#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3g61 n SER 34 N 0.00 0.00 0.00 -1.34 3.41 -1.26 0.12 113.62 114.55 3g61 n SER 34 Ca 0.00 0.00 0.00 0.00 -0.26 0.00 0.00 58.87 58.61 3g61 n SER 34 Cb 0.00 0.00 0.00 0.00 -0.26 0.00 0.00 64.21 63.95 3g61 n SER 34 CO 0.00 0.00 0.00 1.33 -0.16 0.00 0.00 175.04 176.21 3g61 n VAL 35 N -2.57 0.00 -0.03 -3.33 0.24 -1.26 -1.51 118.33 109.86 3g61 n VAL 35 Ca 0.00 0.98 -0.14 0.00 -2.04 0.00 0.00 64.34 63.14 3g61 n VAL 35 Cb 0.00 -1.53 -0.09 0.00 -1.47 0.00 0.00 33.84 30.75 3g61 n VAL 35 CO 0.00 0.00 0.00 0.17 -2.14 0.00 0.00 176.83 174.86 3g61 h LEU 36 N 0.00 0.25 0.00 1.34 8.10 -0.33 -1.98 115.31 122.70 3g61 h LEU 36 Ca 0.00 -0.60 0.00 0.00 0.11 0.00 0.00 57.88 57.39 3g61 h LEU 36 Cb 0.00 -0.07 0.00 0.00 -0.44 0.00 0.00 40.66 40.15 3g61 h LEU 36 CO 0.00 0.81 0.00 0.41 -4.11 0.00 0.00 178.44 175.55 3g61 n THR 37 N -4.59 0.00 -0.32 0.15 -1.04 0.32 0.54 114.28 109.34 3g61 n THR 37 Ca -0.08 1.39 0.13 0.00 -2.04 0.00 0.00 64.05 63.44 3g61 n THR 37 Cb 0.40 -2.38 0.26 0.00 -1.82 0.00 0.00 70.33 66.79 3g61 n THR 37 CO 0.00 0.00 0.00 0.24 -0.64 0.00 0.00 175.07 174.67 3g61 h MET 38 N 0.00 0.04 0.00 -2.82 2.86 -1.31 0.95 114.93 114.65 3g61 h MET 38 Ca 0.00 -0.00 0.00 0.00 -2.06 0.00 0.00 59.70 57.64 3g61 h MET 38 Cb 0.00 -0.01 0.00 0.00 0.06 0.00 0.00 31.60 31.65 3g61 h MET 38 CO 0.00 0.03 0.00 0.34 1.06 0.00 0.00 176.91 178.34 3g61 n PHE 39 N -5.45 0.00 -1.55 -0.22 -0.00 -0.74 -1.77 117.46 107.73 3g61 n PHE 39 Ca 0.21 0.00 -0.42 0.00 -0.00 0.00 0.00 57.45 57.24 3g61 n PHE 39 Cb 0.70 -0.44 -0.02 0.00 -0.00 0.00 0.00 39.48 39.72 3g61 n PHE 39 CO 0.00 0.00 0.00 0.54 -0.00 0.00 0.00 176.76 177.30 3g61 n ARG 40 N -2.32 2.36 -4.37 -4.13 1.74 0.32 -4.88 116.66 105.38 3g61 n ARG 40 Ca 0.00 -2.35 -0.28 0.00 -0.77 0.00 0.00 57.85 54.45 3g61 n ARG 40 Cb 0.00 -3.17 -0.12 0.00 -1.02 0.00 0.00 32.46 28.15 3g61 n ARG 40 CO 0.00 0.00 0.00 1.52 -1.52 0.00 0.00 177.63 177.63 3g61 s TYR 41 N 4.00 2.40 0.00 -1.55 1.13 -0.73 -4.77 117.35 117.83 3g61 s TYR 41 Ca 0.51 -0.33 0.00 0.00 -1.41 0.00 0.00 57.07 55.85 3g61 s TYR 41 Cb 0.14 -1.23 0.00 0.00 -1.10 0.00 0.00 41.96 39.76 3g61 s TYR 41 CO -0.01 0.43 0.00 0.00 -2.51 0.00 0.00 175.55 173.47 3g61 n ALA 42 N 0.52 -3.00 0.00 9.51 0.00 -1.26 -5.00 120.51 121.29 3g61 n ALA 42 Ca -0.14 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.30 3g61 n ALA 42 Cb 0.54 -0.37 0.00 0.00 0.00 0.00 0.00 19.45 19.63 3g61 n ALA 42 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3g61 n GLY 43 N 0.00 1.09 0.00 0.00 0.00 -1.26 -4.76 105.19 100.27 3g61 n GLY 43 Ca 0.00 0.11 0.00 0.00 0.00 0.00 0.00 46.02 46.13 3g61 n GLY 43 CO 0.00 0.00 0.00 1.87 0.00 0.00 0.00 173.32 175.19 3g61 n TRP 44 N 0.00 0.00 0.31 1.61 -0.00 -1.26 -1.50 117.44 116.60 3g61 n TRP 44 Ca 0.00 0.00 0.21 0.00 -0.00 0.00 0.00 57.50 57.71 3g61 n TRP 44 Cb 0.00 0.00 1.12 0.00 -0.00 0.00 0.00 31.31 32.43 3g61 n TRP 44 CO 0.00 0.00 0.00 -0.07 -0.00 0.00 0.00 177.69 177.62 3g61 h LEU 45 N 0.00 0.00 0.84 5.87 -0.00 -1.98 -1.49 115.31 118.54 3g61 h LEU 45 Ca 0.00 0.00 -0.04 0.00 -0.00 0.00 0.00 57.88 57.84 3g61 h LEU 45 Cb 0.00 0.00 0.01 0.00 -0.00 0.00 0.00 40.66 40.67 3g61 h LEU 45 CO 0.00 0.00 -0.41 0.44 -0.00 0.00 0.00 178.44 178.47 3g61 h ASP 46 N 0.00 -0.96 0.16 -0.43 3.45 -1.93 0.58 116.42 117.29 3g61 h ASP 46 Ca 0.00 0.03 0.01 0.00 0.43 0.00 0.00 57.03 57.50 3g61 h ASP 46 Cb 0.02 0.25 -0.04 0.00 -0.56 0.00 0.00 39.33 38.99 3g61 h ASP 46 CO 0.00 -0.66 -0.50 -0.09 -1.57 0.00 0.00 179.24 176.42 3g61 h ARG 47 N -1.18 -0.72 -0.30 3.56 2.43 -0.27 0.32 114.38 118.21 3g61 h ARG 47 Ca -0.12 0.05 0.04 0.00 -0.81 0.00 0.00 59.98 59.14 3g61 h ARG 47 Cb 0.87 0.16 -0.06 0.00 -0.42 0.00 0.00 29.97 30.52 3g61 h ARG 47 CO 0.19 -0.48 -0.43 -0.07 -1.51 0.00 0.00 179.97 177.67 3g61 h LEU 48 N -0.75 -1.43 -0.90 3.80 3.38 -1.32 0.42 115.31 118.52 3g61 h LEU 48 Ca -0.01 0.19 0.14 0.00 0.09 0.00 0.00 57.88 58.28 3g61 h LEU 48 Cb 0.74 0.58 -0.15 0.00 0.09 0.00 0.00 40.66 41.93 3g61 h LEU 48 CO -0.25 -0.31 -0.40 0.22 0.09 0.00 0.00 178.44 177.79 3g61 h TYR 49 N -0.31 -1.14 -0.46 1.13 3.20 0.58 0.22 116.97 120.19 3g61 h TYR 49 Ca 0.05 0.10 0.04 0.00 3.14 0.00 0.00 58.73 62.07 3g61 h TYR 49 Cb 0.46 0.63 -0.06 0.00 1.54 0.00 0.00 36.73 39.30 3g61 h TYR 49 CO -0.69 -0.40 -0.27 -0.12 -1.64 0.00 0.00 178.16 175.04 3g61 n MET 50 N -5.44 -0.20 -0.04 1.82 1.56 0.13 -1.14 117.12 113.80 3g61 n MET 50 Ca 0.08 1.22 -0.04 0.00 -0.27 0.00 0.00 57.70 58.69 3g61 n MET 50 Cb 0.38 -1.81 -0.03 0.00 2.15 0.00 0.00 33.22 33.90 3g61 n MET 50 CO 0.00 0.00 0.00 -0.07 -0.73 0.00 0.00 175.97 175.17 3g61 h LEU 51 N 0.00 -0.58 0.00 -0.89 3.38 0.12 -1.71 115.31 115.63 3g61 h LEU 51 Ca 0.07 0.08 0.00 0.00 0.09 0.00 0.00 57.88 58.12 3g61 h LEU 51 Cb 0.19 0.24 0.00 0.00 0.09 0.00 0.00 40.66 41.18 3g61 h LEU 51 CO -0.43 -0.12 0.00 0.52 0.09 0.00 0.00 178.44 178.49 3g61 n VAL 52 N -3.54 0.00 -0.34 1.22 0.31 -0.29 0.10 118.33 115.80 3g61 n VAL 52 Ca -0.01 0.49 0.05 0.00 -0.01 0.00 0.00 64.34 64.86 3g61 n VAL 52 Cb 0.11 -0.71 0.12 0.00 -0.91 0.00 0.00 33.84 32.45 3g61 n VAL 52 CO 0.00 0.00 0.00 0.61 -1.32 0.00 0.00 176.83 176.12 3g61 n GLY 53 N -0.78 -1.60 0.33 2.92 0.00 -0.68 0.14 105.19 105.52 3g61 n GLY 53 Ca 0.00 1.00 -0.03 0.00 0.00 0.00 0.00 46.02 46.99 3g61 n GLY 53 CO 0.00 0.00 0.00 -0.84 0.00 0.00 0.00 173.32 172.48 3g61 h THR 54 N 0.00 0.19 -0.53 2.61 2.02 0.17 0.67 112.91 118.03 3g61 h THR 54 Ca 0.44 0.00 0.10 0.00 0.77 0.00 0.00 66.41 67.72 3g61 h THR 54 Cb 0.67 0.19 -0.11 0.00 -1.74 0.00 0.00 68.15 67.16 3g61 h THR 54 CO -0.96 0.00 -0.27 0.25 0.37 0.00 0.00 175.52 174.91 3g61 h LEU 55 N -0.11 -0.94 -0.61 2.58 6.46 0.23 0.26 115.31 123.18 3g61 h LEU 55 Ca 0.27 0.20 0.06 0.00 -0.12 0.00 0.00 57.88 58.29 3g61 h LEU 55 Cb 0.55 0.49 -0.09 0.00 -0.73 0.00 0.00 40.66 40.88 3g61 h LEU 55 CO -0.71 -0.28 -0.49 0.00 -0.62 0.00 0.00 178.44 176.33 3g61 h ALA 56 N 1.12 -0.59 -0.35 1.25 0.00 0.96 -1.50 119.26 120.15 3g61 h ALA 56 Ca 0.23 0.05 0.03 0.00 0.00 0.00 0.00 54.91 55.23 3g61 h ALA 56 Cb 0.52 1.20 -0.04 0.00 0.00 0.00 0.00 17.79 19.47 3g61 h ALA 56 CO -0.62 -0.89 -0.21 0.00 0.00 0.00 0.00 179.25 177.54 3g61 h ALA 57 N 0.04 -0.19 -0.70 0.00 0.00 0.49 0.13 119.26 119.02 3g61 h ALA 57 Ca 0.10 0.04 0.06 0.00 0.00 0.00 0.00 54.91 55.12 3g61 h ALA 57 Cb 0.43 1.13 -0.08 0.00 0.00 0.00 0.00 17.79 19.26 3g61 h ALA 57 CO -0.66 -0.34 -0.41 -0.89 0.00 0.00 0.00 179.25 176.94 3g61 n ILE 58 N -3.78 -0.48 -0.34 0.00 -0.00 -0.64 0.27 119.36 114.39 3g61 n ILE 58 Ca 0.01 1.88 0.20 0.00 -0.00 0.00 0.00 62.75 64.84 3g61 n ILE 58 Cb 0.09 -2.35 0.42 0.00 -0.00 0.00 0.00 39.64 37.80 3g61 n ILE 58 CO 0.00 0.00 0.00 0.16 -0.00 0.00 0.00 176.55 176.71 3g61 h ILE 59 N 0.00 0.47 0.70 1.39 -0.00 0.13 -0.89 117.51 119.31 3g61 h ILE 59 Ca 0.11 -0.17 -0.03 0.00 -0.00 0.00 0.00 64.86 64.77 3g61 h ILE 59 Cb 0.29 -0.08 0.00 0.00 -0.00 0.00 0.00 36.82 37.03 3g61 h ILE 59 CO -0.66 0.09 -0.38 -0.74 -0.00 0.00 0.00 178.15 176.46 3g61 h HIS 60 N 0.50 -0.99 -0.26 0.16 2.76 0.54 0.63 115.15 118.49 3g61 h HIS 60 Ca 0.67 -0.02 0.06 0.00 -2.20 0.00 0.00 60.37 58.88 3g61 h HIS 60 Cb 1.37 0.34 -0.08 0.00 1.55 0.00 0.00 27.41 30.59 3g61 h HIS 60 CO -0.01 -0.59 -0.30 0.78 -1.30 0.00 0.00 177.93 176.52 3g61 h GLY 61 N -1.00 -0.28 0.47 5.26 0.00 -0.21 1.10 103.07 108.41 3g61 h GLY 61 Ca -0.09 0.37 0.20 0.00 0.00 0.00 0.00 47.33 47.80 3g61 h GLY 61 CO 0.13 -0.21 0.55 -2.08 0.00 0.00 0.00 176.54 174.93 3g61 h VAL 62 N -0.30 0.69 -0.43 4.60 2.07 -1.10 -0.88 116.25 120.90 3g61 h VAL 62 Ca 0.14 -0.09 0.06 0.00 0.82 0.00 0.00 66.70 67.63 3g61 h VAL 62 Cb 0.51 0.41 -0.05 0.00 -1.52 0.00 0.00 31.29 30.64 3g61 h VAL 62 CO -0.43 0.05 0.13 0.00 0.02 0.00 0.00 177.57 177.34 3g61 h ALA 63 N 1.63 0.49 -0.18 1.67 0.00 0.72 -1.95 119.26 121.64 3g61 h ALA 63 Ca 0.40 0.06 -0.14 0.00 0.00 0.00 0.00 54.91 55.23 3g61 h ALA 63 Cb 1.19 0.06 -0.01 0.00 0.00 0.00 0.00 17.79 19.03 3g61 h ALA 63 CO -0.10 -0.27 -0.50 -0.07 0.00 0.00 0.00 179.25 178.31 3g61 h LEU 64 N 0.28 0.52 -0.25 0.00 -0.00 -0.66 -1.60 115.31 113.60 3g61 h LEU 64 Ca 0.20 -0.26 -0.14 0.00 -0.00 0.00 0.00 57.88 57.68 3g61 h LEU 64 Cb 0.21 -0.15 -0.00 0.00 -0.00 0.00 0.00 40.66 40.72 3g61 h LEU 64 CO -0.23 0.93 -0.41 1.55 -0.00 0.00 0.00 178.44 180.29 3g61 h PRO 65 N 0.38 0.72 -1.01 1.13 0.13 -1.26 -0.46 132.00 131.62 3g61 h PRO 65 Ca 0.02 -0.44 0.25 0.00 -0.87 0.00 0.00 66.00 64.96 3g61 h PRO 65 Cb 1.01 0.04 -0.09 0.00 0.13 0.00 0.00 31.00 32.10 3g61 h PRO 65 CO 0.09 1.06 0.66 -0.07 -0.23 0.00 0.00 178.00 179.51 3g61 h LEU 66 N 0.44 0.43 -0.91 1.56 3.38 -1.38 3.01 115.31 121.84 3g61 h LEU 66 Ca 0.02 0.07 0.14 0.00 0.09 0.00 0.00 57.88 58.20 3g61 h LEU 66 Cb 1.00 -0.00 -0.09 0.00 0.09 0.00 0.00 40.66 41.66 3g61 h LEU 66 CO 0.09 0.11 0.53 -0.03 0.09 0.00 0.00 178.44 179.23 3g61 h MET 67 N 0.40 0.75 -0.10 1.13 4.05 -0.08 0.45 114.93 121.52 3g61 h MET 67 Ca 0.56 -0.05 -0.11 0.00 -0.28 0.00 0.00 59.70 59.83 3g61 h MET 67 Cb 1.43 -0.17 -0.01 0.00 -0.80 0.00 0.00 31.60 32.05 3g61 h MET 67 CO -0.26 0.50 -0.44 0.52 0.23 0.00 0.00 176.91 177.45 3g61 h MET 68 N 0.78 0.23 -0.18 0.39 2.86 0.65 -2.15 114.93 117.51 3g61 h MET 68 Ca 0.48 -0.12 0.00 0.00 -2.06 0.00 0.00 59.70 58.01 3g61 h MET 68 Cb 0.60 0.00 -0.01 0.00 0.06 0.00 0.00 31.60 32.26 3g61 h MET 68 CO -0.32 0.64 0.11 1.25 1.06 0.00 0.00 176.91 179.65 3g61 h LEU 69 N 0.19 0.19 -0.64 1.22 5.85 0.03 -0.31 115.31 121.83 3g61 h LEU 69 Ca 0.01 -0.00 0.13 0.00 0.84 0.00 0.00 57.88 58.87 3g61 h LEU 69 Cb 0.86 -0.04 -0.10 0.00 0.37 0.00 0.00 40.66 41.74 3g61 h LEU 69 CO 0.07 0.14 0.05 0.40 -0.34 0.00 0.00 178.44 178.76 3g61 h ILE 70 N 0.23 0.51 -0.93 4.05 2.04 -1.05 2.47 117.51 124.83 3g61 h ILE 70 Ca 0.07 -0.06 0.18 0.00 1.00 0.00 0.00 64.86 66.05 3g61 h ILE 70 Cb -0.02 0.33 -0.17 0.00 -0.74 0.00 0.00 36.82 36.22 3g61 h ILE 70 CO -0.02 0.03 -0.25 0.15 0.00 0.00 0.00 178.15 178.06 3g61 h PHE 71 N 0.16 -0.57 0.00 1.37 -0.00 -0.44 -1.72 116.94 115.75 3g61 h PHE 71 Ca 0.34 0.09 0.00 0.00 -0.00 0.00 0.00 57.97 58.40 3g61 h PHE 71 Cb 0.56 0.39 0.00 0.00 -0.00 0.00 0.00 35.95 36.91 3g61 h PHE 71 CO -0.33 -0.40 0.00 0.41 -0.00 0.00 0.00 178.31 177.98 3g61 n GLY 72 N -1.58 -1.42 0.01 2.40 0.00 0.83 -1.38 105.19 104.05 3g61 n GLY 72 Ca 0.14 0.00 -0.00 0.00 0.00 0.00 0.00 46.02 46.16 3g61 n GLY 72 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 3g61 n ASP 73 N 0.00 -0.02 -0.17 1.61 10.43 -0.76 0.25 116.55 127.88 3g61 n ASP 73 Ca 0.00 0.06 -0.08 0.00 2.57 0.00 0.00 54.79 57.33 3g61 n ASP 73 Cb 0.00 -0.01 0.01 0.00 1.84 0.00 0.00 41.12 42.96 3g61 n ASP 73 CO 0.00 0.00 0.00 0.00 -1.07 0.00 0.00 177.20 176.13 3g61 h MET 74 N 0.00 0.77 0.00 -1.24 -0.00 -1.36 -1.94 114.93 111.16 3g61 h MET 74 Ca 0.01 -0.16 -0.06 0.00 -0.00 0.00 0.00 59.70 59.49 3g61 h MET 74 Cb 0.02 -0.11 -0.01 0.00 -0.00 0.00 0.00 31.60 31.50 3g61 h MET 74 CO -0.03 0.71 -0.29 1.15 -0.00 0.00 0.00 176.91 178.45 3g61 h THR 75 N 0.67 0.77 0.31 -0.10 2.02 0.46 -1.57 112.91 115.47 3g61 h THR 75 Ca 0.16 -1.21 -0.02 0.00 0.77 0.00 0.00 66.41 66.12 3g61 h THR 75 Cb 0.25 1.76 0.00 0.00 -1.74 0.00 0.00 68.15 68.42 3g61 h THR 75 CO -0.01 0.28 -0.15 -0.78 0.37 0.00 0.00 175.52 175.24 3g61 h ASP 76 N 0.00 -0.35 -0.50 4.18 3.58 -0.82 -0.81 116.42 121.69 3g61 h ASP 76 Ca -0.00 -0.18 0.07 0.00 0.42 0.00 0.00 57.03 57.34 3g61 h ASP 76 Cb 0.73 0.09 -0.03 0.00 1.72 0.00 0.00 39.33 41.85 3g61 h ASP 76 CO 0.04 0.10 0.34 0.28 -2.88 0.00 0.00 179.24 177.12 3g61 h SER 77 N -0.94 0.35 -0.71 2.28 0.02 -1.35 0.92 113.55 114.12 3g61 h SER 77 Ca -0.04 0.00 -0.02 0.00 -0.84 0.00 0.00 61.79 60.89 3g61 h SER 77 Cb 0.51 -0.07 -0.03 0.00 0.14 0.00 0.00 62.40 62.94 3g61 h SER 77 CO 0.07 0.23 0.36 0.15 -1.14 0.00 0.00 176.83 176.49 3g61 h PHE 78 N 0.40 1.02 -0.35 3.45 3.57 -1.17 -1.87 116.94 121.98 3g61 h PHE 78 Ca 0.22 -0.04 -0.02 0.00 3.53 0.00 0.00 57.97 61.66 3g61 h PHE 78 Cb 0.37 -0.32 -0.02 0.00 2.79 0.00 0.00 35.95 38.77 3g61 h PHE 78 CO -0.00 0.74 0.13 0.00 -2.23 0.00 0.00 178.31 176.95 3g61 h ALA 79 N 1.18 0.46 -0.91 2.41 0.00 0.67 -1.90 119.26 121.16 3g61 h ALA 79 Ca 0.25 -0.14 0.02 0.00 0.00 0.00 0.00 54.91 55.04 3g61 h ALA 79 Cb 0.09 -0.14 -0.05 0.00 0.00 0.00 0.00 17.79 17.70 3g61 h ALA 79 CO -0.03 0.07 0.60 0.77 0.00 0.00 0.00 179.25 180.65 3g61 h SER 80 N 0.42 1.02 0.64 0.00 0.02 -1.10 0.44 113.55 114.99 3g61 h SER 80 Ca 0.12 -0.02 0.00 0.00 -0.84 0.00 0.00 61.79 61.05 3g61 h SER 80 Cb 0.20 -0.24 0.00 0.00 0.14 0.00 0.00 62.40 62.50 3g61 h SER 80 CO -0.01 0.72 0.00 0.58 -1.14 0.00 0.00 176.83 176.98 3g61 h VAL 81 N 1.20 0.00 0.00 2.27 2.07 -1.09 -1.89 116.25 118.80 3g61 h VAL 81 Ca 0.35 -0.31 -0.21 0.00 0.82 0.00 0.00 66.70 67.34 3g61 h VAL 81 Cb -0.08 1.27 -0.03 0.00 -1.52 0.00 0.00 31.29 30.93 3g61 h VAL 81 CO -0.09 0.00 -1.04 1.23 0.02 0.00 0.00 177.57 177.68 3g61 h GLY 82 N 1.33 0.00 1.04 2.17 0.00 0.66 -2.00 103.07 106.27 3g61 h GLY 82 Ca 0.00 0.00 -0.16 0.00 0.00 0.00 0.00 47.33 47.17 3g61 h GLY 82 CO 0.00 0.00 -1.36 -0.57 0.00 0.00 0.00 176.54 174.61 3g61 h ASN 83 N 0.00 0.00 1.11 0.19 -0.00 -0.90 -1.65 115.58 114.33 3g61 h ASN 83 Ca -0.03 0.00 -0.17 0.00 -0.00 0.00 0.00 56.30 56.10 3g61 h ASN 83 Cb 1.78 0.00 -0.03 0.00 -0.00 0.00 0.00 38.32 40.08 3g61 h ASN 83 CO 0.12 0.57 -0.93 0.58 -0.00 0.00 0.00 177.43 177.77 3g61 h VAL 84 N 0.00 1.07 0.00 2.57 2.07 -1.47 -1.89 116.25 118.60 3g61 h VAL 84 Ca -0.15 -2.61 0.00 0.00 0.82 0.00 0.00 66.70 64.75 3g61 h VAL 84 Cb 1.57 2.49 0.00 0.00 -1.52 0.00 0.00 31.29 33.83 3g61 h VAL 84 CO 0.05 0.61 -0.68 0.28 0.02 0.00 0.00 177.57 177.85 3g61 h SER 85 N 0.00 0.00 1.15 0.57 0.02 -1.45 -3.28 113.55 110.56 3g61 h SER 85 Ca -0.06 -0.00 -0.06 0.00 -0.84 0.00 0.00 61.79 60.83 3g61 h SER 85 Cb 1.60 0.00 -0.01 0.00 0.14 0.00 0.00 62.40 64.13 3g61 h SER 85 CO 0.08 0.00 -0.88 0.50 -1.14 0.00 0.00 176.83 175.39 3g61 h LYS 86 N 0.00 0.00 0.60 3.45 1.63 -1.29 -3.34 116.57 117.63 3g61 h LYS 86 Ca 0.00 0.00 -0.03 0.00 -0.85 0.00 0.00 60.65 59.77 3g61 h LYS 86 Cb 1.00 0.00 0.01 0.00 -0.60 0.00 0.00 32.23 32.64 3g61 h LYS 86 CO 0.00 0.15 -0.29 -0.97 -3.45 0.00 0.00 179.45 174.89 3g61 h ASN 87 N 0.00 -0.68 0.00 4.20 -0.00 -1.42 -3.45 115.58 114.23 3g61 h ASN 87 Ca -0.05 0.02 0.00 0.00 -0.00 0.00 0.00 56.30 56.27 3g61 h ASN 87 Cb 1.22 0.18 0.00 0.00 -0.00 0.00 0.00 38.32 39.72 3g61 h ASN 87 CO 0.02 -0.28 0.00 -0.24 -0.00 0.00 0.00 177.43 176.93 3g61 n SER 88 N -5.31 0.00 -3.86 1.15 2.88 -1.24 -4.78 113.62 102.47 3g61 n SER 88 Ca -0.10 0.00 -0.42 0.00 -1.33 0.00 0.00 58.87 57.02 3g61 n SER 88 Cb 0.32 -0.22 0.01 0.00 -0.75 0.00 0.00 64.21 63.56 3g61 n SER 88 CO 0.00 0.00 0.00 0.35 -1.23 0.00 0.00 175.04 174.16 3g61 n THR 89 N -0.45 4.98 0.00 2.46 -2.24 -1.26 -4.81 114.28 112.97 3g61 n THR 89 Ca 0.00 -5.13 0.00 0.00 -2.27 0.00 0.00 64.05 56.65 3g61 n THR 89 Cb 0.00 -2.15 0.00 0.00 -2.10 0.00 0.00 70.33 66.08 3g61 n THR 89 CO 0.00 0.00 0.00 0.59 -0.57 0.00 0.00 175.07 175.09 3g61 n ASN 90 N 2.31 0.94 -4.63 3.42 3.02 -1.26 -5.14 115.26 113.92 3g61 n ASN 90 Ca 0.37 0.00 -0.45 0.00 -0.03 0.00 0.00 54.58 54.48 3g61 n ASN 90 Cb 0.33 0.00 -0.02 0.00 -0.61 0.00 0.00 39.78 39.48 3g61 n ASN 90 CO 0.00 0.00 0.00 0.23 -2.62 0.00 0.00 177.26 174.87 3g61 n MET 91 N 0.00 1.67 -0.08 3.52 0.00 -1.26 -4.91 117.12 116.06 3g61 n MET 91 Ca 0.00 0.59 -0.11 0.00 0.00 0.00 0.00 57.70 58.18 3g61 n MET 91 Cb 0.00 -2.08 -0.09 0.00 0.00 0.00 0.00 33.22 31.04 3g61 n MET 91 CO 0.00 0.00 0.00 0.45 0.00 0.00 0.00 175.97 176.42 3g61 n SER 92 N 1.37 2.32 -0.02 7.83 2.88 -1.26 -4.27 113.62 122.47 3g61 n SER 92 Ca 0.09 -0.07 -0.17 0.00 -1.33 0.00 0.00 58.87 57.39 3g61 n SER 92 Cb 0.32 0.02 -0.07 0.00 -0.75 0.00 0.00 64.21 63.73 3g61 n SER 92 CO 0.00 0.00 0.00 1.05 -1.23 0.00 0.00 175.04 174.86 3g61 h GLU 93 N 0.00 0.78 0.00 -1.46 9.09 -1.99 -2.04 114.58 118.96 3g61 h GLU 93 Ca -0.39 -0.65 -0.00 0.00 0.05 0.00 0.00 59.36 58.36 3g61 h GLU 93 Cb 1.69 0.14 -0.00 0.00 -1.65 0.00 0.00 28.75 28.93 3g61 h GLU 93 CO -0.04 1.25 -0.00 0.00 0.05 0.00 0.00 179.01 180.27 3g61 h ALA 94 N 0.56 1.03 0.07 1.06 0.00 -1.97 0.51 119.26 120.51 3g61 h ALA 94 Ca -0.06 -0.00 -0.30 0.00 0.00 0.00 0.00 54.91 54.55 3g61 h ALA 94 Cb 1.43 -0.00 -0.02 0.00 0.00 0.00 0.00 17.79 19.20 3g61 h ALA 94 CO 0.16 0.00 -1.59 -0.44 0.00 0.00 0.00 179.25 177.39 3g61 h ASP 95 N 0.00 0.24 0.48 0.00 3.45 -1.70 -1.93 116.42 116.96 3g61 h ASP 95 Ca -0.00 -0.38 -0.02 0.00 0.43 0.00 0.00 57.03 57.06 3g61 h ASP 95 Cb 0.11 -0.08 -0.01 0.00 -0.56 0.00 0.00 39.33 38.79 3g61 h ASP 95 CO 0.00 1.33 -0.40 0.11 -1.57 0.00 0.00 179.24 178.71 3g61 h LYS 96 N 0.04 -0.82 0.70 3.56 1.57 -0.19 -1.61 116.57 119.82 3g61 h LYS 96 Ca -0.26 0.06 -0.03 0.00 -1.87 0.00 0.00 60.65 58.55 3g61 h LYS 96 Cb 1.99 0.19 0.01 0.00 0.08 0.00 0.00 32.23 34.49 3g61 h LYS 96 CO 0.12 -0.55 -0.34 0.00 -0.57 0.00 0.00 179.45 178.12 3g61 h ARG 97 N -0.85 -0.90 -0.26 3.15 3.08 -1.47 -1.62 114.38 115.50 3g61 h ARG 97 Ca -0.06 0.06 0.06 0.00 0.07 0.00 0.00 59.98 60.11 3g61 h ARG 97 Cb 0.72 0.21 -0.06 0.00 0.08 0.00 0.00 29.97 30.91 3g61 h ARG 97 CO -0.00 -0.58 -0.13 0.00 -1.07 0.00 0.00 179.97 178.19 3g61 h ALA 98 N -0.81 0.08 0.00 0.04 0.00 -1.43 0.24 119.26 117.38 3g61 h ALA 98 Ca -0.10 0.10 -0.12 0.00 0.00 0.00 0.00 54.91 54.80 3g61 h ALA 98 Cb 0.74 0.31 -0.02 0.00 0.00 0.00 0.00 17.79 18.83 3g61 h ALA 98 CO 0.16 -0.53 -0.55 0.52 0.00 0.00 0.00 179.25 178.84 3g61 h MET 99 N -0.09 0.00 0.02 0.00 2.86 -1.38 -1.74 114.93 114.59 3g61 h MET 99 Ca 0.14 0.00 -0.14 0.00 -2.06 0.00 0.00 59.70 57.64 3g61 h MET 99 Cb 0.30 0.00 0.01 0.00 0.06 0.00 0.00 31.60 31.97 3g61 h MET 99 CO -0.32 0.55 -0.55 0.35 1.06 0.00 0.00 176.91 178.00 3g61 h PHE 100 N 0.00 0.51 -0.85 -0.22 3.04 -1.02 -1.75 116.94 116.65 3g61 h PHE 100 Ca -0.01 -0.29 0.12 0.00 3.98 0.00 0.00 57.97 61.77 3g61 h PHE 100 Cb 1.05 -0.05 -0.06 0.00 2.56 0.00 0.00 35.95 39.45 3g61 h PHE 100 CO 0.00 1.13 0.55 0.00 -2.02 0.00 0.00 178.31 177.97 3g61 h ALA 101 N 0.26 1.82 -0.16 2.41 0.00 -0.46 0.34 119.26 123.46 3g61 h ALA 101 Ca -0.08 0.01 -0.13 0.00 0.00 0.00 0.00 54.91 54.71 3g61 h ALA 101 Cb 1.30 -0.14 -0.01 0.00 0.00 0.00 0.00 17.79 18.94 3g61 h ALA 101 CO 0.11 -0.02 -0.45 0.87 0.00 0.00 0.00 179.25 179.75 3g61 h LYS 102 N 0.70 0.40 0.00 0.00 1.79 -1.22 -1.67 116.57 116.57 3g61 h LYS 102 Ca 0.41 -0.21 0.00 0.00 -2.18 0.00 0.00 60.65 58.67 3g61 h LYS 102 Cb 0.62 0.01 0.00 0.00 -1.58 0.00 0.00 32.23 31.27 3g61 h LYS 102 CO -0.17 0.77 0.00 -0.11 -1.08 0.00 0.00 179.45 178.86 3g61 n LEU 103 N -4.00 0.10 0.18 2.94 7.94 0.11 -1.56 117.00 122.71 3g61 n LEU 103 Ca -0.02 0.75 0.18 0.00 -1.11 0.00 0.00 56.01 55.81 3g61 n LEU 103 Cb 0.53 -0.29 0.81 0.00 0.53 0.00 0.00 43.42 45.00 3g61 n LEU 103 CO 0.44 -0.29 1.15 1.05 -1.11 0.00 0.00 177.39 178.64 3g61 h GLU 104 N 0.00 0.00 0.51 1.96 4.11 -1.44 0.17 114.58 119.89 3g61 h GLU 104 Ca 0.00 0.00 -0.02 0.00 0.07 0.00 0.00 59.36 59.41 3g61 h GLU 104 Cb 0.00 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.25 3g61 h GLU 104 CO 0.00 0.00 -0.24 1.49 0.07 0.00 0.00 179.01 180.33 3g61 h GLU 105 N 0.00 -0.66 0.00 1.06 4.22 -1.25 -1.89 114.58 116.06 3g61 h GLU 105 Ca 0.11 0.04 -0.07 0.00 0.08 0.00 0.00 59.36 59.53 3g61 h GLU 105 Cb 0.62 0.15 -0.01 0.00 0.50 0.00 0.00 28.75 30.01 3g61 h GLU 105 CO -0.00 -0.36 -0.32 1.49 -2.18 0.00 0.00 179.01 177.64 3g61 h GLU 106 N -0.89 0.00 -0.62 1.92 4.57 -0.57 -2.05 114.58 116.95 3g61 h GLU 106 Ca -0.07 0.00 0.02 0.00 -1.18 0.00 0.00 59.36 58.13 3g61 h GLU 106 Cb 0.60 0.00 -0.03 0.00 -0.16 0.00 0.00 28.75 29.16 3g61 h GLU 106 CO 0.11 0.32 0.41 1.98 -1.18 0.00 0.00 179.01 180.65 3g61 h MET 107 N 0.00 0.77 -0.03 1.92 4.05 -0.57 1.10 114.93 122.17 3g61 h MET 107 Ca -0.00 -0.05 -0.04 0.00 -0.28 0.00 0.00 59.70 59.33 3g61 h MET 107 Cb 0.97 -0.17 0.00 0.00 -0.80 0.00 0.00 31.60 31.59 3g61 h MET 107 CO 0.04 0.51 -0.13 1.15 0.23 0.00 0.00 176.91 178.71 3g61 h THR 108 N 0.80 1.49 -0.66 -0.77 2.02 -1.10 -2.13 112.91 112.56 3g61 h THR 108 Ca 0.24 -1.63 0.15 0.00 0.77 0.00 0.00 66.41 65.94 3g61 h THR 108 Cb -0.03 2.48 -0.04 0.00 -1.74 0.00 0.00 68.15 68.83 3g61 h THR 108 CO -0.06 0.44 0.45 0.74 0.37 0.00 0.00 175.52 177.47 3g61 h THR 109 N -0.45 0.77 0.50 3.16 2.02 -0.37 -1.73 112.91 116.82 3g61 h THR 109 Ca -0.01 -0.08 -0.02 0.00 0.77 0.00 0.00 66.41 67.06 3g61 h THR 109 Cb 0.79 0.51 0.00 0.00 -1.74 0.00 0.00 68.15 67.72 3g61 h THR 109 CO 0.03 0.04 -0.24 1.88 0.37 0.00 0.00 175.52 177.60 3g61 h TYR 110 N 0.24 -0.63 -0.28 3.16 0.05 0.12 -1.58 116.97 118.06 3g61 h TYR 110 Ca 0.32 -0.01 0.03 0.00 0.05 0.00 0.00 58.73 59.11 3g61 h TYR 110 Cb 0.91 0.21 -0.05 0.00 1.01 0.00 0.00 36.73 38.81 3g61 h TYR 110 CO -0.00 -0.39 -0.30 0.00 -1.05 0.00 0.00 178.16 176.41 3g61 h ALA 111 N -1.24 -0.51 -0.71 3.88 0.00 -0.87 0.18 119.26 119.99 3g61 h ALA 111 Ca -0.07 0.01 0.19 0.00 0.00 0.00 0.00 54.91 55.04 3g61 h ALA 111 Cb 0.52 0.99 -0.03 0.00 0.00 0.00 0.00 17.79 19.26 3g61 h ALA 111 CO 0.11 -0.67 0.50 1.88 0.00 0.00 0.00 179.25 181.07 3g61 h TYR 112 N -0.17 0.13 0.41 0.00 0.99 -1.45 0.11 116.97 116.99 3g61 h TYR 112 Ca 0.05 0.00 -0.02 0.00 2.00 0.00 0.00 58.73 60.76 3g61 h TYR 112 Cb 0.30 -0.04 0.00 0.00 1.00 0.00 0.00 36.73 37.99 3g61 h TYR 112 CO -0.73 0.04 -0.19 0.10 -0.00 0.00 0.00 178.16 177.38 3g61 h TYR 113 N 0.11 -0.50 -0.36 4.88 -0.00 0.37 -1.70 116.97 119.77 3g61 h TYR 113 Ca 0.34 -0.01 -0.07 0.00 0.00 0.00 0.00 58.73 59.00 3g61 h TYR 113 Cb 1.20 0.17 -0.01 0.00 0.00 0.00 0.00 36.73 38.09 3g61 h TYR 113 CO -0.00 -0.21 -0.03 0.10 -0.00 0.00 0.00 178.16 178.02 3g61 h TYR 114 N -1.04 0.72 -0.43 0.10 -0.00 -1.09 -1.67 116.97 113.56 3g61 h TYR 114 Ca -0.06 -0.14 0.05 0.00 -0.00 0.00 0.00 58.73 58.59 3g61 h TYR 114 Cb 0.52 -0.18 -0.08 0.00 -0.00 0.00 0.00 36.73 37.00 3g61 h TYR 114 CO 0.02 0.77 -0.49 1.15 -0.00 0.00 0.00 178.16 179.62 3g61 h THR 115 N 0.46 0.00 0.00 -0.90 2.02 -0.86 0.93 112.91 114.56 3g61 h THR 115 Ca 0.10 0.00 0.00 0.00 0.77 0.00 0.00 66.41 67.28 3g61 h THR 115 Cb 0.51 0.00 0.00 0.00 -1.74 0.00 0.00 68.15 66.92 3g61 h THR 115 CO 0.02 0.00 0.00 0.61 0.37 0.00 0.00 175.52 176.52 3g61 n GLY 116 N -1.31 -3.20 0.36 2.16 0.00 -0.64 -1.71 105.19 100.86 3g61 n GLY 116 Ca -0.02 0.33 0.02 0.00 0.00 0.00 0.00 46.02 46.34 3g61 n GLY 116 CO 0.00 0.00 0.00 1.39 0.00 0.00 0.00 173.32 174.71 3g61 n ILE 117 N -0.95 -0.47 0.00 -0.61 2.08 -0.65 -2.04 119.36 116.73 3g61 n ILE 117 Ca 0.00 2.25 0.00 0.00 0.56 0.00 0.00 62.75 65.56 3g61 n ILE 117 Cb 0.00 -3.04 0.00 0.00 -0.75 0.00 0.00 39.64 35.85 3g61 n ILE 117 CO 0.00 0.00 0.00 0.61 0.56 0.00 0.00 176.55 177.72 3g61 n GLY 118 N -1.53 -2.26 0.21 7.39 0.00 0.32 -0.40 105.19 108.93 3g61 n GLY 118 Ca 0.12 0.11 0.08 0.00 0.00 0.00 0.00 46.02 46.34 3g61 n GLY 118 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3g61 n ALA 119 N -2.08 0.29 0.00 4.61 0.00 -0.70 0.28 120.51 122.91 3g61 n ALA 119 Ca 0.00 0.66 -0.02 0.00 0.00 0.00 0.00 53.44 54.08 3g61 n ALA 119 Cb 0.00 -0.47 -0.01 0.00 0.00 0.00 0.00 19.45 18.97 3g61 n ALA 119 CO 0.00 0.00 0.00 0.78 0.00 0.00 0.00 177.50 178.28 3g61 h GLY 120 N 0.00 -1.48 -0.59 0.00 0.00 -1.29 -0.28 103.07 99.45 3g61 h GLY 120 Ca 0.36 0.66 0.05 0.00 0.00 0.00 0.00 47.33 48.40 3g61 h GLY 120 CO -0.58 -0.54 -0.35 3.33 0.00 0.00 0.00 176.54 178.40 3g61 n VAL 121 N -2.86 -0.40 -0.38 4.60 0.24 0.80 0.81 118.33 121.14 3g61 n VAL 121 Ca -0.01 1.81 -0.06 0.00 -2.04 0.00 0.00 64.34 64.04 3g61 n VAL 121 Cb 0.04 -2.28 -0.03 0.00 -1.47 0.00 0.00 33.84 30.10 3g61 n VAL 121 CO 0.00 0.00 0.00 0.25 -2.14 0.00 0.00 176.83 174.94 3g61 h LEU 122 N 0.00 -1.77 0.65 1.34 5.85 -0.77 -1.06 115.31 119.54 3g61 h LEU 122 Ca 0.09 0.31 -0.03 0.00 0.84 0.00 0.00 57.88 59.10 3g61 h LEU 122 Cb 0.24 0.84 -0.01 0.00 0.37 0.00 0.00 40.66 42.11 3g61 h LEU 122 CO -0.55 -0.27 -0.40 0.40 -0.34 0.00 0.00 178.44 177.28 3g61 h ILE 123 N -0.02 0.19 -0.19 4.05 1.08 0.22 -2.33 117.51 120.51 3g61 h ILE 123 Ca 0.25 0.00 0.02 0.00 -0.39 0.00 0.00 64.86 64.73 3g61 h ILE 123 Cb 0.51 0.19 -0.02 0.00 -3.07 0.00 0.00 36.82 34.43 3g61 h ILE 123 CO -0.94 0.00 0.07 -0.37 -0.69 0.00 0.00 178.15 176.22 3g61 h VAL 124 N -0.99 0.96 -0.41 1.67 -1.51 -0.48 -1.71 116.25 113.78 3g61 h VAL 124 Ca -0.08 -0.06 0.08 0.00 -1.23 0.00 0.00 66.70 65.41 3g61 h VAL 124 Cb 0.80 0.79 -0.07 0.00 -2.13 0.00 0.00 31.29 30.68 3g61 h VAL 124 CO 0.08 0.03 -0.00 0.00 -1.23 0.00 0.00 177.57 176.45 3g61 h ALA 125 N 1.11 0.38 -0.27 5.19 0.00 -1.25 -0.55 119.26 123.87 3g61 h ALA 125 Ca 0.08 0.12 0.06 0.00 0.00 0.00 0.00 54.91 55.17 3g61 h ALA 125 Cb 0.05 0.21 -0.07 0.00 0.00 0.00 0.00 17.79 17.97 3g61 h ALA 125 CO -0.08 -0.39 -0.17 -0.92 0.00 0.00 0.00 179.25 177.69 3g61 h TYR 126 N 0.11 -0.43 0.11 0.00 3.20 -1.02 -1.55 116.97 117.39 3g61 h TYR 126 Ca 0.20 0.03 0.01 0.00 3.14 0.00 0.00 58.73 62.12 3g61 h TYR 126 Cb 0.29 0.23 -0.04 0.00 1.54 0.00 0.00 36.73 38.76 3g61 h TYR 126 CO -0.28 -0.25 -0.46 0.82 -1.64 0.00 0.00 178.16 176.36 3g61 h ILE 127 N -0.15 0.00 -0.18 1.81 1.08 -0.23 -2.27 117.51 117.57 3g61 h ILE 127 Ca 0.15 0.00 0.05 0.00 -0.39 0.00 0.00 64.86 64.67 3g61 h ILE 127 Cb 0.37 0.00 -0.07 0.00 -3.07 0.00 0.00 36.82 34.06 3g61 h ILE 127 CO -0.36 0.00 -0.29 0.06 -0.69 0.00 0.00 178.15 176.87 3g61 h GLN 128 N -0.65 -0.33 -0.84 2.37 3.07 -1.03 0.97 115.11 118.67 3g61 h GLN 128 Ca -0.01 0.02 0.21 0.00 0.09 0.00 0.00 58.65 58.97 3g61 h GLN 128 Cb 0.66 0.07 -0.14 0.00 0.08 0.00 0.00 27.48 28.15 3g61 h GLN 128 CO -0.24 -0.22 0.15 0.28 0.09 0.00 0.00 178.83 178.89 3g61 h VAL 129 N -0.34 0.32 -0.94 1.86 2.07 -1.13 1.73 116.25 119.82 3g61 h VAL 129 Ca 0.11 -0.06 0.12 0.00 0.82 0.00 0.00 66.70 67.69 3g61 h VAL 129 Cb 0.51 0.13 -0.07 0.00 -1.52 0.00 0.00 31.29 30.34 3g61 h VAL 129 CO -0.37 0.03 0.60 0.28 0.02 0.00 0.00 177.57 178.13 3g61 h SER 130 N 0.17 0.81 0.00 0.57 0.02 -0.24 -2.27 113.55 112.62 3g61 h SER 130 Ca 0.50 0.04 0.00 0.00 -0.84 0.00 0.00 61.79 61.49 3g61 h SER 130 Cb 0.98 -0.12 0.00 0.00 0.14 0.00 0.00 62.40 63.39 3g61 h SER 130 CO -0.66 0.44 0.00 0.33 -1.14 0.00 0.00 176.83 175.79 3g61 n PHE 131 N -4.58 0.00 0.00 3.45 -0.00 0.58 -1.69 117.46 115.23 3g61 n PHE 131 Ca 0.17 0.00 0.00 0.00 -0.00 0.00 0.00 57.45 57.62 3g61 n PHE 131 Cb 0.38 0.00 0.00 0.00 -0.00 0.00 0.00 39.48 39.86 3g61 n PHE 131 CO 0.00 0.00 0.00 1.87 -0.00 0.00 0.00 176.76 178.63 3g61 n TRP 132 N -0.32 0.00 0.00 -5.13 -0.00 -0.79 -1.49 117.44 109.70 3g61 n TRP 132 Ca 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 57.50 57.50 3g61 n TRP 132 Cb 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 31.31 31.31 3g61 n TRP 132 CO 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 177.69 177.69 3g61 n LEU 134 N 0.00 0.00 0.00 0.00 4.77 -0.68 0.10 117.00 121.19 3g61 n LEU 134 Ca 0.00 0.00 0.00 0.00 -0.03 0.00 0.00 56.01 55.98 3g61 n LEU 134 Cb 0.00 0.00 0.00 0.00 -2.33 0.00 0.00 43.42 41.09 3g61 n LEU 134 CO 0.00 0.00 0.02 0.00 -1.33 0.00 0.00 177.39 176.08 3g61 n ALA 135 N -0.94 0.00 -0.31 -1.18 0.00 -0.56 -0.46 120.51 117.06 3g61 n ALA 135 Ca 0.00 0.00 0.24 0.00 0.00 0.00 0.00 53.44 53.68 3g61 n ALA 135 Cb 0.00 0.01 0.45 0.00 0.00 0.00 0.00 19.45 19.91 3g61 n ALA 135 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 3g61 n ALA 136 N -2.84 0.78 -1.00 0.00 0.00 0.86 -1.39 120.51 116.92 3g61 n ALA 136 Ca 0.00 0.98 0.00 0.00 0.00 0.00 0.00 53.44 54.42 3g61 n ALA 136 Cb 0.00 -0.88 0.00 0.00 0.00 0.00 0.00 19.45 18.57 3g61 n ALA 136 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3g61 n GLY 137 N -1.34 -1.98 0.32 0.00 0.00 0.28 0.11 105.19 102.59 3g61 n GLY 137 Ca 0.31 0.24 0.09 0.00 0.00 0.00 0.00 46.02 46.65 3g61 n GLY 137 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3g61 n ARG 138 N -0.37 -0.08 -0.02 1.61 1.74 0.39 -0.08 116.66 119.85 3g61 n ARG 138 Ca 0.00 1.40 -0.03 0.00 -0.77 0.00 0.00 57.85 58.44 3g61 n ARG 138 Cb 0.00 -2.14 -0.02 0.00 -1.02 0.00 0.00 32.46 29.28 3g61 n ARG 138 CO 0.00 0.00 0.00 1.96 -1.52 0.00 0.00 177.63 178.07 3g61 h GLN 139 N 0.00 -0.11 0.00 5.56 1.08 -0.58 -0.72 115.11 120.34 3g61 h GLN 139 Ca 0.48 0.01 0.00 0.00 -1.45 0.00 0.00 58.65 57.69 3g61 h GLN 139 Cb 0.86 0.03 0.00 0.00 -0.05 0.00 0.00 27.48 28.32 3g61 h GLN 139 CO -0.90 -0.08 0.00 -0.89 -0.95 0.00 0.00 178.83 176.01 3g61 n ILE 140 N -3.30 0.00 -0.15 2.54 2.08 0.31 -1.08 119.36 119.76 3g61 n ILE 140 Ca -0.01 1.22 0.05 0.00 0.56 0.00 0.00 62.75 64.57 3g61 n ILE 140 Cb 0.09 -1.79 0.10 0.00 -0.75 0.00 0.00 39.64 37.28 3g61 n ILE 140 CO 0.00 0.00 0.00 1.57 0.56 0.00 0.00 176.55 178.68 3g61 n HIS 141 N -1.80 0.22 0.22 1.39 -0.00 -0.70 0.18 115.22 114.73 3g61 n HIS 141 Ca 0.00 0.52 -0.09 0.00 0.46 0.00 0.00 57.72 58.61 3g61 n HIS 141 Cb 0.00 -0.79 -0.04 0.00 -0.12 0.00 0.00 29.99 29.04 3g61 n HIS 141 CO 0.00 0.00 0.00 -0.22 0.46 0.00 0.00 176.34 176.58 3g61 h LYS 142 N 0.00 -0.55 -1.43 1.57 1.63 0.45 -1.23 116.57 117.01 3g61 h LYS 142 Ca 0.24 0.04 0.43 0.00 -0.85 0.00 0.00 60.65 60.51 3g61 h LYS 142 Cb 0.44 0.13 -0.10 0.00 -0.60 0.00 0.00 32.23 32.10 3g61 h LYS 142 CO -0.42 -0.37 0.97 0.82 -3.45 0.00 0.00 179.45 177.01 3g61 h ILE 143 N -0.57 0.19 0.00 2.00 2.04 0.36 -0.84 117.51 120.69 3g61 h ILE 143 Ca -0.06 -0.03 0.00 0.00 1.00 0.00 0.00 64.86 65.78 3g61 h ILE 143 Cb 0.44 0.11 0.00 0.00 -0.74 0.00 0.00 36.82 36.63 3g61 h ILE 143 CO 0.08 0.02 0.00 -1.14 0.00 0.00 0.00 178.15 177.11 3g61 n ARG 144 N -4.40 0.00 -0.17 2.37 3.00 0.16 -0.73 116.66 116.89 3g61 n ARG 144 Ca 0.35 0.10 -0.04 0.00 -0.00 0.00 0.00 57.85 58.26 3g61 n ARG 144 Cb 1.48 -0.91 -0.04 0.00 0.00 0.00 0.00 32.46 32.99 3g61 n ARG 144 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 177.63 178.67 3g61 n GLN 145 N -0.51 -0.18 -0.40 -0.14 6.02 -0.40 0.37 117.38 122.14 3g61 n GLN 145 Ca 0.00 1.04 0.32 0.00 -0.01 0.00 0.00 57.00 58.35 3g61 n GLN 145 Cb 0.00 -1.54 0.60 0.00 1.02 0.00 0.00 30.24 30.32 3g61 n GLN 145 CO 0.00 0.00 0.00 0.87 -1.01 0.00 0.00 177.06 176.92 3g61 h LYS 146 N 0.00 0.19 0.07 -1.09 1.79 -1.36 -0.37 116.57 115.81 3g61 h LYS 146 Ca 0.06 -0.01 -0.00 0.00 -2.18 0.00 0.00 60.65 58.52 3g61 h LYS 146 Cb 0.16 -0.04 0.00 0.00 -1.58 0.00 0.00 32.23 30.77 3g61 h LYS 146 CO -0.38 0.13 -0.03 0.35 -1.08 0.00 0.00 179.45 178.43 3g61 h PHE 147 N 0.19 -0.09 0.00 -1.35 -0.00 0.21 -0.22 116.94 115.69 3g61 h PHE 147 Ca 0.72 -0.00 0.00 0.00 -0.00 0.00 0.00 57.97 58.69 3g61 h PHE 147 Cb 2.17 0.03 0.00 0.00 -0.00 0.00 0.00 35.95 38.15 3g61 h PHE 147 CO -0.00 0.49 0.00 1.19 -0.00 0.00 0.00 178.31 179.98 3g61 n PHE 148 N -4.82 0.00 -0.29 0.41 3.01 -0.25 -0.19 117.46 115.33 3g61 n PHE 148 Ca -0.08 0.00 0.17 0.00 1.01 0.00 0.00 57.45 58.55 3g61 n PHE 148 Cb 0.30 -0.44 0.44 0.00 -0.01 0.00 0.00 39.48 39.78 3g61 n PHE 148 CO 0.00 0.00 0.00 1.25 1.01 0.00 0.00 176.76 179.02 3g61 h HIS 149 N 0.00 0.74 0.82 1.38 2.76 -1.41 -0.30 115.15 119.14 3g61 h HIS 149 Ca 0.00 0.02 -0.04 0.00 -2.20 0.00 0.00 60.37 58.15 3g61 h HIS 149 Cb 0.00 -0.22 0.01 0.00 1.55 0.00 0.00 27.41 28.74 3g61 h HIS 149 CO -0.64 0.17 -0.39 0.00 -1.30 0.00 0.00 177.93 175.77 3g61 h ALA 150 N 1.62 -1.25 -0.70 5.26 0.00 0.42 -1.58 119.26 123.04 3g61 h ALA 150 Ca 0.53 -0.24 0.06 0.00 0.00 0.00 0.00 54.91 55.26 3g61 h ALA 150 Cb 1.12 0.43 -0.09 0.00 0.00 0.00 0.00 17.79 19.25 3g61 h ALA 150 CO -0.26 -1.17 -0.46 0.82 0.00 0.00 0.00 179.25 178.17 3g61 h ILE 151 N -1.14 0.00 0.00 0.00 2.04 0.52 2.13 117.51 121.06 3g61 h ILE 151 Ca -0.11 0.00 0.00 0.00 1.00 0.00 0.00 64.86 65.75 3g61 h ILE 151 Cb 0.84 0.00 0.00 0.00 -0.74 0.00 0.00 36.82 36.92 3g61 h ILE 151 CO 0.18 0.00 0.59 -0.03 0.00 0.00 0.00 178.15 178.89 3g61 h MET 152 N -0.07 0.00 -0.01 2.37 4.05 -0.95 0.38 114.93 120.70 3g61 h MET 152 Ca 0.11 0.00 0.00 0.00 -0.28 0.00 0.00 59.70 59.53 3g61 h MET 152 Cb 0.36 0.00 0.00 0.00 -0.80 0.00 0.00 31.60 31.16 3g61 h MET 152 CO -0.69 0.00 -0.11 -1.71 0.23 0.00 0.00 176.91 174.63 3g61 n ASN 153 N -2.22 1.67 0.00 1.39 2.85 0.71 -4.50 115.26 115.16 3g61 n ASN 153 Ca -0.01 -1.34 0.08 0.00 -0.11 0.00 0.00 54.58 53.21 3g61 n ASN 153 Cb 0.60 0.22 0.40 0.00 1.24 0.00 0.00 39.78 42.24 3g61 n ASN 153 CO 0.00 0.00 0.00 1.67 -2.11 0.00 0.00 177.26 176.82 3g61 n GLN 154 N 0.25 0.19 -0.56 1.20 7.27 0.13 -4.64 117.38 121.22 3g61 n GLN 154 Ca 0.06 0.15 0.05 0.00 0.07 0.00 0.00 57.00 57.33 3g61 n GLN 154 Cb 0.27 -1.50 -0.02 0.00 2.41 0.00 0.00 30.24 31.41 3g61 n GLN 154 CO 0.00 0.00 0.00 0.39 0.07 0.00 0.00 177.06 177.52 3g61 n GLU 155 N -1.32 -0.79 0.00 3.69 -0.58 -1.26 -3.47 120.64 116.91 3g61 n GLU 155 Ca 0.07 0.55 0.00 0.00 -0.42 0.00 0.00 57.16 57.36 3g61 n GLU 155 Cb 0.14 -1.14 0.00 0.00 -0.57 0.00 0.00 31.44 29.88 3g61 n GLU 155 CO 0.00 0.00 0.00 -0.89 -0.48 0.00 0.00 177.13 175.76 3g61 n ILE 156 N -2.04 0.00 -0.32 -3.67 -0.00 -1.26 -1.17 119.36 110.90 3g61 n ILE 156 Ca -0.00 0.00 0.21 0.00 -0.00 0.00 0.00 62.75 62.96 3g61 n ILE 156 Cb 0.55 0.00 0.40 0.00 -0.00 0.00 0.00 39.64 40.58 3g61 n ILE 156 CO 0.00 0.00 0.00 0.61 -0.00 0.00 0.00 176.55 177.16 3g61 n GLY 157 N 0.00 -1.05 0.00 7.39 0.00 -1.23 0.20 105.19 110.50 3g61 n GLY 157 Ca 0.00 0.87 0.06 0.00 0.00 0.00 0.00 46.02 46.94 3g61 n GLY 157 CO 0.00 0.00 0.00 -2.67 0.00 0.00 0.00 173.32 170.65 3g61 n TRP 158 N -5.31 0.00 -0.03 1.61 2.14 -0.32 -0.57 117.44 114.97 3g61 n TRP 158 Ca 0.28 0.00 -0.07 0.00 2.07 0.00 0.00 57.50 59.78 3g61 n TRP 158 Cb 0.94 -0.04 -0.02 0.00 -0.81 0.00 0.00 31.31 31.38 3g61 n TRP 158 CO 0.00 0.00 0.00 0.34 2.07 0.00 0.00 177.69 180.10 3g61 n PHE 159 N -1.04 0.00 0.00 -2.67 7.35 0.52 -4.72 117.46 116.90 3g61 n PHE 159 Ca 0.08 0.00 0.00 0.00 -0.76 0.00 0.00 57.45 56.77 3g61 n PHE 159 Cb 0.05 -0.28 0.00 0.00 0.35 0.00 0.00 39.48 39.59 3g61 n PHE 159 CO 0.00 0.00 0.00 -0.25 -0.76 0.00 0.00 176.76 175.75 3g61 n ASP 160 N -3.76 0.00 0.00 -2.13 8.00 0.25 -4.65 116.55 114.26 3g61 n ASP 160 Ca -0.12 0.32 0.00 0.00 0.71 0.00 0.00 54.79 55.70 3g61 n ASP 160 Cb 0.38 -0.00 0.00 0.00 -0.02 0.00 0.00 41.12 41.47 3g61 n ASP 160 CO 0.00 0.00 0.00 1.33 -0.39 0.00 0.00 177.20 178.14 3g61 n VAL 161 N -0.83 0.00 -0.59 2.53 0.24 0.27 -5.02 118.33 114.92 3g61 n VAL 161 Ca 0.00 0.00 0.08 0.00 -2.04 0.00 0.00 64.34 62.38 3g61 n VAL 161 Cb 0.00 0.00 -0.03 0.00 -1.47 0.00 0.00 33.84 32.34 3g61 n VAL 161 CO 0.00 0.00 0.00 1.41 -2.14 0.00 0.00 176.83 176.10 3g61 n HIS 162 N 0.00 -1.52 -0.18 6.34 8.25 -1.26 -4.66 115.22 122.19 3g61 n HIS 162 Ca 0.00 0.78 0.00 0.00 -0.26 0.00 0.00 57.72 58.24 3g61 n HIS 162 Cb 0.00 -1.38 0.00 0.00 1.12 0.00 0.00 29.99 29.73 3g61 n HIS 162 CO 0.00 0.00 0.00 -0.25 0.64 0.00 0.00 176.34 176.73 3g61 n ASP 163 N -2.95 1.01 0.00 0.41 9.92 -1.26 -5.00 116.55 118.68 3g61 n ASP 163 Ca -0.01 -1.19 0.00 0.00 -0.53 0.00 0.00 54.79 53.06 3g61 n ASP 163 Cb 0.27 0.00 0.00 0.00 -0.64 0.00 0.00 41.12 40.75 3g61 n ASP 163 CO 0.00 0.00 0.00 0.52 0.13 0.00 0.00 177.20 177.85 3g61 n VAL 164 N -0.10 0.00 -0.08 2.53 0.31 -1.26 -3.47 118.33 116.27 3g61 n VAL 164 Ca 0.00 0.00 -0.09 0.00 -0.01 0.00 0.00 64.34 64.24 3g61 n VAL 164 Cb 0.10 0.00 -0.11 0.00 -0.91 0.00 0.00 33.84 32.93 3g61 n VAL 164 CO 0.00 0.00 0.00 0.61 -1.32 0.00 0.00 176.83 176.12 3g61 n GLY 165 N -0.46 -0.57 0.28 2.92 0.00 -1.26 -4.21 105.19 101.89 3g61 n GLY 165 Ca 0.00 -0.21 -0.12 0.00 0.00 0.00 0.00 46.02 45.69 3g61 n GLY 165 CO 0.00 0.00 0.00 -2.09 0.00 0.00 0.00 173.32 171.23 3g61 h GLU 166 N 0.00 0.98 0.11 1.61 4.22 -1.97 -1.88 114.58 117.65 3g61 h GLU 166 Ca -0.41 -0.46 0.00 0.00 0.08 0.00 0.00 59.36 58.57 3g61 h GLU 166 Cb 1.82 -0.01 -0.02 0.00 0.50 0.00 0.00 28.75 31.05 3g61 h GLU 166 CO -0.01 1.13 -0.22 1.25 -2.18 0.00 0.00 179.01 178.98 3g61 h LEU 167 N 0.83 -0.64 -1.47 1.64 6.46 -1.83 -1.50 115.31 118.80 3g61 h LEU 167 Ca 0.09 0.06 0.06 0.00 -0.12 0.00 0.00 57.88 57.97 3g61 h LEU 167 Cb 0.88 0.23 -0.04 0.00 -0.73 0.00 0.00 40.66 41.00 3g61 h LEU 167 CO 0.08 -0.25 0.43 -0.55 -0.62 0.00 0.00 178.44 177.53 3g61 h ASN 168 N -0.35 0.57 -0.14 1.25 -1.07 -1.73 -1.47 115.58 112.64 3g61 h ASN 168 Ca -0.01 0.00 0.04 0.00 0.07 0.00 0.00 56.30 56.40 3g61 h ASN 168 Cb 0.34 -0.12 -0.07 0.00 -2.07 0.00 0.00 38.32 36.40 3g61 h ASN 168 CO -0.09 0.37 -0.47 0.74 0.07 0.00 0.00 177.43 178.05 3g61 h THR 169 N 0.65 0.08 0.00 6.14 2.02 -0.76 0.47 112.91 121.51 3g61 h THR 169 Ca 0.28 0.00 -0.00 0.00 0.77 0.00 0.00 66.41 67.46 3g61 h THR 169 Cb 0.27 0.08 -0.00 0.00 -1.74 0.00 0.00 68.15 66.76 3g61 h THR 169 CO -0.09 0.00 -0.02 0.08 0.37 0.00 0.00 175.52 175.87 3g61 h ARG 170 N -0.53 0.00 0.13 6.66 0.11 -0.31 -0.15 114.38 120.29 3g61 h ARG 170 Ca 0.06 0.00 -0.00 0.00 0.10 0.00 0.00 59.98 60.14 3g61 h ARG 170 Cb 0.65 0.00 -0.01 0.00 1.11 0.00 0.00 29.97 31.72 3g61 h ARG 170 CO -0.42 0.02 -0.16 1.25 0.10 0.00 0.00 179.97 180.75 3g61 h LEU 171 N 0.00 -0.46 0.86 0.08 7.12 0.77 0.36 115.31 124.04 3g61 h LEU 171 Ca -0.00 0.04 -0.04 0.00 0.13 0.00 0.00 57.88 58.01 3g61 h LEU 171 Cb 0.26 0.16 0.00 0.00 -0.53 0.00 0.00 40.66 40.55 3g61 h LEU 171 CO 0.00 -0.21 -0.49 0.74 -0.13 0.00 0.00 178.44 178.36 3g61 h THR 172 N -0.31 0.02 -0.22 1.05 2.02 -1.02 -2.06 112.91 112.39 3g61 h THR 172 Ca -0.02 0.00 0.06 0.00 0.77 0.00 0.00 66.41 67.22 3g61 h THR 172 Cb 0.27 0.02 -0.07 0.00 -1.74 0.00 0.00 68.15 66.63 3g61 h THR 172 CO -0.04 0.00 -0.36 0.44 0.37 0.00 0.00 175.52 175.93 3g61 h ASP 173 N -1.25 -1.15 0.10 4.18 5.19 -1.02 -2.22 116.42 120.25 3g61 h ASP 173 Ca -0.12 0.17 -0.01 0.00 -0.62 0.00 0.00 57.03 56.46 3g61 h ASP 173 Cb 0.99 0.49 0.00 0.00 0.18 0.00 0.00 39.33 40.99 3g61 h ASP 173 CO 0.15 -0.37 -0.05 0.44 -3.12 0.00 0.00 179.24 176.29 3g61 h ASP 174 N -0.39 -0.12 -0.38 6.45 3.45 -0.34 -1.92 116.42 123.17 3g61 h ASP 174 Ca 0.11 -0.15 0.05 0.00 0.43 0.00 0.00 57.03 57.47 3g61 h ASP 174 Cb 0.57 0.03 -0.08 0.00 -0.56 0.00 0.00 39.33 39.29 3g61 h ASP 174 CO -0.43 0.08 -0.53 1.62 -1.57 0.00 0.00 179.24 178.41 3g61 h VAL 175 N -0.32 0.02 -0.69 -1.35 3.04 -1.28 0.69 116.25 116.36 3g61 h VAL 175 Ca -0.01 0.00 0.15 0.00 -1.01 0.00 0.00 66.70 65.82 3g61 h VAL 175 Cb 0.26 0.02 -0.12 0.00 -2.01 0.00 0.00 31.29 29.44 3g61 h VAL 175 CO 0.02 0.00 -0.07 0.28 -1.01 0.00 0.00 177.57 176.79 3g61 h SER 176 N -0.40 -0.46 -0.08 3.17 0.02 -1.32 0.26 113.55 114.74 3g61 h SER 176 Ca 0.08 0.19 0.02 0.00 -0.84 0.00 0.00 61.79 61.25 3g61 h SER 176 Cb 0.60 0.36 -0.00 0.00 0.14 0.00 0.00 62.40 63.50 3g61 h SER 176 CO -0.58 -0.19 0.06 0.11 -1.14 0.00 0.00 176.83 175.09 3g61 h LYS 177 N 0.06 0.01 -0.08 3.45 1.57 -0.09 -1.47 116.57 120.01 3g61 h LYS 177 Ca 0.35 -0.00 -0.03 0.00 -1.87 0.00 0.00 60.65 59.10 3g61 h LYS 177 Cb 0.58 -0.00 -0.00 0.00 0.08 0.00 0.00 32.23 32.89 3g61 h LYS 177 CO -0.65 0.01 -0.08 0.82 -0.57 0.00 0.00 179.45 178.97 3g61 h ILE 178 N 0.01 1.37 0.03 1.86 2.04 0.82 -1.83 117.51 121.81 3g61 h ILE 178 Ca 0.04 -1.25 0.03 0.00 1.00 0.00 0.00 64.86 64.67 3g61 h ILE 178 Cb 0.15 2.03 -0.05 0.00 -0.74 0.00 0.00 36.82 38.20 3g61 h ILE 178 CO -0.00 0.35 -0.44 -1.13 0.00 0.00 0.00 178.15 176.92 3g61 h ASN 179 N -0.24 -1.35 -0.08 1.72 -0.73 -0.56 0.47 115.58 114.81 3g61 h ASN 179 Ca 0.01 0.16 0.02 0.00 1.87 0.00 0.00 56.30 58.36 3g61 h ASN 179 Cb 0.60 0.52 -0.00 0.00 0.27 0.00 0.00 38.32 39.71 3g61 h ASN 179 CO 0.02 -0.48 0.24 -0.33 -0.37 0.00 0.00 177.43 176.51 3g61 h GLU 180 N -0.62 0.00 0.23 6.67 5.08 -1.31 0.12 114.58 124.75 3g61 h GLU 180 Ca 0.03 0.00 -0.01 0.00 -1.00 0.00 0.00 59.36 58.38 3g61 h GLU 180 Cb 0.68 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.93 3g61 h GLU 180 CO -0.31 0.00 -0.11 0.78 -1.00 0.00 0.00 179.01 178.37 3g61 h GLY 181 N 0.00 -0.32 1.00 -3.84 0.00 0.81 -2.51 103.07 98.20 3g61 h GLY 181 Ca 0.04 0.12 0.00 0.00 0.00 0.00 0.00 47.33 47.49 3g61 h GLY 181 CO -0.00 -0.12 0.04 -2.22 0.00 0.00 0.00 176.54 174.24 3g61 h ILE 182 N -0.59 1.02 0.45 2.60 1.08 0.06 -2.67 117.51 119.45 3g61 h ILE 182 Ca -0.03 -0.03 -0.02 0.00 -0.39 0.00 0.00 64.86 64.38 3g61 h ILE 182 Cb 0.43 0.92 0.00 0.00 -3.07 0.00 0.00 36.82 35.11 3g61 h ILE 182 CO 0.05 0.02 -0.22 1.23 -0.69 0.00 0.00 178.15 178.54 3g61 h GLY 183 N 0.09 -0.64 0.02 5.37 0.00 -1.53 -2.58 103.07 103.79 3g61 h GLY 183 Ca 0.02 0.24 0.17 0.00 0.00 0.00 0.00 47.33 47.76 3g61 h GLY 183 CO -0.01 -0.23 0.32 -0.55 0.00 0.00 0.00 176.54 176.07 3g61 h ASP 184 N -0.97 0.28 -0.56 0.19 3.32 -1.58 -0.84 116.42 116.26 3g61 h ASP 184 Ca -0.06 0.13 0.05 0.00 0.02 0.00 0.00 57.03 57.17 3g61 h ASP 184 Cb 0.58 0.11 -0.07 0.00 0.22 0.00 0.00 39.33 40.17 3g61 h ASP 184 CO 0.10 0.07 -0.37 0.50 -1.72 0.00 0.00 179.24 177.81 3g61 h LYS 185 N 0.42 -0.05 -0.91 3.56 3.64 -1.36 2.33 116.57 124.20 3g61 h LYS 185 Ca 0.46 0.00 0.17 0.00 -1.27 0.00 0.00 60.65 60.02 3g61 h LYS 185 Cb 0.76 0.01 -0.17 0.00 -0.41 0.00 0.00 32.23 32.43 3g61 h LYS 185 CO -0.45 -0.03 -0.26 0.44 -2.27 0.00 0.00 179.45 176.88 3g61 n ILE 186 N -4.44 -0.41 -0.08 2.00 -6.64 -0.36 0.11 119.36 109.55 3g61 n ILE 186 Ca 0.01 2.10 -0.10 0.00 -1.77 0.00 0.00 62.75 62.99 3g61 n ILE 186 Cb 0.18 -2.88 -0.04 0.00 -1.44 0.00 0.00 39.64 35.46 3g61 n ILE 186 CO 0.00 0.00 0.00 1.23 -1.77 0.00 0.00 176.55 176.01 3g61 h GLY 187 N 0.00 -0.48 -0.11 3.28 0.00 0.43 -1.39 103.07 104.79 3g61 h GLY 187 Ca 0.41 0.48 0.11 0.00 0.00 0.00 0.00 47.33 48.33 3g61 h GLY 187 CO -0.93 -0.20 -0.17 1.98 0.00 0.00 0.00 176.54 177.21 3g61 h MET 188 N -0.35 -0.04 0.03 4.80 1.85 0.24 -1.14 114.93 120.32 3g61 h MET 188 Ca 0.13 0.00 0.01 0.00 -0.61 0.00 0.00 59.70 59.23 3g61 h MET 188 Cb 0.58 0.01 -0.04 0.00 0.43 0.00 0.00 31.60 32.58 3g61 h MET 188 CO -0.50 -0.03 -0.38 0.35 -0.40 0.00 0.00 176.91 175.96 3g61 h PHE 189 N -0.04 -1.10 0.00 1.39 3.04 -0.21 0.68 116.94 120.70 3g61 h PHE 189 Ca 0.25 0.03 0.00 0.00 3.98 0.00 0.00 57.97 62.23 3g61 h PHE 189 Cb 0.43 0.47 0.00 0.00 2.56 0.00 0.00 35.95 39.41 3g61 h PHE 189 CO -0.47 -0.41 0.00 0.34 -2.02 0.00 0.00 178.31 175.75 3g61 n PHE 190 N -4.57 0.00 -0.09 0.41 7.35 -0.48 -0.82 117.46 119.26 3g61 n PHE 190 Ca -0.05 0.00 -0.00 0.00 -0.76 0.00 0.00 57.45 56.63 3g61 n PHE 190 Cb 0.28 -0.05 0.27 0.00 0.35 0.00 0.00 39.48 40.33 3g61 n PHE 190 CO 0.00 0.00 0.00 1.96 -0.76 0.00 0.00 176.76 177.96 3g61 h GLN 191 N 0.00 0.73 -0.93 -4.13 4.20 -1.27 -1.57 115.11 112.13 3g61 h GLN 191 Ca 0.00 -0.11 0.28 0.00 0.06 0.00 0.00 58.65 58.88 3g61 h GLN 191 Cb 0.00 -0.13 -0.15 0.00 0.30 0.00 0.00 27.48 27.50 3g61 h GLN 191 CO 0.00 0.61 0.31 0.00 -0.67 0.00 0.00 178.83 179.08 3g61 h ALA 192 N 1.49 1.50 0.00 3.87 0.00 0.24 1.02 119.26 127.38 3g61 h ALA 192 Ca 0.17 0.24 -0.13 0.00 0.00 0.00 0.00 54.91 55.19 3g61 h ALA 192 Cb 0.16 0.32 -0.02 0.00 0.00 0.00 0.00 17.79 18.25 3g61 h ALA 192 CO -0.02 -0.55 -0.96 0.52 0.00 0.00 0.00 179.25 178.24 3g61 h MET 193 N 0.19 0.00 -0.40 0.00 2.86 -0.56 -2.00 114.93 115.01 3g61 h MET 193 Ca 0.63 0.00 0.07 0.00 -2.06 0.00 0.00 59.70 58.34 3g61 h MET 193 Cb 1.36 0.00 -0.06 0.00 0.06 0.00 0.00 31.60 32.96 3g61 h MET 193 CO -0.69 0.36 0.05 0.00 1.06 0.00 0.00 176.91 177.68 3g61 h ALA 194 N 1.51 0.41 0.04 6.32 0.00 0.20 -1.42 119.26 126.31 3g61 h ALA 194 Ca -0.08 0.10 -0.23 0.00 0.00 0.00 0.00 54.91 54.70 3g61 h ALA 194 Cb 1.45 0.15 -0.01 0.00 0.00 0.00 0.00 17.79 19.38 3g61 h ALA 194 CO 0.05 -0.35 -1.02 0.00 0.00 0.00 0.00 179.25 177.93 3g61 h THR 195 N 0.16 1.52 0.00 0.00 1.03 -1.20 -1.56 112.91 112.86 3g61 h THR 195 Ca 0.20 -2.86 0.00 0.00 -0.01 0.00 0.00 66.41 63.74 3g61 h THR 195 Cb 0.26 2.67 0.00 0.00 -1.07 0.00 0.00 68.15 70.01 3g61 h THR 195 CO -0.29 0.83 0.00 0.33 -0.01 0.00 0.00 175.52 176.38 3g61 n PHE 196 N -3.58 0.00 -0.12 0.00 -0.00 -0.75 -1.62 117.46 111.39 3g61 n PHE 196 Ca -0.05 0.00 -0.02 0.00 -0.00 0.00 0.00 57.45 57.38 3g61 n PHE 196 Cb 0.90 -0.41 0.22 0.00 -0.00 0.00 0.00 39.48 40.19 3g61 n PHE 196 CO 0.00 0.00 0.00 0.74 -0.00 0.00 0.00 176.76 177.50 3g61 h PHE 197 N 0.00 0.81 0.03 -5.13 0.04 -1.44 -1.51 116.94 109.74 3g61 h PHE 197 Ca 0.00 -0.06 -0.00 0.00 2.80 0.00 0.00 57.97 60.70 3g61 h PHE 197 Cb 0.00 -0.24 -0.00 0.00 2.20 0.00 0.00 35.95 37.91 3g61 h PHE 197 CO 0.17 0.67 -0.03 0.78 -0.60 0.00 0.00 178.31 179.31 3g61 h GLY 198 N 0.94 -0.65 -0.49 -1.45 0.00 -1.36 1.27 103.07 101.33 3g61 h GLY 198 Ca 0.17 0.28 0.36 0.00 0.00 0.00 0.00 47.33 48.14 3g61 h GLY 198 CO -0.01 -0.24 0.89 -1.33 0.00 0.00 0.00 176.54 175.85 3g61 h GLY 199 N -0.06 0.07 0.00 4.60 0.00 -1.27 -1.48 103.07 104.94 3g61 h GLY 199 Ca -0.00 -0.01 0.00 0.00 0.00 0.00 0.00 47.33 47.31 3g61 h GLY 199 CO -0.00 -0.01 0.00 0.33 0.00 0.00 0.00 176.54 176.86 3g61 n PHE 200 N -4.19 0.00 0.00 5.60 7.35 -0.57 -1.65 117.46 124.00 3g61 n PHE 200 Ca 0.27 0.00 0.00 0.00 -0.76 0.00 0.00 57.45 56.96 3g61 n PHE 200 Cb 1.29 -0.17 0.00 0.00 0.35 0.00 0.00 39.48 40.95 3g61 n PHE 200 CO 0.00 0.00 0.00 -0.89 -0.76 0.00 0.00 176.76 175.11 3g61 n ILE 201 N -1.01 0.00 0.23 -2.13 2.08 0.43 -0.77 119.36 118.19 3g61 n ILE 201 Ca 0.00 0.30 -0.15 0.00 0.56 0.00 0.00 62.75 63.46 3g61 n ILE 201 Cb 0.00 -0.47 -0.08 0.00 -0.75 0.00 0.00 39.64 38.34 3g61 n ILE 201 CO 0.00 0.00 0.00 0.16 0.56 0.00 0.00 176.55 177.27 3g61 h ILE 202 N 0.00 0.43 0.00 1.39 -0.00 -1.47 -1.43 117.51 116.42 3g61 h ILE 202 Ca 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 64.86 64.86 3g61 h ILE 202 Cb 0.00 0.43 0.00 0.00 -0.00 0.00 0.00 36.82 37.25 3g61 h ILE 202 CO 0.00 0.00 0.00 0.61 -0.00 0.00 0.00 178.15 178.76 3g61 n GLY 203 N -1.40 0.00 0.90 0.16 0.00 0.05 -1.95 105.19 102.95 3g61 n GLY 203 Ca -0.10 0.00 0.00 0.00 0.00 0.00 0.00 46.02 45.92 3g61 n GLY 203 CO 0.00 0.00 0.00 0.33 0.00 0.00 0.00 173.32 173.65 3g61 n PHE 204 N 0.38 -1.07 -0.25 1.61 7.35 -0.07 -4.52 117.46 120.90 3g61 n PHE 204 Ca 0.00 0.00 0.31 0.00 -0.76 0.00 0.00 57.45 57.00 3g61 n PHE 204 Cb 0.00 0.23 0.57 0.00 0.35 0.00 0.00 39.48 40.62 3g61 n PHE 204 CO 0.00 0.00 0.00 1.15 -0.76 0.00 0.00 176.76 177.15 3g61 h THR 205 N 0.00 0.08 -3.03 -2.13 2.02 -1.29 -1.89 112.91 106.68 3g61 h THR 205 Ca 0.00 0.00 -0.62 0.00 0.77 0.00 0.00 66.41 66.56 3g61 h THR 205 Cb 0.00 0.13 -0.42 0.00 -1.74 0.00 0.00 68.15 66.13 3g61 h THR 205 CO 0.00 0.00 -0.61 -0.60 0.37 0.00 0.00 175.52 174.68 3g61 s ARG 206 N -4.56 2.29 0.00 6.66 6.06 -0.82 -4.63 118.95 123.94 3g61 s ARG 206 Ca -0.03 -3.19 0.00 0.00 -2.50 0.00 0.00 55.73 50.00 3g61 s ARG 206 Cb 0.17 -3.22 0.00 0.00 0.06 0.00 0.00 34.95 31.95 3g61 s ARG 206 CO 0.57 -1.29 0.00 0.41 -2.50 0.00 0.00 175.30 172.49 3g61 n GLY 207 N 2.11 1.42 3.69 8.12 0.00 -0.90 -3.90 105.19 115.73 3g61 n GLY 207 Ca 0.20 -0.10 0.00 0.00 0.00 0.00 0.00 46.02 46.12 3g61 n GLY 207 CO 0.00 0.00 0.00 0.79 0.00 0.00 0.00 173.32 174.11 3g61 n TRP 208 N 0.00 0.00 0.00 1.61 8.01 -0.76 0.03 117.44 126.33 3g61 n TRP 208 Ca 0.00 0.00 0.00 0.00 -1.31 0.00 0.00 57.50 56.19 3g61 n TRP 208 Cb 0.00 -0.84 0.00 0.00 -2.01 0.00 0.00 31.31 28.46 3g61 n TRP 208 CO 0.00 0.00 0.00 1.17 -1.01 0.00 0.00 177.69 177.85 3g61 n LYS 209 N -0.87 0.00 -0.06 -0.99 3.00 -1.26 -4.91 118.16 113.07 3g61 n LYS 209 Ca 0.00 0.00 -0.22 0.00 -0.00 0.00 0.00 58.31 58.09 3g61 n LYS 209 Cb 0.00 0.00 -0.13 0.00 0.00 0.00 0.00 35.03 34.90 3g61 n LYS 209 CO 0.00 0.00 0.00 -0.11 0.00 0.00 0.00 177.40 177.29 3g61 n LEU 210 N 0.00 2.44 0.31 3.14 -0.00 0.10 -1.36 117.00 121.64 3g61 n LEU 210 Ca 0.00 0.21 0.18 0.00 -0.00 0.00 0.00 56.01 56.41 3g61 n LEU 210 Cb 0.00 -1.02 1.04 0.00 -0.00 0.00 0.00 43.42 43.44 3g61 n LEU 210 CO 0.00 0.70 1.15 0.00 -0.00 0.00 0.00 177.39 179.24 3g61 h THR 211 N -0.32 0.30 0.03 1.96 1.03 -1.67 -0.16 112.91 114.09 3g61 h THR 211 Ca -0.46 -0.02 -0.00 0.00 -0.01 0.00 0.00 66.41 65.91 3g61 h THR 211 Cb 1.79 1.02 0.00 0.00 -1.07 0.00 0.00 68.15 69.89 3g61 h THR 211 CO -0.07 0.00 -0.02 0.25 -0.01 0.00 0.00 175.52 175.68 3g61 h LEU 212 N 0.00 -0.04 -1.52 0.00 5.85 -1.78 -1.56 115.31 116.26 3g61 h LEU 212 Ca -0.00 -0.61 0.44 0.00 0.84 0.00 0.00 57.88 58.56 3g61 h LEU 212 Cb 0.02 0.01 -0.12 0.00 0.37 0.00 0.00 40.66 40.94 3g61 h LEU 212 CO 0.00 0.72 0.92 0.58 -0.34 0.00 0.00 178.44 180.32 3g61 h VAL 213 N -0.94 0.14 0.00 1.05 2.07 0.21 3.23 116.25 122.01 3g61 h VAL 213 Ca -0.00 -0.03 0.00 0.00 0.82 0.00 0.00 66.70 67.49 3g61 h VAL 213 Cb 0.64 0.05 0.00 0.00 -1.52 0.00 0.00 31.29 30.46 3g61 h VAL 213 CO 0.01 0.01 0.00 -0.38 0.02 0.00 0.00 177.57 177.23 3g61 n ILE 214 N -4.56 0.00 -0.17 4.57 5.41 -0.58 -1.23 119.36 122.80 3g61 n ILE 214 Ca 0.37 1.26 0.00 0.00 1.00 0.00 0.00 62.75 65.38 3g61 n ILE 214 Cb 1.48 -2.25 0.03 0.00 -0.71 0.00 0.00 39.64 38.18 3g61 n ILE 214 CO 0.00 0.00 0.00 0.18 0.00 0.00 0.00 176.55 176.73 3g61 n LEU 215 N -1.39 -0.27 0.00 1.39 4.77 0.97 0.16 117.00 122.63 3g61 n LEU 215 Ca 0.00 0.79 0.00 0.00 -0.03 0.00 0.00 56.01 56.77 3g61 n LEU 215 Cb 0.00 -0.19 0.00 0.00 -2.33 0.00 0.00 43.42 40.90 3g61 n LEU 215 CO 0.00 -0.72 0.18 0.00 -1.33 0.00 0.00 177.39 175.52 3g61 n ALA 216 N -3.77 0.00 -0.17 -1.18 0.00 0.46 -1.56 120.51 114.29 3g61 n ALA 216 Ca 0.05 0.00 -0.02 0.00 0.00 0.00 0.00 53.44 53.47 3g61 n ALA 216 Cb 0.19 0.02 0.06 0.00 0.00 0.00 0.00 19.45 19.72 3g61 n ALA 216 CO 0.00 0.00 0.00 -0.84 0.00 0.00 0.00 177.50 176.66 3g61 h ILE 217 N 0.00 0.52 0.00 0.00 3.07 0.13 -1.35 117.51 119.88 3g61 h ILE 217 Ca 0.00 -0.02 0.00 0.00 1.55 0.00 0.00 64.86 66.39 3g61 h ILE 217 Cb 0.00 0.46 0.00 0.00 -0.27 0.00 0.00 36.82 37.01 3g61 h ILE 217 CO 0.00 0.01 0.00 -1.20 -1.05 0.00 0.00 178.15 175.91 3g61 n SER 218 N -5.31 0.00 -0.48 2.16 7.64 0.43 -0.98 113.62 117.09 3g61 n SER 218 Ca 0.06 0.50 0.40 0.00 1.01 0.00 0.00 58.87 60.84 3g61 n SER 218 Cb 0.29 -0.03 0.68 0.00 -1.01 0.00 0.00 64.21 64.13 3g61 n SER 218 CO 0.00 0.00 0.00 -2.65 -3.01 0.00 0.00 175.04 169.38 3g61 n PRO 219 N -0.59 -0.03 0.20 1.43 -0.02 -0.60 -1.44 135.00 133.94 3g61 n PRO 219 Ca 0.00 1.24 -0.08 0.00 -2.02 0.00 0.00 63.50 62.64 3g61 n PRO 219 Cb 0.00 -2.45 -0.04 0.00 -0.02 0.00 0.00 33.50 30.99 3g61 n PRO 219 CO 0.00 0.00 0.00 0.28 1.98 0.00 0.00 175.50 177.76 3g61 h VAL 220 N 0.00 0.00 -0.94 -1.45 2.07 -1.18 -1.86 116.25 112.89 3g61 h VAL 220 Ca 0.88 -0.05 0.20 0.00 0.82 0.00 0.00 66.70 68.55 3g61 h VAL 220 Cb 2.84 0.00 -0.11 0.00 -1.52 0.00 0.00 31.29 32.50 3g61 h VAL 220 CO -0.45 0.00 0.52 -0.07 0.02 0.00 0.00 177.57 177.59 3g61 h LEU 221 N -0.56 0.59 -0.78 2.57 3.38 0.13 0.46 115.31 121.09 3g61 h LEU 221 Ca -0.05 0.12 0.10 0.00 0.09 0.00 0.00 57.88 58.14 3g61 h LEU 221 Cb 0.40 0.03 -0.07 0.00 0.09 0.00 0.00 40.66 41.10 3g61 h LEU 221 CO 0.09 0.15 0.42 1.23 0.09 0.00 0.00 178.44 180.42 3g61 h GLY 222 N 0.60 1.20 0.84 0.83 0.00 -1.23 -0.83 103.07 104.48 3g61 h GLY 222 Ca 0.57 -0.27 -0.00 0.00 0.00 0.00 0.00 47.33 47.63 3g61 h GLY 222 CO -0.44 0.09 -0.17 1.41 0.00 0.00 0.00 176.54 177.43 3g61 h LEU 223 N 0.70 -0.44 -0.89 3.11 3.38 0.76 -1.56 115.31 120.36 3g61 h LEU 223 Ca 0.38 0.04 0.09 0.00 0.09 0.00 0.00 57.88 58.48 3g61 h LEU 223 Cb 0.39 0.14 -0.07 0.00 0.09 0.00 0.00 40.66 41.21 3g61 h LEU 223 CO -0.27 -0.26 0.54 0.77 0.09 0.00 0.00 178.44 179.32 3g61 h SER 224 N -0.38 0.80 0.40 -0.43 4.64 -0.44 0.53 113.55 118.67 3g61 h SER 224 Ca -0.01 0.04 -0.02 0.00 -0.47 0.00 0.00 61.79 61.33 3g61 h SER 224 Cb 0.35 -0.12 0.00 0.00 -0.31 0.00 0.00 62.40 62.32 3g61 h SER 224 CO -0.02 0.47 -0.19 0.00 -0.87 0.00 0.00 176.83 176.22 3g61 h ALA 225 N 1.47 -0.87 -0.82 5.18 0.00 -1.04 -1.98 119.26 121.19 3g61 h ALA 225 Ca 0.42 -0.12 0.20 0.00 0.00 0.00 0.00 54.91 55.41 3g61 h ALA 225 Cb 0.34 0.21 -0.15 0.00 0.00 0.00 0.00 17.79 18.19 3g61 h ALA 225 CO -0.23 -0.83 0.02 0.78 0.00 0.00 0.00 179.25 178.98 3g61 h GLY 226 N -0.68 0.96 0.00 0.00 0.00 -1.21 -2.06 103.07 100.08 3g61 h GLY 226 Ca -0.05 0.12 0.00 0.00 0.00 0.00 0.00 47.33 47.39 3g61 h GLY 226 CO 0.09 -0.34 0.00 1.39 0.00 0.00 0.00 176.54 177.68 3g61 n ILE 227 N -5.38 0.00 -0.30 2.60 2.08 0.17 -1.84 119.36 116.69 3g61 n ILE 227 Ca 0.16 1.39 0.01 0.00 0.56 0.00 0.00 62.75 64.88 3g61 n ILE 227 Cb 0.55 -2.27 0.15 0.00 -0.75 0.00 0.00 39.64 37.32 3g61 n ILE 227 CO 0.00 0.00 0.00 -0.25 0.56 0.00 0.00 176.55 176.86 3g61 h TRP 228 N 0.00 0.94 -0.75 1.39 7.01 -1.27 -1.87 115.95 121.41 3g61 h TRP 228 Ca 0.00 0.03 0.01 0.00 2.11 0.00 0.00 58.89 61.04 3g61 h TRP 228 Cb 0.00 -0.30 -0.04 0.00 -2.10 0.00 0.00 29.16 26.72 3g61 h TRP 228 CO -0.05 0.45 0.49 0.00 -2.79 0.00 0.00 178.44 176.55 3g61 h ALA 229 N 1.42 1.48 -0.03 2.65 0.00 -1.43 -2.30 119.26 121.06 3g61 h ALA 229 Ca 0.38 -0.05 -0.26 0.00 0.00 0.00 0.00 54.91 54.99 3g61 h ALA 229 Cb 0.24 -0.30 0.02 0.00 0.00 0.00 0.00 17.79 17.75 3g61 h ALA 229 CO -0.20 0.48 -0.99 0.87 0.00 0.00 0.00 179.25 179.41 3g61 h LYS 230 N 1.00 0.70 -0.80 0.00 1.79 -0.87 -1.36 116.57 117.03 3g61 h LYS 230 Ca 0.28 -0.72 0.08 0.00 -2.18 0.00 0.00 60.65 58.11 3g61 h LYS 230 Cb -0.10 0.19 -0.07 0.00 -1.58 0.00 0.00 32.23 30.68 3g61 h LYS 230 CO -0.06 1.30 0.47 0.82 -1.08 0.00 0.00 179.45 180.90 3g61 h ILE 231 N 0.41 0.95 0.00 1.86 1.08 -0.99 0.55 117.51 121.37 3g61 h ILE 231 Ca -0.11 -0.28 0.00 0.00 -0.39 0.00 0.00 64.86 64.08 3g61 h ILE 231 Cb 1.64 0.07 0.00 0.00 -3.07 0.00 0.00 36.82 35.45 3g61 h ILE 231 CO 0.19 0.15 -0.68 0.18 -0.69 0.00 0.00 178.15 177.30 3g61 n LEU 232 N -4.72 0.61 0.07 1.44 7.99 -0.90 -1.83 117.00 119.66 3g61 n LEU 232 Ca 0.12 0.08 -0.07 0.00 -0.01 0.00 0.00 56.01 56.14 3g61 n LEU 232 Cb 0.24 -0.18 0.08 0.00 -0.11 0.00 0.00 43.42 43.45 3g61 n LEU 232 CO 0.28 0.03 0.43 0.28 -1.51 0.00 0.00 177.39 176.90 3g61 h SER 233 N 0.00 0.35 -0.03 -1.43 0.02 -0.30 0.22 113.55 112.37 3g61 h SER 233 Ca 0.00 -0.21 -0.20 0.00 -0.84 0.00 0.00 61.79 60.53 3g61 h SER 233 Cb 0.66 -0.10 0.01 0.00 0.14 0.00 0.00 62.40 63.11 3g61 h SER 233 CO 0.00 0.90 -0.78 -1.28 -1.14 0.00 0.00 176.83 174.54 3g61 h SER 234 N 0.21 0.74 -0.94 3.07 0.87 -0.95 -2.01 113.55 114.55 3g61 h SER 234 Ca -0.01 -0.72 0.14 0.00 -1.23 0.00 0.00 61.79 59.96 3g61 h SER 234 Cb 1.19 -0.23 -0.08 0.00 -0.44 0.00 0.00 62.40 62.85 3g61 h SER 234 CO 0.11 1.36 0.60 0.15 -0.53 0.00 0.00 176.83 178.51 3g61 h PHE 235 N 0.20 0.94 -0.38 2.24 3.57 -1.07 0.27 116.94 122.71 3g61 h PHE 235 Ca -0.09 0.03 0.04 0.00 3.53 0.00 0.00 57.97 61.48 3g61 h PHE 235 Cb 1.45 -0.30 -0.04 0.00 2.79 0.00 0.00 35.95 39.86 3g61 h PHE 235 CO 0.12 0.35 0.17 1.15 -2.23 0.00 0.00 178.31 177.86 3g61 h THR 236 N 0.80 0.94 -0.58 4.41 2.02 -0.15 -1.84 112.91 118.50 3g61 h THR 236 Ca 0.47 -0.12 -0.03 0.00 0.77 0.00 0.00 66.41 67.50 3g61 h THR 236 Cb 0.66 0.56 -0.03 0.00 -1.74 0.00 0.00 68.15 67.60 3g61 h THR 236 CO -0.24 0.06 0.23 0.44 0.37 0.00 0.00 175.52 176.39 3g61 h ASP 237 N 0.35 0.77 -0.28 4.18 3.45 -0.26 -0.01 116.42 124.61 3g61 h ASP 237 Ca 0.17 -0.10 -0.01 0.00 0.43 0.00 0.00 57.03 57.52 3g61 h ASP 237 Cb 0.11 -0.20 -0.02 0.00 -0.56 0.00 0.00 39.33 38.67 3g61 h ASP 237 CO -0.14 0.69 0.15 0.50 -1.57 0.00 0.00 179.24 178.87 3g61 h LYS 238 N 0.83 0.42 -0.01 3.56 3.11 -0.59 0.18 116.57 124.08 3g61 h LYS 238 Ca 0.20 -0.04 -0.09 0.00 -2.81 0.00 0.00 60.65 57.91 3g61 h LYS 238 Cb 0.17 -0.09 -0.01 0.00 -1.00 0.00 0.00 32.23 31.29 3g61 h LYS 238 CO -0.02 0.33 -0.43 0.93 -2.81 0.00 0.00 179.45 177.46 3g61 h GLU 239 N 0.43 0.02 0.00 1.90 4.39 -0.25 -2.06 114.58 119.01 3g61 h GLU 239 Ca 0.11 -0.01 -0.10 0.00 0.34 0.00 0.00 59.36 59.70 3g61 h GLU 239 Cb 0.05 -0.00 -0.01 0.00 -0.10 0.00 0.00 28.75 28.68 3g61 h GLU 239 CO -0.02 0.44 -0.47 -0.07 -1.16 0.00 0.00 179.01 177.73 3g61 h LEU 240 N 0.01 0.00 0.07 1.33 3.38 0.24 -1.89 115.31 118.46 3g61 h LEU 240 Ca -0.00 0.00 -0.00 0.00 0.09 0.00 0.00 57.88 57.96 3g61 h LEU 240 Cb 0.76 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.51 3g61 h LEU 240 CO 0.06 0.47 -0.04 0.45 0.09 0.00 0.00 178.44 179.47 3g61 h HIS 241 N 0.00 -0.09 -0.85 1.13 3.86 -1.08 -1.76 115.15 116.36 3g61 h HIS 241 Ca -0.00 -0.00 0.25 0.00 -1.16 0.00 0.00 60.37 59.45 3g61 h HIS 241 Cb 1.05 0.03 -0.03 0.00 1.06 0.00 0.00 27.41 29.52 3g61 h HIS 241 CO 0.00 0.13 0.62 0.00 0.86 0.00 0.00 177.93 179.54 3g61 h ALA 242 N -0.81 2.79 0.27 2.45 0.00 -1.47 0.19 119.26 122.69 3g61 h ALA 242 Ca -0.01 -0.03 -0.01 0.00 0.00 0.00 0.00 54.91 54.86 3g61 h ALA 242 Cb 0.26 0.06 0.00 0.00 0.00 0.00 0.00 17.79 18.12 3g61 h ALA 242 CO 0.02 -1.05 -0.13 -0.92 0.00 0.00 0.00 179.25 177.16 3g61 h TYR 243 N 0.00 -0.34 -0.53 0.00 -0.00 -1.37 -2.08 116.97 112.65 3g61 h TYR 243 Ca 0.40 -0.01 0.08 0.00 -0.00 0.00 0.00 58.73 59.20 3g61 h TYR 243 Cb 1.63 0.11 -0.03 0.00 -0.00 0.00 0.00 36.73 38.45 3g61 h TYR 243 CO 0.00 -0.02 0.36 0.00 -0.00 0.00 0.00 178.16 178.50 3g61 h ALA 244 N -0.08 1.99 -0.10 1.82 0.00 0.27 -1.41 119.26 121.75 3g61 h ALA 244 Ca -0.04 -0.01 -0.02 0.00 0.00 0.00 0.00 54.91 54.84 3g61 h ALA 244 Cb 0.47 -0.09 -0.00 0.00 0.00 0.00 0.00 17.79 18.18 3g61 h ALA 244 CO 0.06 -0.09 -0.01 -0.22 0.00 0.00 0.00 179.25 178.98 3g61 h LYS 245 N 0.39 0.19 -0.92 0.00 1.63 -1.24 -2.39 116.57 114.22 3g61 h LYS 245 Ca 0.24 -0.07 0.04 0.00 -0.85 0.00 0.00 60.65 60.01 3g61 h LYS 245 Cb 0.43 -0.01 -0.06 0.00 -0.60 0.00 0.00 32.23 31.99 3g61 h LYS 245 CO -0.06 0.47 0.61 0.00 -3.45 0.00 0.00 179.45 177.02 3g61 h ALA 246 N 0.71 1.43 -0.13 5.00 0.00 -0.85 -2.43 119.26 122.99 3g61 h ALA 246 Ca 0.03 -0.04 0.02 0.00 0.00 0.00 0.00 54.91 54.92 3g61 h ALA 246 Cb 0.40 -0.31 -0.02 0.00 0.00 0.00 0.00 17.79 17.85 3g61 h ALA 246 CO 0.01 0.47 0.01 0.78 0.00 0.00 0.00 179.25 180.51 3g61 h GLY 247 N 1.14 0.13 1.04 0.00 0.00 -1.05 -1.77 103.07 102.56 3g61 h GLY 247 Ca 0.38 0.00 -0.09 0.00 0.00 0.00 0.00 47.33 47.61 3g61 h GLY 247 CO -0.12 -0.01 -0.05 0.00 0.00 0.00 0.00 176.54 176.35 3g61 h ALA 248 N 1.10 0.69 0.00 3.60 0.00 -1.26 -0.38 119.26 123.01 3g61 h ALA 248 Ca 0.06 -0.32 0.00 0.00 0.00 0.00 0.00 54.91 54.65 3g61 h ALA 248 Cb 0.06 -0.18 0.00 0.00 0.00 0.00 0.00 17.79 17.67 3g61 h ALA 248 CO -0.09 0.55 0.00 0.28 0.00 0.00 0.00 179.25 179.99 3g61 n VAL 249 N -4.26 0.28 -0.10 0.00 0.31 -0.93 0.10 118.33 113.73 3g61 n VAL 249 Ca 0.01 0.07 0.02 0.00 -0.01 0.00 0.00 64.34 64.42 3g61 n VAL 249 Cb 0.36 -0.87 0.04 0.00 -0.91 0.00 0.00 33.84 32.46 3g61 n VAL 249 CO 0.00 0.00 0.00 0.00 -1.32 0.00 0.00 176.83 175.51 3g61 n ALA 250 N -1.12 2.06 -0.04 3.52 0.00 -0.29 -4.52 120.51 120.13 3g61 n ALA 250 Ca 0.08 -1.12 -0.05 0.00 0.00 0.00 0.00 53.44 52.35 3g61 n ALA 250 Cb 0.07 -0.11 -0.02 0.00 0.00 0.00 0.00 19.45 19.39 3g61 n ALA 250 CO 0.00 0.00 0.00 0.39 0.00 0.00 0.00 177.50 177.89 3g61 n GLU 251 N -0.35 0.28 -1.36 0.00 -0.58 0.28 -4.68 120.64 114.23 3g61 n GLU 251 Ca 0.03 0.11 0.18 0.00 -0.42 0.00 0.00 57.16 57.07 3g61 n GLU 251 Cb 0.31 -0.96 -0.05 0.00 -0.57 0.00 0.00 31.44 30.17 3g61 n GLU 251 CO 0.00 0.00 0.00 0.39 -0.48 0.00 0.00 177.13 177.04 3g61 n GLU 252 N -3.76 -2.84 -2.97 3.49 4.71 -1.02 -4.72 120.64 113.54 3g61 n GLU 252 Ca -0.07 1.98 -0.41 0.00 -0.01 0.00 0.00 57.16 58.65 3g61 n GLU 252 Cb 0.28 -3.43 -0.05 0.00 -1.01 0.00 0.00 31.44 27.23 3g61 n GLU 252 CO 0.00 0.00 0.00 0.08 0.09 0.00 0.00 177.13 177.30 3g61 s VAL 253 N -2.61 4.88 0.00 2.62 1.01 -1.26 -4.92 120.40 120.13 3g61 s VAL 253 Ca 0.00 1.40 0.00 0.00 0.00 0.00 0.00 61.98 63.38 3g61 s VAL 253 Cb 0.00 -4.06 0.00 0.00 0.00 0.00 0.00 36.38 32.32 3g61 s VAL 253 CO 0.00 -0.05 0.90 0.18 0.00 0.00 0.00 175.10 176.13 3g61 n LEU 254 N 5.93 1.68 0.00 3.92 7.99 -1.26 -5.01 117.00 130.24 3g61 n LEU 254 Ca 0.03 -1.68 0.00 0.00 -0.01 0.00 0.00 56.01 54.36 3g61 n LEU 254 Cb 0.48 0.00 0.00 0.00 -0.11 0.00 0.00 43.42 43.79 3g61 n LEU 254 CO 0.46 0.42 0.00 0.00 -1.51 0.00 0.00 177.39 176.76 3g61 n ALA 255 N -0.41 0.00 -1.23 -1.18 0.00 -1.26 -4.22 120.51 112.22 3g61 n ALA 255 Ca 0.00 0.00 -0.10 0.00 0.00 0.00 0.00 53.44 53.34 3g61 n ALA 255 Cb 0.27 0.00 -0.04 0.00 0.00 0.00 0.00 19.45 19.68 3g61 n ALA 255 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 3g61 n ALA 256 N -3.00 -0.15 -0.31 0.00 0.00 -1.26 -4.78 120.51 111.01 3g61 n ALA 256 Ca 0.00 0.16 0.09 0.00 0.00 0.00 0.00 53.44 53.70 3g61 n ALA 256 Cb 0.00 -1.21 0.19 0.00 0.00 0.00 0.00 19.45 18.43 3g61 n ALA 256 CO 0.00 0.00 0.00 1.51 0.00 0.00 0.00 177.50 179.01 3g61 n ILE 257 N -1.69 -0.37 0.00 0.00 0.00 -1.26 -1.57 119.36 114.48 3g61 n ILE 257 Ca -0.10 1.96 0.00 0.00 0.00 0.00 0.00 62.75 64.61 3g61 n ILE 257 Cb 0.37 -2.80 0.00 0.00 0.00 0.00 0.00 39.64 37.22 3g61 n ILE 257 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 176.55 175.41 3g61 n ARG 258 N -5.35 0.00 -0.32 9.51 0.63 -1.26 -0.51 116.66 119.36 3g61 n ARG 258 Ca 0.17 0.60 0.19 0.00 -0.92 0.00 0.00 57.85 57.89 3g61 n ARG 258 Cb 0.56 -1.33 0.36 0.00 0.45 0.00 0.00 32.46 32.51 3g61 n ARG 258 CO 0.00 0.00 0.00 2.41 -2.51 0.00 0.00 177.63 177.53 3g61 n THR 259 N -1.92 -0.40 -0.17 5.15 -1.04 -0.84 0.17 114.28 115.23 3g61 n THR 259 Ca 0.00 2.05 -0.02 0.00 -2.04 0.00 0.00 64.05 64.04 3g61 n THR 259 Cb 0.00 -3.08 0.06 0.00 -1.82 0.00 0.00 70.33 65.49 3g61 n THR 259 CO 0.00 0.00 0.00 0.58 -0.64 0.00 0.00 175.07 175.01 3g61 h VAL 260 N 0.00 0.55 -0.45 12.58 2.07 0.24 0.13 116.25 131.37 3g61 h VAL 260 Ca 0.65 -0.03 -0.08 0.00 0.82 0.00 0.00 66.70 68.06 3g61 h VAL 260 Cb 1.47 0.47 -0.02 0.00 -1.52 0.00 0.00 31.29 31.69 3g61 h VAL 260 CO -0.85 0.01 -0.05 0.40 0.02 0.00 0.00 177.57 177.11 3g61 h ILE 261 N 0.08 1.25 0.00 4.57 1.08 0.44 0.26 117.51 125.18 3g61 h ILE 261 Ca 0.26 -1.07 0.00 0.00 -0.39 0.00 0.00 64.86 63.66 3g61 h ILE 261 Cb 0.40 0.96 0.00 0.00 -3.07 0.00 0.00 36.82 35.11 3g61 h ILE 261 CO -0.47 0.37 0.00 0.00 -0.69 0.00 0.00 178.15 177.36 3g61 n ALA 262 N -2.48 1.96 0.00 1.87 0.00 -0.02 -2.24 120.51 119.60 3g61 n ALA 262 Ca 0.02 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.46 3g61 n ALA 262 Cb 0.33 -1.00 0.00 0.00 0.00 0.00 0.00 19.45 18.78 3g61 n ALA 262 CO 0.00 0.00 0.00 0.34 0.00 0.00 0.00 177.50 177.84 3g61 n PHE 263 N 0.09 0.00 0.00 0.00 7.35 0.59 -5.03 117.46 120.46 3g61 n PHE 263 Ca 0.00 0.00 0.00 0.00 -0.76 0.00 0.00 57.45 56.69 3g61 n PHE 263 Cb 0.13 0.00 0.00 0.00 0.35 0.00 0.00 39.48 39.96 3g61 n PHE 263 CO 0.00 0.00 0.00 0.41 -0.76 0.00 0.00 176.76 176.41 3g61 n GLY 264 N 1.57 1.63 3.20 7.13 0.00 0.56 -4.72 105.19 114.56 3g61 n GLY 264 Ca 0.00 -0.71 0.04 0.00 0.00 0.00 0.00 46.02 45.35 3g61 n GLY 264 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 3g61 s GLY 265 N 0.00 -0.11 0.00 -0.02 0.00 -1.26 -4.71 107.32 101.22 3g61 s GLY 265 Ca 0.00 3.12 0.00 0.00 0.00 0.00 0.00 44.72 47.84 3g61 s GLY 265 CO 0.00 3.63 0.96 -1.06 0.00 0.00 0.00 173.10 176.63 3g61 n GLN 266 N 5.15 0.00 0.00 2.90 1.13 -1.26 -4.75 117.38 120.55 3g61 n GLN 266 Ca -0.08 0.61 0.00 0.00 -1.94 0.00 0.00 57.00 55.59 3g61 n GLN 266 Cb 0.54 -1.46 0.00 0.00 0.11 0.00 0.00 30.24 29.43 3g61 n GLN 266 CO 0.00 0.00 0.00 1.63 -1.44 0.00 0.00 177.06 177.25 3g61 n LYS 267 N -2.17 0.00 -0.08 -1.09 5.02 -1.26 -4.35 118.16 114.23 3g61 n LYS 267 Ca 0.00 0.00 -0.08 0.00 -2.02 0.00 0.00 58.31 56.21 3g61 n LYS 267 Cb 0.00 -2.01 -0.03 0.00 -0.02 0.00 0.00 35.03 32.98 3g61 n LYS 267 CO 0.00 0.00 0.00 1.17 -0.52 0.00 0.00 177.40 178.05 3g61 n LYS 268 N -0.92 0.48 0.00 1.97 0.00 -1.26 -4.31 118.16 114.11 3g61 n LYS 268 Ca 0.00 0.24 0.00 0.00 0.00 0.00 0.00 58.31 58.55 3g61 n LYS 268 Cb 0.00 -1.40 0.00 0.00 0.00 0.00 0.00 35.03 33.63 3g61 n LYS 268 CO 0.00 0.00 0.00 0.39 0.00 0.00 0.00 177.40 177.79 3g61 n GLU 269 N -4.33 0.00 -0.30 1.64 1.02 -1.26 0.62 120.64 118.02 3g61 n GLU 269 Ca -0.12 0.70 -0.08 0.00 -0.02 0.00 0.00 57.16 57.64 3g61 n GLU 269 Cb 0.45 -1.12 -0.07 0.00 -0.02 0.00 0.00 31.44 30.68 3g61 n GLU 269 CO 0.00 0.00 0.00 1.47 1.18 0.00 0.00 177.13 179.78 3g61 n LEU 270 N -2.15 -0.76 -0.04 -4.62 -0.00 -1.26 0.12 117.00 108.30 3g61 n LEU 270 Ca 0.00 1.30 -0.08 0.00 -0.00 0.00 0.00 56.01 57.23 3g61 n LEU 270 Cb 0.00 -0.18 -0.02 0.00 -0.00 0.00 0.00 43.42 43.22 3g61 n LEU 270 CO 0.00 -1.05 0.77 -0.08 -0.00 0.00 0.00 177.39 177.03 3g61 h GLU 271 N 0.00 -0.12 -0.06 1.47 4.22 -1.22 0.27 114.58 119.14 3g61 h GLU 271 Ca 0.11 0.01 0.01 0.00 0.08 0.00 0.00 59.36 59.57 3g61 h GLU 271 Cb 0.29 0.03 -0.01 0.00 0.50 0.00 0.00 28.75 29.56 3g61 h GLU 271 CO -0.67 -0.08 -0.10 -0.09 -2.18 0.00 0.00 179.01 175.89 3g61 h ARG 272 N -0.12 -0.07 -0.04 1.92 9.65 0.66 0.14 114.38 126.51 3g61 h ARG 272 Ca 0.12 0.00 -0.07 0.00 -1.10 0.00 0.00 59.98 58.93 3g61 h ARG 272 Cb 0.30 0.02 -0.01 0.00 -1.39 0.00 0.00 29.97 28.89 3g61 h ARG 272 CO -0.28 -0.05 -0.32 1.88 2.80 0.00 0.00 179.97 184.00 3g61 h TYR 273 N -0.08 0.08 0.00 2.20 0.99 -1.26 -1.62 116.97 117.28 3g61 h TYR 273 Ca 0.01 -0.02 0.00 0.00 2.00 0.00 0.00 58.73 60.72 3g61 h TYR 273 Cb 0.11 -0.02 0.00 0.00 1.00 0.00 0.00 36.73 37.82 3g61 h TYR 273 CO -0.59 0.39 0.00 0.09 -0.00 0.00 0.00 178.16 178.05 3g61 n ASN 274 N -4.14 0.00 -0.20 3.88 5.03 0.94 -2.13 115.26 118.63 3g61 n ASN 274 Ca -0.02 0.26 0.24 0.00 0.87 0.00 0.00 54.58 55.93 3g61 n ASN 274 Cb 0.38 0.00 0.62 0.00 -1.02 0.00 0.00 39.78 39.75 3g61 n ASN 274 CO 0.00 0.00 0.00 0.78 -1.83 0.00 0.00 177.26 176.21 3g61 h ASN 275 N 0.00 0.20 0.00 6.41 4.21 -1.10 -1.70 115.58 123.60 3g61 h ASN 275 Ca 0.00 0.02 0.00 0.00 1.21 0.00 0.00 56.30 57.53 3g61 h ASN 275 Cb 0.00 -0.01 0.00 0.00 -1.12 0.00 0.00 38.32 37.19 3g61 h ASN 275 CO 0.00 0.08 0.00 -3.20 -1.29 0.00 0.00 177.43 173.02 3g61 n ASN 276 N -4.40 0.00 -0.24 5.81 4.05 -0.61 0.11 115.26 119.99 3g61 n ASN 276 Ca 0.19 0.13 0.25 0.00 0.45 0.00 0.00 54.58 55.59 3g61 n ASN 276 Cb 0.82 0.00 0.61 0.00 1.23 0.00 0.00 39.78 42.44 3g61 n ASN 276 CO 0.00 0.00 0.00 -0.07 -3.05 0.00 0.00 177.26 174.14 3g61 h LEU 277 N 0.00 0.22 0.00 1.20 -0.00 -1.44 -1.42 115.31 113.88 3g61 h LEU 277 Ca 0.00 0.03 0.00 0.00 -0.00 0.00 0.00 57.88 57.91 3g61 h LEU 277 Cb 0.00 -0.01 0.00 0.00 -0.00 0.00 0.00 40.66 40.65 3g61 h LEU 277 CO 0.00 0.07 0.00 -0.62 -0.00 0.00 0.00 178.44 177.89 3g61 n GLU 278 N -4.41 0.00 -0.25 1.13 1.02 -0.64 -1.50 120.64 115.99 3g61 n GLU 278 Ca 0.20 0.32 0.08 0.00 -0.02 0.00 0.00 57.16 57.74 3g61 n GLU 278 Cb 0.87 -1.25 0.17 0.00 -0.02 0.00 0.00 31.44 31.21 3g61 n GLU 278 CO 0.00 0.00 0.00 0.39 1.18 0.00 0.00 177.13 178.70 3g61 n GLU 279 N -1.45 -0.06 0.00 3.49 1.02 0.31 0.71 120.64 124.66 3g61 n GLU 279 Ca 0.00 1.10 0.00 0.00 -0.02 0.00 0.00 57.16 58.24 3g61 n GLU 279 Cb 0.00 -1.71 0.00 0.00 -0.02 0.00 0.00 31.44 29.71 3g61 n GLU 279 CO 0.00 0.00 0.00 0.00 1.18 0.00 0.00 177.13 178.31 3g61 n ALA 280 N -3.45 -0.21 0.29 0.62 0.00 -0.58 -1.71 120.51 115.47 3g61 n ALA 280 Ca 0.15 0.00 0.02 0.00 0.00 0.00 0.00 53.44 53.61 3g61 n ALA 280 Cb 0.49 0.05 0.13 0.00 0.00 0.00 0.00 19.45 20.11 3g61 n ALA 280 CO 0.00 0.00 0.00 1.63 0.00 0.00 0.00 177.50 179.13 3g61 n LYS 281 N -1.31 0.14 0.00 0.00 4.01 -0.56 -1.74 118.16 118.71 3g61 n LYS 281 Ca 0.00 0.00 0.00 0.00 -0.51 0.00 0.00 58.31 57.80 3g61 n LYS 281 Cb 0.00 -1.46 0.00 0.00 -0.51 0.00 0.00 35.03 33.06 3g61 n LYS 281 CO 0.00 0.00 0.00 0.54 -1.11 0.00 0.00 177.40 176.83 3g61 n ARG 282 N -0.96 0.00 -0.33 1.97 5.12 0.22 -1.63 116.66 121.04 3g61 n ARG 282 Ca 0.03 0.00 0.22 0.00 -1.93 0.00 0.00 57.85 56.17 3g61 n ARG 282 Cb 0.01 -0.37 0.42 0.00 -1.16 0.00 0.00 32.46 31.36 3g61 n ARG 282 CO 0.00 0.00 0.00 1.37 -1.93 0.00 0.00 177.63 177.07 3g61 h LEU 283 N 0.00 -0.12 0.53 0.55 8.10 -1.19 1.29 115.31 124.47 3g61 h LEU 283 Ca 0.00 0.27 -0.03 0.00 0.11 0.00 0.00 57.88 58.23 3g61 h LEU 283 Cb 0.00 0.39 0.01 0.00 -0.44 0.00 0.00 40.66 40.61 3g61 h LEU 283 CO 0.00 -0.38 -0.25 1.23 -4.11 0.00 0.00 178.44 174.92 3g61 h GLY 284 N 0.02 -0.74 2.00 0.17 0.00 -1.51 0.59 103.07 103.60 3g61 h GLY 284 Ca 0.70 0.28 -0.02 0.00 0.00 0.00 0.00 47.33 48.29 3g61 h GLY 284 CO -0.85 -0.27 -0.10 1.19 0.00 0.00 0.00 176.54 176.51 3g61 h ILE 285 N -0.88 0.45 -0.00 2.60 2.10 0.08 0.52 117.51 122.38 3g61 h ILE 285 Ca -0.07 -0.52 0.00 0.00 1.08 0.00 0.00 64.86 65.35 3g61 h ILE 285 Cb 0.61 1.36 0.00 0.00 -1.09 0.00 0.00 36.82 37.70 3g61 h ILE 285 CO 0.12 0.10 -0.03 0.29 -1.08 0.00 0.00 178.15 177.55 3g61 n LYS 286 N -3.51 0.23 -0.02 2.19 4.01 0.42 0.13 118.16 121.61 3g61 n LYS 286 Ca -0.02 -0.02 -0.21 0.00 -0.51 0.00 0.00 58.31 57.56 3g61 n LYS 286 Cb 0.24 -1.50 -0.14 0.00 -0.51 0.00 0.00 35.03 33.13 3g61 n LYS 286 CO 0.00 0.00 0.00 1.17 -1.11 0.00 0.00 177.40 177.46 3g61 n LYS 287 N -1.37 0.74 0.16 1.97 4.81 0.20 -1.29 118.16 123.37 3g61 n LYS 287 Ca 0.10 0.26 0.04 0.00 -0.87 0.00 0.00 58.31 57.84 3g61 n LYS 287 Cb 0.29 -1.68 0.11 0.00 0.02 0.00 0.00 35.03 33.77 3g61 n LYS 287 CO 0.00 0.00 0.00 0.00 1.17 0.00 0.00 177.40 178.57 3g61 h ALA 288 N 0.02 0.75 -0.07 3.14 0.00 -0.98 0.37 119.26 122.49 3g61 h ALA 288 Ca -0.44 -0.41 -0.05 0.00 0.00 0.00 0.00 54.91 54.00 3g61 h ALA 288 Cb 1.98 -0.07 0.00 0.00 0.00 0.00 0.00 17.79 19.70 3g61 h ALA 288 CO 0.05 0.57 -0.14 0.82 0.00 0.00 0.00 179.25 180.54 3g61 h ILE 289 N 0.00 1.41 0.00 0.00 1.08 0.10 0.98 117.51 121.08 3g61 h ILE 289 Ca -0.00 -1.44 0.00 0.00 -0.39 0.00 0.00 64.86 63.02 3g61 h ILE 289 Cb 1.25 2.18 0.00 0.00 -3.07 0.00 0.00 36.82 37.18 3g61 h ILE 289 CO 0.06 0.40 0.00 0.35 -0.69 0.00 0.00 178.15 178.27 3g61 n THR 290 N -4.61 0.87 0.08 -0.27 -2.24 -0.41 -0.04 114.28 107.66 3g61 n THR 290 Ca -0.08 0.23 0.03 0.00 -2.27 0.00 0.00 64.05 61.96 3g61 n THR 290 Cb 0.38 -1.11 -0.03 0.00 -2.10 0.00 0.00 70.33 67.46 3g61 n THR 290 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 3g61 h ALA 291 N 2.33 0.65 0.00 6.98 0.00 0.13 0.85 119.26 130.20 3g61 h ALA 291 Ca 0.00 -0.59 0.00 0.00 0.00 0.00 0.00 54.91 54.32 3g61 h ALA 291 Cb 0.34 0.14 0.00 0.00 0.00 0.00 0.00 17.79 18.27 3g61 h ALA 291 CO 0.00 0.68 -0.56 -0.97 0.00 0.00 0.00 179.25 178.39 3g61 h ASN 292 N 0.00 0.00 0.81 0.00 -0.73 0.31 0.92 115.58 116.89 3g61 h ASN 292 Ca -0.09 -0.08 -0.09 0.00 1.87 0.00 0.00 56.30 57.91 3g61 h ASN 292 Cb 1.43 0.00 -0.02 0.00 0.27 0.00 0.00 38.32 40.00 3g61 h ASN 292 CO 0.04 0.04 -1.25 -0.38 -0.37 0.00 0.00 177.43 175.51 3g61 n ILE 293 N -2.52 0.89 1.01 2.57 2.08 0.95 0.59 119.36 124.93 3g61 n ILE 293 Ca 0.03 -0.62 0.13 0.00 0.56 0.00 0.00 62.75 62.84 3g61 n ILE 293 Cb 0.49 -0.53 0.39 0.00 -0.75 0.00 0.00 39.64 39.24 3g61 n ILE 293 CO 0.00 0.00 0.00 -1.20 0.56 0.00 0.00 176.55 175.91 3g61 n SER 294 N -2.77 0.33 -0.07 4.38 7.64 0.29 -1.59 113.62 121.84 3g61 n SER 294 Ca -0.05 0.01 -0.04 0.00 1.01 0.00 0.00 58.87 59.79 3g61 n SER 294 Cb 0.70 -0.02 -0.01 0.00 -1.01 0.00 0.00 64.21 63.86 3g61 n SER 294 CO 0.00 0.00 0.00 0.24 -3.01 0.00 0.00 175.04 172.27 3g61 h MET 295 N 0.02 0.00 -0.81 1.43 2.07 0.11 0.07 114.93 117.83 3g61 h MET 295 Ca 0.00 0.00 0.23 0.00 -2.07 0.00 0.00 59.70 57.86 3g61 h MET 295 Cb 0.50 0.00 -0.03 0.00 -1.87 0.00 0.00 31.60 30.20 3g61 h MET 295 CO 0.00 0.00 0.66 0.78 1.07 0.00 0.00 176.91 179.42 3g61 h GLY 296 N -0.98 0.00 1.28 8.32 0.00 0.07 1.72 103.07 113.48 3g61 h GLY 296 Ca 0.00 0.00 -0.30 0.00 0.00 0.00 0.00 47.33 47.03 3g61 h GLY 296 CO 0.00 0.00 -1.24 0.00 0.00 0.00 0.00 176.54 175.30 3g61 h ALA 297 N 1.44 0.01 0.39 3.60 0.00 -1.39 -1.31 119.26 122.00 3g61 h ALA 297 Ca 0.38 -0.78 -0.02 0.00 0.00 0.00 0.00 54.91 54.49 3g61 h ALA 297 Cb 1.70 0.10 0.00 0.00 0.00 0.00 0.00 17.79 19.60 3g61 h ALA 297 CO -0.00 0.71 -0.19 0.00 0.00 0.00 0.00 179.25 179.77 3g61 h ALA 298 N 0.33 -1.02 -0.84 0.00 0.00 0.41 0.87 119.26 119.00 3g61 h ALA 298 Ca -0.18 -0.11 0.21 0.00 0.00 0.00 0.00 54.91 54.82 3g61 h ALA 298 Cb 1.91 0.20 -0.15 0.00 0.00 0.00 0.00 17.79 19.76 3g61 h ALA 298 CO 0.23 -0.99 0.04 0.74 0.00 0.00 0.00 179.25 179.28 3g61 h PHE 299 N -0.57 0.00 0.00 0.00 0.04 0.95 1.47 116.94 118.83 3g61 h PHE 299 Ca -0.05 0.06 -0.06 0.00 2.80 0.00 0.00 57.97 60.71 3g61 h PHE 299 Cb 0.40 0.13 -0.01 0.00 2.20 0.00 0.00 35.95 38.68 3g61 h PHE 299 CO 0.12 -0.29 -0.30 -0.07 -0.60 0.00 0.00 178.31 177.16 3g61 h LEU 300 N 0.09 0.00 0.32 1.54 3.38 -1.19 0.83 115.31 120.28 3g61 h LEU 300 Ca 0.49 0.00 -0.02 0.00 0.09 0.00 0.00 57.88 58.44 3g61 h LEU 300 Cb 0.92 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.67 3g61 h LEU 300 CO -0.74 0.30 -0.15 0.25 0.09 0.00 0.00 178.44 178.19 3g61 h LEU 301 N 0.00 -0.36 -0.43 1.67 5.85 0.68 0.85 115.31 123.58 3g61 h LEU 301 Ca -0.00 0.01 0.09 0.00 0.84 0.00 0.00 57.88 58.82 3g61 h LEU 301 Cb 1.02 0.09 -0.08 0.00 0.37 0.00 0.00 40.66 42.06 3g61 h LEU 301 CO 0.04 0.03 -0.12 0.40 -0.34 0.00 0.00 178.44 178.45 3g61 h ILE 302 N -1.01 0.54 -0.31 4.05 2.04 0.17 0.41 117.51 123.40 3g61 h ILE 302 Ca -0.04 0.00 0.07 0.00 1.00 0.00 0.00 64.86 65.88 3g61 h ILE 302 Cb 0.33 0.54 -0.07 0.00 -0.74 0.00 0.00 36.82 36.89 3g61 h ILE 302 CO 0.07 0.00 -0.13 0.22 0.00 0.00 0.00 178.15 178.31 3g61 h TYR 303 N -0.02 -0.31 -0.79 1.37 5.03 0.64 0.93 116.97 123.82 3g61 h TYR 303 Ca 0.21 0.03 0.15 0.00 2.58 0.00 0.00 58.73 61.70 3g61 h TYR 303 Cb 0.33 0.18 -0.10 0.00 1.55 0.00 0.00 36.73 38.70 3g61 h TYR 303 CO -0.39 -0.20 0.33 0.00 -1.32 0.00 0.00 178.16 176.58 3g61 h ALA 304 N 1.18 1.14 -1.00 1.82 0.00 0.19 1.43 119.26 124.02 3g61 h ALA 304 Ca 0.16 0.12 0.13 0.00 0.00 0.00 0.00 54.91 55.32 3g61 h ALA 304 Cb 0.31 0.09 -0.09 0.00 0.00 0.00 0.00 17.79 18.10 3g61 h ALA 304 CO -0.36 -0.21 0.62 1.03 0.00 0.00 0.00 179.25 180.33 3g61 h SER 305 N 0.46 0.89 -0.40 0.00 0.87 0.46 0.40 113.55 116.23 3g61 h SER 305 Ca 0.44 0.06 0.08 0.00 -1.23 0.00 0.00 61.79 61.14 3g61 h SER 305 Cb 0.69 -0.12 -0.09 0.00 -0.44 0.00 0.00 62.40 62.44 3g61 h SER 305 CO -0.42 0.45 -0.29 0.22 -0.53 0.00 0.00 176.83 176.26 3g61 h TYR 306 N 0.95 -0.79 -0.56 2.24 3.20 0.74 0.32 116.97 123.07 3g61 h TYR 306 Ca 0.51 0.05 0.09 0.00 3.14 0.00 0.00 58.73 62.52 3g61 h TYR 306 Cb 0.57 0.41 -0.07 0.00 1.54 0.00 0.00 36.73 39.18 3g61 h TYR 306 CO -0.01 -0.36 0.18 0.00 -1.64 0.00 0.00 178.16 176.34 3g61 h ALA 307 N 0.87 0.69 -3.00 1.82 0.00 0.71 0.59 119.26 120.94 3g61 h ALA 307 Ca 0.18 0.09 0.00 0.00 0.00 0.00 0.00 54.91 55.18 3g61 h ALA 307 Cb 0.51 0.07 0.00 0.00 0.00 0.00 0.00 17.79 18.38 3g61 h ALA 307 CO -0.53 -0.23 0.00 -0.11 0.00 0.00 0.00 179.25 178.39 3g61 n LEU 308 N -5.03 0.00 -0.33 0.00 7.94 0.03 -0.61 117.00 119.00 3g61 n LEU 308 Ca 0.07 0.32 0.20 0.00 -1.11 0.00 0.00 56.01 55.49 3g61 n LEU 308 Cb 0.25 0.00 0.41 0.00 0.53 0.00 0.00 43.42 44.62 3g61 n LEU 308 CO 0.22 0.00 1.09 0.00 -1.11 0.00 0.00 177.39 177.59 3g61 h ALA 309 N -2.19 1.78 -3.00 1.96 0.00 -1.34 0.11 119.26 116.59 3g61 h ALA 309 Ca 0.00 0.18 0.00 0.00 0.00 0.00 0.00 54.91 55.09 3g61 h ALA 309 Cb 0.00 0.15 0.00 0.00 0.00 0.00 0.00 17.79 17.94 3g61 h ALA 309 CO 0.00 -0.47 0.00 0.34 0.00 0.00 0.00 179.25 179.12 3g61 n PHE 310 N -5.04 0.00 -0.34 0.00 -0.00 0.20 -1.54 117.46 110.74 3g61 n PHE 310 Ca 0.28 0.00 0.22 0.00 -0.00 0.00 0.00 57.45 57.96 3g61 n PHE 310 Cb 0.86 0.00 0.46 0.00 -0.00 0.00 0.00 39.48 40.80 3g61 n PHE 310 CO 0.00 0.00 0.00 -1.49 -0.00 0.00 0.00 176.76 175.27 3g61 h TRP 311 N 0.00 0.92 0.00 -5.13 -0.00 -0.55 -1.64 115.95 109.55 3g61 h TRP 311 Ca 0.00 0.04 0.00 0.00 -0.00 0.00 0.00 58.89 58.93 3g61 h TRP 311 Cb 0.00 -0.25 0.00 0.00 -0.00 0.00 0.00 29.16 28.91 3g61 h TRP 311 CO 0.00 -0.08 0.00 0.98 -0.00 0.00 0.00 178.44 179.34 3g61 n TYR 312 N -4.95 0.00 -0.39 0.49 9.36 0.37 0.87 117.16 122.91 3g61 n TYR 312 Ca 0.30 0.00 0.32 0.00 3.32 0.00 0.00 57.90 61.84 3g61 n TYR 312 Cb 0.92 -0.43 0.63 0.00 -0.63 0.00 0.00 39.34 39.82 3g61 n TYR 312 CO 0.00 0.00 0.00 0.78 0.22 0.00 0.00 176.86 177.86 3g61 h GLY 313 N 0.00 0.90 0.25 2.98 0.00 -1.05 -0.27 103.07 105.88 3g61 h GLY 313 Ca 0.00 -0.12 -0.01 0.00 0.00 0.00 0.00 47.33 47.20 3g61 h GLY 313 CO 0.00 -0.18 -0.12 -0.84 0.00 0.00 0.00 176.54 175.39 3g61 h THR 314 N 0.18 0.00 -0.35 4.70 2.02 -1.17 -1.80 112.91 116.49 3g61 h THR 314 Ca 0.69 -0.37 0.06 0.00 0.77 0.00 0.00 66.41 67.56 3g61 h THR 314 Cb 2.17 0.00 -0.06 0.00 -1.74 0.00 0.00 68.15 68.52 3g61 h THR 314 CO -0.25 0.00 -0.11 -1.20 0.37 0.00 0.00 175.52 174.32 3g61 n SER 315 N -3.93 -0.18 0.16 4.18 7.64 0.25 0.31 113.62 122.05 3g61 n SER 315 Ca -0.04 0.61 -0.06 0.00 1.01 0.00 0.00 58.87 60.38 3g61 n SER 315 Cb 0.13 -0.16 -0.03 0.00 -1.01 0.00 0.00 64.21 63.14 3g61 n SER 315 CO 0.00 0.00 0.00 0.25 -3.01 0.00 0.00 175.04 172.28 3g61 h LEU 316 N 0.00 -0.36 -0.60 -3.43 6.46 -1.44 -1.65 115.31 114.28 3g61 h LEU 316 Ca 0.14 0.01 0.00 0.00 -0.12 0.00 0.00 57.88 57.92 3g61 h LEU 316 Cb 0.23 0.09 0.00 0.00 -0.73 0.00 0.00 40.66 40.25 3g61 h LEU 316 CO -0.35 -0.16 0.00 0.52 -0.62 0.00 0.00 178.44 177.83 3g61 n VAL 317 N -3.68 0.00 -0.43 1.05 0.31 0.15 -0.66 118.33 115.07 3g61 n VAL 317 Ca -0.05 0.00 0.00 0.00 -0.01 0.00 0.00 64.34 64.28 3g61 n VAL 317 Cb 0.17 -0.22 0.00 0.00 -0.91 0.00 0.00 33.84 32.88 3g61 n VAL 317 CO 0.00 0.00 0.00 0.00 -1.32 0.00 0.00 176.83 175.51 3g61 n ILE 318 N 0.04 0.00 -0.07 2.52 0.13 0.11 -4.19 119.36 117.89 3g61 n ILE 318 Ca 0.00 -0.05 -0.15 0.00 -1.10 0.00 0.00 62.75 61.45 3g61 n ILE 318 Cb 0.03 1.43 -0.06 0.00 -0.84 0.00 0.00 39.64 40.21 3g61 n ILE 318 CO 0.00 0.00 0.00 -0.24 2.80 0.00 0.00 176.55 179.11 3g61 n SER 319 N -0.05 1.38 0.00 9.51 2.88 0.17 -4.40 113.62 123.11 3g61 n SER 319 Ca 0.00 0.14 0.00 0.00 -1.33 0.00 0.00 58.87 57.68 3g61 n SER 319 Cb 0.11 -0.40 0.00 0.00 -0.75 0.00 0.00 64.21 63.17 3g61 n SER 319 CO 0.00 0.00 0.00 0.29 -1.23 0.00 0.00 175.04 174.10 3g61 n LYS 320 N -3.54 0.00 -1.82 -1.46 5.02 -0.12 -4.89 118.16 111.35 3g61 n LYS 320 Ca -0.29 0.00 -0.30 0.00 -2.02 0.00 0.00 58.31 55.70 3g61 n LYS 320 Cb 0.72 -0.00 0.20 0.00 -0.02 0.00 0.00 35.03 35.93 3g61 n LYS 320 CO 0.00 0.00 0.00 -1.83 -0.52 0.00 0.00 177.40 175.05 3g61 s GLU 321 N 0.00 0.26 -0.29 1.97 -1.05 -1.26 -4.53 118.70 113.80 3g61 s GLU 321 Ca 0.00 -0.42 -0.03 0.00 -0.15 0.00 0.00 54.97 54.37 3g61 s GLU 321 Cb 0.00 -1.80 0.00 0.00 -0.44 0.00 0.00 34.13 31.89 3g61 s GLU 321 CO 0.00 -2.67 0.24 0.98 0.95 0.00 0.00 175.26 174.76 3g61 n TYR 322 N -3.94 -0.84 -2.91 4.83 9.36 -1.26 -3.21 117.16 119.19 3g61 n TYR 322 Ca 0.16 0.35 -0.44 0.00 3.32 0.00 0.00 57.90 61.29 3g61 n TYR 322 Cb 0.59 -0.98 -0.03 0.00 -0.63 0.00 0.00 39.34 38.29 3g61 n TYR 322 CO 0.00 0.00 0.00 -1.12 0.22 0.00 0.00 176.86 175.96 3g61 s SER 323 N -2.00 6.38 0.00 2.98 0.01 -1.26 -3.97 113.70 115.84 3g61 s SER 323 Ca 0.03 -1.50 0.00 0.00 1.31 0.00 0.00 55.95 55.79 3g61 s SER 323 Cb -0.00 -2.40 0.00 0.00 0.21 0.00 0.00 66.02 63.83 3g61 s SER 323 CO 0.35 -1.24 0.00 2.30 0.41 0.00 0.00 173.24 175.05 3g61 n ILE 324 N 5.71 0.00 -1.58 1.44 -5.35 -1.26 -4.96 119.36 113.35 3g61 n ILE 324 Ca 0.08 -0.11 -0.11 0.00 -0.27 0.00 0.00 62.75 62.34 3g61 n ILE 324 Cb 0.47 0.99 -0.04 0.00 -1.74 0.00 0.00 39.64 39.32 3g61 n ILE 324 CO 0.00 0.00 0.00 0.61 -1.76 0.00 0.00 176.55 175.40 3g61 n GLY 325 N 0.22 0.68 0.00 3.28 0.00 -1.26 -4.63 105.19 103.48 3g61 n GLY 325 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.02 3g61 n GLY 325 CO 0.00 0.00 0.00 -0.18 0.00 0.00 0.00 173.32 173.14 3g61 n GLN 326 N -1.97 0.79 -0.28 1.61 -0.06 -1.26 -4.70 117.38 111.51 3g61 n GLN 326 Ca -0.11 -0.01 0.22 0.00 -2.00 0.00 0.00 57.00 55.10 3g61 n GLN 326 Cb 0.42 -1.02 0.41 0.00 -4.06 0.00 0.00 30.24 25.99 3g61 n GLN 326 CO 0.00 0.00 0.00 1.33 -0.20 0.00 0.00 177.06 178.19 3g61 n VAL 327 N -1.62 -0.35 -0.43 1.69 0.24 -1.26 0.26 118.33 116.85 3g61 n VAL 327 Ca -0.00 1.76 0.35 0.00 -2.04 0.00 0.00 64.34 64.41 3g61 n VAL 327 Cb 0.12 -2.76 0.64 0.00 -1.47 0.00 0.00 33.84 30.37 3g61 n VAL 327 CO 0.00 0.00 0.00 0.17 -2.14 0.00 0.00 176.83 174.86 3g61 h LEU 328 N 0.00 0.25 -0.40 1.34 8.10 -1.97 0.49 115.31 123.12 3g61 h LEU 328 Ca 0.65 0.10 0.06 0.00 0.11 0.00 0.00 57.88 58.79 3g61 h LEU 328 Cb 1.61 0.08 -0.08 0.00 -0.44 0.00 0.00 40.66 41.82 3g61 h LEU 328 CO -0.70 -0.09 -0.51 0.74 -4.11 0.00 0.00 178.44 173.77 3g61 h THR 329 N 0.14 0.04 0.45 0.15 2.02 0.32 0.35 112.91 116.37 3g61 h THR 329 Ca 0.75 0.00 -0.02 0.00 0.77 0.00 0.00 66.41 67.91 3g61 h THR 329 Cb 2.40 0.04 0.00 0.00 -1.74 0.00 0.00 68.15 68.85 3g61 h THR 329 CO -0.32 0.00 -0.22 0.58 0.37 0.00 0.00 175.52 175.94 3g61 h VAL 330 N -0.38 0.00 -0.25 3.16 2.07 -0.19 -1.50 116.25 119.16 3g61 h VAL 330 Ca 0.10 -0.16 0.03 0.00 0.82 0.00 0.00 66.70 67.48 3g61 h VAL 330 Cb 0.60 0.00 -0.05 0.00 -1.52 0.00 0.00 31.29 30.32 3g61 h VAL 330 CO -0.59 0.00 -0.35 -0.26 0.02 0.00 0.00 177.57 176.40 3g61 h PHE 331 N -0.77 -1.06 -0.63 1.57 -1.00 -1.26 -0.54 116.94 113.24 3g61 h PHE 331 Ca -0.06 0.05 0.12 0.00 2.81 0.00 0.00 57.97 60.89 3g61 h PHE 331 Cb 0.46 0.50 -0.12 0.00 3.61 0.00 0.00 35.95 40.40 3g61 h PHE 331 CO 0.07 -0.31 -0.29 0.35 -1.61 0.00 0.00 178.31 176.52 3g61 h PHE 332 N -0.25 -0.76 0.01 -0.55 3.04 -0.43 -1.96 116.94 116.04 3g61 h PHE 332 Ca 0.04 0.07 0.00 0.00 3.98 0.00 0.00 57.97 62.07 3g61 h PHE 332 Cb 0.37 0.43 -0.01 0.00 2.56 0.00 0.00 35.95 39.30 3g61 h PHE 332 CO -0.68 -0.36 -0.06 1.03 -2.02 0.00 0.00 178.31 176.22 3g61 h SER 333 N -0.11 -0.17 -1.03 0.41 0.87 -0.07 -2.06 113.55 111.39 3g61 h SER 333 Ca 0.27 0.02 0.26 0.00 -1.23 0.00 0.00 61.79 61.11 3g61 h SER 333 Cb 0.54 0.06 -0.08 0.00 -0.44 0.00 0.00 62.40 62.48 3g61 h SER 333 CO -0.70 -0.06 0.68 1.62 -0.53 0.00 0.00 176.83 177.84 3g61 h VAL 334 N -0.08 0.54 0.09 2.23 3.04 -1.02 0.68 116.25 121.73 3g61 h VAL 334 Ca -0.00 -0.12 0.02 0.00 -1.01 0.00 0.00 66.70 65.59 3g61 h VAL 334 Cb 0.08 0.17 -0.05 0.00 -2.01 0.00 0.00 31.29 29.48 3g61 h VAL 334 CO -0.03 0.06 -0.43 0.25 -1.01 0.00 0.00 177.57 176.41 3g61 h LEU 335 N 0.34 -1.28 -1.92 3.16 5.85 -0.82 1.01 115.31 121.66 3g61 h LEU 335 Ca 0.56 0.14 0.36 0.00 0.84 0.00 0.00 57.88 59.79 3g61 h LEU 335 Cb 1.53 0.48 -0.05 0.00 0.37 0.00 0.00 40.66 43.00 3g61 h LEU 335 CO -0.24 -0.49 0.94 0.40 -0.34 0.00 0.00 178.44 178.72 3g61 h ILE 336 N -0.64 0.30 -0.36 4.05 1.08 0.10 0.86 117.51 122.90 3g61 h ILE 336 Ca 0.03 0.00 -0.02 0.00 -0.39 0.00 0.00 64.86 64.47 3g61 h ILE 336 Cb 0.68 0.33 -0.02 0.00 -3.07 0.00 0.00 36.82 34.74 3g61 h ILE 336 CO -0.27 0.00 0.13 1.23 -0.69 0.00 0.00 178.15 178.56 3g61 h GLY 337 N 0.00 0.59 0.49 5.37 0.00 0.18 -1.59 103.07 108.11 3g61 h GLY 337 Ca 0.58 -0.33 0.10 0.00 0.00 0.00 0.00 47.33 47.68 3g61 h GLY 337 CO -0.01 0.31 0.50 0.00 0.00 0.00 0.00 176.54 177.35 3g61 h ALA 338 N 0.98 1.26 -0.45 3.60 0.00 0.16 -0.45 119.26 124.35 3g61 h ALA 338 Ca 0.12 0.03 -0.05 0.00 0.00 0.00 0.00 54.91 55.01 3g61 h ALA 338 Cb 0.21 -0.14 -0.02 0.00 0.00 0.00 0.00 17.79 17.84 3g61 h ALA 338 CO -0.01 0.11 0.07 0.74 0.00 0.00 0.00 179.25 180.17 3g61 h PHE 339 N 0.82 0.71 -0.64 0.00 0.05 -1.02 -0.94 116.94 115.92 3g61 h PHE 339 Ca 0.42 -0.07 0.04 0.00 3.82 0.00 0.00 57.97 62.19 3g61 h PHE 339 Cb 0.41 -0.21 -0.05 0.00 2.00 0.00 0.00 35.95 38.11 3g61 h PHE 339 CO -0.05 0.63 0.38 0.77 -0.18 0.00 0.00 178.31 179.85 3g61 h SER 340 N 0.66 0.59 -0.64 2.17 0.02 -0.19 0.01 113.55 116.18 3g61 h SER 340 Ca 0.15 0.01 0.13 0.00 -0.84 0.00 0.00 61.79 61.24 3g61 h SER 340 Cb 0.30 -0.11 -0.12 0.00 0.14 0.00 0.00 62.40 62.62 3g61 h SER 340 CO 0.00 0.40 -0.09 0.58 -1.14 0.00 0.00 176.83 176.59 3g61 h VAL 341 N 0.72 0.41 0.40 2.27 2.07 -0.36 0.25 116.25 122.01 3g61 h VAL 341 Ca 0.27 -0.02 -0.02 0.00 0.82 0.00 0.00 66.70 67.76 3g61 h VAL 341 Cb 0.10 0.36 -0.00 0.00 -1.52 0.00 0.00 31.29 30.22 3g61 h VAL 341 CO -0.14 0.01 -0.26 1.23 0.02 0.00 0.00 177.57 178.43 3g61 h GLY 342 N 0.05 -0.85 -0.14 2.17 0.00 -0.50 -1.40 103.07 102.39 3g61 h GLY 342 Ca 0.32 0.36 0.27 0.00 0.00 0.00 0.00 47.33 48.28 3g61 h GLY 342 CO -0.61 -0.29 0.68 1.46 0.00 0.00 0.00 176.54 177.78 3g61 h GLN 343 N -0.62 0.36 -0.66 4.80 1.08 -1.08 1.73 115.11 120.72 3g61 h GLN 343 Ca -0.05 -0.02 0.09 0.00 -1.45 0.00 0.00 58.65 57.22 3g61 h GLN 343 Cb 0.50 -0.08 -0.07 0.00 -0.05 0.00 0.00 27.48 27.78 3g61 h GLN 343 CO 0.05 0.24 0.30 0.00 -0.95 0.00 0.00 178.83 178.46 3g61 h ALA 344 N 1.61 0.88 0.53 3.87 0.00 -0.08 -2.53 119.26 123.54 3g61 h ALA 344 Ca 0.59 0.06 -0.02 0.00 0.00 0.00 0.00 54.91 55.55 3g61 h ALA 344 Cb 1.55 -0.01 -0.02 0.00 0.00 0.00 0.00 17.79 19.31 3g61 h ALA 344 CO -0.28 -0.11 -0.47 1.03 0.00 0.00 0.00 179.25 179.42 3g61 h SER 345 N 0.52 -1.27 -0.60 0.00 0.87 0.37 -0.95 113.55 112.50 3g61 h SER 345 Ca 0.33 0.10 0.08 0.00 -1.23 0.00 0.00 61.79 61.06 3g61 h SER 345 Cb 0.36 0.41 -0.06 0.00 -0.44 0.00 0.00 62.40 62.67 3g61 h SER 345 CO -0.28 -0.65 0.25 -0.65 -0.53 0.00 0.00 176.83 174.97 3g61 h PRO 346 N -0.99 0.44 -0.30 2.24 0.11 -1.25 -0.18 132.00 132.07 3g61 h PRO 346 Ca -0.06 -0.03 0.05 0.00 0.11 0.00 0.00 66.00 66.08 3g61 h PRO 346 Cb 0.85 -0.10 -0.08 0.00 0.11 0.00 0.00 31.00 31.78 3g61 h PRO 346 CO -0.03 0.29 -0.47 -0.91 -0.21 0.00 0.00 178.00 176.67 3g61 h ASN 347 N 0.46 -1.53 -0.71 -2.05 -0.26 -1.13 -0.73 115.58 109.64 3g61 h ASN 347 Ca 0.29 0.21 0.07 0.00 -0.56 0.00 0.00 56.30 56.31 3g61 h ASN 347 Cb 0.31 0.64 -0.10 0.00 -1.06 0.00 0.00 38.32 38.12 3g61 h ASN 347 CO -0.26 -0.41 -0.53 0.40 -1.06 0.00 0.00 177.43 175.57 3g61 h ILE 348 N -0.42 0.00 -0.79 2.81 1.08 -0.23 0.37 117.51 120.33 3g61 h ILE 348 Ca 0.10 0.00 0.10 0.00 -0.39 0.00 0.00 64.86 64.67 3g61 h ILE 348 Cb 0.61 0.00 -0.11 0.00 -3.07 0.00 0.00 36.82 34.25 3g61 h ILE 348 CO -0.52 0.00 -0.39 1.21 -0.69 0.00 0.00 178.15 177.76 3g61 n GLU 349 N -5.10 -0.26 -0.29 2.37 2.13 -0.17 0.22 120.64 119.53 3g61 n GLU 349 Ca -0.00 1.21 0.06 0.00 0.66 0.00 0.00 57.16 59.09 3g61 n GLU 349 Cb 0.27 -1.79 0.21 0.00 0.27 0.00 0.00 31.44 30.39 3g61 n GLU 349 CO 0.00 0.00 0.00 0.00 -0.41 0.00 0.00 177.13 176.72 3g61 h ALA 350 N 0.76 1.23 0.08 4.31 0.00 0.69 0.63 119.26 126.97 3g61 h ALA 350 Ca 0.20 0.08 0.01 0.00 0.00 0.00 0.00 54.91 55.20 3g61 h ALA 350 Cb 0.40 -0.03 -0.01 0.00 0.00 0.00 0.00 17.79 18.15 3g61 h ALA 350 CO -0.77 -0.06 -0.11 0.35 0.00 0.00 0.00 179.25 178.67 3g61 h PHE 351 N 0.64 -0.27 0.00 0.00 3.04 0.36 -1.75 116.94 118.96 3g61 h PHE 351 Ca 0.44 0.00 0.00 0.00 3.98 0.00 0.00 57.97 62.40 3g61 h PHE 351 Cb 0.58 0.11 0.00 0.00 2.56 0.00 0.00 35.95 39.20 3g61 h PHE 351 CO -0.09 -0.16 0.00 0.00 -2.02 0.00 0.00 178.31 176.04 3g61 n ALA 352 N -2.31 -0.13 -0.11 2.41 0.00 0.50 0.72 120.51 121.60 3g61 n ALA 352 Ca -0.07 0.00 -0.04 0.00 0.00 0.00 0.00 53.44 53.33 3g61 n ALA 352 Cb 0.15 0.26 -0.03 0.00 0.00 0.00 0.00 19.45 19.82 3g61 n ALA 352 CO 0.00 0.00 0.00 -0.91 0.00 0.00 0.00 177.50 176.59 3g61 h ASN 353 N 0.00 -0.67 -0.83 0.00 4.21 -1.29 1.09 115.58 118.09 3g61 h ASN 353 Ca 0.00 0.10 0.08 0.00 1.21 0.00 0.00 56.30 57.69 3g61 h ASN 353 Cb 0.00 0.29 -0.11 0.00 -1.12 0.00 0.00 38.32 37.38 3g61 h ASN 353 CO 0.00 -0.09 -0.58 0.00 -1.29 0.00 0.00 177.43 175.48 3g61 h ALA 354 N -0.63 -0.60 -2.04 -0.83 0.00 -1.25 -0.98 119.26 112.93 3g61 h ALA 354 Ca 0.04 0.09 0.00 0.00 0.00 0.00 0.00 54.91 55.04 3g61 h ALA 354 Cb 0.15 1.30 0.00 0.00 0.00 0.00 0.00 17.79 19.23 3g61 h ALA 354 CO -0.27 -0.98 0.00 -2.13 0.00 0.00 0.00 179.25 175.87 3g61 n ARG 355 N -5.29 0.00 0.00 0.00 0.63 0.22 -0.59 116.66 111.63 3g61 n ARG 355 Ca 0.01 0.54 0.00 0.00 -0.92 0.00 0.00 57.85 57.47 3g61 n ARG 355 Cb 0.29 -1.16 0.00 0.00 0.45 0.00 0.00 32.46 32.04 3g61 n ARG 355 CO 0.00 0.00 0.00 0.41 -2.51 0.00 0.00 177.63 175.53 3g61 n GLY 356 N -0.92 0.00 0.34 5.14 0.00 0.35 0.12 105.19 110.22 3g61 n GLY 356 Ca 0.00 0.00 0.30 0.00 0.00 0.00 0.00 46.02 46.32 3g61 n GLY 356 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3g61 n ALA 357 N -2.32 1.00 0.20 4.61 0.00 -0.67 -0.09 120.51 123.24 3g61 n ALA 357 Ca 0.00 0.67 -0.13 0.00 0.00 0.00 0.00 53.44 53.98 3g61 n ALA 357 Cb 0.00 -0.80 -0.07 0.00 0.00 0.00 0.00 19.45 18.58 3g61 n ALA 357 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 3g61 h ALA 358 N 1.24 -0.55 -0.43 0.00 0.00 0.20 -1.82 119.26 117.90 3g61 h ALA 358 Ca 0.66 -0.19 -0.01 0.00 0.00 0.00 0.00 54.91 55.37 3g61 h ALA 358 Cb 2.09 0.21 -0.02 0.00 0.00 0.00 0.00 17.79 20.07 3g61 h ALA 358 CO -0.38 -0.62 0.21 0.10 0.00 0.00 0.00 179.25 178.56 3g61 h TYR 359 N -0.92 0.61 -0.62 0.00 -0.00 0.45 1.15 116.97 117.65 3g61 h TYR 359 Ca -0.06 -0.03 -0.02 0.00 -0.00 0.00 0.00 58.73 58.63 3g61 h TYR 359 Cb 0.56 -0.19 -0.03 0.00 -0.00 0.00 0.00 36.73 37.07 3g61 h TYR 359 CO 0.02 0.50 0.31 0.93 -0.00 0.00 0.00 178.16 179.91 3g61 h GLU 360 N 0.55 0.88 0.00 0.10 5.08 -1.42 0.93 114.58 120.71 3g61 h GLU 360 Ca 0.15 -0.12 0.00 0.00 -1.00 0.00 0.00 59.36 58.38 3g61 h GLU 360 Cb 0.11 -0.16 0.00 0.00 0.50 0.00 0.00 28.75 29.19 3g61 h GLU 360 CO -0.02 0.70 -0.28 1.33 -1.00 0.00 0.00 179.01 179.74 3g61 n VAL 361 N -4.52 0.28 0.13 3.13 0.24 -0.68 -2.28 118.33 114.62 3g61 n VAL 361 Ca 0.04 -0.17 -0.00 0.00 -2.04 0.00 0.00 64.34 62.17 3g61 n VAL 361 Cb 0.12 -0.28 0.08 0.00 -1.47 0.00 0.00 33.84 32.29 3g61 n VAL 361 CO 0.00 0.00 0.00 0.15 -2.14 0.00 0.00 176.83 174.84 3g61 h PHE 362 N 0.00 0.00 -0.39 6.34 3.04 0.32 -1.43 116.94 124.81 3g61 h PHE 362 Ca 0.00 0.00 -0.16 0.00 3.98 0.00 0.00 57.97 61.79 3g61 h PHE 362 Cb 0.64 0.00 -0.01 0.00 2.56 0.00 0.00 35.95 39.15 3g61 h PHE 362 CO 0.00 0.64 -0.36 0.87 -2.02 0.00 0.00 178.31 177.44 3g61 h LYS 363 N 0.00 0.94 0.00 1.11 1.57 0.13 0.36 116.57 120.68 3g61 h LYS 363 Ca -0.01 -0.49 0.00 0.00 -1.87 0.00 0.00 60.65 58.29 3g61 h LYS 363 Cb 1.34 0.01 0.00 0.00 0.08 0.00 0.00 32.23 33.67 3g61 h LYS 363 CO 0.08 1.14 0.00 -0.89 -0.57 0.00 0.00 179.45 179.22 3g61 n ILE 364 N -4.07 0.37 0.00 1.86 2.08 -0.97 -2.63 119.36 115.99 3g61 n ILE 364 Ca -0.02 0.09 0.00 0.00 0.56 0.00 0.00 62.75 63.38 3g61 n ILE 364 Cb 0.53 -0.77 0.00 0.00 -0.75 0.00 0.00 39.64 38.66 3g61 n ILE 364 CO 0.00 0.00 0.00 -0.38 0.56 0.00 0.00 176.55 176.73 3g61 n ILE 365 N -1.26 0.00 -0.28 1.39 5.41 -0.19 -4.68 119.36 119.75 3g61 n ILE 365 Ca 0.10 0.00 0.13 0.00 1.00 0.00 0.00 62.75 63.98 3g61 n ILE 365 Cb 0.15 -0.49 0.25 0.00 -0.71 0.00 0.00 39.64 38.84 3g61 n ILE 365 CO 0.00 0.00 0.00 0.47 0.00 0.00 0.00 176.55 177.02 3g61 n ASP 366 N -0.12 -0.07 -3.32 4.38 9.92 0.11 -4.54 116.55 122.90 3g61 n ASP 366 Ca 0.00 1.37 -0.36 0.00 -0.53 0.00 0.00 54.79 55.27 3g61 n ASP 366 Cb 0.00 -0.51 -0.02 0.00 -0.64 0.00 0.00 41.12 39.95 3g61 n ASP 366 CO 0.00 0.00 0.00 -0.46 0.13 0.00 0.00 177.20 176.87 3g61 n ASN 367 N -5.13 -0.99 -2.67 -2.24 6.94 -1.08 -4.90 115.26 105.20 3g61 n ASN 367 Ca 0.20 0.84 -0.25 0.00 -0.02 0.00 0.00 54.58 55.35 3g61 n ASN 367 Cb 0.64 -0.71 -0.01 0.00 -2.36 0.00 0.00 39.78 37.34 3g61 n ASN 367 CO 0.00 0.00 0.00 0.29 -1.03 0.00 0.00 177.26 176.52 3g61 n LYS 368 N 0.76 3.05 0.00 -3.83 4.76 -1.26 -4.96 118.16 116.68 3g61 n LYS 368 Ca 0.13 -4.45 0.00 0.00 -2.87 0.00 0.00 58.31 51.12 3g61 n LYS 368 Cb 0.19 -2.13 0.00 0.00 -1.84 0.00 0.00 35.03 31.25 3g61 n LYS 368 CO 0.00 0.00 0.00 -2.30 -1.37 0.00 0.00 177.40 173.73 3g61 n PRO 369 N -0.33 0.00 0.00 1.97 -0.02 -1.26 -4.78 135.00 130.58 3g61 n PRO 369 Ca 0.33 0.38 0.00 0.00 -2.02 0.00 0.00 63.50 62.19 3g61 n PRO 369 Cb 0.59 -1.01 0.00 0.00 -0.02 0.00 0.00 33.50 33.07 3g61 n PRO 369 CO 0.00 0.00 0.00 0.45 1.98 0.00 0.00 175.50 177.93 3g61 n SER 370 N -0.90 -0.66 0.00 2.55 2.88 -1.26 -4.80 113.62 111.44 3g61 n SER 370 Ca 0.00 0.00 0.00 0.00 -1.33 0.00 0.00 58.87 57.54 3g61 n SER 370 Cb 0.00 0.00 0.00 0.00 -0.75 0.00 0.00 64.21 63.46 3g61 n SER 370 CO 0.00 0.00 0.00 -0.38 -1.23 0.00 0.00 175.04 173.43 3g61 n ILE 371 N 0.00 0.00 0.96 2.46 2.08 -1.26 -4.71 119.36 118.89 3g61 n ILE 371 Ca 0.00 0.00 0.07 0.00 0.56 0.00 0.00 62.75 63.38 3g61 n ILE 371 Cb 0.00 0.00 0.21 0.00 -0.75 0.00 0.00 39.64 39.10 3g61 n ILE 371 CO 0.00 0.00 0.00 -0.90 0.56 0.00 0.00 176.55 176.21 3g61 n ASP 372 N 0.54 1.83 0.00 4.38 3.85 -1.26 -4.91 116.55 120.99 3g61 n ASP 372 Ca 0.00 -1.93 0.00 0.00 -0.71 0.00 0.00 54.79 52.15 3g61 n ASP 372 Cb 0.00 -0.21 0.00 0.00 -1.35 0.00 0.00 41.12 39.56 3g61 n ASP 372 CO 0.00 0.00 0.00 -1.54 -1.01 0.00 0.00 177.20 174.65 3g61 n SER 373 N 0.48 0.14 0.00 -1.12 3.41 -1.26 -4.78 113.62 110.50 3g61 n SER 373 Ca 0.13 0.00 0.00 0.00 -0.26 0.00 0.00 58.87 58.74 3g61 n SER 373 Cb 0.30 0.00 0.00 0.00 -0.26 0.00 0.00 64.21 64.25 3g61 n SER 373 CO 0.00 0.00 0.00 0.33 -0.16 0.00 0.00 175.04 175.21 3g61 n PHE 374 N 0.00 0.00 -2.11 7.33 7.35 -1.26 -4.99 117.46 123.77 3g61 n PHE 374 Ca 0.00 0.00 -0.03 0.00 -0.76 0.00 0.00 57.45 56.66 3g61 n PHE 374 Cb 0.00 0.00 0.02 0.00 0.35 0.00 0.00 39.48 39.85 3g61 n PHE 374 CO 0.00 0.00 0.00 0.45 -0.76 0.00 0.00 176.76 176.45 3g61 n SER 375 N 0.00 -2.38 -3.20 -2.13 2.88 -1.26 -5.01 113.62 102.52 3g61 n SER 375 Ca 0.00 -0.13 0.04 0.00 -1.33 0.00 0.00 58.87 57.45 3g61 n SER 375 Cb 0.00 -1.44 -0.02 0.00 -0.75 0.00 0.00 64.21 62.00 3g61 n SER 375 CO 0.00 0.00 0.00 -0.75 -1.23 0.00 0.00 175.04 173.06 3g61 s LYS 376 N -3.87 0.37 5.01 -1.46 2.36 -1.26 -5.05 119.74 115.83 3g61 s LYS 376 Ca 0.04 0.69 0.00 0.00 -2.55 0.00 0.00 55.97 54.14 3g61 s LYS 376 Cb -0.00 0.39 0.00 0.00 -1.05 0.00 0.00 37.83 37.16 3g61 s LYS 376 CO 0.15 -0.36 0.00 0.43 1.55 0.00 0.00 175.35 177.12 3g61 n SER 377 N 5.40 0.00 0.00 1.43 7.64 -1.26 -4.98 113.62 121.85 3g61 n SER 377 Ca -0.05 0.00 0.00 0.00 1.01 0.00 0.00 58.87 59.83 3g61 n SER 377 Cb 0.52 0.00 0.00 0.00 -1.01 0.00 0.00 64.21 63.72 3g61 n SER 377 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 3g61 n GLY 378 N 0.00 0.19 3.30 0.23 0.00 -1.26 -4.41 105.19 103.25 3g61 n GLY 378 Ca 0.00 -1.99 -0.37 0.00 0.00 0.00 0.00 46.02 43.65 3g61 n GLY 378 CO 0.00 0.00 0.00 -1.58 0.00 0.00 0.00 173.32 171.74 3g61 s HIS 379 N 0.00 3.19 -0.46 1.61 2.46 -1.17 -4.78 115.29 116.14 3g61 s HIS 379 Ca 0.00 -1.22 -0.27 0.00 0.47 0.00 0.00 55.06 54.04 3g61 s HIS 379 Cb 0.00 -2.25 0.03 0.00 -0.13 0.00 0.00 32.58 30.23 3g61 s HIS 379 CO 0.00 -0.66 1.02 0.15 -2.47 0.00 0.00 174.74 172.78 3g61 s LYS 380 N 1.44 3.65 -0.61 2.88 -0.14 -1.26 0.78 119.74 126.47 3g61 s LYS 380 Ca 0.00 0.38 -0.17 0.00 -1.36 0.00 0.00 55.97 54.83 3g61 s LYS 380 Cb -0.18 -3.91 0.13 0.00 -1.68 0.00 0.00 37.83 32.19 3g61 s LYS 380 CO 0.02 -1.27 0.64 -1.25 -0.76 0.00 0.00 175.35 172.73 3g61 s PRO 381 N 4.04 3.11 -0.10 -1.68 0.04 -1.26 -4.88 135.00 134.27 3g61 s PRO 381 Ca 0.42 -1.66 0.18 0.00 0.04 0.00 0.00 61.00 59.98 3g61 s PRO 381 Cb -0.09 -4.33 0.70 0.00 0.04 0.00 0.00 34.50 30.82 3g61 s PRO 381 CO 0.28 -1.42 1.60 -0.25 0.04 0.00 0.00 177.00 177.25 3g61 n ASP 382 N 5.55 4.58 0.15 6.66 10.43 -1.26 -4.24 116.55 138.42 3g61 n ASP 382 Ca -0.07 -2.38 0.13 0.00 2.57 0.00 0.00 54.79 55.04 3g61 n ASP 382 Cb 0.42 -0.56 0.42 0.00 1.84 0.00 0.00 41.12 43.24 3g61 n ASP 382 CO 0.00 0.00 0.00 -0.55 -1.07 0.00 0.00 177.20 175.58 3g61 h ASN 383 N 4.05 0.00 0.00 -2.24 7.08 -2.05 -3.48 115.58 118.94 3g61 h ASN 383 Ca 0.00 0.00 0.00 0.00 -3.08 0.00 0.00 56.30 53.22 3g61 h ASN 383 Cb 1.37 0.00 0.00 0.00 -2.08 0.00 0.00 38.32 37.61 3g61 h ASN 383 CO 0.20 0.00 0.00 -0.38 -2.08 0.00 0.00 177.43 175.17 3g61 n ILE 384 N -2.51 0.00 0.00 6.14 5.41 -1.26 -4.94 119.36 122.20 3g61 n ILE 384 Ca 0.04 0.00 0.00 0.00 1.00 0.00 0.00 62.75 63.79 3g61 n ILE 384 Cb 0.38 0.00 0.00 0.00 -0.71 0.00 0.00 39.64 39.31 3g61 n ILE 384 CO 0.00 0.00 0.00 1.67 0.00 0.00 0.00 176.55 178.22 3g61 n GLN 385 N 0.00 0.00 0.00 0.38 -0.06 -1.26 -5.00 117.38 111.44 3g61 n GLN 385 Ca 0.00 0.00 0.00 0.00 -2.00 0.00 0.00 57.00 55.00 3g61 n GLN 385 Cb 0.00 0.00 0.00 0.00 -4.06 0.00 0.00 30.24 26.18 3g61 n GLN 385 CO 0.00 0.00 0.00 0.41 -0.20 0.00 0.00 177.06 177.27 3g61 n GLY 386 N 0.00 -0.72 3.39 1.69 0.00 -1.26 -4.84 105.19 103.45 3g61 n GLY 386 Ca 0.00 -0.98 -0.29 0.00 0.00 0.00 0.00 46.02 44.74 3g61 n GLY 386 CO 0.00 0.00 0.00 -1.31 0.00 0.00 0.00 173.32 172.01 3g61 s ASN 387 N 0.00 3.34 0.26 1.61 -0.87 -1.24 -4.44 114.94 113.61 3g61 s ASN 387 Ca 0.00 -0.68 -0.29 0.00 -1.57 0.00 0.00 52.86 50.32 3g61 s ASN 387 Cb 0.00 -0.28 -0.09 0.00 -0.02 0.00 0.00 41.25 40.86 3g61 s ASN 387 CO 0.00 0.21 0.96 -0.76 -2.57 0.00 0.00 177.10 174.93 3g61 s LEU 388 N -1.80 4.58 -0.15 0.60 1.02 -0.61 0.20 118.68 122.51 3g61 s LEU 388 Ca 0.14 1.96 -0.03 0.00 0.02 0.00 0.00 54.13 56.22 3g61 s LEU 388 Cb -0.10 -3.70 0.05 0.00 0.02 0.00 0.00 46.19 42.46 3g61 s LEU 388 CO 0.05 0.08 0.04 -1.61 0.02 0.00 0.00 176.35 174.92 3g61 s GLU 389 N -1.39 0.52 -0.46 1.70 0.41 0.32 -1.23 118.70 118.58 3g61 s GLU 389 Ca 0.43 -0.19 -0.07 0.00 -0.41 0.00 0.00 54.97 54.73 3g61 s GLU 389 Cb -0.25 -1.70 0.12 0.00 -1.78 0.00 0.00 34.13 30.52 3g61 s GLU 389 CO 0.31 -0.54 0.31 -0.06 -0.49 0.00 0.00 175.26 174.79 3g61 s PHE 390 N 1.94 3.48 -0.36 1.61 2.99 0.21 0.98 117.98 128.84 3g61 s PHE 390 Ca 0.01 -2.08 -0.09 0.00 0.00 0.00 0.00 56.93 54.78 3g61 s PHE 390 Cb -0.15 -3.41 0.04 0.00 0.00 0.00 0.00 43.02 39.50 3g61 s PHE 390 CO -0.07 -0.98 0.17 0.15 -0.00 0.00 0.00 175.22 174.48 3g61 s LYS 391 N 1.24 2.70 -1.00 0.44 1.02 -0.54 -0.87 119.74 122.72 3g61 s LYS 391 Ca 0.07 -1.17 -0.16 0.00 0.02 0.00 0.00 55.97 54.73 3g61 s LYS 391 Cb -0.25 -3.61 0.02 0.00 -0.52 0.00 0.00 37.83 33.47 3g61 s LYS 391 CO -0.02 -0.72 0.65 -1.71 -0.92 0.00 0.00 175.35 172.64 3g61 n ASN 392 N 4.90 -4.71 -4.52 2.83 5.15 -0.63 -1.71 115.26 116.58 3g61 n ASN 392 Ca -0.12 -1.08 -0.41 0.00 -0.60 0.00 0.00 54.58 52.38 3g61 n ASN 392 Cb 0.45 -1.92 -0.10 0.00 -0.53 0.00 0.00 39.78 37.68 3g61 n ASN 392 CO 0.00 0.00 0.00 0.27 1.40 0.00 0.00 177.26 178.93 3g61 s ILE 393 N -3.24 5.27 -0.14 -1.44 -4.36 -0.57 -3.14 121.20 113.58 3g61 s ILE 393 Ca 0.24 -0.28 -0.10 0.00 -0.26 0.00 0.00 60.65 60.25 3g61 s ILE 393 Cb -0.12 -3.77 -0.05 0.00 1.25 0.00 0.00 42.46 39.77 3g61 s ILE 393 CO 0.92 -0.08 0.19 -1.00 0.24 0.00 0.00 174.94 175.20 3g61 s HIS 394 N 1.75 3.54 -0.12 1.37 3.76 -0.50 -1.42 115.29 123.67 3g61 s HIS 394 Ca 0.07 0.53 -0.18 0.00 -0.15 0.00 0.00 55.06 55.32 3g61 s HIS 394 Cb -0.18 -2.10 0.04 0.00 1.11 0.00 0.00 32.58 31.46 3g61 s HIS 394 CO 0.11 0.52 0.47 0.12 -0.85 0.00 0.00 174.74 175.10 3g61 s PHE 395 N -0.40 -0.46 0.00 1.40 5.36 -0.56 -1.27 117.98 122.05 3g61 s PHE 395 Ca 0.14 1.03 0.05 0.00 -0.96 0.00 0.00 56.93 57.19 3g61 s PHE 395 Cb -0.12 0.19 -0.02 0.00 -0.34 0.00 0.00 43.02 42.73 3g61 s PHE 395 CO 0.03 -0.33 -0.16 0.45 -1.46 0.00 0.00 175.22 173.75 3g61 s SER 396 N -0.30 1.90 1.09 6.13 0.15 -1.26 -0.34 113.70 121.07 3g61 s SER 396 Ca -0.05 -0.34 -0.13 0.00 0.70 0.00 0.00 55.95 56.13 3g61 s SER 396 Cb -0.03 -0.19 0.21 0.00 -1.71 0.00 0.00 66.02 64.29 3g61 s SER 396 CO 0.03 0.17 0.83 -1.22 1.20 0.00 0.00 173.24 174.25 3g61 n TYR 397 N 2.47 -0.81 0.12 3.44 0.53 -1.26 -4.86 117.16 116.79 3g61 n TYR 397 Ca -0.15 0.05 0.17 0.00 -1.02 0.00 0.00 57.90 56.95 3g61 n TYR 397 Cb 0.54 -1.76 0.72 0.00 -1.03 0.00 0.00 39.34 37.82 3g61 n TYR 397 CO 0.00 0.00 0.00 -1.00 -1.02 0.00 0.00 176.86 174.84 3g61 h PRO 398 N -2.32 0.00 -4.70 -0.72 0.13 -1.98 -3.31 132.00 119.09 3g61 h PRO 398 Ca -0.55 0.00 -0.60 0.00 -0.87 0.00 0.00 66.00 63.98 3g61 h PRO 398 Cb 1.32 0.00 0.08 0.00 0.13 0.00 0.00 31.00 32.52 3g61 h PRO 398 CO 0.44 0.00 1.90 0.43 -0.23 0.00 0.00 178.00 180.54 3g61 n SER 399 N -4.22 2.05 0.00 1.44 7.64 -1.26 -4.83 113.62 114.44 3g61 n SER 399 Ca 0.05 -2.62 0.00 0.00 1.01 0.00 0.00 58.87 57.31 3g61 n SER 399 Cb 0.42 -0.97 0.00 0.00 -1.01 0.00 0.00 64.21 62.65 3g61 n SER 399 CO 0.00 0.00 0.00 -1.14 -3.01 0.00 0.00 175.04 170.89 3g61 n ARG 400 N 7.40 0.00 -0.25 1.43 3.00 -1.25 -0.62 116.66 126.37 3g61 n ARG 400 Ca 0.48 0.00 0.12 0.00 -0.00 0.00 0.00 57.85 58.45 3g61 n ARG 400 Cb 0.41 0.00 0.38 0.00 0.00 0.00 0.00 32.46 33.26 3g61 n ARG 400 CO 0.00 0.00 0.00 1.57 0.00 0.00 0.00 177.63 179.20 3g61 h LYS 401 N 0.00 0.66 -5.01 -0.14 -0.00 -1.89 -3.45 116.57 106.73 3g61 h LYS 401 Ca 0.00 -0.04 -0.52 0.00 -0.00 0.00 0.00 60.65 60.09 3g61 h LYS 401 Cb 0.00 -0.15 0.13 0.00 -0.00 0.00 0.00 32.23 32.22 3g61 h LYS 401 CO 0.00 0.44 -0.82 0.39 -0.00 0.00 0.00 179.45 179.45 3g61 n GLU 402 N -4.54 0.00 -2.34 0.07 4.71 0.21 -4.82 120.64 113.93 3g61 n GLU 402 Ca 0.16 0.00 -0.42 0.00 -0.01 0.00 0.00 57.16 56.90 3g61 n GLU 402 Cb 0.44 -0.84 -0.03 0.00 -1.01 0.00 0.00 31.44 30.01 3g61 n GLU 402 CO 0.00 0.00 0.00 0.54 0.09 0.00 0.00 177.13 177.76 3g61 s VAL 403 N -1.45 3.73 -0.81 2.62 0.11 -1.26 -4.73 120.40 118.61 3g61 s VAL 403 Ca 0.49 1.28 -0.23 0.00 -2.93 0.00 0.00 61.98 60.59 3g61 s VAL 403 Cb -0.51 -3.82 -0.17 0.00 -1.53 0.00 0.00 36.38 30.35 3g61 s VAL 403 CO 0.53 0.12 2.38 0.00 -3.33 0.00 0.00 175.10 174.80 3g61 n GLN 404 N 3.62 0.49 -0.16 1.54 0.00 -1.26 -4.63 117.38 116.99 3g61 n GLN 404 Ca 0.09 -0.67 0.21 0.00 0.00 0.00 0.00 57.00 56.63 3g61 n GLN 404 Cb 0.45 -3.24 0.61 0.00 0.00 0.00 0.00 30.24 28.05 3g61 n GLN 404 CO 0.00 0.00 0.00 0.82 0.00 0.00 0.00 177.06 177.88 3g61 h ILE 405 N 7.59 0.67 -2.57 -0.39 1.08 -1.03 -2.91 117.51 119.96 3g61 h ILE 405 Ca -0.01 -0.07 -0.80 0.00 -0.39 0.00 0.00 64.86 63.60 3g61 h ILE 405 Cb 1.04 0.45 -0.28 0.00 -3.07 0.00 0.00 36.82 34.95 3g61 h ILE 405 CO 1.11 0.04 0.81 0.18 -0.69 0.00 0.00 178.15 179.60 3g61 n LEU 406 N -4.41 6.71 -4.56 1.44 7.99 -0.60 -4.73 117.00 118.84 3g61 n LEU 406 Ca 0.16 -5.32 -0.16 0.00 -0.01 0.00 0.00 56.01 50.68 3g61 n LEU 406 Cb 0.73 -1.18 -0.11 0.00 -0.11 0.00 0.00 43.42 42.74 3g61 n LEU 406 CO 0.35 1.89 1.13 2.29 -1.51 0.00 0.00 177.39 181.54 3g61 n LYS 407 N 0.62 0.30 -2.76 3.23 2.85 -1.10 -1.49 118.16 119.81 3g61 n LYS 407 Ca 0.36 -1.80 -0.03 0.00 -1.05 0.00 0.00 58.31 55.79 3g61 n LYS 407 Cb 0.30 -3.90 -0.02 0.00 -0.65 0.00 0.00 35.03 30.76 3g61 n LYS 407 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 177.40 177.76 3g61 n GLY 408 N 6.07 -3.85 3.48 2.58 0.00 -1.16 -4.94 105.19 107.38 3g61 n GLY 408 Ca 0.42 1.00 -0.33 0.00 0.00 0.00 0.00 46.02 47.10 3g61 n GLY 408 CO 0.00 0.00 0.00 -2.27 0.00 0.00 0.00 173.32 171.05 3g61 s LEU 409 N -0.94 3.09 -0.21 0.99 1.98 -0.50 -4.72 118.68 118.37 3g61 s LEU 409 Ca -0.13 -0.16 0.01 0.00 -2.89 0.00 0.00 54.13 50.96 3g61 s LEU 409 Cb 0.01 -1.72 0.04 0.00 0.66 0.00 0.00 46.19 45.18 3g61 s LEU 409 CO 0.63 0.20 -0.15 0.20 -1.89 0.00 0.00 176.35 175.34 3g61 s ASN 410 N 0.15 3.55 -0.28 3.68 0.01 -1.26 -1.52 114.94 119.27 3g61 s ASN 410 Ca -0.03 -0.92 -0.19 0.00 -0.71 0.00 0.00 52.86 51.01 3g61 s ASN 410 Cb -0.14 -1.42 0.11 0.00 0.41 0.00 0.00 41.25 40.21 3g61 s ASN 410 CO 0.03 -0.10 0.87 -0.22 -1.51 0.00 0.00 177.10 176.18 3g61 s LEU 411 N 1.27 -0.66 -0.02 0.60 0.20 -0.05 -5.01 118.68 115.01 3g61 s LEU 411 Ca -0.01 1.13 0.00 0.00 0.69 0.00 0.00 54.13 55.95 3g61 s LEU 411 Cb -0.16 2.07 0.02 0.00 -0.43 0.00 0.00 46.19 47.70 3g61 s LEU 411 CO -0.09 -0.18 0.00 -1.59 -0.29 0.00 0.00 176.35 174.20 3g61 s LYS 412 N 1.03 0.21 -0.10 1.98 -2.85 -1.26 0.67 119.74 119.42 3g61 s LYS 412 Ca -0.05 0.07 0.03 0.00 -1.00 0.00 0.00 55.97 55.02 3g61 s LYS 412 Cb -0.05 -0.38 -0.01 0.00 -2.06 0.00 0.00 37.83 35.33 3g61 s LYS 412 CO -0.12 -0.11 -0.18 0.54 0.10 0.00 0.00 175.35 175.57 3g61 s VAL 413 N 0.85 2.60 1.38 1.79 0.11 -0.36 -5.00 120.40 121.78 3g61 s VAL 413 Ca -0.08 -0.84 -0.23 0.00 -2.93 0.00 0.00 61.98 57.90 3g61 s VAL 413 Cb -0.11 -2.04 0.35 0.00 -1.53 0.00 0.00 36.38 33.05 3g61 s VAL 413 CO -0.02 0.55 0.96 0.29 -3.33 0.00 0.00 175.10 173.56 3g61 n LYS 414 N 3.26 -4.23 -3.15 1.54 4.01 -1.26 -1.57 118.16 116.76 3g61 n LYS 414 Ca -0.18 -1.58 -0.24 0.00 -0.51 0.00 0.00 58.31 55.79 3g61 n LYS 414 Cb 0.53 -1.80 -0.00 0.00 -0.51 0.00 0.00 35.03 33.24 3g61 n LYS 414 CO 0.00 0.00 0.00 -1.54 -1.11 0.00 0.00 177.40 174.75 3g61 s SER 415 N -3.65 6.17 0.00 4.39 1.04 -1.26 -4.22 113.70 116.17 3g61 s SER 415 Ca 0.69 0.49 0.00 0.00 0.48 0.00 0.00 55.95 57.61 3g61 s SER 415 Cb -0.10 -1.94 0.00 0.00 0.10 0.00 0.00 66.02 64.08 3g61 s SER 415 CO 0.56 -0.45 0.00 0.61 0.98 0.00 0.00 173.24 174.94 3g61 n GLY 416 N -1.94 0.24 3.89 7.32 0.00 -1.26 -4.89 105.19 108.54 3g61 n GLY 416 Ca -0.02 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.70 3g61 n GLY 416 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 3g61 s GLN 417 N -0.58 3.73 -0.68 1.61 -0.21 -1.26 -4.70 119.66 117.58 3g61 s GLN 417 Ca 0.00 0.24 -0.05 0.00 0.02 0.00 0.00 55.36 55.56 3g61 s GLN 417 Cb 0.00 -2.55 0.18 0.00 1.00 0.00 0.00 33.01 31.63 3g61 s GLN 417 CO 0.00 0.15 0.53 0.95 -2.12 0.00 0.00 175.29 174.80 3g61 s THR 418 N -2.12 4.18 -0.21 -0.19 -4.23 -1.26 -0.33 115.64 111.49 3g61 s THR 418 Ca 0.47 -2.88 -0.12 0.00 -1.18 0.00 0.00 61.69 57.99 3g61 s THR 418 Cb -0.11 -3.68 -0.05 0.00 1.34 0.00 0.00 72.50 70.01 3g61 s THR 418 CO 0.28 -0.92 0.21 0.54 -0.54 0.00 0.00 174.62 174.19 3g61 s VAL 419 N -0.06 5.34 0.43 2.29 0.11 -0.42 0.01 120.40 128.11 3g61 s VAL 419 Ca 0.17 0.32 0.08 0.00 -2.93 0.00 0.00 61.98 59.62 3g61 s VAL 419 Cb -0.18 -3.55 -0.01 0.00 -1.53 0.00 0.00 36.38 31.12 3g61 s VAL 419 CO -0.05 0.37 0.39 0.00 -3.33 0.00 0.00 175.10 172.48 3g61 s ALA 420 N 0.76 4.11 -0.01 1.54 0.00 -0.59 -1.32 121.76 126.25 3g61 s ALA 420 Ca 0.11 -1.84 0.02 0.00 0.00 0.00 0.00 51.96 50.25 3g61 s ALA 420 Cb -0.13 -0.99 -0.00 0.00 0.00 0.00 0.00 23.12 22.00 3g61 s ALA 420 CO 0.03 -0.27 -0.08 -0.51 0.00 0.00 0.00 175.76 174.93 3g61 s LEU 421 N -4.16 1.94 0.04 0.00 1.02 0.17 -1.64 118.68 116.05 3g61 s LEU 421 Ca 0.47 -0.14 0.09 0.00 0.02 0.00 0.00 54.13 54.57 3g61 s LEU 421 Cb -0.03 -0.41 -0.03 0.00 0.02 0.00 0.00 46.19 45.74 3g61 s LEU 421 CO 0.28 0.08 -0.26 0.68 0.02 0.00 0.00 176.35 177.14 3g61 s VAL 422 N -0.07 2.15 0.01 -1.59 -7.23 -0.62 -2.47 120.40 110.58 3g61 s VAL 422 Ca 0.01 -1.36 -0.01 0.00 -1.81 0.00 0.00 61.98 58.81 3g61 s VAL 422 Cb -0.04 -1.83 0.00 0.00 0.56 0.00 0.00 36.38 35.07 3g61 s VAL 422 CO -0.00 0.38 0.05 0.61 -0.31 0.00 0.00 175.10 175.83 3g61 n GLY 423 N 1.82 1.34 0.00 2.32 0.00 -1.10 -1.09 105.19 108.49 3g61 n GLY 423 Ca -0.17 -0.94 0.00 0.00 0.00 0.00 0.00 46.02 44.91 3g61 n GLY 423 CO 0.00 0.00 0.00 -2.01 0.00 0.00 0.00 173.32 171.31 3g61 n ASN 424 N -0.65 0.00 0.26 1.61 5.15 -1.26 -4.86 115.26 115.50 3g61 n ASN 424 Ca -0.00 0.00 0.17 0.00 -0.60 0.00 0.00 54.58 54.15 3g61 n ASN 424 Cb 0.03 0.00 0.92 0.00 -0.53 0.00 0.00 39.78 40.20 3g61 n ASN 424 CO 0.00 0.00 0.00 -1.28 1.40 0.00 0.00 177.26 177.38 3g61 h SER 425 N 0.00 0.00 -1.73 1.20 0.87 -1.91 -3.47 113.55 108.51 3g61 h SER 425 Ca 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 61.79 60.56 3g61 h SER 425 Cb 0.00 0.00 0.00 0.00 -0.44 0.00 0.00 62.40 61.96 3g61 h SER 425 CO 0.00 0.00 0.00 0.61 -0.53 0.00 0.00 176.83 176.91 3g61 n GLY 426 N -1.17 -0.50 1.02 5.77 0.00 -1.26 -4.66 105.19 104.39 3g61 n GLY 426 Ca -0.02 -1.20 0.00 0.00 0.00 0.00 0.00 46.02 44.80 3g61 n GLY 426 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3g61 n GLY 428 N 0.31 3.06 0.00 0.00 0.00 -1.26 -2.43 105.19 104.87 3g61 n GLY 428 Ca 0.00 -0.48 0.00 0.00 0.00 0.00 0.00 46.02 45.54 3g61 n GLY 428 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 3g61 n LYS 429 N 0.00 0.00 -0.01 1.61 4.01 -1.26 0.26 118.16 122.77 3g61 n LYS 429 Ca 0.00 0.48 -0.01 0.00 -0.51 0.00 0.00 58.31 58.27 3g61 n LYS 429 Cb 0.00 -1.28 -0.01 0.00 -0.51 0.00 0.00 35.03 33.23 3g61 n LYS 429 CO 0.00 0.00 0.00 0.77 -1.11 0.00 0.00 177.40 177.06 3g61 h SER 430 N 0.00 -0.13 -0.39 4.39 0.02 -1.99 -0.96 113.55 114.49 3g61 h SER 430 Ca 0.00 0.02 0.06 0.00 -0.84 0.00 0.00 61.79 61.03 3g61 h SER 430 Cb 0.00 0.05 -0.07 0.00 0.14 0.00 0.00 62.40 62.53 3g61 h SER 430 CO 0.00 -0.03 -0.14 0.41 -1.14 0.00 0.00 176.83 175.93 3g61 n THR 431 N -2.93 -0.20 0.31 -2.27 -1.04 -1.16 0.56 114.28 107.57 3g61 n THR 431 Ca -0.00 0.91 -0.12 0.00 -2.04 0.00 0.00 64.05 62.79 3g61 n THR 431 Cb 0.02 -1.21 -0.06 0.00 -1.82 0.00 0.00 70.33 67.26 3g61 n THR 431 CO 0.00 0.00 0.00 0.71 -0.64 0.00 0.00 175.07 175.14 3g61 h THR 432 N 0.00 0.00 -0.76 12.58 1.35 0.11 -1.48 112.91 124.71 3g61 h THR 432 Ca 0.15 -0.15 0.15 0.00 -0.55 0.00 0.00 66.41 66.01 3g61 h THR 432 Cb 0.24 0.00 -0.14 0.00 -1.73 0.00 0.00 68.15 66.52 3g61 h THR 432 CO -0.39 0.00 -0.19 0.52 -0.25 0.00 0.00 175.52 175.21 3g61 n VAL 433 N -4.59 -0.32 0.00 6.82 0.31 0.19 -0.09 118.33 120.66 3g61 n VAL 433 Ca -0.10 1.74 0.00 0.00 -0.01 0.00 0.00 64.34 65.96 3g61 n VAL 433 Cb 0.32 -2.40 0.00 0.00 -0.91 0.00 0.00 33.84 30.85 3g61 n VAL 433 CO 0.00 0.00 0.00 1.67 -1.32 0.00 0.00 176.83 177.18 3g61 n GLN 434 N -5.23 0.00 -0.11 5.55 -0.06 0.12 -1.45 117.38 116.19 3g61 n GLN 434 Ca 0.12 0.34 0.09 0.00 -2.00 0.00 0.00 57.00 55.55 3g61 n GLN 434 Cb 0.38 -1.04 0.17 0.00 -4.06 0.00 0.00 30.24 25.69 3g61 n GLN 434 CO 0.00 0.00 0.00 1.28 -0.20 0.00 0.00 177.06 178.14 3g61 n LEU 435 N -0.94 0.07 0.16 1.69 4.77 0.87 0.25 117.00 123.88 3g61 n LEU 435 Ca 0.00 0.59 0.08 0.00 -0.03 0.00 0.00 56.01 56.65 3g61 n LEU 435 Cb 0.00 -0.26 0.45 0.00 -2.33 0.00 0.00 43.42 41.28 3g61 n LEU 435 CO 0.00 -0.63 0.81 0.80 -1.33 0.00 0.00 177.39 177.04 3g61 n MET 436 N -3.96 0.11 -0.68 3.23 1.56 -0.53 0.22 117.12 117.07 3g61 n MET 436 Ca 0.12 0.60 0.09 0.00 -0.27 0.00 0.00 57.70 58.23 3g61 n MET 436 Cb 0.39 -2.04 0.36 0.00 2.15 0.00 0.00 33.22 34.08 3g61 n MET 436 CO 0.00 0.00 0.00 1.04 -0.73 0.00 0.00 175.97 176.28 3g61 n GLN 437 N -2.14 4.02 -2.37 2.12 6.02 0.71 -4.88 117.38 120.86 3g61 n GLN 437 Ca -0.01 -2.96 -0.10 0.00 -0.01 0.00 0.00 57.00 53.92 3g61 n GLN 437 Cb 0.21 -1.99 -0.01 0.00 1.02 0.00 0.00 30.24 29.47 3g61 n GLN 437 CO 0.00 0.00 0.00 -2.13 -1.01 0.00 0.00 177.06 173.92 3g61 n ARG 438 N 0.88 -2.29 0.00 -1.09 0.00 0.61 -4.86 116.66 109.91 3g61 n ARG 438 Ca 0.26 0.50 0.00 0.00 -0.00 0.00 0.00 57.85 58.61 3g61 n ARG 438 Cb 0.97 -5.05 0.00 0.00 0.00 0.00 0.00 32.46 28.38 3g61 n ARG 438 CO 0.00 0.00 0.00 -0.11 0.00 0.00 0.00 177.63 177.52 3g61 n LEU 439 N -2.68 0.00 0.00 6.15 -0.00 -1.25 -4.75 117.00 114.48 3g61 n LEU 439 Ca -0.12 0.00 -0.02 0.00 -0.00 0.00 0.00 56.01 55.87 3g61 n LEU 439 Cb 0.57 0.00 0.02 0.00 -0.00 0.00 0.00 43.42 44.01 3g61 n LEU 439 CO 0.14 0.00 0.05 -1.22 -0.00 0.00 0.00 177.39 176.36 3g61 n TYR 440 N 0.00 -3.35 -4.24 1.96 4.02 -1.26 -4.89 117.16 109.39 3g61 n TYR 440 Ca 0.00 -0.07 -0.22 0.00 -0.01 0.00 0.00 57.90 57.60 3g61 n TYR 440 Cb 0.00 -0.08 -0.12 0.00 -0.02 0.00 0.00 39.34 39.12 3g61 n TYR 440 CO 0.00 0.00 0.00 0.34 -1.01 0.00 0.00 176.86 176.19 3g61 s ASP 441 N -1.60 2.20 0.47 7.72 2.15 -1.26 -4.83 116.67 121.52 3g61 s ASP 441 Ca 0.05 -0.66 -0.24 0.00 0.43 0.00 0.00 52.55 52.13 3g61 s ASP 441 Cb -0.00 -0.10 -0.08 0.00 -0.30 0.00 0.00 42.92 42.43 3g61 s ASP 441 CO 0.04 0.00 1.35 -0.81 -0.17 0.00 0.00 175.17 175.58 3g61 n PRO 442 N 1.16 1.98 0.14 4.34 -0.04 -1.26 -4.91 135.00 136.41 3g61 n PRO 442 Ca -0.20 0.71 0.12 0.00 -0.04 0.00 0.00 63.50 64.09 3g61 n PRO 442 Cb 0.54 -2.53 0.14 0.00 -0.04 0.00 0.00 33.50 31.61 3g61 n PRO 442 CO 0.00 0.00 0.00 1.25 -0.04 0.00 0.00 175.50 176.71 3g61 h LEU 443 N 1.98 0.00 -7.00 1.53 6.46 -1.54 -3.48 115.31 113.26 3g61 h LEU 443 Ca -0.50 -0.03 0.21 0.00 -0.12 0.00 0.00 57.88 57.44 3g61 h LEU 443 Cb 1.29 0.00 -0.20 0.00 -0.73 0.00 0.00 40.66 41.02 3g61 h LEU 443 CO 0.59 0.02 0.75 -0.62 -0.62 0.00 0.00 178.44 178.56 3g61 s ASP 444 N -5.40 -0.19 0.10 1.25 -1.08 -0.46 -4.91 116.67 105.99 3g61 s ASP 444 Ca 0.05 0.05 0.00 0.00 -0.52 0.00 0.00 52.55 52.13 3g61 s ASP 444 Cb 0.09 0.19 0.00 0.00 -1.46 0.00 0.00 42.92 41.74 3g61 s ASP 444 CO 0.71 -0.29 0.00 0.61 0.52 0.00 0.00 175.17 176.72 3g61 n GLY 445 N 0.04 -2.00 3.37 2.66 0.00 -1.19 -1.41 105.19 106.67 3g61 n GLY 445 Ca -0.02 -1.39 -0.10 0.00 0.00 0.00 0.00 46.02 44.51 3g61 n GLY 445 CO 0.00 0.00 0.00 -3.16 0.00 0.00 0.00 173.32 170.16 3g61 s MET 446 N -0.08 1.15 -0.12 1.61 0.23 -0.69 -4.89 119.30 116.51 3g61 s MET 446 Ca 0.00 -0.86 0.01 0.00 -1.03 0.00 0.00 55.69 53.82 3g61 s MET 446 Cb 0.00 0.46 0.02 0.00 -1.53 0.00 0.00 34.83 33.77 3g61 s MET 446 CO 0.00 -0.45 -0.16 0.54 -2.03 0.00 0.00 175.02 172.92 3g61 s VAL 447 N -3.86 1.60 -0.27 5.16 0.11 -1.26 -1.46 120.40 120.42 3g61 s VAL 447 Ca 0.07 -0.68 -0.06 0.00 -2.93 0.00 0.00 61.98 58.38 3g61 s VAL 447 Cb 0.02 -1.46 -0.00 0.00 -1.53 0.00 0.00 36.38 33.40 3g61 s VAL 447 CO -0.07 0.46 0.05 -0.55 -3.33 0.00 0.00 175.10 171.66 3g61 s SER 448 N 1.12 4.98 0.08 3.54 0.15 0.28 -1.65 113.70 122.18 3g61 s SER 448 Ca -0.03 -0.56 -0.19 0.00 0.70 0.00 0.00 55.95 55.87 3g61 s SER 448 Cb -0.14 -1.86 -0.07 0.00 -1.71 0.00 0.00 66.02 62.24 3g61 s SER 448 CO -0.04 -0.13 0.57 -0.51 1.20 0.00 0.00 173.24 174.33 3g61 s ILE 449 N 1.52 4.74 0.00 6.45 -1.16 -0.11 0.12 121.20 132.75 3g61 s ILE 449 Ca 0.04 1.21 0.00 0.00 -0.51 0.00 0.00 60.65 61.39 3g61 s ILE 449 Cb -0.16 -3.89 0.00 0.00 0.61 0.00 0.00 42.46 39.01 3g61 s ILE 449 CO 0.02 0.54 0.00 -0.67 -2.81 0.00 0.00 174.94 172.02 3g61 n ASP 450 N 1.68 0.00 -0.61 4.50 4.64 0.13 -0.92 116.55 125.97 3g61 n ASP 450 Ca -0.10 0.00 0.07 0.00 -1.38 0.00 0.00 54.79 53.38 3g61 n ASP 450 Cb 0.51 0.00 0.09 0.00 -1.04 0.00 0.00 41.12 40.67 3g61 n ASP 450 CO 0.00 0.00 0.00 0.61 -0.82 0.00 0.00 177.20 176.99 3g61 n GLY 451 N 0.00 0.53 4.03 0.27 0.00 -1.26 -3.63 105.19 105.12 3g61 n GLY 451 Ca 0.00 -0.41 -0.19 0.00 0.00 0.00 0.00 46.02 45.41 3g61 n GLY 451 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 3g61 s GLN 452 N -1.12 2.38 -0.30 1.61 -0.21 -0.10 -5.00 119.66 116.92 3g61 s GLN 452 Ca 0.19 -1.53 -0.19 0.00 0.02 0.00 0.00 55.36 53.85 3g61 s GLN 452 Cb 0.12 -2.65 -0.02 0.00 1.00 0.00 0.00 33.01 31.46 3g61 s GLN 452 CO 0.18 -0.78 0.55 0.34 -2.12 0.00 0.00 175.29 173.46 3g61 s ASP 453 N -4.61 6.42 0.33 5.90 -1.08 -1.26 -0.94 116.67 121.43 3g61 s ASP 453 Ca 0.61 0.36 0.09 0.00 -0.52 0.00 0.00 52.55 53.09 3g61 s ASP 453 Cb -0.07 -2.29 0.97 0.00 -1.46 0.00 0.00 42.92 40.07 3g61 s ASP 453 CO 0.38 -0.39 1.60 -0.29 0.52 0.00 0.00 175.17 176.99 3g61 h ILE 454 N 5.50 0.11 0.00 4.11 2.10 -1.62 1.73 117.51 129.44 3g61 h ILE 454 Ca -0.28 -0.03 0.00 0.00 1.08 0.00 0.00 64.86 65.63 3g61 h ILE 454 Cb 1.13 0.02 0.00 0.00 -1.09 0.00 0.00 36.82 36.88 3g61 h ILE 454 CO 0.75 0.02 0.00 0.54 -1.08 0.00 0.00 178.15 178.38 3g61 n ARG 455 N -5.31 0.03 -0.12 2.19 1.74 -1.26 -2.55 116.66 111.38 3g61 n ARG 455 Ca 0.28 0.35 -0.24 0.00 -0.77 0.00 0.00 57.85 57.47 3g61 n ARG 455 Cb 0.93 -1.50 -0.10 0.00 -1.02 0.00 0.00 32.46 30.77 3g61 n ARG 455 CO 0.00 0.00 0.00 0.25 -1.52 0.00 0.00 177.63 176.36 3g61 n THR 456 N -1.39 1.53 -1.01 0.55 -2.24 0.59 -4.98 114.28 107.33 3g61 n THR 456 Ca 0.01 -0.16 -0.33 0.00 -2.27 0.00 0.00 64.05 61.30 3g61 n THR 456 Cb 0.03 -2.00 0.12 0.00 -2.10 0.00 0.00 70.33 66.39 3g61 n THR 456 CO 0.00 0.00 0.00 2.30 -0.57 0.00 0.00 175.07 176.80 3g61 n ILE 457 N -4.36 1.33 -1.46 2.28 -5.35 -1.06 -3.07 119.36 107.67 3g61 n ILE 457 Ca -0.40 -0.20 -0.36 0.00 -0.27 0.00 0.00 62.75 61.52 3g61 n ILE 457 Cb 0.75 -1.00 0.09 0.00 -1.74 0.00 0.00 39.64 37.74 3g61 n ILE 457 CO 0.00 0.00 0.00 -3.20 -1.76 0.00 0.00 176.55 171.59 3g61 n ASN 458 N -2.64 1.30 0.11 7.28 4.05 0.23 -4.42 115.26 121.18 3g61 n ASN 458 Ca 0.12 0.72 -0.05 0.00 0.45 0.00 0.00 54.58 55.81 3g61 n ASN 458 Cb 0.51 -1.49 -0.03 0.00 1.23 0.00 0.00 39.78 40.00 3g61 n ASN 458 CO 0.00 0.00 0.00 0.58 -3.05 0.00 0.00 177.26 174.79 3g61 h VAL 459 N -0.05 0.00 0.00 3.44 2.07 -1.91 -1.79 116.25 118.00 3g61 h VAL 459 Ca -0.49 -0.48 0.00 0.00 0.82 0.00 0.00 66.70 66.55 3g61 h VAL 459 Cb 1.33 0.00 0.00 0.00 -1.52 0.00 0.00 31.29 31.10 3g61 h VAL 459 CO 0.49 0.00 0.00 -1.14 0.02 0.00 0.00 177.57 176.94 3g61 n ARG 460 N -4.27 0.00 -0.27 1.57 0.63 -1.26 0.11 116.66 113.17 3g61 n ARG 460 Ca -0.04 0.72 0.11 0.00 -0.92 0.00 0.00 57.85 57.72 3g61 n ARG 460 Cb 0.14 -1.44 0.22 0.00 0.45 0.00 0.00 32.46 31.83 3g61 n ARG 460 CO 0.00 0.00 0.00 0.98 -2.51 0.00 0.00 177.63 176.10 3g61 n TYR 461 N -2.36 0.49 0.00 -0.14 4.19 -1.26 0.05 117.16 118.13 3g61 n TYR 461 Ca 0.00 0.94 0.00 0.00 3.31 0.00 0.00 57.90 62.15 3g61 n TYR 461 Cb 0.00 -1.08 0.00 0.00 0.49 0.00 0.00 39.34 38.75 3g61 n TYR 461 CO 0.00 0.00 0.00 -0.11 0.91 0.00 0.00 176.86 177.66 3g61 n LEU 462 N -5.10 0.00 -0.33 2.98 7.94 0.38 -1.04 117.00 121.83 3g61 n LEU 462 Ca 0.18 0.96 0.20 0.00 -1.11 0.00 0.00 56.01 56.24 3g61 n LEU 462 Cb 0.59 -0.46 0.38 0.00 0.53 0.00 0.00 43.42 44.47 3g61 n LEU 462 CO -0.06 -0.46 0.87 0.54 -1.11 0.00 0.00 177.39 177.17 3g61 n ARG 463 N -1.89 -0.07 0.33 1.96 5.12 0.30 -0.02 116.66 122.38 3g61 n ARG 463 Ca 0.00 1.45 -0.17 0.00 -1.93 0.00 0.00 57.85 57.19 3g61 n ARG 463 Cb 0.00 -2.39 -0.09 0.00 -1.16 0.00 0.00 32.46 28.83 3g61 n ARG 463 CO 0.00 0.00 0.00 0.93 -1.93 0.00 0.00 177.63 176.63 3g61 h GLU 464 N 0.00 -0.77 0.00 5.56 5.08 -0.22 -0.60 114.58 123.63 3g61 h GLU 464 Ca 0.68 0.05 0.00 0.00 -1.00 0.00 0.00 59.36 59.09 3g61 h GLU 464 Cb 1.55 0.18 0.00 0.00 0.50 0.00 0.00 28.75 30.97 3g61 h GLU 464 CO -0.88 -0.51 0.06 -0.89 -1.00 0.00 0.00 179.01 175.78 3g61 n ILE 465 N -5.44 1.21 -3.78 3.13 2.08 0.97 -4.05 119.36 113.48 3g61 n ILE 465 Ca -0.13 0.36 -0.36 0.00 0.56 0.00 0.00 62.75 63.18 3g61 n ILE 465 Cb 0.33 -1.36 -0.12 0.00 -0.75 0.00 0.00 39.64 37.75 3g61 n ILE 465 CO 0.00 0.00 0.00 -0.63 0.56 0.00 0.00 176.55 176.48 3g61 s ILE 466 N -2.56 3.30 -0.19 1.39 1.09 -0.23 -2.52 121.20 121.48 3g61 s ILE 466 Ca 0.00 -1.99 -0.21 0.00 -1.10 0.00 0.00 60.65 57.35 3g61 s ILE 466 Cb 0.00 -3.23 -0.03 0.00 -1.06 0.00 0.00 42.46 38.14 3g61 s ILE 466 CO 0.00 -0.65 0.64 -0.83 -0.10 0.00 0.00 174.94 174.00 3g61 s GLY 467 N 1.80 2.10 0.10 6.18 0.00 -0.56 -4.88 107.32 112.05 3g61 s GLY 467 Ca 0.07 -0.22 0.07 0.00 0.00 0.00 0.00 44.72 44.63 3g61 s GLY 467 CO -0.04 1.31 -0.17 0.14 0.00 0.00 0.00 173.10 174.34 3g61 s VAL 468 N 1.81 1.43 -0.33 1.40 1.01 -1.26 -1.81 120.40 122.66 3g61 s VAL 468 Ca 0.30 -1.51 -0.02 0.00 0.00 0.00 0.00 61.98 60.75 3g61 s VAL 468 Cb -0.16 -1.39 0.12 0.00 0.00 0.00 0.00 36.38 34.94 3g61 s VAL 468 CO 0.11 -0.20 0.16 -0.69 0.00 0.00 0.00 175.10 174.48 3g61 s VAL 469 N -1.43 0.30 0.46 2.92 1.01 -0.51 -4.88 120.40 118.26 3g61 s VAL 469 Ca 0.04 -1.33 -0.08 0.00 0.00 0.00 0.00 61.98 60.62 3g61 s VAL 469 Cb -0.09 -1.24 0.11 0.00 0.00 0.00 0.00 36.38 35.17 3g61 s VAL 469 CO 0.03 -0.81 0.39 -0.24 0.00 0.00 0.00 175.10 174.47 3g61 n SER 470 N 4.66 -1.53 -0.02 3.32 2.88 -1.26 -1.60 113.62 120.06 3g61 n SER 470 Ca 0.02 -0.70 -0.20 0.00 -1.33 0.00 0.00 58.87 56.66 3g61 n SER 470 Cb 0.40 -0.37 -0.13 0.00 -0.75 0.00 0.00 64.21 63.36 3g61 n SER 470 CO 0.00 0.00 0.00 0.06 -1.23 0.00 0.00 175.04 173.87 3g61 h GLN 471 N 0.00 0.15 -6.01 -1.46 -0.00 -1.83 -3.36 115.11 102.60 3g61 h GLN 471 Ca -0.15 -0.26 -0.52 0.00 -0.00 0.00 0.00 58.65 57.71 3g61 h GLN 471 Cb 0.46 0.10 -0.02 0.00 -0.00 0.00 0.00 27.48 28.02 3g61 h GLN 471 CO 0.10 1.13 1.39 -2.00 -0.00 0.00 0.00 178.83 179.44 3g61 s GLU 472 N -2.39 2.80 -1.22 0.06 2.56 -1.26 -4.80 118.70 114.46 3g61 s GLU 472 Ca -0.20 1.15 -0.20 0.00 0.00 0.00 0.00 54.97 55.71 3g61 s GLU 472 Cb 0.02 -4.36 -0.02 0.00 2.00 0.00 0.00 34.13 31.77 3g61 s GLU 472 CO 0.73 -2.49 1.87 -0.35 -0.56 0.00 0.00 175.26 174.45 3g61 n PRO 473 N 8.86 2.32 -2.17 4.30 -0.04 -1.26 -4.92 135.00 142.10 3g61 n PRO 473 Ca 0.25 -2.76 -0.43 0.00 -0.04 0.00 0.00 63.50 60.52 3g61 n PRO 473 Cb 0.50 -3.55 -0.02 0.00 -0.04 0.00 0.00 33.50 30.38 3g61 n PRO 473 CO 0.00 0.00 0.00 0.54 -0.04 0.00 0.00 175.50 176.00 3g61 s VAL 474 N 7.39 3.85 0.31 0.52 0.11 -1.26 -4.67 120.40 126.64 3g61 s VAL 474 Ca 0.60 1.02 0.09 0.00 -2.93 0.00 0.00 61.98 60.77 3g61 s VAL 474 Cb 0.03 -3.67 -0.05 0.00 -1.53 0.00 0.00 36.38 31.17 3g61 s VAL 474 CO 0.10 -0.10 0.04 -0.76 -3.33 0.00 0.00 175.10 171.04 3g61 s LEU 475 N 3.89 3.12 0.57 2.54 1.43 -1.26 -4.97 118.68 123.99 3g61 s LEU 475 Ca 0.66 -0.82 0.09 0.00 -1.03 0.00 0.00 54.13 53.04 3g61 s LEU 475 Cb -0.29 -1.57 0.08 0.00 0.03 0.00 0.00 46.19 44.44 3g61 s LEU 475 CO 0.24 -0.16 0.78 -0.36 0.23 0.00 0.00 176.35 177.08 3g61 s PHE 476 N -2.43 1.57 -1.11 0.29 0.40 -1.26 -4.07 117.98 111.37 3g61 s PHE 476 Ca 0.34 -0.66 -0.04 0.00 -0.60 0.00 0.00 56.93 55.98 3g61 s PHE 476 Cb -0.03 -2.28 0.19 0.00 0.51 0.00 0.00 43.02 41.41 3g61 s PHE 476 CO 0.20 -1.12 2.22 0.00 0.70 0.00 0.00 175.22 177.23 3g61 n ALA 477 N -2.24 6.52 -3.00 5.36 0.00 -1.26 -4.43 120.51 121.45 3g61 n ALA 477 Ca 0.15 -4.15 0.00 0.00 0.00 0.00 0.00 53.44 49.43 3g61 n ALA 477 Cb 0.61 -2.47 0.00 0.00 0.00 0.00 0.00 19.45 17.59 3g61 n ALA 477 CO 0.00 0.00 0.00 2.41 0.00 0.00 0.00 177.50 179.91 3g61 n THR 478 N 0.91 0.00 -1.60 0.00 -1.04 -1.26 -4.87 114.28 106.42 3g61 n THR 478 Ca 0.56 0.00 -0.31 0.00 -2.04 0.00 0.00 64.05 62.26 3g61 n THR 478 Cb 0.28 0.00 0.06 0.00 -1.82 0.00 0.00 70.33 68.85 3g61 n THR 478 CO 0.00 0.00 0.00 0.42 -0.64 0.00 0.00 175.07 174.85 3g61 s THR 479 N -2.66 3.83 0.03 12.58 -4.23 -1.26 -1.57 115.64 122.36 3g61 s THR 479 Ca 0.00 0.60 -0.25 0.00 -1.18 0.00 0.00 61.69 60.85 3g61 s THR 479 Cb 0.00 -3.37 -0.18 0.00 1.34 0.00 0.00 72.50 70.30 3g61 s THR 479 CO 0.00 -0.78 1.44 0.40 -0.54 0.00 0.00 174.62 175.14 3g61 h ILE 480 N -0.77 1.04 -0.77 2.99 1.08 -1.18 -0.71 117.51 119.18 3g61 h ILE 480 Ca -0.45 -0.56 0.28 0.00 -0.39 0.00 0.00 64.86 63.75 3g61 h ILE 480 Cb 1.22 1.40 -0.14 0.00 -3.07 0.00 0.00 36.82 36.23 3g61 h ILE 480 CO 0.58 0.14 0.27 0.00 -0.69 0.00 0.00 178.15 178.45 3g61 n ALA 481 N -2.29 0.65 0.06 1.87 0.00 -0.68 -0.31 120.51 119.81 3g61 n ALA 481 Ca -0.08 0.80 -0.03 0.00 0.00 0.00 0.00 53.44 54.13 3g61 n ALA 481 Cb 0.18 -0.72 -0.01 0.00 0.00 0.00 0.00 19.45 18.90 3g61 n ALA 481 CO 0.00 0.00 0.00 0.93 0.00 0.00 0.00 177.50 178.43 3g61 h GLU 482 N 0.00 -0.16 -0.70 0.00 4.39 -1.47 -1.73 114.58 114.91 3g61 h GLU 482 Ca 0.59 0.01 0.29 0.00 0.34 0.00 0.00 59.36 60.59 3g61 h GLU 482 Cb 1.46 0.04 -0.13 0.00 -0.10 0.00 0.00 28.75 30.02 3g61 h GLU 482 CO -0.64 -0.11 0.36 0.09 -1.16 0.00 0.00 179.01 177.55 3g61 n ASN 483 N -2.80 0.23 -0.07 1.42 3.02 0.58 0.45 115.26 118.09 3g61 n ASN 483 Ca -0.02 1.16 -0.14 0.00 -0.03 0.00 0.00 54.58 55.55 3g61 n ASN 483 Cb 0.07 -0.56 -0.06 0.00 -0.61 0.00 0.00 39.78 38.62 3g61 n ASN 483 CO 0.00 0.00 0.00 0.40 -2.62 0.00 0.00 177.26 175.04 3g61 h ILE 484 N 0.00 1.33 -0.64 2.41 5.03 -1.31 -2.08 117.51 122.25 3g61 h ILE 484 Ca 0.59 -1.56 0.13 0.00 -0.12 0.00 0.00 64.86 63.89 3g61 h ILE 484 Cb 1.54 1.82 -0.12 0.00 -3.03 0.00 0.00 36.82 37.03 3g61 h ILE 484 CO -0.54 0.48 -0.17 -0.09 -0.68 0.00 0.00 178.15 177.15 3g61 h ARG 485 N 0.28 -0.01 -1.00 2.37 9.65 1.07 1.12 114.38 127.85 3g61 h ARG 485 Ca 0.02 0.00 0.16 0.00 -1.10 0.00 0.00 59.98 59.06 3g61 h ARG 485 Cb 0.93 0.00 -0.10 0.00 -1.39 0.00 0.00 29.97 29.42 3g61 h ARG 485 CO 0.08 -0.01 0.62 1.88 2.80 0.00 0.00 179.97 185.34 3g61 h TYR 486 N -0.01 1.08 -0.87 2.20 0.99 -0.45 0.52 116.97 120.42 3g61 h TYR 486 Ca 0.30 0.03 0.16 0.00 2.00 0.00 0.00 58.73 61.23 3g61 h TYR 486 Cb 0.48 -0.33 -0.10 0.00 1.00 0.00 0.00 36.73 37.77 3g61 h TYR 486 CO -0.53 0.32 0.44 0.78 -0.00 0.00 0.00 178.16 179.18 3g61 h GLY 487 N 0.85 1.44 -5.37 3.88 0.00 0.20 -3.40 103.07 100.66 3g61 h GLY 487 Ca 0.54 -0.24 0.10 0.00 0.00 0.00 0.00 47.33 47.72 3g61 h GLY 487 CO -0.32 -0.08 -0.13 -1.60 0.00 0.00 0.00 176.54 174.40 3g61 s ARG 488 N -5.94 0.54 0.00 4.80 3.52 0.18 -4.59 118.95 117.45 3g61 s ARG 488 Ca -0.12 1.23 0.00 0.00 -0.13 0.00 0.00 55.73 56.71 3g61 s ARG 488 Cb 0.23 0.72 0.00 0.00 -1.56 0.00 0.00 34.95 34.34 3g61 s ARG 488 CO 0.78 -0.32 0.00 0.39 -0.81 0.00 0.00 175.30 175.34 3g61 n GLU 489 N 5.40 0.00 -1.63 5.12 4.71 -0.80 -4.49 120.64 128.95 3g61 n GLU 489 Ca -0.08 0.00 -0.42 0.00 -0.01 0.00 0.00 57.16 56.65 3g61 n GLU 489 Cb 0.50 -0.02 0.01 0.00 -1.01 0.00 0.00 31.44 30.92 3g61 n GLU 489 CO 0.00 0.00 0.00 -0.40 0.09 0.00 0.00 177.13 176.82 3g61 n ASP 490 N 0.00 1.62 0.00 1.62 5.68 -1.26 -4.83 116.55 119.38 3g61 n ASP 490 Ca 0.00 1.09 0.00 0.00 -0.50 0.00 0.00 54.79 55.38 3g61 n ASP 490 Cb 0.00 -1.38 0.00 0.00 -1.14 0.00 0.00 41.12 38.60 3g61 n ASP 490 CO 0.00 0.00 0.00 0.55 -1.33 0.00 0.00 177.20 176.42 3g61 n VAL 491 N -0.25 0.00 -3.70 2.12 3.14 -1.26 -5.09 118.33 113.29 3g61 n VAL 491 Ca 0.08 0.00 -0.33 0.00 -2.96 0.00 0.00 64.34 61.13 3g61 n VAL 491 Cb 0.38 0.00 -0.05 0.00 -1.06 0.00 0.00 33.84 33.11 3g61 n VAL 491 CO 0.00 0.00 0.00 -0.89 -6.46 0.00 0.00 176.83 169.48 3g61 s THR 492 N -0.73 5.21 0.57 1.55 2.01 -1.26 -4.92 115.64 118.08 3g61 s THR 492 Ca 0.00 0.13 0.18 0.00 0.31 0.00 0.00 61.69 62.30 3g61 s THR 492 Cb 0.00 -3.61 0.18 0.00 0.01 0.00 0.00 72.50 69.08 3g61 s THR 492 CO 0.00 0.21 1.51 0.00 -0.69 0.00 0.00 174.62 175.65 3g61 h MET 493 N 3.42 0.00 0.43 4.92 -0.00 -2.00 0.23 114.93 121.92 3g61 h MET 493 Ca -0.48 0.00 -0.02 0.00 -0.00 0.00 0.00 59.70 59.20 3g61 h MET 493 Cb 1.18 0.00 0.00 0.00 -0.00 0.00 0.00 31.60 32.78 3g61 h MET 493 CO 0.69 0.00 -0.23 -0.44 -0.00 0.00 0.00 176.91 176.93 3g61 h ASP 494 N 0.00 -0.57 0.24 -0.10 3.32 -1.98 1.11 116.42 118.44 3g61 h ASP 494 Ca 0.00 0.03 0.00 0.00 0.02 0.00 0.00 57.03 57.08 3g61 h ASP 494 Cb 1.10 0.16 -0.04 0.00 0.22 0.00 0.00 39.33 40.76 3g61 h ASP 494 CO 0.00 -0.37 -0.52 -0.33 -1.72 0.00 0.00 179.24 176.29 3g61 h GLU 495 N -0.61 -0.80 -0.99 3.56 3.07 -0.98 -0.87 114.58 116.96 3g61 h GLU 495 Ca -0.06 0.05 0.16 0.00 -0.50 0.00 0.00 59.36 59.02 3g61 h GLU 495 Cb 0.47 0.18 -0.16 0.00 -0.84 0.00 0.00 28.75 28.40 3g61 h GLU 495 CO 0.08 -0.54 -0.36 -0.89 -1.40 0.00 0.00 179.01 175.90 3g61 n ILE 496 N -5.51 -0.51 0.02 3.13 2.08 -0.59 0.14 119.36 118.12 3g61 n ILE 496 Ca -0.10 2.31 -0.10 0.00 0.56 0.00 0.00 62.75 65.42 3g61 n ILE 496 Cb 0.43 -3.07 -0.06 0.00 -0.75 0.00 0.00 39.64 36.18 3g61 n ILE 496 CO 0.00 0.00 0.00 -0.08 0.56 0.00 0.00 176.55 177.03 3g61 h GLU 497 N 0.00 -0.40 -0.73 0.38 4.81 0.22 0.42 114.58 119.28 3g61 h GLU 497 Ca 0.36 0.03 0.13 0.00 -0.13 0.00 0.00 59.36 59.75 3g61 h GLU 497 Cb 0.61 0.09 -0.13 0.00 0.63 0.00 0.00 28.75 29.95 3g61 h GLU 497 CO -0.99 -0.27 -0.30 -0.22 -0.73 0.00 0.00 179.01 176.51 3g61 h LYS 498 N -0.42 -0.08 0.28 1.92 3.11 0.10 0.83 116.57 122.32 3g61 h LYS 498 Ca 0.01 0.01 -0.00 0.00 -2.81 0.00 0.00 60.65 57.86 3g61 h LYS 498 Cb 0.46 0.02 -0.03 0.00 -1.00 0.00 0.00 32.23 31.68 3g61 h LYS 498 CO -0.25 -0.05 -0.44 0.00 -2.81 0.00 0.00 179.45 175.90 3g61 h ALA 499 N 1.33 -1.02 -0.59 5.00 0.00 0.12 0.99 119.26 125.10 3g61 h ALA 499 Ca 0.30 -0.13 0.11 0.00 0.00 0.00 0.00 54.91 55.19 3g61 h ALA 499 Cb 0.57 0.74 -0.03 0.00 0.00 0.00 0.00 17.79 19.06 3g61 h ALA 499 CO -0.78 -1.08 0.40 -0.39 0.00 0.00 0.00 179.25 177.40 3g61 h VAL 500 N -0.75 0.86 0.00 0.00 -1.51 0.62 1.15 116.25 116.62 3g61 h VAL 500 Ca -0.03 -0.11 -0.01 0.00 -1.23 0.00 0.00 66.70 65.31 3g61 h VAL 500 Cb 0.69 0.50 -0.00 0.00 -2.13 0.00 0.00 31.29 30.35 3g61 h VAL 500 CO -0.14 0.06 -0.06 0.50 -1.23 0.00 0.00 177.57 176.70 3g61 h LYS 501 N 0.33 0.00 0.00 5.19 3.64 0.25 0.54 116.57 126.52 3g61 h LYS 501 Ca 0.28 0.00 0.00 0.00 -1.27 0.00 0.00 60.65 59.66 3g61 h LYS 501 Cb 0.64 0.00 0.00 0.00 -0.41 0.00 0.00 32.23 32.46 3g61 h LYS 501 CO -0.07 0.06 -1.57 -1.91 -2.27 0.00 0.00 179.45 173.69 3g61 n GLU 502 N -3.14 0.55 -0.59 1.90 2.13 0.33 -3.33 120.64 118.48 3g61 n GLU 502 Ca 0.02 -0.09 0.07 0.00 0.66 0.00 0.00 57.16 57.82 3g61 n GLU 502 Cb 0.43 -1.60 0.31 0.00 0.27 0.00 0.00 31.44 30.85 3g61 n GLU 502 CO 0.00 0.00 0.00 0.00 -0.41 0.00 0.00 177.13 176.72 3g61 n ALA 503 N -2.13 3.23 -3.39 4.31 0.00 0.35 -4.82 120.51 118.07 3g61 n ALA 503 Ca -0.02 -1.40 -0.24 0.00 0.00 0.00 0.00 53.44 51.79 3g61 n ALA 503 Cb 0.53 -1.05 0.01 0.00 0.00 0.00 0.00 19.45 18.94 3g61 n ALA 503 CO 0.00 0.00 0.00 0.27 0.00 0.00 0.00 177.50 177.77 3g61 n ASN 504 N 0.76 -4.03 0.00 0.00 6.94 -0.31 -4.83 115.26 113.79 3g61 n ASN 504 Ca 0.22 -0.59 0.00 0.00 -0.02 0.00 0.00 54.58 54.19 3g61 n ASN 504 Cb 0.86 -1.28 0.00 0.00 -2.36 0.00 0.00 39.78 36.99 3g61 n ASN 504 CO 0.00 0.00 0.00 0.00 -1.03 0.00 0.00 177.26 176.23 3g61 n ALA 505 N -1.57 0.00 -0.04 -2.53 0.00 0.17 -4.84 120.51 111.70 3g61 n ALA 505 Ca -0.20 0.00 0.24 0.00 0.00 0.00 0.00 53.44 53.47 3g61 n ALA 505 Cb 0.56 0.00 0.61 0.00 0.00 0.00 0.00 19.45 20.62 3g61 n ALA 505 CO 0.00 0.00 0.00 -0.92 0.00 0.00 0.00 177.50 176.58 3g61 h TYR 506 N 0.00 0.00 0.00 0.00 3.20 -1.85 -2.70 116.97 115.63 3g61 h TYR 506 Ca 0.00 0.00 0.00 0.00 3.14 0.00 0.00 58.73 61.87 3g61 h TYR 506 Cb 0.00 0.00 0.00 0.00 1.54 0.00 0.00 36.73 38.27 3g61 h TYR 506 CO 0.00 0.00 0.00 -0.40 -1.64 0.00 0.00 178.16 176.12 3g61 n ASP 507 N -3.46 0.00 -0.52 -2.11 5.68 -1.26 -2.97 116.55 111.91 3g61 n ASP 507 Ca 0.14 0.05 0.43 0.00 -0.50 0.00 0.00 54.79 54.91 3g61 n ASP 507 Cb 1.03 0.00 0.71 0.00 -1.14 0.00 0.00 41.12 41.72 3g61 n ASP 507 CO 0.00 0.00 0.00 2.22 -1.33 0.00 0.00 177.20 178.09 3g61 n PHE 508 N -0.24 0.58 -0.31 2.11 1.16 -1.22 0.29 117.46 119.84 3g61 n PHE 508 Ca 0.00 0.58 -0.05 0.00 -1.87 0.00 0.00 57.45 56.12 3g61 n PHE 508 Cb 0.00 -1.03 0.07 0.00 -1.61 0.00 0.00 39.48 36.91 3g61 n PHE 508 CO 0.00 0.00 0.00 -0.84 -1.87 0.00 0.00 176.76 174.05 3g61 h ILE 509 N 0.00 1.25 0.23 1.97 -0.00 -1.63 0.26 117.51 119.58 3g61 h ILE 509 Ca 0.90 -0.63 -0.01 0.00 -0.00 0.00 0.00 64.86 65.11 3g61 h ILE 509 Cb 3.03 0.15 0.00 0.00 -0.00 0.00 0.00 36.82 40.00 3g61 h ILE 509 CO -0.39 0.28 -0.11 0.24 -0.00 0.00 0.00 178.15 178.17 3g61 h MET 510 N 1.16 -0.30 0.00 0.16 2.86 0.45 -2.36 114.93 116.90 3g61 h MET 510 Ca 0.29 0.02 0.00 0.00 -2.06 0.00 0.00 59.70 57.95 3g61 h MET 510 Cb 0.05 0.07 0.00 0.00 0.06 0.00 0.00 31.60 31.78 3g61 h MET 510 CO -0.04 0.03 0.13 -0.22 1.06 0.00 0.00 176.91 177.86 3g61 h LYS 511 N -0.66 0.00 -6.05 1.72 1.63 -0.95 -3.39 116.57 108.86 3g61 h LYS 511 Ca -0.03 0.00 -0.58 0.00 -0.85 0.00 0.00 60.65 59.19 3g61 h LYS 511 Cb 0.47 0.00 -0.06 0.00 -0.60 0.00 0.00 32.23 32.03 3g61 h LYS 511 CO 0.05 0.00 0.64 -1.17 -3.45 0.00 0.00 179.45 175.52 3g61 s LEU 512 N -5.45 4.14 0.66 5.20 2.96 0.87 -4.99 118.68 122.08 3g61 s LEU 512 Ca -0.04 1.33 -0.17 0.00 -0.22 0.00 0.00 54.13 55.03 3g61 s LEU 512 Cb 0.09 -3.44 -0.08 0.00 0.50 0.00 0.00 46.19 43.26 3g61 s LEU 512 CO 0.29 -0.56 0.28 -0.81 -1.32 0.00 0.00 176.35 174.23 3g61 n PRO 513 N 5.84 0.26 -0.07 0.98 -0.04 -1.26 -2.05 135.00 138.65 3g61 n PRO 513 Ca 0.09 0.11 0.00 0.00 -0.04 0.00 0.00 63.50 63.67 3g61 n PRO 513 Cb 0.47 -1.56 0.00 0.00 -0.04 0.00 0.00 33.50 32.38 3g61 n PRO 513 CO 0.00 0.00 0.00 0.72 -0.04 0.00 0.00 175.50 176.18 3g61 n HIS 514 N -2.05 0.00 -4.92 0.54 8.25 -1.26 -4.66 115.22 111.13 3g61 n HIS 514 Ca 0.09 0.00 0.00 0.00 -0.26 0.00 0.00 57.72 57.55 3g61 n HIS 514 Cb 0.49 -0.50 0.00 0.00 1.12 0.00 0.00 29.99 31.10 3g61 n HIS 514 CO 0.00 0.00 0.00 1.04 0.64 0.00 0.00 176.34 178.02 3g61 n GLN 515 N -2.00 0.00 -0.44 -0.41 1.13 -0.87 -2.79 117.38 112.00 3g61 n GLN 515 Ca 0.00 0.00 0.39 0.00 -1.94 0.00 0.00 57.00 55.45 3g61 n GLN 515 Cb 0.00 0.00 0.74 0.00 0.11 0.00 0.00 30.24 31.09 3g61 n GLN 515 CO 0.00 0.00 0.00 0.74 -1.44 0.00 0.00 177.06 176.36 3g61 h PHE 516 N 0.00 0.11 0.00 1.08 0.04 -1.88 0.88 116.94 117.16 3g61 h PHE 516 Ca 0.00 0.00 0.00 0.00 2.80 0.00 0.00 57.97 60.77 3g61 h PHE 516 Cb 0.00 -0.03 0.00 0.00 2.20 0.00 0.00 35.95 38.12 3g61 h PHE 516 CO 0.00 -0.01 0.00 -0.25 -0.60 0.00 0.00 178.31 177.45 3g61 n ASP 517 N -4.20 1.31 -4.85 2.17 8.00 -1.12 -1.69 116.55 116.18 3g61 n ASP 517 Ca 0.32 -1.77 -0.35 0.00 0.71 0.00 0.00 54.79 53.70 3g61 n ASP 517 Cb 1.44 -0.44 -0.06 0.00 -0.02 0.00 0.00 41.12 42.04 3g61 n ASP 517 CO 0.00 0.00 0.00 -0.89 -0.39 0.00 0.00 177.20 175.92 3g61 s THR 518 N -0.73 4.88 0.52 -3.53 2.01 0.31 -4.89 115.64 114.21 3g61 s THR 518 Ca 0.00 0.79 0.01 0.00 0.31 0.00 0.00 61.69 62.81 3g61 s THR 518 Cb 0.00 -3.73 0.02 0.00 0.01 0.00 0.00 72.50 68.80 3g61 s THR 518 CO 0.00 0.26 0.74 -1.48 -0.69 0.00 0.00 174.62 173.45 3g61 s LEU 519 N -1.92 3.39 -0.82 4.42 -0.00 -1.26 -1.41 118.68 121.08 3g61 s LEU 519 Ca 0.37 0.06 -0.02 0.00 -0.00 0.00 0.00 54.13 54.54 3g61 s LEU 519 Cb -0.15 -2.95 0.20 0.00 -0.00 0.00 0.00 46.19 43.30 3g61 s LEU 519 CO 0.19 -1.00 0.68 -0.69 -0.00 0.00 0.00 176.35 175.53 3g61 s VAL 520 N -2.69 4.12 -0.29 1.48 1.01 -0.61 -4.90 120.40 118.52 3g61 s VAL 520 Ca 0.55 -3.70 -0.05 0.00 0.00 0.00 0.00 61.98 58.78 3g61 s VAL 520 Cb -0.10 -3.59 -0.08 0.00 0.00 0.00 0.00 36.38 32.61 3g61 s VAL 520 CO 0.38 -1.04 0.68 0.61 0.00 0.00 0.00 175.10 175.74 3g61 n GLY 521 N 2.56 -0.14 3.10 4.51 0.00 -1.26 -3.27 105.19 110.69 3g61 n GLY 521 Ca 0.18 0.13 -0.05 0.00 0.00 0.00 0.00 46.02 46.29 3g61 n GLY 521 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 3g61 n GLU 522 N 1.94 -1.32 0.00 1.61 -0.58 -1.26 -4.47 120.64 116.55 3g61 n GLU 522 Ca 0.19 1.39 0.00 0.00 -0.42 0.00 0.00 57.16 58.32 3g61 n GLU 522 Cb 0.03 -2.35 0.00 0.00 -0.57 0.00 0.00 31.44 28.54 3g61 n GLU 522 CO 0.00 0.00 0.00 -2.13 -0.48 0.00 0.00 177.13 174.52 3g61 n ARG 523 N 0.91 0.00 -2.86 3.49 0.00 -1.20 -4.43 116.66 112.56 3g61 n ARG 523 Ca -0.00 0.00 -0.41 0.00 -0.00 0.00 0.00 57.85 57.44 3g61 n ARG 523 Cb 0.40 0.00 0.01 0.00 0.00 0.00 0.00 32.46 32.87 3g61 n ARG 523 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.63 178.04 3g61 n GLY 524 N 0.00 5.60 2.29 5.14 0.00 -1.26 -4.55 105.19 112.41 3g61 n GLY 524 Ca 0.00 -2.64 -0.25 0.00 0.00 0.00 0.00 46.02 43.13 3g61 n GLY 524 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3g61 n ALA 525 N 0.64 2.86 0.00 4.61 0.00 -1.26 -4.84 120.51 122.51 3g61 n ALA 525 Ca 0.35 -3.70 0.00 0.00 0.00 0.00 0.00 53.44 50.09 3g61 n ALA 525 Cb 0.31 -0.83 0.00 0.00 0.00 0.00 0.00 19.45 18.93 3g61 n ALA 525 CO 0.00 0.00 0.00 0.94 0.00 0.00 0.00 177.50 178.44 3g61 n GLN 526 N 1.47 0.00 -3.80 0.00 7.27 -1.26 -4.84 117.38 116.21 3g61 n GLN 526 Ca 0.24 0.00 -0.25 0.00 0.07 0.00 0.00 57.00 57.06 3g61 n GLN 526 Cb 0.49 -0.17 -0.02 0.00 2.41 0.00 0.00 30.24 32.95 3g61 n GLN 526 CO 0.00 0.00 0.00 1.47 0.07 0.00 0.00 177.06 178.60 3g61 n LEU 527 N -0.63 0.00 -4.72 1.69 -0.00 -1.26 -5.07 117.00 107.00 3g61 n LEU 527 Ca 0.00 -2.59 -0.41 0.00 -0.00 0.00 0.00 56.01 53.01 3g61 n LEU 527 Cb 0.00 0.08 -0.04 0.00 -0.00 0.00 0.00 43.42 43.47 3g61 n LEU 527 CO 0.00 -0.49 0.60 -0.94 -0.00 0.00 0.00 177.39 176.56 3g61 s SER 528 N -3.68 7.31 0.33 1.45 1.04 -1.26 -4.91 113.70 113.99 3g61 s SER 528 Ca 0.18 1.58 0.18 0.00 0.48 0.00 0.00 55.95 58.37 3g61 s SER 528 Cb -0.01 -2.53 1.19 0.00 0.10 0.00 0.00 66.02 64.77 3g61 s SER 528 CO 0.11 -0.15 1.42 0.61 0.98 0.00 0.00 173.24 176.21 3g61 n GLY 529 N 2.71 -0.70 0.00 7.32 0.00 -1.26 -0.63 105.19 112.63 3g61 n GLY 529 Ca 0.03 0.74 0.00 0.00 0.00 0.00 0.00 46.02 46.78 3g61 n GLY 529 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3g61 n GLY 530 N -1.24 -2.60 0.34 -0.02 0.00 -1.26 -1.49 105.19 98.92 3g61 n GLY 530 Ca 0.34 0.14 0.02 0.00 0.00 0.00 0.00 46.02 46.51 3g61 n GLY 530 CO 0.00 0.00 0.00 1.46 0.00 0.00 0.00 173.32 174.78 3g61 h GLN 531 N 0.00 -0.02 0.00 1.61 4.20 -1.26 0.24 115.11 119.87 3g61 h GLN 531 Ca 0.00 0.00 0.00 0.00 0.06 0.00 0.00 58.65 58.71 3g61 h GLN 531 Cb 0.00 0.00 0.00 0.00 0.30 0.00 0.00 27.48 27.78 3g61 h GLN 531 CO 0.00 -0.01 0.00 1.63 -0.67 0.00 0.00 178.83 179.78 3g61 n LYS 532 N -5.53 0.00 -0.34 1.46 5.02 -0.58 0.19 118.16 118.37 3g61 n LYS 532 Ca 0.12 0.84 0.07 0.00 -2.02 0.00 0.00 58.31 57.32 3g61 n LYS 532 Cb 0.43 -1.39 0.16 0.00 -0.02 0.00 0.00 35.03 34.21 3g61 n LYS 532 CO 0.00 0.00 0.00 0.94 -0.52 0.00 0.00 177.40 177.82 3g61 n GLN 533 N -2.47 -0.09 -0.07 1.97 -0.06 -0.09 0.65 117.38 117.22 3g61 n GLN 533 Ca 0.00 1.49 -0.10 0.00 -2.00 0.00 0.00 57.00 56.40 3g61 n GLN 533 Cb 0.00 -2.25 -0.07 0.00 -4.06 0.00 0.00 30.24 23.86 3g61 n GLN 533 CO 0.00 0.00 0.00 0.00 -0.20 0.00 0.00 177.06 176.86 3g61 h ARG 534 N 0.00 -0.30 -0.70 3.69 3.08 0.14 -0.01 114.38 120.28 3g61 h ARG 534 Ca 0.48 0.02 0.13 0.00 0.07 0.00 0.00 59.98 60.69 3g61 h ARG 534 Cb 0.79 0.07 -0.13 0.00 0.08 0.00 0.00 29.97 30.78 3g61 h ARG 534 CO -0.98 -0.20 -0.25 0.82 -1.07 0.00 0.00 179.97 178.30 3g61 h ILE 535 N -0.31 0.22 -0.85 2.04 1.08 0.34 0.54 117.51 120.58 3g61 h ILE 535 Ca 0.04 0.00 0.14 0.00 -0.39 0.00 0.00 64.86 64.66 3g61 h ILE 535 Cb 0.43 0.22 -0.15 0.00 -3.07 0.00 0.00 36.82 34.25 3g61 h ILE 535 CO -0.38 0.00 -0.33 0.00 -0.69 0.00 0.00 178.15 176.74 3g61 h ALA 536 N 1.46 0.20 -3.00 1.87 0.00 0.22 0.78 119.26 120.79 3g61 h ALA 536 Ca 0.31 0.26 0.00 0.00 0.00 0.00 0.00 54.91 55.48 3g61 h ALA 536 Cb 0.55 0.86 0.00 0.00 0.00 0.00 0.00 17.79 19.20 3g61 h ALA 536 CO -0.74 -0.58 0.00 -0.89 0.00 0.00 0.00 179.25 177.03 3g61 n ILE 537 N -5.48 0.00 -0.03 0.00 2.08 0.18 0.59 119.36 116.70 3g61 n ILE 537 Ca 0.09 0.89 -0.01 0.00 0.56 0.00 0.00 62.75 64.28 3g61 n ILE 537 Cb 0.40 -1.55 -0.01 0.00 -0.75 0.00 0.00 39.64 37.74 3g61 n ILE 537 CO 0.00 0.00 0.00 0.00 0.56 0.00 0.00 176.55 177.11 3g61 n ALA 538 N -1.32 -0.05 -1.00 -1.39 0.00 0.29 0.19 120.51 117.24 3g61 n ALA 538 Ca 0.00 0.06 0.00 0.00 0.00 0.00 0.00 53.44 53.50 3g61 n ALA 538 Cb 0.00 0.01 0.00 0.00 0.00 0.00 0.00 19.45 19.46 3g61 n ALA 538 CO 0.00 0.00 0.00 -2.13 0.00 0.00 0.00 177.50 175.37 3g61 n ARG 539 N -3.53 0.00 -0.33 0.00 0.63 0.24 0.11 116.66 113.78 3g61 n ARG 539 Ca 0.00 0.40 0.25 0.00 -0.92 0.00 0.00 57.85 57.59 3g61 n ARG 539 Cb 0.02 -0.98 0.48 0.00 0.45 0.00 0.00 32.46 32.43 3g61 n ARG 539 CO 0.00 0.00 0.00 0.00 -2.51 0.00 0.00 177.63 175.12 3g61 h ALA 540 N -2.04 1.83 -0.80 5.13 0.00 0.64 1.31 119.26 125.32 3g61 h ALA 540 Ca 0.00 0.28 0.10 0.00 0.00 0.00 0.00 54.91 55.28 3g61 h ALA 540 Cb 0.00 0.38 -0.07 0.00 0.00 0.00 0.00 17.79 18.09 3g61 h ALA 540 CO 0.00 -0.78 0.45 1.25 0.00 0.00 0.00 179.25 180.17 3g61 h LEU 541 N 0.06 0.63 -1.44 0.00 7.12 0.64 0.72 115.31 123.03 3g61 h LEU 541 Ca 0.75 0.05 0.00 0.00 0.13 0.00 0.00 57.88 58.82 3g61 h LEU 541 Cb 1.84 -0.07 -0.03 0.00 -0.53 0.00 0.00 40.66 41.88 3g61 h LEU 541 CO -0.78 0.35 0.34 0.58 -0.13 0.00 0.00 178.44 178.80 3g61 h VAL 542 N 0.75 1.15 -0.83 1.05 2.07 0.90 0.27 116.25 121.61 3g61 h VAL 542 Ca 0.39 -0.29 0.08 0.00 0.82 0.00 0.00 66.70 67.69 3g61 h VAL 542 Cb 0.38 0.37 -0.06 0.00 -1.52 0.00 0.00 31.29 30.46 3g61 h VAL 542 CO -0.26 0.15 0.54 -0.09 0.02 0.00 0.00 177.57 177.93 3g61 h ARG 543 N 0.74 0.84 -6.82 1.57 9.65 0.11 -3.47 114.38 117.00 3g61 h ARG 543 Ca 0.20 -0.05 -0.57 0.00 -1.10 0.00 0.00 59.98 58.46 3g61 h ARG 543 Cb -0.06 -0.19 -0.16 0.00 -1.39 0.00 0.00 29.97 28.18 3g61 h ARG 543 CO -0.04 0.56 -0.92 0.27 2.80 0.00 0.00 179.97 182.64 3g61 n ASN 544 N -4.50 -0.06 -3.32 -3.80 6.94 0.96 -4.98 115.26 106.50 3g61 n ASN 544 Ca 0.13 -1.14 0.00 0.00 -0.02 0.00 0.00 54.58 53.55 3g61 n ASN 544 Cb 0.25 -2.29 0.00 0.00 -2.36 0.00 0.00 39.78 35.38 3g61 n ASN 544 CO 0.00 0.00 0.00 -0.81 -1.03 0.00 0.00 177.26 175.42 3g61 n PRO 545 N -4.46 -0.04 0.00 -0.53 -0.04 -1.26 -4.98 135.00 123.69 3g61 n PRO 545 Ca -0.26 0.00 0.00 0.00 -0.04 0.00 0.00 63.50 63.20 3g61 n PRO 545 Cb 0.66 0.00 0.00 0.00 -0.04 0.00 0.00 33.50 34.12 3g61 n PRO 545 CO 0.00 0.00 0.00 1.63 -0.04 0.00 0.00 175.50 177.09 3g61 n LYS 546 N -0.73 0.92 -4.97 0.54 4.76 -1.05 -4.94 118.16 112.69 3g61 n LYS 546 Ca 0.00 -0.30 -0.28 0.00 -2.87 0.00 0.00 58.31 54.86 3g61 n LYS 546 Cb 0.00 -0.77 -0.15 0.00 -1.84 0.00 0.00 35.03 32.26 3g61 n LYS 546 CO 0.00 0.00 0.00 0.42 -1.37 0.00 0.00 177.40 176.45 3g61 s ILE 547 N -0.22 1.85 -0.01 -0.18 1.09 -1.13 -2.97 121.20 119.63 3g61 s ILE 547 Ca 0.00 -1.13 -0.01 0.00 -1.10 0.00 0.00 60.65 58.41 3g61 s ILE 547 Cb 0.00 -1.57 0.01 0.00 -1.06 0.00 0.00 42.46 39.84 3g61 s ILE 547 CO 0.00 0.41 0.03 -0.22 -0.10 0.00 0.00 174.94 175.06 3g61 s LEU 548 N -0.85 1.73 -0.00 2.97 0.20 -0.83 -1.50 118.68 120.40 3g61 s LEU 548 Ca 0.09 0.07 0.04 0.00 0.69 0.00 0.00 54.13 55.02 3g61 s LEU 548 Cb -0.09 0.09 -0.01 0.00 -0.43 0.00 0.00 46.19 45.75 3g61 s LEU 548 CO 0.00 -0.03 -0.12 -0.76 -0.29 0.00 0.00 176.35 175.15 3g61 s LEU 549 N 0.21 2.05 -0.29 -0.68 1.02 -0.75 -1.32 118.68 118.92 3g61 s LEU 549 Ca -0.02 -0.25 0.02 0.00 0.02 0.00 0.00 54.13 53.90 3g61 s LEU 549 Cb -0.02 -0.58 0.08 0.00 0.02 0.00 0.00 46.19 45.68 3g61 s LEU 549 CO -0.01 0.12 0.01 -0.76 0.02 0.00 0.00 176.35 175.73 3g61 s LEU 550 N -0.43 3.22 -1.34 1.79 1.02 -0.78 -1.42 118.68 120.75 3g61 s LEU 550 Ca 0.04 -1.60 -0.17 0.00 0.02 0.00 0.00 54.13 52.42 3g61 s LEU 550 Cb -0.05 -1.26 0.07 0.00 0.02 0.00 0.00 46.19 44.96 3g61 s LEU 550 CO -0.00 -0.32 1.86 -0.67 0.02 0.00 0.00 176.35 177.24 3g61 n ASP 551 N 4.57 4.67 0.00 2.29 4.64 -0.62 -1.73 116.55 130.37 3g61 n ASP 551 Ca -0.05 -2.90 0.00 0.00 -1.38 0.00 0.00 54.79 50.46 3g61 n ASP 551 Cb 0.43 -1.72 0.00 0.00 -1.04 0.00 0.00 41.12 38.79 3g61 n ASP 551 CO 0.00 0.00 0.00 -0.62 -0.82 0.00 0.00 177.20 175.76 3g61 n GLU 552 N 7.66 0.00 0.01 -0.67 1.02 -0.57 -2.70 120.64 125.38 3g61 n GLU 552 Ca 0.49 0.00 0.00 0.00 -0.02 0.00 0.00 57.16 57.63 3g61 n GLU 552 Cb 0.44 -3.31 0.00 0.00 -0.02 0.00 0.00 31.44 28.55 3g61 n GLU 552 CO 0.00 0.00 0.00 0.00 1.18 0.00 0.00 177.13 178.31 3g61 n ALA 553 N 0.96 0.00 -0.02 0.62 0.00 -1.26 0.47 120.51 121.27 3g61 n ALA 553 Ca 0.00 0.00 -0.21 0.00 0.00 0.00 0.00 53.44 53.23 3g61 n ALA 553 Cb 0.00 0.00 -0.13 0.00 0.00 0.00 0.00 19.45 19.32 3g61 n ALA 553 CO 0.00 0.00 0.00 -2.37 0.00 0.00 0.00 177.50 175.13 3g61 n THR 554 N -0.30 1.72 -1.22 0.00 5.66 -1.26 -4.82 114.28 114.06 3g61 n THR 554 Ca 0.00 -0.62 -0.37 0.00 -3.05 0.00 0.00 64.05 60.01 3g61 n THR 554 Cb 0.12 -1.69 0.04 0.00 -1.55 0.00 0.00 70.33 67.26 3g61 n THR 554 CO 0.00 0.00 0.00 -1.20 -3.05 0.00 0.00 175.07 170.82 3g61 n SER 555 N -3.49 -2.78 -2.95 1.09 7.64 1.67 -3.70 113.62 111.11 3g61 n SER 555 Ca -0.35 0.55 -0.12 0.00 1.01 0.00 0.00 58.87 59.96 3g61 n SER 555 Cb 1.02 -1.02 0.06 0.00 -1.01 0.00 0.00 64.21 63.26 3g61 n SER 555 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 3g61 n ALA 556 N -2.09 -2.15 -3.62 -0.43 0.00 -1.26 -4.99 120.51 105.96 3g61 n ALA 556 Ca 0.07 0.11 -0.08 0.00 0.00 0.00 0.00 53.44 53.55 3g61 n ALA 556 Cb 0.50 -4.85 -0.06 0.00 0.00 0.00 0.00 19.45 15.04 3g61 n ALA 556 CO 0.00 0.00 0.00 -1.17 0.00 0.00 0.00 177.50 176.33 3g61 s LEU 557 N -4.96 -0.34 1.11 0.00 2.96 -1.24 -5.02 118.68 111.18 3g61 s LEU 557 Ca 0.38 0.56 -0.18 0.00 -0.22 0.00 0.00 54.13 54.67 3g61 s LEU 557 Cb -0.05 1.72 0.12 0.00 0.50 0.00 0.00 46.19 48.48 3g61 s LEU 557 CO 0.61 -0.18 0.05 -0.90 -1.32 0.00 0.00 176.35 174.60 3g61 n ASP 558 N 1.55 -2.63 0.00 3.68 5.68 -1.26 -4.72 116.55 118.85 3g61 n ASP 558 Ca -0.11 -0.23 0.00 0.00 -0.50 0.00 0.00 54.79 53.96 3g61 n ASP 558 Cb 0.57 -0.89 0.00 0.00 -1.14 0.00 0.00 41.12 39.66 3g61 n ASP 558 CO 0.00 0.00 0.00 0.35 -1.33 0.00 0.00 177.20 176.22 3g61 n THR 559 N -4.46 0.00 -0.29 2.12 -2.24 -1.26 -2.20 114.28 105.95 3g61 n THR 559 Ca 0.02 0.67 -0.01 0.00 -2.27 0.00 0.00 64.05 62.46 3g61 n THR 559 Cb 0.56 -1.33 0.03 0.00 -2.10 0.00 0.00 70.33 67.49 3g61 n THR 559 CO 0.00 0.00 0.00 1.21 -0.57 0.00 0.00 175.07 175.71 3g61 n GLU 560 N -0.52 -0.18 -0.04 -0.78 0.00 -1.26 0.17 120.64 118.03 3g61 n GLU 560 Ca 0.00 1.16 -0.09 0.00 0.00 0.00 0.00 57.16 58.23 3g61 n GLU 560 Cb 0.00 -1.72 -0.02 0.00 0.00 0.00 0.00 31.44 29.69 3g61 n GLU 560 CO 0.00 0.00 0.00 1.03 0.00 0.00 0.00 177.13 178.16 3g61 h SER 561 N 0.00 -0.86 -0.70 4.31 0.87 -1.95 -1.54 113.55 113.69 3g61 h SER 561 Ca 0.26 0.14 0.12 0.00 -1.23 0.00 0.00 61.79 61.08 3g61 h SER 561 Cb 0.45 0.39 -0.13 0.00 -0.44 0.00 0.00 62.40 62.67 3g61 h SER 561 CO -0.75 -0.30 -0.33 -0.08 -0.53 0.00 0.00 176.83 174.83 3g61 h GLU 562 N -0.29 -0.11 -0.09 2.24 4.81 0.23 0.66 114.58 122.03 3g61 h GLU 562 Ca 0.13 0.01 0.03 0.00 -0.13 0.00 0.00 59.36 59.39 3g61 h GLU 562 Cb 0.49 0.02 -0.03 0.00 0.63 0.00 0.00 28.75 29.86 3g61 h GLU 562 CO -0.39 -0.07 -0.07 0.00 -0.73 0.00 0.00 179.01 177.75 3g61 h ALA 563 N 1.15 0.00 -0.44 2.92 0.00 -0.33 0.09 119.26 122.65 3g61 h ALA 563 Ca 0.27 0.04 0.07 0.00 0.00 0.00 0.00 54.91 55.29 3g61 h ALA 563 Cb 0.56 0.16 -0.06 0.00 0.00 0.00 0.00 17.79 18.45 3g61 h ALA 563 CO -0.76 -0.54 0.09 0.28 0.00 0.00 0.00 179.25 178.33 3g61 h VAL 564 N -0.09 0.77 0.04 0.00 2.07 -0.41 -1.23 116.25 117.40 3g61 h VAL 564 Ca 0.06 -0.08 0.01 0.00 0.82 0.00 0.00 66.70 67.52 3g61 h VAL 564 Cb 0.18 0.52 -0.04 0.00 -1.52 0.00 0.00 31.29 30.43 3g61 h VAL 564 CO -0.15 0.04 -0.37 0.58 0.02 0.00 0.00 177.57 177.69 3g61 h VAL 565 N 0.23 0.00 -1.05 2.57 2.07 -0.15 -0.42 116.25 119.50 3g61 h VAL 565 Ca 0.22 0.00 0.28 0.00 0.82 0.00 0.00 66.70 68.02 3g61 h VAL 565 Cb 0.27 0.00 -0.11 0.00 -1.52 0.00 0.00 31.29 29.92 3g61 h VAL 565 CO -0.28 0.00 0.65 -0.61 0.02 0.00 0.00 177.57 177.36 3g61 h GLN 566 N -0.49 0.40 -0.05 1.57 5.75 -0.66 0.80 115.11 122.42 3g61 h GLN 566 Ca 0.00 -0.02 0.03 0.00 -0.15 0.00 0.00 58.65 58.51 3g61 h GLN 566 Cb 0.51 -0.09 -0.04 0.00 1.07 0.00 0.00 27.48 28.94 3g61 h GLN 566 CO -0.23 0.26 -0.16 0.00 -2.65 0.00 0.00 178.83 176.06 3g61 h ALA 567 N 1.68 -0.15 -0.22 3.38 0.00 0.11 -1.27 119.26 122.80 3g61 h ALA 567 Ca 0.65 0.02 0.05 0.00 0.00 0.00 0.00 54.91 55.63 3g61 h ALA 567 Cb 1.56 0.30 -0.05 0.00 0.00 0.00 0.00 17.79 19.59 3g61 h ALA 567 CO -0.40 -0.64 -0.09 0.00 0.00 0.00 0.00 179.25 178.12 3g61 h ALA 568 N 0.74 0.10 -0.42 0.00 0.00 0.15 -2.09 119.26 117.74 3g61 h ALA 568 Ca 0.07 0.09 0.05 0.00 0.00 0.00 0.00 54.91 55.11 3g61 h ALA 568 Cb 0.33 0.23 -0.07 0.00 0.00 0.00 0.00 17.79 18.28 3g61 h ALA 568 CO -0.19 -0.51 -0.45 -0.07 0.00 0.00 0.00 179.25 178.03 3g61 h LEU 569 N -0.05 -1.53 -0.32 0.00 3.38 -0.40 -1.50 115.31 114.88 3g61 h LEU 569 Ca 0.11 0.21 0.07 0.00 0.09 0.00 0.00 57.88 58.36 3g61 h LEU 569 Cb 0.23 0.64 -0.08 0.00 0.09 0.00 0.00 40.66 41.53 3g61 h LEU 569 CO -0.26 -0.29 -0.37 0.44 0.09 0.00 0.00 178.44 178.05 3g61 h ASP 570 N -0.26 -1.20 0.00 -0.43 5.19 -0.95 1.01 116.42 119.78 3g61 h ASP 570 Ca 0.07 0.19 0.00 0.00 -0.62 0.00 0.00 57.03 56.67 3g61 h ASP 570 Cb 0.44 0.53 0.00 0.00 0.18 0.00 0.00 39.33 40.49 3g61 h ASP 570 CO -0.53 -0.36 0.28 0.11 -3.12 0.00 0.00 179.24 175.63 3g61 h LYS 571 N -0.33 0.00 0.00 3.56 1.57 -0.68 0.39 116.57 121.07 3g61 h LYS 571 Ca 0.14 0.00 -0.18 0.00 -1.87 0.00 0.00 60.65 58.74 3g61 h LYS 571 Cb 0.57 0.00 -0.03 0.00 0.08 0.00 0.00 32.23 32.84 3g61 h LYS 571 CO -0.50 0.00 -2.07 0.00 -0.57 0.00 0.00 179.45 176.31 3g61 n ALA 572 N -1.78 2.08 -1.18 3.86 0.00 0.13 -4.93 120.51 118.69 3g61 n ALA 572 Ca -0.02 -0.85 0.00 0.00 0.00 0.00 0.00 53.44 52.57 3g61 n ALA 572 Cb 0.32 -0.37 0.00 0.00 0.00 0.00 0.00 19.45 19.41 3g61 n ALA 572 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 177.50 178.04 3g61 n ARG 573 N -2.44 2.29 -0.02 0.00 1.74 0.30 -4.40 116.66 114.14 3g61 n ARG 573 Ca -0.18 0.00 0.00 0.00 -0.77 0.00 0.00 57.85 56.90 3g61 n ARG 573 Cb 0.82 0.00 0.00 0.00 -1.02 0.00 0.00 32.46 32.26 3g61 n ARG 573 CO 0.00 0.00 0.00 -1.91 -1.52 0.00 0.00 177.63 174.20 3g61 n GLU 574 N 0.00 -0.19 0.00 5.56 4.07 -1.26 -3.76 120.64 125.06 3g61 n GLU 574 Ca 0.00 0.00 0.01 0.00 -0.06 0.00 0.00 57.16 57.11 3g61 n GLU 574 Cb 0.00 -1.25 -0.01 0.00 -0.06 0.00 0.00 31.44 30.13 3g61 n GLU 574 CO 0.00 0.00 0.00 0.41 -0.06 0.00 0.00 177.13 177.48 3g61 n GLY 575 N 0.82 0.15 2.82 8.31 0.00 -1.26 -4.96 105.19 111.08 3g61 n GLY 575 Ca 0.00 -0.07 -0.14 0.00 0.00 0.00 0.00 46.02 45.80 3g61 n GLY 575 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 3g61 s ARG 576 N -0.91 0.00 0.18 1.61 0.52 -1.25 -4.97 118.95 114.13 3g61 s ARG 576 Ca 0.02 0.24 -0.33 0.00 -0.52 0.00 0.00 55.73 55.13 3g61 s ARG 576 Cb 0.02 -0.22 -0.14 0.00 0.52 0.00 0.00 34.95 35.13 3g61 s ARG 576 CO 0.08 -0.16 1.53 -2.37 0.02 0.00 0.00 175.30 174.39 3g61 n THR 577 N 4.15 0.24 -4.16 0.02 5.66 -1.16 -4.71 114.28 114.33 3g61 n THR 577 Ca -0.27 -0.06 -0.10 0.00 -3.05 0.00 0.00 64.05 60.57 3g61 n THR 577 Cb 0.51 -1.50 -0.10 0.00 -1.55 0.00 0.00 70.33 67.69 3g61 n THR 577 CO 0.00 0.00 0.00 0.28 -3.05 0.00 0.00 175.07 172.30 3g61 s THR 578 N 0.65 0.08 -0.07 1.09 -1.32 0.55 -1.96 115.64 114.66 3g61 s THR 578 Ca 0.76 -1.92 -0.05 0.00 -1.21 0.00 0.00 61.69 59.27 3g61 s THR 578 Cb -0.68 -2.14 0.02 0.00 -1.51 0.00 0.00 72.50 68.19 3g61 s THR 578 CO 0.41 -0.36 0.17 -0.51 -2.21 0.00 0.00 174.62 172.12 3g61 s ILE 579 N -4.07 -0.01 0.06 5.08 2.07 -0.43 -1.31 121.20 122.59 3g61 s ILE 579 Ca 0.27 0.05 0.02 0.00 -1.41 0.00 0.00 60.65 59.58 3g61 s ILE 579 Cb 0.07 -0.25 -0.03 0.00 0.13 0.00 0.00 42.46 42.38 3g61 s ILE 579 CO 0.04 0.02 -0.07 0.54 -1.91 0.00 0.00 174.94 173.56 3g61 s VAL 580 N 0.44 0.56 -0.11 4.00 0.11 -0.44 -1.86 120.40 123.11 3g61 s VAL 580 Ca -0.03 -1.42 0.02 0.00 -2.93 0.00 0.00 61.98 57.62 3g61 s VAL 580 Cb -0.04 -1.03 0.01 0.00 -1.53 0.00 0.00 36.38 33.78 3g61 s VAL 580 CO -0.02 -0.60 -0.18 -0.51 -3.33 0.00 0.00 175.10 170.46 3g61 s ILE 581 N -2.33 1.73 -0.06 7.04 1.10 -0.71 0.42 121.20 128.40 3g61 s ILE 581 Ca -0.01 -0.79 -0.29 0.00 -0.51 0.00 0.00 60.65 59.04 3g61 s ILE 581 Cb -0.04 -1.55 0.10 0.00 0.15 0.00 0.00 42.46 41.13 3g61 s ILE 581 CO -0.02 0.49 0.85 0.00 -2.11 0.00 0.00 174.94 174.15 3g61 s ALA 582 N 0.82 -1.83 -2.31 1.50 0.00 -1.03 -1.51 121.76 117.39 3g61 s ALA 582 Ca -0.09 1.28 0.25 0.00 0.00 0.00 0.00 51.96 53.40 3g61 s ALA 582 Cb -0.16 -0.10 0.47 0.00 0.00 0.00 0.00 23.12 23.33 3g61 s ALA 582 CO 0.00 -0.46 1.40 0.72 0.00 0.00 0.00 175.76 177.42 3g61 n HIS 583 N 0.43 0.00 -1.93 0.00 8.25 -1.26 -4.51 115.22 116.19 3g61 n HIS 583 Ca -0.13 0.00 -0.42 0.00 -0.26 0.00 0.00 57.72 56.92 3g61 n HIS 583 Cb 0.59 -0.03 -0.00 0.00 1.12 0.00 0.00 29.99 31.67 3g61 n HIS 583 CO 0.00 0.00 0.00 0.54 0.64 0.00 0.00 176.34 177.52 3g61 n ARG 584 N 0.21 3.48 -0.47 -0.41 5.12 -1.26 -4.75 116.66 118.58 3g61 n ARG 584 Ca 0.13 -3.00 0.39 0.00 -1.93 0.00 0.00 57.85 53.43 3g61 n ARG 584 Cb 0.45 -3.00 0.63 0.00 -1.16 0.00 0.00 32.46 29.37 3g61 n ARG 584 CO 0.00 0.00 0.00 1.28 -1.93 0.00 0.00 177.63 176.98 3g61 n LEU 585 N 4.36 0.14 0.17 0.55 7.99 -1.26 0.09 117.00 129.03 3g61 n LEU 585 Ca 0.52 1.14 -0.14 0.00 -0.01 0.00 0.00 56.01 57.52 3g61 n LEU 585 Cb 0.34 -0.56 -0.08 0.00 -0.11 0.00 0.00 43.42 43.01 3g61 n LEU 585 CO 0.84 -1.22 0.52 0.77 -1.51 0.00 0.00 177.39 176.79 3g61 h SER 586 N 0.00 -1.20 0.31 -1.43 4.64 -1.97 0.39 113.55 114.29 3g61 h SER 586 Ca 0.79 0.11 0.00 0.00 -0.47 0.00 0.00 61.79 62.22 3g61 h SER 586 Cb 2.72 0.42 0.00 0.00 -0.31 0.00 0.00 62.40 65.23 3g61 h SER 586 CO -0.31 -0.49 0.00 0.35 -0.87 0.00 0.00 176.83 175.51 3g61 n THR 587 N -4.88 1.28 0.13 2.95 -2.24 0.11 -0.50 114.28 111.13 3g61 n THR 587 Ca -0.08 0.41 0.02 0.00 -2.27 0.00 0.00 64.05 62.12 3g61 n THR 587 Cb 0.35 -1.31 0.01 0.00 -2.10 0.00 0.00 70.33 67.28 3g61 n THR 587 CO 0.00 0.00 0.00 0.58 -0.57 0.00 0.00 175.07 175.08 3g61 h VAL 588 N 0.00 0.91 -0.03 2.28 2.07 0.50 -3.37 116.25 118.62 3g61 h VAL 588 Ca 0.00 -2.30 0.00 0.00 0.82 0.00 0.00 66.70 65.23 3g61 h VAL 588 Cb 0.15 2.45 -0.00 0.00 -1.52 0.00 0.00 31.29 32.37 3g61 h VAL 588 CO 0.00 0.52 -0.03 -0.09 0.02 0.00 0.00 177.57 177.99 3g61 h ARG 589 N 0.00 -0.02 -2.01 1.57 9.65 0.22 -0.50 114.38 123.29 3g61 h ARG 589 Ca -0.01 0.00 0.00 0.00 -1.10 0.00 0.00 59.98 58.87 3g61 h ARG 589 Cb 1.41 0.00 0.00 0.00 -1.39 0.00 0.00 29.97 30.00 3g61 h ARG 589 CO 0.07 -0.01 0.01 0.27 2.80 0.00 0.00 179.97 183.10 3g61 n ASN 590 N -2.89 0.00 -4.65 -3.80 6.94 -1.26 -4.69 115.26 104.91 3g61 n ASN 590 Ca -0.00 -0.88 -0.40 0.00 -0.02 0.00 0.00 54.58 53.28 3g61 n ASN 590 Cb 0.02 0.00 -0.06 0.00 -2.36 0.00 0.00 39.78 37.37 3g61 n ASN 590 CO 0.00 0.00 0.00 0.00 -1.03 0.00 0.00 177.26 176.23 3g61 s ALA 591 N 1.76 3.55 -1.47 -2.53 0.00 -0.20 -4.91 121.76 117.97 3g61 s ALA 591 Ca 0.00 -0.38 0.14 0.00 0.00 0.00 0.00 51.96 51.72 3g61 s ALA 591 Cb 0.00 -2.88 0.71 0.00 0.00 0.00 0.00 23.12 20.95 3g61 s ALA 591 CO 0.00 -0.53 1.37 -0.25 0.00 0.00 0.00 175.76 176.35 3g61 n ASP 592 N 4.99 0.00 0.00 0.00 10.43 0.10 -4.53 116.55 127.55 3g61 n ASP 592 Ca -0.03 0.05 0.00 0.00 2.57 0.00 0.00 54.79 57.38 3g61 n ASP 592 Cb 0.50 -0.27 0.00 0.00 1.84 0.00 0.00 41.12 43.19 3g61 n ASP 592 CO 0.00 0.00 0.00 0.55 -1.07 0.00 0.00 177.20 176.68 3g61 n VAL 593 N -1.27 0.00 -3.82 2.53 3.14 -1.24 -4.68 118.33 112.99 3g61 n VAL 593 Ca 0.07 0.00 -0.37 0.00 -2.96 0.00 0.00 64.34 61.08 3g61 n VAL 593 Cb 0.11 0.00 -0.06 0.00 -1.06 0.00 0.00 33.84 32.82 3g61 n VAL 593 CO 0.00 0.00 0.00 -0.63 -6.46 0.00 0.00 176.83 169.74 3g61 s ILE 594 N 0.00 5.45 -0.21 1.55 1.01 -0.48 -1.54 121.20 126.97 3g61 s ILE 594 Ca 0.00 0.28 -0.06 0.00 0.00 0.00 0.00 60.65 60.86 3g61 s ILE 594 Cb 0.00 -3.44 -0.03 0.00 0.01 0.00 0.00 42.46 39.00 3g61 s ILE 594 CO 0.00 0.59 0.04 0.00 0.00 0.00 0.00 174.94 175.57 3g61 s ALA 595 N -0.85 3.15 -0.49 9.38 0.00 -0.65 -1.87 121.76 130.44 3g61 s ALA 595 Ca 0.15 -0.97 -0.29 0.00 0.00 0.00 0.00 51.96 50.85 3g61 s ALA 595 Cb -0.12 -1.89 0.02 0.00 0.00 0.00 0.00 23.12 21.13 3g61 s ALA 595 CO 0.04 -0.17 1.23 0.20 0.00 0.00 0.00 175.76 177.06 3g61 s GLY 596 N 1.03 1.20 0.04 0.00 0.00 -0.12 -1.59 107.32 107.87 3g61 s GLY 596 Ca 0.03 -0.48 -0.03 0.00 0.00 0.00 0.00 44.72 44.24 3g61 s GLY 596 CO 0.02 2.53 0.04 -1.36 0.00 0.00 0.00 173.10 174.34 3g61 s PHE 597 N 4.86 0.31 -0.39 1.90 0.08 -0.25 -1.65 117.98 122.85 3g61 s PHE 597 Ca 0.50 -0.69 -0.01 0.00 0.12 0.00 0.00 56.93 56.86 3g61 s PHE 597 Cb -0.09 -0.22 0.24 0.00 -0.57 0.00 0.00 43.02 42.38 3g61 s PHE 597 CO 0.31 -0.35 1.08 -3.47 -0.10 0.00 0.00 175.22 172.69 3g61 n ASP 598 N 0.67 -1.91 0.00 1.36 2.03 -1.26 -2.69 116.55 114.75 3g61 n ASP 598 Ca -0.18 -2.03 0.00 0.00 0.52 0.00 0.00 54.79 53.10 3g61 n ASP 598 Cb 0.59 1.07 0.00 0.00 -0.72 0.00 0.00 41.12 42.05 3g61 n ASP 598 CO 0.00 0.00 0.00 0.61 -1.92 0.00 0.00 177.20 175.89 3g61 n GLY 599 N 1.95 0.76 0.00 0.27 0.00 -1.26 -4.38 105.19 102.54 3g61 n GLY 599 Ca 0.07 -0.12 0.00 0.00 0.00 0.00 0.00 46.02 45.97 3g61 n GLY 599 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3g61 n GLY 600 N -2.45 0.77 2.93 -0.02 0.00 -1.02 -4.76 105.19 100.65 3g61 n GLY 600 Ca 0.00 -0.79 -0.10 0.00 0.00 0.00 0.00 46.02 45.13 3g61 n GLY 600 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3g61 s VAL 601 N -1.48 -0.58 -0.55 1.61 0.11 -1.26 -4.92 120.40 113.32 3g61 s VAL 601 Ca 0.00 -0.62 -0.27 0.00 -2.93 0.00 0.00 61.98 58.16 3g61 s VAL 601 Cb 0.00 -0.42 -0.02 0.00 -1.53 0.00 0.00 36.38 34.42 3g61 s VAL 601 CO 0.00 -0.36 1.83 -0.51 -3.33 0.00 0.00 175.10 172.72 3g61 s ILE 602 N 1.58 3.40 0.00 7.04 2.07 -1.25 -4.03 121.20 130.01 3g61 s ILE 602 Ca 0.17 0.29 0.00 0.00 -1.41 0.00 0.00 60.65 59.69 3g61 s ILE 602 Cb -0.11 -3.91 0.00 0.00 0.13 0.00 0.00 42.46 38.57 3g61 s ILE 602 CO -0.04 -0.82 0.00 1.33 -1.91 0.00 0.00 174.94 173.50 3g61 n VAL 603 N 7.24 0.00 -2.72 4.00 0.24 -0.66 -5.03 118.33 121.40 3g61 n VAL 603 Ca 0.21 0.00 -0.42 0.00 -2.04 0.00 0.00 64.34 62.09 3g61 n VAL 603 Cb 0.51 0.00 -0.03 0.00 -1.47 0.00 0.00 33.84 32.85 3g61 n VAL 603 CO 0.00 0.00 0.00 -1.61 -2.14 0.00 0.00 176.83 173.08 3g61 s GLU 604 N 1.29 4.53 0.13 7.34 2.02 -1.26 -4.79 118.70 127.96 3g61 s GLU 604 Ca 0.00 1.40 0.05 0.00 0.02 0.00 0.00 54.97 56.44 3g61 s GLU 604 Cb 0.00 -3.47 -0.04 0.00 0.10 0.00 0.00 34.13 30.72 3g61 s GLU 604 CO 0.00 -0.09 -0.12 1.14 0.02 0.00 0.00 175.26 176.21 3g61 s GLN 605 N 1.16 1.00 0.00 1.61 -2.07 -1.26 -0.95 119.66 119.15 3g61 s GLN 605 Ca 0.51 -1.29 0.00 0.00 -1.82 0.00 0.00 55.36 52.76 3g61 s GLN 605 Cb -0.20 -0.73 0.00 0.00 -1.09 0.00 0.00 33.01 30.98 3g61 s GLN 605 CO 0.26 0.12 0.00 0.41 -1.32 0.00 0.00 175.29 174.76 3g61 n GLY 606 N 0.31 1.08 3.70 2.60 0.00 -0.78 -4.88 105.19 107.22 3g61 n GLY 606 Ca -0.14 -2.09 -0.36 0.00 0.00 0.00 0.00 46.02 43.43 3g61 n GLY 606 CO 0.00 0.00 0.00 -2.01 0.00 0.00 0.00 173.32 171.31 3g61 n ASN 607 N 0.00 1.59 0.00 1.61 5.15 -1.26 -1.39 115.26 120.96 3g61 n ASN 607 Ca 0.00 0.74 0.00 0.00 -0.60 0.00 0.00 54.58 54.72 3g61 n ASN 607 Cb 0.00 -1.52 0.00 0.00 -0.53 0.00 0.00 39.78 37.73 3g61 n ASN 607 CO 0.00 0.00 0.00 1.57 1.40 0.00 0.00 177.26 180.23 3g61 n HIS 608 N -2.36 0.00 -0.32 1.20 -0.00 -1.26 -0.48 115.22 112.00 3g61 n HIS 608 Ca 0.15 0.00 0.08 0.00 -0.00 0.00 0.00 57.72 57.95 3g61 n HIS 608 Cb 0.49 -0.19 0.17 0.00 -0.00 0.00 0.00 29.99 30.47 3g61 n HIS 608 CO 0.00 0.00 0.00 -0.25 -0.00 0.00 0.00 176.34 176.09 3g61 n ASP 609 N -1.78 -0.25 -0.30 0.26 9.92 -1.26 -0.24 116.55 122.90 3g61 n ASP 609 Ca 0.00 1.55 0.04 0.00 -0.53 0.00 0.00 54.79 55.85 3g61 n ASP 609 Cb 0.00 -0.50 0.18 0.00 -0.64 0.00 0.00 41.12 40.16 3g61 n ASP 609 CO 0.00 0.00 0.00 -0.33 0.13 0.00 0.00 177.20 177.00 3g61 h GLU 610 N 0.00 0.77 0.01 -1.24 5.08 -1.11 0.79 114.58 118.88 3g61 h GLU 610 Ca 0.47 -0.05 -0.20 0.00 -1.00 0.00 0.00 59.36 58.59 3g61 h GLU 610 Cb 0.82 -0.17 -0.01 0.00 0.50 0.00 0.00 28.75 29.89 3g61 h GLU 610 CO -0.91 0.51 -0.91 -0.07 -1.00 0.00 0.00 179.01 176.64 3g61 h LEU 611 N 0.80 0.24 -0.19 1.33 4.07 -0.05 -1.80 115.31 119.71 3g61 h LEU 611 Ca 0.42 -0.21 -0.02 0.00 0.08 0.00 0.00 57.88 58.15 3g61 h LEU 611 Cb 0.42 -0.08 -0.01 0.00 1.08 0.00 0.00 40.66 42.07 3g61 h LEU 611 CO -0.26 1.03 0.02 0.24 -1.08 0.00 0.00 178.44 178.38 3g61 h MET 612 N 0.10 0.32 0.00 1.13 2.86 -0.21 -0.05 114.93 119.08 3g61 h MET 612 Ca -0.05 -0.09 0.00 0.00 -2.06 0.00 0.00 59.70 57.50 3g61 h MET 612 Cb 1.55 -0.03 0.00 0.00 0.06 0.00 0.00 31.60 33.17 3g61 h MET 612 CO 0.14 0.50 0.00 0.54 1.06 0.00 0.00 176.91 179.14 3g61 n ARG 613 N -4.74 0.45 0.00 1.72 5.12 0.27 -1.56 116.66 117.92 3g61 n ARG 613 Ca -0.04 0.05 0.12 0.00 -1.93 0.00 0.00 57.85 56.05 3g61 n ARG 613 Cb 0.20 -1.50 0.23 0.00 -1.16 0.00 0.00 32.46 30.23 3g61 n ARG 613 CO 0.00 0.00 0.00 -1.91 -1.93 0.00 0.00 177.63 173.79 3g61 n GLU 614 N -1.12 1.83 -3.39 5.56 4.07 -0.05 -4.96 120.64 122.58 3g61 n GLU 614 Ca 0.12 -1.38 -0.16 0.00 -0.06 0.00 0.00 57.16 55.68 3g61 n GLU 614 Cb 0.10 -1.47 -0.05 0.00 -0.06 0.00 0.00 31.44 29.95 3g61 n GLU 614 CO 0.00 0.00 0.00 1.63 -0.06 0.00 0.00 177.13 178.70 3g61 n LYS 615 N 0.62 -0.96 0.00 5.31 5.02 -0.60 -4.81 118.16 122.74 3g61 n LYS 615 Ca 0.14 0.05 0.00 0.00 -2.02 0.00 0.00 58.31 56.48 3g61 n LYS 615 Cb 0.49 -1.85 0.00 0.00 -0.02 0.00 0.00 35.03 33.64 3g61 n LYS 615 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 3g61 n GLY 616 N -1.73 2.10 0.07 0.72 0.00 -1.26 -4.87 105.19 100.22 3g61 n GLY 616 Ca -0.15 -0.07 -0.02 0.00 0.00 0.00 0.00 46.02 45.78 3g61 n GLY 616 CO 0.00 0.00 0.00 -2.22 0.00 0.00 0.00 173.32 171.10 3g61 h ILE 617 N 0.00 0.00 -0.03 -0.61 1.08 -1.88 -1.45 117.51 114.63 3g61 h ILE 617 Ca 0.00 -0.42 0.02 0.00 -0.39 0.00 0.00 64.86 64.07 3g61 h ILE 617 Cb 0.00 0.00 -0.05 0.00 -3.07 0.00 0.00 36.82 33.70 3g61 h ILE 617 CO 0.00 0.00 -0.43 0.22 -0.69 0.00 0.00 178.15 177.25 3g61 h TYR 618 N -0.54 -1.28 -0.63 1.37 3.20 -1.93 0.41 116.97 117.58 3g61 h TYR 618 Ca -0.01 0.04 0.11 0.00 3.14 0.00 0.00 58.73 62.01 3g61 h TYR 618 Cb 0.09 0.56 -0.12 0.00 1.54 0.00 0.00 36.73 38.81 3g61 h TYR 618 CO 0.02 -0.46 -0.36 0.35 -1.64 0.00 0.00 178.16 176.07 3g61 h PHE 619 N -0.53 -1.00 0.00 -3.82 3.57 -1.75 -0.03 116.94 113.39 3g61 h PHE 619 Ca 0.01 0.08 0.00 0.00 3.53 0.00 0.00 57.97 61.59 3g61 h PHE 619 Cb 0.57 0.53 0.00 0.00 2.79 0.00 0.00 35.95 39.85 3g61 h PHE 619 CO -0.50 -0.39 0.00 1.17 -2.23 0.00 0.00 178.31 176.35 3g61 n LYS 620 N -5.43 0.00 -0.32 1.11 0.00 -0.41 -1.53 118.16 111.57 3g61 n LYS 620 Ca 0.04 0.37 0.20 0.00 0.00 0.00 0.00 58.31 58.92 3g61 n LYS 620 Cb 0.36 -1.02 0.39 0.00 0.00 0.00 0.00 35.03 34.76 3g61 n LYS 620 CO 0.00 0.00 0.00 -0.07 0.00 0.00 0.00 177.40 177.33 3g61 h LEU 621 N 0.00 -0.06 -0.57 3.14 -0.00 -0.80 0.71 115.31 117.74 3g61 h LEU 621 Ca 0.00 0.25 0.11 0.00 -0.00 0.00 0.00 57.88 58.24 3g61 h LEU 621 Cb 0.00 0.35 -0.09 0.00 -0.00 0.00 0.00 40.66 40.92 3g61 h LEU 621 CO 0.00 -0.31 0.08 0.58 -0.00 0.00 0.00 178.44 178.78 3g61 h VAL 622 N 0.08 0.62 0.00 1.22 2.07 -0.47 0.20 116.25 119.96 3g61 h VAL 622 Ca 0.67 -0.07 0.00 0.00 0.82 0.00 0.00 66.70 68.12 3g61 h VAL 622 Cb 1.52 0.40 0.00 0.00 -1.52 0.00 0.00 31.29 31.69 3g61 h VAL 622 CO -0.79 0.04 0.00 0.24 0.02 0.00 0.00 177.57 177.07 3g61 h MET 623 N 0.20 0.00 0.01 1.57 2.86 0.15 -2.06 114.93 117.66 3g61 h MET 623 Ca 0.30 0.00 -0.20 0.00 -2.06 0.00 0.00 59.70 57.73 3g61 h MET 623 Cb 0.45 0.00 -0.01 0.00 0.06 0.00 0.00 31.60 32.09 3g61 h MET 623 CO -0.42 0.00 -0.91 1.15 1.06 0.00 0.00 176.91 177.79 3g61 h THR 624 N 0.00 1.53 -0.01 2.22 2.02 0.71 -3.08 112.91 116.30 3g61 h THR 624 Ca 0.00 -2.76 0.00 0.00 0.77 0.00 0.00 66.41 64.42 3g61 h THR 624 Cb 0.69 2.55 0.00 0.00 -1.74 0.00 0.00 68.15 69.66 3g61 h THR 624 CO 0.00 0.80 -0.44 0.00 0.37 0.00 0.00 175.52 176.25 3g61 n GLN 625 N -3.60 0.64 0.00 6.66 6.02 -0.61 -5.09 117.38 121.40 3g61 n GLN 625 Ca -0.03 -0.44 0.00 0.00 -0.01 0.00 0.00 57.00 56.52 3g61 n GLN 625 Cb 0.84 -1.49 0.00 0.00 1.02 0.00 0.00 30.24 30.61 3g61 n GLN 625 CO 0.00 0.00 0.00 2.41 -1.01 0.00 0.00 177.06 178.46 3g61 n THR 626 N -0.80 0.00 -2.91 5.09 -1.04 -0.78 -5.10 114.28 108.74 3g61 n THR 626 Ca 0.09 0.00 -0.14 0.00 -2.04 0.00 0.00 64.05 61.97 3g61 n THR 626 Cb 0.37 0.00 0.01 0.00 -1.82 0.00 0.00 70.33 68.89 3g61 n THR 626 CO 0.00 0.00 0.00 0.18 -0.64 0.00 0.00 175.07 174.61 3g61 n LEU 684 N 0.00 -1.77 -4.04 -4.42 4.77 -1.26 -4.63 117.00 105.64 3g61 n LEU 684 Ca 0.00 -3.82 -0.32 0.00 -0.03 0.00 0.00 56.01 51.84 3g61 n LEU 684 Cb 0.00 0.77 -0.15 0.00 -2.33 0.00 0.00 43.42 41.71 3g61 n LEU 684 CO 0.00 2.03 -0.46 -1.81 -1.33 0.00 0.00 177.39 175.83 3g61 s ASP 685 N -1.52 4.15 0.00 -1.43 1.11 -1.26 -5.01 116.67 112.71 3g61 s ASP 685 Ca 0.33 -1.26 0.00 0.00 0.18 0.00 0.00 52.55 51.80 3g61 s ASP 685 Cb 0.21 -1.44 0.00 0.00 1.07 0.00 0.00 42.92 42.76 3g61 s ASP 685 CO -0.19 -0.18 0.00 -0.62 1.18 0.00 0.00 175.17 175.36 3g61 n GLU 686 N 4.51 0.00 -2.68 8.23 4.71 -1.26 -5.09 120.64 129.06 3g61 n GLU 686 Ca -0.14 0.00 -0.04 0.00 -0.01 0.00 0.00 57.16 56.97 3g61 n GLU 686 Cb 0.43 0.00 -0.03 0.00 -1.01 0.00 0.00 31.44 30.83 3g61 n GLU 686 CO 0.00 0.00 0.00 -0.25 0.09 0.00 0.00 177.13 176.97 3g61 n ASP 687 N 0.00 -3.01 -4.07 1.62 9.92 -1.26 -5.03 116.55 114.71 3g61 n ASP 687 Ca 0.00 1.29 -0.27 0.00 -0.53 0.00 0.00 54.79 55.29 3g61 n ASP 687 Cb 0.00 -4.18 -0.17 0.00 -0.64 0.00 0.00 41.12 36.14 3g61 n ASP 687 CO 0.00 0.00 0.00 0.68 0.13 0.00 0.00 177.20 178.01 3g61 s VAL 688 N -0.46 1.38 0.01 2.53 -7.23 -1.26 -5.09 120.40 110.27 3g61 s VAL 688 Ca -0.18 -0.62 -0.02 0.00 -1.81 0.00 0.00 61.98 59.35 3g61 s VAL 688 Cb 0.01 -1.23 -0.01 0.00 0.56 0.00 0.00 36.38 35.71 3g61 s VAL 688 CO 0.49 0.41 1.03 -0.65 -0.31 0.00 0.00 175.10 176.07 3g61 h PRO 689 N 6.92 -0.05 -5.13 4.82 0.11 -2.05 -3.43 132.00 133.19 3g61 h PRO 689 Ca -0.28 0.00 -0.59 0.00 0.11 0.00 0.00 66.00 65.25 3g61 h PRO 689 Cb 1.20 0.01 -0.06 0.00 0.11 0.00 0.00 31.00 32.26 3g61 h PRO 689 CO 0.47 -0.03 1.46 -2.30 -0.21 0.00 0.00 178.00 177.39 3g61 n PRO 690 N -2.59 0.00 0.00 1.05 -0.02 -1.26 -4.90 135.00 127.28 3g61 n PRO 690 Ca -0.01 0.00 0.00 0.00 -2.02 0.00 0.00 63.50 61.47 3g61 n PRO 690 Cb 0.03 -1.41 0.00 0.00 -0.02 0.00 0.00 33.50 32.10 3g61 n PRO 690 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 3g61 n ALA 691 N 8.52 0.00 -3.15 3.55 0.00 -1.26 -4.93 120.51 123.23 3g61 n ALA 691 Ca 0.57 0.00 0.05 0.00 0.00 0.00 0.00 53.44 54.06 3g61 n ALA 691 Cb -0.00 0.00 -0.00 0.00 0.00 0.00 0.00 19.45 19.44 3g61 n ALA 691 CO 0.00 0.00 0.00 -1.54 0.00 0.00 0.00 177.50 175.96 3g61 s SER 692 N -1.00 -0.63 -0.35 0.00 1.04 -1.26 -5.01 113.70 106.49 3g61 s SER 692 Ca 0.00 0.14 -0.28 0.00 0.48 0.00 0.00 55.95 56.29 3g61 s SER 692 Cb 0.00 1.42 0.02 0.00 0.10 0.00 0.00 66.02 67.56 3g61 s SER 692 CO 0.00 -0.12 1.04 0.72 0.98 0.00 0.00 173.24 175.87 3g61 s PHE 693 N 2.94 3.09 0.00 5.02 -0.12 -1.26 -3.79 117.98 123.85 3g61 s PHE 693 Ca 0.19 1.02 0.00 0.00 -0.05 0.00 0.00 56.93 58.09 3g61 s PHE 693 Cb -0.05 -3.78 0.00 0.00 -0.63 0.00 0.00 43.02 38.56 3g61 s PHE 693 CO -0.21 -0.85 0.00 0.91 -0.05 0.00 0.00 175.22 175.02 3g61 n TRP 694 N 6.97 0.00 -0.13 3.49 5.03 -1.26 -4.66 117.44 126.88 3g61 n TRP 694 Ca 0.11 0.00 -0.09 0.00 3.03 0.00 0.00 57.50 60.54 3g61 n TRP 694 Cb 0.48 -0.76 -0.01 0.00 -1.03 0.00 0.00 31.31 29.98 3g61 n TRP 694 CO 0.00 0.00 0.00 -0.09 -0.03 0.00 0.00 177.69 177.57 3g61 h ARG 695 N 0.47 0.60 -0.50 -0.99 1.12 -1.99 -0.11 114.38 112.98 3g61 h ARG 695 Ca 0.00 -0.12 -0.06 0.00 -1.11 0.00 0.00 59.98 58.69 3g61 h ARG 695 Cb 0.00 -0.09 -0.02 0.00 -0.01 0.00 0.00 29.97 29.85 3g61 h ARG 695 CO 0.00 0.60 0.06 -0.84 -3.11 0.00 0.00 179.97 176.68 3g61 h ILE 696 N 0.49 1.23 -0.01 1.20 3.07 -1.83 -1.45 117.51 120.21 3g61 h ILE 696 Ca 0.13 -0.89 -0.00 0.00 1.55 0.00 0.00 64.86 65.64 3g61 h ILE 696 Cb 0.24 0.78 -0.00 0.00 -0.27 0.00 0.00 36.82 37.56 3g61 h ILE 696 CO -0.01 0.32 0.01 0.17 -1.05 0.00 0.00 178.15 177.59 3g61 h LEU 697 N 0.75 0.01 0.36 0.16 8.10 -1.70 1.60 115.31 124.60 3g61 h LEU 697 Ca 0.16 -0.06 -0.02 0.00 0.11 0.00 0.00 57.88 58.07 3g61 h LEU 697 Cb 0.36 -0.00 0.00 0.00 -0.44 0.00 0.00 40.66 40.58 3g61 h LEU 697 CO 0.01 0.07 -0.17 0.11 -4.11 0.00 0.00 178.44 174.34 3g61 h LYS 698 N -0.04 -0.47 -0.88 0.17 1.57 -0.81 1.07 116.57 117.18 3g61 h LYS 698 Ca 0.00 0.03 0.12 0.00 -1.87 0.00 0.00 60.65 58.93 3g61 h LYS 698 Cb 0.05 0.11 -0.08 0.00 0.08 0.00 0.00 32.23 32.39 3g61 h LYS 698 CO -0.00 -0.31 0.51 -0.07 -0.57 0.00 0.00 179.45 179.01 3g61 h LEU 699 N -0.48 0.71 -0.04 2.94 -0.00 -1.08 0.21 115.31 117.56 3g61 h LEU 699 Ca -0.05 0.06 0.02 0.00 -0.00 0.00 0.00 57.88 57.91 3g61 h LEU 699 Cb 0.37 -0.07 -0.04 0.00 -0.00 0.00 0.00 40.66 40.92 3g61 h LEU 699 CO 0.08 0.37 -0.34 -1.13 -0.00 0.00 0.00 178.44 177.43 3g61 h ASN 700 N 0.80 -1.05 -0.90 -0.43 -1.24 0.41 -0.61 115.58 112.57 3g61 h ASN 700 Ca 0.44 0.12 0.25 0.00 0.71 0.00 0.00 56.30 57.82 3g61 h ASN 700 Cb 0.48 0.40 -0.04 0.00 0.73 0.00 0.00 38.32 39.89 3g61 h ASN 700 CO -0.28 -0.31 0.63 0.28 -1.29 0.00 0.00 177.43 176.46 3g61 h SER 701 N -0.39 0.09 0.21 1.15 0.02 0.40 -1.68 113.55 113.35 3g61 h SER 701 Ca 0.01 0.01 -0.01 0.00 -0.84 0.00 0.00 61.79 60.96 3g61 h SER 701 Cb 0.43 -0.00 0.00 0.00 0.14 0.00 0.00 62.40 62.97 3g61 h SER 701 CO -0.25 0.03 -0.10 0.74 -1.14 0.00 0.00 176.83 176.11 3g61 h THR 702 N 0.08 0.00 0.00 -2.27 2.02 0.67 -2.76 112.91 110.66 3g61 h THR 702 Ca 0.44 -0.10 0.00 0.00 0.77 0.00 0.00 66.41 67.52 3g61 h THR 702 Cb 1.60 0.00 0.00 0.00 -1.74 0.00 0.00 68.15 68.01 3g61 h THR 702 CO -0.05 0.00 0.22 -0.62 0.37 0.00 0.00 175.52 175.44 3g61 n GLU 703 N -3.03 0.00 -3.89 6.66 4.71 -0.61 -4.05 120.64 120.42 3g61 n GLU 703 Ca -0.04 0.19 -0.35 0.00 -0.01 0.00 0.00 57.16 56.95 3g61 n GLU 703 Cb 0.11 -1.72 -0.11 0.00 -1.01 0.00 0.00 31.44 28.72 3g61 n GLU 703 CO 0.00 0.00 0.00 -0.46 0.09 0.00 0.00 177.13 176.76 3g61 s TRP 704 N -2.27 3.20 -0.04 -0.32 -0.00 -0.78 -4.58 118.94 114.15 3g61 s TRP 704 Ca 0.00 -0.06 -0.12 0.00 -0.00 0.00 0.00 56.10 55.92 3g61 s TRP 704 Cb 0.00 -2.16 -0.06 0.00 -0.00 0.00 0.00 33.47 31.25 3g61 s TRP 704 CO 0.00 -0.03 0.51 -1.00 -0.00 0.00 0.00 176.95 176.44 3g61 h PRO 705 N 7.32 -0.40 0.00 5.86 0.13 -1.79 -3.46 132.00 139.66 3g61 h PRO 705 Ca -0.37 0.03 0.00 0.00 -0.87 0.00 0.00 66.00 64.79 3g61 h PRO 705 Cb 1.17 0.09 0.00 0.00 0.13 0.00 0.00 31.00 32.39 3g61 h PRO 705 CO 0.65 -0.27 0.00 2.48 -0.23 0.00 0.00 178.00 180.63 3g61 n TYR 706 N -4.75 0.00 -2.67 1.56 0.18 -1.26 -5.06 117.16 105.15 3g61 n TYR 706 Ca -0.05 0.00 -0.04 0.00 1.88 0.00 0.00 57.90 59.69 3g61 n TYR 706 Cb 0.16 0.00 0.07 0.00 -0.38 0.00 0.00 39.34 39.19 3g61 n TYR 706 CO 0.00 0.00 0.00 1.19 -2.08 0.00 0.00 176.86 175.97 3g61 n PHE 707 N -0.28 -0.86 -0.26 -3.48 0.99 -1.26 -4.94 117.46 107.37 3g61 n PHE 707 Ca 0.00 -0.99 0.04 0.00 -0.00 0.00 0.00 57.45 56.50 3g61 n PHE 707 Cb 0.00 1.27 0.17 0.00 -1.00 0.00 0.00 39.48 39.92 3g61 n PHE 707 CO 0.00 0.00 0.00 -0.24 -0.00 0.00 0.00 176.76 176.52 3g61 h VAL 708 N 0.82 0.76 -0.97 -4.37 3.04 -1.99 1.39 116.25 114.93 3g61 h VAL 708 Ca -0.39 -0.19 0.28 0.00 -1.01 0.00 0.00 66.70 65.39 3g61 h VAL 708 Cb 1.22 0.16 -0.18 0.00 -2.01 0.00 0.00 31.29 30.48 3g61 h VAL 708 CO -0.07 0.10 0.09 1.62 -1.01 0.00 0.00 177.57 178.30 3g61 h VAL 709 N 0.55 0.06 0.00 1.51 3.04 -1.98 0.86 116.25 120.29 3g61 h VAL 709 Ca 0.39 -0.01 0.00 0.00 -1.01 0.00 0.00 66.70 66.07 3g61 h VAL 709 Cb 0.52 0.03 0.00 0.00 -2.01 0.00 0.00 31.29 29.82 3g61 h VAL 709 CO -0.34 0.01 0.00 0.61 -1.01 0.00 0.00 177.57 176.84 3g61 n GLY 710 N -1.46 -2.88 0.32 3.17 0.00 0.47 -1.67 105.19 103.15 3g61 n GLY 710 Ca 0.24 0.09 0.16 0.00 0.00 0.00 0.00 46.02 46.51 3g61 n GLY 710 CO 0.00 0.00 0.00 1.19 0.00 0.00 0.00 173.32 174.51 3g61 h ILE 711 N 0.00 0.16 0.00 -0.61 6.09 -0.43 -1.74 117.51 120.99 3g61 h ILE 711 Ca 0.00 -0.04 0.00 0.00 -1.37 0.00 0.00 64.86 63.45 3g61 h ILE 711 Cb 0.00 0.05 0.00 0.00 0.47 0.00 0.00 36.82 37.34 3g61 h ILE 711 CO 0.00 0.02 0.00 0.33 -3.07 0.00 0.00 178.15 175.43 3g61 n PHE 712 N -5.32 0.00 -0.46 2.19 -0.00 0.28 -0.51 117.46 113.63 3g61 n PHE 712 Ca 0.24 0.00 0.38 0.00 -0.00 0.00 0.00 57.45 58.08 3g61 n PHE 712 Cb 0.80 0.00 0.63 0.00 -0.00 0.00 0.00 39.48 40.92 3g61 n PHE 712 CO 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 176.76 176.76 3g61 h ALA 714 N 1.35 -0.86 -0.52 0.00 0.00 -0.36 -1.66 119.26 117.20 3g61 h ALA 714 Ca 0.80 -0.20 0.05 0.00 0.00 0.00 0.00 54.91 55.57 3g61 h ALA 714 Cb 2.71 0.33 -0.08 0.00 0.00 0.00 0.00 17.79 20.75 3g61 h ALA 714 CO -0.35 -0.96 -0.49 0.82 0.00 0.00 0.00 179.25 178.27 3g61 h ILE 715 N -0.92 0.00 -0.93 0.00 1.08 0.55 0.58 117.51 117.88 3g61 h ILE 715 Ca -0.09 0.00 0.25 0.00 -0.39 0.00 0.00 64.86 64.63 3g61 h ILE 715 Cb 0.68 0.00 -0.05 0.00 -3.07 0.00 0.00 36.82 34.38 3g61 h ILE 715 CO 0.14 0.00 0.64 0.16 -0.69 0.00 0.00 178.15 178.41 3g61 h ILE 716 N -0.24 0.58 -0.79 -0.67 3.07 -1.31 1.16 117.51 119.31 3g61 h ILE 716 Ca 0.09 -0.06 -0.04 0.00 1.55 0.00 0.00 64.86 66.40 3g61 h ILE 716 Cb 0.47 0.39 -0.04 0.00 -0.27 0.00 0.00 36.82 37.37 3g61 h ILE 716 CO -0.61 0.03 0.36 -1.13 -1.05 0.00 0.00 178.15 175.74 3g61 h ASN 717 N 0.17 1.05 0.55 2.16 -0.73 0.11 0.30 115.58 119.20 3g61 h ASN 717 Ca 0.47 -0.14 -0.02 0.00 1.87 0.00 0.00 56.30 58.48 3g61 h ASN 717 Cb 1.54 -0.27 -0.02 0.00 0.27 0.00 0.00 38.32 39.85 3g61 h ASN 717 CO -0.09 0.91 -0.45 1.23 -0.37 0.00 0.00 177.43 178.66 3g61 h GLY 718 N 1.16 -1.13 -0.51 1.57 0.00 0.23 0.72 103.07 105.12 3g61 h GLY 718 Ca 0.27 0.51 0.36 0.00 0.00 0.00 0.00 47.33 48.47 3g61 h GLY 718 CO -0.03 -0.37 0.88 -1.33 0.00 0.00 0.00 176.54 175.69 3g61 h GLY 719 N -0.97 0.18 0.64 4.60 0.00 -0.46 0.22 103.07 107.28 3g61 h GLY 719 Ca -0.06 -0.03 -0.00 0.00 0.00 0.00 0.00 47.33 47.24 3g61 h GLY 719 CO -0.01 -0.03 -0.04 -2.00 0.00 0.00 0.00 176.54 174.47 3g61 h LEU 720 N 0.05 -0.09 0.06 3.11 5.85 0.19 -1.27 115.31 123.21 3g61 h LEU 720 Ca 0.61 -0.31 0.02 0.00 0.84 0.00 0.00 57.88 59.04 3g61 h LEU 720 Cb 2.32 0.02 -0.05 0.00 0.37 0.00 0.00 40.66 43.32 3g61 h LEU 720 CO -0.05 0.27 -0.47 -0.61 -0.34 0.00 0.00 178.44 177.24 3g61 h GLN 721 N -0.47 -0.64 -1.00 1.25 5.75 0.37 0.36 115.11 120.73 3g61 h GLN 721 Ca -0.01 0.04 0.22 0.00 -0.15 0.00 0.00 58.65 58.75 3g61 h GLN 721 Cb 0.40 0.14 -0.11 0.00 1.07 0.00 0.00 27.48 28.98 3g61 h GLN 721 CO 0.02 -0.42 0.61 -1.35 -2.65 0.00 0.00 178.83 175.04 3g61 h PRO 722 N -0.66 0.61 -0.02 -2.39 0.11 -1.45 -1.99 132.00 126.21 3g61 h PRO 722 Ca 0.02 -0.04 0.00 0.00 0.11 0.00 0.00 66.00 66.10 3g61 h PRO 722 Cb 0.70 -0.14 -0.01 0.00 0.11 0.00 0.00 31.00 31.67 3g61 h PRO 722 CO -0.30 0.41 -0.07 0.00 -0.21 0.00 0.00 178.00 177.83 3g61 h ALA 723 N 1.67 -0.48 -0.81 -0.75 0.00 0.89 -1.39 119.26 118.38 3g61 h ALA 723 Ca 0.60 -0.01 0.08 0.00 0.00 0.00 0.00 54.91 55.58 3g61 h ALA 723 Cb 1.11 0.63 -0.11 0.00 0.00 0.00 0.00 17.79 19.42 3g61 h ALA 723 CO -0.39 -0.51 -0.58 0.35 0.00 0.00 0.00 179.25 178.13 3g61 h PHE 724 N -0.07 -1.83 -0.81 0.00 3.57 -0.50 0.40 116.94 117.70 3g61 h PHE 724 Ca 0.00 0.11 0.13 0.00 3.53 0.00 0.00 57.97 61.75 3g61 h PHE 724 Cb 0.08 0.90 -0.14 0.00 2.79 0.00 0.00 35.95 39.59 3g61 h PHE 724 CO -0.46 -0.41 -0.39 0.66 -2.23 0.00 0.00 178.31 175.48 3g61 h SER 725 N -0.13 -1.39 -0.34 0.41 4.64 -1.00 0.23 113.55 115.97 3g61 h SER 725 Ca 0.14 0.28 -0.03 0.00 -0.47 0.00 0.00 61.79 61.70 3g61 h SER 725 Cb 0.47 0.70 -0.01 0.00 -0.31 0.00 0.00 62.40 63.25 3g61 h SER 725 CO -0.83 -0.30 0.10 0.58 -0.87 0.00 0.00 176.83 175.51 3g61 h VAL 726 N -0.08 1.21 -0.94 0.95 2.07 0.06 -1.74 116.25 117.78 3g61 h VAL 726 Ca 0.28 -0.68 0.24 0.00 0.82 0.00 0.00 66.70 67.36 3g61 h VAL 726 Cb 0.57 1.02 -0.13 0.00 -1.52 0.00 0.00 31.29 31.23 3g61 h VAL 726 CO -0.85 0.23 0.46 -0.29 0.02 0.00 0.00 177.57 177.14 3g61 h ILE 727 N 0.39 0.45 0.66 4.57 -0.00 0.28 0.32 117.51 124.19 3g61 h ILE 727 Ca 0.11 -0.14 -0.03 0.00 -0.00 0.00 0.00 64.86 64.79 3g61 h ILE 727 Cb 0.26 -0.01 0.01 0.00 -0.00 0.00 0.00 36.82 37.07 3g61 h ILE 727 CO -0.00 0.08 -0.32 0.15 -0.00 0.00 0.00 178.15 178.06 3g61 h PHE 728 N 0.42 -0.83 -0.99 2.19 3.04 -0.54 -1.69 116.94 118.55 3g61 h PHE 728 Ca 0.61 -0.02 0.33 0.00 3.98 0.00 0.00 57.97 62.87 3g61 h PHE 728 Cb 1.21 0.27 -0.18 0.00 2.56 0.00 0.00 35.95 39.81 3g61 h PHE 728 CO -0.09 -0.49 0.26 0.66 -2.02 0.00 0.00 178.31 176.63 3g61 h SER 729 N -1.19 -0.10 0.00 0.41 4.64 0.11 0.13 113.55 117.55 3g61 h SER 729 Ca -0.09 0.26 0.00 0.00 -0.47 0.00 0.00 61.79 61.49 3g61 h SER 729 Cb 0.71 0.38 0.00 0.00 -0.31 0.00 0.00 62.40 63.17 3g61 h SER 729 CO 0.15 -0.36 0.00 1.17 -0.87 0.00 0.00 176.83 176.91 3g61 n LYS 730 N -5.37 0.00 0.00 4.77 3.00 0.87 -1.53 118.16 119.91 3g61 n LYS 730 Ca 0.29 0.36 0.00 0.00 -0.00 0.00 0.00 58.31 58.96 3g61 n LYS 730 Cb 0.96 -1.33 0.00 0.00 0.00 0.00 0.00 35.03 34.67 3g61 n LYS 730 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 177.40 177.68 3g61 n VAL 731 N -1.58 0.00 -0.34 3.15 0.31 0.35 0.23 118.33 120.44 3g61 n VAL 731 Ca 0.00 0.61 0.21 0.00 -0.01 0.00 0.00 64.34 65.15 3g61 n VAL 731 Cb 0.00 -0.86 0.45 0.00 -0.91 0.00 0.00 33.84 32.53 3g61 n VAL 731 CO 0.00 0.00 0.00 -0.37 -1.32 0.00 0.00 176.83 175.14 3g61 h VAL 732 N 0.00 0.50 0.00 2.52 -1.51 -1.43 -1.92 116.25 114.40 3g61 h VAL 732 Ca 0.00 -0.16 0.00 0.00 -1.23 0.00 0.00 66.70 65.31 3g61 h VAL 732 Cb 0.00 -0.01 0.00 0.00 -2.13 0.00 0.00 31.29 29.15 3g61 h VAL 732 CO 0.00 0.09 0.00 0.61 -1.23 0.00 0.00 177.57 177.04 3g61 n GLY 733 N -1.39 -2.82 0.32 5.19 0.00 0.61 -0.91 105.19 106.20 3g61 n GLY 733 Ca 0.27 0.15 0.17 0.00 0.00 0.00 0.00 46.02 46.60 3g61 n GLY 733 CO 0.00 0.00 0.00 -0.24 0.00 0.00 0.00 173.32 173.08 3g61 h VAL 734 N 0.00 0.36 -0.01 1.61 3.04 -0.91 -0.32 116.25 120.02 3g61 h VAL 734 Ca 0.00 -0.11 -0.00 0.00 -1.01 0.00 0.00 66.70 65.58 3g61 h VAL 734 Cb 0.00 0.02 -0.00 0.00 -2.01 0.00 0.00 31.29 29.30 3g61 h VAL 734 CO 0.00 0.06 0.01 0.15 -1.01 0.00 0.00 177.57 176.77 3g61 h PHE 735 N 0.32 0.02 0.00 3.17 3.04 -1.25 -3.18 116.94 119.06 3g61 h PHE 735 Ca 0.62 -0.00 0.00 0.00 3.98 0.00 0.00 57.97 62.57 3g61 h PHE 735 Cb 1.28 -0.01 0.00 0.00 2.56 0.00 0.00 35.95 39.78 3g61 h PHE 735 CO -0.14 0.14 0.00 1.79 -2.02 0.00 0.00 178.31 178.09 3g61 h THR 736 N -0.11 0.00 -1.70 4.41 1.35 0.53 -3.42 112.91 113.97 3g61 h THR 736 Ca 0.01 -0.71 -0.22 0.00 -0.55 0.00 0.00 66.41 64.94 3g61 h THR 736 Cb 0.13 1.68 -0.28 0.00 -1.73 0.00 0.00 68.15 67.95 3g61 h THR 736 CO -0.00 0.00 -0.57 0.54 -0.25 0.00 0.00 175.52 175.24 3g61 s ASN 737 N -5.43 0.41 0.00 5.36 4.22 -0.29 -4.34 114.94 114.86 3g61 s ASN 737 Ca 0.07 -0.75 0.00 0.00 -2.14 0.00 0.00 52.86 50.05 3g61 s ASN 737 Cb 0.08 1.05 0.00 0.00 1.28 0.00 0.00 41.25 43.66 3g61 s ASN 737 CO 0.61 -0.31 0.00 0.61 -2.04 0.00 0.00 177.10 175.97 3g61 n GLY 738 N 4.97 -0.65 3.74 0.45 0.00 -1.24 -4.53 105.19 107.92 3g61 n GLY 738 Ca 0.04 -0.50 -0.40 0.00 0.00 0.00 0.00 46.02 45.16 3g61 n GLY 738 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 3g61 s GLY 739 N 0.00 2.77 0.40 -0.02 0.00 -1.26 -5.00 107.32 104.21 3g61 s GLY 739 Ca 0.00 0.27 0.12 0.00 0.00 0.00 0.00 44.72 45.12 3g61 s GLY 739 CO 0.00 1.16 1.93 -0.56 0.00 0.00 0.00 173.10 175.63 3g61 h PRO 740 N 5.99 0.51 -6.45 2.90 0.13 -1.99 -3.39 132.00 129.69 3g61 h PRO 740 Ca -0.43 -0.03 -0.54 0.00 -0.87 0.00 0.00 66.00 64.13 3g61 h PRO 740 Cb 1.20 -0.11 -0.03 0.00 0.13 0.00 0.00 31.00 32.19 3g61 h PRO 740 CO 0.72 0.33 -0.08 -1.25 -0.23 0.00 0.00 178.00 177.50 3g61 s PRO 741 N -5.50 3.87 -0.21 1.56 0.04 -1.26 -3.73 135.00 129.77 3g61 s PRO 741 Ca -0.09 0.38 0.00 0.00 0.04 0.00 0.00 61.00 61.33 3g61 s PRO 741 Cb 0.21 -2.68 0.00 0.00 0.04 0.00 0.00 34.50 32.07 3g61 s PRO 741 CO 0.77 0.33 0.00 0.39 0.04 0.00 0.00 177.00 178.53 3g61 n GLU 742 N 0.03 -0.50 0.24 4.56 -0.58 -1.26 -4.84 120.64 118.28 3g61 n GLU 742 Ca -0.00 0.33 0.07 0.00 -0.42 0.00 0.00 57.16 57.13 3g61 n GLU 742 Cb 0.52 -3.85 0.58 0.00 -0.57 0.00 0.00 31.44 28.12 3g61 n GLU 742 CO 0.00 0.00 0.00 1.79 -0.48 0.00 0.00 177.13 178.44 3g61 h THR 743 N 0.00 1.03 0.06 2.62 1.35 -1.76 0.45 112.91 116.66 3g61 h THR 743 Ca -0.04 -0.39 -0.00 0.00 -0.55 0.00 0.00 66.41 65.43 3g61 h THR 743 Cb 0.31 1.21 0.00 0.00 -1.73 0.00 0.00 68.15 67.94 3g61 h THR 743 CO 0.06 0.11 -0.03 -0.61 -0.25 0.00 0.00 175.52 174.80 3g61 h GLN 744 N 0.00 -0.08 0.00 4.72 5.75 -1.88 -1.61 115.11 122.01 3g61 h GLN 744 Ca -0.00 0.01 -0.09 0.00 -0.15 0.00 0.00 58.65 58.42 3g61 h GLN 744 Cb 0.20 0.02 -0.01 0.00 1.07 0.00 0.00 27.48 28.76 3g61 h GLN 744 CO 0.01 0.29 -0.41 -0.09 -2.65 0.00 0.00 178.83 175.99 3g61 h ARG 745 N -0.46 0.00 0.66 1.69 9.65 -1.88 0.89 114.38 124.93 3g61 h ARG 745 Ca -0.01 0.00 -0.03 0.00 -1.10 0.00 0.00 59.98 58.84 3g61 h ARG 745 Cb 0.41 0.00 0.01 0.00 -1.39 0.00 0.00 29.97 28.99 3g61 h ARG 745 CO 0.01 0.41 -0.32 1.96 2.80 0.00 0.00 179.97 184.83 3g61 h GLN 746 N 0.00 -0.86 0.00 0.20 1.08 -0.84 -1.29 115.11 113.40 3g61 h GLN 746 Ca -0.00 0.06 0.00 0.00 -1.45 0.00 0.00 58.65 57.25 3g61 h GLN 746 Cb 0.79 0.19 0.00 0.00 -0.05 0.00 0.00 27.48 28.41 3g61 h GLN 746 CO 0.05 -0.53 0.00 0.09 -0.95 0.00 0.00 178.83 177.49 3g61 n ASN 747 N -5.41 0.00 -0.34 1.46 4.13 -0.61 -1.16 115.26 113.32 3g61 n ASN 747 Ca -0.13 0.80 0.29 0.00 1.68 0.00 0.00 54.58 57.23 3g61 n ASN 747 Cb 0.37 -0.30 0.49 0.00 -1.54 0.00 0.00 39.78 38.80 3g61 n ASN 747 CO 0.00 0.00 0.00 -0.24 0.28 0.00 0.00 177.26 177.30 3g61 n SER 748 N -1.59 0.15 0.00 6.41 2.88 0.30 -0.18 113.62 121.60 3g61 n SER 748 Ca 0.00 1.01 0.00 0.00 -1.33 0.00 0.00 58.87 58.55 3g61 n SER 748 Cb 0.00 -0.50 0.00 0.00 -0.75 0.00 0.00 64.21 62.96 3g61 n SER 748 CO 0.00 0.00 0.00 -3.20 -1.23 0.00 0.00 175.04 170.61 3g61 n ASN 749 N -4.14 0.00 -0.23 -3.46 4.05 -0.49 -1.79 115.26 109.20 3g61 n ASN 749 Ca 0.29 0.13 0.06 0.00 0.45 0.00 0.00 54.58 55.51 3g61 n ASN 749 Cb 1.14 -0.03 0.12 0.00 1.23 0.00 0.00 39.78 42.25 3g61 n ASN 749 CO 0.00 0.00 0.00 0.18 -3.05 0.00 0.00 177.26 174.39 3g61 n LEU 750 N -0.58 -0.18 0.21 1.20 4.77 -0.31 0.15 117.00 122.26 3g61 n LEU 750 Ca 0.00 1.11 -0.13 0.00 -0.03 0.00 0.00 56.01 56.95 3g61 n LEU 750 Cb 0.00 -0.36 -0.07 0.00 -2.33 0.00 0.00 43.42 40.66 3g61 n LEU 750 CO 0.00 -1.08 0.52 0.15 -1.33 0.00 0.00 177.39 175.64 3g61 h PHE 751 N 0.00 -1.05 -1.00 -1.77 3.04 -0.70 0.99 116.94 116.45 3g61 h PHE 751 Ca 0.34 0.01 0.13 0.00 3.98 0.00 0.00 57.97 62.43 3g61 h PHE 751 Cb 0.58 0.41 -0.09 0.00 2.56 0.00 0.00 35.95 39.42 3g61 h PHE 751 CO -0.44 -0.50 0.62 1.03 -2.02 0.00 0.00 178.31 177.00 3g61 h SER 752 N -0.74 0.90 0.00 0.41 0.87 0.19 0.48 113.55 115.66 3g61 h SER 752 Ca -0.05 0.06 0.00 0.00 -1.23 0.00 0.00 61.79 60.57 3g61 h SER 752 Cb 0.65 -0.12 0.00 0.00 -0.44 0.00 0.00 62.40 62.48 3g61 h SER 752 CO -0.05 0.46 0.00 -0.11 -0.53 0.00 0.00 176.83 176.59 3g61 n LEU 753 N -4.65 0.00 -0.28 2.23 7.94 0.39 -0.57 117.00 122.06 3g61 n LEU 753 Ca 0.19 0.85 0.09 0.00 -1.11 0.00 0.00 56.01 56.03 3g61 n LEU 753 Cb 0.38 -0.35 0.18 0.00 0.53 0.00 0.00 43.42 44.16 3g61 n LEU 753 CO 0.26 -0.35 0.59 -0.11 -1.11 0.00 0.00 177.39 176.67 3g61 n LEU 754 N -1.95 -0.18 0.00 -1.96 0.00 0.33 0.42 117.00 113.66 3g61 n LEU 754 Ca 0.00 1.37 0.00 0.00 0.00 0.00 0.00 56.01 57.38 3g61 n LEU 754 Cb 0.00 -0.46 0.00 0.00 0.00 0.00 0.00 43.42 42.96 3g61 n LEU 754 CO 0.00 -1.35 0.00 0.33 0.00 0.00 0.00 177.39 176.37 3g61 n PHE 755 N -5.21 0.00 -0.21 1.96 -0.00 0.09 -1.49 117.46 112.60 3g61 n PHE 755 Ca 0.16 0.00 0.04 0.00 -0.00 0.00 0.00 57.45 57.65 3g61 n PHE 755 Cb 0.52 0.00 0.09 0.00 -0.00 0.00 0.00 39.48 40.09 3g61 n PHE 755 CO 0.00 0.00 0.00 1.47 -0.00 0.00 0.00 176.76 178.23 3g61 n LEU 756 N 0.00 -0.20 0.00 -2.13 -0.00 0.26 -1.77 117.00 113.16 3g61 n LEU 756 Ca 0.00 1.02 0.00 0.00 -0.00 0.00 0.00 56.01 57.03 3g61 n LEU 756 Cb 0.00 -0.32 0.00 0.00 -0.00 0.00 0.00 43.42 43.10 3g61 n LEU 756 CO 0.00 -0.99 0.06 -0.38 -0.00 0.00 0.00 177.39 176.08 3g61 n ILE 757 N -4.95 0.00 0.00 1.47 2.08 0.17 -1.58 119.36 116.55 3g61 n ILE 757 Ca 0.10 0.62 0.00 0.00 0.56 0.00 0.00 62.75 64.03 3g61 n ILE 757 Cb 0.32 -1.42 0.00 0.00 -0.75 0.00 0.00 39.64 37.79 3g61 n ILE 757 CO 0.00 0.00 0.00 -0.11 0.56 0.00 0.00 176.55 177.00 3g61 n LEU 758 N -0.17 0.00 0.00 1.39 7.94 -0.56 -1.00 117.00 124.61 3g61 n LEU 758 Ca 0.00 0.66 0.00 0.00 -1.11 0.00 0.00 56.01 55.56 3g61 n LEU 758 Cb 0.00 -0.16 0.00 0.00 0.53 0.00 0.00 43.42 43.79 3g61 n LEU 758 CO 0.00 -0.16 0.23 0.61 -1.11 0.00 0.00 177.39 176.96 3g61 n GLY 759 N -0.97 -2.16 0.17 -3.96 0.00 -0.73 0.82 105.19 98.35 3g61 n GLY 759 Ca 0.00 0.44 -0.06 0.00 0.00 0.00 0.00 46.02 46.40 3g61 n GLY 759 CO 0.00 0.00 0.00 -2.22 0.00 0.00 0.00 173.32 171.10 3g61 h ILE 760 N 0.00 0.00 -1.08 -0.61 1.08 -1.25 -0.24 117.51 115.41 3g61 h ILE 760 Ca 0.00 0.00 0.34 0.00 -0.39 0.00 0.00 64.86 64.81 3g61 h ILE 760 Cb 0.00 0.00 -0.14 0.00 -3.07 0.00 0.00 36.82 33.61 3g61 h ILE 760 CO 0.00 0.00 0.65 0.40 -0.69 0.00 0.00 178.15 178.51 3g61 h ILE 761 N -0.27 0.30 0.00 -0.67 2.04 -0.78 -1.53 117.51 116.59 3g61 h ILE 761 Ca -0.01 -0.10 0.00 0.00 1.00 0.00 0.00 64.86 65.76 3g61 h ILE 761 Cb 0.27 -0.01 0.00 0.00 -0.74 0.00 0.00 36.82 36.34 3g61 h ILE 761 CO -0.08 0.05 0.00 -0.24 0.00 0.00 0.00 178.15 177.88 3g61 n SER 762 N -4.90 0.00 -0.21 1.72 2.88 0.24 -0.11 113.62 113.24 3g61 n SER 762 Ca 0.32 0.70 0.15 0.00 -1.33 0.00 0.00 58.87 58.71 3g61 n SER 762 Cb 1.06 -0.45 0.29 0.00 -0.75 0.00 0.00 64.21 64.36 3g61 n SER 762 CO 0.00 0.00 0.00 0.33 -1.23 0.00 0.00 175.04 174.14 3g61 n PHE 763 N -1.84 0.58 0.02 0.66 -0.00 -0.16 0.97 117.46 117.69 3g61 n PHE 763 Ca 0.00 0.75 -0.09 0.00 -0.00 0.00 0.00 57.45 58.11 3g61 n PHE 763 Cb 0.00 -1.08 -0.07 0.00 -0.00 0.00 0.00 39.48 38.33 3g61 n PHE 763 CO 0.00 0.00 0.00 0.82 -0.00 0.00 0.00 176.76 177.58 3g61 h ILE 764 N 0.00 0.77 -0.42 -2.13 1.08 -1.32 -1.83 117.51 113.66 3g61 h ILE 764 Ca 0.46 -1.29 0.08 0.00 -0.39 0.00 0.00 64.86 63.73 3g61 h ILE 764 Cb 1.12 1.36 -0.09 0.00 -3.07 0.00 0.00 36.82 36.14 3g61 h ILE 764 CO -0.53 0.23 -0.28 0.00 -0.69 0.00 0.00 178.15 176.87 3g61 h THR 765 N -0.94 0.28 0.00 -0.27 1.03 0.41 -1.35 112.91 112.08 3g61 h THR 765 Ca -0.02 0.00 0.00 0.00 -0.01 0.00 0.00 66.41 66.38 3g61 h THR 765 Cb 0.49 0.28 0.00 0.00 -1.07 0.00 0.00 68.15 67.85 3g61 h THR 765 CO 0.03 0.00 0.00 0.49 -0.01 0.00 0.00 175.52 176.03 3g61 n PHE 766 N -5.41 0.00 -0.22 0.00 3.01 0.17 -1.69 117.46 113.31 3g61 n PHE 766 Ca 0.02 0.00 -0.00 0.00 1.01 0.00 0.00 57.45 58.48 3g61 n PHE 766 Cb 0.33 -0.10 0.03 0.00 -0.01 0.00 0.00 39.48 39.73 3g61 n PHE 766 CO 0.00 0.00 0.00 0.34 1.01 0.00 0.00 176.76 178.11 3g61 n PHE 767 N -0.84 0.04 0.22 1.38 7.35 -0.69 0.99 117.46 125.91 3g61 n PHE 767 Ca 0.00 0.72 -0.15 0.00 -0.76 0.00 0.00 57.45 57.26 3g61 n PHE 767 Cb 0.00 -0.73 -0.08 0.00 0.35 0.00 0.00 39.48 39.02 3g61 n PHE 767 CO 0.00 0.00 0.00 1.37 -0.76 0.00 0.00 176.76 177.37 3g61 h LEU 768 N 0.00 -0.49 -0.62 -2.13 8.10 -1.31 -1.44 115.31 117.42 3g61 h LEU 768 Ca 0.21 0.03 0.06 0.00 0.11 0.00 0.00 57.88 58.28 3g61 h LEU 768 Cb 0.36 0.14 -0.05 0.00 -0.44 0.00 0.00 40.66 40.66 3g61 h LEU 768 CO -0.58 -0.33 0.33 0.06 -4.11 0.00 0.00 178.44 173.82 3g61 h GLN 769 N -0.52 0.60 -0.69 0.17 3.07 0.15 -1.84 115.11 116.06 3g61 h GLN 769 Ca -0.04 -0.04 0.11 0.00 0.09 0.00 0.00 58.65 58.78 3g61 h GLN 769 Cb 0.42 -0.14 -0.12 0.00 0.08 0.00 0.00 27.48 27.72 3g61 h GLN 769 CO 0.06 0.40 -0.36 0.78 0.09 0.00 0.00 178.83 179.80 3g61 h GLY 770 N 0.62 -0.11 0.95 0.06 0.00 0.73 -0.35 103.07 104.97 3g61 h GLY 770 Ca 0.28 0.47 -0.00 0.00 0.00 0.00 0.00 47.33 48.08 3g61 h GLY 770 CO -0.18 -0.20 0.10 -2.75 0.00 0.00 0.00 176.54 173.51 3g61 h PHE 771 N -0.13 0.23 0.00 5.60 -0.00 -0.71 -1.08 116.94 120.86 3g61 h PHE 771 Ca 0.25 -0.00 0.00 0.00 -0.00 0.00 0.00 57.97 58.22 3g61 h PHE 771 Cb 0.56 -0.07 0.00 0.00 -0.00 0.00 0.00 35.95 36.44 3g61 h PHE 771 CO -0.70 0.21 0.00 0.25 -0.00 0.00 0.00 178.31 178.07 3g61 n THR 772 N -4.93 0.00 -0.42 4.41 -2.24 -0.36 -1.76 114.28 108.98 3g61 n THR 772 Ca -0.04 0.84 0.35 0.00 -2.27 0.00 0.00 64.05 62.93 3g61 n THR 772 Cb 0.06 -1.71 0.64 0.00 -2.10 0.00 0.00 70.33 67.23 3g61 n THR 772 CO 0.00 0.00 0.00 2.19 -0.57 0.00 0.00 175.07 176.69 3g61 h PHE 773 N 0.00 0.44 0.46 4.78 -5.15 -1.28 0.43 116.94 116.61 3g61 h PHE 773 Ca 0.00 0.02 -0.01 0.00 -0.20 0.00 0.00 57.97 57.78 3g61 h PHE 773 Cb 0.00 -0.11 -0.02 0.00 0.22 0.00 0.00 35.95 36.04 3g61 h PHE 773 CO 0.00 -0.09 -0.38 0.78 -2.00 0.00 0.00 178.31 176.62 3g61 h GLY 774 N 0.14 -0.95 -0.28 6.09 0.00 -1.19 -1.11 103.07 105.78 3g61 h GLY 774 Ca 0.74 0.44 0.18 0.00 0.00 0.00 0.00 47.33 48.69 3g61 h GLY 774 CO -0.29 -0.33 0.12 0.50 0.00 0.00 0.00 176.54 176.54 3g61 h LYS 775 N -0.84 0.18 -0.36 4.80 1.57 0.68 0.31 116.57 122.91 3g61 h LYS 775 Ca -0.05 -0.01 0.04 0.00 -1.87 0.00 0.00 60.65 58.76 3g61 h LYS 775 Cb 0.73 -0.04 -0.06 0.00 0.08 0.00 0.00 32.23 32.93 3g61 h LYS 775 CO -0.02 0.12 -0.38 0.00 -0.57 0.00 0.00 179.45 178.60 3g61 h ALA 776 N 1.69 -0.58 -1.13 3.86 0.00 -0.60 0.59 119.26 123.10 3g61 h ALA 776 Ca 0.45 0.01 0.32 0.00 0.00 0.00 0.00 54.91 55.69 3g61 h ALA 776 Cb 0.81 1.05 -0.10 0.00 0.00 0.00 0.00 17.79 19.55 3g61 h ALA 776 CO -0.61 -0.78 0.73 0.78 0.00 0.00 0.00 179.25 179.37 3g61 h GLY 777 N -0.22 1.17 0.00 0.00 0.00 0.62 0.32 103.07 104.96 3g61 h GLY 777 Ca 0.06 -0.17 0.00 0.00 0.00 0.00 0.00 47.33 47.22 3g61 h GLY 777 CO -0.45 -0.20 0.00 1.18 0.00 0.00 0.00 176.54 177.06 3g61 n GLU 778 N -4.62 0.00 -0.25 4.80 1.02 0.20 -1.63 120.64 120.15 3g61 n GLU 778 Ca 0.29 0.00 0.07 0.00 -0.02 0.00 0.00 57.16 57.50 3g61 n GLU 778 Cb 1.05 -0.55 0.15 0.00 -0.02 0.00 0.00 31.44 32.07 3g61 n GLU 778 CO 0.00 0.00 0.00 0.44 1.18 0.00 0.00 177.13 178.75 3g61 n ILE 779 N -0.19 -0.30 0.03 -3.67 -5.35 -0.56 0.24 119.36 109.56 3g61 n ILE 779 Ca 0.00 1.59 -0.06 0.00 -0.27 0.00 0.00 62.75 64.01 3g61 n ILE 779 Cb 0.00 -2.25 -0.04 0.00 -1.74 0.00 0.00 39.64 35.61 3g61 n ILE 779 CO 0.00 0.00 0.00 -0.07 -1.76 0.00 0.00 176.55 174.72 3g61 h LEU 780 N 0.00 -0.58 -0.53 7.28 3.38 -1.02 0.51 115.31 124.35 3g61 h LEU 780 Ca 0.38 0.06 0.10 0.00 0.09 0.00 0.00 57.88 58.51 3g61 h LEU 780 Cb 0.68 0.22 -0.11 0.00 0.09 0.00 0.00 40.66 41.54 3g61 h LEU 780 CO -0.70 -0.19 -0.34 0.74 0.09 0.00 0.00 178.44 178.03 3g61 h THR 781 N -0.25 0.18 0.00 0.22 2.02 0.76 0.67 112.91 116.50 3g61 h THR 781 Ca 0.00 0.00 0.00 0.00 0.77 0.00 0.00 66.41 67.18 3g61 h THR 781 Cb 0.26 0.18 0.00 0.00 -1.74 0.00 0.00 68.15 66.85 3g61 h THR 781 CO -0.12 0.00 0.00 0.29 0.37 0.00 0.00 175.52 176.06 3g61 n LYS 782 N -5.43 0.00 -0.24 6.66 5.02 -0.52 -0.89 118.16 122.76 3g61 n LYS 782 Ca 0.03 0.48 -0.08 0.00 -2.02 0.00 0.00 58.31 56.72 3g61 n LYS 782 Cb 0.35 -1.45 -0.03 0.00 -0.02 0.00 0.00 35.03 33.88 3g61 n LYS 782 CO 0.00 0.00 0.00 -0.09 -0.52 0.00 0.00 177.40 176.79 3g61 h ARG 783 N 0.00 -0.18 -0.14 1.97 2.43 0.08 -1.33 114.38 117.21 3g61 h ARG 783 Ca 0.00 0.01 0.01 0.00 -0.81 0.00 0.00 59.98 59.20 3g61 h ARG 783 Cb 0.00 0.04 -0.02 0.00 -0.42 0.00 0.00 29.97 29.57 3g61 h ARG 783 CO 0.00 -0.12 -0.09 -0.07 -1.51 0.00 0.00 179.97 178.18 3g61 h LEU 784 N -0.19 -0.32 -0.67 3.80 -0.00 0.42 -0.74 115.31 117.62 3g61 h LEU 784 Ca 0.20 0.05 0.06 0.00 -0.00 0.00 0.00 57.88 58.19 3g61 h LEU 784 Cb 0.56 0.14 -0.09 0.00 -0.00 0.00 0.00 40.66 41.27 3g61 h LEU 784 CO -0.74 -0.04 -0.46 0.03 -0.00 0.00 0.00 178.44 177.23 3g61 h ARG 785 N -0.00 -0.08 0.00 1.13 3.08 0.04 -0.39 114.38 118.15 3g61 h ARG 785 Ca 0.02 0.01 0.00 0.00 0.07 0.00 0.00 59.98 60.08 3g61 h ARG 785 Cb 0.06 0.02 0.00 0.00 0.08 0.00 0.00 29.97 30.13 3g61 h ARG 785 CO -0.13 -0.06 0.00 0.98 -1.07 0.00 0.00 179.97 179.69 3g61 n TYR 786 N -4.79 0.00 -0.27 3.04 -0.00 -0.41 -0.58 117.16 114.14 3g61 n TYR 786 Ca 0.00 0.00 -0.07 0.00 -0.00 0.00 0.00 57.90 57.83 3g61 n TYR 786 Cb 0.22 -0.21 -0.06 0.00 -0.00 0.00 0.00 39.34 39.29 3g61 n TYR 786 CO 0.00 0.00 0.00 -1.33 -0.00 0.00 0.00 176.86 175.53 3g61 n MET 787 N -1.86 -0.28 0.00 2.98 2.81 -0.46 -1.29 117.12 119.02 3g61 n MET 787 Ca 0.00 1.20 0.00 0.00 -1.81 0.00 0.00 57.70 57.09 3g61 n MET 787 Cb 0.00 -1.77 0.00 0.00 -0.71 0.00 0.00 33.22 30.74 3g61 n MET 787 CO 0.00 0.00 0.00 0.28 1.51 0.00 0.00 175.97 177.76 3g61 n VAL 788 N -4.50 0.00 -0.21 2.03 0.31 -0.24 -0.28 118.33 115.45 3g61 n VAL 788 Ca 0.01 1.00 0.04 0.00 -0.01 0.00 0.00 64.34 65.38 3g61 n VAL 788 Cb 0.17 -1.58 0.10 0.00 -0.91 0.00 0.00 33.84 31.61 3g61 n VAL 788 CO 0.00 0.00 0.00 0.33 -1.32 0.00 0.00 176.83 175.84 3g61 n PHE 789 N -0.91 0.24 0.14 3.52 -0.00 0.25 0.29 117.46 120.98 3g61 n PHE 789 Ca 0.00 0.70 -0.13 0.00 -0.00 0.00 0.00 57.45 58.02 3g61 n PHE 789 Cb 0.00 -0.85 -0.06 0.00 -0.00 0.00 0.00 39.48 38.57 3g61 n PHE 789 CO 0.00 0.00 0.00 0.87 -0.00 0.00 0.00 176.76 177.63 3g61 h LYS 790 N 0.00 -0.49 -1.40 -4.13 1.79 0.01 0.27 116.57 112.62 3g61 h LYS 790 Ca 0.29 0.03 0.43 0.00 -2.18 0.00 0.00 60.65 59.22 3g61 h LYS 790 Cb 0.47 0.11 -0.10 0.00 -1.58 0.00 0.00 32.23 31.14 3g61 h LYS 790 CO -0.58 -0.33 0.95 0.77 -1.08 0.00 0.00 179.45 179.18 3g61 h SER 791 N -0.51 0.17 0.01 0.86 0.02 0.74 1.36 113.55 116.21 3g61 h SER 791 Ca 0.02 0.07 -0.00 0.00 -0.84 0.00 0.00 61.79 61.04 3g61 h SER 791 Cb 0.51 0.06 0.00 0.00 0.14 0.00 0.00 62.40 63.11 3g61 h SER 791 CO -0.12 -0.07 -0.01 0.24 -1.14 0.00 0.00 176.83 175.74 3g61 h MET 792 N 0.09 -0.02 0.00 3.45 2.86 0.51 -1.41 114.93 120.41 3g61 h MET 792 Ca 0.77 0.00 0.00 0.00 -2.06 0.00 0.00 59.70 58.41 3g61 h MET 792 Cb 2.64 0.00 0.00 0.00 0.06 0.00 0.00 31.60 34.30 3g61 h MET 792 CO -0.23 0.63 0.00 -0.11 1.06 0.00 0.00 176.91 178.25 3g61 n LEU 793 N -4.78 0.00 0.00 1.22 -0.00 0.44 0.80 117.00 114.68 3g61 n LEU 793 Ca -0.09 0.83 0.00 0.00 -0.00 0.00 0.00 56.01 56.76 3g61 n LEU 793 Cb 0.32 -0.33 0.00 0.00 -0.00 0.00 0.00 43.42 43.41 3g61 n LEU 793 CO 0.33 -0.33 0.03 0.54 -0.00 0.00 0.00 177.39 177.95 3g61 n ARG 794 N -2.07 0.02 -4.18 1.96 1.74 0.61 -4.50 116.66 110.23 3g61 n ARG 794 Ca 0.00 0.00 -0.29 0.00 -0.77 0.00 0.00 57.85 56.79 3g61 n ARG 794 Cb 0.00 -1.04 -0.09 0.00 -1.02 0.00 0.00 32.46 30.31 3g61 n ARG 794 CO 0.00 0.00 0.00 -0.65 -1.52 0.00 0.00 177.63 175.46 3g61 s GLN 795 N -2.00 2.33 0.00 5.56 -1.52 0.24 -4.46 119.66 119.81 3g61 s GLN 795 Ca 0.00 -0.97 0.00 0.00 -1.95 0.00 0.00 55.36 52.44 3g61 s GLN 795 Cb 0.00 -2.40 0.00 0.00 -0.22 0.00 0.00 33.01 30.39 3g61 s GLN 795 CO 0.00 0.51 0.00 -0.40 -0.25 0.00 0.00 175.29 175.15 3g61 n ASP 796 N 0.51 0.00 0.00 5.90 5.75 -1.26 -4.85 116.55 122.59 3g61 n ASP 796 Ca -0.12 0.00 0.00 0.00 -0.01 0.00 0.00 54.79 54.66 3g61 n ASP 796 Cb 0.53 0.00 0.00 0.00 -1.03 0.00 0.00 41.12 40.62 3g61 n ASP 796 CO 0.00 0.00 0.00 0.52 -0.11 0.00 0.00 177.20 177.61 3g61 n VAL 797 N 3.24 0.00 0.03 2.12 0.31 -1.26 -3.97 118.33 118.79 3g61 n VAL 797 Ca 0.00 0.00 0.22 0.00 -0.01 0.00 0.00 64.34 64.55 3g61 n VAL 797 Cb 0.00 0.00 0.69 0.00 -0.91 0.00 0.00 33.84 33.62 3g61 n VAL 797 CO 0.00 0.00 0.00 0.28 -1.32 0.00 0.00 176.83 175.79 3g61 h SER 798 N 8.34 0.00 0.00 4.52 0.02 -1.91 -2.18 113.55 122.34 3g61 h SER 798 Ca 0.00 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 60.95 3g61 h SER 798 Cb 0.00 0.00 0.00 0.00 0.14 0.00 0.00 62.40 62.54 3g61 h SER 798 CO 0.00 0.00 0.00 1.87 -1.14 0.00 0.00 176.83 177.56 3g61 n TRP 799 N -3.63 0.00 0.06 3.45 -0.00 -1.25 -1.51 117.44 114.55 3g61 n TRP 799 Ca 0.11 0.00 -0.04 0.00 -0.00 0.00 0.00 57.50 57.56 3g61 n TRP 799 Cb 0.80 0.00 -0.09 0.00 -0.00 0.00 0.00 31.31 32.03 3g61 n TRP 799 CO 0.00 0.00 0.00 0.74 -0.00 0.00 0.00 177.69 178.43 3g61 h PHE 800 N 0.00 0.00 -0.76 5.87 0.04 -1.87 0.04 116.94 120.26 3g61 h PHE 800 Ca 0.00 0.00 0.04 0.00 2.80 0.00 0.00 57.97 60.81 3g61 h PHE 800 Cb 0.00 0.00 -0.04 0.00 2.20 0.00 0.00 35.95 38.11 3g61 h PHE 800 CO 0.00 0.84 0.50 -0.44 -0.60 0.00 0.00 178.31 178.61 3g61 h ASP 801 N 0.00 0.78 -2.05 2.17 5.19 -1.51 -3.22 116.42 117.78 3g61 h ASP 801 Ca -0.07 -0.01 -0.54 0.00 -0.62 0.00 0.00 57.03 55.80 3g61 h ASP 801 Cb 1.70 -0.18 -0.36 0.00 0.18 0.00 0.00 39.33 40.67 3g61 h ASP 801 CO 0.10 0.53 -0.98 -0.67 -3.12 0.00 0.00 179.24 175.10 3g61 n ASP 802 N -4.46 -0.52 -4.92 6.45 2.03 -0.57 -5.02 116.55 109.54 3g61 n ASP 802 Ca 0.10 -2.56 -0.29 0.00 0.52 0.00 0.00 54.79 52.57 3g61 n ASP 802 Cb 0.14 -0.35 -0.04 0.00 -0.72 0.00 0.00 41.12 40.16 3g61 n ASP 802 CO 0.00 0.00 0.00 -2.16 -1.92 0.00 0.00 177.20 173.12 3g61 s PRO 803 N -0.33 3.54 -0.13 -0.67 0.04 -0.00 -4.41 135.00 133.03 3g61 s PRO 803 Ca 0.34 -0.28 0.15 0.00 0.04 0.00 0.00 61.00 61.24 3g61 s PRO 803 Cb 0.09 -2.85 0.32 0.00 0.04 0.00 0.00 34.50 32.10 3g61 s PRO 803 CO -0.16 0.42 1.16 0.36 0.04 0.00 0.00 177.00 178.83 3g61 n LYS 804 N -0.44 1.13 -3.56 4.56 0.00 -1.26 -4.87 118.16 113.72 3g61 n LYS 804 Ca -0.04 -2.62 -0.28 0.00 -0.00 0.00 0.00 58.31 55.37 3g61 n LYS 804 Cb 0.53 -1.29 -0.11 0.00 -0.00 0.00 0.00 35.03 34.16 3g61 n LYS 804 CO 0.00 0.00 0.00 -0.80 0.00 0.00 0.00 177.40 176.60 3g61 s ASN 805 N -2.72 2.73 1.10 -5.58 0.01 -1.26 -4.99 114.94 104.23 3g61 s ASN 805 Ca 0.31 -2.96 -0.18 0.00 -0.71 0.00 0.00 52.86 49.31 3g61 s ASN 805 Cb 0.29 -0.76 0.12 0.00 0.41 0.00 0.00 41.25 41.32 3g61 s ASN 805 CO -0.03 -0.20 0.06 1.07 -1.51 0.00 0.00 177.10 176.49 3g61 n THR 806 N 3.04 0.00 0.24 1.60 5.66 -1.26 -4.69 114.28 118.88 3g61 n THR 806 Ca 0.21 -0.19 0.11 0.00 -3.05 0.00 0.00 64.05 61.13 3g61 n THR 806 Cb 0.41 -0.56 0.61 0.00 -1.55 0.00 0.00 70.33 69.25 3g61 n THR 806 CO 0.00 0.00 0.00 0.74 -3.05 0.00 0.00 175.07 172.76 3g61 h THR 807 N -2.29 0.56 0.06 1.09 2.02 -1.98 -2.04 112.91 110.32 3g61 h THR 807 Ca -0.43 -0.80 -0.00 0.00 0.77 0.00 0.00 66.41 65.94 3g61 h THR 807 Cb 1.18 1.53 0.00 0.00 -1.74 0.00 0.00 68.15 69.12 3g61 h THR 807 CO 0.30 0.17 -0.03 1.23 0.37 0.00 0.00 175.52 177.56 3g61 h GLY 808 N 1.38 -0.08 0.06 2.16 0.00 -1.99 -1.46 103.07 103.14 3g61 h GLY 808 Ca -0.00 0.03 0.24 0.00 0.00 0.00 0.00 47.33 47.60 3g61 h GLY 808 CO 0.02 -0.03 0.65 0.00 0.00 0.00 0.00 176.54 177.18 3g61 h ALA 809 N -0.94 2.34 -0.18 3.60 0.00 -1.90 0.12 119.26 122.29 3g61 h ALA 809 Ca -0.01 0.03 0.00 0.00 0.00 0.00 0.00 54.91 54.93 3g61 h ALA 809 Cb 0.13 0.01 0.00 0.00 0.00 0.00 0.00 17.79 17.93 3g61 h ALA 809 CO 0.01 -0.67 0.00 1.28 0.00 0.00 0.00 179.25 179.87 3g61 n LEU 810 N -4.51 0.07 -0.32 0.00 4.77 -0.77 -1.26 117.00 114.97 3g61 n LEU 810 Ca 0.22 0.78 0.06 0.00 -0.03 0.00 0.00 56.01 57.04 3g61 n LEU 810 Cb 0.83 -0.47 0.15 0.00 -2.33 0.00 0.00 43.42 41.60 3g61 n LEU 810 CO 0.30 -0.47 0.71 0.71 -1.33 0.00 0.00 177.39 177.31 3g61 h THR 811 N 0.00 0.10 -0.51 -5.08 1.35 -0.89 1.32 112.91 109.19 3g61 h THR 811 Ca 0.00 -0.00 0.10 0.00 -0.55 0.00 0.00 66.41 65.96 3g61 h THR 811 Cb 0.00 0.09 -0.09 0.00 -1.73 0.00 0.00 68.15 66.42 3g61 h THR 811 CO 0.00 0.00 -0.09 0.74 -0.25 0.00 0.00 175.52 175.92 3g61 h THR 812 N 0.01 0.52 -0.71 6.82 2.02 -0.83 1.02 112.91 121.76 3g61 h THR 812 Ca 0.46 -0.01 0.15 0.00 0.77 0.00 0.00 66.41 67.77 3g61 h THR 812 Cb 0.75 0.49 -0.13 0.00 -1.74 0.00 0.00 68.15 67.51 3g61 h THR 812 CO -0.91 0.01 -0.15 0.03 0.37 0.00 0.00 175.52 174.86 3g61 h ARG 813 N 0.03 0.01 0.00 6.66 2.47 0.31 -1.39 114.38 122.47 3g61 h ARG 813 Ca 0.25 -0.00 0.00 0.00 -1.26 0.00 0.00 59.98 58.97 3g61 h ARG 813 Cb 0.38 -0.00 0.00 0.00 -1.65 0.00 0.00 29.97 28.70 3g61 h ARG 813 CO -0.50 0.01 0.00 1.28 0.56 0.00 0.00 179.97 181.32 3g61 n LEU 814 N -5.45 0.00 0.00 3.04 7.99 0.35 -1.66 117.00 121.27 3g61 n LEU 814 Ca 0.10 0.56 0.00 0.00 -0.01 0.00 0.00 56.01 56.66 3g61 n LEU 814 Cb 0.38 -0.06 0.00 0.00 -0.11 0.00 0.00 43.42 43.63 3g61 n LEU 814 CO 0.02 -0.06 0.16 0.00 -1.51 0.00 0.00 177.39 176.00 3g61 n ALA 815 N -1.05 0.00 -0.30 -1.18 0.00 -0.82 -1.85 120.51 115.30 3g61 n ALA 815 Ca 0.00 0.00 0.04 0.00 0.00 0.00 0.00 53.44 53.48 3g61 n ALA 815 Cb 0.00 0.11 0.11 0.00 0.00 0.00 0.00 19.45 19.67 3g61 n ALA 815 CO 0.00 0.00 0.00 0.27 0.00 0.00 0.00 177.50 177.77 3g61 n ASN 816 N -0.56 -0.33 0.14 0.00 0.23 -0.57 -1.30 115.26 112.88 3g61 n ASN 816 Ca 0.00 1.42 0.01 0.00 -0.53 0.00 0.00 54.58 55.48 3g61 n ASN 816 Cb 0.00 -0.42 0.17 0.00 -2.08 0.00 0.00 39.78 37.45 3g61 n ASN 816 CO 0.00 0.00 0.00 0.44 -0.93 0.00 0.00 177.26 176.77 3g61 h ASP 817 N 0.00 0.00 -0.03 0.53 3.32 -1.32 -1.42 116.42 117.50 3g61 h ASP 817 Ca 0.38 0.00 -0.00 0.00 0.02 0.00 0.00 57.03 57.43 3g61 h ASP 817 Cb 0.59 0.00 -0.00 0.00 0.22 0.00 0.00 39.33 40.14 3g61 h ASP 817 CO -0.85 0.58 0.01 0.00 -1.72 0.00 0.00 179.24 177.26 3g61 h ALA 818 N 1.42 0.04 -0.76 3.45 0.00 -0.44 -2.20 119.26 120.78 3g61 h ALA 818 Ca -0.01 -0.13 0.10 0.00 0.00 0.00 0.00 54.91 54.87 3g61 h ALA 818 Cb 1.17 -0.01 -0.07 0.00 0.00 0.00 0.00 17.79 18.87 3g61 h ALA 818 CO 0.08 -0.33 0.39 0.00 0.00 0.00 0.00 179.25 179.39 3g61 h ALA 819 N 0.77 1.06 -0.49 0.00 0.00 -1.26 -2.42 119.26 116.92 3g61 h ALA 819 Ca 0.01 0.05 -0.00 0.00 0.00 0.00 0.00 54.91 54.97 3g61 h ALA 819 Cb 0.25 -0.07 -0.02 0.00 0.00 0.00 0.00 17.79 17.95 3g61 h ALA 819 CO 0.00 -0.01 0.29 1.96 0.00 0.00 0.00 179.25 181.49 3g61 h GLN 820 N 0.65 0.67 -0.74 0.00 1.08 -1.05 -1.81 115.11 113.92 3g61 h GLN 820 Ca 0.37 -0.06 -0.01 0.00 -1.45 0.00 0.00 58.65 57.50 3g61 h GLN 820 Cb 0.40 -0.14 -0.03 0.00 -0.05 0.00 0.00 27.48 27.65 3g61 h GLN 820 CO -0.27 0.50 0.42 -0.39 -0.95 0.00 0.00 178.83 178.13 3g61 h VAL 821 N 0.66 1.22 -1.04 -0.54 -1.51 -1.07 0.96 116.25 114.94 3g61 h VAL 821 Ca 0.18 -0.53 0.32 0.00 -1.23 0.00 0.00 66.70 65.43 3g61 h VAL 821 Cb 0.00 0.23 -0.14 0.00 -2.13 0.00 0.00 31.29 29.25 3g61 h VAL 821 CO -0.03 0.24 0.61 0.50 -1.23 0.00 0.00 177.57 177.66 3g61 h LYS 822 N 1.01 0.33 0.33 5.19 3.64 -0.94 0.31 116.57 126.45 3g61 h LYS 822 Ca 0.26 -0.02 -0.01 0.00 -1.27 0.00 0.00 60.65 59.61 3g61 h LYS 822 Cb 0.02 -0.07 -0.00 0.00 -0.41 0.00 0.00 32.23 31.76 3g61 h LYS 822 CO -0.04 0.22 -0.21 0.78 -2.27 0.00 0.00 179.45 177.92 3g61 h GLY 823 N 0.34 -0.77 -0.90 5.01 0.00 0.17 -2.28 103.07 104.64 3g61 h GLY 823 Ca 0.72 0.32 0.36 0.00 0.00 0.00 0.00 47.33 48.73 3g61 h GLY 823 CO -0.54 -0.26 0.42 0.00 0.00 0.00 0.00 176.54 176.15 3g61 n ALA 824 N -2.39 0.86 0.24 3.60 0.00 0.10 -1.50 120.51 121.43 3g61 n ALA 824 Ca -0.06 0.93 -0.12 0.00 0.00 0.00 0.00 53.44 54.19 3g61 n ALA 824 Cb 0.22 -0.89 -0.06 0.00 0.00 0.00 0.00 19.45 18.72 3g61 n ALA 824 CO 0.00 0.00 0.00 1.15 0.00 0.00 0.00 177.50 178.65 3g61 h THR 825 N 0.00 0.14 -0.97 0.00 2.02 -1.17 -2.44 112.91 110.49 3g61 h THR 825 Ca 0.73 -0.51 0.20 0.00 0.77 0.00 0.00 66.41 67.60 3g61 h THR 825 Cb 1.90 0.22 -0.09 0.00 -1.74 0.00 0.00 68.15 68.44 3g61 h THR 825 CO -0.72 0.03 0.61 1.23 0.37 0.00 0.00 175.52 177.05 3g61 h GLY 826 N -1.12 1.34 0.00 2.16 0.00 -0.68 -1.92 103.07 102.85 3g61 h GLY 826 Ca -0.07 -0.28 0.00 0.00 0.00 0.00 0.00 47.33 46.99 3g61 h GLY 826 CO 0.11 -0.04 0.00 -1.26 0.00 0.00 0.00 176.54 175.36 3g61 n SER 827 N -4.64 0.00 -0.22 0.19 2.88 -0.68 -0.66 113.62 110.50 3g61 n SER 827 Ca 0.22 0.93 0.13 0.00 -1.33 0.00 0.00 58.87 58.83 3g61 n SER 827 Cb 0.65 -0.49 0.26 0.00 -0.75 0.00 0.00 64.21 63.87 3g61 n SER 827 CO 0.00 0.00 0.00 0.54 -1.23 0.00 0.00 175.04 174.35 3g61 n ARG 828 N -1.98 -0.05 0.00 -1.46 5.12 -0.92 0.16 116.66 117.54 3g61 n ARG 828 Ca 0.00 0.96 -0.00 0.00 -1.93 0.00 0.00 57.85 56.88 3g61 n ARG 828 Cb 0.00 -1.59 -0.00 0.00 -1.16 0.00 0.00 32.46 29.71 3g61 n ARG 828 CO 0.00 0.00 0.00 -0.07 -1.93 0.00 0.00 177.63 175.63 3g61 h LEU 829 N 0.00 -0.01 -1.83 0.55 3.38 -0.99 -1.87 115.31 114.54 3g61 h LEU 829 Ca 0.45 0.00 0.30 0.00 0.09 0.00 0.00 57.88 58.72 3g61 h LEU 829 Cb 1.04 0.00 -0.06 0.00 0.09 0.00 0.00 40.66 41.73 3g61 h LEU 829 CO -0.58 -0.01 0.74 0.00 0.09 0.00 0.00 178.44 178.69 3g61 h ALA 830 N -1.85 2.80 -0.56 1.53 0.00 0.40 -2.04 119.26 119.54 3g61 h ALA 830 Ca -0.00 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.90 3g61 h ALA 830 Cb 0.01 0.06 0.00 0.00 0.00 0.00 0.00 17.79 17.86 3g61 h ALA 830 CO 0.00 -1.13 0.00 0.28 0.00 0.00 0.00 179.25 178.40 3g61 n VAL 831 N -4.32 0.00 -0.33 0.00 0.31 0.31 -1.65 118.33 112.64 3g61 n VAL 831 Ca 0.23 1.41 0.25 0.00 -0.01 0.00 0.00 64.34 66.22 3g61 n VAL 831 Cb 1.06 -2.39 0.49 0.00 -0.91 0.00 0.00 33.84 32.09 3g61 n VAL 831 CO 0.00 0.00 0.00 0.40 -1.32 0.00 0.00 176.83 175.91 3g61 h ILE 832 N 0.00 0.24 0.00 2.52 2.04 -0.87 -1.78 117.51 119.66 3g61 h ILE 832 Ca 0.00 -0.09 0.00 0.00 1.00 0.00 0.00 64.86 65.77 3g61 h ILE 832 Cb 0.00 -0.04 0.00 0.00 -0.74 0.00 0.00 36.82 36.04 3g61 h ILE 832 CO 0.00 0.05 0.00 0.33 0.00 0.00 0.00 178.15 178.53 3g61 n PHE 833 N -5.10 0.00 -0.33 1.37 7.35 -0.81 -1.90 117.46 118.04 3g61 n PHE 833 Ca 0.32 0.00 0.01 0.00 -0.76 0.00 0.00 57.45 57.02 3g61 n PHE 833 Cb 1.02 -0.10 0.08 0.00 0.35 0.00 0.00 39.48 40.83 3g61 n PHE 833 CO 0.00 0.00 0.00 -0.56 -0.76 0.00 0.00 176.76 175.44 3g61 h GLN 834 N 0.00 -0.02 0.00 -4.13 3.07 -0.83 0.36 115.11 113.56 3g61 h GLN 834 Ca 0.00 0.00 0.00 0.00 0.09 0.00 0.00 58.65 58.74 3g61 h GLN 834 Cb 0.00 0.01 0.00 0.00 0.08 0.00 0.00 27.48 27.57 3g61 h GLN 834 CO 0.00 -0.02 0.00 -1.71 0.09 0.00 0.00 178.83 177.19 3g61 n ASN 835 N -5.52 0.00 -0.32 0.06 5.15 -0.71 0.10 115.26 114.02 3g61 n ASN 835 Ca 0.11 0.00 0.25 0.00 -0.60 0.00 0.00 54.58 54.34 3g61 n ASN 835 Cb 0.42 0.00 0.46 0.00 -0.53 0.00 0.00 39.78 40.13 3g61 n ASN 835 CO 0.00 0.00 0.00 -0.38 1.40 0.00 0.00 177.26 178.28 3g61 n ILE 836 N 0.00 -0.41 0.00 -1.44 5.41 -0.80 0.11 119.36 122.23 3g61 n ILE 836 Ca 0.00 2.04 0.00 0.00 1.00 0.00 0.00 62.75 65.79 3g61 n ILE 836 Cb 0.00 -3.17 0.00 0.00 -0.71 0.00 0.00 39.64 35.76 3g61 n ILE 836 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 176.55 176.55 3g61 n ALA 837 N -2.63 0.00 0.37 -1.39 0.00 0.13 -0.79 120.51 116.20 3g61 n ALA 837 Ca 0.31 0.00 -0.17 0.00 0.00 0.00 0.00 53.44 53.58 3g61 n ALA 837 Cb 1.05 0.15 -0.09 0.00 0.00 0.00 0.00 19.45 20.57 3g61 n ALA 837 CO 0.00 0.00 0.00 -0.97 0.00 0.00 0.00 177.50 176.53 3g61 h ASN 838 N 0.00 -1.09 0.00 0.00 -0.73 0.35 -2.07 115.58 112.04 3g61 h ASN 838 Ca 0.00 0.06 0.00 0.00 1.87 0.00 0.00 56.30 58.23 3g61 h ASN 838 Cb 0.00 0.32 0.00 0.00 0.27 0.00 0.00 38.32 38.91 3g61 h ASN 838 CO 0.00 -0.65 0.00 -0.11 -0.37 0.00 0.00 177.43 176.30 3g61 n LEU 839 N -5.13 0.00 -0.28 0.34 7.94 0.29 0.13 117.00 120.29 3g61 n LEU 839 Ca -0.13 0.51 -0.07 0.00 -1.11 0.00 0.00 56.01 55.21 3g61 n LEU 839 Cb 0.44 -0.01 -0.07 0.00 0.53 0.00 0.00 43.42 44.31 3g61 n LEU 839 CO 0.30 -0.01 0.37 0.61 -1.11 0.00 0.00 177.39 177.54 3g61 n GLY 840 N -0.70 -2.04 0.16 -3.96 0.00 0.03 -0.02 105.19 98.67 3g61 n GLY 840 Ca 0.00 0.85 -0.19 0.00 0.00 0.00 0.00 46.02 46.68 3g61 n GLY 840 CO 0.00 0.00 0.00 -0.84 0.00 0.00 0.00 173.32 172.48 3g61 h THR 841 N 0.00 1.37 -0.93 2.61 2.02 -1.02 -2.07 112.91 114.88 3g61 h THR 841 Ca 0.11 -2.21 0.18 0.00 0.77 0.00 0.00 66.41 65.26 3g61 h THR 841 Cb 0.27 2.59 -0.10 0.00 -1.74 0.00 0.00 68.15 69.17 3g61 h THR 841 CO -0.63 0.66 0.52 1.23 0.37 0.00 0.00 175.52 177.67 3g61 h GLY 842 N 0.07 1.62 0.44 2.16 0.00 0.18 -0.53 103.07 107.01 3g61 h GLY 842 Ca -0.11 -0.30 -0.01 0.00 0.00 0.00 0.00 47.33 46.91 3g61 h GLY 842 CO 0.16 -0.08 -0.04 -2.22 0.00 0.00 0.00 176.54 174.35 3g61 h ILE 843 N 0.66 1.48 -0.90 2.60 1.08 -0.44 0.39 117.51 122.37 3g61 h ILE 843 Ca 0.54 -1.47 0.17 0.00 -0.39 0.00 0.00 64.86 63.71 3g61 h ILE 843 Cb 0.84 2.42 -0.10 0.00 -3.07 0.00 0.00 36.82 36.91 3g61 h ILE 843 CO -0.40 0.39 0.49 0.40 -0.69 0.00 0.00 178.15 178.34 3g61 h ILE 844 N -0.53 0.69 -0.42 -0.67 2.04 -0.84 0.88 117.51 118.65 3g61 h ILE 844 Ca -0.00 -0.22 -0.14 0.00 1.00 0.00 0.00 64.86 65.49 3g61 h ILE 844 Cb 0.66 -0.01 -0.01 0.00 -0.74 0.00 0.00 36.82 36.72 3g61 h ILE 844 CO 0.01 0.12 -0.30 0.40 0.00 0.00 0.00 178.15 178.38 3g61 h ILE 845 N 0.64 1.27 0.00 -0.67 2.04 -1.07 -1.90 117.51 117.82 3g61 h ILE 845 Ca 0.51 -1.47 0.00 0.00 1.00 0.00 0.00 64.86 64.90 3g61 h ILE 845 Cb 0.78 1.28 0.00 0.00 -0.74 0.00 0.00 36.82 38.14 3g61 h ILE 845 CO -0.39 0.50 0.07 -1.20 0.00 0.00 0.00 178.15 177.13 3g61 n SER 846 N -4.10 0.47 -0.09 1.72 7.64 0.27 -0.41 113.62 119.11 3g61 n SER 846 Ca -0.01 0.69 -0.15 0.00 1.01 0.00 0.00 58.87 60.41 3g61 n SER 846 Cb 0.50 -0.73 -0.07 0.00 -1.01 0.00 0.00 64.21 62.90 3g61 n SER 846 CO 0.00 0.00 0.00 -0.07 -3.01 0.00 0.00 175.04 171.96 3g61 h LEU 847 N 0.00 0.00 0.00 -3.43 4.07 0.14 -3.30 115.31 112.80 3g61 h LEU 847 Ca 0.00 -0.30 0.00 0.00 0.08 0.00 0.00 57.88 57.66 3g61 h LEU 847 Cb 0.14 0.00 0.00 0.00 1.08 0.00 0.00 40.66 41.88 3g61 h LEU 847 CO 0.00 1.18 0.00 0.00 -1.08 0.00 0.00 178.44 178.54 3g61 n ILE 848 N -4.51 0.70 0.00 1.22 3.06 -0.37 -4.46 119.36 115.00 3g61 n ILE 848 Ca -0.22 0.18 0.00 0.00 -2.50 0.00 0.00 62.75 60.21 3g61 n ILE 848 Cb 0.50 -1.17 0.00 0.00 0.54 0.00 0.00 39.64 39.52 3g61 n ILE 848 CO 0.00 0.00 0.00 -1.22 -2.50 0.00 0.00 176.55 172.83 3g61 n TYR 849 N -1.18 0.00 -1.94 9.51 0.53 0.45 -5.00 117.16 119.53 3g61 n TYR 849 Ca 0.00 0.00 0.00 0.00 -1.02 0.00 0.00 57.90 56.88 3g61 n TYR 849 Cb 0.00 0.00 0.00 0.00 -1.03 0.00 0.00 39.34 38.31 3g61 n TYR 849 CO 0.00 0.00 0.00 0.41 -1.02 0.00 0.00 176.86 176.25 3g61 n GLY 850 N 0.00 0.66 4.53 2.72 0.00 -1.26 -5.00 105.19 106.84 3g61 n GLY 850 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.02 3g61 n GLY 850 CO 0.00 0.00 0.00 0.79 0.00 0.00 0.00 173.32 174.11 3g61 n TRP 851 N 0.00 0.00 0.00 1.61 7.02 -1.26 -4.70 117.44 120.10 3g61 n TRP 851 Ca 0.00 0.00 0.00 0.00 -1.02 0.00 0.00 57.50 56.48 3g61 n TRP 851 Cb 0.53 -1.22 0.00 0.00 -2.42 0.00 0.00 31.31 28.20 3g61 n TRP 851 CO 0.00 0.00 0.00 1.04 -2.02 0.00 0.00 177.69 176.71 3g61 n GLN 852 N -2.00 0.00 -0.09 -0.99 1.13 -1.26 -4.10 117.38 110.07 3g61 n GLN 852 Ca 0.00 0.22 -0.09 0.00 -1.94 0.00 0.00 57.00 55.19 3g61 n GLN 852 Cb 0.00 -0.68 -0.06 0.00 0.11 0.00 0.00 30.24 29.60 3g61 n GLN 852 CO 0.00 0.00 0.00 -0.07 -1.44 0.00 0.00 177.06 175.55 3g61 h LEU 853 N 0.00 -1.18 0.00 1.08 -0.00 -1.97 -1.61 115.31 111.62 3g61 h LEU 853 Ca 0.00 0.15 0.00 0.00 -0.00 0.00 0.00 57.88 58.03 3g61 h LEU 853 Cb 0.00 0.48 0.00 0.00 -0.00 0.00 0.00 40.66 41.14 3g61 h LEU 853 CO 0.00 -0.26 0.00 0.41 -0.00 0.00 0.00 178.44 178.59 3g61 n THR 854 N -4.40 0.00 0.35 0.22 -1.04 -1.26 0.41 114.28 108.56 3g61 n THR 854 Ca -0.02 0.34 -0.14 0.00 -2.04 0.00 0.00 64.05 62.19 3g61 n THR 854 Cb 0.22 -0.46 -0.07 0.00 -1.82 0.00 0.00 70.33 68.20 3g61 n THR 854 CO 0.00 0.00 0.00 0.25 -0.64 0.00 0.00 175.07 174.68 3g61 h LEU 855 N 0.00 -0.77 -0.47 -4.42 5.85 -1.65 -2.14 115.31 111.71 3g61 h LEU 855 Ca 0.00 0.03 0.05 0.00 0.84 0.00 0.00 57.88 58.79 3g61 h LEU 855 Cb 0.00 0.20 -0.07 0.00 0.37 0.00 0.00 40.66 41.16 3g61 h LEU 855 CO 0.00 -0.42 -0.40 0.25 -0.34 0.00 0.00 178.44 177.54 3g61 h LEU 856 N -1.18 -1.39 0.07 2.25 5.85 -0.21 -0.66 115.31 120.05 3g61 h LEU 856 Ca -0.09 0.20 0.02 0.00 0.84 0.00 0.00 57.88 58.85 3g61 h LEU 856 Cb 0.70 0.59 -0.05 0.00 0.37 0.00 0.00 40.66 42.27 3g61 h LEU 856 CO 0.15 -0.22 -0.43 0.25 -0.34 0.00 0.00 178.44 177.85 3g61 h LEU 857 N -0.15 -1.30 -1.52 2.25 6.46 -0.15 -0.18 115.31 120.72 3g61 h LEU 857 Ca 0.08 0.15 0.25 0.00 -0.12 0.00 0.00 57.88 58.24 3g61 h LEU 857 Cb 0.35 0.49 -0.08 0.00 -0.73 0.00 0.00 40.66 40.70 3g61 h LEU 857 CO -0.52 -0.49 0.66 0.17 -0.62 0.00 0.00 178.44 177.64 3g61 h LEU 858 N -0.64 0.36 -0.41 2.25 8.10 -0.87 1.41 115.31 125.52 3g61 h LEU 858 Ca 0.03 0.05 -0.00 0.00 0.11 0.00 0.00 57.88 58.07 3g61 h LEU 858 Cb 0.68 -0.01 -0.02 0.00 -0.44 0.00 0.00 40.66 40.87 3g61 h LEU 858 CO -0.28 0.10 0.24 0.00 -4.11 0.00 0.00 178.44 174.39 3g61 h ALA 859 N 1.59 0.52 -0.47 0.17 0.00 0.47 -2.44 119.26 119.10 3g61 h ALA 859 Ca 0.53 -0.07 -0.02 0.00 0.00 0.00 0.00 54.91 55.35 3g61 h ALA 859 Cb 1.47 -0.16 -0.02 0.00 0.00 0.00 0.00 17.79 19.07 3g61 h ALA 859 CO -0.20 0.03 0.20 0.82 0.00 0.00 0.00 179.25 180.10 3g61 h ILE 860 N 0.54 1.20 0.00 0.00 1.08 0.30 -1.97 117.51 118.66 3g61 h ILE 860 Ca 0.15 -0.61 0.00 0.00 -0.39 0.00 0.00 64.86 64.01 3g61 h ILE 860 Cb 0.02 0.72 0.00 0.00 -3.07 0.00 0.00 36.82 34.49 3g61 h ILE 860 CO -0.03 0.23 0.00 0.52 -0.69 0.00 0.00 178.15 178.18 3g61 n VAL 861 N -4.59 0.00 -0.42 1.67 0.31 0.33 -0.72 118.33 114.91 3g61 n VAL 861 Ca 0.01 1.29 0.35 0.00 -0.01 0.00 0.00 64.34 65.99 3g61 n VAL 861 Cb 0.14 -2.27 0.63 0.00 -0.91 0.00 0.00 33.84 31.43 3g61 n VAL 861 CO 0.00 0.00 0.00 -0.65 -1.32 0.00 0.00 176.83 174.86 3g61 h PRO 862 N 0.00 0.09 0.05 5.55 0.11 -1.53 0.33 132.00 136.61 3g61 h PRO 862 Ca 0.00 -0.01 -0.00 0.00 0.11 0.00 0.00 66.00 66.10 3g61 h PRO 862 Cb 0.00 -0.02 0.00 0.00 0.11 0.00 0.00 31.00 31.09 3g61 h PRO 862 CO 0.00 0.06 -0.02 0.82 -0.21 0.00 0.00 178.00 178.65 3g61 h ILE 863 N 0.09 0.00 -0.93 4.15 2.04 -1.12 -1.20 117.51 120.54 3g61 h ILE 863 Ca 0.82 -0.01 0.24 0.00 1.00 0.00 0.00 64.86 66.91 3g61 h ILE 863 Cb 2.47 0.00 -0.13 0.00 -0.74 0.00 0.00 36.82 38.42 3g61 h ILE 863 CO -0.48 0.00 0.44 0.16 0.00 0.00 0.00 178.15 178.27 3g61 h ILE 864 N -0.07 0.44 0.15 -0.67 -0.00 -0.02 0.13 117.51 117.47 3g61 h ILE 864 Ca -0.01 -0.14 0.01 0.00 -0.00 0.00 0.00 64.86 64.72 3g61 h ILE 864 Cb 0.05 0.00 -0.02 0.00 -0.00 0.00 0.00 36.82 36.86 3g61 h ILE 864 CO 0.01 0.07 -0.19 0.00 -0.00 0.00 0.00 178.15 178.05 3g61 h ALA 865 N 1.74 -0.35 -0.35 0.16 0.00 -0.95 -0.85 119.26 118.66 3g61 h ALA 865 Ca 0.60 -0.04 0.10 0.00 0.00 0.00 0.00 54.91 55.57 3g61 h ALA 865 Cb 1.19 0.28 -0.01 0.00 0.00 0.00 0.00 17.79 19.24 3g61 h ALA 865 CO -0.54 -0.73 0.29 0.82 0.00 0.00 0.00 179.25 179.08 3g61 h ILE 866 N -0.39 0.66 -0.11 0.00 1.08 0.28 0.51 117.51 119.55 3g61 h ILE 866 Ca 0.01 0.00 -0.05 0.00 -0.39 0.00 0.00 64.86 64.43 3g61 h ILE 866 Cb 0.38 0.79 -0.00 0.00 -3.07 0.00 0.00 36.82 34.92 3g61 h ILE 866 CO -0.07 0.00 -0.11 0.00 -0.69 0.00 0.00 178.15 177.28 3g61 h ALA 867 N 1.76 0.16 -0.49 1.87 0.00 -0.25 -1.73 119.26 120.57 3g61 h ALA 867 Ca 0.17 -0.31 0.06 0.00 0.00 0.00 0.00 54.91 54.83 3g61 h ALA 867 Cb 0.74 -0.03 -0.03 0.00 0.00 0.00 0.00 17.79 18.47 3g61 h ALA 867 CO -0.00 0.01 0.33 0.78 0.00 0.00 0.00 179.25 180.37 3g61 h GLY 868 N -0.14 0.52 0.34 0.00 0.00 -0.05 0.87 103.07 104.61 3g61 h GLY 868 Ca 0.02 -0.17 -0.01 0.00 0.00 0.00 0.00 47.33 47.17 3g61 h GLY 868 CO 0.03 0.13 -0.04 -2.08 0.00 0.00 0.00 176.54 174.58 3g61 h VAL 869 N 0.42 1.55 0.00 4.60 2.07 -1.29 -2.03 116.25 121.56 3g61 h VAL 869 Ca 0.22 -1.66 -0.03 0.00 0.82 0.00 0.00 66.70 66.04 3g61 h VAL 869 Cb 0.32 2.66 -0.00 0.00 -1.52 0.00 0.00 31.29 32.74 3g61 h VAL 869 CO -0.05 0.44 -0.15 1.62 0.02 0.00 0.00 177.57 179.44 3g61 h VAL 870 N -0.65 0.94 0.71 2.57 3.04 -0.90 -1.66 116.25 120.31 3g61 h VAL 870 Ca -0.00 -0.54 -0.03 0.00 -1.01 0.00 0.00 66.70 65.11 3g61 h VAL 870 Cb 0.74 1.31 0.01 0.00 -2.01 0.00 0.00 31.29 31.33 3g61 h VAL 870 CO 0.01 0.15 -0.34 -0.08 -1.01 0.00 0.00 177.57 176.29 3g61 h GLU 871 N 0.00 -0.92 -0.99 4.17 4.81 -0.80 -1.52 114.58 119.32 3g61 h GLU 871 Ca -0.00 0.06 0.20 0.00 -0.13 0.00 0.00 59.36 59.49 3g61 h GLU 871 Cb 0.30 0.21 -0.10 0.00 0.63 0.00 0.00 28.75 29.78 3g61 h GLU 871 CO 0.02 -0.59 0.61 1.98 -0.73 0.00 0.00 179.01 180.30 3g61 h MET 872 N -1.20 0.67 -0.16 1.92 4.05 -1.06 -1.22 114.93 117.93 3g61 h MET 872 Ca -0.10 -0.04 -0.01 0.00 -0.28 0.00 0.00 59.70 59.27 3g61 h MET 872 Cb 0.75 -0.15 -0.01 0.00 -0.80 0.00 0.00 31.60 31.39 3g61 h MET 872 CO 0.16 0.44 0.07 -0.22 0.23 0.00 0.00 176.91 177.59 3g61 h LYS 873 N 0.69 0.24 -0.15 0.39 1.63 -1.16 -1.42 116.57 116.79 3g61 h LYS 873 Ca 0.56 -0.04 -0.09 0.00 -0.85 0.00 0.00 60.65 60.24 3g61 h LYS 873 Cb 0.98 -0.04 -0.01 0.00 -0.60 0.00 0.00 32.23 32.56 3g61 h LYS 873 CO -0.34 0.31 -0.29 1.98 -3.45 0.00 0.00 179.45 177.66 3g61 h MET 874 N 0.11 0.28 -0.17 1.90 4.05 -0.65 -0.52 114.93 119.93 3g61 h MET 874 Ca 0.05 -0.10 -0.05 0.00 -0.28 0.00 0.00 59.70 59.32 3g61 h MET 874 Cb 0.15 -0.02 -0.00 0.00 -0.80 0.00 0.00 31.60 30.93 3g61 h MET 874 CO -0.01 0.55 -0.08 1.25 0.23 0.00 0.00 176.91 178.86 3g61 h LEU 875 N 0.25 0.37 -0.28 3.39 6.46 -1.06 -2.02 115.31 122.42 3g61 h LEU 875 Ca 0.04 -0.40 -0.19 0.00 -0.12 0.00 0.00 57.88 57.20 3g61 h LEU 875 Cb 0.64 -0.10 -0.02 0.00 -0.73 0.00 0.00 40.66 40.45 3g61 h LEU 875 CO 0.05 0.69 -0.87 -1.28 -0.62 0.00 0.00 178.44 176.40 3g61 h SER 876 N 0.05 0.10 -0.00 1.25 0.87 -1.21 -1.78 113.55 112.82 3g61 h SER 876 Ca 0.04 -0.09 -0.00 0.00 -1.23 0.00 0.00 61.79 60.51 3g61 h SER 876 Cb 0.55 -0.03 -0.00 0.00 -0.44 0.00 0.00 62.40 62.48 3g61 h SER 876 CO 0.02 0.92 0.00 1.23 -0.53 0.00 0.00 176.83 178.48 3g61 h GLY 877 N 2.27 0.00 1.73 5.77 0.00 -1.11 0.22 103.07 111.96 3g61 h GLY 877 Ca -0.03 -0.00 -0.06 0.00 0.00 0.00 0.00 47.33 47.24 3g61 h GLY 877 CO 0.12 0.00 -0.15 1.46 0.00 0.00 0.00 176.54 177.97 3g61 h GLN 878 N -0.13 0.32 -0.47 4.80 1.08 -1.38 -1.96 115.11 117.37 3g61 h GLN 878 Ca 0.00 -0.09 -0.11 0.00 -1.45 0.00 0.00 58.65 57.00 3g61 h GLN 878 Cb 0.14 -0.04 -0.01 0.00 -0.05 0.00 0.00 27.48 27.52 3g61 h GLN 878 CO -0.00 0.48 -0.14 0.00 -0.95 0.00 0.00 178.83 178.22 3g61 h ALA 879 N 1.54 0.65 0.60 3.87 0.00 -0.90 -2.01 119.26 123.02 3g61 h ALA 879 Ca 0.06 -0.35 -0.03 0.00 0.00 0.00 0.00 54.91 54.58 3g61 h ALA 879 Cb 0.46 -0.16 0.01 0.00 0.00 0.00 0.00 17.79 18.09 3g61 h ALA 879 CO 0.03 0.58 -0.29 1.25 0.00 0.00 0.00 179.25 180.81 3g61 h LEU 880 N 0.77 -0.69 -1.07 0.00 5.85 -0.22 -1.75 115.31 118.20 3g61 h LEU 880 Ca 0.12 0.01 0.11 0.00 0.84 0.00 0.00 57.88 58.96 3g61 h LEU 880 Cb 0.70 0.18 -0.08 0.00 0.37 0.00 0.00 40.66 41.83 3g61 h LEU 880 CO 0.05 -0.29 0.62 0.07 -0.34 0.00 0.00 178.44 178.55 3g61 h LYS 881 N -1.20 0.94 -0.16 1.25 2.10 -1.48 -0.27 116.57 117.75 3g61 h LYS 881 Ca -0.08 -0.06 0.04 0.00 -2.00 0.00 0.00 60.65 58.55 3g61 h LYS 881 Cb 0.63 -0.21 -0.04 0.00 -0.90 0.00 0.00 32.23 31.71 3g61 h LYS 881 CO 0.14 0.62 -0.09 0.22 -2.00 0.00 0.00 179.45 178.34 3g61 h ASP 882 N 0.97 -0.30 0.08 7.07 3.58 -1.36 0.39 116.42 126.86 3g61 h ASP 882 Ca 0.47 0.07 0.00 0.00 0.42 0.00 0.00 57.03 57.99 3g61 h ASP 882 Cb 0.47 0.16 0.00 0.00 1.72 0.00 0.00 39.33 41.68 3g61 h ASP 882 CO -0.23 -0.12 0.00 0.11 -2.88 0.00 0.00 179.24 176.11 3g61 h LYS 883 N -0.08 0.00 0.01 0.28 1.79 -0.13 -1.66 116.57 116.77 3g61 h LYS 883 Ca 0.09 0.00 -0.00 0.00 -2.18 0.00 0.00 60.65 58.56 3g61 h LYS 883 Cb 0.22 0.00 0.00 0.00 -1.58 0.00 0.00 32.23 30.87 3g61 h LYS 883 CO -0.22 0.00 -0.01 0.87 -1.08 0.00 0.00 179.45 179.02 3g61 h LYS 884 N 0.00 -0.01 -0.23 3.15 1.79 0.60 -1.66 116.57 120.20 3g61 h LYS 884 Ca 0.00 0.00 -0.01 0.00 -2.18 0.00 0.00 60.65 58.46 3g61 h LYS 884 Cb 0.04 0.00 -0.01 0.00 -1.58 0.00 0.00 32.23 30.68 3g61 h LYS 884 CO 0.00 0.74 0.09 0.93 -1.08 0.00 0.00 179.45 180.13 3g61 h GLU 885 N -0.96 0.35 0.00 3.15 5.08 -1.00 -1.70 114.58 119.48 3g61 h GLU 885 Ca -0.00 -0.06 -0.01 0.00 -1.00 0.00 0.00 59.36 58.28 3g61 h GLU 885 Cb 0.76 -0.06 -0.00 0.00 0.50 0.00 0.00 28.75 29.95 3g61 h GLU 885 CO 0.00 0.39 -0.06 1.37 -1.00 0.00 0.00 179.01 179.72 3g61 h LEU 886 N 0.22 0.00 0.22 1.33 8.10 -1.45 -2.21 115.31 121.52 3g61 h LEU 886 Ca 0.08 0.00 -0.01 0.00 0.11 0.00 0.00 57.88 58.06 3g61 h LEU 886 Cb 0.18 0.00 0.00 0.00 -0.44 0.00 0.00 40.66 40.40 3g61 h LEU 886 CO -0.01 0.06 -0.11 -0.08 -4.11 0.00 0.00 178.44 174.20 3g61 h GLU 887 N 0.00 -0.28 -0.18 0.17 4.81 -0.43 0.14 114.58 118.81 3g61 h GLU 887 Ca -0.00 0.02 0.05 0.00 -0.13 0.00 0.00 59.36 59.30 3g61 h GLU 887 Cb 0.16 0.06 -0.07 0.00 0.63 0.00 0.00 28.75 29.54 3g61 h GLU 887 CO 0.01 0.06 -0.28 0.78 -0.73 0.00 0.00 179.01 178.84 3g61 h GLY 888 N -0.67 -0.31 0.65 1.92 0.00 -0.80 0.22 103.07 104.09 3g61 h GLY 888 Ca -0.03 0.35 0.08 0.00 0.00 0.00 0.00 47.33 47.73 3g61 h GLY 888 CO 0.05 -0.21 0.59 1.76 0.00 0.00 0.00 176.54 178.73 3g61 h SER 889 N -0.33 0.92 0.41 0.19 0.02 -1.41 -2.38 113.55 110.98 3g61 h SER 889 Ca 0.11 0.02 -0.02 0.00 -0.84 0.00 0.00 61.79 61.07 3g61 h SER 889 Cb 0.50 -0.17 0.00 0.00 0.14 0.00 0.00 62.40 62.88 3g61 h SER 889 CO -0.36 0.56 -0.20 1.23 -1.14 0.00 0.00 176.83 176.92 3g61 h GLY 890 N 1.04 -0.58 -0.16 -3.77 0.00 0.82 -2.03 103.07 98.39 3g61 h GLY 890 Ca 0.43 0.21 0.06 0.00 0.00 0.00 0.00 47.33 48.03 3g61 h GLY 890 CO -0.20 -0.21 -0.39 0.50 0.00 0.00 0.00 176.54 176.24 3g61 h LYS 891 N -0.63 -0.34 0.02 4.80 1.57 -0.31 0.38 116.57 122.07 3g61 h LYS 891 Ca -0.06 0.02 0.02 0.00 -1.87 0.00 0.00 60.65 58.76 3g61 h LYS 891 Cb 0.47 0.08 -0.05 0.00 0.08 0.00 0.00 32.23 32.80 3g61 h LYS 891 CO 0.09 -0.23 -0.50 -0.84 -0.57 0.00 0.00 179.45 177.41 3g61 h ILE 892 N -0.35 0.00 -0.90 1.86 3.07 -1.43 0.26 117.51 120.01 3g61 h ILE 892 Ca 0.13 0.00 0.20 0.00 1.55 0.00 0.00 64.86 66.74 3g61 h ILE 892 Cb 0.58 0.00 -0.17 0.00 -0.27 0.00 0.00 36.82 36.96 3g61 h ILE 892 CO -0.51 0.00 -0.15 0.00 -1.05 0.00 0.00 178.15 176.44 3g61 n ALA 893 N -2.92 0.29 -0.54 0.16 0.00 -0.37 -0.23 120.51 116.89 3g61 n ALA 893 Ca -0.07 0.98 0.00 0.00 0.00 0.00 0.00 53.44 54.35 3g61 n ALA 893 Cb 0.37 -0.63 0.00 0.00 0.00 0.00 0.00 19.45 19.19 3g61 n ALA 893 CO 0.00 0.00 0.00 2.41 0.00 0.00 0.00 177.50 179.91 3g61 n THR 894 N -5.42 0.00 -0.12 0.00 -1.04 0.12 -1.60 114.28 106.21 3g61 n THR 894 Ca 0.16 1.23 0.03 0.00 -2.04 0.00 0.00 64.05 63.44 3g61 n THR 894 Cb 0.52 -2.03 0.07 0.00 -1.82 0.00 0.00 70.33 67.08 3g61 n THR 894 CO 0.00 0.00 0.00 1.21 -0.64 0.00 0.00 175.07 175.64 3g61 n GLU 895 N -1.48 -0.03 0.00 -2.82 2.13 0.68 -0.89 120.64 118.22 3g61 n GLU 895 Ca 0.00 0.53 0.00 0.00 0.66 0.00 0.00 57.16 58.35 3g61 n GLU 895 Cb 0.00 -0.81 0.00 0.00 0.27 0.00 0.00 31.44 30.90 3g61 n GLU 895 CO 0.00 0.00 0.00 0.00 -0.41 0.00 0.00 177.13 176.72 3g61 n ALA 896 N -3.72 -0.22 -0.04 4.31 0.00 -0.73 -1.51 120.51 118.60 3g61 n ALA 896 Ca 0.07 0.00 -0.01 0.00 0.00 0.00 0.00 53.44 53.49 3g61 n ALA 896 Cb 0.21 0.00 -0.01 0.00 0.00 0.00 0.00 19.45 19.65 3g61 n ALA 896 CO 0.00 0.00 0.00 -0.84 0.00 0.00 0.00 177.50 176.66 3g61 h ILE 897 N 0.00 0.00 -0.80 0.00 3.07 -0.01 0.51 117.51 120.28 3g61 h ILE 897 Ca 0.00 0.00 0.18 0.00 1.55 0.00 0.00 64.86 66.59 3g61 h ILE 897 Cb 0.00 0.00 -0.15 0.00 -0.27 0.00 0.00 36.82 36.40 3g61 h ILE 897 CO 0.00 0.00 -0.13 1.21 -1.05 0.00 0.00 178.15 178.18 3g61 n GLU 898 N -3.21 -0.07 -2.34 0.16 2.13 -0.35 -0.28 120.64 116.68 3g61 n GLU 898 Ca 0.00 1.23 -0.40 0.00 0.66 0.00 0.00 57.16 58.65 3g61 n GLU 898 Cb 0.03 -1.88 0.01 0.00 0.27 0.00 0.00 31.44 29.87 3g61 n GLU 898 CO 0.00 0.00 0.00 0.09 -0.41 0.00 0.00 177.13 176.81 3g61 n ASN 899 N -5.25 7.52 -0.14 4.31 3.02 0.18 -4.79 115.26 120.11 3g61 n ASN 899 Ca 0.15 -3.54 0.26 0.00 -0.03 0.00 0.00 54.58 51.42 3g61 n ASN 899 Cb 0.47 -1.21 0.48 0.00 -0.61 0.00 0.00 39.78 38.91 3g61 n ASN 899 CO 0.00 0.00 0.00 2.19 -2.62 0.00 0.00 177.26 176.83 3g61 h PHE 900 N 4.12 0.00 0.00 3.10 -5.15 -0.18 -3.04 116.94 115.79 3g61 h PHE 900 Ca 0.58 0.00 0.00 0.00 -0.20 0.00 0.00 57.97 58.35 3g61 h PHE 900 Cb 0.30 0.00 0.00 0.00 0.22 0.00 0.00 35.95 36.47 3g61 h PHE 900 CO 1.40 0.00 0.00 0.54 -2.00 0.00 0.00 178.31 178.25 3g61 n ARG 901 N -3.30 0.00 -0.01 6.09 3.00 -1.26 0.37 116.66 121.55 3g61 n ARG 901 Ca 0.20 0.00 -0.05 0.00 -0.01 0.00 0.00 57.85 57.98 3g61 n ARG 901 Cb 1.35 -1.40 -0.02 0.00 0.00 0.00 0.00 32.46 32.39 3g61 n ARG 901 CO 0.00 0.00 0.00 -2.37 0.00 0.00 0.00 177.63 175.26 3g61 n THR 902 N 1.67 0.71 0.05 0.55 5.66 -1.15 -4.29 114.28 117.47 3g61 n THR 902 Ca 0.00 0.08 0.02 0.00 -3.05 0.00 0.00 64.05 61.09 3g61 n THR 902 Cb 0.00 -1.66 0.09 0.00 -1.55 0.00 0.00 70.33 67.21 3g61 n THR 902 CO 0.00 0.00 0.00 0.55 -3.05 0.00 0.00 175.07 172.57 3g61 n VAL 903 N -3.45 0.85 -0.17 1.08 3.14 0.16 0.34 118.33 120.28 3g61 n VAL 903 Ca -0.09 0.57 -0.02 0.00 -2.96 0.00 0.00 64.34 61.85 3g61 n VAL 903 Cb 0.41 -1.57 0.08 0.00 -1.06 0.00 0.00 33.84 31.70 3g61 n VAL 903 CO 0.00 0.00 0.00 1.62 -6.46 0.00 0.00 176.83 171.99 3g61 h VAL 904 N 0.00 0.73 0.00 1.55 3.04 -1.75 -2.88 116.25 116.95 3g61 h VAL 904 Ca 0.00 -0.10 0.00 0.00 -1.01 0.00 0.00 66.70 65.59 3g61 h VAL 904 Cb 0.57 0.42 0.00 0.00 -2.01 0.00 0.00 31.29 30.27 3g61 h VAL 904 CO 0.00 0.05 -0.64 -1.54 -1.01 0.00 0.00 177.57 174.44 3g61 n SER 905 N -5.08 0.91 0.00 3.17 3.41 1.05 -4.93 113.62 112.15 3g61 n SER 905 Ca 0.07 -0.57 0.00 0.00 -0.26 0.00 0.00 58.87 58.10 3g61 n SER 905 Cb 0.26 1.09 0.00 0.00 -0.26 0.00 0.00 64.21 65.29 3g61 n SER 905 CO 0.00 0.00 0.00 -0.11 -0.16 0.00 0.00 175.04 174.77 3g61 n LEU 906 N -1.34 0.10 -3.30 1.04 0.00 0.20 -4.69 117.00 109.01 3g61 n LEU 906 Ca 0.01 0.00 -0.34 0.00 0.00 0.00 0.00 56.01 55.68 3g61 n LEU 906 Cb 0.16 -0.18 -0.02 0.00 0.00 0.00 0.00 43.42 43.38 3g61 n LEU 906 CO 0.19 -0.05 3.00 0.35 0.00 0.00 0.00 177.39 180.89 3g61 n THR 907 N 0.16 3.61 0.00 1.96 -2.24 -1.26 -3.03 114.28 113.48 3g61 n THR 907 Ca 0.00 -2.21 0.00 0.00 -2.27 0.00 0.00 64.05 59.57 3g61 n THR 907 Cb 0.00 -2.45 0.00 0.00 -2.10 0.00 0.00 70.33 65.78 3g61 n THR 907 CO 0.00 0.00 0.00 -2.11 -0.57 0.00 0.00 175.07 172.39 3g61 n ARG 908 N 4.01 0.00 0.00 -0.78 0.00 -1.26 -4.74 116.66 113.88 3g61 n ARG 908 Ca 0.66 0.00 0.00 0.00 -0.00 0.00 0.00 57.85 58.51 3g61 n ARG 908 Cb 0.21 0.00 0.00 0.00 -0.00 0.00 0.00 32.46 32.67 3g61 n ARG 908 CO 0.00 0.00 0.00 0.39 0.00 0.00 0.00 177.63 178.02 3g61 n GLU 909 N -1.05 0.00 0.31 2.89 4.71 -1.17 0.20 120.64 126.53 3g61 n GLU 909 Ca 0.00 0.00 -0.16 0.00 -0.01 0.00 0.00 57.16 56.99 3g61 n GLU 909 Cb 0.00 0.00 -0.08 0.00 -1.01 0.00 0.00 31.44 30.35 3g61 n GLU 909 CO 0.00 0.00 0.00 0.37 0.09 0.00 0.00 177.13 177.59 3g61 h GLN 910 N 0.00 -0.91 -0.37 3.49 5.75 -1.97 -1.31 115.11 119.79 3g61 h GLN 910 Ca 0.00 0.06 0.06 0.00 -0.15 0.00 0.00 58.65 58.62 3g61 h GLN 910 Cb 0.00 0.21 -0.06 0.00 1.07 0.00 0.00 27.48 28.70 3g61 h GLN 910 CO 0.00 -0.61 -0.15 1.17 -2.65 0.00 0.00 178.83 176.59 3g61 n LYS 911 N -5.06 -0.09 0.00 1.69 0.00 0.53 0.22 118.16 115.44 3g61 n LYS 911 Ca -0.11 0.57 0.00 0.00 0.00 0.00 0.00 58.31 58.77 3g61 n LYS 911 Cb 0.41 -0.85 0.00 0.00 0.00 0.00 0.00 35.03 34.59 3g61 n LYS 911 CO 0.00 0.00 0.00 1.19 0.00 0.00 0.00 177.40 178.59 3g61 n PHE 912 N -4.54 0.00 -0.53 5.64 0.99 0.25 -1.07 117.46 118.20 3g61 n PHE 912 Ca 0.04 0.00 0.43 0.00 -0.00 0.00 0.00 57.45 57.92 3g61 n PHE 912 Cb 0.15 -0.23 0.70 0.00 -1.00 0.00 0.00 39.48 39.09 3g61 n PHE 912 CO 0.00 0.00 0.00 0.39 -0.00 0.00 0.00 176.76 177.15 3g61 n GLU 913 N -1.55 -0.02 0.24 -1.08 -0.58 0.59 0.12 120.64 118.36 3g61 n GLU 913 Ca 0.00 1.17 -0.12 0.00 -0.42 0.00 0.00 57.16 57.79 3g61 n GLU 913 Cb 0.00 -2.41 -0.06 0.00 -0.57 0.00 0.00 31.44 28.40 3g61 n GLU 913 CO 0.00 0.00 0.00 1.15 -0.48 0.00 0.00 177.13 177.80 3g61 h THR 914 N 0.00 0.00 -1.06 2.62 2.02 0.26 0.10 112.91 116.84 3g61 h THR 914 Ca 0.87 0.00 0.38 0.00 0.77 0.00 0.00 66.41 68.43 3g61 h THR 914 Cb 3.04 0.00 -0.15 0.00 -1.74 0.00 0.00 68.15 69.29 3g61 h THR 914 CO -0.32 0.00 0.62 0.24 0.37 0.00 0.00 175.52 176.43 3g61 h MET 915 N -0.71 0.17 -0.46 6.66 2.86 0.20 0.79 114.93 124.44 3g61 h MET 915 Ca -0.06 -0.01 -0.07 0.00 -2.06 0.00 0.00 59.70 57.50 3g61 h MET 915 Cb 0.58 -0.04 -0.02 0.00 0.06 0.00 0.00 31.60 32.19 3g61 h MET 915 CO 0.03 0.11 0.00 1.88 1.06 0.00 0.00 176.91 180.00 3g61 h TYR 916 N 0.17 0.88 -0.99 -0.22 0.05 -0.81 -0.78 116.97 115.27 3g61 h TYR 916 Ca 0.79 -0.15 0.19 0.00 0.05 0.00 0.00 58.73 59.60 3g61 h TYR 916 Cb 2.04 -0.23 -0.10 0.00 1.01 0.00 0.00 36.73 39.45 3g61 h TYR 916 CO -0.01 0.85 0.61 0.00 -1.05 0.00 0.00 178.16 178.57 3g61 h ALA 917 N 0.92 1.77 0.34 3.88 0.00 0.25 1.15 119.26 127.57 3g61 h ALA 917 Ca 0.13 0.06 -0.02 0.00 0.00 0.00 0.00 54.91 55.09 3g61 h ALA 917 Cb 0.49 -0.08 0.00 0.00 0.00 0.00 0.00 17.79 18.20 3g61 h ALA 917 CO 0.02 -0.12 -0.17 1.96 0.00 0.00 0.00 179.25 180.94 3g61 h GLN 918 N 0.71 -0.45 -0.63 0.00 1.08 -0.31 1.09 115.11 116.60 3g61 h GLN 918 Ca 0.55 0.03 0.11 0.00 -1.45 0.00 0.00 58.65 57.89 3g61 h GLN 918 Cb 0.92 0.10 -0.12 0.00 -0.05 0.00 0.00 27.48 28.34 3g61 h GLN 918 CO -0.33 -0.30 -0.36 0.66 -0.95 0.00 0.00 178.83 177.55 3g61 h SER 919 N -0.47 -1.24 -0.49 1.46 4.64 -0.54 0.26 113.55 117.17 3g61 h SER 919 Ca -0.05 0.24 0.10 0.00 -0.47 0.00 0.00 61.79 61.61 3g61 h SER 919 Cb 0.36 0.61 -0.03 0.00 -0.31 0.00 0.00 62.40 63.04 3g61 h SER 919 CO 0.07 -0.31 0.34 -0.07 -0.87 0.00 0.00 176.83 175.99 3g61 h LEU 920 N -0.16 0.23 -0.29 5.97 -0.00 0.16 -1.46 115.31 119.77 3g61 h LEU 920 Ca 0.24 0.00 -0.02 0.00 -0.00 0.00 0.00 57.88 58.10 3g61 h LEU 920 Cb 0.56 -0.04 -0.01 0.00 -0.00 0.00 0.00 40.66 41.16 3g61 h LEU 920 CO -0.71 0.14 0.09 0.06 -0.00 0.00 0.00 178.44 178.02 3g61 h GLN 921 N 0.25 0.45 0.50 1.13 3.07 0.48 -1.67 115.11 119.32 3g61 h GLN 921 Ca 0.23 -0.10 -0.02 0.00 0.09 0.00 0.00 58.65 58.85 3g61 h GLN 921 Cb 0.57 -0.07 -0.00 0.00 0.08 0.00 0.00 27.48 28.06 3g61 h GLN 921 CO -0.05 0.50 -0.31 0.82 0.09 0.00 0.00 178.83 179.89 3g61 h ILE 922 N 0.31 0.00 0.00 1.86 5.03 -0.68 -0.05 117.51 123.98 3g61 h ILE 922 Ca 0.09 0.00 0.00 0.00 -0.12 0.00 0.00 64.86 64.83 3g61 h ILE 922 Cb 0.24 0.00 0.00 0.00 -3.03 0.00 0.00 36.82 34.03 3g61 h ILE 922 CO -0.00 0.00 0.00 -2.65 -0.68 0.00 0.00 178.15 174.82 3g61 n PRO 923 N -4.29 0.19 -0.08 2.37 -0.02 -1.05 -1.75 135.00 130.38 3g61 n PRO 923 Ca -0.09 0.00 -0.11 0.00 -2.02 0.00 0.00 63.50 61.28 3g61 n PRO 923 Cb 0.31 -1.38 -0.07 0.00 -0.02 0.00 0.00 33.50 32.35 3g61 n PRO 923 CO 0.00 0.00 0.00 -0.92 1.98 0.00 0.00 175.50 176.56 3g61 h TYR 924 N 0.00 0.00 -0.90 6.00 -0.00 -0.04 -1.87 116.97 120.17 3g61 h TYR 924 Ca 0.00 0.00 0.01 0.00 -0.00 0.00 0.00 58.73 58.74 3g61 h TYR 924 Cb 0.00 0.00 -0.04 0.00 -0.00 0.00 0.00 36.73 36.69 3g61 h TYR 924 CO 0.00 0.66 0.60 0.00 -0.00 0.00 0.00 178.16 179.41 3g61 h ARG 925 N -1.00 1.19 -0.49 1.82 3.08 -1.10 0.28 114.38 118.16 3g61 h ARG 925 Ca -0.10 -0.07 0.06 0.00 0.07 0.00 0.00 59.98 59.94 3g61 h ARG 925 Cb 0.73 -0.27 -0.03 0.00 0.08 0.00 0.00 29.97 30.49 3g61 h ARG 925 CO -0.06 0.79 0.33 -0.97 -1.07 0.00 0.00 179.97 178.98 3g61 h ASN 926 N 1.22 0.38 -0.09 7.04 -0.73 -1.45 -2.00 115.58 119.95 3g61 h ASN 926 Ca 0.33 -0.00 -0.01 0.00 1.87 0.00 0.00 56.30 58.49 3g61 h ASN 926 Cb -0.14 -0.08 -0.00 0.00 0.27 0.00 0.00 38.32 38.36 3g61 h ASN 926 CO -0.07 0.25 -0.00 0.00 -0.37 0.00 0.00 177.43 177.24 3g61 h ALA 927 N 1.73 0.12 -0.40 1.57 0.00 0.41 -1.86 119.26 120.83 3g61 h ALA 927 Ca 0.21 -0.18 0.05 0.00 0.00 0.00 0.00 54.91 55.00 3g61 h ALA 927 Cb 0.28 -0.03 -0.05 0.00 0.00 0.00 0.00 17.79 17.99 3g61 h ALA 927 CO -0.05 -0.19 0.13 0.52 0.00 0.00 0.00 179.25 179.65 3g61 h MET 928 N -0.11 0.27 0.09 0.00 2.86 -0.70 0.40 114.93 117.74 3g61 h MET 928 Ca 0.03 -0.02 0.01 0.00 -2.06 0.00 0.00 59.70 57.66 3g61 h MET 928 Cb 0.35 -0.06 -0.02 0.00 0.06 0.00 0.00 31.60 31.92 3g61 h MET 928 CO 0.00 0.18 -0.29 -0.22 1.06 0.00 0.00 176.91 177.64 3g61 h LYS 929 N 0.28 -0.42 -0.96 1.72 3.64 -1.31 -1.22 116.57 118.29 3g61 h LYS 929 Ca 0.19 0.03 0.18 0.00 -1.27 0.00 0.00 60.65 59.78 3g61 h LYS 929 Cb 0.19 0.10 -0.09 0.00 -0.41 0.00 0.00 32.23 32.02 3g61 h LYS 929 CO -0.21 -0.28 0.61 1.57 -2.27 0.00 0.00 179.45 178.87 3g61 h LYS 930 N -0.44 0.65 -0.28 1.90 2.10 -0.96 -0.29 116.57 119.26 3g61 h LYS 930 Ca -0.01 -0.04 0.04 0.00 -2.00 0.00 0.00 60.65 58.64 3g61 h LYS 930 Cb 0.43 -0.15 -0.06 0.00 -0.90 0.00 0.00 32.23 31.55 3g61 h LYS 930 CO -0.15 0.43 -0.44 0.00 -2.00 0.00 0.00 179.45 177.30 3g61 h ALA 931 N 1.62 -0.71 -0.54 0.07 0.00 0.94 0.16 119.26 120.80 3g61 h ALA 931 Ca 0.52 -0.01 0.09 0.00 0.00 0.00 0.00 54.91 55.51 3g61 h ALA 931 Cb 0.92 1.02 -0.10 0.00 0.00 0.00 0.00 17.79 19.63 3g61 h ALA 931 CO -0.28 -0.91 -0.40 1.25 0.00 0.00 0.00 179.25 178.91 3g61 h HIS 932 N -0.34 -1.16 0.00 0.00 -0.00 -0.21 -2.17 115.15 111.25 3g61 h HIS 932 Ca 0.05 0.08 0.00 0.00 -0.00 0.00 0.00 60.37 60.50 3g61 h HIS 932 Cb 0.48 0.59 0.00 0.00 -0.00 0.00 0.00 27.41 28.48 3g61 h HIS 932 CO -0.67 -0.41 0.00 0.28 -0.00 0.00 0.00 177.93 177.12 3g61 n VAL 933 N -5.42 0.00 -0.15 5.26 0.31 0.47 0.45 118.33 119.26 3g61 n VAL 933 Ca 0.02 0.71 -0.01 0.00 -0.01 0.00 0.00 64.34 65.05 3g61 n VAL 933 Cb 0.35 -1.13 0.01 0.00 -0.91 0.00 0.00 33.84 32.16 3g61 n VAL 933 CO 0.00 0.00 0.00 0.49 -1.32 0.00 0.00 176.83 176.00 3g61 n PHE 934 N -0.64 -0.02 0.00 3.52 3.01 -0.64 -0.03 117.46 122.66 3g61 n PHE 934 Ca 0.00 0.48 0.00 0.00 1.01 0.00 0.00 57.45 58.94 3g61 n PHE 934 Cb 0.00 -0.63 0.00 0.00 -0.01 0.00 0.00 39.48 38.84 3g61 n PHE 934 CO 0.00 0.00 0.00 0.41 1.01 0.00 0.00 176.76 178.18 3g61 n GLY 935 N -1.17 -2.84 0.38 1.37 0.00 0.17 -0.11 105.19 102.99 3g61 n GLY 935 Ca 0.03 0.61 -0.01 0.00 0.00 0.00 0.00 46.02 46.65 3g61 n GLY 935 CO 0.00 0.00 0.00 1.19 0.00 0.00 0.00 173.32 174.51 3g61 h ILE 936 N 0.00 0.03 -0.16 -0.61 6.09 0.57 -0.81 117.51 122.62 3g61 h ILE 936 Ca 0.00 0.00 0.02 0.00 -1.37 0.00 0.00 64.86 63.51 3g61 h ILE 936 Cb 0.00 0.03 -0.03 0.00 0.47 0.00 0.00 36.82 37.29 3g61 h ILE 936 CO 0.00 0.00 -0.21 0.71 -3.07 0.00 0.00 178.15 175.58 3g61 h THR 937 N -0.02 0.00 -0.32 2.19 1.35 0.04 -0.50 112.91 115.65 3g61 h THR 937 Ca 0.34 0.00 0.04 0.00 -0.55 0.00 0.00 66.41 66.24 3g61 h THR 937 Cb 0.60 0.00 -0.06 0.00 -1.73 0.00 0.00 68.15 66.96 3g61 h THR 937 CO -0.95 0.00 -0.40 0.15 -0.25 0.00 0.00 175.52 174.07 3g61 h PHE 938 N -0.14 -1.23 -1.30 4.73 -0.00 0.85 -0.38 116.94 119.47 3g61 h PHE 938 Ca 0.03 0.06 0.38 0.00 -0.00 0.00 0.00 57.97 58.44 3g61 h PHE 938 Cb 0.21 0.58 -0.08 0.00 -0.00 0.00 0.00 35.95 36.66 3g61 h PHE 938 CO -0.66 -0.35 0.89 0.66 -0.00 0.00 0.00 178.31 178.85 3g61 h SER 939 N -0.27 0.16 0.52 0.41 4.64 -0.88 1.24 113.55 119.37 3g61 h SER 939 Ca 0.06 0.05 -0.16 0.00 -0.47 0.00 0.00 61.79 61.27 3g61 h SER 939 Cb 0.42 0.03 -0.01 0.00 -0.31 0.00 0.00 62.40 62.53 3g61 h SER 939 CO -0.44 -0.02 -0.69 0.15 -0.87 0.00 0.00 176.83 174.96 3g61 h PHE 940 N 0.11 0.20 0.24 4.77 3.04 0.58 -1.54 116.94 124.36 3g61 h PHE 940 Ca 0.68 -0.09 -0.01 0.00 3.98 0.00 0.00 57.97 62.53 3g61 h PHE 940 Cb 2.38 -0.03 0.00 0.00 2.56 0.00 0.00 35.95 40.86 3g61 h PHE 940 CO -0.00 0.79 -0.12 1.15 -2.02 0.00 0.00 178.31 178.11 3g61 h THR 941 N 0.10 0.75 -0.93 4.41 2.02 0.22 -1.35 112.91 118.13 3g61 h THR 941 Ca -0.02 0.00 0.05 0.00 0.77 0.00 0.00 66.41 67.21 3g61 h THR 941 Cb 1.23 0.75 -0.06 0.00 -1.74 0.00 0.00 68.15 68.33 3g61 h THR 941 CO 0.10 0.00 0.60 1.56 0.37 0.00 0.00 175.52 178.15 3g61 h GLN 942 N -0.34 1.09 0.08 6.66 1.08 -1.30 -1.81 115.11 120.57 3g61 h GLN 942 Ca -0.03 -0.07 0.01 0.00 -1.45 0.00 0.00 58.65 57.12 3g61 h GLN 942 Cb 0.26 -0.25 -0.04 0.00 -0.05 0.00 0.00 27.48 27.41 3g61 h GLN 942 CO 0.05 0.72 -0.44 0.00 -0.95 0.00 0.00 178.83 178.21 3g61 h ALA 943 N 1.41 -0.91 -0.59 3.87 0.00 -0.72 0.84 119.26 123.15 3g61 h ALA 943 Ca 0.39 -0.09 0.17 0.00 0.00 0.00 0.00 54.91 55.38 3g61 h ALA 943 Cb 0.09 0.84 -0.02 0.00 0.00 0.00 0.00 17.79 18.70 3g61 h ALA 943 CO -0.15 -1.03 0.51 0.52 0.00 0.00 0.00 179.25 179.10 3g61 h MET 944 N -0.61 0.00 0.00 0.00 2.86 -0.88 -1.22 114.93 115.07 3g61 h MET 944 Ca -0.00 0.00 0.00 0.00 -2.06 0.00 0.00 59.70 57.64 3g61 h MET 944 Cb 0.62 0.00 0.00 0.00 0.06 0.00 0.00 31.60 32.28 3g61 h MET 944 CO -0.25 0.00 0.00 -0.12 1.06 0.00 0.00 176.91 177.60 3g61 n MET 945 N -3.98 0.00 -0.34 1.72 0.00 0.28 -1.67 117.12 113.14 3g61 n MET 945 Ca 0.11 0.00 0.10 0.00 0.00 0.00 0.00 57.70 57.92 3g61 n MET 945 Cb 0.74 -0.88 0.28 0.00 0.00 0.00 0.00 33.22 33.35 3g61 n MET 945 CO 0.00 0.00 0.00 0.10 0.00 0.00 0.00 175.97 176.07 3g61 h TYR 946 N 0.00 0.99 0.00 1.12 -0.00 -1.32 -2.50 116.97 115.26 3g61 h TYR 946 Ca 0.00 0.03 0.00 0.00 -0.00 0.00 0.00 58.73 58.76 3g61 h TYR 946 Cb 0.00 -0.30 0.00 0.00 -0.00 0.00 0.00 36.73 36.43 3g61 h TYR 946 CO 0.00 0.25 0.00 1.19 -0.00 0.00 0.00 178.16 179.60 3g61 n PHE 947 N -4.78 0.00 -0.46 0.10 0.99 -0.47 -0.82 117.46 112.03 3g61 n PHE 947 Ca 0.21 0.00 0.39 0.00 -0.00 0.00 0.00 57.45 58.05 3g61 n PHE 947 Cb 0.50 -0.01 0.72 0.00 -1.00 0.00 0.00 39.48 39.69 3g61 n PHE 947 CO 0.00 0.00 0.00 0.77 -0.00 0.00 0.00 176.76 177.53 3g61 h SER 948 N 0.00 0.11 1.57 4.37 0.02 -1.10 0.13 113.55 118.65 3g61 h SER 948 Ca 0.00 0.04 0.00 0.00 -0.84 0.00 0.00 61.79 60.99 3g61 h SER 948 Cb 0.00 0.03 0.00 0.00 0.14 0.00 0.00 62.40 62.57 3g61 h SER 948 CO 0.00 -0.03 -0.40 1.88 -1.14 0.00 0.00 176.83 177.13 3g61 h TYR 949 N 0.07 0.00 0.00 3.45 -1.99 -0.93 -1.76 116.97 115.81 3g61 h TYR 949 Ca 0.73 0.00 -0.04 0.00 2.00 0.00 0.00 58.73 61.42 3g61 h TYR 949 Cb 2.65 0.00 -0.01 0.00 2.00 0.00 0.00 36.73 41.38 3g61 h TYR 949 CO -0.00 0.00 -0.25 0.00 -0.00 0.00 0.00 178.16 177.90 3g61 h ALA 950 N 2.03 0.05 -0.92 3.88 0.00 0.13 -2.01 119.26 122.41 3g61 h ALA 950 Ca 0.00 -0.50 0.00 0.00 0.00 0.00 0.00 54.91 54.41 3g61 h ALA 950 Cb 0.99 0.17 -0.04 0.00 0.00 0.00 0.00 17.79 18.90 3g61 h ALA 950 CO 0.00 0.16 0.59 0.00 0.00 0.00 0.00 179.25 180.00 3g61 h ALA 951 N -0.40 1.16 0.05 0.00 0.00 -1.45 0.49 119.26 119.12 3g61 h ALA 951 Ca -0.06 -0.08 -0.00 0.00 0.00 0.00 0.00 54.91 54.77 3g61 h ALA 951 Cb 0.78 -0.37 -0.00 0.00 0.00 0.00 0.00 17.79 18.19 3g61 h ALA 951 CO -0.04 0.58 -0.03 0.00 0.00 0.00 0.00 179.25 179.77 3g61 h PHE 953 N -0.08 1.04 0.63 0.00 -0.00 -1.06 -1.76 116.94 115.71 3g61 h PHE 953 Ca -0.00 -0.27 -0.03 0.00 -0.00 0.00 0.00 57.97 57.67 3g61 h PHE 953 Cb 0.07 -0.23 0.01 0.00 -0.00 0.00 0.00 35.95 35.79 3g61 h PHE 953 CO -0.08 1.06 -0.30 -0.09 -0.00 0.00 0.00 178.31 178.89 3g61 h ARG 954 N 0.76 -0.82 -0.77 1.11 1.12 -0.84 -1.71 114.38 113.23 3g61 h ARG 954 Ca 0.09 0.06 0.13 0.00 -1.11 0.00 0.00 59.98 59.14 3g61 h ARG 954 Cb 0.85 0.19 -0.05 0.00 -0.01 0.00 0.00 29.97 30.94 3g61 h ARG 954 CO 0.07 -0.53 0.51 0.35 -3.11 0.00 0.00 179.97 177.26 3g61 h PHE 955 N -0.91 0.60 0.00 2.20 -0.00 -1.31 -1.80 116.94 115.72 3g61 h PHE 955 Ca -0.09 0.02 0.00 0.00 -0.00 0.00 0.00 57.97 57.90 3g61 h PHE 955 Cb 0.67 -0.19 0.00 0.00 -0.00 0.00 0.00 35.95 36.43 3g61 h PHE 955 CO -0.02 0.24 0.00 0.41 -0.00 0.00 0.00 178.31 178.94 3g61 n GLY 956 N -1.49 -2.55 0.56 2.40 0.00 -0.66 -2.50 105.19 100.94 3g61 n GLY 956 Ca 0.14 0.04 0.35 0.00 0.00 0.00 0.00 46.02 46.54 3g61 n GLY 956 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3g61 h ALA 957 N -1.95 3.10 -0.42 4.61 0.00 -0.95 -3.44 119.26 120.22 3g61 h ALA 957 Ca 0.00 -0.04 -0.31 0.00 0.00 0.00 0.00 54.91 54.56 3g61 h ALA 957 Cb 0.00 0.09 0.03 0.00 0.00 0.00 0.00 17.79 17.92 3g61 h ALA 957 CO 0.00 -1.73 -0.10 0.98 0.00 0.00 0.00 179.25 178.39 3g61 n TYR 958 N -3.62 0.03 -3.10 0.00 9.36 -0.71 -3.91 117.16 115.21 3g61 n TYR 958 Ca 0.27 0.43 -0.00 0.00 3.32 0.00 0.00 57.90 61.92 3g61 n TYR 958 Cb 1.49 -0.86 -0.00 0.00 -0.63 0.00 0.00 39.34 39.34 3g61 n TYR 958 CO 0.00 0.00 0.00 -0.11 0.22 0.00 0.00 176.86 176.97 3g61 n LEU 959 N 0.75 -4.30 -2.61 2.98 0.00 -1.26 -4.72 117.00 107.83 3g61 n LEU 959 Ca 0.08 0.68 -0.11 0.00 0.00 0.00 0.00 56.01 56.66 3g61 n LEU 959 Cb 0.07 -1.78 0.03 0.00 0.00 0.00 0.00 43.42 41.74 3g61 n LEU 959 CO 0.25 -1.98 -0.00 1.33 0.00 0.00 0.00 177.39 176.99 3g61 n VAL 960 N 1.53 1.46 -3.20 1.96 0.24 -1.25 -4.33 118.33 114.73 3g61 n VAL 960 Ca -0.01 -3.44 -0.45 0.00 -2.04 0.00 0.00 64.34 58.40 3g61 n VAL 960 Cb 0.35 0.35 -0.05 0.00 -1.47 0.00 0.00 33.84 33.01 3g61 n VAL 960 CO 0.00 0.00 0.00 -0.89 -2.14 0.00 0.00 176.83 173.80 3g61 s THR 961 N -3.88 4.96 0.00 3.34 2.01 -1.26 -3.84 115.64 116.98 3g61 s THR 961 Ca 0.33 -0.98 0.00 0.00 0.31 0.00 0.00 61.69 61.35 3g61 s THR 961 Cb 0.40 -4.37 0.00 0.00 0.01 0.00 0.00 72.50 68.55 3g61 s THR 961 CO -0.02 -0.92 0.00 1.67 -0.69 0.00 0.00 174.62 174.65 3g61 n GLN 962 N 5.93 0.00 -0.47 4.92 7.27 -1.06 -4.35 117.38 129.62 3g61 n GLN 962 Ca -0.10 0.22 0.00 0.00 0.07 0.00 0.00 57.00 57.19 3g61 n GLN 962 Cb 0.43 -3.27 0.00 0.00 2.41 0.00 0.00 30.24 29.81 3g61 n GLN 962 CO 0.00 0.00 0.00 1.04 0.07 0.00 0.00 177.06 178.17 3g61 n GLN 963 N -2.94 0.00 -0.98 3.69 6.02 -1.26 -4.88 117.38 117.03 3g61 n GLN 963 Ca 0.00 0.00 -0.31 0.00 -0.01 0.00 0.00 57.00 56.68 3g61 n GLN 963 Cb 0.00 -0.51 0.26 0.00 1.02 0.00 0.00 30.24 31.01 3g61 n GLN 963 CO 0.00 0.00 0.00 -0.11 -1.01 0.00 0.00 177.06 175.94 3g61 n LEU 964 N -0.14 0.00 -1.85 1.08 -0.00 -1.26 -4.83 117.00 110.00 3g61 n LEU 964 Ca 0.00 -1.15 -0.00 0.00 -0.00 0.00 0.00 56.01 54.86 3g61 n LEU 964 Cb 0.10 -1.02 -0.00 0.00 -0.00 0.00 0.00 43.42 42.50 3g61 n LEU 964 CO 0.00 -2.26 0.32 0.23 -0.00 0.00 0.00 177.39 175.69 3g61 n MET 965 N -5.01 0.32 -3.63 1.96 2.81 -1.26 -4.44 117.12 107.87 3g61 n MET 965 Ca 0.15 -0.00 -0.29 0.00 -1.81 0.00 0.00 57.70 55.75 3g61 n MET 965 Cb 0.60 -1.34 -0.15 0.00 -0.71 0.00 0.00 33.22 31.61 3g61 n MET 965 CO 0.00 0.00 0.00 0.95 1.51 0.00 0.00 175.97 178.43 3g61 s THR 966 N 1.37 0.35 0.00 2.03 -4.23 -1.26 -5.05 115.64 108.85 3g61 s THR 966 Ca 0.00 -0.98 0.00 0.00 -1.18 0.00 0.00 61.69 59.53 3g61 s THR 966 Cb 0.00 -1.25 0.00 0.00 1.34 0.00 0.00 72.50 72.59 3g61 s THR 966 CO 0.00 -0.66 0.00 2.22 -0.54 0.00 0.00 174.62 175.64 3g61 n PHE 967 N 5.08 0.00 0.14 3.99 1.16 -1.26 -4.84 117.46 121.72 3g61 n PHE 967 Ca -0.05 0.00 0.01 0.00 -1.87 0.00 0.00 57.45 55.54 3g61 n PHE 967 Cb 0.43 0.00 0.14 0.00 -1.61 0.00 0.00 39.48 38.44 3g61 n PHE 967 CO 0.00 0.00 0.00 1.49 -1.87 0.00 0.00 176.76 176.38 3g61 h GLU 968 N 0.00 0.00 0.00 3.97 4.22 -1.97 -3.35 114.58 117.45 3g61 h GLU 968 Ca 0.00 0.00 0.00 0.00 0.08 0.00 0.00 59.36 59.44 3g61 h GLU 968 Cb 0.00 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.25 3g61 h GLU 968 CO 0.00 0.59 0.82 -2.95 -2.18 0.00 0.00 179.01 175.29 3g61 h ASN 969 N 0.00 0.00 -1.01 1.04 -0.00 -1.96 -1.48 115.58 112.16 3g61 h ASN 969 Ca -0.01 0.00 0.28 0.00 -0.00 0.00 0.00 56.30 56.58 3g61 h ASN 969 Cb 1.22 0.00 -0.05 0.00 -0.00 0.00 0.00 38.32 39.48 3g61 h ASN 969 CO 0.08 0.00 0.71 -0.37 -0.00 0.00 0.00 177.43 177.85 3g61 h VAL 970 N 0.00 0.51 0.00 6.14 -1.51 -2.00 1.96 116.25 121.35 3g61 h VAL 970 Ca 0.00 -0.03 -0.05 0.00 -1.23 0.00 0.00 66.70 65.39 3g61 h VAL 970 Cb 1.63 0.41 -0.01 0.00 -2.13 0.00 0.00 31.29 31.20 3g61 h VAL 970 CO 0.00 0.02 -0.22 -0.07 -1.23 0.00 0.00 177.57 176.07 3g61 h LEU 971 N 0.09 0.00 -1.33 4.19 -0.00 -1.61 1.07 115.31 117.72 3g61 h LEU 971 Ca 0.50 0.00 -0.04 0.00 -0.00 0.00 0.00 57.88 58.34 3g61 h LEU 971 Cb 1.82 0.00 -0.01 0.00 -0.00 0.00 0.00 40.66 42.47 3g61 h LEU 971 CO -0.06 0.22 -0.21 -0.07 -0.00 0.00 0.00 178.44 178.31 3g61 h LEU 972 N 0.00 0.00 -0.15 1.67 4.07 0.29 0.13 115.31 121.32 3g61 h LEU 972 Ca -0.00 0.00 -0.01 0.00 0.08 0.00 0.00 57.88 57.94 3g61 h LEU 972 Cb 0.41 0.00 -0.01 0.00 1.08 0.00 0.00 40.66 42.14 3g61 h LEU 972 CO 0.03 0.21 0.04 0.58 -1.08 0.00 0.00 178.44 178.21 3g61 h VAL 973 N 0.00 1.20 -1.09 1.22 2.07 0.18 0.07 116.25 119.89 3g61 h VAL 973 Ca -0.00 -0.63 0.34 0.00 0.82 0.00 0.00 66.70 67.23 3g61 h VAL 973 Cb 0.64 1.34 -0.13 0.00 -1.52 0.00 0.00 31.29 31.62 3g61 h VAL 973 CO 0.03 0.19 0.66 0.15 0.02 0.00 0.00 177.57 178.62 3g61 h PHE 974 N 0.04 0.78 0.00 1.57 -0.00 -0.10 -0.94 116.94 118.29 3g61 h PHE 974 Ca 0.05 0.03 0.00 0.00 -0.00 0.00 0.00 57.97 58.05 3g61 h PHE 974 Cb 0.26 -0.21 0.00 0.00 -0.00 0.00 0.00 35.95 36.00 3g61 h PHE 974 CO 0.01 -0.14 0.00 0.43 -0.00 0.00 0.00 178.31 178.61 3g61 n SER 975 N -4.88 0.00 -0.31 0.41 7.64 -0.03 -0.91 113.62 115.53 3g61 n SER 975 Ca 0.32 0.53 0.15 0.00 1.01 0.00 0.00 58.87 60.87 3g61 n SER 975 Cb 1.08 -0.03 0.33 0.00 -1.01 0.00 0.00 64.21 64.58 3g61 n SER 975 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 3g61 h ALA 976 N -1.99 1.46 0.41 -0.43 0.00 -0.85 -1.61 119.26 116.26 3g61 h ALA 976 Ca 0.00 0.19 -0.02 0.00 0.00 0.00 0.00 54.91 55.08 3g61 h ALA 976 Cb 0.00 0.21 0.00 0.00 0.00 0.00 0.00 17.79 18.00 3g61 h ALA 976 CO 0.00 -0.42 -0.20 0.82 0.00 0.00 0.00 179.25 179.45 3g61 h ILE 977 N 0.32 0.00 0.00 0.00 1.08 -1.18 -2.21 117.51 115.52 3g61 h ILE 977 Ca 0.59 -0.02 0.00 0.00 -0.39 0.00 0.00 64.86 65.04 3g61 h ILE 977 Cb 1.18 0.00 0.00 0.00 -3.07 0.00 0.00 36.82 34.93 3g61 h ILE 977 CO -0.59 0.00 0.15 1.62 -0.69 0.00 0.00 178.15 178.64 3g61 h VAL 978 N -0.57 0.00 -0.13 1.67 3.04 -0.79 1.22 116.25 120.69 3g61 h VAL 978 Ca -0.06 0.00 -0.19 0.00 -1.01 0.00 0.00 66.70 65.45 3g61 h VAL 978 Cb 0.42 0.49 -0.00 0.00 -2.01 0.00 0.00 31.29 30.19 3g61 h VAL 978 CO 0.09 0.00 -0.69 -0.26 -1.01 0.00 0.00 177.57 175.71 3g61 h PHE 979 N 0.00 0.71 -0.55 3.17 0.04 -0.88 0.27 116.94 119.71 3g61 h PHE 979 Ca 0.00 -0.30 0.02 0.00 2.80 0.00 0.00 57.97 60.49 3g61 h PHE 979 Cb 0.30 -0.12 -0.03 0.00 2.20 0.00 0.00 35.95 38.30 3g61 h PHE 979 CO 0.00 1.06 0.34 0.78 -0.60 0.00 0.00 178.31 179.90 3g61 h GLY 980 N 1.06 0.77 2.00 -1.45 0.00 0.21 0.31 103.07 105.96 3g61 h GLY 980 Ca -0.02 -0.26 0.00 0.00 0.00 0.00 0.00 47.33 47.04 3g61 h GLY 980 CO 0.13 0.24 0.00 0.00 0.00 0.00 0.00 176.54 176.91 3g61 h ALA 981 N 1.22 1.00 0.00 3.60 0.00 -0.51 0.01 119.26 124.59 3g61 h ALA 981 Ca 0.21 0.00 -0.00 0.00 0.00 0.00 0.00 54.91 55.12 3g61 h ALA 981 Cb -0.02 0.00 0.00 0.00 0.00 0.00 0.00 17.79 17.77 3g61 h ALA 981 CO -0.07 0.00 -0.01 1.98 0.00 0.00 0.00 179.25 181.15 3g61 h MET 982 N 0.00 0.00 -0.58 0.00 -1.53 0.31 -1.78 114.93 111.36 3g61 h MET 982 Ca 0.00 -0.01 0.11 0.00 -3.44 0.00 0.00 59.70 56.36 3g61 h MET 982 Cb 0.00 0.00 -0.08 0.00 -0.55 0.00 0.00 31.60 30.97 3g61 h MET 982 CO 0.00 0.90 0.11 0.00 0.14 0.00 0.00 176.91 178.06 3g61 h ALA 983 N 0.10 0.66 -0.27 0.39 0.00 0.53 0.14 119.26 120.82 3g61 h ALA 983 Ca -0.00 0.13 -0.04 0.00 0.00 0.00 0.00 54.91 55.00 3g61 h ALA 983 Cb 0.91 0.19 -0.01 0.00 0.00 0.00 0.00 17.79 18.87 3g61 h ALA 983 CO 0.00 -0.32 0.00 0.28 0.00 0.00 0.00 179.25 179.22 3g61 h VAL 984 N 0.24 1.16 -0.26 0.00 2.07 -1.39 -0.19 116.25 117.88 3g61 h VAL 984 Ca 0.30 -0.63 0.00 0.00 0.82 0.00 0.00 66.70 67.19 3g61 h VAL 984 Cb 0.44 0.96 -0.01 0.00 -1.52 0.00 0.00 31.29 31.16 3g61 h VAL 984 CO -0.40 0.21 0.17 1.23 0.02 0.00 0.00 177.57 178.81 3g61 h GLY 985 N 0.70 0.37 0.11 2.17 0.00 0.18 -2.04 103.07 104.56 3g61 h GLY 985 Ca 0.09 -0.14 -0.01 0.00 0.00 0.00 0.00 47.33 47.28 3g61 h GLY 985 CO 0.01 0.13 -0.05 1.46 0.00 0.00 0.00 176.54 178.09 3g61 h GLN 986 N 0.35 -0.14 0.00 4.80 7.50 -0.30 -2.01 115.11 125.32 3g61 h GLN 986 Ca 0.10 0.01 0.00 0.00 0.50 0.00 0.00 58.65 59.26 3g61 h GLN 986 Cb -0.04 0.03 0.00 0.00 0.05 0.00 0.00 27.48 27.52 3g61 h GLN 986 CO -0.02 -0.09 0.00 1.55 -1.50 0.00 0.00 178.83 178.77 3g61 n VAL 987 N -4.52 0.00 -0.02 -0.54 3.14 -0.75 -1.01 118.33 114.63 3g61 n VAL 987 Ca -0.02 0.00 0.01 0.00 -2.96 0.00 0.00 64.34 61.37 3g61 n VAL 987 Cb 0.06 -0.91 -0.07 0.00 -1.06 0.00 0.00 33.84 31.86 3g61 n VAL 987 CO 0.00 0.00 0.00 -0.24 -6.46 0.00 0.00 176.83 170.13 3g61 n SER 988 N -0.98 2.94 0.00 6.55 2.88 -0.77 -4.97 113.62 119.28 3g61 n SER 988 Ca 0.03 0.00 0.00 0.00 -1.33 0.00 0.00 58.87 57.57 3g61 n SER 988 Cb 0.01 1.11 0.00 0.00 -0.75 0.00 0.00 64.21 64.59 3g61 n SER 988 CO 0.00 0.00 0.00 -1.20 -1.23 0.00 0.00 175.04 172.61 3g61 n SER 989 N -2.02 0.00 0.00 -3.46 7.64 -0.18 -5.07 113.62 110.53 3g61 n SER 989 Ca -0.07 0.00 0.00 0.00 1.01 0.00 0.00 58.87 59.81 3g61 n SER 989 Cb 0.46 0.00 0.00 0.00 -1.01 0.00 0.00 64.21 63.66 3g61 n SER 989 CO 0.00 0.00 0.00 0.49 -3.01 0.00 0.00 175.04 172.52 3g61 n PHE 990 N 0.00 0.00 -0.60 1.43 3.01 -1.26 -4.76 117.46 115.28 3g61 n PHE 990 Ca 0.00 0.00 -0.23 0.00 1.01 0.00 0.00 57.45 58.23 3g61 n PHE 990 Cb 0.00 0.00 0.02 0.00 -0.01 0.00 0.00 39.48 39.49 3g61 n PHE 990 CO 0.00 0.00 0.00 0.00 1.01 0.00 0.00 176.76 177.77 3g61 n ALA 991 N 0.72 -3.75 -0.60 4.37 0.00 -1.26 -4.86 120.51 115.13 3g61 n ALA 991 Ca 0.00 -0.70 -0.30 0.00 0.00 0.00 0.00 53.44 52.44 3g61 n ALA 991 Cb 0.00 -0.54 0.21 0.00 0.00 0.00 0.00 19.45 19.12 3g61 n ALA 991 CO 0.00 0.00 0.00 -1.25 0.00 0.00 0.00 177.50 176.25 3g61 s PRO 992 N -1.20 -0.02 0.00 0.00 0.04 -1.26 -4.70 135.00 127.86 3g61 s PRO 992 Ca 0.22 1.20 0.00 0.00 0.04 0.00 0.00 61.00 62.47 3g61 s PRO 992 Cb 0.01 -1.63 0.00 0.00 0.04 0.00 0.00 34.50 32.92 3g61 s PRO 992 CO 0.43 -3.23 0.00 -0.25 0.04 0.00 0.00 177.00 173.99 3g61 n ASP 993 N -4.61 0.00 0.00 6.66 8.00 -1.26 -4.67 116.55 120.66 3g61 n ASP 993 Ca 0.07 0.00 0.00 0.00 0.71 0.00 0.00 54.79 55.57 3g61 n ASP 993 Cb 0.53 0.00 0.00 0.00 -0.02 0.00 0.00 41.12 41.63 3g61 n ASP 993 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 3g61 n TYR 994 N 0.22 0.00 0.00 1.24 4.19 -1.26 -4.75 117.16 116.80 3g61 n TYR 994 Ca 0.00 0.00 0.00 0.00 3.31 0.00 0.00 57.90 61.21 3g61 n TYR 994 Cb 0.00 -0.36 0.00 0.00 0.49 0.00 0.00 39.34 39.47 3g61 n TYR 994 CO 0.00 0.00 0.00 0.00 0.91 0.00 0.00 176.86 177.77 3g61 n ALA 995 N 0.71 -0.07 0.28 2.98 0.00 -1.26 -1.56 120.51 121.59 3g61 n ALA 995 Ca 0.00 0.00 0.13 0.00 0.00 0.00 0.00 53.44 53.57 3g61 n ALA 995 Cb 0.00 0.08 0.83 0.00 0.00 0.00 0.00 19.45 20.36 3g61 n ALA 995 CO 0.00 0.00 0.00 1.57 0.00 0.00 0.00 177.50 179.07 3g61 h LYS 996 N 0.00 0.00 -0.67 0.00 -0.00 -1.95 0.22 116.57 114.16 3g61 h LYS 996 Ca 0.00 0.00 -0.05 0.00 -0.00 0.00 0.00 60.65 60.60 3g61 h LYS 996 Cb 0.00 0.00 -0.03 0.00 -0.00 0.00 0.00 32.23 32.20 3g61 h LYS 996 CO 0.00 0.04 0.23 0.00 -0.00 0.00 0.00 179.45 179.72 3g61 h ALA 997 N 1.96 1.14 -0.07 0.07 0.00 -1.86 -1.44 119.26 119.07 3g61 h ALA 997 Ca -0.00 -0.20 -0.03 0.00 0.00 0.00 0.00 54.91 54.69 3g61 h ALA 997 Cb 0.09 -0.27 -0.00 0.00 0.00 0.00 0.00 17.79 17.61 3g61 h ALA 997 CO 0.00 0.60 -0.07 1.15 0.00 0.00 0.00 179.25 180.94 3g61 h THR 998 N 0.99 1.37 0.00 0.00 2.02 0.05 -1.56 112.91 115.78 3g61 h THR 998 Ca 0.22 -1.23 0.00 0.00 0.77 0.00 0.00 66.41 66.17 3g61 h THR 998 Cb 0.24 2.05 0.00 0.00 -1.74 0.00 0.00 68.15 68.70 3g61 h THR 998 CO -0.01 0.34 0.00 0.52 0.37 0.00 0.00 175.52 176.74 3g61 n VAL 999 N -4.71 0.00 -0.38 3.16 0.31 -0.62 0.98 118.33 117.07 3g61 n VAL 999 Ca -0.07 1.45 0.37 0.00 -0.01 0.00 0.00 64.34 66.08 3g61 n VAL 999 Cb 0.30 -2.24 0.74 0.00 -0.91 0.00 0.00 33.84 31.73 3g61 n VAL 999 CO 0.00 0.00 0.00 0.28 -1.32 0.00 0.00 176.83 175.79 3g61 h SER 1000N 0.00 0.05 0.32 4.52 0.02 -1.37 0.30 113.55 117.40 3g61 h SER 1000Ca 0.00 0.01 -0.02 0.00 -0.84 0.00 0.00 61.79 60.95 3g61 h SER 1000Cb 0.00 0.01 0.00 0.00 0.14 0.00 0.00 62.40 62.55 3g61 h SER 1000CO 0.00 0.00 -0.15 0.00 -1.14 0.00 0.00 176.83 175.54 3g61 h ALA 1001N 1.38 -0.43 -0.45 3.77 0.00 -0.03 -1.68 119.26 121.82 3g61 h ALA 1001Ca 0.63 -0.19 0.08 0.00 0.00 0.00 0.00 54.91 55.43 3g61 h ALA 1001Cb 2.41 0.17 -0.10 0.00 0.00 0.00 0.00 17.79 20.27 3g61 h ALA 1001CO -0.05 -0.49 -0.36 1.03 0.00 0.00 0.00 179.25 179.37 3g61 h SER 1002N -0.93 -1.21 -0.03 0.00 0.87 0.41 -0.73 113.55 111.93 3g61 h SER 1002Ca -0.04 0.21 0.01 0.00 -1.23 0.00 0.00 61.79 60.74 3g61 h SER 1002Cb 0.52 0.56 -0.03 0.00 -0.44 0.00 0.00 62.40 63.01 3g61 h SER 1002CO 0.07 -0.33 -0.28 0.45 -0.53 0.00 0.00 176.83 176.21 3g61 h HIS 1003N -0.26 -0.82 -1.01 2.24 3.86 -0.92 -1.48 115.15 116.77 3g61 h HIS 1003Ca 0.17 0.03 0.29 0.00 -1.16 0.00 0.00 60.37 59.70 3g61 h HIS 1003Cb 0.56 0.36 -0.04 0.00 1.06 0.00 0.00 27.41 29.34 3g61 h HIS 1003CO -0.59 -0.29 0.72 0.97 0.86 0.00 0.00 177.93 179.61 3g61 h ILE 1004N -0.32 0.50 0.00 2.45 2.10 -0.90 -1.39 117.51 119.95 3g61 h ILE 1004Ca 0.01 -0.01 0.00 0.00 1.08 0.00 0.00 64.86 65.94 3g61 h ILE 1004Cb 0.36 0.48 0.00 0.00 -1.09 0.00 0.00 36.82 36.57 3g61 h ILE 1004CO -0.20 0.00 0.00 -0.38 -1.08 0.00 0.00 178.15 176.49 3g61 n ILE 1005N -4.25 0.00 -0.26 2.19 5.41 -0.32 -1.68 119.36 120.45 3g61 n ILE 1005Ca 0.21 0.81 0.24 0.00 1.00 0.00 0.00 62.75 65.01 3g61 n ILE 1005Cb 1.06 -1.67 0.44 0.00 -0.71 0.00 0.00 39.64 38.76 3g61 n ILE 1005CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 176.55 175.41 3g61 n ARG 1006N -1.62 -0.05 0.32 0.38 0.63 -0.68 0.24 116.66 115.88 3g61 n ARG 1006Ca 0.00 1.14 -0.13 0.00 -0.92 0.00 0.00 57.85 57.94 3g61 n ARG 1006Cb 0.00 -2.01 -0.06 0.00 0.45 0.00 0.00 32.46 30.84 3g61 n ARG 1006CO 0.00 0.00 0.00 0.82 -2.51 0.00 0.00 177.63 175.94 3g61 h ILE 1007N 0.00 0.00 -0.62 5.15 1.08 -1.32 -2.35 117.51 119.45 3g61 h ILE 1007Ca 0.66 -0.15 0.18 0.00 -0.39 0.00 0.00 64.86 65.15 3g61 h ILE 1007Cb 1.70 0.00 -0.03 0.00 -3.07 0.00 0.00 36.82 35.42 3g61 h ILE 1007CO -0.65 0.00 0.44 -0.29 -0.69 0.00 0.00 178.15 176.96 3g61 h ILE 1008N -0.99 0.70 0.55 -0.67 2.10 0.71 -0.78 117.51 119.13 3g61 h ILE 1008Ca -0.09 -0.00 -0.02 0.00 1.08 0.00 0.00 64.86 65.83 3g61 h ILE 1008Cb 0.64 0.68 -0.01 0.00 -1.09 0.00 0.00 36.82 37.05 3g61 h ILE 1008CO 0.14 0.00 -0.38 -0.33 -1.08 0.00 0.00 178.15 176.51 3g61 h GLU 1009N 0.01 -0.85 0.00 2.19 4.39 -0.65 -3.46 114.58 116.22 3g61 h GLU 1009Ca 0.29 0.06 0.00 0.00 0.34 0.00 0.00 59.36 60.05 3g61 h GLU 1009Cb 1.16 0.19 0.00 0.00 -0.10 0.00 0.00 28.75 30.01 3g61 h GLU 1009CO -0.01 -0.57 0.00 0.36 -1.16 0.00 0.00 179.01 177.64 3g61 n LYS 1010N -4.74 0.00 -2.73 2.33 2.85 -0.30 -4.73 118.16 110.85 3g61 n LYS 1010Ca -0.11 0.00 -0.04 0.00 -1.05 0.00 0.00 58.31 57.11 3g61 n LYS 1010Cb 0.37 0.00 0.03 0.00 -0.65 0.00 0.00 35.03 34.78 3g61 n LYS 1010CO 0.00 0.00 0.00 -2.37 -0.05 0.00 0.00 177.40 174.98 3g61 n THR 1011N -0.03 0.00 0.00 0.58 5.66 -1.26 -5.07 114.28 114.16 3g61 n THR 1011Ca 0.00 -0.82 0.00 0.00 -3.05 0.00 0.00 64.05 60.18 3g61 n THR 1011Cb 0.00 0.96 0.00 0.00 -1.55 0.00 0.00 70.33 69.74 3g61 n THR 1011CO 0.00 0.00 0.00 -2.65 -3.05 0.00 0.00 175.07 169.37 3g61 n PRO 1012N 2.56 0.00 0.00 1.09 -0.02 -1.26 -4.83 135.00 132.53 3g61 n PRO 1012Ca 0.14 0.00 0.00 0.00 -2.02 0.00 0.00 63.50 61.62 3g61 n PRO 1012Cb 0.61 0.00 0.00 0.00 -0.02 0.00 0.00 33.50 34.09 3g61 n PRO 1012CO 0.00 0.00 0.00 -1.91 1.98 0.00 0.00 175.50 175.57 3g61 n GLU 1013N -0.14 0.00 -3.15 -0.52 0.00 -1.26 -4.27 120.64 111.29 3g61 n GLU 1013Ca 0.00 0.00 0.06 0.00 0.00 0.00 0.00 57.16 57.22 3g61 n GLU 1013Cb 0.00 0.00 -0.01 0.00 0.00 0.00 0.00 31.44 31.43 3g61 n GLU 1013CO 0.00 0.00 0.00 0.96 0.00 0.00 0.00 177.13 178.09 3g61 s ILE 1014N -2.71 -0.07 0.00 6.31 -5.25 -1.26 -5.09 121.20 113.13 3g61 s ILE 1014Ca 0.00 0.00 0.00 0.00 -0.99 0.00 0.00 60.65 59.66 3g61 s ILE 1014Cb 0.00 -0.41 0.00 0.00 2.95 0.00 0.00 42.46 45.00 3g61 s ILE 1014CO 0.00 0.00 0.00 -0.67 -1.79 0.00 0.00 174.94 172.48 3g61 n ASP 1015N 5.20 0.00 0.02 4.36 4.64 -1.26 -4.97 116.55 124.55 3g61 n ASP 1015Ca 0.03 0.00 -0.12 0.00 -1.38 0.00 0.00 54.79 53.33 3g61 n ASP 1015Cb 0.57 0.00 -0.09 0.00 -1.04 0.00 0.00 41.12 40.56 3g61 n ASP 1015CO 0.00 0.00 0.00 -1.28 -0.82 0.00 0.00 177.20 175.10 3g61 h SER 1016N 0.00 -0.12 0.00 1.67 0.87 -2.02 -3.41 113.55 110.54 3g61 h SER 1016Ca 0.00 -0.45 0.00 0.00 -1.23 0.00 0.00 61.79 60.11 3g61 h SER 1016Cb 0.00 0.03 0.00 0.00 -0.44 0.00 0.00 62.40 61.99 3g61 h SER 1016CO 0.00 0.47 0.00 -1.22 -0.53 0.00 0.00 176.83 175.55 3g61 n TYR 1017N -4.87 -0.02 0.00 2.24 4.01 -1.26 -4.93 117.16 112.33 3g61 n TYR 1017Ca -0.08 0.00 0.00 0.00 -0.16 0.00 0.00 57.90 57.66 3g61 n TYR 1017Cb 0.28 0.01 0.00 0.00 -0.31 0.00 0.00 39.34 39.33 3g61 n TYR 1017CO 0.00 0.00 0.00 0.45 -0.46 0.00 0.00 176.86 176.85 3g61 n SER 1018N -3.88 0.00 -2.43 7.72 2.88 -1.26 -5.07 113.62 111.58 3g61 n SER 1018Ca 0.00 0.00 -0.12 0.00 -1.33 0.00 0.00 58.87 57.42 3g61 n SER 1018Cb 0.00 0.00 -0.01 0.00 -0.75 0.00 0.00 64.21 63.45 3g61 n SER 1018CO 0.00 0.00 0.00 0.35 -1.23 0.00 0.00 175.04 174.16 3g61 n THR 1019N 0.00 -0.54 -3.10 2.46 -2.24 -1.26 -2.87 114.28 106.72 3g61 n THR 1019Ca 0.00 0.00 0.00 0.00 -2.27 0.00 0.00 64.05 61.78 3g61 n THR 1019Cb 0.00 -1.64 0.00 0.00 -2.10 0.00 0.00 70.33 66.59 3g61 n THR 1019CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 3g61 n GLN 1020N -2.77 -0.15 -0.51 -0.78 -0.00 -1.26 -2.08 117.38 109.83 3g61 n GLN 1020Ca -0.14 0.00 -0.00 0.00 -0.00 0.00 0.00 57.00 56.86 3g61 n GLN 1020Cb 0.60 0.00 -0.00 0.00 -0.00 0.00 0.00 30.24 30.84 3g61 n GLN 1020CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.06 177.47 3g61 n GLY 1021N 0.00 0.98 3.42 2.61 0.00 -1.26 -4.97 105.19 105.97 3g61 n GLY 1021Ca 0.00 -0.00 -0.23 0.00 0.00 0.00 0.00 46.02 45.79 3g61 n GLY 1021CO 0.00 0.00 0.00 -0.10 0.00 0.00 0.00 173.32 173.22 3g61 n LEU 1022N 0.00 -1.17 -4.36 0.99 0.00 -1.26 -4.79 117.00 106.41 3g61 n LEU 1022Ca -0.01 -0.39 -0.45 0.00 0.00 0.00 0.00 56.01 55.17 3g61 n LEU 1022Cb 0.51 -1.85 -0.02 0.00 0.00 0.00 0.00 43.42 42.06 3g61 n LEU 1022CO -0.00 0.12 -0.18 2.29 0.00 0.00 0.00 177.39 179.61 3g61 n LYS 1023N -3.57 0.07 0.00 1.96 2.85 -1.26 -4.69 118.16 113.52 3g61 n LYS 1023Ca 0.01 0.03 0.00 0.00 -1.05 0.00 0.00 58.31 57.29 3g61 n LYS 1023Cb 0.52 -1.06 0.00 0.00 -0.65 0.00 0.00 35.03 33.84 3g61 n LYS 1023CO 0.00 0.00 0.00 -2.30 -0.05 0.00 0.00 177.40 175.05 3g61 n PRO 1024N 1.12 0.03 -0.66 -1.58 -0.02 -1.26 -2.17 135.00 130.46 3g61 n PRO 1024Ca 0.14 0.00 0.04 0.00 -2.02 0.00 0.00 63.50 61.66 3g61 n PRO 1024Cb 0.33 -1.01 0.06 0.00 -0.02 0.00 0.00 33.50 32.86 3g61 n PRO 1024CO 0.00 0.00 0.00 0.27 1.98 0.00 0.00 175.50 177.75 3g61 n ASN 1025N 0.11 0.98 -0.63 2.55 6.94 -1.26 -4.73 115.26 119.23 3g61 n ASN 1025Ca 0.00 -2.49 0.08 0.00 -0.02 0.00 0.00 54.58 52.15 3g61 n ASN 1025Cb 0.01 -0.32 0.07 0.00 -2.36 0.00 0.00 39.78 37.17 3g61 n ASN 1025CO 0.00 0.00 0.00 0.23 -1.03 0.00 0.00 177.26 176.46 3g61 n MET 1026N -0.35 1.18 0.00 -3.83 2.81 -0.92 -4.57 117.12 111.44 3g61 n MET 1026Ca 0.07 -1.44 0.00 0.00 -1.81 0.00 0.00 57.70 54.52 3g61 n MET 1026Cb 0.79 -1.30 0.00 0.00 -0.71 0.00 0.00 33.22 32.00 3g61 n MET 1026CO 0.00 0.00 0.00 1.28 1.51 0.00 0.00 175.97 178.76 3g61 n LEU 1027N 0.87 0.03 0.00 4.03 4.32 -1.26 -4.25 117.00 120.74 3g61 n LEU 1027Ca 0.09 -0.02 0.00 0.00 -0.02 0.00 0.00 56.01 56.07 3g61 n LEU 1027Cb 0.39 -0.02 0.00 0.00 -1.62 0.00 0.00 43.42 42.17 3g61 n LEU 1027CO 0.10 0.01 0.00 -0.62 -1.22 0.00 0.00 177.39 175.66 3g61 n GLU 1028N -0.30 0.00 0.00 3.23 -0.58 -1.26 -5.04 120.64 116.69 3g61 n GLU 1028Ca 0.00 0.00 0.00 0.00 -0.42 0.00 0.00 57.16 56.74 3g61 n GLU 1028Cb 0.01 0.00 0.00 0.00 -0.57 0.00 0.00 31.44 30.88 3g61 n GLU 1028CO 0.00 0.00 0.00 0.41 -0.48 0.00 0.00 177.13 177.06 3g61 n GLY 1029N 2.83 0.85 3.53 0.62 0.00 -1.21 -4.73 105.19 107.07 3g61 n GLY 1029Ca 0.00 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.69 3g61 n GLY 1029CO 0.00 0.00 0.00 0.70 0.00 0.00 0.00 173.32 174.02 3g61 n ASN 1030N 0.00 1.10 -4.72 1.61 4.13 -0.94 -4.64 115.26 111.79 3g61 n ASN 1030Ca 0.00 -0.39 -0.41 0.00 1.68 0.00 0.00 54.58 55.46 3g61 n ASN 1030Cb 0.00 -1.24 -0.04 0.00 -1.54 0.00 0.00 39.78 36.96 3g61 n ASN 1030CO 0.00 0.00 0.00 -0.69 0.28 0.00 0.00 177.26 176.85 3g61 s VAL 1031N 10.06 4.84 -0.14 2.41 1.01 -0.60 -1.82 120.40 136.16 3g61 s VAL 1031Ca 1.15 1.80 0.02 0.00 0.00 0.00 0.00 61.98 64.95 3g61 s VAL 1031Cb -0.64 -4.20 0.01 0.00 0.00 0.00 0.00 36.38 31.56 3g61 s VAL 1031CO 0.36 0.25 -0.21 -1.10 0.00 0.00 0.00 175.10 174.40 3g61 s GLN 1032N 0.59 2.87 -0.32 2.72 -1.52 0.97 -1.50 119.66 123.47 3g61 s GLN 1032Ca 0.44 -0.80 -0.06 0.00 -1.95 0.00 0.00 55.36 52.99 3g61 s GLN 1032Cb -0.20 -2.34 0.03 0.00 -0.22 0.00 0.00 33.01 30.28 3g61 s GLN 1032CO 0.24 -0.03 0.09 -0.06 -0.25 0.00 0.00 175.29 175.28 3g61 s PHE 1033N 0.86 3.21 -0.13 0.91 0.08 -0.59 -0.81 117.98 121.52 3g61 s PHE 1033Ca -0.07 -1.28 -0.02 0.00 0.12 0.00 0.00 56.93 55.68 3g61 s PHE 1033Cb -0.15 -2.26 -0.02 0.00 -0.57 0.00 0.00 43.02 40.01 3g61 s PHE 1033CO -0.02 -0.68 -0.07 0.45 -0.10 0.00 0.00 175.22 174.80 3g61 s SER 1034N 1.43 4.57 0.00 1.36 0.15 -0.28 -1.19 113.70 119.74 3g61 s SER 1034Ca -0.00 -0.16 0.00 0.00 0.70 0.00 0.00 55.95 56.49 3g61 s SER 1034Cb -0.19 -1.63 0.00 0.00 -1.71 0.00 0.00 66.02 62.50 3g61 s SER 1034CO 0.02 0.20 0.00 0.61 1.20 0.00 0.00 173.24 175.28 3g61 n GLY 1035N 3.29 0.59 3.26 9.45 0.00 -0.66 -1.49 105.19 119.63 3g61 n GLY 1035Ca -0.18 0.00 -0.14 0.00 0.00 0.00 0.00 46.02 45.71 3g61 n GLY 1035CO 0.00 0.00 0.00 -0.62 0.00 0.00 0.00 173.32 172.70 3g61 n VAL 1036N 0.00 -1.41 -3.97 1.61 0.31 -0.17 0.93 118.33 115.62 3g61 n VAL 1036Ca 0.00 -0.06 -0.34 0.00 -0.01 0.00 0.00 64.34 63.93 3g61 n VAL 1036Cb 0.00 -1.25 -0.14 0.00 -0.91 0.00 0.00 33.84 31.54 3g61 n VAL 1036CO 0.00 0.00 0.00 0.68 -1.32 0.00 0.00 176.83 176.19 3g61 s VAL 1037N -2.83 2.70 0.16 2.52 -7.23 -0.64 -1.55 120.40 113.53 3g61 s VAL 1037Ca 0.05 -1.39 -0.14 0.00 -1.81 0.00 0.00 61.98 58.68 3g61 s VAL 1037Cb -0.03 -2.53 0.02 0.00 0.56 0.00 0.00 36.38 34.41 3g61 s VAL 1037CO 0.42 -0.02 0.40 0.12 -0.31 0.00 0.00 175.10 175.71 3g61 s PHE 1038N 1.22 -0.02 -0.30 2.82 5.36 0.21 0.12 117.98 127.39 3g61 s PHE 1038Ca -0.05 -0.33 -0.12 0.00 -0.96 0.00 0.00 56.93 55.47 3g61 s PHE 1038Cb -0.19 0.22 0.18 0.00 -0.34 0.00 0.00 43.02 42.88 3g61 s PHE 1038CO -0.03 -0.77 0.98 1.21 -1.46 0.00 0.00 175.22 175.15 3g61 s ASN 1039N -2.87 -0.61 0.47 6.13 3.04 -1.26 -1.54 114.94 118.30 3g61 s ASN 1039Ca 0.08 0.49 -0.22 0.00 0.04 0.00 0.00 52.86 53.25 3g61 s ASN 1039Cb 0.01 1.55 -0.10 0.00 -1.54 0.00 0.00 41.25 41.18 3g61 s ASN 1039CO -0.06 -0.11 0.85 0.00 -3.04 0.00 0.00 177.10 174.74 3g61 n TYR 1040N 5.33 0.56 -0.91 0.43 4.11 -1.26 -4.55 117.16 120.87 3g61 n TYR 1040Ca -0.07 0.53 -0.21 0.00 -0.00 0.00 0.00 57.90 58.16 3g61 n TYR 1040Cb 0.53 -2.13 -0.11 0.00 -0.00 0.00 0.00 39.34 37.63 3g61 n TYR 1040CO 0.00 0.00 0.00 -2.30 -0.00 0.00 0.00 176.86 174.56 3g61 n PRO 1041N 0.01 0.00 0.00 -3.48 -0.02 -1.26 -3.66 135.00 126.59 3g61 n PRO 1041Ca 0.11 0.00 0.00 0.00 -2.02 0.00 0.00 63.50 61.59 3g61 n PRO 1041Cb 0.42 -0.80 0.00 0.00 -0.02 0.00 0.00 33.50 33.10 3g61 n PRO 1041CO 0.00 0.00 0.00 -2.37 1.98 0.00 0.00 175.50 175.11 3g61 n THR 1042N 4.10 0.00 0.02 3.45 5.66 -1.26 -5.05 114.28 121.20 3g61 n THR 1042Ca 0.41 0.00 0.22 0.00 -3.05 0.00 0.00 64.05 61.63 3g61 n THR 1042Cb 0.04 0.00 0.68 0.00 -1.55 0.00 0.00 70.33 69.51 3g61 n THR 1042CO 0.00 0.00 0.00 -0.09 -3.05 0.00 0.00 175.07 171.93 3g61 h ARG 1043N 0.00 0.00 0.00 1.09 2.43 -1.80 0.11 114.38 116.21 3g61 h ARG 1043Ca 0.00 0.00 0.00 0.00 -0.81 0.00 0.00 59.98 59.17 3g61 h ARG 1043Cb 0.00 0.00 0.00 0.00 -0.42 0.00 0.00 29.97 29.55 3g61 h ARG 1043CO 0.00 0.00 0.00 -0.35 -1.51 0.00 0.00 179.97 178.11 3g61 n PRO 1044N -3.60 0.61 -0.19 0.20 -0.04 -1.26 -2.18 135.00 128.54 3g61 n PRO 1044Ca 0.11 0.00 0.10 0.00 -0.04 0.00 0.00 63.50 63.67 3g61 n PRO 1044Cb 0.82 -1.30 0.27 0.00 -0.04 0.00 0.00 33.50 33.25 3g61 n PRO 1044CO 0.00 0.00 0.00 -1.13 -0.04 0.00 0.00 175.50 174.33 3g61 n SER 1045N -0.80 2.65 -1.95 3.54 3.41 0.37 -5.02 113.62 115.83 3g61 n SER 1045Ca 0.09 -1.92 -0.01 0.00 -0.26 0.00 0.00 58.87 56.77 3g61 n SER 1045Cb 0.04 -0.25 -0.01 0.00 -0.26 0.00 0.00 64.21 63.73 3g61 n SER 1045CO 0.00 0.00 0.00 -0.38 -0.16 0.00 0.00 175.04 174.50 3g61 n ILE 1046N 0.96 -9.06 -0.88 -1.33 -0.00 -0.93 -4.85 119.36 103.26 3g61 n ILE 1046Ca 0.18 1.86 -0.35 0.00 -0.00 0.00 0.00 62.75 64.44 3g61 n ILE 1046Cb 0.45 -5.08 -0.05 0.00 -0.00 0.00 0.00 39.64 34.96 3g61 n ILE 1046CO 0.00 0.00 0.00 -2.65 -0.00 0.00 0.00 176.55 173.90 3g61 n PRO 1047N 1.09 0.00 -0.02 0.38 -0.02 -1.26 -4.80 135.00 130.36 3g61 n PRO 1047Ca -0.10 0.00 0.10 0.00 -2.02 0.00 0.00 63.50 61.48 3g61 n PRO 1047Cb 0.15 -0.82 0.51 0.00 -0.02 0.00 0.00 33.50 33.32 3g61 n PRO 1047CO 0.00 0.00 0.00 1.33 1.98 0.00 0.00 175.50 178.81 3g61 n VAL 1048N 1.49 0.06 -3.44 -1.45 0.24 -1.03 -4.31 118.33 109.88 3g61 n VAL 1048Ca 0.14 -0.10 -0.23 0.00 -2.04 0.00 0.00 64.34 62.11 3g61 n VAL 1048Cb 0.01 -0.09 -0.11 0.00 -1.47 0.00 0.00 33.84 32.17 3g61 n VAL 1048CO 0.00 0.00 0.00 -0.76 -2.14 0.00 0.00 176.83 173.93 3g61 s LEU 1049N -1.59 0.26 -0.22 1.34 2.01 -0.59 -2.63 118.68 117.26 3g61 s LEU 1049Ca 0.30 -1.37 -0.02 0.00 0.01 0.00 0.00 54.13 53.04 3g61 s LEU 1049Cb 0.14 0.10 0.01 0.00 0.01 0.00 0.00 46.19 46.45 3g61 s LEU 1049CO 0.23 -0.36 -0.08 0.00 1.01 0.00 0.00 176.35 177.15 3g61 s GLN 1050N 1.83 3.12 -0.84 1.70 -2.07 -0.40 0.68 119.66 123.68 3g61 s GLN 1050Ca 0.13 -0.79 -0.03 0.00 -1.82 0.00 0.00 55.36 52.85 3g61 s GLN 1050Cb -0.17 -2.92 0.00 0.00 -1.09 0.00 0.00 33.01 28.83 3g61 s GLN 1050CO -0.21 -0.27 0.65 0.41 -1.32 0.00 0.00 175.29 174.55 3g61 n GLY 1051N 4.72 -1.25 3.69 2.60 0.00 -1.20 -3.85 105.19 109.91 3g61 n GLY 1051Ca -0.18 0.54 -0.24 0.00 0.00 0.00 0.00 46.02 46.14 3g61 n GLY 1051CO 0.00 0.00 0.00 -2.27 0.00 0.00 0.00 173.32 171.05 3g61 s LEU 1052N -4.88 3.12 -0.30 0.99 2.96 0.26 -4.65 118.68 116.20 3g61 s LEU 1052Ca 0.06 -0.92 -0.17 0.00 -0.22 0.00 0.00 54.13 52.88 3g61 s LEU 1052Cb -0.02 -1.53 0.19 0.00 0.50 0.00 0.00 46.19 45.33 3g61 s LEU 1052CO 0.85 -0.32 1.16 -0.44 -1.32 0.00 0.00 176.35 176.28 3g61 s SER 1053N -3.81 -0.25 0.00 3.68 0.01 -1.26 -1.00 113.70 111.07 3g61 s SER 1053Ca 0.37 0.36 0.00 0.00 1.31 0.00 0.00 55.95 58.00 3g61 s SER 1053Cb -0.00 1.21 0.00 0.00 0.21 0.00 0.00 66.02 67.44 3g61 s SER 1053CO 0.21 -0.05 0.00 0.18 0.41 0.00 0.00 173.24 173.99 3g61 n LEU 1054N 4.10 0.00 -3.63 2.44 7.99 -0.34 -4.94 117.00 122.62 3g61 n LEU 1054Ca -0.12 0.00 -0.03 0.00 -0.01 0.00 0.00 56.01 55.85 3g61 n LEU 1054Cb 0.55 0.00 -0.03 0.00 -0.11 0.00 0.00 43.42 43.84 3g61 n LEU 1054CO -0.00 0.00 1.12 -0.70 -1.51 0.00 0.00 177.39 176.29 3g61 s GLU 1055N 0.78 0.13 -0.18 3.23 -6.30 -1.26 -1.54 118.70 113.56 3g61 s GLU 1055Ca 0.00 -0.02 -0.07 0.00 -2.50 0.00 0.00 54.97 52.38 3g61 s GLU 1055Cb 0.00 0.06 0.08 0.00 0.00 0.00 0.00 34.13 34.27 3g61 s GLU 1055CO 0.00 -0.05 0.39 0.54 0.02 0.00 0.00 175.26 176.16 3g61 s VAL 1056N -1.76 -0.50 0.00 3.70 0.11 -0.56 -5.00 120.40 116.39 3g61 s VAL 1056Ca 0.10 0.17 0.00 0.00 -2.93 0.00 0.00 61.98 59.32 3g61 s VAL 1056Cb -0.01 -0.62 0.00 0.00 -1.53 0.00 0.00 36.38 34.22 3g61 s VAL 1056CO -0.05 0.07 0.00 0.29 -3.33 0.00 0.00 175.10 172.09 3g61 n LYS 1057N 5.18 1.78 -4.13 1.54 4.01 -1.26 -1.56 118.16 123.72 3g61 n LYS 1057Ca -0.11 0.00 -0.27 0.00 -0.51 0.00 0.00 58.31 57.42 3g61 n LYS 1057Cb 0.50 0.00 -0.07 0.00 -0.51 0.00 0.00 35.03 34.96 3g61 n LYS 1057CO 0.00 0.00 0.00 -1.59 -1.11 0.00 0.00 177.40 174.70 3g61 s LYS 1058N 0.00 2.65 -1.50 1.97 -2.85 -1.26 -3.79 119.74 114.96 3g61 s LYS 1058Ca 0.00 -0.95 -0.19 0.00 -1.00 0.00 0.00 55.97 53.83 3g61 s LYS 1058Cb 0.00 -2.52 0.19 0.00 -2.06 0.00 0.00 37.83 33.44 3g61 s LYS 1058CO 0.00 0.49 0.48 0.41 0.10 0.00 0.00 175.35 176.82 3g61 n GLY 1059N -0.08 -0.42 0.00 0.59 0.00 -1.26 -4.71 105.19 99.31 3g61 n GLY 1059Ca -0.09 0.06 0.00 0.00 0.00 0.00 0.00 46.02 45.98 3g61 n GLY 1059CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3g61 n GLN 1060N -3.72 1.75 -4.08 1.61 -0.00 -1.25 -4.34 117.38 107.35 3g61 n GLN 1060Ca 0.10 0.00 -0.33 0.00 -0.00 0.00 0.00 57.00 56.76 3g61 n GLN 1060Cb 0.46 0.00 -0.16 0.00 -0.00 0.00 0.00 30.24 30.54 3g61 n GLN 1060CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 177.06 178.05 3g61 s THR 1061N -0.66 2.32 -0.83 -0.39 2.01 -1.26 -1.58 115.64 115.26 3g61 s THR 1061Ca 0.00 -0.87 -0.10 0.00 0.31 0.00 0.00 61.69 61.03 3g61 s THR 1061Cb 0.00 -2.00 0.21 0.00 0.01 0.00 0.00 72.50 70.72 3g61 s THR 1061CO 0.00 0.50 0.74 -0.22 -0.69 0.00 0.00 174.62 174.96 3g61 s LEU 1062N 1.32 6.29 0.64 4.42 1.98 -0.03 -1.61 118.68 131.70 3g61 s LEU 1062Ca 0.05 -2.92 -0.18 0.00 -2.89 0.00 0.00 54.13 48.19 3g61 s LEU 1062Cb -0.13 -2.11 -0.01 0.00 0.66 0.00 0.00 46.19 44.59 3g61 s LEU 1062CO -0.11 -0.46 1.21 0.00 -1.89 0.00 0.00 176.35 175.10 3g61 s ALA 1063N -0.19 2.42 -0.16 5.97 0.00 0.13 -0.75 121.76 129.18 3g61 s ALA 1063Ca 0.20 0.97 -0.08 0.00 0.00 0.00 0.00 51.96 53.05 3g61 s ALA 1063Cb -0.12 -3.46 0.07 0.00 0.00 0.00 0.00 23.12 19.61 3g61 s ALA 1063CO -0.08 -1.39 0.38 -1.17 0.00 0.00 0.00 175.76 173.50 3g61 s LEU 1064N -4.41 -0.19 -0.03 0.00 1.98 -0.63 -1.58 118.68 113.81 3g61 s LEU 1064Ca 0.77 0.84 -0.03 0.00 -2.89 0.00 0.00 54.13 52.81 3g61 s LEU 1064Cb -0.30 1.20 0.01 0.00 0.66 0.00 0.00 46.19 47.76 3g61 s LEU 1064CO 0.37 -0.20 0.09 0.54 -1.89 0.00 0.00 176.35 175.26 3g61 s VAL 1065N 1.79 0.02 0.00 1.68 0.11 -0.62 -2.01 120.40 121.37 3g61 s VAL 1065Ca -0.06 -0.15 0.00 0.00 -2.93 0.00 0.00 61.98 58.84 3g61 s VAL 1065Cb -0.10 -0.18 0.00 0.00 -1.53 0.00 0.00 36.38 34.57 3g61 s VAL 1065CO -0.12 -0.08 0.00 0.61 -3.33 0.00 0.00 175.10 172.18 3g61 n GLY 1066N 2.74 4.40 0.13 6.54 0.00 -1.26 -0.48 105.19 117.27 3g61 n GLY 1066Ca -0.14 -0.90 -0.04 0.00 0.00 0.00 0.00 46.02 44.93 3g61 n GLY 1066CO 0.00 0.00 0.00 1.48 0.00 0.00 0.00 173.32 174.80 3g61 h SER 1067N 0.00 -0.24 0.00 1.61 4.64 -1.90 -3.49 113.55 114.17 3g61 h SER 1067Ca 0.00 0.01 0.00 0.00 -0.47 0.00 0.00 61.79 61.33 3g61 h SER 1067Cb 0.00 0.06 0.00 0.00 -0.31 0.00 0.00 62.40 62.15 3g61 h SER 1067CO 0.00 -0.01 0.00 -0.24 -0.87 0.00 0.00 176.83 175.71 3g61 n SER 1068N -3.68 0.00 0.00 4.97 2.88 -1.26 -5.10 113.62 111.43 3g61 n SER 1068Ca -0.04 0.00 0.00 0.00 -1.33 0.00 0.00 58.87 57.50 3g61 n SER 1068Cb 0.11 0.00 0.00 0.00 -0.75 0.00 0.00 64.21 63.57 3g61 n SER 1068CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 3g61 n GLY 1069N -0.44 0.56 3.95 0.46 0.00 -1.26 -4.78 105.19 103.69 3g61 n GLY 1069Ca 0.00 0.60 -0.23 0.00 0.00 0.00 0.00 46.02 46.39 3g61 n GLY 1069CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3g61 n GLY 1071N -2.40 1.94 0.31 0.00 0.00 -1.26 -4.73 105.19 99.05 3g61 n GLY 1071Ca 0.06 -0.63 -0.12 0.00 0.00 0.00 0.00 46.02 45.33 3g61 n GLY 1071CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 3g61 h LYS 1072N 0.00 -0.64 0.00 1.61 1.57 -1.93 -1.50 116.57 115.69 3g61 h LYS 1072Ca 0.00 0.04 0.00 0.00 -1.87 0.00 0.00 60.65 58.83 3g61 h LYS 1072Cb 0.00 0.14 -0.01 0.00 0.08 0.00 0.00 32.23 32.44 3g61 h LYS 1072CO 0.00 -0.42 -0.12 0.77 -0.57 0.00 0.00 179.45 179.11 3g61 h SER 1073N -0.66 -0.36 -1.25 0.86 0.02 -1.85 -1.54 113.55 108.78 3g61 h SER 1073Ca -0.05 0.04 0.42 0.00 -0.84 0.00 0.00 61.79 61.37 3g61 h SER 1073Cb 0.56 0.14 -0.12 0.00 0.14 0.00 0.00 62.40 63.12 3g61 h SER 1073CO -0.01 -0.12 0.81 0.35 -1.14 0.00 0.00 176.83 176.73 3g61 n THR 1074N -3.14 -0.20 0.25 -2.27 -2.24 -1.22 0.75 114.28 106.21 3g61 n THR 1074Ca -0.02 1.54 -0.11 0.00 -2.27 0.00 0.00 64.05 63.20 3g61 n THR 1074Cb 0.09 -2.54 -0.05 0.00 -2.10 0.00 0.00 70.33 65.73 3g61 n THR 1074CO 0.00 0.00 0.00 0.58 -0.57 0.00 0.00 175.07 175.08 3g61 h VAL 1075N 0.00 0.06 -0.69 2.28 2.07 -0.30 -0.65 116.25 119.03 3g61 h VAL 1075Ca 0.77 -0.50 0.11 0.00 0.82 0.00 0.00 66.70 67.91 3g61 h VAL 1075Cb 2.54 0.09 -0.12 0.00 -1.52 0.00 0.00 31.29 32.28 3g61 h VAL 1075CO -0.37 0.01 -0.36 0.58 0.02 0.00 0.00 177.57 177.45 3g61 h VAL 1076N -1.17 0.12 -0.44 2.57 2.07 0.10 0.16 116.25 119.67 3g61 h VAL 1076Ca -0.07 0.00 0.09 0.00 0.82 0.00 0.00 66.70 67.54 3g61 h VAL 1076Cb 0.55 0.12 -0.09 0.00 -1.52 0.00 0.00 31.29 30.35 3g61 h VAL 1076CO 0.12 0.00 -0.26 1.56 0.02 0.00 0.00 177.57 179.01 3g61 h GLN 1077N -0.13 -0.17 -1.00 1.57 4.20 -1.00 0.08 115.11 118.66 3g61 h GLN 1077Ca 0.25 0.01 0.19 0.00 0.06 0.00 0.00 58.65 59.17 3g61 h GLN 1077Cb 0.56 0.04 -0.11 0.00 0.30 0.00 0.00 27.48 28.27 3g61 h GLN 1077CO -0.76 -0.11 0.61 -0.07 -0.67 0.00 0.00 178.83 177.84 3g61 h LEU 1078N -0.17 0.77 -0.13 1.46 3.38 0.91 1.23 115.31 122.76 3g61 h LEU 1078Ca 0.20 0.10 -0.00 0.00 0.09 0.00 0.00 57.88 58.27 3g61 h LEU 1078Cb 0.49 -0.04 -0.01 0.00 0.09 0.00 0.00 40.66 41.20 3g61 h LEU 1078CO -0.54 0.27 0.08 0.25 0.09 0.00 0.00 178.44 178.58 3g61 h LEU 1079N 0.75 0.16 0.00 1.67 5.85 -0.10 1.56 115.31 125.20 3g61 h LEU 1079Ca 0.58 -0.06 0.00 0.00 0.84 0.00 0.00 57.88 59.24 3g61 h LEU 1079Cb 0.92 -0.04 0.00 0.00 0.37 0.00 0.00 40.66 41.92 3g61 h LEU 1079CO -0.38 0.17 0.00 -0.62 -0.34 0.00 0.00 178.44 177.27 3g61 n GLU 1080N -4.97 0.01 -3.90 1.25 -0.58 0.29 -4.80 120.64 107.95 3g61 n GLU 1080Ca -0.05 0.40 -0.26 0.00 -0.42 0.00 0.00 57.16 56.84 3g61 n GLU 1080Cb 0.06 -1.50 0.00 0.00 -0.57 0.00 0.00 31.44 29.43 3g61 n GLU 1080CO 0.00 0.00 0.00 -2.13 -0.48 0.00 0.00 177.13 174.52 3g61 n ARG 1081N -1.46 -4.13 0.24 3.49 0.63 0.53 -4.80 116.66 111.17 3g61 n ARG 1081Ca 0.01 0.50 0.14 0.00 -0.92 0.00 0.00 57.85 57.58 3g61 n ARG 1081Cb 0.04 -4.94 0.38 0.00 0.45 0.00 0.00 32.46 28.39 3g61 n ARG 1081CO 0.00 0.00 0.00 0.74 -2.51 0.00 0.00 177.63 175.86 3g61 h PHE 1082N -1.85 0.00 -1.95 -0.14 0.04 -1.63 -3.40 116.94 108.01 3g61 h PHE 1082Ca -0.61 0.00 -0.25 0.00 2.80 0.00 0.00 57.97 59.91 3g61 h PHE 1082Cb 1.37 0.00 -0.31 0.00 2.20 0.00 0.00 35.95 39.21 3g61 h PHE 1082CO 0.51 0.01 -0.57 0.71 -0.60 0.00 0.00 178.31 178.37 3g61 s TYR 1083N -3.39 -0.73 0.03 -0.55 1.51 -1.26 -4.45 117.35 108.51 3g61 s TYR 1083Ca 0.05 0.20 -0.33 0.00 -1.01 0.00 0.00 57.07 55.98 3g61 s TYR 1083Cb 0.07 -0.26 -0.12 0.00 -0.11 0.00 0.00 41.96 41.54 3g61 s TYR 1083CO 0.62 -0.90 1.81 -0.25 -1.11 0.00 0.00 175.55 175.73 3g61 n ASP 1084N 5.34 3.58 -4.12 2.29 8.00 -1.26 -4.76 116.55 125.62 3g61 n ASP 1084Ca -0.01 0.99 -0.33 0.00 0.71 0.00 0.00 54.79 56.15 3g61 n ASP 1084Cb 0.48 -1.44 0.12 0.00 -0.02 0.00 0.00 41.12 40.26 3g61 n ASP 1084CO 0.00 0.00 0.00 -0.81 -0.39 0.00 0.00 177.20 176.00 3g61 n PRO 1085N 5.77 -1.09 0.08 -0.24 -0.04 -1.26 -4.91 135.00 133.32 3g61 n PRO 1085Ca 0.20 -0.31 -0.14 0.00 -0.04 0.00 0.00 63.50 63.21 3g61 n PRO 1085Cb 0.32 -1.42 -0.07 0.00 -0.04 0.00 0.00 33.50 32.29 3g61 n PRO 1085CO 0.00 0.00 0.00 0.52 -0.04 0.00 0.00 175.50 175.98 3g61 h MET 1086N -1.75 0.37 -2.12 0.54 2.86 0.51 -3.45 114.93 111.88 3g61 h MET 1086Ca -0.46 -0.46 0.03 0.00 -2.06 0.00 0.00 59.70 56.76 3g61 h MET 1086Cb 1.31 0.14 -0.22 0.00 0.06 0.00 0.00 31.60 32.89 3g61 h MET 1086CO 0.30 1.14 -0.17 0.00 1.06 0.00 0.00 176.91 179.24 3g61 s ALA 1087N -3.07 -1.83 0.00 6.32 0.00 -0.62 -5.03 121.76 117.54 3g61 s ALA 1087Ca -0.05 2.16 0.00 0.00 0.00 0.00 0.00 51.96 54.07 3g61 s ALA 1087Cb 0.08 -1.63 0.00 0.00 0.00 0.00 0.00 23.12 21.57 3g61 s ALA 1087CO 0.87 -0.83 0.00 0.41 0.00 0.00 0.00 175.76 176.21 3g61 n GLY 1088N 5.31 0.66 0.00 0.00 0.00 -1.26 -1.62 105.19 108.28 3g61 n GLY 1088Ca -0.12 -1.54 0.00 0.00 0.00 0.00 0.00 46.02 44.35 3g61 n GLY 1088CO 0.00 0.00 0.00 -1.26 0.00 0.00 0.00 173.32 172.06 3g61 n SER 1089N 0.00 0.00 -4.00 1.61 2.88 -0.55 -4.95 113.62 108.61 3g61 n SER 1089Ca 0.00 0.00 -0.13 0.00 -1.33 0.00 0.00 58.87 57.41 3g61 n SER 1089Cb 0.00 0.00 -0.13 0.00 -0.75 0.00 0.00 64.21 63.33 3g61 n SER 1089CO 0.00 0.00 0.00 0.54 -1.23 0.00 0.00 175.04 174.35 3g61 s VAL 1090N -2.00 0.39 -0.27 2.46 0.11 -1.00 -1.13 120.40 118.96 3g61 s VAL 1090Ca 0.00 -0.68 0.01 0.00 -2.93 0.00 0.00 61.98 58.38 3g61 s VAL 1090Cb 0.00 -0.42 0.06 0.00 -1.53 0.00 0.00 36.38 34.48 3g61 s VAL 1090CO 0.00 -0.20 -0.07 -0.36 -3.33 0.00 0.00 175.10 171.14 3g61 s PHE 1091N -0.85 3.26 0.60 1.54 0.08 0.01 0.16 117.98 122.77 3g61 s PHE 1091Ca -0.06 -2.14 0.30 0.00 0.12 0.00 0.00 56.93 55.15 3g61 s PHE 1091Cb -0.06 -2.00 1.74 0.00 -0.57 0.00 0.00 43.02 42.13 3g61 s PHE 1091CO -0.00 -0.85 2.15 1.37 -0.10 0.00 0.00 175.22 177.79 3g61 h LEU 1092N 7.86 0.00 0.00 -0.37 -0.00 -1.73 0.28 115.31 121.34 3g61 h LEU 1092Ca -0.20 0.00 0.00 0.00 -0.00 0.00 0.00 57.88 57.68 3g61 h LEU 1092Cb 1.05 0.00 0.00 0.00 -0.00 0.00 0.00 40.66 41.71 3g61 h LEU 1092CO 0.49 0.00 0.00 -0.90 -0.00 0.00 0.00 178.44 178.03 3g61 n ASP 1093N -3.76 0.00 0.00 0.17 3.85 -0.76 -2.23 116.55 113.83 3g61 n ASP 1093Ca -0.00 0.00 0.00 0.00 -0.71 0.00 0.00 54.79 54.08 3g61 n ASP 1093Cb 0.25 0.00 0.00 0.00 -1.35 0.00 0.00 41.12 40.02 3g61 n ASP 1093CO 0.00 0.00 0.00 0.61 -1.01 0.00 0.00 177.20 176.80 3g61 n GLY 1094N 0.00 -2.12 3.02 6.12 0.00 -1.26 -4.85 105.19 106.10 3g61 n GLY 1094Ca 0.00 0.78 -0.21 0.00 0.00 0.00 0.00 46.02 46.59 3g61 n GLY 1094CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 3g61 n LYS 1095N 0.00 -1.43 -3.52 1.61 4.01 -1.26 -4.76 118.16 112.82 3g61 n LYS 1095Ca 0.00 -0.42 -0.41 0.00 -0.51 0.00 0.00 58.31 56.97 3g61 n LYS 1095Cb 0.00 -1.36 -0.10 0.00 -0.51 0.00 0.00 35.03 33.05 3g61 n LYS 1095CO 0.00 0.00 0.00 -1.21 -1.11 0.00 0.00 177.40 175.08 3g61 s GLU 1096N -2.99 3.21 -0.45 1.97 2.02 -1.26 -3.85 118.70 117.35 3g61 s GLU 1096Ca 0.34 -0.84 -0.29 0.00 0.02 0.00 0.00 54.97 54.20 3g61 s GLU 1096Cb -0.03 -3.85 0.01 0.00 0.10 0.00 0.00 34.13 30.36 3g61 s GLU 1096CO 0.39 -0.59 1.36 0.42 0.02 0.00 0.00 175.26 176.86 3g61 s ILE 1097N 1.68 3.94 0.00 -1.63 1.01 0.42 0.14 121.20 126.76 3g61 s ILE 1097Ca 0.05 0.93 0.00 0.00 0.00 0.00 0.00 60.65 61.64 3g61 s ILE 1097Cb -0.18 -4.32 0.00 0.00 0.01 0.00 0.00 42.46 37.96 3g61 s ILE 1097CO 0.10 -0.88 0.00 1.17 0.00 0.00 0.00 174.94 175.32 3g61 n LYS 1098N 8.14 0.00 -0.60 2.79 4.81 -1.26 -2.39 118.16 129.65 3g61 n LYS 1098Ca 0.15 0.00 0.03 0.00 -0.87 0.00 0.00 58.31 57.62 3g61 n LYS 1098Cb 0.48 0.00 0.23 0.00 0.02 0.00 0.00 35.03 35.76 3g61 n LYS 1098CO 0.00 0.00 0.00 0.94 1.17 0.00 0.00 177.40 179.51 3g61 n GLN 1099N 0.00 2.42 -4.07 1.64 7.27 0.38 -4.98 117.38 120.04 3g61 n GLN 1099Ca 0.00 -2.97 -0.25 0.00 0.07 0.00 0.00 57.00 53.84 3g61 n GLN 1099Cb 0.00 -1.83 -0.05 0.00 2.41 0.00 0.00 30.24 30.77 3g61 n GLN 1099CO 0.00 0.00 0.00 -1.17 0.07 0.00 0.00 177.06 175.96 3g61 s LEU 1100N -3.01 3.88 -0.72 1.69 2.96 0.28 -4.59 118.68 119.16 3g61 s LEU 1100Ca 0.43 -0.12 -0.26 0.00 -0.22 0.00 0.00 54.13 53.97 3g61 s LEU 1100Cb 0.37 -2.46 -0.10 0.00 0.50 0.00 0.00 46.19 44.49 3g61 s LEU 1100CO 0.05 0.04 2.33 0.21 -1.32 0.00 0.00 176.35 177.66 3g61 s ASN 1101N -3.28 4.24 0.07 3.68 3.84 -0.88 -4.81 114.94 117.79 3g61 s ASN 1101Ca 0.32 0.23 -0.13 0.00 0.21 0.00 0.00 52.86 53.48 3g61 s ASN 1101Cb -0.10 -2.54 -0.03 0.00 -0.55 0.00 0.00 41.25 38.04 3g61 s ASN 1101CO 0.24 -3.43 0.67 0.55 -2.79 0.00 0.00 177.10 172.35 3g61 n VAL 1102N 8.41 -0.28 -0.01 -5.21 3.14 -1.26 -1.27 118.33 121.85 3g61 n VAL 1102Ca 0.42 1.06 -0.00 0.00 -2.96 0.00 0.00 64.34 62.86 3g61 n VAL 1102Cb 0.47 -1.31 -0.00 0.00 -1.06 0.00 0.00 33.84 31.94 3g61 n VAL 1102CO 0.00 0.00 0.00 -0.61 -6.46 0.00 0.00 176.83 169.76 3g61 h GLN 1103N 0.00 -0.00 -0.78 1.45 5.75 -1.88 -1.24 115.11 118.41 3g61 h GLN 1103Ca 0.07 0.00 0.15 0.00 -0.15 0.00 0.00 58.65 58.72 3g61 h GLN 1103Cb 0.17 0.00 -0.10 0.00 1.07 0.00 0.00 27.48 28.62 3g61 h GLN 1103CO -0.39 -0.00 0.32 2.35 -2.65 0.00 0.00 178.83 178.46 3g61 h TRP 1104N -0.00 0.55 -0.45 3.99 7.01 -1.58 0.78 115.95 126.24 3g61 h TRP 1104Ca 0.00 0.04 0.13 0.00 2.11 0.00 0.00 58.89 61.17 3g61 h TRP 1104Cb 0.01 -0.12 -0.02 0.00 -2.10 0.00 0.00 29.16 26.93 3g61 h TRP 1104CO -0.80 0.06 0.44 1.25 -2.79 0.00 0.00 178.44 176.60 3g61 h LEU 1105N 0.46 0.00 -1.80 0.65 5.85 -0.33 2.22 115.31 122.35 3g61 h LEU 1105Ca 0.44 0.00 0.00 0.00 0.84 0.00 0.00 57.88 59.16 3g61 h LEU 1105Cb 0.68 0.00 0.00 0.00 0.37 0.00 0.00 40.66 41.71 3g61 h LEU 1105CO -0.42 0.00 0.00 0.54 -0.34 0.00 0.00 178.44 178.22 3g61 n ARG 1106N -3.83 2.22 -0.01 1.25 1.74 0.26 -3.98 116.66 114.31 3g61 n ARG 1106Ca 0.08 -1.79 -0.18 0.00 -0.77 0.00 0.00 57.85 55.19 3g61 n ARG 1106Cb 0.64 -1.47 -0.14 0.00 -1.02 0.00 0.00 32.46 30.47 3g61 n ARG 1106CO 0.00 0.00 0.00 0.00 -1.52 0.00 0.00 177.63 176.11 3g61 h ALA 1107N 4.55 0.02 -2.61 7.54 0.00 0.48 -3.40 119.26 125.84 3g61 h ALA 1107Ca 0.00 -0.74 -0.77 0.00 0.00 0.00 0.00 54.91 53.40 3g61 h ALA 1107Cb 0.87 0.19 -0.24 0.00 0.00 0.00 0.00 17.79 18.61 3g61 h ALA 1107CO 0.00 0.35 0.29 -0.65 0.00 0.00 0.00 179.25 179.24 3g61 s GLN 1108N -2.36 3.64 0.00 0.00 1.11 -0.84 -4.87 119.66 116.35 3g61 s GLN 1108Ca -0.18 -2.35 -0.28 0.00 0.01 0.00 0.00 55.36 52.56 3g61 s GLN 1108Cb 0.01 -4.55 0.07 0.00 -1.01 0.00 0.00 33.01 27.53 3g61 s GLN 1108CO 0.75 -1.40 0.65 -0.48 0.01 0.00 0.00 175.29 174.82 3g61 s LEU 1109N 0.66 -0.57 -0.40 2.90 2.34 -1.26 -4.57 118.68 117.78 3g61 s LEU 1109Ca 0.22 0.52 0.08 0.00 0.06 0.00 0.00 54.13 55.01 3g61 s LEU 1109Cb -0.09 2.50 0.26 0.00 -0.56 0.00 0.00 46.19 48.30 3g61 s LEU 1109CO -0.09 -0.69 0.57 0.61 -1.06 0.00 0.00 176.35 175.69 3g61 n GLY 1110N 0.61 2.69 3.74 -3.48 0.00 -0.57 -4.65 105.19 103.53 3g61 n GLY 1110Ca -0.19 -1.44 -0.41 0.00 0.00 0.00 0.00 46.02 43.99 3g61 n GLY 1110CO 0.00 0.00 0.00 -1.50 0.00 0.00 0.00 173.32 171.82 3g61 s ILE 1111N -1.14 4.48 -0.32 -0.61 1.10 -1.26 -0.13 121.20 123.32 3g61 s ILE 1111Ca 0.35 2.00 -0.01 0.00 -0.51 0.00 0.00 60.65 62.48 3g61 s ILE 1111Cb 0.19 -4.29 0.13 0.00 0.15 0.00 0.00 42.46 38.64 3g61 s ILE 1111CO -0.12 0.35 0.23 -0.69 -2.11 0.00 0.00 174.94 172.61 3g61 s VAL 1112N -0.20 -0.15 0.00 4.00 1.01 0.03 -4.86 120.40 120.24 3g61 s VAL 1112Ca 0.45 -0.94 0.00 0.00 0.00 0.00 0.00 61.98 61.48 3g61 s VAL 1112Cb -0.23 -0.97 0.00 0.00 0.00 0.00 0.00 36.38 35.18 3g61 s VAL 1112CO 0.29 -0.70 0.00 -0.24 0.00 0.00 0.00 175.10 174.45 3g61 n SER 1113N 4.83 0.00 0.00 3.32 2.88 -1.26 -1.78 113.62 121.61 3g61 n SER 1113Ca 0.02 -0.88 0.00 0.00 -1.33 0.00 0.00 58.87 56.67 3g61 n SER 1113Cb 0.42 0.00 0.00 0.00 -0.75 0.00 0.00 64.21 63.88 3g61 n SER 1113CO 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 175.04 173.81 3g61 n GLN 1114N -0.88 0.00 -2.55 -1.46 1.13 -1.16 -4.43 117.38 108.02 3g61 n GLN 1114Ca 0.00 0.08 -0.42 0.00 -1.94 0.00 0.00 57.00 54.73 3g61 n GLN 1114Cb 0.00 -0.81 -0.03 0.00 0.11 0.00 0.00 30.24 29.51 3g61 n GLN 1114CO 0.00 0.00 0.00 -2.00 -1.44 0.00 0.00 177.06 173.62 3g61 s GLU 1115N -0.63 3.35 0.62 -1.09 2.56 -1.26 -4.90 118.70 117.36 3g61 s GLU 1115Ca 0.00 0.04 -0.16 0.00 0.00 0.00 0.00 54.97 54.85 3g61 s GLU 1115Cb 0.00 -4.10 -0.02 0.00 2.00 0.00 0.00 34.13 32.01 3g61 s GLU 1115CO 0.00 -1.92 1.11 -1.25 -0.56 0.00 0.00 175.26 172.64 3g61 s PRO 1116N 5.36 2.99 0.03 4.30 0.04 -1.26 -5.06 135.00 141.40 3g61 s PRO 1116Ca 0.40 1.44 -0.16 0.00 0.04 0.00 0.00 61.00 62.72 3g61 s PRO 1116Cb -0.08 -1.97 0.03 0.00 0.04 0.00 0.00 34.50 32.52 3g61 s PRO 1116CO 0.21 -1.11 0.36 -1.50 0.04 0.00 0.00 177.00 175.00 3g61 s ILE 1117N -2.19 0.06 -0.27 0.56 1.10 -1.26 -5.01 121.20 114.19 3g61 s ILE 1117Ca 0.68 -0.53 -0.21 0.00 -0.51 0.00 0.00 60.65 60.09 3g61 s ILE 1117Cb -0.21 -0.88 0.08 0.00 0.15 0.00 0.00 42.46 41.60 3g61 s ILE 1117CO 0.37 -0.29 0.72 -1.48 -2.11 0.00 0.00 174.94 172.15 3g61 s LEU 1118N -1.85 -0.82 1.44 8.50 0.05 -1.26 -5.00 118.68 119.75 3g61 s LEU 1118Ca -0.07 1.45 -0.23 0.00 0.05 0.00 0.00 54.13 55.32 3g61 s LEU 1118Cb -0.02 2.40 0.37 0.00 -2.05 0.00 0.00 46.19 46.90 3g61 s LEU 1118CO -0.01 -0.24 0.86 0.33 -0.55 0.00 0.00 176.35 176.74 3g61 n PHE 1119N 3.38 -3.54 -1.01 3.48 7.35 -1.26 -4.77 117.46 121.08 3g61 n PHE 1119Ca -0.17 -0.73 -0.20 0.00 -0.76 0.00 0.00 57.45 55.60 3g61 n PHE 1119Cb 0.57 -1.37 0.03 0.00 0.35 0.00 0.00 39.48 39.06 3g61 n PHE 1119CO 0.00 0.00 0.00 -0.40 -0.76 0.00 0.00 176.76 175.60 3g61 n ASP 1120N -5.55 6.62 -2.03 -2.13 5.68 -1.26 -4.76 116.55 113.12 3g61 n ASP 1120Ca 0.12 -3.17 0.00 0.00 -0.50 0.00 0.00 54.79 51.25 3g61 n ASP 1120Cb 0.59 -1.07 0.00 0.00 -1.14 0.00 0.00 41.12 39.50 3g61 n ASP 1120CO 0.00 0.00 0.00 0.00 -1.33 0.00 0.00 177.20 175.87 3g61 s SER 1122N -1.00 7.19 0.27 0.00 0.15 -1.26 -0.65 113.70 118.40 3g61 s SER 1122Ca 0.00 1.55 -0.01 0.00 0.70 0.00 0.00 55.95 58.18 3g61 s SER 1122Cb 0.00 -2.47 0.44 0.00 -1.71 0.00 0.00 66.02 62.28 3g61 s SER 1122CO 0.00 0.06 1.88 0.16 1.20 0.00 0.00 173.24 176.55 3g61 h ILE 1123N 2.87 1.07 -0.83 6.45 3.07 -1.49 0.78 117.51 129.43 3g61 h ILE 1123Ca -0.47 -0.39 0.21 0.00 1.55 0.00 0.00 64.86 65.75 3g61 h ILE 1123Cb 1.20 -0.17 -0.05 0.00 -0.27 0.00 0.00 36.82 37.53 3g61 h ILE 1123CO 0.65 0.21 0.57 0.00 -1.05 0.00 0.00 178.15 178.53 3g61 h ALA 1124N 1.47 2.42 0.18 0.16 0.00 -1.60 0.79 119.26 122.68 3g61 h ALA 1124Ca 0.43 -0.00 -0.25 0.00 0.00 0.00 0.00 54.91 55.08 3g61 h ALA 1124Cb 0.20 0.01 0.03 0.00 0.00 0.00 0.00 17.79 18.02 3g61 h ALA 1124CO -0.17 -0.67 -1.10 0.93 0.00 0.00 0.00 179.25 178.24 3g61 h GLU 1125N 0.23 0.43 0.05 0.00 4.39 -0.01 -1.74 114.58 117.93 3g61 h GLU 1125Ca 0.42 -0.70 -0.00 0.00 0.34 0.00 0.00 59.36 59.41 3g61 h GLU 1125Cb 1.27 0.26 -0.00 0.00 -0.10 0.00 0.00 28.75 30.17 3g61 h GLU 1125CO -0.10 1.33 -0.03 -0.91 -1.16 0.00 0.00 179.01 178.14 3g61 h ASN 1126N -0.10 -0.09 -0.57 1.42 -0.26 0.37 -3.09 115.58 113.27 3g61 h ASN 1126Ca -0.19 0.01 0.05 0.00 -0.56 0.00 0.00 56.30 55.61 3g61 h ASN 1126Cb 1.86 0.03 -0.07 0.00 -1.06 0.00 0.00 38.32 39.08 3g61 h ASN 1126CO 0.21 -0.05 -0.33 -0.38 -1.06 0.00 0.00 177.43 175.81 3g61 n ILE 1127N -2.40 -0.38 -0.14 2.81 5.41 0.24 -0.19 119.36 124.70 3g61 n ILE 1127Ca -0.01 1.82 -0.01 0.00 1.00 0.00 0.00 62.75 65.55 3g61 n ILE 1127Cb 0.03 -2.29 -0.02 0.00 -0.71 0.00 0.00 39.64 36.66 3g61 n ILE 1127CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 176.55 176.55 3g61 n ALA 1128N -3.18 2.02 -1.52 -1.39 0.00 -0.65 -4.56 120.51 111.23 3g61 n ALA 1128Ca 0.01 -0.17 -0.34 0.00 0.00 0.00 0.00 53.44 52.94 3g61 n ALA 1128Cb 0.15 -2.03 -0.13 0.00 0.00 0.00 0.00 19.45 17.43 3g61 n ALA 1128CO 0.00 0.00 0.00 0.66 0.00 0.00 0.00 177.50 178.16 3g61 n TYR 1129N 2.39 0.68 -1.04 0.00 4.01 0.74 -4.68 117.16 119.25 3g61 n TYR 1129Ca 0.04 0.22 -0.30 0.00 -0.16 0.00 0.00 57.90 57.70 3g61 n TYR 1129Cb 0.14 -2.08 -0.12 0.00 -0.31 0.00 0.00 39.34 36.97 3g61 n TYR 1129CO 0.00 0.00 0.00 0.41 -0.46 0.00 0.00 176.86 176.81 3g61 n GLY 1130N 6.22 0.10 0.44 2.72 0.00 -1.26 -4.65 105.19 108.77 3g61 n GLY 1130Ca 0.59 -0.46 -0.16 0.00 0.00 0.00 0.00 46.02 45.98 3g61 n GLY 1130CO 0.00 0.00 0.00 -0.55 0.00 0.00 0.00 173.32 172.77 3g61 h ASP 1131N 10.74 -1.24 0.00 1.61 5.19 -1.84 -3.47 116.42 127.41 3g61 h ASP 1131Ca 0.14 0.10 0.00 0.00 -0.62 0.00 0.00 57.03 56.65 3g61 h ASP 1131Cb 0.84 0.41 0.00 0.00 0.18 0.00 0.00 39.33 40.76 3g61 h ASP 1131CO 1.55 -0.59 0.00 -0.46 -3.12 0.00 0.00 179.24 176.62 3g61 n ASN 1132N -5.14 0.00 0.33 6.45 6.94 -1.26 -4.78 115.26 117.80 3g61 n ASN 1132Ca -0.10 0.00 0.21 0.00 -0.02 0.00 0.00 54.58 54.67 3g61 n ASN 1132Cb 0.41 0.00 1.13 0.00 -2.36 0.00 0.00 39.78 38.96 3g61 n ASN 1132CO 0.00 0.00 0.00 0.28 -1.03 0.00 0.00 177.26 176.51 3g61 h SER 1133N 0.00 0.00 0.00 0.53 0.02 -1.99 -3.41 113.55 108.70 3g61 h SER 1133Ca 0.00 0.00 -0.03 0.00 -0.84 0.00 0.00 61.79 60.92 3g61 h SER 1133Cb 0.00 0.00 -0.01 0.00 0.14 0.00 0.00 62.40 62.53 3g61 h SER 1133CO 0.00 0.00 1.02 0.54 -1.14 0.00 0.00 176.83 177.26 3g61 n ARG 1134N -3.22 0.00 -1.63 3.45 5.12 -1.26 -4.81 116.66 114.32 3g61 n ARG 1134Ca -0.03 0.00 -0.37 0.00 -1.93 0.00 0.00 57.85 55.53 3g61 n ARG 1134Cb 0.09 -0.94 0.08 0.00 -1.16 0.00 0.00 32.46 30.53 3g61 n ARG 1134CO 0.00 0.00 0.00 1.55 -1.93 0.00 0.00 177.63 177.25 3g61 n VAL 1135N 4.30 4.42 -1.81 1.55 3.14 -1.26 -4.39 118.33 124.27 3g61 n VAL 1135Ca 0.06 -0.46 -0.21 0.00 -2.96 0.00 0.00 64.34 60.77 3g61 n VAL 1135Cb 0.44 -1.40 -0.08 0.00 -1.06 0.00 0.00 33.84 31.73 3g61 n VAL 1135CO 0.00 0.00 0.00 -0.69 -6.46 0.00 0.00 176.83 169.68 3g61 s VAL 1136N -1.50 3.25 -0.55 1.55 1.01 -1.26 -4.88 120.40 118.02 3g61 s VAL 1136Ca 0.81 -0.37 -0.28 0.00 0.00 0.00 0.00 61.98 62.14 3g61 s VAL 1136Cb -0.37 -4.02 0.01 0.00 0.00 0.00 0.00 36.38 32.00 3g61 s VAL 1136CO 0.42 -0.48 1.39 -0.55 0.00 0.00 0.00 175.10 175.88 3g61 s SER 1137N 8.20 6.19 0.10 3.32 0.15 -1.26 -4.93 113.70 125.47 3g61 s SER 1137Ca 0.77 0.32 -0.32 0.00 0.70 0.00 0.00 55.95 57.43 3g61 s SER 1137Cb -0.05 -2.55 -0.12 0.00 -1.71 0.00 0.00 66.02 61.59 3g61 s SER 1137CO 0.12 -1.65 1.59 0.22 1.20 0.00 0.00 173.24 174.72 3g61 h TYR 1138N 10.86 -1.15 0.00 3.44 5.03 -1.98 0.96 116.97 134.12 3g61 h TYR 1138Ca -0.27 0.02 -0.02 0.00 2.58 0.00 0.00 58.73 61.05 3g61 h TYR 1138Cb 1.09 0.47 -0.00 0.00 1.55 0.00 0.00 36.73 39.84 3g61 h TYR 1138CO 1.03 -0.54 -0.08 1.05 -1.32 0.00 0.00 178.16 178.30 3g61 h GLU 1139N -0.73 0.00 -0.00 1.82 9.09 -1.98 0.81 114.58 123.59 3g61 h GLU 1139Ca -0.00 0.00 -0.01 0.00 0.05 0.00 0.00 59.36 59.40 3g61 h GLU 1139Cb 0.71 0.00 0.00 0.00 -1.65 0.00 0.00 28.75 27.81 3g61 h GLU 1139CO -0.17 0.08 -0.03 1.49 0.05 0.00 0.00 179.01 180.42 3g61 h GLU 1140N 0.00 0.03 -0.35 1.06 4.22 -1.69 -1.84 114.58 116.01 3g61 h GLU 1140Ca -0.00 -0.03 -0.10 0.00 0.08 0.00 0.00 59.36 59.31 3g61 h GLU 1140Cb 0.36 0.01 -0.01 0.00 0.50 0.00 0.00 28.75 29.60 3g61 h GLU 1140CO 0.01 0.77 -0.21 -0.84 -2.18 0.00 0.00 179.01 176.57 3g61 h ILE 1141N -0.71 1.27 -0.10 2.32 3.07 0.12 -1.22 117.51 122.26 3g61 h ILE 1141Ca -0.00 -1.27 0.03 0.00 1.55 0.00 0.00 64.86 65.17 3g61 h ILE 1141Cb 0.78 1.22 -0.03 0.00 -0.27 0.00 0.00 36.82 38.53 3g61 h ILE 1141CO 0.01 0.42 -0.09 0.58 -1.05 0.00 0.00 178.15 178.02 3g61 h VAL 1142N 0.59 0.74 -0.83 0.16 2.07 -0.90 0.34 116.25 118.43 3g61 h VAL 1142Ca 0.09 0.00 0.23 0.00 0.82 0.00 0.00 66.70 67.84 3g61 h VAL 1142Cb 0.67 0.74 -0.04 0.00 -1.52 0.00 0.00 31.29 31.15 3g61 h VAL 1142CO 0.05 0.00 0.58 -0.09 0.02 0.00 0.00 177.57 178.13 3g61 h ARG 1143N -0.11 0.08 0.27 1.57 9.65 -0.61 0.38 114.38 125.62 3g61 h ARG 1143Ca 0.07 -0.00 -0.01 0.00 -1.10 0.00 0.00 59.98 58.93 3g61 h ARG 1143Cb 0.21 -0.02 0.00 0.00 -1.39 0.00 0.00 29.97 28.77 3g61 h ARG 1143CO -0.16 0.05 -0.13 0.00 2.80 0.00 0.00 179.97 182.53 3g61 h ALA 1144N 1.60 -0.36 -0.05 2.80 0.00 0.78 -1.87 119.26 122.15 3g61 h ALA 1144Ca 0.40 -0.20 0.02 0.00 0.00 0.00 0.00 54.91 55.13 3g61 h ALA 1144Cb 1.46 0.14 -0.00 0.00 0.00 0.00 0.00 17.79 19.39 3g61 h ALA 1144CO -0.04 -0.47 0.04 0.00 0.00 0.00 0.00 179.25 178.78 3g61 h ALA 1145N -0.31 2.03 0.91 0.00 0.00 0.10 1.04 119.26 123.02 3g61 h ALA 1145Ca -0.04 -0.00 -0.04 0.00 0.00 0.00 0.00 54.91 54.83 3g61 h ALA 1145Cb 0.51 0.00 0.01 0.00 0.00 0.00 0.00 17.79 18.32 3g61 h ALA 1145CO 0.06 -0.07 -0.44 0.87 0.00 0.00 0.00 179.25 179.68 3g61 h LYS 1146N 0.00 -1.18 0.01 0.00 1.79 -0.87 -1.69 116.57 114.63 3g61 h LYS 1146Ca 0.03 0.08 -0.19 0.00 -2.18 0.00 0.00 60.65 58.38 3g61 h LYS 1146Cb 0.11 0.27 -0.01 0.00 -1.58 0.00 0.00 32.23 31.01 3g61 h LYS 1146CO -0.00 -0.78 -0.88 1.49 -1.08 0.00 0.00 179.45 178.20 3g61 h GLU 1147N -1.25 0.15 0.00 3.15 4.57 -0.79 -3.05 114.58 117.37 3g61 h GLU 1147Ca -0.12 -0.17 0.00 0.00 -1.18 0.00 0.00 59.36 57.88 3g61 h GLU 1147Cb 0.94 0.05 0.00 0.00 -0.16 0.00 0.00 28.75 29.58 3g61 h GLU 1147CO 0.20 0.93 0.00 0.00 -1.18 0.00 0.00 179.01 178.97 3g61 n ALA 1148N -2.44 2.07 -0.68 2.92 0.00 0.35 -4.61 120.51 118.12 3g61 n ALA 1148Ca -0.03 -0.10 0.00 0.00 0.00 0.00 0.00 53.44 53.31 3g61 n ALA 1148Cb 0.81 -1.30 0.00 0.00 0.00 0.00 0.00 19.45 18.97 3g61 n ALA 1148CO 0.00 0.00 0.00 0.09 0.00 0.00 0.00 177.50 177.59 3g61 n ASN 1149N -1.15 -1.57 -0.62 0.00 5.03 -0.70 -4.68 115.26 111.56 3g61 n ASN 1149Ca 0.11 0.00 0.06 0.00 0.87 0.00 0.00 54.58 55.62 3g61 n ASN 1149Cb 0.11 -2.46 0.17 0.00 -1.02 0.00 0.00 39.78 36.58 3g61 n ASN 1149CO 0.00 0.00 0.00 0.00 -1.83 0.00 0.00 177.26 175.43 3g61 n ILE 1150N -2.03 0.44 0.41 2.41 0.13 -1.05 -3.82 119.36 115.84 3g61 n ILE 1150Ca 0.00 -0.44 0.13 0.00 -1.10 0.00 0.00 62.75 61.33 3g61 n ILE 1150Cb 0.12 0.23 0.50 0.00 -0.84 0.00 0.00 39.64 39.65 3g61 n ILE 1150CO 0.00 0.00 0.00 -0.74 2.80 0.00 0.00 176.55 178.61 3g61 h HIS 1151N 1.99 0.00 -0.77 9.51 2.76 -1.68 -1.98 115.15 124.98 3g61 h HIS 1151Ca 0.00 0.00 -0.03 0.00 -2.20 0.00 0.00 60.37 58.14 3g61 h HIS 1151Cb 0.45 0.00 -0.03 0.00 1.55 0.00 0.00 27.41 29.38 3g61 h HIS 1151CO 0.22 0.00 0.36 1.96 -1.30 0.00 0.00 177.93 179.17 3g61 h GLN 1152N 0.00 1.11 0.08 5.26 4.20 -1.86 0.14 115.11 124.04 3g61 h GLN 1152Ca 0.00 -0.17 -0.12 0.00 0.06 0.00 0.00 58.65 58.42 3g61 h GLN 1152Cb 0.43 -0.20 0.01 0.00 0.30 0.00 0.00 27.48 28.03 3g61 h GLN 1152CO 0.00 0.87 -0.54 0.74 -0.67 0.00 0.00 178.83 179.23 3g61 h PHE 1153N 1.08 0.32 -0.92 2.96 -1.00 -1.78 -3.32 116.94 114.29 3g61 h PHE 1153Ca 0.26 -0.24 0.25 0.00 2.81 0.00 0.00 57.97 61.06 3g61 h PHE 1153Cb 0.13 -0.01 -0.14 0.00 3.61 0.00 0.00 35.95 39.54 3g61 h PHE 1153CO 0.01 1.21 0.39 0.82 -1.61 0.00 0.00 178.31 179.12 3g61 h ILE 1154N -0.62 0.37 0.00 -0.55 2.04 -1.18 -2.89 117.51 114.68 3g61 h ILE 1154Ca -0.10 -0.11 0.00 0.00 1.00 0.00 0.00 64.86 65.65 3g61 h ILE 1154Cb 1.40 0.03 0.00 0.00 -0.74 0.00 0.00 36.82 37.51 3g61 h ILE 1154CO 0.08 0.06 0.00 0.47 0.00 0.00 0.00 178.15 178.76 3g61 n ASP 1155N -5.11 0.00 0.00 1.72 8.00 0.02 -4.36 116.55 116.83 3g61 n ASP 1155Ca 0.24 0.46 0.00 0.00 0.71 0.00 0.00 54.79 56.20 3g61 n ASP 1155Cb 0.75 0.00 0.00 0.00 -0.02 0.00 0.00 41.12 41.85 3g61 n ASP 1155CO 0.00 0.00 0.00 -1.54 -0.39 0.00 0.00 177.20 175.27 3g61 n SER 1156N -0.84 0.00 -1.82 -2.24 3.41 -1.09 -4.81 113.62 106.23 3g61 n SER 1156Ca 0.00 0.00 0.00 0.00 -0.26 0.00 0.00 58.87 58.61 3g61 n SER 1156Cb 0.00 0.00 0.00 0.00 -0.26 0.00 0.00 64.21 63.95 3g61 n SER 1156CO 0.00 0.00 0.00 0.18 -0.16 0.00 0.00 175.04 175.06 3g61 n LEU 1157N 0.00 -2.11 0.00 1.04 7.99 -1.23 -4.12 117.00 118.57 3g61 n LEU 1157Ca 0.00 0.65 0.00 0.00 -0.01 0.00 0.00 56.01 56.65 3g61 n LEU 1157Cb 0.00 -1.02 0.00 0.00 -0.11 0.00 0.00 43.42 42.29 3g61 n LEU 1157CO 0.00 -1.60 0.00 -2.65 -1.51 0.00 0.00 177.39 171.63 3g61 n PRO 1158N 1.97 0.00 0.00 3.23 -0.02 -1.26 -2.96 135.00 135.95 3g61 n PRO 1158Ca 0.00 0.00 0.00 0.00 -2.02 0.00 0.00 63.50 61.48 3g61 n PRO 1158Cb 0.00 0.00 0.00 0.00 -0.02 0.00 0.00 33.50 33.48 3g61 n PRO 1158CO 0.00 0.00 0.00 -0.25 1.98 0.00 0.00 175.50 177.23 3g61 n ASP 1159N 0.00 0.00 0.02 2.55 10.43 -1.26 -4.49 116.55 123.80 3g61 n ASP 1159Ca 0.00 0.00 0.00 0.00 2.57 0.00 0.00 54.79 57.36 3g61 n ASP 1159Cb 0.00 0.00 0.00 0.00 1.84 0.00 0.00 41.12 42.96 3g61 n ASP 1159CO 0.00 0.00 0.00 0.29 -1.07 0.00 0.00 177.20 176.42 3g61 n LYS 1160N 12.68 0.00 -0.00 -1.24 5.02 -1.16 -4.89 118.16 128.57 3g61 n LYS 1160Ca 0.00 0.00 0.05 0.00 -2.02 0.00 0.00 58.31 56.34 3g61 n LYS 1160Cb 0.00 0.00 -0.06 0.00 -0.02 0.00 0.00 35.03 34.95 3g61 n LYS 1160CO 0.00 0.00 0.00 0.66 -0.52 0.00 0.00 177.40 177.54 3g61 n TYR 1161N -2.16 0.00 1.31 2.13 0.53 -1.26 -4.46 117.16 113.25 3g61 n TYR 1161Ca 0.00 0.00 0.13 0.00 -1.02 0.00 0.00 57.90 57.01 3g61 n TYR 1161Cb 0.00 -0.05 0.44 0.00 -1.03 0.00 0.00 39.34 38.70 3g61 n TYR 1161CO 0.00 0.00 0.00 0.09 -1.02 0.00 0.00 176.86 175.93 3g61 n ASN 1162N -1.37 1.03 -4.62 7.72 3.02 -1.26 -1.72 115.26 118.06 3g61 n ASN 1162Ca 0.01 -0.96 -0.43 0.00 -0.03 0.00 0.00 54.58 53.18 3g61 n ASN 1162Cb 0.18 0.08 -0.03 0.00 -0.61 0.00 0.00 39.78 39.41 3g61 n ASN 1162CO 0.00 0.00 0.00 -0.89 -2.62 0.00 0.00 177.26 173.75 3g61 s THR 1163N -2.41 3.02 1.07 3.41 2.01 -1.26 -4.70 115.64 116.78 3g61 s THR 1163Ca 0.27 0.02 -0.12 0.00 0.31 0.00 0.00 61.69 62.17 3g61 s THR 1163Cb 0.20 -3.02 0.23 0.00 0.01 0.00 0.00 72.50 69.92 3g61 s THR 1163CO 0.48 -0.01 1.06 -0.60 -0.69 0.00 0.00 174.62 174.86 3g61 s ARG 1164N 5.77 -0.17 0.33 4.92 3.52 -1.26 -1.67 118.95 130.38 3g61 s ARG 1164Ca 0.97 0.88 0.24 0.00 -0.13 0.00 0.00 55.73 57.68 3g61 s ARG 1164Cb -0.36 -1.64 1.19 0.00 -1.56 0.00 0.00 34.95 32.59 3g61 s ARG 1164CO 0.37 -3.23 1.72 -0.39 -0.81 0.00 0.00 175.30 172.96 3g61 h VAL 1165N -2.27 0.00 -4.54 7.11 -1.51 -1.11 -3.43 116.25 110.50 3g61 h VAL 1165Ca -0.56 -0.07 0.00 0.00 -1.23 0.00 0.00 66.70 64.83 3g61 h VAL 1165Cb 1.32 0.66 0.00 0.00 -2.13 0.00 0.00 31.29 31.13 3g61 h VAL 1165CO 0.51 0.00 -0.65 0.61 -1.23 0.00 0.00 177.57 176.81 3g61 n GLY 1166N -0.92 -3.46 1.51 5.19 0.00 -1.26 -3.03 105.19 103.22 3g61 n GLY 1166Ca -0.01 0.36 0.00 0.00 0.00 0.00 0.00 46.02 46.38 3g61 n GLY 1166CO 0.00 0.00 0.00 1.34 0.00 0.00 0.00 173.32 174.66 3g61 n ASP 1167N 0.36 -2.20 0.00 1.61 2.03 -1.26 -3.46 116.55 113.63 3g61 n ASP 1167Ca 0.01 0.00 0.00 0.00 0.52 0.00 0.00 54.79 55.32 3g61 n ASP 1167Cb 0.05 -0.38 0.00 0.00 -0.72 0.00 0.00 41.12 40.08 3g61 n ASP 1167CO 0.00 0.00 0.00 0.29 -1.92 0.00 0.00 177.20 175.57 3g61 n LYS 1168N -2.68 0.00 0.00 -0.67 4.01 -1.26 -4.28 118.16 113.28 3g61 n LYS 1168Ca 0.00 0.00 0.00 0.00 -0.51 0.00 0.00 58.31 57.80 3g61 n LYS 1168Cb 0.02 -0.16 0.00 0.00 -0.51 0.00 0.00 35.03 34.37 3g61 n LYS 1168CO 0.00 0.00 0.00 0.41 -1.11 0.00 0.00 177.40 176.70 3g61 n GLY 1169N -2.00 1.97 2.78 0.72 0.00 -1.17 -4.40 105.19 103.09 3g61 n GLY 1169Ca 0.00 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.62 3g61 n GLY 1169CO 0.00 0.00 0.00 2.41 0.00 0.00 0.00 173.32 175.73 3g61 n THR 1170N -0.07 4.80 -2.12 2.61 -1.04 -1.23 -4.29 114.28 112.95 3g61 n THR 1170Ca 0.00 -5.09 -0.04 0.00 -2.04 0.00 0.00 64.05 56.88 3g61 n THR 1170Cb 0.00 -1.39 -0.04 0.00 -1.82 0.00 0.00 70.33 67.08 3g61 n THR 1170CO 0.00 0.00 0.00 0.00 -0.64 0.00 0.00 175.07 174.43 3g61 n GLN 1171N -0.30 0.00 -3.74 -2.82 10.64 -1.26 -4.95 117.38 114.95 3g61 n GLN 1171Ca 0.51 -1.18 -0.10 0.00 -1.83 0.00 0.00 57.00 54.40 3g61 n GLN 1171Cb 0.25 0.33 -0.04 0.00 -0.86 0.00 0.00 30.24 29.91 3g61 n GLN 1171CO 0.00 0.00 0.00 -0.51 -1.83 0.00 0.00 177.06 174.72 3g61 s LEU 1172N 0.00 0.08 0.24 2.61 1.43 -1.26 -5.08 118.68 116.70 3g61 s LEU 1172Ca 0.08 -0.48 -0.08 0.00 -1.03 0.00 0.00 54.13 52.62 3g61 s LEU 1172Cb 0.09 2.13 -0.07 0.00 0.03 0.00 0.00 46.19 48.38 3g61 s LEU 1172CO -0.04 -1.05 0.54 -0.55 0.23 0.00 0.00 176.35 175.47 3g61 s SER 1173N -2.87 6.57 0.59 2.29 0.15 -1.26 -4.94 113.70 114.23 3g61 s SER 1173Ca 0.09 0.84 0.29 0.00 0.70 0.00 0.00 55.95 57.87 3g61 s SER 1173Cb -0.01 -2.19 1.51 0.00 -1.71 0.00 0.00 66.02 63.61 3g61 s SER 1173CO -0.03 -0.09 1.92 1.23 1.20 0.00 0.00 173.24 177.47 3g61 h GLY 1174N 2.35 0.00 0.98 9.45 0.00 -1.99 0.19 103.07 114.06 3g61 h GLY 1174Ca -0.47 0.00 -0.12 0.00 0.00 0.00 0.00 47.33 46.74 3g61 h GLY 1174CO 0.69 0.00 -0.26 -1.33 0.00 0.00 0.00 176.54 175.64 3g61 h GLY 1175N 0.00 0.79 0.61 4.60 0.00 -1.93 -1.59 103.07 105.56 3g61 h GLY 1175Ca 0.18 -0.78 -0.01 0.00 0.00 0.00 0.00 47.33 46.72 3g61 h GLY 1175CO -0.00 0.71 -0.01 1.46 0.00 0.00 0.00 176.54 178.69 3g61 h GLN 1176N 0.49 0.06 0.04 4.80 7.50 -1.04 -1.68 115.11 125.27 3g61 h GLN 1176Ca 0.06 -0.03 0.00 0.00 0.50 0.00 0.00 58.65 59.18 3g61 h GLN 1176Cb 0.82 -0.00 -0.01 0.00 0.05 0.00 0.00 27.48 28.34 3g61 h GLN 1176CO 0.07 0.46 -0.09 0.87 -1.50 0.00 0.00 178.83 178.63 3g61 h LYS 1177N -0.35 -0.14 -0.97 1.46 1.57 -1.33 -1.61 116.57 115.21 3g61 h LYS 1177Ca 0.01 0.01 0.29 0.00 -1.87 0.00 0.00 60.65 59.08 3g61 h LYS 1177Cb 0.44 0.03 -0.18 0.00 0.08 0.00 0.00 32.23 32.61 3g61 h LYS 1177CO 0.00 -0.09 0.15 1.96 -0.57 0.00 0.00 179.45 180.90 3g61 h GLN 1178N -0.14 0.04 -0.62 3.15 1.08 -1.35 1.28 115.11 118.54 3g61 h GLN 1178Ca -0.00 -0.00 0.10 0.00 -1.45 0.00 0.00 58.65 57.29 3g61 h GLN 1178Cb 0.14 -0.01 -0.08 0.00 -0.05 0.00 0.00 27.48 27.48 3g61 h GLN 1178CO -0.04 0.03 0.22 0.00 -0.95 0.00 0.00 178.83 178.08 3g61 h ARG 1179N 0.04 0.37 -0.56 1.46 3.08 -0.73 1.18 114.38 119.22 3g61 h ARG 1179Ca 0.63 -0.02 -0.07 0.00 0.07 0.00 0.00 59.98 60.59 3g61 h ARG 1179Cb 1.38 -0.08 -0.02 0.00 0.08 0.00 0.00 29.97 31.32 3g61 h ARG 1179CO -0.85 0.25 0.07 0.82 -1.07 0.00 0.00 179.97 179.19 3g61 h ILE 1180N 0.38 1.25 -0.68 2.04 2.04 0.24 0.90 117.51 123.68 3g61 h ILE 1180Ca 0.32 -0.97 0.11 0.00 1.00 0.00 0.00 64.86 65.32 3g61 h ILE 1180Cb 0.41 0.73 -0.08 0.00 -0.74 0.00 0.00 36.82 37.14 3g61 h ILE 1180CO -0.33 0.35 0.28 0.00 0.00 0.00 0.00 178.15 178.45 3g61 h ALA 1181N 1.22 0.92 0.56 1.87 0.00 0.38 1.20 119.26 125.41 3g61 h ALA 1181Ca 0.17 0.09 -0.03 0.00 0.00 0.00 0.00 54.91 55.15 3g61 h ALA 1181Cb 0.40 0.05 0.01 0.00 0.00 0.00 0.00 17.79 18.25 3g61 h ALA 1181CO 0.01 -0.17 -0.27 0.82 0.00 0.00 0.00 179.25 179.65 3g61 h ILE 1182N 0.46 0.36 -1.41 0.00 1.08 0.24 -1.35 117.51 116.90 3g61 h ILE 1182Ca 0.35 -0.29 0.46 0.00 -0.39 0.00 0.00 64.86 65.00 3g61 h ILE 1182Cb 0.46 0.47 -0.13 0.00 -3.07 0.00 0.00 36.82 34.55 3g61 h ILE 1182CO -0.33 0.04 0.92 0.00 -0.69 0.00 0.00 178.15 178.09 3g61 h ALA 1183N -0.64 2.89 -0.18 1.87 0.00 0.34 0.80 119.26 124.34 3g61 h ALA 1183Ca -0.08 0.10 0.00 0.00 0.00 0.00 0.00 54.91 54.94 3g61 h ALA 1183Cb 0.64 0.22 0.00 0.00 0.00 0.00 0.00 17.79 18.64 3g61 h ALA 1183CO 0.13 -1.53 0.00 -2.13 0.00 0.00 0.00 179.25 175.71 3g61 n ARG 1184N -4.63 0.00 -0.02 0.00 0.63 0.39 -1.34 116.66 111.69 3g61 n ARG 1184Ca 0.39 0.47 -0.01 0.00 -0.92 0.00 0.00 57.85 57.78 3g61 n ARG 1184Cb 1.54 -1.40 -0.00 0.00 0.45 0.00 0.00 32.46 33.04 3g61 n ARG 1184CO 0.00 0.00 0.00 0.00 -2.51 0.00 0.00 177.63 175.12 3g61 h ALA 1185N -2.00 -0.05 -0.74 5.13 0.00 0.16 -1.27 119.26 120.48 3g61 h ALA 1185Ca 0.00 0.01 0.09 0.00 0.00 0.00 0.00 54.91 55.01 3g61 h ALA 1185Cb 0.00 1.00 -0.05 0.00 0.00 0.00 0.00 17.79 18.74 3g61 h ALA 1185CO 0.00 -0.07 0.49 1.37 0.00 0.00 0.00 179.25 181.04 3g61 h LEU 1186N -0.00 0.59 -2.33 0.00 8.10 -1.23 0.29 115.31 120.73 3g61 h LEU 1186Ca 0.01 0.01 -0.01 0.00 0.11 0.00 0.00 57.88 58.00 3g61 h LEU 1186Cb 0.02 -0.11 -0.00 0.00 -0.44 0.00 0.00 40.66 40.13 3g61 h LEU 1186CO -0.04 0.36 -0.04 1.62 -4.11 0.00 0.00 178.44 176.22 3g61 h VAL 1187N 0.66 0.38 0.00 0.15 3.04 -0.09 0.26 116.25 120.65 3g61 h VAL 1187Ca 0.34 -0.22 -0.02 0.00 -1.01 0.00 0.00 66.70 65.79 3g61 h VAL 1187Cb 0.45 1.16 -0.00 0.00 -2.01 0.00 0.00 31.29 30.89 3g61 h VAL 1187CO -0.12 0.04 -0.52 -0.09 -1.01 0.00 0.00 177.57 175.87 3g61 h ARG 1188N 0.00 0.00 -4.91 4.17 2.43 0.36 -3.49 114.38 112.94 3g61 h ARG 1188Ca -0.00 0.00 -0.25 0.00 -0.81 0.00 0.00 59.98 58.92 3g61 h ARG 1188Cb 0.15 0.00 0.14 0.00 -0.42 0.00 0.00 29.97 29.84 3g61 h ARG 1188CO 0.01 0.07 -0.63 1.04 -1.51 0.00 0.00 179.97 178.94 3g61 n GLN 1189N -2.94 -4.46 -0.44 0.20 1.13 0.90 -4.98 117.38 106.78 3g61 n GLN 1189Ca 0.01 0.68 -0.28 0.00 -1.94 0.00 0.00 57.00 55.47 3g61 n GLN 1189Cb 0.58 -5.12 0.24 0.00 0.11 0.00 0.00 30.24 26.04 3g61 n GLN 1189CO 0.00 0.00 0.00 -2.30 -1.44 0.00 0.00 177.06 173.32 3g61 n PRO 1190N -3.34 -3.06 0.00 -1.09 -0.02 -1.25 -4.93 135.00 121.29 3g61 n PRO 1190Ca -0.19 -0.89 0.00 0.00 -2.02 0.00 0.00 63.50 60.40 3g61 n PRO 1190Cb 0.63 -1.86 0.00 0.00 -0.02 0.00 0.00 33.50 32.24 3g61 n PRO 1190CO 0.00 0.00 0.00 0.72 1.98 0.00 0.00 175.50 178.20 3g61 n HIS 1191N -5.06 0.00 -3.73 6.00 8.25 -1.26 -4.96 115.22 114.45 3g61 n HIS 1191Ca 0.06 0.00 -0.12 0.00 -0.26 0.00 0.00 57.72 57.39 3g61 n HIS 1191Cb 0.54 0.00 -0.13 0.00 1.12 0.00 0.00 29.99 31.53 3g61 n HIS 1191CO 0.00 0.00 0.00 -1.50 0.64 0.00 0.00 176.34 175.48 3g61 s ILE 1192N -0.13 -0.04 -0.21 1.59 -1.16 -1.23 -2.71 121.20 117.31 3g61 s ILE 1192Ca 0.00 0.13 -0.05 0.00 -0.51 0.00 0.00 60.65 60.23 3g61 s ILE 1192Cb 0.00 -0.38 -0.02 0.00 0.61 0.00 0.00 42.46 42.67 3g61 s ILE 1192CO 0.00 0.05 -0.02 -0.76 -2.81 0.00 0.00 174.94 171.41 3g61 s LEU 1193N 1.15 3.09 -0.60 8.50 1.43 -0.40 -1.51 118.68 130.34 3g61 s LEU 1193Ca -0.08 -0.29 -0.12 0.00 -1.03 0.00 0.00 54.13 52.60 3g61 s LEU 1193Cb -0.09 -1.79 0.15 0.00 0.03 0.00 0.00 46.19 44.49 3g61 s LEU 1193CO -0.08 0.02 0.52 -0.76 0.23 0.00 0.00 176.35 176.28 3g61 s LEU 1194N 1.25 6.11 -0.67 1.79 1.43 0.81 -0.17 118.68 129.22 3g61 s LEU 1194Ca 0.03 -2.14 -0.17 0.00 -1.03 0.00 0.00 54.13 50.82 3g61 s LEU 1194Cb -0.14 -2.12 0.14 0.00 0.03 0.00 0.00 46.19 44.09 3g61 s LEU 1194CO -0.00 -0.70 0.72 -0.76 0.23 0.00 0.00 176.35 175.84 3g61 s LEU 1195N 1.03 5.86 -1.25 1.79 1.02 -0.69 -0.79 118.68 125.65 3g61 s LEU 1195Ca 0.09 -1.87 -0.10 0.00 0.02 0.00 0.00 54.13 52.26 3g61 s LEU 1195Cb -0.23 -2.27 0.17 0.00 0.02 0.00 0.00 46.19 43.88 3g61 s LEU 1195CO -0.02 -0.93 1.73 -0.67 0.02 0.00 0.00 176.35 176.49 3g61 n ASP 1196N 5.56 5.18 -3.33 2.29 4.64 -0.73 -1.44 116.55 128.71 3g61 n ASP 1196Ca -0.02 -3.08 -0.24 0.00 -1.38 0.00 0.00 54.79 50.07 3g61 n ASP 1196Cb 0.44 -1.50 0.03 0.00 -1.04 0.00 0.00 41.12 39.05 3g61 n ASP 1196CO 0.00 0.00 0.00 -0.62 -0.82 0.00 0.00 177.20 175.76 3g61 n GLU 1197N 4.26 -5.13 0.00 -0.67 1.02 -0.60 -2.99 120.64 116.53 3g61 n GLU 1197Ca 0.38 0.75 0.00 0.00 -0.02 0.00 0.00 57.16 58.27 3g61 n GLU 1197Cb 0.38 -5.61 0.00 0.00 -0.02 0.00 0.00 31.44 26.19 3g61 n GLU 1197CO 0.00 0.00 0.00 0.00 1.18 0.00 0.00 177.13 178.31 3g61 n ALA 1198N -3.96 0.00 -2.95 0.62 0.00 -1.26 -2.87 120.51 110.10 3g61 n ALA 1198Ca -0.05 0.00 -0.44 0.00 0.00 0.00 0.00 53.44 52.95 3g61 n ALA 1198Cb 0.58 0.02 -0.03 0.00 0.00 0.00 0.00 19.45 20.03 3g61 n ALA 1198CO 0.00 0.00 0.00 0.95 0.00 0.00 0.00 177.50 178.45 3g61 s THR 1199N -0.83 4.77 -0.14 0.00 -4.23 -1.26 -4.50 115.64 109.45 3g61 s THR 1199Ca 0.00 -1.57 0.14 0.00 -1.18 0.00 0.00 61.69 59.08 3g61 s THR 1199Cb 0.00 -4.75 -0.19 0.00 1.34 0.00 0.00 72.50 68.90 3g61 s THR 1199CO 0.00 -1.47 0.08 -1.20 -0.54 0.00 0.00 174.62 171.49 3g61 n SER 1200N 6.43 1.32 -3.87 3.99 7.64 -1.14 -4.80 113.62 123.20 3g61 n SER 1200Ca 0.22 0.00 -0.29 0.00 1.01 0.00 0.00 58.87 59.81 3g61 n SER 1200Cb 0.49 0.94 -0.12 0.00 -1.01 0.00 0.00 64.21 64.51 3g61 n SER 1200CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 3g61 s ALA 1201N -2.43 3.44 0.00 -0.43 0.00 -1.26 -5.06 121.76 116.02 3g61 s ALA 1201Ca -0.07 -3.54 0.00 0.00 0.00 0.00 0.00 51.96 48.35 3g61 s ALA 1201Cb 0.05 -2.11 0.00 0.00 0.00 0.00 0.00 23.12 21.06 3g61 s ALA 1201CO 0.62 -2.07 0.00 -0.11 0.00 0.00 0.00 175.76 174.20 3g61 n LEU 1202N 2.39 0.00 -3.87 0.00 7.94 -1.26 -4.93 117.00 117.27 3g61 n LEU 1202Ca 0.16 0.00 -0.04 0.00 -1.11 0.00 0.00 56.01 55.02 3g61 n LEU 1202Cb 0.35 0.00 0.02 0.00 0.53 0.00 0.00 43.42 44.32 3g61 n LEU 1202CO 0.27 0.00 0.76 1.51 -1.11 0.00 0.00 177.39 178.82 3g61 s ASP 1203N 1.67 0.01 0.00 1.96 3.84 -1.26 -4.99 116.67 117.89 3g61 s ASP 1203Ca 0.00 -0.78 0.00 0.00 -0.00 0.00 0.00 52.55 51.77 3g61 s ASP 1203Cb 0.00 0.57 0.00 0.00 -1.38 0.00 0.00 42.92 42.11 3g61 s ASP 1203CO 0.00 -1.14 0.00 1.07 -0.00 0.00 0.00 175.17 175.10 3g61 n THR 1204N -0.68 0.00 0.66 2.11 5.66 -1.26 -1.58 114.28 119.20 3g61 n THR 1204Ca -0.04 0.00 0.08 0.00 -3.05 0.00 0.00 64.05 61.04 3g61 n THR 1204Cb 0.59 0.00 0.39 0.00 -1.55 0.00 0.00 70.33 69.76 3g61 n THR 1204CO 0.00 0.00 0.00 -0.62 -3.05 0.00 0.00 175.07 171.40 3g61 n GLU 1205N 7.48 0.09 -0.02 1.09 1.02 -1.26 -1.81 120.64 127.23 3g61 n GLU 1205Ca 0.00 0.18 -0.12 0.00 -0.02 0.00 0.00 57.16 57.20 3g61 n GLU 1205Cb 0.00 -1.50 -0.10 0.00 -0.02 0.00 0.00 31.44 29.82 3g61 n GLU 1205CO 0.00 0.00 0.00 0.77 1.18 0.00 0.00 177.13 179.08 3g61 h SER 1206N 0.00 -0.04 0.53 1.62 0.02 -1.85 0.86 113.55 114.69 3g61 h SER 1206Ca 0.00 -0.63 -0.10 0.00 -0.84 0.00 0.00 61.79 60.22 3g61 h SER 1206Cb 0.25 0.01 -0.01 0.00 0.14 0.00 0.00 62.40 62.78 3g61 h SER 1206CO 0.00 0.65 -0.48 -0.33 -1.14 0.00 0.00 176.83 175.53 3g61 h GLU 1207N -0.79 0.00 0.36 3.45 5.08 -1.18 -1.69 114.58 119.82 3g61 h GLU 1207Ca -0.01 0.00 -0.02 0.00 -1.00 0.00 0.00 59.36 58.34 3g61 h GLU 1207Cb 0.67 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.92 3g61 h GLU 1207CO 0.01 0.48 -0.17 -0.22 -1.00 0.00 0.00 179.01 178.10 3g61 h LYS 1208N 0.00 -0.47 0.00 2.33 3.11 -1.35 -1.72 116.57 118.47 3g61 h LYS 1208Ca -0.00 0.03 0.00 0.00 -2.81 0.00 0.00 60.65 57.87 3g61 h LYS 1208Cb 0.87 0.11 0.00 0.00 -1.00 0.00 0.00 32.23 32.21 3g61 h LYS 1208CO 0.06 -0.31 0.00 -0.24 -2.81 0.00 0.00 179.45 176.15 3g61 h VAL 1209N -0.90 0.00 0.05 2.00 3.04 0.72 -1.35 116.25 119.81 3g61 h VAL 1209Ca -0.05 -0.04 -0.12 0.00 -1.01 0.00 0.00 66.70 65.49 3g61 h VAL 1209Cb 0.37 0.91 0.01 0.00 -2.01 0.00 0.00 31.29 30.57 3g61 h VAL 1209CO 0.08 0.00 -0.48 0.58 -1.01 0.00 0.00 177.57 176.74 3g61 h VAL 1210N 0.00 1.55 0.00 1.51 2.07 -1.33 -0.95 116.25 119.11 3g61 h VAL 1210Ca 0.00 -2.25 0.00 0.00 0.82 0.00 0.00 66.70 65.27 3g61 h VAL 1210Cb 0.04 2.99 0.00 0.00 -1.52 0.00 0.00 31.29 32.80 3g61 h VAL 1210CO 0.00 0.63 0.00 1.56 0.02 0.00 0.00 177.57 179.78 3g61 h GLN 1211N -0.46 0.00 0.00 1.57 1.08 -0.32 0.10 115.11 117.08 3g61 h GLN 1211Ca -0.07 0.00 -0.01 0.00 -1.45 0.00 0.00 58.65 57.11 3g61 h GLN 1211Cb 1.29 0.00 -0.00 0.00 -0.05 0.00 0.00 27.48 28.72 3g61 h GLN 1211CO 0.09 0.00 -0.24 1.49 -0.95 0.00 0.00 178.83 179.22 3g61 h GLU 1212N 0.00 0.00 -0.96 1.46 4.22 -1.31 -1.42 114.58 116.57 3g61 h GLU 1212Ca 0.00 0.00 0.13 0.00 0.08 0.00 0.00 59.36 59.57 3g61 h GLU 1212Cb 0.40 0.00 -0.09 0.00 0.50 0.00 0.00 28.75 29.57 3g61 h GLU 1212CO 0.00 0.16 0.58 0.00 -2.18 0.00 0.00 179.01 177.57 3g61 h ALA 1213N -0.87 1.47 -0.25 2.92 0.00 -1.15 0.59 119.26 121.96 3g61 h ALA 1213Ca -0.02 0.04 -0.06 0.00 0.00 0.00 0.00 54.91 54.87 3g61 h ALA 1213Cb 0.34 -0.16 -0.01 0.00 0.00 0.00 0.00 17.79 17.96 3g61 h ALA 1213CO -0.01 0.13 -0.09 1.25 0.00 0.00 0.00 179.25 180.52 3g61 h LEU 1214N 0.89 0.38 -0.27 0.00 6.46 -1.09 0.56 115.31 122.24 3g61 h LEU 1214Ca 0.49 -0.08 -0.18 0.00 -0.12 0.00 0.00 57.88 57.99 3g61 h LEU 1214Cb 0.56 -0.10 0.00 0.00 -0.73 0.00 0.00 40.66 40.39 3g61 h LEU 1214CO -0.29 0.52 -0.55 -0.78 -0.62 0.00 0.00 178.44 176.71 3g61 h ASP 1215N 0.38 0.96 1.50 1.25 3.58 0.11 -1.64 116.42 122.56 3g61 h ASP 1215Ca 0.08 -0.54 0.00 0.00 0.42 0.00 0.00 57.03 56.99 3g61 h ASP 1215Cb 0.40 -0.28 0.00 0.00 1.72 0.00 0.00 39.33 41.18 3g61 h ASP 1215CO 0.02 1.32 -0.46 0.11 -2.88 0.00 0.00 179.24 177.35 3g61 h LYS 1216N 0.63 0.00 -0.00 0.28 1.79 -0.03 -3.21 116.57 116.02 3g61 h LYS 1216Ca 0.01 0.00 0.00 0.00 -2.18 0.00 0.00 60.65 58.48 3g61 h LYS 1216Cb 1.16 0.00 0.00 0.00 -1.58 0.00 0.00 32.23 31.81 3g61 h LYS 1216CO 0.12 0.00 -0.44 0.00 -1.08 0.00 0.00 179.45 178.05 3g61 n ALA 1217N -2.11 3.45 -3.75 3.86 0.00 0.19 -4.79 120.51 117.37 3g61 n ALA 1217Ca 0.02 -0.41 -0.08 0.00 0.00 0.00 0.00 53.44 52.97 3g61 n ALA 1217Cb 0.53 -1.08 -0.00 0.00 0.00 0.00 0.00 19.45 18.90 3g61 n ALA 1217CO 0.00 0.00 0.00 2.89 0.00 0.00 0.00 177.50 180.39 3g61 n ARG 1218N -1.05 1.37 0.00 0.00 1.85 -0.62 -4.68 116.66 113.52 3g61 n ARG 1218Ca 0.08 -0.95 0.00 0.00 -1.00 0.00 0.00 57.85 55.98 3g61 n ARG 1218Cb 0.35 0.14 0.00 0.00 -1.05 0.00 0.00 32.46 31.90 3g61 n ARG 1218CO 0.00 0.00 0.00 -1.91 -0.01 0.00 0.00 177.63 175.71 3g61 n GLU 1219N -0.73 0.00 0.00 2.89 4.07 -1.26 -4.45 120.64 121.16 3g61 n GLU 1219Ca -0.02 0.00 0.14 0.00 -0.06 0.00 0.00 57.16 57.22 3g61 n GLU 1219Cb 0.17 -1.83 0.50 0.00 -0.06 0.00 0.00 31.44 30.21 3g61 n GLU 1219CO 0.00 0.00 0.00 0.41 -0.06 0.00 0.00 177.13 177.48 3g61 n GLY 1220N -0.51 -0.10 3.53 8.31 0.00 -1.26 -4.67 105.19 110.48 3g61 n GLY 1220Ca 0.00 -0.44 -0.10 0.00 0.00 0.00 0.00 46.02 45.48 3g61 n GLY 1220CO 0.00 0.00 0.00 1.09 0.00 0.00 0.00 173.32 174.41 3g61 s ARG 1221N -2.09 0.77 0.38 1.61 3.03 -1.26 -4.87 118.95 116.52 3g61 s ARG 1221Ca 0.36 -0.12 -0.25 0.00 2.03 0.00 0.00 55.73 57.74 3g61 s ARG 1221Cb 0.21 0.36 -0.12 0.00 -1.03 0.00 0.00 34.95 34.37 3g61 s ARG 1221CO 0.37 -0.30 0.97 2.41 -1.13 0.00 0.00 175.30 177.62 3g61 n THR 1222N 0.14 2.24 -3.36 4.99 -1.04 -1.10 -3.82 114.28 112.34 3g61 n THR 1222Ca -0.10 -0.50 0.02 0.00 -2.04 0.00 0.00 64.05 61.43 3g61 n THR 1222Cb 0.60 -1.07 -0.02 0.00 -1.82 0.00 0.00 70.33 68.02 3g61 n THR 1222CO 0.00 0.00 0.00 0.00 -0.64 0.00 0.00 175.07 174.43 3g61 s ILE 1224N 2.85 4.96 -0.58 0.00 1.01 0.76 -0.85 121.20 129.35 3g61 s ILE 1224Ca 0.08 1.62 0.04 0.00 0.00 0.00 0.00 60.65 62.39 3g61 s ILE 1224Cb -0.13 -4.12 0.14 0.00 0.01 0.00 0.00 42.46 38.37 3g61 s ILE 1224CO -0.19 0.25 0.33 0.54 0.00 0.00 0.00 174.94 175.87 3g61 s VAL 1225N 0.71 2.67 0.23 2.92 0.11 0.08 -1.70 120.40 125.42 3g61 s VAL 1225Ca 0.41 -3.62 -0.17 0.00 -2.93 0.00 0.00 61.98 55.67 3g61 s VAL 1225Cb -0.19 -2.82 -0.08 0.00 -1.53 0.00 0.00 36.38 31.76 3g61 s VAL 1225CO 0.21 -0.86 0.69 0.27 -3.33 0.00 0.00 175.10 172.08 3g61 s ILE 1226N -0.65 4.65 0.01 7.04 -5.25 -0.52 -1.61 121.20 124.86 3g61 s ILE 1226Ca 0.19 1.12 -0.16 0.00 -0.99 0.00 0.00 60.65 60.81 3g61 s ILE 1226Cb -0.19 -3.78 0.05 0.00 2.95 0.00 0.00 42.46 41.49 3g61 s ILE 1226CO -0.05 0.12 0.74 0.00 -1.79 0.00 0.00 174.94 173.96 3g61 n ALA 1227N 0.47 -2.07 -1.76 2.27 0.00 -0.85 -1.56 120.51 117.02 3g61 n ALA 1227Ca -0.01 -0.51 0.06 0.00 0.00 0.00 0.00 53.44 52.97 3g61 n ALA 1227Cb 0.52 0.14 0.14 0.00 0.00 0.00 0.00 19.45 20.25 3g61 n ALA 1227CO 0.00 0.00 0.00 1.58 0.00 0.00 0.00 177.50 179.08 3g61 n HIS 1228N -0.53 0.00 -2.52 0.00 -0.00 -1.26 -4.66 115.22 106.25 3g61 n HIS 1228Ca 0.02 -1.07 -0.41 0.00 0.46 0.00 0.00 57.72 56.71 3g61 n HIS 1228Cb 0.35 -0.20 0.01 0.00 -0.12 0.00 0.00 29.99 30.03 3g61 n HIS 1228CO 0.00 0.00 0.00 0.54 0.46 0.00 0.00 176.34 177.34 3g61 n ARG 1229N -0.70 4.81 0.00 1.57 5.12 -1.26 -4.77 116.66 121.42 3g61 n ARG 1229Ca 0.14 -4.20 0.00 0.00 -1.93 0.00 0.00 57.85 51.86 3g61 n ARG 1229Cb 0.79 -2.57 0.00 0.00 -1.16 0.00 0.00 32.46 29.52 3g61 n ARG 1229CO 0.00 0.00 0.00 1.28 -1.93 0.00 0.00 177.63 176.98 3g61 n LEU 1230N 1.17 0.00 -0.02 0.55 4.77 -1.26 -1.65 117.00 120.56 3g61 n LEU 1230Ca 0.45 0.00 -0.01 0.00 -0.03 0.00 0.00 56.01 56.42 3g61 n LEU 1230Cb 0.28 0.00 -0.00 0.00 -2.33 0.00 0.00 43.42 41.37 3g61 n LEU 1230CO 0.65 0.00 -0.09 -1.54 -1.33 0.00 0.00 177.39 175.07 3g61 n SER 1231N -0.87 0.41 -1.89 -1.43 3.41 -1.26 -4.45 113.62 107.54 3g61 n SER 1231Ca 0.00 0.29 -0.18 0.00 -0.26 0.00 0.00 58.87 58.72 3g61 n SER 1231Cb 0.00 -0.58 0.07 0.00 -0.26 0.00 0.00 64.21 63.45 3g61 n SER 1231CO 0.00 0.00 0.00 0.35 -0.16 0.00 0.00 175.04 175.23 3g61 n THR 1232N -2.81 2.71 1.02 6.66 -2.24 -0.85 -3.78 114.28 114.98 3g61 n THR 1232Ca -0.02 -1.62 0.11 0.00 -2.27 0.00 0.00 64.05 60.25 3g61 n THR 1232Cb 0.07 -1.03 0.01 0.00 -2.10 0.00 0.00 70.33 67.28 3g61 n THR 1232CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 3g61 n ILE 1233N -0.19 0.00 0.35 2.28 0.13 -0.66 -4.35 119.36 116.91 3g61 n ILE 1233Ca 0.37 -0.06 -0.15 0.00 -1.10 0.00 0.00 62.75 61.81 3g61 n ILE 1233Cb 0.86 0.87 -0.07 0.00 -0.84 0.00 0.00 39.64 40.46 3g61 n ILE 1233CO 0.00 0.00 0.00 1.56 2.80 0.00 0.00 176.55 180.91 3g61 h GLN 1234N 0.56 -0.87 -4.55 9.51 4.20 -1.85 -3.33 115.11 118.78 3g61 h GLN 1234Ca 0.00 0.06 -0.50 0.00 0.06 0.00 0.00 58.65 58.27 3g61 h GLN 1234Cb 0.55 0.20 0.09 0.00 0.30 0.00 0.00 27.48 28.62 3g61 h GLN 1234CO 0.00 -0.56 1.69 0.27 -0.67 0.00 0.00 178.83 179.56 3g61 n ASN 1235N -5.39 1.62 -3.73 1.46 6.94 -1.26 -4.70 115.26 110.19 3g61 n ASN 1235Ca -0.12 -2.46 -0.13 0.00 -0.02 0.00 0.00 54.58 51.85 3g61 n ASN 1235Cb 0.37 -0.73 -0.14 0.00 -2.36 0.00 0.00 39.78 36.92 3g61 n ASN 1235CO 0.00 0.00 0.00 0.00 -1.03 0.00 0.00 177.26 176.23 3g61 s ALA 1236N 5.79 -0.35 0.39 -2.53 0.00 -1.25 -5.05 121.76 118.77 3g61 s ALA 1236Ca 0.52 0.77 0.12 0.00 0.00 0.00 0.00 51.96 53.37 3g61 s ALA 1236Cb 0.12 -0.55 0.93 0.00 0.00 0.00 0.00 23.12 23.63 3g61 s ALA 1236CO 0.19 -0.21 1.90 -0.44 0.00 0.00 0.00 175.76 177.21 3g61 h ASP 1237N 7.34 0.52 -1.93 0.00 3.45 -1.62 -3.38 116.42 120.81 3g61 h ASP 1237Ca -0.40 0.03 -0.24 0.00 0.43 0.00 0.00 57.03 56.85 3g61 h ASP 1237Cb 1.14 -0.08 -0.31 0.00 -0.56 0.00 0.00 39.33 39.53 3g61 h ASP 1237CO 0.38 0.27 -0.57 -0.22 -1.57 0.00 0.00 179.24 177.54 3g61 s LEU 1238N -9.57 -0.54 -0.10 1.55 2.96 -0.63 -4.71 118.68 107.63 3g61 s LEU 1238Ca -0.09 -0.44 -0.24 0.00 -0.22 0.00 0.00 54.13 53.15 3g61 s LEU 1238Cb 0.21 0.86 -0.03 0.00 0.50 0.00 0.00 46.19 47.73 3g61 s LEU 1238CO 0.78 -0.36 0.73 -0.63 -1.32 0.00 0.00 176.35 175.55 3g61 s ILE 1239N 2.47 5.00 -0.23 6.68 1.09 -0.65 0.19 121.20 135.75 3g61 s ILE 1239Ca 0.10 1.48 0.02 0.00 -1.10 0.00 0.00 60.65 61.15 3g61 s ILE 1239Cb -0.13 -4.06 0.05 0.00 -1.06 0.00 0.00 42.46 37.25 3g61 s ILE 1239CO -0.29 0.18 -0.14 -0.69 -0.10 0.00 0.00 174.94 173.91 3g61 s VAL 1240N 1.22 2.10 -0.44 2.92 1.01 -0.62 -1.72 120.40 124.88 3g61 s VAL 1240Ca 0.37 -1.39 -0.24 0.00 0.00 0.00 0.00 61.98 60.72 3g61 s VAL 1240Cb -0.17 -2.12 0.02 0.00 0.00 0.00 0.00 36.38 34.11 3g61 s VAL 1240CO 0.16 0.15 0.84 -0.69 0.00 0.00 0.00 175.10 175.56 3g61 s VAL 1241N 1.18 4.60 -0.10 2.92 1.01 -0.63 -1.59 120.40 127.79 3g61 s VAL 1241Ca -0.04 0.65 -0.01 0.00 0.00 0.00 0.00 61.98 62.58 3g61 s VAL 1241Cb -0.18 -4.34 -0.03 0.00 0.00 0.00 0.00 36.38 31.83 3g61 s VAL 1241CO -0.08 -0.70 -0.03 -0.51 0.00 0.00 0.00 175.10 173.78 3g61 s ILE 1242N 3.43 4.00 -0.61 2.22 2.07 0.37 -1.31 121.20 131.37 3g61 s ILE 1242Ca 0.33 -0.36 -0.08 0.00 -1.41 0.00 0.00 60.65 59.13 3g61 s ILE 1242Cb -0.12 -2.68 0.16 0.00 0.13 0.00 0.00 42.46 39.95 3g61 s ILE 1242CO 0.23 0.58 0.48 -1.58 -1.91 0.00 0.00 174.94 172.73 3g61 s GLN 1243N -0.55 2.77 0.00 3.50 2.00 0.25 -4.09 119.66 123.54 3g61 s GLN 1243Ca 0.09 -2.20 0.00 0.00 -2.00 0.00 0.00 55.36 51.25 3g61 s GLN 1243Cb -0.12 -3.98 0.00 0.00 0.80 0.00 0.00 33.01 29.72 3g61 s GLN 1243CO 0.02 -1.21 0.00 0.09 -0.50 0.00 0.00 175.29 173.69 3g61 n ASN 1244N 4.19 0.00 0.00 6.67 3.02 -1.26 -1.58 115.26 126.29 3g61 n ASN 1244Ca 0.03 0.00 0.00 0.00 -0.03 0.00 0.00 54.58 54.58 3g61 n ASN 1244Cb 0.41 0.00 0.00 0.00 -0.61 0.00 0.00 39.78 39.58 3g61 n ASN 1244CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 3g61 n GLY 1245N 0.26 2.90 3.42 7.41 0.00 -1.08 -4.87 105.19 113.23 3g61 n GLY 1245Ca 0.00 -0.75 -0.24 0.00 0.00 0.00 0.00 46.02 45.03 3g61 n GLY 1245CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 3g61 s LYS 1246N 0.00 1.52 0.09 1.61 0.00 -0.62 -1.28 119.74 121.07 3g61 s LYS 1246Ca 0.00 -1.60 -0.17 0.00 0.00 0.00 0.00 55.97 54.20 3g61 s LYS 1246Cb 0.00 -1.67 -0.07 0.00 0.00 0.00 0.00 37.83 36.09 3g61 s LYS 1246CO 0.00 0.33 0.55 0.54 0.00 0.00 0.00 175.35 176.77 3g61 s VAL 1247N -2.15 4.81 -0.09 1.79 0.11 -1.26 0.86 120.40 124.46 3g61 s VAL 1247Ca 0.24 1.04 0.01 0.00 -2.93 0.00 0.00 61.98 60.33 3g61 s VAL 1247Cb -0.06 -3.82 -0.06 0.00 -1.53 0.00 0.00 36.38 30.91 3g61 s VAL 1247CO 0.11 0.44 -0.08 1.17 -3.33 0.00 0.00 175.10 173.41 3g61 n LYS 1248N 1.38 0.22 -4.22 1.54 3.00 -0.43 -4.76 118.16 114.90 3g61 n LYS 1248Ca -0.09 0.05 -0.13 0.00 -0.00 0.00 0.00 58.31 58.15 3g61 n LYS 1248Cb 0.51 -1.17 -0.10 0.00 0.00 0.00 0.00 35.03 34.27 3g61 n LYS 1248CO 0.00 0.00 0.00 -1.21 0.00 0.00 0.00 177.40 176.19 3g61 s GLU 1249N -2.18 1.22 -0.02 1.64 2.02 -0.64 -5.03 118.70 115.71 3g61 s GLU 1249Ca -0.12 -1.64 -0.30 0.00 0.02 0.00 0.00 54.97 52.93 3g61 s GLU 1249Cb 0.03 0.17 0.11 0.00 0.10 0.00 0.00 34.13 34.55 3g61 s GLU 1249CO 0.20 -0.36 1.19 -3.38 0.02 0.00 0.00 175.26 172.93 3g61 s HIS 1250N -4.08 -0.10 0.00 1.61 -3.43 -1.26 -1.61 115.29 106.42 3g61 s HIS 1250Ca 0.38 -0.03 0.00 0.00 -0.80 0.00 0.00 55.06 54.60 3g61 s HIS 1250Cb 0.07 0.56 0.00 0.00 -1.43 0.00 0.00 32.58 31.78 3g61 s HIS 1250CO 0.12 -0.38 0.00 0.41 -2.00 0.00 0.00 174.74 172.89 3g61 n GLY 1251N -0.39 0.28 3.81 -1.38 0.00 -0.70 -4.72 105.19 102.09 3g61 n GLY 1251Ca -0.06 -2.27 -0.34 0.00 0.00 0.00 0.00 46.02 43.34 3g61 n GLY 1251CO 0.00 0.00 0.00 -1.08 0.00 0.00 0.00 173.32 172.24 3g61 s THR 1252N 0.00 4.16 0.00 2.61 -1.32 -1.26 -1.64 115.64 118.19 3g61 s THR 1252Ca 0.00 1.44 0.00 0.00 -1.21 0.00 0.00 61.69 61.92 3g61 s THR 1252Cb 0.00 -3.64 0.00 0.00 -1.51 0.00 0.00 72.50 67.35 3g61 s THR 1252CO 0.00 -0.20 0.93 1.57 -2.21 0.00 0.00 174.62 174.71 3g61 n HIS 1253N -0.47 0.00 0.24 9.09 -0.00 -1.26 -1.17 115.22 121.64 3g61 n HIS 1253Ca 0.07 0.00 0.09 0.00 0.46 0.00 0.00 57.72 58.34 3g61 n HIS 1253Cb 0.53 -0.43 0.49 0.00 -0.12 0.00 0.00 29.99 30.46 3g61 n HIS 1253CO 0.00 0.00 0.00 -0.56 0.46 0.00 0.00 176.34 176.24 3g61 h GLN 1254N 0.00 0.00 0.03 1.57 -0.00 -1.96 0.39 115.11 115.14 3g61 h GLN 1254Ca 0.00 0.00 -0.11 0.00 -0.00 0.00 0.00 58.65 58.54 3g61 h GLN 1254Cb 0.00 0.00 -0.01 0.00 -0.00 0.00 0.00 27.48 27.47 3g61 h GLN 1254CO 0.00 0.00 -0.54 0.37 -0.00 0.00 0.00 178.83 178.66 3g61 h GLN 1255N 0.00 0.06 -0.17 0.06 4.15 -1.69 -1.53 115.11 115.98 3g61 h GLN 1255Ca 0.00 -0.10 0.03 0.00 0.77 0.00 0.00 58.65 59.35 3g61 h GLN 1255Cb 0.73 0.04 -0.01 0.00 0.21 0.00 0.00 27.48 28.45 3g61 h GLN 1255CO 0.00 1.05 0.12 -0.07 -1.93 0.00 0.00 178.83 178.00 3g61 h LEU 1256N -0.86 0.10 -0.42 -2.39 3.38 0.12 0.49 115.31 115.73 3g61 h LEU 1256Ca -0.13 -0.00 -0.18 0.00 0.09 0.00 0.00 57.88 57.66 3g61 h LEU 1256Cb 1.23 -0.02 -0.01 0.00 0.09 0.00 0.00 40.66 41.95 3g61 h LEU 1256CO -0.03 0.07 -0.76 0.25 0.09 0.00 0.00 178.44 178.06 3g61 h LEU 1257N 0.11 0.35 -2.03 1.67 5.85 -0.94 -2.79 115.31 117.52 3g61 h LEU 1257Ca 0.08 -0.24 -0.02 0.00 0.84 0.00 0.00 57.88 58.54 3g61 h LEU 1257Cb 0.16 -0.10 -0.00 0.00 0.37 0.00 0.00 40.66 41.09 3g61 h LEU 1257CO -0.01 0.98 -0.08 0.00 -0.34 0.00 0.00 178.44 178.99 3g61 h ALA 1258N 1.01 1.21 -2.79 1.25 0.00 0.10 -3.24 119.26 116.81 3g61 h ALA 1258Ca -0.03 -0.07 -0.78 0.00 0.00 0.00 0.00 54.91 54.02 3g61 h ALA 1258Cb 1.33 -0.01 -0.28 0.00 0.00 0.00 0.00 17.79 18.83 3g61 h ALA 1258CO 0.12 0.10 0.15 -0.65 0.00 0.00 0.00 179.25 178.97 3g61 s GLN 1259N -4.13 3.68 0.31 0.00 1.11 -0.40 -5.04 119.66 115.19 3g61 s GLN 1259Ca -0.03 -2.70 -0.29 0.00 0.01 0.00 0.00 55.36 52.35 3g61 s GLN 1259Cb 0.13 -4.39 -0.10 0.00 -1.01 0.00 0.00 33.01 27.63 3g61 s GLN 1259CO 0.55 -1.27 1.34 0.15 0.01 0.00 0.00 175.29 176.08 3g61 s LYS 1260N -0.29 4.33 0.00 2.91 3.01 -1.22 -4.43 119.74 124.05 3g61 s LYS 1260Ca 0.22 2.25 0.00 0.00 -1.01 0.00 0.00 55.97 57.42 3g61 s LYS 1260Cb -0.11 -3.08 0.00 0.00 -1.01 0.00 0.00 37.83 33.64 3g61 s LYS 1260CO -0.08 -0.25 0.00 0.41 0.51 0.00 0.00 175.35 175.93 3g61 n GLY 1261N 1.09 0.96 0.00 -3.33 0.00 -1.26 -4.93 105.19 97.71 3g61 n GLY 1261Ca 0.01 -0.30 0.00 0.00 0.00 0.00 0.00 46.02 45.73 3g61 n GLY 1261CO 0.00 0.00 0.00 1.39 0.00 0.00 0.00 173.32 174.71 3g61 n ILE 1262N 0.00 0.00 -0.21 -0.61 5.41 -1.26 0.57 119.36 123.25 3g61 n ILE 1262Ca 0.00 0.59 0.22 0.00 1.00 0.00 0.00 62.75 64.56 3g61 n ILE 1262Cb 0.00 -1.47 0.58 0.00 -0.71 0.00 0.00 39.64 38.04 3g61 n ILE 1262CO 0.00 0.00 0.00 0.22 0.00 0.00 0.00 176.55 176.77 3g61 h TYR 1263N 0.00 0.35 0.46 1.39 3.20 -1.84 -1.24 116.97 119.30 3g61 h TYR 1263Ca 0.00 0.01 -0.02 0.00 3.14 0.00 0.00 58.73 61.86 3g61 h TYR 1263Cb 0.00 -0.11 0.00 0.00 1.54 0.00 0.00 36.73 38.17 3g61 h TYR 1263CO 0.00 0.09 -0.22 0.35 -1.64 0.00 0.00 178.16 176.74 3g61 h PHE 1264N 0.26 -0.58 0.00 -3.82 3.04 -1.75 -1.74 116.94 112.35 3g61 h PHE 1264Ca 0.45 -0.01 0.00 0.00 3.98 0.00 0.00 57.97 62.38 3g61 h PHE 1264Cb 1.33 0.19 0.00 0.00 2.56 0.00 0.00 35.95 40.03 3g61 h PHE 1264CO -0.00 -0.36 0.45 1.03 -2.02 0.00 0.00 178.31 177.40 3g61 h SER 1265N -0.63 0.00 0.05 0.41 0.87 0.13 0.15 113.55 114.54 3g61 h SER 1265Ca -0.06 0.00 -0.10 0.00 -1.23 0.00 0.00 61.79 60.40 3g61 h SER 1265Cb 0.48 0.00 0.00 0.00 -0.44 0.00 0.00 62.40 62.44 3g61 h SER 1265CO 0.10 0.00 -0.46 0.24 -0.53 0.00 0.00 176.83 176.19 3g61 h MET 1266N 0.00 0.11 -0.04 2.24 2.86 -0.66 -1.84 114.93 117.59 3g61 h MET 1266Ca 0.00 -0.19 -0.04 0.00 -2.06 0.00 0.00 59.70 57.40 3g61 h MET 1266Cb 0.89 0.07 -0.01 0.00 0.06 0.00 0.00 31.60 32.62 3g61 h MET 1266CO 0.00 1.09 -0.17 0.28 1.06 0.00 0.00 176.91 179.17 3g61 h VAL 1267N -0.75 1.15 -0.03 -2.22 2.07 0.04 -2.03 116.25 114.48 3g61 h VAL 1267Ca -0.09 -0.69 -0.12 0.00 0.82 0.00 0.00 66.70 66.62 3g61 h VAL 1267Cb 1.28 1.31 0.01 0.00 -1.52 0.00 0.00 31.29 32.37 3g61 h VAL 1267CO 0.04 0.20 -0.44 0.77 0.02 0.00 0.00 177.57 178.15 3g61 h SER 1268N 0.06 0.44 0.60 0.57 4.64 -1.37 -2.57 113.55 115.93 3g61 h SER 1268Ca 0.01 -0.73 -0.05 0.00 -0.47 0.00 0.00 61.79 60.56 3g61 h SER 1268Cb 0.35 -0.13 -0.01 0.00 -0.31 0.00 0.00 62.40 62.30 3g61 h SER 1268CO 0.02 1.10 -0.22 1.62 -0.87 0.00 0.00 176.83 178.49 3g61 h VAL 1269N -0.19 0.68 0.11 0.95 3.04 -1.29 -2.92 116.25 116.63 3g61 h VAL 1269Ca -0.05 -0.93 -0.01 0.00 -1.01 0.00 0.00 66.70 64.70 3g61 h VAL 1269Cb 1.14 1.59 0.00 0.00 -2.01 0.00 0.00 31.29 32.02 3g61 h VAL 1269CO 0.09 0.21 -0.05 -0.61 -1.01 0.00 0.00 177.57 176.20 3g61 h GLN 1270N 0.00 -0.14 0.00 4.17 4.15 -1.29 -3.51 115.11 118.48 3g61 h GLN 1270Ca -0.00 0.01 0.00 0.00 0.77 0.00 0.00 58.65 59.43 3g61 h GLN 1270Cb 0.58 0.03 0.00 0.00 0.21 0.00 0.00 27.48 28.30 3g61 h GLN 1270CO 0.03 -0.03 0.00 0.00 -1.93 0.00 0.00 178.83 176.90