#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2gsm n THR 18 N 0.00 0.00 1.92 1.97 -2.24 -1.26 -4.37 114.28 110.30 2gsm n THR 18 Ca 0.00 -0.41 0.00 0.00 -2.27 0.00 0.00 64.05 61.37 2gsm n THR 18 Cb 0.00 0.98 0.00 0.00 -2.10 0.00 0.00 70.33 69.21 2gsm n THR 18 CO 0.00 0.00 0.00 0.54 -0.57 0.00 0.00 175.07 175.04 2gsm n ARG 19 N -1.10 1.02 0.30 -0.78 1.74 -1.26 -3.46 116.66 113.13 2gsm n ARG 19 Ca 0.01 -0.03 0.19 0.00 -0.77 0.00 0.00 57.85 57.25 2gsm n ARG 19 Cb 0.05 -1.03 0.91 0.00 -1.02 0.00 0.00 32.46 31.36 2gsm n ARG 19 CO 0.00 0.00 0.00 -1.49 -1.52 0.00 0.00 177.63 174.62 2gsm h TRP 20 N 0.04 0.00 0.00 -1.55 4.06 -2.00 -3.10 115.95 113.40 2gsm h TRP 20 Ca 0.00 0.00 0.00 0.00 2.06 0.00 0.00 58.89 60.95 2gsm h TRP 20 Cb 0.04 0.00 0.00 0.00 -1.00 0.00 0.00 29.16 28.20 2gsm h TRP 20 CO 0.01 0.02 -1.69 1.19 -3.56 0.00 0.00 178.44 174.40 2gsm n PHE 21 N -3.15 0.00 0.35 0.49 3.72 -1.22 -4.06 117.46 113.59 2gsm n PHE 21 Ca -0.01 0.00 0.11 0.00 -0.05 0.00 0.00 57.45 57.50 2gsm n PHE 21 Cb 0.20 -0.35 0.26 0.00 -0.94 0.00 0.00 39.48 38.65 2gsm n PHE 21 CO 0.00 0.00 0.00 -1.33 -0.05 0.00 0.00 176.76 175.38 2gsm n MET 22 N -2.03 2.40 -2.52 -1.08 2.81 -1.18 -4.98 117.12 110.55 2gsm n MET 22 Ca -0.03 -2.13 -0.36 0.00 -1.81 0.00 0.00 57.70 53.38 2gsm n MET 22 Cb 0.42 -1.50 -0.04 0.00 -0.71 0.00 0.00 33.22 31.40 2gsm n MET 22 CO 0.00 0.00 0.00 0.45 1.51 0.00 0.00 175.97 177.93 2gsm s SER 23 N -1.38 6.56 0.00 7.83 0.15 -1.18 -4.96 113.70 120.72 2gsm s SER 23 Ca 0.39 2.03 0.08 0.00 0.70 0.00 0.00 55.95 59.14 2gsm s SER 23 Cb 0.22 -2.58 0.03 0.00 -1.71 0.00 0.00 66.02 61.98 2gsm s SER 23 CO 0.30 -0.63 0.64 0.35 1.20 0.00 0.00 173.24 175.11 2gsm n THR 24 N -0.41 0.00 -2.34 6.45 -2.24 -1.26 -4.67 114.28 109.81 2gsm n THR 24 Ca 0.07 -0.46 -0.42 0.00 -2.27 0.00 0.00 64.05 60.97 2gsm n THR 24 Cb 0.50 1.13 -0.03 0.00 -2.10 0.00 0.00 70.33 69.83 2gsm n THR 24 CO 0.00 0.00 0.00 0.21 -0.57 0.00 0.00 175.07 174.71 2gsm s ASN 25 N -0.89 7.02 0.53 3.42 3.84 -1.26 -4.70 114.94 122.91 2gsm s ASN 25 Ca 0.08 2.18 0.25 0.00 0.21 0.00 0.00 52.86 55.58 2gsm s ASN 25 Cb 0.06 -2.59 1.39 0.00 -0.55 0.00 0.00 41.25 39.56 2gsm s ASN 25 CO 0.14 -0.47 1.99 1.12 -2.79 0.00 0.00 177.10 177.09 2gsm h HIS 26 N 6.10 0.01 -0.11 0.43 2.07 -1.91 -1.41 115.15 120.33 2gsm h HIS 26 Ca -0.43 0.00 -0.15 0.00 -2.85 0.00 0.00 60.37 56.94 2gsm h HIS 26 Cb 1.21 -0.00 0.01 0.00 2.57 0.00 0.00 27.41 31.20 2gsm h HIS 26 CO 0.65 0.01 -0.52 0.87 -3.07 0.00 0.00 177.93 175.87 2gsm h LYS 27 N 0.01 0.55 -0.60 5.12 1.57 -1.86 -1.58 116.57 119.78 2gsm h LYS 27 Ca 0.26 -0.44 -0.10 0.00 -1.87 0.00 0.00 60.65 58.51 2gsm h LYS 27 Cb 1.03 0.09 -0.02 0.00 0.08 0.00 0.00 32.23 33.41 2gsm h LYS 27 CO -0.01 1.07 -0.00 -0.44 -0.57 0.00 0.00 179.45 179.50 2gsm h ASP 28 N 0.16 1.04 -0.29 0.86 3.32 -1.69 -1.85 116.42 117.97 2gsm h ASP 28 Ca -0.03 -0.31 -0.01 0.00 0.02 0.00 0.00 57.03 56.70 2gsm h ASP 28 Cb 1.16 -0.28 -0.01 0.00 0.22 0.00 0.00 39.33 40.41 2gsm h ASP 28 CO 0.11 1.09 0.15 0.40 -1.72 0.00 0.00 179.24 179.27 2gsm h ILE 29 N 0.96 1.13 -0.61 0.35 1.08 -1.35 -1.69 117.51 117.39 2gsm h ILE 29 Ca 0.17 -0.36 0.06 0.00 -0.39 0.00 0.00 64.86 64.34 2gsm h ILE 29 Cb 0.56 0.85 -0.05 0.00 -3.07 0.00 0.00 36.82 35.11 2gsm h ILE 29 CO 0.03 0.13 0.31 1.23 -0.69 0.00 0.00 178.15 179.17 2gsm h GLY 30 N 0.34 0.87 0.96 5.37 0.00 -1.19 -0.55 103.07 108.87 2gsm h GLY 30 Ca 0.10 -0.21 -0.04 0.00 0.00 0.00 0.00 47.33 47.18 2gsm h GLY 30 CO -0.02 0.11 0.15 -2.08 0.00 0.00 0.00 176.54 174.71 2gsm h VAL 31 N 0.58 1.22 -0.63 4.60 2.07 -1.20 -1.59 116.25 121.31 2gsm h VAL 31 Ca 0.28 -0.73 0.01 0.00 0.82 0.00 0.00 66.70 67.08 2gsm h VAL 31 Cb 0.20 0.83 -0.03 0.00 -1.52 0.00 0.00 31.29 30.76 2gsm h VAL 31 CO -0.19 0.27 0.40 -0.07 0.02 0.00 0.00 177.57 178.00 2gsm h LEU 32 N 0.61 0.69 -0.64 2.57 3.38 -0.88 -0.85 115.31 120.18 2gsm h LEU 32 Ca 0.15 -0.01 -0.02 0.00 0.09 0.00 0.00 57.88 58.09 2gsm h LEU 32 Cb 0.26 -0.16 -0.03 0.00 0.09 0.00 0.00 40.66 40.82 2gsm h LEU 32 CO -0.01 0.49 0.34 1.88 0.09 0.00 0.00 178.44 181.23 2gsm h TYR 33 N 0.81 0.90 -0.06 1.13 -1.99 -0.98 -1.29 116.97 115.50 2gsm h TYR 33 Ca 0.24 -0.03 -0.00 0.00 2.00 0.00 0.00 58.73 60.93 2gsm h TYR 33 Cb -0.05 -0.28 -0.00 0.00 2.00 0.00 0.00 36.73 38.39 2gsm h TYR 33 CO -0.04 0.66 0.02 -0.07 -0.00 0.00 0.00 178.16 178.73 2gsm h LEU 34 N 0.88 0.08 -0.45 3.88 3.38 -0.90 0.06 115.31 122.25 2gsm h LEU 34 Ca 0.22 -0.17 -0.01 0.00 0.09 0.00 0.00 57.88 58.01 2gsm h LEU 34 Cb 0.07 -0.02 -0.02 0.00 0.09 0.00 0.00 40.66 40.78 2gsm h LEU 34 CO -0.03 0.24 0.24 -0.26 0.09 0.00 0.00 178.44 178.71 2gsm h PHE 35 N -0.07 0.63 -0.42 1.13 0.04 -1.15 -0.95 116.94 116.15 2gsm h PHE 35 Ca 0.02 -0.02 -0.07 0.00 2.80 0.00 0.00 57.97 60.70 2gsm h PHE 35 Cb 0.18 -0.20 -0.01 0.00 2.20 0.00 0.00 35.95 38.11 2gsm h PHE 35 CO -0.01 0.48 -0.01 1.15 -0.60 0.00 0.00 178.31 179.31 2gsm h THR 36 N 0.59 1.26 -0.69 -1.55 2.02 -1.17 -1.14 112.91 112.22 2gsm h THR 36 Ca 0.16 -1.05 -0.02 0.00 0.77 0.00 0.00 66.41 66.26 2gsm h THR 36 Cb 0.07 1.10 -0.03 0.00 -1.74 0.00 0.00 68.15 67.54 2gsm h THR 36 CO -0.02 0.36 0.35 1.23 0.37 0.00 0.00 175.52 177.80 2gsm h GLY 37 N 0.59 1.05 1.02 2.16 0.00 -0.89 -0.17 103.07 106.84 2gsm h GLY 37 Ca 0.12 -0.49 -0.05 0.00 0.00 0.00 0.00 47.33 46.91 2gsm h GLY 37 CO 0.02 0.47 0.20 -1.33 0.00 0.00 0.00 176.54 175.90 2gsm h GLY 38 N 1.04 1.06 0.73 4.60 0.00 -0.83 0.39 103.07 110.06 2gsm h GLY 38 Ca 0.24 -0.63 -0.09 0.00 0.00 0.00 0.00 47.33 46.85 2gsm h GLY 38 CO -0.03 0.58 -0.31 -2.00 0.00 0.00 0.00 176.54 174.78 2gsm h LEU 39 N 0.91 0.44 -1.05 3.11 5.85 -0.51 -1.18 115.31 122.88 2gsm h LEU 39 Ca 0.21 -0.61 0.01 0.00 0.84 0.00 0.00 57.88 58.33 2gsm h LEU 39 Cb 0.29 -0.13 -0.05 0.00 0.37 0.00 0.00 40.66 41.14 2gsm h LEU 39 CO -0.01 0.97 0.64 0.58 -0.34 0.00 0.00 178.44 180.28 2gsm h VAL 40 N -0.07 1.25 -0.67 1.05 2.07 -1.08 -2.09 116.25 116.72 2gsm h VAL 40 Ca -0.01 -0.45 0.06 0.00 0.82 0.00 0.00 66.70 67.12 2gsm h VAL 40 Cb 0.93 -0.18 -0.06 0.00 -1.52 0.00 0.00 31.29 30.47 2gsm h VAL 40 CO 0.07 0.24 0.36 1.23 0.02 0.00 0.00 177.57 179.49 2gsm h GLY 41 N 1.31 0.98 0.72 2.17 0.00 -0.73 0.64 103.07 108.17 2gsm h GLY 41 Ca 0.35 -0.25 0.04 0.00 0.00 0.00 0.00 47.33 47.48 2gsm h GLY 41 CO -0.08 0.14 0.20 -2.00 0.00 0.00 0.00 176.54 174.80 2gsm h LEU 42 N 0.66 0.27 -0.18 3.11 5.85 -0.69 0.17 115.31 124.50 2gsm h LEU 42 Ca 0.30 0.03 0.00 0.00 0.84 0.00 0.00 57.88 59.06 2gsm h LEU 42 Cb 0.22 -0.01 -0.01 0.00 0.37 0.00 0.00 40.66 41.22 2gsm h LEU 42 CO -0.20 0.19 0.11 0.40 -0.34 0.00 0.00 178.44 178.61 2gsm h ILE 43 N 0.40 1.04 -0.48 4.05 2.04 -0.72 0.49 117.51 124.32 2gsm h ILE 43 Ca 0.19 -0.08 -0.10 0.00 1.00 0.00 0.00 64.86 65.87 2gsm h ILE 43 Cb 0.13 0.79 -0.02 0.00 -0.74 0.00 0.00 36.82 36.98 2gsm h ILE 43 CO -0.15 0.04 -0.08 -1.28 0.00 0.00 0.00 178.15 176.67 2gsm h SER 44 N 0.23 0.91 -0.74 1.72 0.87 -0.54 -2.06 113.55 113.94 2gsm h SER 44 Ca 0.07 -0.35 0.03 0.00 -1.23 0.00 0.00 61.79 60.31 2gsm h SER 44 Cb -0.02 -0.25 -0.04 0.00 -0.44 0.00 0.00 62.40 61.65 2gsm h SER 44 CO -0.02 1.05 0.47 0.58 -0.53 0.00 0.00 176.83 178.38 2gsm h VAL 45 N 0.76 1.12 -0.92 2.23 2.07 -0.59 -2.60 116.25 118.34 2gsm h VAL 45 Ca 0.13 -0.32 0.06 0.00 0.82 0.00 0.00 66.70 67.39 2gsm h VAL 45 Cb 0.63 0.11 -0.06 0.00 -1.52 0.00 0.00 31.29 30.45 2gsm h VAL 45 CO 0.04 0.17 0.58 0.00 0.02 0.00 0.00 177.57 178.38 2gsm h ALA 46 N 1.31 1.26 -0.67 1.67 0.00 -0.41 -1.29 119.26 121.12 2gsm h ALA 46 Ca 0.29 -0.02 0.09 0.00 0.00 0.00 0.00 54.91 55.27 2gsm h ALA 46 Cb -0.01 -0.27 -0.07 0.00 0.00 0.00 0.00 17.79 17.44 2gsm h ALA 46 CO -0.10 0.37 0.32 0.74 0.00 0.00 0.00 179.25 180.57 2gsm h PHE 47 N 1.07 0.56 0.00 0.00 -1.00 -1.12 -2.36 116.94 114.10 2gsm h PHE 47 Ca 0.39 0.03 -0.08 0.00 2.81 0.00 0.00 57.97 61.12 2gsm h PHE 47 Cb 0.14 -0.15 -0.01 0.00 3.61 0.00 0.00 35.95 39.54 2gsm h PHE 47 CO -0.02 0.20 -0.37 1.79 -1.61 0.00 0.00 178.31 178.30 2gsm h THR 48 N 0.55 1.20 -0.28 -1.55 1.35 -0.89 -0.24 112.91 113.04 2gsm h THR 48 Ca 0.33 -1.31 -0.01 0.00 -0.55 0.00 0.00 66.41 64.87 2gsm h THR 48 Cb 0.35 1.72 -0.01 0.00 -1.73 0.00 0.00 68.15 68.48 2gsm h THR 48 CO -0.27 0.37 0.13 0.58 -0.25 0.00 0.00 175.52 176.08 2gsm h VAL 49 N 0.00 1.15 -0.35 6.82 2.07 -0.83 0.60 116.25 125.71 2gsm h VAL 49 Ca -0.00 -0.44 -0.04 0.00 0.82 0.00 0.00 66.70 67.04 2gsm h VAL 49 Cb 0.69 0.92 -0.01 0.00 -1.52 0.00 0.00 31.29 31.37 2gsm h VAL 49 CO 0.05 0.16 0.06 0.22 0.02 0.00 0.00 177.57 178.07 2gsm h TYR 50 N 0.32 0.61 -0.55 1.57 3.20 -1.24 0.12 116.97 121.01 2gsm h TYR 50 Ca 0.10 -0.08 0.11 0.00 3.14 0.00 0.00 58.73 61.99 2gsm h TYR 50 Cb 0.12 -0.17 -0.11 0.00 1.54 0.00 0.00 36.73 38.12 2gsm h TYR 50 CO -0.02 0.64 -0.15 0.52 -1.64 0.00 0.00 178.16 177.51 2gsm h MET 51 N 0.41 -0.02 0.00 1.82 2.86 -0.94 -1.95 114.93 117.11 2gsm h MET 51 Ca 0.11 0.00 -0.02 0.00 -2.06 0.00 0.00 59.70 57.73 2gsm h MET 51 Cb 0.35 0.00 -0.00 0.00 0.06 0.00 0.00 31.60 32.01 2gsm h MET 51 CO 0.01 -0.01 -0.10 0.00 1.06 0.00 0.00 176.91 177.86 2gsm h ARG 52 N -0.02 0.00 0.02 1.72 2.47 -0.57 -0.38 114.38 117.63 2gsm h ARG 52 Ca 0.26 0.00 -0.00 0.00 -1.26 0.00 0.00 59.98 58.98 2gsm h ARG 52 Cb 0.42 0.00 0.00 0.00 -1.65 0.00 0.00 29.97 28.74 2gsm h ARG 52 CO -0.57 0.10 -0.01 0.52 0.56 0.00 0.00 179.97 180.57 2gsm h MET 53 N 0.00 -0.03 -0.37 0.04 2.86 -0.11 -1.13 114.93 116.19 2gsm h MET 53 Ca -0.00 0.00 -0.07 0.00 -2.06 0.00 0.00 59.70 57.57 2gsm h MET 53 Cb 0.87 0.01 -0.02 0.00 0.06 0.00 0.00 31.60 32.52 2gsm h MET 53 CO 0.01 0.02 -0.07 1.49 1.06 0.00 0.00 176.91 179.43 2gsm h GLU 54 N -0.07 0.62 -0.00 1.72 4.57 -1.01 -2.88 114.58 117.52 2gsm h GLU 54 Ca -0.00 -0.17 0.00 0.00 -1.18 0.00 0.00 59.36 58.01 2gsm h GLU 54 Cb 0.07 -0.07 0.00 0.00 -0.16 0.00 0.00 28.75 28.59 2gsm h GLU 54 CO 0.01 0.69 -0.07 1.28 -1.18 0.00 0.00 179.01 179.73 2gsm n LEU 55 N -4.21 0.08 0.07 1.64 4.77 -0.18 -3.98 117.00 115.18 2gsm n LEU 55 Ca 0.01 0.42 0.10 0.00 -0.03 0.00 0.00 56.01 56.51 2gsm n LEU 55 Cb 0.31 -0.45 0.56 0.00 -2.33 0.00 0.00 43.42 41.51 2gsm n LEU 55 CO 0.41 0.02 1.14 -0.03 -1.33 0.00 0.00 177.39 177.60 2gsm h MET 56 N 0.01 0.23 -3.56 3.23 4.05 -0.97 -3.41 114.93 114.51 2gsm h MET 56 Ca 0.00 -0.01 -0.17 0.00 -0.28 0.00 0.00 59.70 59.24 2gsm h MET 56 Cb 0.49 -0.05 -0.23 0.00 -0.80 0.00 0.00 31.60 31.01 2gsm h MET 56 CO 0.00 0.15 -0.55 0.00 0.23 0.00 0.00 176.91 176.74 2gsm s ALA 57 N -5.25 -0.25 0.74 0.39 0.00 -1.26 -3.70 121.76 112.43 2gsm s ALA 57 Ca -0.06 -0.03 -0.14 0.00 0.00 0.00 0.00 51.96 51.72 2gsm s ALA 57 Cb 0.18 0.00 0.04 0.00 0.00 0.00 0.00 23.12 23.35 2gsm s ALA 57 CO 0.71 -0.15 1.17 -1.25 0.00 0.00 0.00 175.76 176.25 2gsm s PRO 58 N -0.87 2.17 0.00 0.00 0.04 -1.26 -4.76 135.00 130.32 2gsm s PRO 58 Ca -0.10 1.61 0.00 0.00 0.04 0.00 0.00 61.00 62.55 2gsm s PRO 58 Cb -0.06 -1.85 0.00 0.00 0.04 0.00 0.00 34.50 32.63 2gsm s PRO 58 CO 0.01 -1.78 0.00 0.41 0.04 0.00 0.00 177.00 175.68 2gsm n GLY 59 N 0.05 -1.65 3.68 0.56 0.00 -1.26 -4.96 105.19 101.61 2gsm n GLY 59 Ca 0.12 -1.36 -0.38 0.00 0.00 0.00 0.00 46.02 44.40 2gsm n GLY 59 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 2gsm s VAL 60 N -2.88 5.18 0.00 1.61 1.01 -1.26 -4.94 120.40 119.11 2gsm s VAL 60 Ca 0.00 0.80 0.00 0.00 0.00 0.00 0.00 61.98 62.78 2gsm s VAL 60 Cb 0.00 -3.77 0.00 0.00 0.00 0.00 0.00 36.38 32.61 2gsm s VAL 60 CO 0.00 0.25 0.00 0.00 0.00 0.00 0.00 175.10 175.35 2gsm n GLN 61 N 4.41 1.41 -0.05 2.72 3.00 -1.26 -4.52 117.38 123.08 2gsm n GLN 61 Ca -0.07 0.00 -0.10 0.00 -0.01 0.00 0.00 57.00 56.81 2gsm n GLN 61 Cb 0.51 -0.88 -0.04 0.00 0.00 0.00 0.00 30.24 29.83 2gsm n GLN 61 CO 0.00 0.00 0.00 1.19 0.00 0.00 0.00 177.06 178.25 2gsm n PHE 62 N -1.17 0.00 -2.44 1.08 3.01 -1.26 0.03 117.46 116.70 2gsm n PHE 62 Ca 0.00 0.00 -0.43 0.00 1.01 0.00 0.00 57.45 58.03 2gsm n PHE 62 Cb 0.00 -0.38 0.00 0.00 -0.01 0.00 0.00 39.48 39.09 2gsm n PHE 62 CO 0.00 0.00 0.00 -1.33 1.01 0.00 0.00 176.76 176.44 2gsm n MET 63 N -3.31 3.54 -3.67 -1.08 2.81 -1.26 -4.65 117.12 109.50 2gsm n MET 63 Ca -0.20 -3.56 -0.36 0.00 -1.81 0.00 0.00 57.70 51.77 2gsm n MET 63 Cb 0.66 -2.97 -0.07 0.00 -0.71 0.00 0.00 33.22 30.13 2gsm n MET 63 CO 0.00 0.00 0.00 0.00 1.51 0.00 0.00 175.97 177.48 2gsm h ALA 65 N 6.23 2.44 -0.44 0.00 0.00 -0.20 -2.03 119.26 125.26 2gsm h ALA 65 Ca -0.44 -0.02 0.09 0.00 0.00 0.00 0.00 54.91 54.54 2gsm h ALA 65 Cb 1.17 0.03 -0.02 0.00 0.00 0.00 0.00 17.79 18.98 2gsm h ALA 65 CO 0.72 -0.57 0.30 0.93 0.00 0.00 0.00 179.25 180.62 2gsm h GLU 66 N 0.00 0.17 0.00 0.00 3.07 -1.90 -0.73 114.58 115.19 2gsm h GLU 66 Ca 0.22 -0.01 0.00 0.00 -0.50 0.00 0.00 59.36 59.07 2gsm h GLU 66 Cb 0.89 -0.04 0.00 0.00 -0.84 0.00 0.00 28.75 28.76 2gsm h GLU 66 CO -0.00 0.11 0.00 0.72 -1.40 0.00 0.00 179.01 178.44 2gsm n HIS 67 N -4.45 0.72 0.23 4.33 8.25 -0.76 -3.18 115.22 120.36 2gsm n HIS 67 Ca 0.07 0.29 0.11 0.00 -0.26 0.00 0.00 57.72 57.93 2gsm n HIS 67 Cb 0.39 -0.97 0.49 0.00 1.12 0.00 0.00 29.99 31.02 2gsm n HIS 67 CO 0.00 0.00 0.00 -0.07 0.64 0.00 0.00 176.34 176.91 2gsm h LEU 68 N 0.00 0.00 -1.12 2.41 3.38 -1.29 -3.18 115.31 115.51 2gsm h LEU 68 Ca 0.00 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.97 2gsm h LEU 68 Cb 0.33 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.08 2gsm h LEU 68 CO 0.00 0.19 0.00 -0.62 0.09 0.00 0.00 178.44 178.10 2gsm n GLU 69 N -3.36 1.72 -1.55 1.13 -0.58 -1.19 -4.86 120.64 111.95 2gsm n GLU 69 Ca 0.00 -1.10 -0.06 0.00 -0.42 0.00 0.00 57.16 55.58 2gsm n GLU 69 Cb 0.41 -1.32 0.02 0.00 -0.57 0.00 0.00 31.44 29.98 2gsm n GLU 69 CO 0.00 0.00 0.00 0.43 -0.48 0.00 0.00 177.13 177.08 2gsm n SER 70 N 0.35 0.61 -4.57 1.62 7.64 -1.20 -5.10 113.62 112.98 2gsm n SER 70 Ca 0.13 -1.45 -0.29 0.00 1.01 0.00 0.00 58.87 58.27 2gsm n SER 70 Cb 0.29 -0.14 0.22 0.00 -1.01 0.00 0.00 64.21 63.57 2gsm n SER 70 CO 0.00 0.00 0.00 -0.83 -3.01 0.00 0.00 175.04 171.20 2gsm s GLY 71 N -2.85 1.56 0.09 0.23 0.00 -1.26 -4.74 107.32 100.34 2gsm s GLY 71 Ca 0.19 -0.17 -0.20 0.00 0.00 0.00 0.00 44.72 44.54 2gsm s GLY 71 CO 0.12 0.49 1.60 -2.00 0.00 0.00 0.00 173.10 173.31 2gsm h LEU 72 N -2.31 0.29 0.14 0.66 5.85 -1.94 -0.52 115.31 117.47 2gsm h LEU 72 Ca -0.58 -0.20 -0.01 0.00 0.84 0.00 0.00 57.88 57.94 2gsm h LEU 72 Cb 1.33 -0.07 0.00 0.00 0.37 0.00 0.00 40.66 42.28 2gsm h LEU 72 CO 0.53 0.41 -0.07 0.58 -0.34 0.00 0.00 178.44 179.55 2gsm h VAL 73 N 0.15 1.01 -0.13 1.05 2.07 -2.00 -2.47 116.25 115.94 2gsm h VAL 73 Ca 0.06 -0.71 -0.00 0.00 0.82 0.00 0.00 66.70 66.87 2gsm h VAL 73 Cb 0.22 1.45 -0.01 0.00 -1.52 0.00 0.00 31.29 31.44 2gsm h VAL 73 CO -0.00 0.17 0.08 0.50 0.02 0.00 0.00 177.57 178.33 2gsm h LYS 74 N -0.53 0.18 -0.75 1.57 3.64 -1.93 -2.48 116.57 116.27 2gsm h LYS 74 Ca -0.02 -0.02 0.12 0.00 -1.27 0.00 0.00 60.65 59.46 2gsm h LYS 74 Cb 0.42 -0.04 -0.08 0.00 -0.41 0.00 0.00 32.23 32.12 2gsm h LYS 74 CO 0.03 0.17 0.36 0.78 -2.27 0.00 0.00 179.45 178.52 2gsm h GLY 75 N 0.14 1.15 0.44 5.01 0.00 -1.18 -0.65 103.07 107.98 2gsm h GLY 75 Ca 0.05 -0.21 0.05 0.00 0.00 0.00 0.00 47.33 47.22 2gsm h GLY 75 CO -0.01 -0.00 -0.08 -2.75 0.00 0.00 0.00 176.54 173.70 2gsm h PHE 76 N 0.57 -0.19 0.00 5.60 3.57 -1.22 -1.60 116.94 123.66 2gsm h PHE 76 Ca 0.39 0.02 -0.10 0.00 3.53 0.00 0.00 57.97 61.81 2gsm h PHE 76 Cb 0.49 0.12 -0.01 0.00 2.79 0.00 0.00 35.95 39.34 2gsm h PHE 76 CO -0.12 -0.14 -0.49 0.74 -2.23 0.00 0.00 178.31 176.08 2gsm h PHE 77 N -0.03 0.00 -0.06 0.41 0.04 -0.88 -2.88 116.94 113.54 2gsm h PHE 77 Ca 0.13 0.00 -0.18 0.00 2.80 0.00 0.00 57.97 60.72 2gsm h PHE 77 Cb 0.22 0.00 -0.01 0.00 2.20 0.00 0.00 35.95 38.37 2gsm h PHE 77 CO -0.27 0.49 -0.73 1.96 -0.60 0.00 0.00 178.31 179.15 2gsm h GLN 78 N 0.00 0.35 0.00 1.51 4.20 -0.97 -3.18 115.11 117.02 2gsm h GLN 78 Ca -0.00 -0.29 0.00 0.00 0.06 0.00 0.00 58.65 58.42 2gsm h GLN 78 Cb 0.94 0.06 0.00 0.00 0.30 0.00 0.00 27.48 28.79 2gsm h GLN 78 CO 0.06 0.93 0.00 -1.13 -0.67 0.00 0.00 178.83 178.03 2gsm n SER 79 N -3.82 0.00 -0.02 1.46 3.41 -0.62 -2.41 113.62 111.62 2gsm n SER 79 Ca -0.04 0.04 0.11 0.00 -0.26 0.00 0.00 58.87 58.73 2gsm n SER 79 Cb 0.71 -0.30 0.10 0.00 -0.26 0.00 0.00 64.21 64.46 2gsm n SER 79 CO 0.00 0.00 0.00 0.18 -0.16 0.00 0.00 175.04 175.06 2gsm n LEU 80 N -1.30 0.76 -4.53 1.04 4.77 -1.20 -4.69 117.00 111.84 2gsm n LEU 80 Ca 0.09 -0.23 -0.34 0.00 -0.03 0.00 0.00 56.01 55.50 2gsm n LEU 80 Cb 0.16 -0.14 -0.12 0.00 -2.33 0.00 0.00 43.42 40.99 2gsm n LEU 80 CO 0.15 0.18 -0.36 0.86 -1.33 0.00 0.00 177.39 176.90 2gsm s TRP 81 N -2.97 3.02 0.38 -1.77 -0.11 -1.01 -5.10 118.94 111.37 2gsm s TRP 81 Ca 0.10 -0.18 -0.26 0.00 1.22 0.00 0.00 56.10 56.98 2gsm s TRP 81 Cb 0.17 -1.88 -0.09 0.00 -1.50 0.00 0.00 33.47 30.17 2gsm s TRP 81 CO 0.76 0.10 1.26 -1.25 -4.62 0.00 0.00 176.95 173.20 2gsm s PRO 82 N -0.04 4.10 0.21 5.86 0.04 -1.26 -4.77 135.00 139.13 2gsm s PRO 82 Ca 0.01 2.07 0.08 0.00 0.04 0.00 0.00 61.00 63.20 2gsm s PRO 82 Cb -0.13 -2.82 -0.04 0.00 0.04 0.00 0.00 34.50 31.55 2gsm s PRO 82 CO 0.03 -0.35 0.04 -1.12 0.04 0.00 0.00 177.00 175.64 2gsm s SER 83 N -0.80 4.90 0.60 6.66 0.01 0.10 -5.01 113.70 120.16 2gsm s SER 83 Ca 0.55 -0.42 -0.19 0.00 1.31 0.00 0.00 55.95 57.19 2gsm s SER 83 Cb -0.36 -1.07 -0.03 0.00 0.21 0.00 0.00 66.02 64.77 2gsm s SER 83 CO 0.47 0.04 1.27 0.00 0.41 0.00 0.00 173.24 175.43 2gsm s ALA 84 N -1.98 2.55 0.23 1.44 0.00 -1.26 -4.60 121.76 118.15 2gsm s ALA 84 Ca 0.30 1.16 -0.06 0.00 0.00 0.00 0.00 51.96 53.36 2gsm s ALA 84 Cb -0.08 -3.52 0.35 0.00 0.00 0.00 0.00 23.12 19.87 2gsm s ALA 84 CO 0.20 -1.37 1.78 0.28 0.00 0.00 0.00 175.76 176.66 2gsm h VAL 85 N 0.91 0.86 0.00 0.00 2.07 -1.90 -1.59 116.25 116.60 2gsm h VAL 85 Ca -0.51 -0.22 0.00 0.00 0.82 0.00 0.00 66.70 66.79 2gsm h VAL 85 Cb 1.31 0.17 0.00 0.00 -1.52 0.00 0.00 31.29 31.25 2gsm h VAL 85 CO 0.55 0.12 0.00 1.05 0.02 0.00 0.00 177.57 179.31 2gsm h GLU 86 N 0.64 0.00 -0.38 1.57 9.09 -1.93 -0.41 114.58 123.17 2gsm h GLU 86 Ca 0.36 0.00 0.00 0.00 0.05 0.00 0.00 59.36 59.77 2gsm h GLU 86 Cb 0.37 0.00 0.00 0.00 -1.65 0.00 0.00 28.75 27.47 2gsm h GLU 86 CO -0.26 0.00 0.00 0.09 0.05 0.00 0.00 179.01 178.89 2gsm n ASN 87 N -2.52 3.00 -3.85 3.06 3.02 -0.62 -4.92 115.26 112.43 2gsm n ASN 87 Ca -0.02 -1.97 -0.30 0.00 -0.03 0.00 0.00 54.58 52.26 2gsm n ASN 87 Cb 0.07 -0.25 -0.15 0.00 -0.61 0.00 0.00 39.78 38.84 2gsm n ASN 87 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 2gsm s THR 89 N 1.39 4.40 0.17 0.00 2.01 -1.26 -4.88 115.64 117.46 2gsm s THR 89 Ca 0.07 1.61 -0.34 0.00 0.31 0.00 0.00 61.69 63.34 2gsm s THR 89 Cb -0.18 -4.33 -0.14 0.00 0.01 0.00 0.00 72.50 67.86 2gsm s THR 89 CO -0.17 -0.47 1.59 -2.65 -0.69 0.00 0.00 174.62 172.23 2gsm n PRO 90 N 6.98 2.21 -3.66 4.92 -0.02 -1.26 0.51 135.00 144.68 2gsm n PRO 90 Ca 0.13 0.80 -0.37 0.00 -2.02 0.00 0.00 63.50 62.04 2gsm n PRO 90 Cb 0.47 -2.57 -0.08 0.00 -0.02 0.00 0.00 33.50 31.30 2gsm n PRO 90 CO 0.00 0.00 0.00 1.21 1.98 0.00 0.00 175.50 178.69 2gsm s ASN 91 N 0.91 5.66 0.51 2.55 2.47 0.28 -4.64 114.94 122.68 2gsm s ASN 91 Ca 0.78 -3.26 0.19 0.00 0.42 0.00 0.00 52.86 50.99 2gsm s ASN 91 Cb -0.66 -1.90 1.26 0.00 -1.45 0.00 0.00 41.25 38.51 2gsm s ASN 91 CO 0.38 -0.29 2.06 1.23 -3.72 0.00 0.00 177.10 176.76 2gsm h GLY 92 N 6.58 0.11 1.01 1.21 0.00 -1.92 -2.56 103.07 107.50 2gsm h GLY 92 Ca 0.07 -0.03 -0.01 0.00 0.00 0.00 0.00 47.33 47.36 2gsm h GLY 92 CO 0.78 0.03 0.43 0.84 0.00 0.00 0.00 176.54 178.62 2gsm h HIS 93 N 0.09 1.00 -0.72 5.60 -0.00 -1.97 -1.71 115.15 117.43 2gsm h HIS 93 Ca 0.14 -0.01 -0.07 0.00 -0.00 0.00 0.00 60.37 60.43 2gsm h HIS 93 Cb 0.46 -0.33 -0.03 0.00 -0.00 0.00 0.00 27.41 27.52 2gsm h HIS 93 CO -0.00 0.69 0.19 1.25 -0.00 0.00 0.00 177.93 180.06 2gsm h LEU 94 N 1.03 1.08 0.04 0.26 5.85 -1.83 -0.12 115.31 121.61 2gsm h LEU 94 Ca 0.27 -0.22 0.03 0.00 0.84 0.00 0.00 57.88 58.79 2gsm h LEU 94 Cb -0.00 -0.28 -0.04 0.00 0.37 0.00 0.00 40.66 40.70 2gsm h LEU 94 CO -0.05 1.02 -0.23 -0.25 -0.34 0.00 0.00 178.44 178.60 2gsm h TRP 95 N 1.09 -0.61 -0.89 1.25 2.91 -1.50 -1.12 115.95 117.08 2gsm h TRP 95 Ca 0.23 0.02 0.01 0.00 1.13 0.00 0.00 58.89 60.28 2gsm h TRP 95 Cb 0.35 0.26 -0.05 0.00 -0.51 0.00 0.00 29.16 29.22 2gsm h TRP 95 CO 0.03 -0.32 0.59 -0.91 -1.03 0.00 0.00 178.44 176.80 2gsm h ASN 96 N -0.38 1.01 -0.27 2.65 2.35 -0.99 -1.32 115.58 118.64 2gsm h ASN 96 Ca 0.05 -0.02 -0.00 0.00 -0.55 0.00 0.00 56.30 55.78 2gsm h ASN 96 Cb 0.44 -0.25 -0.01 0.00 0.05 0.00 0.00 38.32 38.55 2gsm h ASN 96 CO -0.18 0.73 0.16 0.58 -1.65 0.00 0.00 177.43 177.06 2gsm h VAL 97 N 1.19 1.10 -0.47 2.81 2.07 -0.90 -1.97 116.25 120.09 2gsm h VAL 97 Ca 0.33 -0.24 0.01 0.00 0.82 0.00 0.00 66.70 67.62 2gsm h VAL 97 Cb -0.12 0.78 -0.03 0.00 -1.52 0.00 0.00 31.29 30.41 2gsm h VAL 97 CO -0.08 0.10 0.29 0.24 0.02 0.00 0.00 177.57 178.14 2gsm h MET 98 N 0.33 0.57 -0.48 1.57 2.86 -0.58 -0.22 114.93 118.98 2gsm h MET 98 Ca 0.10 -0.03 -0.06 0.00 -2.06 0.00 0.00 59.70 57.64 2gsm h MET 98 Cb 0.02 -0.13 -0.02 0.00 0.06 0.00 0.00 31.60 31.53 2gsm h MET 98 CO -0.02 0.38 0.08 0.82 1.06 0.00 0.00 176.91 179.23 2gsm h ILE 99 N 0.59 1.25 -0.27 -1.22 5.03 -1.25 0.37 117.51 122.01 2gsm h ILE 99 Ca 0.18 -0.91 -0.04 0.00 -0.12 0.00 0.00 64.86 63.97 2gsm h ILE 99 Cb -0.02 0.91 -0.01 0.00 -3.03 0.00 0.00 36.82 34.67 2gsm h ILE 99 CO -0.06 0.32 0.02 0.74 -0.68 0.00 0.00 178.15 178.49 2gsm h THR 100 N 0.67 1.24 -0.46 -0.27 2.02 -1.21 -1.74 112.91 113.16 2gsm h THR 100 Ca 0.15 -0.85 0.02 0.00 0.77 0.00 0.00 66.41 66.50 2gsm h THR 100 Cb 0.39 1.27 -0.03 0.00 -1.74 0.00 0.00 68.15 68.04 2gsm h THR 100 CO 0.01 0.27 0.27 1.23 0.37 0.00 0.00 175.52 177.67 2gsm h GLY 101 N 0.27 0.64 0.62 2.16 0.00 -0.90 -0.61 103.07 105.25 2gsm h GLY 101 Ca 0.08 -0.21 0.02 0.00 0.00 0.00 0.00 47.33 47.23 2gsm h GLY 101 CO 0.01 0.18 -0.16 0.84 0.00 0.00 0.00 176.54 177.41 2gsm h HIS 102 N 0.55 -0.41 -0.02 5.60 6.17 -0.74 -1.27 115.15 125.03 2gsm h HIS 102 Ca 0.18 0.01 -0.00 0.00 0.71 0.00 0.00 60.37 61.27 2gsm h HIS 102 Cb 0.00 0.18 -0.00 0.00 2.52 0.00 0.00 27.41 30.12 2gsm h HIS 102 CO -0.07 -0.23 0.01 0.78 0.71 0.00 0.00 177.93 179.13 2gsm h GLY 103 N -0.26 0.03 0.92 5.26 0.00 -1.21 -1.80 103.07 106.02 2gsm h GLY 103 Ca 0.05 -0.01 0.01 0.00 0.00 0.00 0.00 47.33 47.38 2gsm h GLY 103 CO -0.15 0.01 0.01 -2.22 0.00 0.00 0.00 176.54 174.19 2gsm h ILE 104 N -0.07 0.97 -0.39 2.60 1.08 -1.07 -0.88 117.51 119.74 2gsm h ILE 104 Ca 0.01 -0.01 0.06 0.00 -0.39 0.00 0.00 64.86 64.52 2gsm h ILE 104 Cb 0.10 0.93 -0.05 0.00 -3.07 0.00 0.00 36.82 34.72 2gsm h ILE 104 CO -0.00 0.01 0.08 -0.07 -0.69 0.00 0.00 178.15 177.48 2gsm h LEU 105 N 0.04 0.02 0.01 1.44 3.38 -1.21 -0.66 115.31 118.33 2gsm h LEU 105 Ca 0.03 0.06 -0.00 0.00 0.09 0.00 0.00 57.88 58.06 2gsm h LEU 105 Cb 0.03 0.08 0.00 0.00 0.09 0.00 0.00 40.66 40.86 2gsm h LEU 105 CO -0.04 0.05 -0.00 0.24 0.09 0.00 0.00 178.44 178.77 2gsm h MET 106 N 0.21 -0.01 0.00 1.13 2.86 -1.01 0.26 114.93 118.38 2gsm h MET 106 Ca 0.19 0.00 -0.13 0.00 -2.06 0.00 0.00 59.70 57.70 2gsm h MET 106 Cb 0.22 0.00 -0.02 0.00 0.06 0.00 0.00 31.60 31.87 2gsm h MET 106 CO -0.24 0.15 -0.61 0.52 1.06 0.00 0.00 176.91 177.79 2gsm h MET 107 N -0.17 0.00 0.00 1.72 2.86 -1.04 -3.15 114.93 115.15 2gsm h MET 107 Ca -0.00 0.00 -0.19 0.00 -2.06 0.00 0.00 59.70 57.45 2gsm h MET 107 Cb 0.17 0.00 -0.04 0.00 0.06 0.00 0.00 31.60 31.79 2gsm h MET 107 CO 0.00 0.61 -1.71 1.19 1.06 0.00 0.00 176.91 178.06 2gsm n PHE 108 N -3.44 0.00 -0.10 -0.22 3.72 -0.27 -4.79 117.46 112.37 2gsm n PHE 108 Ca 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 57.45 57.40 2gsm n PHE 108 Cb 0.70 -0.51 0.00 0.00 -0.94 0.00 0.00 39.48 38.73 2gsm n PHE 108 CO 0.00 0.00 0.00 1.19 -0.05 0.00 0.00 176.76 177.90 2gsm n PHE 109 N -2.41 0.00 0.00 1.38 3.72 0.84 -4.72 117.46 116.27 2gsm n PHE 109 Ca -0.17 -0.44 0.00 0.00 -0.05 0.00 0.00 57.45 56.78 2gsm n PHE 109 Cb 0.83 -0.04 0.00 0.00 -0.94 0.00 0.00 39.48 39.33 2gsm n PHE 109 CO 0.00 0.00 0.00 0.28 -0.05 0.00 0.00 176.76 176.99 2gsm n VAL 110 N -0.44 0.00 0.12 -4.37 0.31 -0.69 -4.65 118.33 108.60 2gsm n VAL 110 Ca 0.00 0.00 -0.22 0.00 -0.01 0.00 0.00 64.34 64.11 2gsm n VAL 110 Cb 0.27 -0.60 -0.14 0.00 -0.91 0.00 0.00 33.84 32.46 2gsm n VAL 110 CO 0.00 0.00 0.00 1.62 -1.32 0.00 0.00 176.83 177.13 2gsm h VAL 111 N 0.00 1.32 -0.03 2.52 3.04 -1.83 -1.20 116.25 120.08 2gsm h VAL 111 Ca 0.00 -2.65 -0.04 0.00 -1.01 0.00 0.00 66.70 63.00 2gsm h VAL 111 Cb 0.00 2.86 0.00 0.00 -2.01 0.00 0.00 31.29 32.15 2gsm h VAL 111 CO 0.00 0.80 -0.15 0.40 -1.01 0.00 0.00 177.57 177.60 2gsm h ILE 112 N 0.19 1.48 -1.01 3.17 2.04 -1.87 -0.85 117.51 120.67 2gsm h ILE 112 Ca -0.20 -1.65 0.22 0.00 1.00 0.00 0.00 64.86 64.23 2gsm h ILE 112 Cb 2.02 2.48 -0.12 0.00 -0.74 0.00 0.00 36.82 40.46 2gsm h ILE 112 CO 0.25 0.45 0.61 -0.65 0.00 0.00 0.00 178.15 178.80 2gsm h PRO 113 N -0.43 0.62 0.04 2.37 0.11 -1.84 0.44 132.00 133.31 2gsm h PRO 113 Ca -0.01 -0.04 -0.00 0.00 0.11 0.00 0.00 66.00 66.06 2gsm h PRO 113 Cb 0.82 -0.14 0.00 0.00 0.11 0.00 0.00 31.00 31.79 2gsm h PRO 113 CO 0.03 0.41 -0.02 0.00 -0.21 0.00 0.00 178.00 178.21 2gsm h ALA 114 N 1.69 -0.05 0.08 -0.75 0.00 -1.03 0.32 119.26 119.52 2gsm h ALA 114 Ca 0.62 -0.22 -0.00 0.00 0.00 0.00 0.00 54.91 55.30 2gsm h ALA 114 Cb 1.12 0.02 0.00 0.00 0.00 0.00 0.00 17.79 18.93 2gsm h ALA 114 CO -0.42 -0.31 -0.04 -0.07 0.00 0.00 0.00 179.25 178.41 2gsm h LEU 115 N -0.50 -0.10 0.00 0.00 3.38 -0.77 -1.78 115.31 115.54 2gsm h LEU 115 Ca -0.01 -0.48 -0.03 0.00 0.09 0.00 0.00 57.88 57.46 2gsm h LEU 115 Cb 0.46 0.02 -0.00 0.00 0.09 0.00 0.00 40.66 41.23 2gsm h LEU 115 CO 0.01 0.56 -0.21 0.15 0.09 0.00 0.00 178.44 179.05 2gsm h PHE 116 N -0.90 0.00 -0.07 1.13 3.57 -0.31 -0.00 116.94 120.36 2gsm h PHE 116 Ca -0.01 0.00 -0.10 0.00 3.53 0.00 0.00 57.97 61.39 2gsm h PHE 116 Cb 0.57 0.00 -0.01 0.00 2.79 0.00 0.00 35.95 39.30 2gsm h PHE 116 CO 0.12 0.57 -0.39 0.78 -2.23 0.00 0.00 178.31 177.17 2gsm h GLY 117 N -1.00 0.17 0.00 2.40 0.00 -1.05 -2.85 103.07 100.74 2gsm h GLY 117 Ca -0.04 -0.15 0.00 0.00 0.00 0.00 0.00 47.33 47.14 2gsm h GLY 117 CO -0.03 0.14 0.00 0.61 0.00 0.00 0.00 176.54 177.26 2gsm n GLY 118 N -0.30 0.26 0.31 4.60 0.00 0.11 -3.71 105.19 106.46 2gsm n GLY 118 Ca -0.01 0.00 -0.03 0.00 0.00 0.00 0.00 46.02 45.98 2gsm n GLY 118 CO 0.00 0.00 0.00 0.74 0.00 0.00 0.00 173.32 174.06 2gsm h PHE 119 N 0.00 0.91 0.39 1.61 0.04 -1.17 -1.40 116.94 117.32 2gsm h PHE 119 Ca 0.00 -0.07 -0.00 0.00 2.80 0.00 0.00 57.97 60.69 2gsm h PHE 119 Cb 0.00 -0.27 -0.02 0.00 2.20 0.00 0.00 35.95 37.85 2gsm h PHE 119 CO 0.00 0.73 -0.42 0.78 -0.60 0.00 0.00 178.31 178.80 2gsm h GLY 120 N 1.00 -1.00 1.21 -1.45 0.00 -0.79 0.20 103.07 102.25 2gsm h GLY 120 Ca 0.20 0.49 -0.01 0.00 0.00 0.00 0.00 47.33 48.00 2gsm h GLY 120 CO -0.01 -0.33 0.41 3.43 0.00 0.00 0.00 176.54 180.04 2gsm h ASN 121 N -0.84 0.92 0.18 0.19 2.35 -1.42 -1.80 115.58 115.16 2gsm h ASN 121 Ca -0.03 -0.07 -0.01 0.00 -0.55 0.00 0.00 56.30 55.63 2gsm h ASN 121 Cb 0.75 -0.23 0.00 0.00 0.05 0.00 0.00 38.32 38.89 2gsm h ASN 121 CO -0.08 0.74 -0.09 0.22 -1.65 0.00 0.00 177.43 176.58 2gsm h TYR 122 N 1.04 -0.22 0.00 1.19 5.03 -1.08 -3.40 116.97 119.53 2gsm h TYR 122 Ca 0.26 -0.01 -0.30 0.00 2.58 0.00 0.00 58.73 61.27 2gsm h TYR 122 Cb 0.03 0.07 -0.05 0.00 1.55 0.00 0.00 36.73 38.33 2gsm h TYR 122 CO 0.01 0.20 -1.92 1.19 -1.32 0.00 0.00 178.16 176.31 2gsm n PHE 123 N -4.97 0.63 0.02 -3.82 3.72 0.69 -4.19 117.46 109.55 2gsm n PHE 123 Ca -0.08 0.22 -0.10 0.00 -0.05 0.00 0.00 57.45 57.44 2gsm n PHE 123 Cb 0.26 -1.09 -0.04 0.00 -0.94 0.00 0.00 39.48 37.67 2gsm n PHE 123 CO 0.00 0.00 0.00 1.98 -0.05 0.00 0.00 176.76 178.69 2gsm h MET 124 N 0.00 -0.16 -0.63 -1.08 4.05 -1.44 0.29 114.93 115.95 2gsm h MET 124 Ca -0.36 0.01 0.05 0.00 -0.28 0.00 0.00 59.70 59.13 2gsm h MET 124 Cb 2.02 0.04 -0.05 0.00 -0.80 0.00 0.00 31.60 32.81 2gsm h MET 124 CO 0.06 -0.11 0.35 -1.35 0.23 0.00 0.00 176.91 176.09 2gsm h PRO 125 N -0.17 0.65 -0.71 0.39 0.11 -1.78 -1.88 132.00 128.61 2gsm h PRO 125 Ca 0.06 -0.04 0.06 0.00 0.11 0.00 0.00 66.00 66.20 2gsm h PRO 125 Cb 0.26 -0.15 -0.06 0.00 0.11 0.00 0.00 31.00 31.16 2gsm h PRO 125 CO -0.16 0.43 0.40 -0.07 -0.21 0.00 0.00 178.00 178.39 2gsm h LEU 126 N 0.67 0.59 -1.41 2.35 3.38 -1.57 0.89 115.31 120.21 2gsm h LEU 126 Ca 0.28 0.03 -0.05 0.00 0.09 0.00 0.00 57.88 58.22 2gsm h LEU 126 Cb 0.14 -0.09 -0.01 0.00 0.09 0.00 0.00 40.66 40.80 2gsm h LEU 126 CO -0.16 0.38 -0.26 0.45 0.09 0.00 0.00 178.44 178.94 2gsm h HIS 127 N 0.73 0.00 -0.10 1.13 3.86 0.31 -2.86 115.15 118.22 2gsm h HIS 127 Ca 0.32 0.00 0.00 0.00 -1.16 0.00 0.00 60.37 59.53 2gsm h HIS 127 Cb 0.21 0.00 0.00 0.00 1.06 0.00 0.00 27.41 28.68 2gsm h HIS 127 CO -0.07 0.26 0.00 0.44 0.86 0.00 0.00 177.93 179.42 2gsm n ILE 128 N -3.72 0.15 -2.09 2.45 -5.35 -0.83 -4.56 119.36 105.42 2gsm n ILE 128 Ca -0.01 -0.57 -0.11 0.00 -0.27 0.00 0.00 62.75 61.79 2gsm n ILE 128 Cb 0.37 1.24 -0.01 0.00 -1.74 0.00 0.00 39.64 39.50 2gsm n ILE 128 CO 0.00 0.00 0.00 0.61 -1.76 0.00 0.00 176.55 175.40 2gsm n GLY 129 N 1.01 0.09 3.83 3.28 0.00 -0.23 -1.66 105.19 111.51 2gsm n GLY 129 Ca 0.12 -0.45 -0.34 0.00 0.00 0.00 0.00 46.02 45.34 2gsm n GLY 129 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2gsm s ALA 130 N -2.51 3.38 0.02 4.61 0.00 0.14 -4.23 121.76 123.17 2gsm s ALA 130 Ca 0.00 0.09 0.12 0.00 0.00 0.00 0.00 51.96 52.17 2gsm s ALA 130 Cb 0.00 -2.78 0.02 0.00 0.00 0.00 0.00 23.12 20.37 2gsm s ALA 130 CO 0.00 0.34 1.41 -1.35 0.00 0.00 0.00 175.76 176.16 2gsm h PRO 131 N 2.90 0.00 -2.79 0.00 0.11 -1.82 -3.39 132.00 127.01 2gsm h PRO 131 Ca -0.48 0.00 0.07 0.00 0.11 0.00 0.00 66.00 65.70 2gsm h PRO 131 Cb 1.18 0.00 -0.03 0.00 0.11 0.00 0.00 31.00 32.27 2gsm h PRO 131 CO 0.65 0.71 0.37 0.34 -0.21 0.00 0.00 178.00 179.86 2gsm s ASP 132 N -6.59 -0.07 0.63 -2.05 -1.08 -1.26 -4.60 116.67 101.65 2gsm s ASP 132 Ca 0.02 -0.83 -0.16 0.00 -0.52 0.00 0.00 52.55 51.06 2gsm s ASP 132 Cb 0.09 0.69 -0.01 0.00 -1.46 0.00 0.00 42.92 42.23 2gsm s ASP 132 CO 0.77 -1.35 1.12 -0.04 0.52 0.00 0.00 175.17 176.20 2gsm s MET 133 N -2.72 2.92 0.24 4.34 -1.94 -1.26 -4.96 119.30 115.91 2gsm s MET 133 Ca 0.16 1.48 -0.06 0.00 -1.71 0.00 0.00 55.69 55.55 2gsm s MET 133 Cb -0.04 -1.96 0.42 0.00 2.01 0.00 0.00 34.83 35.26 2gsm s MET 133 CO 0.08 -1.17 1.68 0.00 -0.01 0.00 0.00 175.02 175.59 2gsm h ALA 134 N 0.34 0.86 -3.02 3.03 0.00 -1.92 -3.31 119.26 115.24 2gsm h ALA 134 Ca -0.48 0.18 -0.62 0.00 0.00 0.00 0.00 54.91 53.99 2gsm h ALA 134 Cb 1.25 0.26 -0.41 0.00 0.00 0.00 0.00 17.79 18.90 2gsm h ALA 134 CO 0.55 -0.36 -0.69 -0.06 0.00 0.00 0.00 179.25 178.69 2gsm s PHE 135 N -6.07 2.68 0.36 0.00 0.08 -1.26 -4.98 117.98 108.78 2gsm s PHE 135 Ca -0.13 -2.90 0.04 0.00 0.12 0.00 0.00 56.93 54.06 2gsm s PHE 135 Cb 0.21 -2.24 0.68 0.00 -0.57 0.00 0.00 43.02 41.10 2gsm s PHE 135 CO 0.75 -0.70 2.00 -1.35 -0.10 0.00 0.00 175.22 175.83 2gsm h PRO 136 N 6.06 0.78 -0.33 0.24 0.11 -1.84 -1.94 132.00 135.08 2gsm h PRO 136 Ca 0.07 -0.05 -0.10 0.00 0.11 0.00 0.00 66.00 66.03 2gsm h PRO 136 Cb 0.86 -0.18 -0.01 0.00 0.11 0.00 0.00 31.00 31.77 2gsm h PRO 136 CO 0.59 0.52 -0.21 0.07 -0.21 0.00 0.00 178.00 178.76 2gsm h ARG 137 N 0.81 0.64 -0.70 1.05 -0.00 -1.94 -1.40 114.38 112.84 2gsm h ARG 137 Ca 0.25 -0.24 -0.05 0.00 -0.00 0.00 0.00 59.98 59.94 2gsm h ARG 137 Cb -0.00 -0.04 -0.03 0.00 -0.00 0.00 0.00 29.97 29.90 2gsm h ARG 137 CO -0.06 0.80 0.23 1.98 -0.00 0.00 0.00 179.97 182.91 2gsm h MET 138 N 0.56 1.08 -0.73 0.08 4.05 -1.84 -2.33 114.93 115.80 2gsm h MET 138 Ca 0.08 -0.23 0.02 0.00 -0.28 0.00 0.00 59.70 59.30 2gsm h MET 138 Cb 0.67 -0.16 -0.04 0.00 -0.80 0.00 0.00 31.60 31.27 2gsm h MET 138 CO 0.05 0.92 0.47 -0.97 0.23 0.00 0.00 176.91 177.61 2gsm h ASN 139 N 1.02 0.79 -0.47 1.39 -1.24 -0.82 0.12 115.58 116.37 2gsm h ASN 139 Ca 0.23 -0.01 -0.05 0.00 0.71 0.00 0.00 56.30 57.17 2gsm h ASN 139 Cb 0.29 -0.18 -0.02 0.00 0.73 0.00 0.00 38.32 39.13 2gsm h ASN 139 CO -0.01 0.56 0.12 -1.13 -1.29 0.00 0.00 177.43 175.68 2gsm h ASN 140 N 0.94 0.76 -0.34 1.15 -1.24 -1.07 -2.88 115.58 112.90 2gsm h ASN 140 Ca 0.28 -0.14 -0.15 0.00 0.71 0.00 0.00 56.30 57.00 2gsm h ASN 140 Cb -0.04 -0.20 -0.01 0.00 0.73 0.00 0.00 38.32 38.81 2gsm h ASN 140 CO -0.09 0.76 -0.36 0.25 -1.29 0.00 0.00 177.43 176.70 2gsm h LEU 141 N 0.78 0.94 -0.86 0.34 5.85 -0.82 -2.74 115.31 118.80 2gsm h LEU 141 Ca 0.17 -0.41 0.16 0.00 0.84 0.00 0.00 57.88 58.64 2gsm h LEU 141 Cb 0.31 -0.26 -0.16 0.00 0.37 0.00 0.00 40.66 40.92 2gsm h LEU 141 CO 0.00 1.19 -0.27 0.28 -0.34 0.00 0.00 178.44 179.31 2gsm h SER 142 N 0.73 -0.97 -0.44 1.25 0.02 -0.58 -0.83 113.55 112.72 2gsm h SER 142 Ca 0.07 0.27 -0.03 0.00 -0.84 0.00 0.00 61.79 61.25 2gsm h SER 142 Cb 0.94 0.59 -0.02 0.00 0.14 0.00 0.00 62.40 64.04 2gsm h SER 142 CO 0.09 -0.29 0.16 0.22 -1.14 0.00 0.00 176.83 175.86 2gsm h TYR 143 N -0.02 0.69 -0.11 3.45 3.20 -1.32 -2.18 116.97 120.68 2gsm h TYR 143 Ca 0.38 -0.06 -0.08 0.00 3.14 0.00 0.00 58.73 62.11 2gsm h TYR 143 Cb 0.62 -0.20 -0.01 0.00 1.54 0.00 0.00 36.73 38.68 2gsm h TYR 143 CO -0.71 0.61 -0.31 -1.49 -1.64 0.00 0.00 178.16 174.62 2gsm h TRP 144 N 0.57 0.24 -0.50 -3.82 4.06 -1.13 -1.56 115.95 113.81 2gsm h TRP 144 Ca 0.15 -0.05 -0.11 0.00 2.06 0.00 0.00 58.89 60.94 2gsm h TRP 144 Cb 0.23 -0.06 -0.02 0.00 -1.00 0.00 0.00 29.16 28.31 2gsm h TRP 144 CO 0.01 0.51 -0.10 -0.07 -3.56 0.00 0.00 178.44 175.22 2gsm h LEU 145 N 0.19 0.93 -0.31 -4.49 3.38 -0.96 -0.01 115.31 114.05 2gsm h LEU 145 Ca 0.03 -0.30 0.01 0.00 0.09 0.00 0.00 57.88 57.71 2gsm h LEU 145 Cb 0.65 -0.25 -0.02 0.00 0.09 0.00 0.00 40.66 41.13 2gsm h LEU 145 CO 0.05 1.05 0.19 0.22 0.09 0.00 0.00 178.44 180.04 2gsm h TYR 146 N 0.84 0.37 -0.60 1.13 3.20 -0.94 0.11 116.97 121.08 2gsm h TYR 146 Ca 0.13 0.01 -0.05 0.00 3.14 0.00 0.00 58.73 61.97 2gsm h TYR 146 Cb 0.64 -0.12 -0.03 0.00 1.54 0.00 0.00 36.73 38.76 2gsm h TYR 146 CO 0.04 0.23 0.18 0.28 -1.64 0.00 0.00 178.16 177.24 2gsm h VAL 147 N 0.40 1.24 -0.34 1.81 2.07 -1.09 -0.43 116.25 119.90 2gsm h VAL 147 Ca 0.12 -0.84 -0.01 0.00 0.82 0.00 0.00 66.70 66.79 2gsm h VAL 147 Cb -0.03 0.66 -0.02 0.00 -1.52 0.00 0.00 31.29 30.38 2gsm h VAL 147 CO -0.04 0.32 0.18 0.00 0.02 0.00 0.00 177.57 178.05 2gsm h ALA 148 N 1.05 0.44 -0.50 1.67 0.00 -0.81 -0.91 119.26 120.19 2gsm h ALA 148 Ca 0.19 -0.08 0.05 0.00 0.00 0.00 0.00 54.91 55.07 2gsm h ALA 148 Cb 0.30 -0.14 -0.05 0.00 0.00 0.00 0.00 17.79 17.90 2gsm h ALA 148 CO -0.00 -0.02 0.23 0.78 0.00 0.00 0.00 179.25 180.23 2gsm h GLY 149 N 0.43 0.69 0.95 0.00 0.00 -0.54 -1.66 103.07 102.94 2gsm h GLY 149 Ca 0.12 -0.15 -0.02 0.00 0.00 0.00 0.00 47.33 47.29 2gsm h GLY 149 CO -0.02 0.07 0.19 -0.84 0.00 0.00 0.00 176.54 175.94 2gsm h THR 150 N 0.45 1.18 -0.74 4.70 2.02 -0.83 -0.76 112.91 118.93 2gsm h THR 150 Ca 0.23 -0.51 0.03 0.00 0.77 0.00 0.00 66.41 66.94 2gsm h THR 150 Cb 0.18 0.78 -0.05 0.00 -1.74 0.00 0.00 68.15 67.32 2gsm h THR 150 CO -0.19 0.19 0.46 0.28 0.37 0.00 0.00 175.52 176.64 2gsm h SER 151 N 0.50 0.75 -0.39 4.18 0.02 -0.99 -0.55 113.55 117.07 2gsm h SER 151 Ca 0.14 0.00 -0.04 0.00 -0.84 0.00 0.00 61.79 61.05 2gsm h SER 151 Cb 0.13 -0.16 -0.02 0.00 0.14 0.00 0.00 62.40 62.49 2gsm h SER 151 CO -0.02 0.51 0.11 -0.07 -1.14 0.00 0.00 176.83 176.23 2gsm h LEU 152 N 0.89 0.59 -0.32 5.07 3.38 -0.92 -0.07 115.31 123.94 2gsm h LEU 152 Ca 0.30 -0.22 0.06 0.00 0.09 0.00 0.00 57.88 58.11 2gsm h LEU 152 Cb 0.04 -0.15 -0.05 0.00 0.09 0.00 0.00 40.66 40.58 2gsm h LEU 152 CO -0.12 0.65 -0.01 0.00 0.09 0.00 0.00 178.44 179.05 2gsm h ALA 153 N 0.96 0.28 -0.38 1.53 0.00 -0.76 -0.50 119.26 120.37 2gsm h ALA 153 Ca 0.13 0.10 -0.02 0.00 0.00 0.00 0.00 54.91 55.12 2gsm h ALA 153 Cb 0.29 0.17 -0.02 0.00 0.00 0.00 0.00 17.79 18.23 2gsm h ALA 153 CO -0.00 -0.41 0.18 0.28 0.00 0.00 0.00 179.25 179.29 2gsm h VAL 154 N 0.08 1.17 -0.50 0.00 2.07 -0.99 -2.80 116.25 115.28 2gsm h VAL 154 Ca 0.15 -0.50 0.01 0.00 0.82 0.00 0.00 66.70 67.18 2gsm h VAL 154 Cb 0.21 0.80 -0.03 0.00 -1.52 0.00 0.00 31.29 30.75 2gsm h VAL 154 CO -0.27 0.19 0.33 0.00 0.02 0.00 0.00 177.57 177.84 2gsm h ALA 155 N 1.03 1.66 -0.31 1.67 0.00 -0.75 -1.84 119.26 120.72 2gsm h ALA 155 Ca 0.13 -0.03 0.09 0.00 0.00 0.00 0.00 54.91 55.10 2gsm h ALA 155 Cb 0.13 -0.20 -0.01 0.00 0.00 0.00 0.00 17.79 17.71 2gsm h ALA 155 CO -0.02 0.31 0.24 0.66 0.00 0.00 0.00 179.25 180.45 2gsm h SER 156 N 0.67 0.00 0.99 0.00 4.64 -0.81 -0.21 113.55 118.82 2gsm h SER 156 Ca 0.19 0.00 -0.01 0.00 -0.47 0.00 0.00 61.79 61.49 2gsm h SER 156 Cb -0.06 0.00 -0.00 0.00 -0.31 0.00 0.00 62.40 62.03 2gsm h SER 156 CO -0.04 0.00 -0.06 -0.07 -0.87 0.00 0.00 176.83 175.79 2gsm h LEU 157 N 0.00 0.00 -1.97 5.97 3.38 -1.37 -3.04 115.31 118.27 2gsm h LEU 157 Ca 0.15 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.12 2gsm h LEU 157 Cb 0.63 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.38 2gsm h LEU 157 CO -0.00 0.06 0.00 0.49 0.09 0.00 0.00 178.44 179.07 2gsm n PHE 158 N -3.18 0.16 -3.49 1.13 3.72 -0.14 -3.75 117.46 111.92 2gsm n PHE 158 Ca 0.00 -0.19 -0.29 0.00 -0.05 0.00 0.00 57.45 56.93 2gsm n PHE 158 Cb 0.33 -0.01 -0.04 0.00 -0.94 0.00 0.00 39.48 38.83 2gsm n PHE 158 CO 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 176.76 176.71 2gsm s ALA 159 N -0.92 3.70 -0.06 4.37 0.00 -0.89 -4.88 121.76 123.09 2gsm s ALA 159 Ca 0.16 -0.61 -0.36 0.00 0.00 0.00 0.00 51.96 51.14 2gsm s ALA 159 Cb 0.10 -2.20 -0.14 0.00 0.00 0.00 0.00 23.12 20.87 2gsm s ALA 159 CO 0.14 0.38 1.66 -2.30 0.00 0.00 0.00 175.76 175.63 2gsm n PRO 160 N -0.66 1.64 0.00 0.00 -0.02 -1.26 -1.24 135.00 133.47 2gsm n PRO 160 Ca -0.02 0.60 0.00 0.00 -2.02 0.00 0.00 63.50 62.05 2gsm n PRO 160 Cb 0.53 -2.34 0.00 0.00 -0.02 0.00 0.00 33.50 31.68 2gsm n PRO 160 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 2gsm n GLY 161 N 3.72 5.48 3.78 -1.23 0.00 0.12 -1.09 105.19 115.97 2gsm n GLY 161 Ca 0.22 -1.18 -0.34 0.00 0.00 0.00 0.00 46.02 44.72 2gsm n GLY 161 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 2gsm s GLY 162 N 0.00 2.38 -1.86 -0.02 0.00 -1.04 -3.84 107.32 102.95 2gsm s GLY 162 Ca 0.00 0.65 0.00 0.00 0.00 0.00 0.00 44.72 45.37 2gsm s GLY 162 CO 0.00 1.00 0.00 0.70 0.00 0.00 0.00 173.10 174.80 2gsm n ASN 163 N -1.79 -5.86 -1.01 1.64 3.02 -1.26 -1.49 115.26 108.51 2gsm n ASN 163 Ca 0.11 0.07 -0.13 0.00 -0.03 0.00 0.00 54.58 54.59 2gsm n ASN 163 Cb 0.52 -4.92 -0.05 0.00 -0.61 0.00 0.00 39.78 34.71 2gsm n ASN 163 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 2gsm n GLY 164 N -0.92 1.27 0.34 7.41 0.00 -1.25 -5.00 105.19 107.04 2gsm n GLY 164 Ca -0.24 -0.43 -0.03 0.00 0.00 0.00 0.00 46.02 45.32 2gsm n GLY 164 CO 0.00 0.00 0.00 -1.06 0.00 0.00 0.00 173.32 172.26 2gsm n GLN 165 N -2.61 1.78 -3.56 1.61 6.02 -0.55 -4.97 117.38 115.10 2gsm n GLN 165 Ca -0.13 -0.34 -0.31 0.00 -0.01 0.00 0.00 57.00 56.21 2gsm n GLN 165 Cb 0.43 0.08 -0.04 0.00 1.02 0.00 0.00 30.24 31.73 2gsm n GLN 165 CO 0.00 0.00 0.00 -0.51 -1.01 0.00 0.00 177.06 175.54 2gsm s LEU 166 N 0.00 4.20 0.00 1.08 1.43 -1.26 0.14 118.68 124.27 2gsm s LEU 166 Ca 0.01 0.67 0.00 0.00 -1.03 0.00 0.00 54.13 53.78 2gsm s LEU 166 Cb -0.00 -3.43 0.00 0.00 0.03 0.00 0.00 46.19 42.79 2gsm s LEU 166 CO 0.00 -0.03 0.00 0.61 0.23 0.00 0.00 176.35 177.17 2gsm n GLY 167 N -0.21 -0.42 3.67 -3.19 0.00 -0.37 -4.67 105.19 100.00 2gsm n GLY 167 Ca -0.02 -1.57 -0.38 0.00 0.00 0.00 0.00 46.02 44.06 2gsm n GLY 167 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 2gsm s SER 168 N -1.83 6.35 -0.85 1.61 0.01 -1.26 -2.48 113.70 115.25 2gsm s SER 168 Ca 0.00 0.40 0.01 0.00 1.31 0.00 0.00 55.95 57.67 2gsm s SER 168 Cb 0.00 -2.19 0.31 0.00 0.21 0.00 0.00 66.02 64.34 2gsm s SER 168 CO 0.00 -0.03 1.31 0.61 0.41 0.00 0.00 173.24 175.54 2gsm n GLY 169 N 4.00 5.53 0.00 3.44 0.00 -1.26 -4.13 105.19 112.77 2gsm n GLY 169 Ca -0.10 -2.69 0.00 0.00 0.00 0.00 0.00 46.02 43.22 2gsm n GLY 169 CO 0.00 0.00 0.00 0.29 0.00 0.00 0.00 173.32 173.61 2gsm n ILE 170 N 0.40 0.00 0.00 -0.61 -5.35 -1.26 -4.80 119.36 107.74 2gsm n ILE 170 Ca 0.35 -0.41 0.00 0.00 -0.27 0.00 0.00 62.75 62.42 2gsm n ILE 170 Cb 0.34 1.17 0.00 0.00 -1.74 0.00 0.00 39.64 39.41 2gsm n ILE 170 CO 0.00 0.00 0.00 0.61 -1.76 0.00 0.00 176.55 175.40 2gsm n GLY 171 N 0.06 -1.25 0.26 3.28 0.00 -1.26 -3.97 105.19 102.31 2gsm n GLY 171 Ca 0.00 -1.45 0.17 0.00 0.00 0.00 0.00 46.02 44.74 2gsm n GLY 171 CO 0.00 0.00 0.00 0.11 0.00 0.00 0.00 173.32 173.43 2gsm h TRP 172 N 0.00 0.00 -0.24 1.61 5.08 -1.87 -2.46 115.95 118.07 2gsm h TRP 172 Ca 0.00 0.00 0.00 0.00 1.08 0.00 0.00 58.89 59.97 2gsm h TRP 172 Cb 0.00 0.00 0.00 0.00 -3.00 0.00 0.00 29.16 26.16 2gsm h TRP 172 CO 0.00 0.00 0.00 1.33 -1.28 0.00 0.00 178.44 178.49 2gsm n VAL 173 N -2.87 0.29 -3.87 0.12 0.24 -1.26 -4.84 118.33 106.14 2gsm n VAL 173 Ca -0.00 -0.58 -0.27 0.00 -2.04 0.00 0.00 64.34 61.45 2gsm n VAL 173 Cb 0.20 0.96 0.02 0.00 -1.47 0.00 0.00 33.84 33.55 2gsm n VAL 173 CO 0.00 0.00 0.00 0.18 -2.14 0.00 0.00 176.83 174.87 2gsm n LEU 174 N 1.15 -2.63 -4.71 1.34 4.77 -0.93 -4.90 117.00 111.09 2gsm n LEU 174 Ca 0.17 -0.84 -0.42 0.00 -0.03 0.00 0.00 56.01 54.89 2gsm n LEU 174 Cb 0.54 -2.51 -0.03 0.00 -2.33 0.00 0.00 43.42 39.09 2gsm n LEU 174 CO 0.15 0.43 1.40 -1.22 -1.33 0.00 0.00 177.39 176.82 2gsm n TYR 175 N -4.48 2.71 -2.31 -1.77 4.02 -1.26 -4.55 117.16 109.53 2gsm n TYR 175 Ca -0.12 -0.01 -0.28 0.00 -0.01 0.00 0.00 57.90 57.48 2gsm n TYR 175 Cb 0.60 -2.69 0.03 0.00 -0.02 0.00 0.00 39.34 37.26 2gsm n TYR 175 CO 0.00 0.00 0.00 -1.25 -1.01 0.00 0.00 176.86 174.60 2gsm s PRO 176 N 1.60 3.05 0.00 -0.72 0.04 -1.26 -0.49 135.00 137.21 2gsm s PRO 176 Ca 0.77 0.16 0.18 0.00 0.04 0.00 0.00 61.00 62.15 2gsm s PRO 176 Cb -0.50 -2.23 0.94 0.00 0.04 0.00 0.00 34.50 32.75 2gsm s PRO 176 CO 0.34 -0.68 1.53 -2.30 0.04 0.00 0.00 177.00 175.92 2gsm n PRO 177 N -2.62 0.32 -0.03 0.56 -0.02 -1.26 -4.80 135.00 127.15 2gsm n PRO 177 Ca 0.04 0.09 -0.10 0.00 -2.02 0.00 0.00 63.50 61.52 2gsm n PRO 177 Cb 0.57 -1.50 -0.03 0.00 -0.02 0.00 0.00 33.50 32.51 2gsm n PRO 177 CO 0.00 0.00 0.00 1.25 1.98 0.00 0.00 175.50 178.73 2gsm h LEU 178 N 0.00 0.03 -1.39 2.45 5.85 -1.89 -1.28 115.31 119.08 2gsm h LEU 178 Ca 0.00 0.02 -0.06 0.00 0.84 0.00 0.00 57.88 58.68 2gsm h LEU 178 Cb 0.13 0.03 -0.01 0.00 0.37 0.00 0.00 40.66 41.18 2gsm h LEU 178 CO 0.00 0.04 -0.31 0.77 -0.34 0.00 0.00 178.44 178.60 2gsm h SER 179 N 0.11 0.00 1.43 1.25 4.64 -1.03 -2.36 113.55 117.59 2gsm h SER 179 Ca 0.07 0.00 -0.00 0.00 -0.47 0.00 0.00 61.79 61.39 2gsm h SER 179 Cb 0.06 0.00 -0.00 0.00 -0.31 0.00 0.00 62.40 62.15 2gsm h SER 179 CO -0.09 0.31 -0.57 0.71 -0.87 0.00 0.00 176.83 176.32 2gsm h THR 180 N 0.00 0.00 -0.01 2.95 1.35 -1.73 -3.30 112.91 112.18 2gsm h THR 180 Ca -0.00 -1.00 0.00 0.00 -0.55 0.00 0.00 66.41 64.86 2gsm h THR 180 Cb 0.55 1.72 0.00 0.00 -1.73 0.00 0.00 68.15 68.69 2gsm h THR 180 CO 0.04 0.00 -0.62 -1.54 -0.25 0.00 0.00 175.52 173.15 2gsm n SER 181 N -2.86 1.60 -4.71 5.36 3.41 -0.52 -4.63 113.62 111.27 2gsm n SER 181 Ca 0.02 -1.28 -0.42 0.00 -0.26 0.00 0.00 58.87 56.93 2gsm n SER 181 Cb 0.54 0.61 -0.03 0.00 -0.26 0.00 0.00 64.21 65.07 2gsm n SER 181 CO 0.00 0.00 0.00 -0.70 -0.16 0.00 0.00 175.04 174.18 2gsm s GLU 182 N -2.66 4.17 0.94 4.33 2.56 -0.91 -4.97 118.70 122.17 2gsm s GLU 182 Ca 0.15 2.48 -0.12 0.00 0.00 0.00 0.00 54.97 57.48 2gsm s GLU 182 Cb 0.18 -3.33 0.15 0.00 2.00 0.00 0.00 34.13 33.13 2gsm s GLU 182 CO 0.66 -0.73 1.09 -1.54 -0.56 0.00 0.00 175.26 174.19 2gsm s SER 183 N 1.78 3.10 0.15 -1.70 1.04 -1.26 -4.88 113.70 111.94 2gsm s SER 183 Ca 0.75 1.44 0.00 0.00 0.48 0.00 0.00 55.95 58.62 2gsm s SER 183 Cb -0.45 -2.11 0.00 0.00 0.10 0.00 0.00 66.02 63.56 2gsm s SER 183 CO 0.33 -2.86 0.00 0.61 0.98 0.00 0.00 173.24 172.29 2gsm n GLY 184 N -0.96 -1.90 0.15 7.32 0.00 -1.25 -3.28 105.19 105.26 2gsm n GLY 184 Ca 0.06 -1.36 0.02 0.00 0.00 0.00 0.00 46.02 44.74 2gsm n GLY 184 CO 0.00 0.00 0.00 1.58 0.00 0.00 0.00 173.32 174.90 2gsm n TYR 185 N -0.30 0.04 -0.28 1.61 4.11 -0.36 -4.69 117.16 117.29 2gsm n TYR 185 Ca 0.00 -0.14 0.08 0.00 -0.00 0.00 0.00 57.90 57.84 2gsm n TYR 185 Cb 0.00 -0.01 0.21 0.00 -0.00 0.00 0.00 39.34 39.53 2gsm n TYR 185 CO 0.00 0.00 0.00 1.03 -0.00 0.00 0.00 176.86 177.89 2gsm h SER 186 N 0.62 -0.30 -0.24 9.48 0.87 -1.37 0.97 113.55 123.59 2gsm h SER 186 Ca 0.00 0.21 -0.06 0.00 -1.23 0.00 0.00 61.79 60.71 2gsm h SER 186 Cb 0.26 0.35 -0.02 0.00 -0.44 0.00 0.00 62.40 62.55 2gsm h SER 186 CO 0.00 -0.20 -0.02 0.74 -0.53 0.00 0.00 176.83 176.82 2gsm h THR 187 N 0.11 1.21 -0.39 2.23 2.02 -1.84 -0.91 112.91 115.33 2gsm h THR 187 Ca 0.47 -0.85 -0.07 0.00 0.77 0.00 0.00 66.41 66.74 2gsm h THR 187 Cb 0.89 0.97 -0.01 0.00 -1.74 0.00 0.00 68.15 68.25 2gsm h THR 187 CO -0.71 0.29 -0.02 0.44 0.37 0.00 0.00 175.52 175.90 2gsm h ASP 188 N 0.53 0.70 -0.97 4.18 5.19 -1.18 -1.08 116.42 123.78 2gsm h ASP 188 Ca 0.11 -0.32 0.03 0.00 -0.62 0.00 0.00 57.03 56.23 2gsm h ASP 188 Cb 0.37 -0.19 -0.05 0.00 0.18 0.00 0.00 39.33 39.64 2gsm h ASP 188 CO 0.01 0.85 0.64 -0.07 -3.12 0.00 0.00 179.24 177.55 2gsm h LEU 189 N 0.53 1.07 -0.70 1.55 3.38 -0.67 -1.04 115.31 119.43 2gsm h LEU 189 Ca 0.11 -0.01 -0.06 0.00 0.09 0.00 0.00 57.88 58.00 2gsm h LEU 189 Cb 0.50 -0.25 -0.03 0.00 0.09 0.00 0.00 40.66 40.97 2gsm h LEU 189 CO 0.02 0.74 0.19 0.00 0.09 0.00 0.00 178.44 179.48 2gsm h ALA 190 N 1.43 0.92 -0.38 1.53 0.00 -0.88 -1.05 119.26 120.82 2gsm h ALA 190 Ca 0.38 -0.24 -0.04 0.00 0.00 0.00 0.00 54.91 55.01 2gsm h ALA 190 Cb -0.03 -0.27 -0.02 0.00 0.00 0.00 0.00 17.79 17.48 2gsm h ALA 190 CO -0.11 0.63 0.07 0.82 0.00 0.00 0.00 179.25 180.65 2gsm h ILE 191 N 1.04 1.24 -0.87 0.00 2.04 -0.46 -1.78 117.51 118.72 2gsm h ILE 191 Ca 0.22 -0.84 -0.02 0.00 1.00 0.00 0.00 64.86 65.22 2gsm h ILE 191 Cb 0.35 1.05 -0.04 0.00 -0.74 0.00 0.00 36.82 37.43 2gsm h ILE 191 CO -0.00 0.29 0.48 -0.26 0.00 0.00 0.00 178.15 178.66 2gsm h PHE 192 N 0.48 1.18 -0.31 1.37 0.04 -1.10 -1.24 116.94 117.37 2gsm h PHE 192 Ca 0.12 -0.03 0.07 0.00 2.80 0.00 0.00 57.97 60.93 2gsm h PHE 192 Cb 0.36 -0.38 -0.07 0.00 2.20 0.00 0.00 35.95 38.06 2gsm h PHE 192 CO 0.02 0.82 -0.16 0.00 -0.60 0.00 0.00 178.31 178.39 2gsm h ALA 193 N 1.26 0.08 -0.71 2.45 0.00 -0.93 -1.44 119.26 119.98 2gsm h ALA 193 Ca 0.31 0.11 -0.05 0.00 0.00 0.00 0.00 54.91 55.28 2gsm h ALA 193 Cb 0.02 0.37 -0.03 0.00 0.00 0.00 0.00 17.79 18.15 2gsm h ALA 193 CO -0.05 -0.55 0.25 0.28 0.00 0.00 0.00 179.25 179.18 2gsm h VAL 194 N -0.11 1.25 -0.45 0.00 2.07 -0.90 -0.62 116.25 117.49 2gsm h VAL 194 Ca 0.16 -0.84 0.08 0.00 0.82 0.00 0.00 66.70 66.92 2gsm h VAL 194 Cb 0.36 0.47 -0.07 0.00 -1.52 0.00 0.00 31.29 30.52 2gsm h VAL 194 CO -0.38 0.33 0.02 0.45 0.02 0.00 0.00 177.57 178.01 2gsm h HIS 195 N 1.03 0.01 -0.69 1.57 -0.00 -1.02 -0.31 115.15 115.74 2gsm h HIS 195 Ca 0.23 0.03 -0.05 0.00 -0.00 0.00 0.00 60.37 60.58 2gsm h HIS 195 Cb 0.26 0.06 -0.03 0.00 -0.00 0.00 0.00 27.41 27.71 2gsm h HIS 195 CO 0.02 -0.08 0.22 -0.07 -0.00 0.00 0.00 177.93 178.03 2gsm h LEU 196 N 0.13 1.01 -0.14 2.43 3.38 -0.84 -1.10 115.31 120.18 2gsm h LEU 196 Ca 0.22 -0.21 0.02 0.00 0.09 0.00 0.00 57.88 58.01 2gsm h LEU 196 Cb 0.32 -0.26 -0.02 0.00 0.09 0.00 0.00 40.66 40.79 2gsm h LEU 196 CO -0.35 0.95 0.02 -1.28 0.09 0.00 0.00 178.44 177.86 2gsm h SER 197 N 1.02 -0.01 -0.89 -0.43 0.87 -0.85 -1.04 113.55 112.21 2gsm h SER 197 Ca 0.22 0.02 0.06 0.00 -1.23 0.00 0.00 61.79 60.87 2gsm h SER 197 Cb 0.30 0.04 -0.06 0.00 -0.44 0.00 0.00 62.40 62.23 2gsm h SER 197 CO -0.01 0.01 0.55 1.23 -0.53 0.00 0.00 176.83 178.09 2gsm h GLY 198 N 0.07 1.34 0.83 5.77 0.00 -0.74 -0.18 103.07 110.16 2gsm h GLY 198 Ca 0.06 -0.40 -0.00 0.00 0.00 0.00 0.00 47.33 46.99 2gsm h GLY 198 CO -0.09 0.27 0.02 0.00 0.00 0.00 0.00 176.54 176.75 2gsm h ALA 199 N 1.42 0.08 -0.56 3.60 0.00 -0.98 0.31 119.26 123.13 2gsm h ALA 199 Ca 0.39 -0.10 0.10 0.00 0.00 0.00 0.00 54.91 55.29 2gsm h ALA 199 Cb 0.17 -0.03 -0.08 0.00 0.00 0.00 0.00 17.79 17.86 2gsm h ALA 199 CO -0.17 -0.32 0.13 1.03 0.00 0.00 0.00 179.25 179.92 2gsm h SER 200 N -0.07 0.03 -0.61 0.00 0.87 -0.84 -0.86 113.55 112.06 2gsm h SER 200 Ca 0.02 0.10 -0.04 0.00 -1.23 0.00 0.00 61.79 60.63 2gsm h SER 200 Cb 0.19 0.13 -0.03 0.00 -0.44 0.00 0.00 62.40 62.26 2gsm h SER 200 CO -0.00 0.03 0.21 0.28 -0.53 0.00 0.00 176.83 176.82 2gsm h SER 201 N 0.27 0.87 -0.21 6.23 0.02 -0.73 -2.14 113.55 117.85 2gsm h SER 201 Ca 0.28 -0.20 -0.04 0.00 -0.84 0.00 0.00 61.79 61.00 2gsm h SER 201 Cb 0.40 -0.23 -0.01 0.00 0.14 0.00 0.00 62.40 62.70 2gsm h SER 201 CO -0.36 0.83 -0.01 0.40 -1.14 0.00 0.00 176.83 176.55 2gsm h ILE 202 N 0.86 1.26 -0.82 3.27 2.04 -0.54 -0.21 117.51 123.38 2gsm h ILE 202 Ca 0.20 -0.92 0.07 0.00 1.00 0.00 0.00 64.86 65.20 2gsm h ILE 202 Cb 0.26 1.45 -0.06 0.00 -0.74 0.00 0.00 36.82 37.74 2gsm h ILE 202 CO -0.01 0.28 0.49 -0.07 0.00 0.00 0.00 178.15 178.84 2gsm h LEU 203 N 0.13 0.75 -0.19 1.44 3.38 -1.15 -0.36 115.31 119.31 2gsm h LEU 203 Ca 0.06 0.02 -0.00 0.00 0.09 0.00 0.00 57.88 58.05 2gsm h LEU 203 Cb 0.43 -0.13 -0.01 0.00 0.09 0.00 0.00 40.66 41.04 2gsm h LEU 203 CO 0.01 0.47 0.12 1.23 0.09 0.00 0.00 178.44 180.36 2gsm h GLY 204 N 0.88 0.27 1.13 0.83 0.00 -1.14 -2.17 103.07 102.87 2gsm h GLY 204 Ca 0.36 -0.11 0.01 0.00 0.00 0.00 0.00 47.33 47.59 2gsm h GLY 204 CO -0.19 0.11 0.58 0.00 0.00 0.00 0.00 176.54 177.04 2gsm h ALA 205 N 1.04 1.36 -0.01 3.60 0.00 -0.30 0.19 119.26 125.14 2gsm h ALA 205 Ca 0.07 -0.07 0.00 0.00 0.00 0.00 0.00 54.91 54.91 2gsm h ALA 205 Cb 0.01 -0.36 -0.00 0.00 0.00 0.00 0.00 17.79 17.44 2gsm h ALA 205 CO -0.01 0.59 -0.00 0.82 0.00 0.00 0.00 179.25 180.64 2gsm h ILE 206 N 1.20 0.99 -0.57 0.00 1.08 -0.82 -1.68 117.51 117.71 2gsm h ILE 206 Ca 0.32 0.00 0.01 0.00 -0.39 0.00 0.00 64.86 64.81 2gsm h ILE 206 Cb -0.13 0.99 -0.03 0.00 -3.07 0.00 0.00 36.82 34.58 2gsm h ILE 206 CO -0.07 0.00 0.36 0.78 -0.69 0.00 0.00 178.15 178.54 2gsm h ASN 207 N -0.01 0.62 -0.61 1.72 2.35 -0.98 -1.79 115.58 116.88 2gsm h ASN 207 Ca 0.00 -0.01 -0.09 0.00 -0.55 0.00 0.00 56.30 55.66 2gsm h ASN 207 Cb 0.01 -0.15 -0.02 0.00 0.05 0.00 0.00 38.32 38.21 2gsm h ASN 207 CO -0.01 0.44 0.04 0.24 -1.65 0.00 0.00 177.43 176.49 2gsm h MET 208 N 0.74 1.04 -0.10 0.81 2.86 -0.71 -1.60 114.93 117.97 2gsm h MET 208 Ca 0.22 -0.31 -0.07 0.00 -2.06 0.00 0.00 59.70 57.47 2gsm h MET 208 Cb -0.05 -0.11 0.00 0.00 0.06 0.00 0.00 31.60 31.51 2gsm h MET 208 CO -0.07 1.00 -0.23 0.82 1.06 0.00 0.00 176.91 179.50 2gsm h ILE 209 N 0.95 1.39 -0.21 -1.22 2.04 -1.14 -1.34 117.51 117.98 2gsm h ILE 209 Ca 0.18 -1.53 -0.00 0.00 1.00 0.00 0.00 64.86 64.50 2gsm h ILE 209 Cb 0.51 2.13 -0.01 0.00 -0.74 0.00 0.00 36.82 38.71 2gsm h ILE 209 CO 0.02 0.44 0.11 0.74 0.00 0.00 0.00 178.15 179.47 2gsm h THR 210 N -0.11 1.12 -0.19 -0.27 2.02 -1.32 -1.34 112.91 112.82 2gsm h THR 210 Ca 0.00 -0.32 0.00 0.00 0.77 0.00 0.00 66.41 66.86 2gsm h THR 210 Cb 0.82 0.95 -0.01 0.00 -1.74 0.00 0.00 68.15 68.17 2gsm h THR 210 CO 0.05 0.11 0.12 0.74 0.37 0.00 0.00 175.52 176.91 2gsm h THR 211 N 0.23 1.06 -0.98 3.16 2.02 -1.33 -1.15 112.91 115.90 2gsm h THR 211 Ca 0.07 -0.13 0.02 0.00 0.77 0.00 0.00 66.41 67.15 2gsm h THR 211 Cb 0.08 0.80 -0.05 0.00 -1.74 0.00 0.00 68.15 67.24 2gsm h THR 211 CO -0.01 0.06 0.65 0.15 0.37 0.00 0.00 175.52 176.73 2gsm h PHE 212 N 0.25 1.22 0.09 3.16 3.04 -1.07 -0.78 116.94 122.85 2gsm h PHE 212 Ca 0.07 0.03 -0.27 0.00 3.98 0.00 0.00 57.97 61.78 2gsm h PHE 212 Cb -0.01 -0.41 -0.01 0.00 2.56 0.00 0.00 35.95 38.08 2gsm h PHE 212 CO -0.06 0.73 -1.31 -0.07 -2.02 0.00 0.00 178.31 175.58 2gsm h LEU 213 N 1.28 0.31 0.00 0.59 3.38 -1.02 -3.40 115.31 116.46 2gsm h LEU 213 Ca 0.38 -0.37 -0.26 0.00 0.09 0.00 0.00 57.88 57.71 2gsm h LEU 213 Cb -0.07 -0.10 -0.05 0.00 0.09 0.00 0.00 40.66 40.53 2gsm h LEU 213 CO -0.10 1.30 -1.99 0.59 0.09 0.00 0.00 178.44 178.32 2gsm n ASN 214 N -3.45 1.72 -0.82 -0.43 3.02 -0.46 -4.75 115.26 110.10 2gsm n ASN 214 Ca -0.10 -0.02 0.08 0.00 -0.03 0.00 0.00 54.58 54.51 2gsm n ASN 214 Cb 1.02 0.61 0.23 0.00 -0.61 0.00 0.00 39.78 41.03 2gsm n ASN 214 CO 0.00 0.00 0.00 0.23 -2.62 0.00 0.00 177.26 174.87 2gsm n MET 215 N -2.63 2.91 -1.76 3.52 2.81 -0.30 -4.98 117.12 116.69 2gsm n MET 215 Ca -0.25 -2.61 -0.37 0.00 -1.81 0.00 0.00 57.70 52.65 2gsm n MET 215 Cb 0.94 -1.68 0.06 0.00 -0.71 0.00 0.00 33.22 31.83 2gsm n MET 215 CO 0.00 0.00 0.00 1.03 1.51 0.00 0.00 175.97 178.51 2gsm s ARG 216 N -2.30 2.77 0.55 0.03 0.52 -1.25 -3.93 118.95 115.34 2gsm s ARG 216 Ca 0.37 2.13 -0.19 0.00 -0.52 0.00 0.00 55.73 57.51 2gsm s ARG 216 Cb 0.28 -2.00 -0.06 0.00 0.52 0.00 0.00 34.95 33.69 2gsm s ARG 216 CO 0.11 -1.44 1.10 0.00 0.02 0.00 0.00 175.30 175.09 2gsm s ALA 217 N -1.36 2.71 0.08 2.13 0.00 -0.67 -4.93 121.76 119.72 2gsm s ALA 217 Ca 0.79 0.73 -0.36 0.00 0.00 0.00 0.00 51.96 53.11 2gsm s ALA 217 Cb -0.39 -3.33 -0.16 0.00 0.00 0.00 0.00 23.12 19.25 2gsm s ALA 217 CO 0.43 -0.73 1.40 -2.30 0.00 0.00 0.00 175.76 174.55 2gsm n PRO 218 N -1.39 1.31 0.00 0.00 -0.02 -1.26 -0.96 135.00 132.68 2gsm n PRO 218 Ca 0.11 0.47 0.00 0.00 -2.02 0.00 0.00 63.50 62.06 2gsm n PRO 218 Cb 0.51 -2.14 0.00 0.00 -0.02 0.00 0.00 33.50 31.85 2gsm n PRO 218 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 2gsm n GLY 219 N 2.73 2.95 3.57 -1.23 0.00 -1.26 -4.97 105.19 106.97 2gsm n GLY 219 Ca 0.18 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.91 2gsm n GLY 219 CO 0.00 0.00 0.00 -0.29 0.00 0.00 0.00 173.32 173.03 2gsm s MET 220 N -0.01 2.77 0.52 1.61 0.00 -0.13 -4.94 119.30 119.11 2gsm s MET 220 Ca 0.00 -0.70 -0.08 0.00 0.00 0.00 0.00 55.69 54.91 2gsm s MET 220 Cb 0.00 -5.17 -0.04 0.00 0.00 0.00 0.00 34.83 29.62 2gsm s MET 220 CO 0.00 -3.28 0.87 -0.08 0.00 0.00 0.00 175.02 172.53 2gsm s THR 221 N 9.24 4.82 0.35 10.11 -1.32 -1.26 -4.73 115.64 132.84 2gsm s THR 221 Ca 0.65 0.51 0.16 0.00 -1.21 0.00 0.00 61.69 61.80 2gsm s THR 221 Cb -0.04 -3.85 0.34 0.00 -1.51 0.00 0.00 72.50 67.45 2gsm s THR 221 CO 0.02 -0.91 1.67 -0.03 -2.21 0.00 0.00 174.62 173.16 2gsm h MET 222 N 0.17 0.33 -0.64 7.08 4.05 -1.99 0.34 114.93 124.27 2gsm h MET 222 Ca -0.46 -0.02 0.00 0.00 -0.28 0.00 0.00 59.70 58.94 2gsm h MET 222 Cb 1.20 -0.07 0.00 0.00 -0.80 0.00 0.00 31.60 31.92 2gsm h MET 222 CO 0.62 0.22 0.00 0.72 0.23 0.00 0.00 176.91 178.70 2gsm n HIS 223 N -4.98 1.28 0.35 1.39 8.25 -1.26 -3.55 115.22 116.70 2gsm n HIS 223 Ca 0.31 -0.49 0.04 0.00 -0.26 0.00 0.00 57.72 57.33 2gsm n HIS 223 Cb 0.99 -0.26 -0.06 0.00 1.12 0.00 0.00 29.99 31.79 2gsm n HIS 223 CO 0.00 0.00 0.00 1.63 0.64 0.00 0.00 176.34 178.61 2gsm n LYS 224 N 0.74 3.24 -1.76 -0.41 5.02 0.12 -5.04 118.16 120.07 2gsm n LYS 224 Ca 0.20 -0.02 -0.42 0.00 -2.02 0.00 0.00 58.31 56.06 2gsm n LYS 224 Cb 0.79 -0.99 -0.02 0.00 -0.02 0.00 0.00 35.03 34.78 2gsm n LYS 224 CO 0.00 0.00 0.00 0.08 -0.52 0.00 0.00 177.40 176.96 2gsm s VAL 225 N -2.03 2.07 0.58 -0.18 1.01 -1.14 -4.94 120.40 115.77 2gsm s VAL 225 Ca 0.02 0.05 -0.20 0.00 0.00 0.00 0.00 61.98 61.85 2gsm s VAL 225 Cb 0.07 -3.03 -0.03 0.00 0.00 0.00 0.00 36.38 33.38 2gsm s VAL 225 CO 0.38 0.01 1.32 -2.84 0.00 0.00 0.00 175.10 173.97 2gsm s PRO 226 N 0.28 2.93 0.41 2.72 0.02 -1.26 -4.84 135.00 135.26 2gsm s PRO 226 Ca 0.69 2.14 0.11 0.00 0.02 0.00 0.00 61.00 63.95 2gsm s PRO 226 Cb -0.49 -2.09 0.92 0.00 0.02 0.00 0.00 34.50 32.86 2gsm s PRO 226 CO 0.40 -1.32 1.98 -0.07 -0.33 0.00 0.00 177.00 177.66 2gsm h LEU 227 N 1.11 0.47 -0.70 -5.54 3.38 -1.93 -1.40 115.31 110.71 2gsm h LEU 227 Ca -0.51 0.01 -0.03 0.00 0.09 0.00 0.00 57.88 57.44 2gsm h LEU 227 Cb 1.31 -0.09 -0.03 0.00 0.09 0.00 0.00 40.66 41.94 2gsm h LEU 227 CO 0.56 0.30 0.34 0.15 0.09 0.00 0.00 178.44 179.87 2gsm h PHE 228 N 0.53 1.00 -0.71 1.13 3.57 -1.92 0.17 116.94 120.72 2gsm h PHE 228 Ca 0.28 -0.05 -0.06 0.00 3.53 0.00 0.00 57.97 61.67 2gsm h PHE 228 Cb 0.40 -0.31 -0.03 0.00 2.79 0.00 0.00 35.95 38.80 2gsm h PHE 228 CO -0.00 0.74 0.20 0.00 -2.23 0.00 0.00 178.31 177.03 2gsm h ALA 229 N 1.16 1.03 -0.39 2.41 0.00 -1.64 -2.15 119.26 119.68 2gsm h ALA 229 Ca 0.24 -0.23 -0.00 0.00 0.00 0.00 0.00 54.91 54.92 2gsm h ALA 229 Cb 0.12 -0.27 -0.02 0.00 0.00 0.00 0.00 17.79 17.61 2gsm h ALA 229 CO -0.03 0.65 0.24 -1.49 0.00 0.00 0.00 179.25 178.62 2gsm h TRP 230 N 1.05 0.51 -0.99 0.00 4.06 -1.15 -1.56 115.95 117.88 2gsm h TRP 230 Ca 0.23 0.00 0.04 0.00 2.06 0.00 0.00 58.89 61.22 2gsm h TRP 230 Cb 0.32 -0.17 -0.06 0.00 -1.00 0.00 0.00 29.16 28.25 2gsm h TRP 230 CO 0.02 0.36 0.64 0.66 -3.56 0.00 0.00 178.44 176.57 2gsm h SER 231 N 0.51 1.06 -0.39 -3.49 4.64 -0.59 -0.05 113.55 115.24 2gsm h SER 231 Ca 0.14 -0.01 -0.15 0.00 -0.47 0.00 0.00 61.79 61.30 2gsm h SER 231 Cb -0.01 -0.24 -0.01 0.00 -0.31 0.00 0.00 62.40 61.84 2gsm h SER 231 CO -0.03 0.72 -0.33 0.40 -0.87 0.00 0.00 176.83 176.72 2gsm h ILE 232 N 1.23 1.27 0.55 0.95 2.04 -1.29 -1.56 117.51 120.70 2gsm h ILE 232 Ca 0.40 -1.50 -0.03 0.00 1.00 0.00 0.00 64.86 64.73 2gsm h ILE 232 Cb 0.04 1.35 0.01 0.00 -0.74 0.00 0.00 36.82 37.47 2gsm h ILE 232 CO -0.13 0.50 -0.26 0.15 0.00 0.00 0.00 178.15 178.41 2gsm h PHE 233 N 0.74 -0.68 -0.18 1.37 3.57 -0.56 -0.92 116.94 120.28 2gsm h PHE 233 Ca 0.07 -0.02 0.03 0.00 3.53 0.00 0.00 57.97 61.58 2gsm h PHE 233 Cb 0.92 0.23 -0.03 0.00 2.79 0.00 0.00 35.95 39.86 2gsm h PHE 233 CO 0.06 -0.42 0.00 0.28 -2.23 0.00 0.00 178.31 176.01 2gsm h VAL 234 N -0.74 0.88 -0.80 1.41 2.07 -1.03 -1.99 116.25 116.05 2gsm h VAL 234 Ca -0.08 -0.02 0.18 0.00 0.82 0.00 0.00 66.70 67.60 2gsm h VAL 234 Cb 0.57 0.81 -0.11 0.00 -1.52 0.00 0.00 31.29 31.03 2gsm h VAL 234 CO 0.12 0.01 0.28 0.74 0.02 0.00 0.00 177.57 178.74 2gsm h THR 235 N 0.06 0.53 -0.32 2.57 2.02 -1.23 -0.93 112.91 115.60 2gsm h THR 235 Ca 0.08 -0.12 -0.02 0.00 0.77 0.00 0.00 66.41 67.12 2gsm h THR 235 Cb 0.10 0.14 -0.02 0.00 -1.74 0.00 0.00 68.15 66.64 2gsm h THR 235 CO -0.14 0.06 0.12 0.00 0.37 0.00 0.00 175.52 175.94 2gsm h ALA 236 N 1.64 1.61 -0.32 6.16 0.00 -0.40 -1.65 119.26 126.30 2gsm h ALA 236 Ca 0.47 -0.10 -0.17 0.00 0.00 0.00 0.00 54.91 55.11 2gsm h ALA 236 Cb 0.81 -0.14 -0.00 0.00 0.00 0.00 0.00 17.79 18.46 2gsm h ALA 236 CO -0.50 0.31 -0.48 -1.49 0.00 0.00 0.00 179.25 177.09 2gsm h TRP 237 N 0.46 1.10 -0.70 0.00 4.06 -0.92 -2.80 115.95 117.14 2gsm h TRP 237 Ca 0.11 -0.37 -0.02 0.00 2.06 0.00 0.00 58.89 60.68 2gsm h TRP 237 Cb 0.11 -0.22 -0.03 0.00 -1.00 0.00 0.00 29.16 28.02 2gsm h TRP 237 CO 0.00 1.20 0.37 -0.07 -3.56 0.00 0.00 178.44 176.38 2gsm h LEU 238 N 0.69 0.88 -0.79 -4.49 3.38 -0.92 -2.05 115.31 112.01 2gsm h LEU 238 Ca 0.03 -0.08 -0.08 0.00 0.09 0.00 0.00 57.88 57.85 2gsm h LEU 238 Cb 1.08 -0.22 -0.02 0.00 0.09 0.00 0.00 40.66 41.58 2gsm h LEU 238 CO 0.11 0.73 0.06 0.40 0.09 0.00 0.00 178.44 179.82 2gsm h ILE 239 N 0.99 1.25 -0.34 1.22 2.04 -1.24 -0.48 117.51 120.95 2gsm h ILE 239 Ca 0.25 -1.03 -0.08 0.00 1.00 0.00 0.00 64.86 65.00 2gsm h ILE 239 Cb 0.06 0.75 -0.02 0.00 -0.74 0.00 0.00 36.82 36.87 2gsm h ILE 239 CO -0.04 0.38 -0.13 -0.07 0.00 0.00 0.00 178.15 178.29 2gsm h LEU 240 N 0.90 0.58 0.15 1.44 4.07 -1.11 -1.67 115.31 119.66 2gsm h LEU 240 Ca 0.18 -0.16 -0.24 0.00 0.08 0.00 0.00 57.88 57.74 2gsm h LEU 240 Cb 0.45 -0.15 0.01 0.00 1.08 0.00 0.00 40.66 42.05 2gsm h LEU 240 CO 0.02 0.73 -1.12 0.25 -1.08 0.00 0.00 178.44 177.24 2gsm h LEU 241 N 0.54 0.49 -0.05 1.67 6.46 -1.40 -3.40 115.31 119.62 2gsm h LEU 241 Ca 0.10 -0.91 -0.17 0.00 -0.12 0.00 0.00 57.88 56.77 2gsm h LEU 241 Cb 0.54 -0.16 0.01 0.00 -0.73 0.00 0.00 40.66 40.32 2gsm h LEU 241 CO 0.03 1.52 -0.64 0.00 -0.62 0.00 0.00 178.44 178.73 2gsm h ALA 242 N 0.05 0.14 -0.45 1.25 0.00 -1.04 -3.32 119.26 115.89 2gsm h ALA 242 Ca -0.22 -0.57 -0.15 0.00 0.00 0.00 0.00 54.91 53.98 2gsm h ALA 242 Cb 1.76 0.02 -0.01 0.00 0.00 0.00 0.00 17.79 19.56 2gsm h ALA 242 CO 0.14 0.44 -0.29 -0.07 0.00 0.00 0.00 179.25 179.46 2gsm h LEU 243 N 0.10 1.03 -1.11 0.00 -0.00 -1.52 -2.60 115.31 111.21 2gsm h LEU 243 Ca -0.07 -0.42 0.08 0.00 -0.00 0.00 0.00 57.88 57.47 2gsm h LEU 243 Cb 1.32 -0.29 -0.07 0.00 -0.00 0.00 0.00 40.66 41.63 2gsm h LEU 243 CO 0.13 1.23 0.61 -0.65 -0.00 0.00 0.00 178.44 179.76 2gsm h PRO 244 N 0.83 1.00 -0.64 1.13 0.11 -1.77 -1.17 132.00 131.48 2gsm h PRO 244 Ca 0.09 -0.06 -0.03 0.00 0.11 0.00 0.00 66.00 66.11 2gsm h PRO 244 Cb 0.88 -0.23 -0.03 0.00 0.11 0.00 0.00 31.00 31.73 2gsm h PRO 244 CO 0.08 0.66 0.30 0.28 -0.21 0.00 0.00 178.00 179.11 2gsm h VAL 245 N 1.03 1.22 -0.62 3.15 2.07 -1.59 -2.11 116.25 119.41 2gsm h VAL 245 Ca 0.42 -0.65 -0.03 0.00 0.82 0.00 0.00 66.70 67.26 2gsm h VAL 245 Cb 0.28 0.46 -0.03 0.00 -1.52 0.00 0.00 31.29 30.48 2gsm h VAL 245 CO -0.18 0.26 0.26 0.25 0.02 0.00 0.00 177.57 178.19 2gsm h LEU 246 N 0.89 0.84 -1.09 2.57 5.85 -1.16 -1.63 115.31 121.57 2gsm h LEU 246 Ca 0.22 -0.16 0.09 0.00 0.84 0.00 0.00 57.88 58.87 2gsm h LEU 246 Cb 0.14 -0.22 -0.07 0.00 0.37 0.00 0.00 40.66 40.88 2gsm h LEU 246 CO -0.03 0.77 0.61 0.00 -0.34 0.00 0.00 178.44 179.46 2gsm h ALA 247 N 1.10 1.53 0.31 1.25 0.00 -0.88 -1.30 119.26 121.26 2gsm h ALA 247 Ca 0.21 -0.01 -0.01 0.00 0.00 0.00 0.00 54.91 55.10 2gsm h ALA 247 Cb 0.18 -0.24 0.00 0.00 0.00 0.00 0.00 17.79 17.73 2gsm h ALA 247 CO -0.02 0.29 -0.15 0.78 0.00 0.00 0.00 179.25 180.15 2gsm h GLY 248 N 1.02 -0.43 -0.00 0.00 0.00 -0.86 -1.99 103.07 100.81 2gsm h GLY 248 Ca 0.44 0.16 0.10 0.00 0.00 0.00 0.00 47.33 48.03 2gsm h GLY 248 CO -0.19 -0.16 -0.13 0.00 0.00 0.00 0.00 176.54 176.06 2gsm h ALA 249 N -0.00 0.32 0.00 3.60 0.00 -0.79 -1.91 119.26 120.48 2gsm h ALA 249 Ca -0.04 0.19 -0.08 0.00 0.00 0.00 0.00 54.91 54.99 2gsm h ALA 249 Cb 0.45 0.38 -0.01 0.00 0.00 0.00 0.00 17.79 18.61 2gsm h ALA 249 CO 0.07 -0.44 -0.36 -0.84 0.00 0.00 0.00 179.25 177.68 2gsm h ILE 250 N -0.00 0.63 -0.48 0.00 3.07 -1.31 -2.75 117.51 116.67 2gsm h ILE 250 Ca 0.24 -1.83 -0.10 0.00 1.55 0.00 0.00 64.86 64.72 2gsm h ILE 250 Cb 0.37 2.27 -0.02 0.00 -0.27 0.00 0.00 36.82 39.17 2gsm h ILE 250 CO -0.52 0.35 -0.09 0.74 -1.05 0.00 0.00 178.15 177.59 2gsm h THR 251 N 0.00 1.27 -0.34 0.16 2.02 -0.90 -1.53 112.91 113.58 2gsm h THR 251 Ca -0.00 -1.21 0.00 0.00 0.77 0.00 0.00 66.41 65.97 2gsm h THR 251 Cb 1.24 1.06 -0.02 0.00 -1.74 0.00 0.00 68.15 68.69 2gsm h THR 251 CO 0.05 0.42 0.21 0.24 0.37 0.00 0.00 175.52 176.81 2gsm h MET 252 N 0.77 0.45 -0.40 6.66 2.86 -1.26 0.06 114.93 124.07 2gsm h MET 252 Ca 0.13 -0.03 -0.08 0.00 -2.06 0.00 0.00 59.70 57.66 2gsm h MET 252 Cb 0.63 -0.10 -0.01 0.00 0.06 0.00 0.00 31.60 32.18 2gsm h MET 252 CO 0.04 0.31 -0.07 -0.07 1.06 0.00 0.00 176.91 178.18 2gsm h LEU 253 N 0.46 0.76 -0.80 1.22 3.38 -1.23 -1.90 115.31 117.20 2gsm h LEU 253 Ca 0.12 -0.35 -0.02 0.00 0.09 0.00 0.00 57.88 57.73 2gsm h LEU 253 Cb -0.04 -0.21 -0.04 0.00 0.09 0.00 0.00 40.66 40.47 2gsm h LEU 253 CO -0.03 0.93 0.42 0.25 0.09 0.00 0.00 178.44 180.10 2gsm h LEU 254 N 0.58 1.01 -0.26 1.67 5.85 -0.28 -1.49 115.31 122.39 2gsm h LEU 254 Ca 0.11 -0.11 -0.21 0.00 0.84 0.00 0.00 57.88 58.51 2gsm h LEU 254 Cb 0.58 -0.26 -0.01 0.00 0.37 0.00 0.00 40.66 41.34 2gsm h LEU 254 CO 0.03 0.83 -0.88 0.71 -0.34 0.00 0.00 178.44 178.80 2gsm h THR 255 N 1.11 1.45 -0.91 1.05 1.35 -1.01 -1.19 112.91 114.76 2gsm h THR 255 Ca 0.28 -2.50 0.01 0.00 -0.55 0.00 0.00 66.41 63.65 2gsm h THR 255 Cb 0.06 2.41 -0.05 0.00 -1.73 0.00 0.00 68.15 68.85 2gsm h THR 255 CO -0.04 0.74 0.60 0.44 -0.25 0.00 0.00 175.52 177.01 2gsm h ASP 256 N 0.17 1.04 0.17 5.36 5.19 -1.20 -0.00 116.42 127.14 2gsm h ASP 256 Ca -0.05 -0.02 -0.25 0.00 -0.62 0.00 0.00 57.03 56.08 2gsm h ASP 256 Cb 1.51 -0.25 0.01 0.00 0.18 0.00 0.00 39.33 40.77 2gsm h ASP 256 CO 0.14 0.74 -1.01 0.03 -3.12 0.00 0.00 179.24 176.02 2gsm h ARG 257 N 1.22 0.57 0.00 3.56 3.08 -1.05 -3.42 114.38 118.34 2gsm h ARG 257 Ca 0.34 -0.62 0.00 0.00 0.07 0.00 0.00 59.98 59.77 2gsm h ARG 257 Cb -0.11 0.18 0.00 0.00 0.08 0.00 0.00 29.97 30.12 2gsm h ARG 257 CO -0.08 1.23 -0.92 0.09 -1.07 0.00 0.00 179.97 179.23 2gsm n ASN 258 N -3.80 4.58 -0.73 7.04 3.02 -0.47 -4.84 115.26 120.06 2gsm n ASN 258 Ca -0.09 0.00 0.06 0.00 -0.03 0.00 0.00 54.58 54.52 2gsm n ASN 258 Cb 0.87 0.67 0.17 0.00 -0.61 0.00 0.00 39.78 40.88 2gsm n ASN 258 CO 0.00 0.00 0.00 0.49 -2.62 0.00 0.00 177.26 175.13 2gsm n PHE 259 N -1.64 0.00 -0.89 3.10 3.72 -0.05 -5.01 117.46 116.68 2gsm n PHE 259 Ca 0.00 -1.26 0.00 0.00 -0.05 0.00 0.00 57.45 56.14 2gsm n PHE 259 Cb 0.24 -0.22 0.00 0.00 -0.94 0.00 0.00 39.48 38.56 2gsm n PHE 259 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 176.76 177.12 2gsm n GLY 260 N -0.82 0.71 3.76 1.37 0.00 -0.97 -4.90 105.19 104.32 2gsm n GLY 260 Ca 0.16 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.89 2gsm n GLY 260 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 2gsm s THR 261 N -3.08 1.86 0.00 2.61 -4.23 -1.10 -4.99 115.64 106.72 2gsm s THR 261 Ca 0.00 0.00 0.14 0.00 -1.18 0.00 0.00 61.69 60.65 2gsm s THR 261 Cb 0.00 -2.72 0.24 0.00 1.34 0.00 0.00 72.50 71.36 2gsm s THR 261 CO 0.00 0.00 1.07 0.41 -0.54 0.00 0.00 174.62 175.56 2gsm n THR 262 N -4.13 0.00 -0.21 3.99 -1.04 -1.26 -4.37 114.28 107.25 2gsm n THR 262 Ca 0.11 -0.55 0.07 0.00 -2.04 0.00 0.00 64.05 61.64 2gsm n THR 262 Cb 0.59 0.75 0.33 0.00 -1.82 0.00 0.00 70.33 70.19 2gsm n THR 262 CO 0.00 0.00 0.00 -0.26 -0.64 0.00 0.00 175.07 174.17 2gsm h PHE 263 N 0.55 0.82 0.00 -1.42 0.04 -1.93 -3.05 116.94 111.95 2gsm h PHE 263 Ca -0.29 0.02 0.00 0.00 2.80 0.00 0.00 57.97 60.50 2gsm h PHE 263 Cb 1.66 -0.27 0.00 0.00 2.20 0.00 0.00 35.95 39.54 2gsm h PHE 263 CO 0.04 0.42 -0.03 1.19 -0.60 0.00 0.00 178.31 179.34 2gsm n PHE 264 N -4.49 0.00 -3.93 -0.55 3.72 -1.26 -1.97 117.46 108.98 2gsm n PHE 264 Ca 0.12 -0.69 -0.35 0.00 -0.05 0.00 0.00 57.45 56.48 2gsm n PHE 264 Cb 0.25 -0.10 -0.14 0.00 -0.94 0.00 0.00 39.48 38.55 2gsm n PHE 264 CO 0.00 0.00 0.00 -0.65 -0.05 0.00 0.00 176.76 176.06 2gsm s GLN 265 N -1.82 2.81 0.56 -1.08 -1.52 -1.16 -3.53 119.66 113.92 2gsm s GLN 265 Ca 0.16 -1.00 0.25 0.00 -1.95 0.00 0.00 55.36 52.82 2gsm s GLN 265 Cb 0.14 -3.05 1.49 0.00 -0.22 0.00 0.00 33.01 31.37 2gsm s GLN 265 CO 0.01 -0.43 2.07 -1.35 -0.25 0.00 0.00 175.29 175.35 2gsm h PRO 266 N 8.03 0.00 0.00 2.91 0.11 -1.87 -0.25 132.00 140.93 2gsm h PRO 266 Ca -0.31 0.00 -0.01 0.00 0.11 0.00 0.00 66.00 65.79 2gsm h PRO 266 Cb 1.10 0.00 -0.00 0.00 0.11 0.00 0.00 31.00 32.21 2gsm h PRO 266 CO 0.57 0.00 -0.05 0.66 -0.21 0.00 0.00 178.00 178.97 2gsm h SER 267 N 0.00 0.00 -0.35 -2.05 4.64 -1.95 -2.01 113.55 111.84 2gsm h SER 267 Ca 0.13 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.45 2gsm h SER 267 Cb 0.57 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.66 2gsm h SER 267 CO -0.00 0.05 0.00 0.61 -0.87 0.00 0.00 176.83 176.62 2gsm n GLY 268 N -0.69 3.59 2.08 -0.77 0.00 -0.63 -4.94 105.19 103.83 2gsm n GLY 268 Ca -0.02 -0.90 -0.02 0.00 0.00 0.00 0.00 46.02 45.08 2gsm n GLY 268 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2gsm n GLY 269 N -0.06 0.56 3.96 -0.02 0.00 -0.75 -4.98 105.19 103.90 2gsm n GLY 269 Ca 0.21 -0.86 -0.27 0.00 0.00 0.00 0.00 46.02 45.10 2gsm n GLY 269 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 2gsm s GLY 270 N -2.86 1.76 -0.18 -0.02 0.00 -0.20 -4.94 107.32 100.87 2gsm s GLY 270 Ca 0.00 -1.39 -0.04 0.00 0.00 0.00 0.00 44.72 43.29 2gsm s GLY 270 CO 0.00 -0.75 0.26 -0.35 0.00 0.00 0.00 173.10 172.25 2gsm s ASP 271 N -4.78 0.85 0.38 1.64 2.15 -0.83 -3.69 116.67 112.40 2gsm s ASP 271 Ca 0.69 0.13 0.05 0.00 0.43 0.00 0.00 52.55 53.85 2gsm s ASP 271 Cb -0.05 0.59 0.77 0.00 -0.30 0.00 0.00 42.92 43.92 2gsm s ASP 271 CO 0.48 -0.29 2.03 -0.65 -0.17 0.00 0.00 175.17 176.57 2gsm h PRO 272 N 8.29 0.63 0.00 4.34 0.11 -1.83 -1.96 132.00 141.57 2gsm h PRO 272 Ca -0.16 -0.05 -0.01 0.00 0.11 0.00 0.00 66.00 65.89 2gsm h PRO 272 Cb 1.14 -0.14 -0.00 0.00 0.11 0.00 0.00 31.00 32.11 2gsm h PRO 272 CO 0.23 0.44 -0.04 0.28 -0.21 0.00 0.00 178.00 178.69 2gsm h VAL 273 N 0.64 0.69 -0.77 3.15 2.07 -1.92 -1.85 116.25 118.27 2gsm h VAL 273 Ca 0.17 -0.17 -0.01 0.00 0.82 0.00 0.00 66.70 67.51 2gsm h VAL 273 Cb -0.03 1.10 -0.04 0.00 -1.52 0.00 0.00 31.29 30.80 2gsm h VAL 273 CO -0.03 0.04 0.42 0.25 0.02 0.00 0.00 177.57 178.27 2gsm h LEU 274 N 0.00 0.95 -0.84 2.57 5.85 -1.72 -2.20 115.31 119.92 2gsm h LEU 274 Ca -0.00 -0.09 0.06 0.00 0.84 0.00 0.00 57.88 58.69 2gsm h LEU 274 Cb 0.10 -0.24 -0.06 0.00 0.37 0.00 0.00 40.66 40.82 2gsm h LEU 274 CO 0.01 0.77 0.52 0.22 -0.34 0.00 0.00 178.44 179.62 2gsm h TYR 275 N 1.06 0.96 -0.92 1.25 3.20 -1.44 -2.47 116.97 118.61 2gsm h TYR 275 Ca 0.27 0.03 0.00 0.00 3.14 0.00 0.00 58.73 62.17 2gsm h TYR 275 Cb 0.03 -0.31 -0.05 0.00 1.54 0.00 0.00 36.73 37.94 2gsm h TYR 275 CO -0.00 0.49 0.58 1.96 -1.64 0.00 0.00 178.16 179.55 2gsm h GLN 276 N 0.95 1.24 -0.40 1.82 4.20 -1.40 0.22 115.11 121.73 2gsm h GLN 276 Ca 0.37 -0.09 -0.02 0.00 0.06 0.00 0.00 58.65 58.96 2gsm h GLN 276 Cb 0.17 -0.27 -0.02 0.00 0.30 0.00 0.00 27.48 27.66 2gsm h GLN 276 CO -0.17 0.84 0.17 0.45 -0.67 0.00 0.00 178.83 179.45 2gsm h HIS 277 N 1.26 0.60 -0.13 2.96 3.86 -1.04 -1.00 115.15 121.66 2gsm h HIS 277 Ca 0.33 -0.04 -0.04 0.00 -1.16 0.00 0.00 60.37 59.47 2gsm h HIS 277 Cb -0.10 -0.18 -0.00 0.00 1.06 0.00 0.00 27.41 28.19 2gsm h HIS 277 CO -0.00 0.52 -0.06 0.82 0.86 0.00 0.00 177.93 180.07 2gsm h ILE 278 N 0.51 1.32 -0.17 2.45 1.08 -1.12 -1.77 117.51 119.81 2gsm h ILE 278 Ca 0.14 -1.10 0.01 0.00 -0.39 0.00 0.00 64.86 63.51 2gsm h ILE 278 Cb 0.16 1.77 -0.01 0.00 -3.07 0.00 0.00 36.82 35.68 2gsm h ILE 278 CO -0.01 0.32 0.10 0.25 -0.69 0.00 0.00 178.15 178.11 2gsm h LEU 279 N -0.07 0.16 -1.09 1.44 5.85 -0.58 -2.88 115.31 118.13 2gsm h LEU 279 Ca 0.03 0.00 -0.05 0.00 0.84 0.00 0.00 57.88 58.70 2gsm h LEU 279 Cb 0.53 -0.03 -0.01 0.00 0.37 0.00 0.00 40.66 41.52 2gsm h LEU 279 CO 0.02 0.12 -0.22 -0.50 -0.34 0.00 0.00 178.44 177.51 2gsm h TRP 280 N 0.20 0.00 -0.94 1.25 4.06 -1.20 0.27 115.95 119.59 2gsm h TRP 280 Ca 0.06 0.00 0.13 0.00 2.06 0.00 0.00 58.89 61.15 2gsm h TRP 280 Cb -0.01 0.00 -0.08 0.00 -1.00 0.00 0.00 29.16 28.08 2gsm h TRP 280 CO -0.08 0.22 0.60 0.35 -3.56 0.00 0.00 178.44 175.97 2gsm h PHE 281 N 0.00 0.96 0.20 0.49 3.04 -1.10 -0.78 116.94 119.75 2gsm h PHE 281 Ca -0.00 0.03 -0.28 0.00 3.98 0.00 0.00 57.97 61.70 2gsm h PHE 281 Cb 0.76 -0.30 0.03 0.00 2.56 0.00 0.00 35.95 38.99 2gsm h PHE 281 CO 0.00 0.37 -1.21 0.35 -2.02 0.00 0.00 178.31 175.80 2gsm h PHE 282 N 0.82 0.84 -0.76 0.41 3.04 -1.33 -3.39 116.94 116.56 2gsm h PHE 282 Ca 0.47 -0.60 -0.01 0.00 3.98 0.00 0.00 57.97 61.82 2gsm h PHE 282 Cb 0.62 -0.04 -0.04 0.00 2.56 0.00 0.00 35.95 39.05 2gsm h PHE 282 CO -0.00 1.46 0.46 0.78 -2.02 0.00 0.00 178.31 178.98 2gsm h GLY 283 N -0.02 1.11 0.71 2.40 0.00 0.47 -0.59 103.07 107.16 2gsm h GLY 283 Ca -0.21 -0.47 -0.03 0.00 0.00 0.00 0.00 47.33 46.63 2gsm h GLY 283 CO 0.23 0.45 -0.27 0.84 0.00 0.00 0.00 176.54 177.79 2gsm h HIS 284 N 1.04 -0.69 -1.05 5.60 -0.00 -1.42 -3.25 115.15 115.38 2gsm h HIS 284 Ca 0.27 -0.02 0.32 0.00 -0.00 0.00 0.00 60.37 60.95 2gsm h HIS 284 Cb -0.03 0.23 -0.14 0.00 -0.00 0.00 0.00 27.41 27.47 2gsm h HIS 284 CO -0.01 -0.36 0.62 -1.35 -0.00 0.00 0.00 177.93 176.84 2gsm h PRO 285 N -1.04 0.32 -0.93 5.26 0.11 -1.53 -0.01 132.00 134.18 2gsm h PRO 285 Ca -0.08 -0.02 0.27 0.00 0.11 0.00 0.00 66.00 66.29 2gsm h PRO 285 Cb 0.64 -0.07 -0.16 0.00 0.11 0.00 0.00 31.00 31.52 2gsm h PRO 285 CO 0.12 0.21 0.27 1.49 -0.21 0.00 0.00 178.00 179.89 2gsm h GLU 286 N 0.33 0.15 0.00 1.05 4.57 -1.14 0.67 114.58 120.21 2gsm h GLU 286 Ca 0.72 -0.01 -0.08 0.00 -1.18 0.00 0.00 59.36 58.81 2gsm h GLU 286 Cb 1.73 -0.03 -0.01 0.00 -0.16 0.00 0.00 28.75 30.27 2gsm h GLU 286 CO -0.53 0.10 -0.40 -0.39 -1.18 0.00 0.00 179.01 176.61 2gsm h VAL 287 N 0.16 0.85 0.00 0.32 -1.51 -1.09 -1.59 116.25 113.40 2gsm h VAL 287 Ca 0.62 -1.70 -0.19 0.00 -1.23 0.00 0.00 66.70 64.20 2gsm h VAL 287 Cb 1.34 2.06 -0.03 0.00 -2.13 0.00 0.00 31.29 32.53 2gsm h VAL 287 CO -0.71 0.40 -1.02 1.88 -1.23 0.00 0.00 177.57 176.88 2gsm h TYR 288 N 0.00 0.00 -0.61 5.19 0.05 -1.03 -2.12 116.97 118.45 2gsm h TYR 288 Ca -0.00 0.00 -0.05 0.00 0.05 0.00 0.00 58.73 58.73 2gsm h TYR 288 Cb 1.03 0.00 -0.03 0.00 1.01 0.00 0.00 36.73 38.74 2gsm h TYR 288 CO 0.00 0.83 0.18 0.82 -1.05 0.00 0.00 178.16 178.94 2gsm h ILE 289 N 0.00 1.23 0.22 -2.88 2.04 -0.69 -1.89 117.51 115.54 2gsm h ILE 289 Ca -0.07 -0.82 -0.01 0.00 1.00 0.00 0.00 64.86 64.97 2gsm h ILE 289 Cb 1.69 0.57 0.00 0.00 -0.74 0.00 0.00 36.82 38.35 2gsm h ILE 289 CO 0.10 0.31 -0.10 0.40 0.00 0.00 0.00 178.15 178.86 2gsm h ILE 290 N 0.90 0.85 0.00 -0.67 2.04 -1.25 -3.38 117.51 116.01 2gsm h ILE 290 Ca 0.20 -0.41 -0.10 0.00 1.00 0.00 0.00 64.86 65.55 2gsm h ILE 290 Cb 0.27 1.09 -0.02 0.00 -0.74 0.00 0.00 36.82 37.43 2gsm h ILE 290 CO -0.01 0.09 -0.91 1.62 0.00 0.00 0.00 178.15 178.94 2gsm h VAL 291 N -0.50 0.48 0.00 1.67 3.04 -1.29 -3.39 116.25 116.27 2gsm h VAL 291 Ca -0.03 -1.79 0.01 0.00 -1.01 0.00 0.00 66.70 63.88 2gsm h VAL 291 Cb 0.37 2.06 -0.02 0.00 -2.01 0.00 0.00 31.29 31.69 2gsm h VAL 291 CO 0.05 0.27 -0.07 -0.07 -1.01 0.00 0.00 177.57 176.74 2gsm h LEU 292 N 0.00 -0.21 -2.24 3.16 3.38 -1.52 -0.56 115.31 117.32 2gsm h LEU 292 Ca -0.07 0.03 0.02 0.00 0.09 0.00 0.00 57.88 57.96 2gsm h LEU 292 Cb 1.36 0.09 -0.00 0.00 0.09 0.00 0.00 40.66 42.20 2gsm h LEU 292 CO 0.04 -0.11 0.06 -0.65 0.09 0.00 0.00 178.44 177.87 2gsm h PRO 293 N -0.13 0.00 -0.13 1.13 0.11 -1.79 -0.12 132.00 131.07 2gsm h PRO 293 Ca 0.03 0.00 -0.18 0.00 0.11 0.00 0.00 66.00 65.96 2gsm h PRO 293 Cb 0.17 0.00 -0.00 0.00 0.11 0.00 0.00 31.00 31.27 2gsm h PRO 293 CO -0.07 0.00 -0.67 0.00 -0.21 0.00 0.00 178.00 177.04 2gsm h ALA 294 N 1.94 0.59 -0.64 -0.75 0.00 -1.40 -1.29 119.26 117.71 2gsm h ALA 294 Ca 0.03 -0.57 0.04 0.00 0.00 0.00 0.00 54.91 54.41 2gsm h ALA 294 Cb 0.16 -0.06 -0.05 0.00 0.00 0.00 0.00 17.79 17.84 2gsm h ALA 294 CO -0.00 0.72 0.37 0.74 0.00 0.00 0.00 179.25 181.09 2gsm h PHE 295 N 0.37 0.69 -0.22 0.00 0.04 0.40 -1.43 116.94 116.79 2gsm h PHE 295 Ca -0.02 0.02 0.02 0.00 2.80 0.00 0.00 57.97 60.79 2gsm h PHE 295 Cb 1.24 -0.22 -0.02 0.00 2.20 0.00 0.00 35.95 39.15 2gsm h PHE 295 CO 0.05 0.36 0.09 0.78 -0.60 0.00 0.00 178.31 178.99 2gsm h GLY 296 N 0.71 0.28 1.03 -1.45 0.00 -0.75 -1.96 103.07 100.93 2gsm h GLY 296 Ca 0.27 -0.06 -0.02 0.00 0.00 0.00 0.00 47.33 47.52 2gsm h GLY 296 CO -0.14 0.04 0.43 -2.22 0.00 0.00 0.00 176.54 174.65 2gsm h ILE 297 N 0.20 1.25 -0.77 2.60 2.04 -1.10 -2.76 117.51 118.97 2gsm h ILE 297 Ca 0.10 -0.66 -0.03 0.00 1.00 0.00 0.00 64.86 65.26 2gsm h ILE 297 Cb 0.05 0.15 -0.04 0.00 -0.74 0.00 0.00 36.82 36.25 2gsm h ILE 297 CO -0.09 0.29 0.36 0.58 0.00 0.00 0.00 178.15 179.29 2gsm h VAL 298 N 1.18 1.24 -0.30 1.67 2.07 -0.95 -1.29 116.25 119.87 2gsm h VAL 298 Ca 0.29 -0.70 -0.01 0.00 0.82 0.00 0.00 66.70 67.09 2gsm h VAL 298 Cb 0.07 0.27 -0.01 0.00 -1.52 0.00 0.00 31.29 30.10 2gsm h VAL 298 CO -0.04 0.30 0.13 0.28 0.02 0.00 0.00 177.57 178.25 2gsm h SER 299 N 1.10 0.40 -0.73 0.57 0.02 -1.09 -0.08 113.55 113.73 2gsm h SER 299 Ca 0.26 -0.15 -0.01 0.00 -0.84 0.00 0.00 61.79 61.06 2gsm h SER 299 Cb 0.13 -0.10 -0.04 0.00 0.14 0.00 0.00 62.40 62.53 2gsm h SER 299 CO -0.03 0.44 0.44 0.45 -1.14 0.00 0.00 176.83 176.99 2gsm h HIS 300 N 0.34 0.97 -0.07 3.45 -0.00 -1.30 -2.32 115.15 116.22 2gsm h HIS 300 Ca 0.10 -0.00 -0.05 0.00 -0.00 0.00 0.00 60.37 60.41 2gsm h HIS 300 Cb 0.15 -0.32 0.00 0.00 -0.00 0.00 0.00 27.41 27.24 2gsm h HIS 300 CO -0.01 0.66 -0.16 0.28 -0.00 0.00 0.00 177.93 178.70 2gsm h VAL 301 N 1.00 1.42 -0.68 2.45 2.07 -1.04 -2.16 116.25 119.30 2gsm h VAL 301 Ca 0.26 -1.48 -0.05 0.00 0.82 0.00 0.00 66.70 66.25 2gsm h VAL 301 Cb -0.03 2.21 -0.03 0.00 -1.52 0.00 0.00 31.29 31.93 2gsm h VAL 301 CO -0.05 0.42 0.22 0.40 0.02 0.00 0.00 177.57 178.58 2gsm h ILE 302 N -0.25 1.25 -0.50 4.57 2.04 -1.04 -1.75 117.51 121.83 2gsm h ILE 302 Ca 0.00 -0.86 0.03 0.00 1.00 0.00 0.00 64.86 65.03 2gsm h ILE 302 Cb 0.75 0.52 -0.03 0.00 -0.74 0.00 0.00 36.82 37.32 2gsm h ILE 302 CO 0.04 0.34 0.29 0.00 0.00 0.00 0.00 178.15 178.81 2gsm h ALA 303 N 1.10 0.64 0.22 1.87 0.00 -1.41 0.05 119.26 121.72 2gsm h ALA 303 Ca 0.22 -0.00 -0.01 0.00 0.00 0.00 0.00 54.91 55.12 2gsm h ALA 303 Cb 0.29 -0.13 -0.00 0.00 0.00 0.00 0.00 17.79 17.94 2gsm h ALA 303 CO -0.01 -0.02 -0.14 1.15 0.00 0.00 0.00 179.25 180.24 2gsm h THR 304 N 0.58 0.71 0.00 0.00 2.02 -1.02 -1.83 112.91 113.37 2gsm h THR 304 Ca 0.20 0.00 0.00 0.00 0.77 0.00 0.00 66.41 67.38 2gsm h THR 304 Cb 0.04 0.71 0.00 0.00 -1.74 0.00 0.00 68.15 67.16 2gsm h THR 304 CO -0.10 0.00 -0.59 0.49 0.37 0.00 0.00 175.52 175.69 2gsm n PHE 305 N -5.25 0.28 0.56 3.16 3.72 -0.69 -2.29 117.46 116.95 2gsm n PHE 305 Ca -0.09 0.08 0.12 0.00 -0.05 0.00 0.00 57.45 57.52 2gsm n PHE 305 Cb 0.17 -0.46 0.27 0.00 -0.94 0.00 0.00 39.48 38.52 2gsm n PHE 305 CO 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 176.76 176.71 2gsm h ALA 306 N 2.73 0.79 -5.89 4.37 0.00 -1.01 -0.43 119.26 119.82 2gsm h ALA 306 Ca 0.00 0.00 -0.38 0.00 0.00 0.00 0.00 54.91 54.53 2gsm h ALA 306 Cb 0.63 0.00 0.11 0.00 0.00 0.00 0.00 17.79 18.53 2gsm h ALA 306 CO 0.00 0.00 -0.78 1.63 0.00 0.00 0.00 179.25 180.10 2gsm n LYS 307 N -2.25 -6.13 -3.65 0.00 5.02 -0.74 -0.73 118.16 109.67 2gsm n LYS 307 Ca 0.04 0.75 -0.11 0.00 -2.02 0.00 0.00 58.31 56.97 2gsm n LYS 307 Cb 0.44 -5.60 -0.08 0.00 -0.02 0.00 0.00 35.03 29.77 2gsm n LYS 307 CO 0.00 0.00 0.00 0.21 -0.52 0.00 0.00 177.40 177.09 2gsm s LYS 308 N -5.82 0.69 0.68 1.97 2.20 -0.88 -4.70 119.74 113.87 2gsm s LYS 308 Ca 0.14 1.01 -0.17 0.00 -0.36 0.00 0.00 55.97 56.60 2gsm s LYS 308 Cb -0.07 0.23 0.01 0.00 -1.51 0.00 0.00 37.83 36.49 2gsm s LYS 308 CO 0.77 -0.12 1.23 -2.14 -0.36 0.00 0.00 175.35 174.73 2gsm s PRO 309 N 0.99 2.44 0.27 4.03 0.02 -1.26 -4.45 135.00 137.04 2gsm s PRO 309 Ca -0.05 1.87 -0.31 0.00 0.02 0.00 0.00 61.00 62.53 2gsm s PRO 309 Cb -0.05 -1.86 -0.12 0.00 0.02 0.00 0.00 34.50 32.50 2gsm s PRO 309 CO -0.09 -1.63 1.63 -1.50 -0.33 0.00 0.00 177.00 175.08 2gsm s ILE 310 N -1.72 2.05 0.20 2.83 1.10 -1.26 -4.87 121.20 119.54 2gsm s ILE 310 Ca 0.78 0.04 -0.30 0.00 -0.51 0.00 0.00 60.65 60.66 2gsm s ILE 310 Cb -0.32 -3.03 -0.08 0.00 0.15 0.00 0.00 42.46 39.18 2gsm s ILE 310 CO 0.41 0.01 1.22 0.12 -2.11 0.00 0.00 174.94 174.59 2gsm s PHE 311 N 0.35 3.38 -1.18 3.50 2.19 -1.26 -4.11 117.98 120.86 2gsm s PHE 311 Ca 0.67 1.39 -0.05 0.00 0.33 0.00 0.00 56.93 59.26 2gsm s PHE 311 Cb -0.48 -3.47 -0.02 0.00 -1.31 0.00 0.00 43.02 37.73 2gsm s PHE 311 CO 0.43 -1.35 0.85 0.41 1.83 0.00 0.00 175.22 177.39 2gsm n GLY 312 N 2.14 -0.69 0.34 13.12 0.00 -1.26 -4.81 105.19 114.03 2gsm n GLY 312 Ca 0.04 0.32 -0.01 0.00 0.00 0.00 0.00 46.02 46.37 2gsm n GLY 312 CO 0.00 0.00 0.00 -1.82 0.00 0.00 0.00 173.32 171.50 2gsm h TYR 313 N -1.64 -0.78 0.15 1.61 5.03 -1.99 -0.89 116.97 118.46 2gsm h TYR 313 Ca -0.61 0.08 -0.01 0.00 2.58 0.00 0.00 58.73 60.77 2gsm h TYR 313 Cb 1.34 0.46 0.00 0.00 1.55 0.00 0.00 36.73 40.08 2gsm h TYR 313 CO 0.39 -0.38 -0.07 1.25 -1.32 0.00 0.00 178.16 178.03 2gsm h LEU 314 N -0.06 -0.18 -1.81 2.82 5.85 -1.96 -2.22 115.31 117.74 2gsm h LEU 314 Ca 0.32 -0.11 0.14 0.00 0.84 0.00 0.00 57.88 59.08 2gsm h LEU 314 Cb 0.58 0.05 -0.03 0.00 0.37 0.00 0.00 40.66 41.62 2gsm h LEU 314 CO -0.82 0.00 0.42 -0.65 -0.34 0.00 0.00 178.44 177.06 2gsm h PRO 315 N -0.35 0.19 -0.36 5.25 0.11 -1.88 -1.55 132.00 133.41 2gsm h PRO 315 Ca -0.02 -0.01 -0.02 0.00 0.11 0.00 0.00 66.00 66.06 2gsm h PRO 315 Cb 0.27 -0.04 -0.02 0.00 0.11 0.00 0.00 31.00 31.33 2gsm h PRO 315 CO 0.03 0.12 0.15 0.52 -0.21 0.00 0.00 178.00 178.62 2gsm h MET 316 N 0.19 0.53 -0.09 1.05 2.86 -0.67 0.13 114.93 118.94 2gsm h MET 316 Ca 0.29 -0.09 -0.01 0.00 -2.06 0.00 0.00 59.70 57.84 2gsm h MET 316 Cb 0.90 -0.09 -0.00 0.00 0.06 0.00 0.00 31.60 32.46 2gsm h MET 316 CO -0.05 0.51 0.03 0.28 1.06 0.00 0.00 176.91 178.74 2gsm h VAL 317 N 0.44 1.16 0.00 -2.22 2.07 -0.94 -2.55 116.25 114.20 2gsm h VAL 317 Ca 0.12 -0.47 -0.09 0.00 0.82 0.00 0.00 66.70 67.07 2gsm h VAL 317 Cb 0.17 1.32 -0.01 0.00 -1.52 0.00 0.00 31.29 31.24 2gsm h VAL 317 CO -0.01 0.14 -0.45 1.88 0.02 0.00 0.00 177.57 179.15 2gsm h TYR 318 N -0.04 0.00 -0.53 1.57 0.05 -1.22 -1.36 116.97 115.43 2gsm h TYR 318 Ca 0.03 0.00 -0.11 0.00 0.05 0.00 0.00 58.73 58.70 2gsm h TYR 318 Cb 0.19 0.00 -0.02 0.00 1.01 0.00 0.00 36.73 37.91 2gsm h TYR 318 CO -0.01 0.45 -0.08 0.00 -1.05 0.00 0.00 178.16 177.46 2gsm h ALA 319 N 1.55 0.84 -0.51 3.88 0.00 -0.69 -1.22 119.26 123.12 2gsm h ALA 319 Ca -0.00 -0.34 -0.09 0.00 0.00 0.00 0.00 54.91 54.48 2gsm h ALA 319 Cb 0.86 -0.20 -0.02 0.00 0.00 0.00 0.00 17.79 18.43 2gsm h ALA 319 CO 0.06 0.66 -0.04 0.52 0.00 0.00 0.00 179.25 180.45 2gsm h MET 320 N 0.88 0.88 -0.36 0.00 2.86 -0.96 -0.73 114.93 117.51 2gsm h MET 320 Ca 0.14 -0.27 -0.06 0.00 -2.06 0.00 0.00 59.70 57.46 2gsm h MET 320 Cb 0.63 -0.09 -0.01 0.00 0.06 0.00 0.00 31.60 32.19 2gsm h MET 320 CO 0.04 0.90 0.00 0.28 1.06 0.00 0.00 176.91 179.20 2gsm h VAL 321 N 0.81 1.26 -0.33 -2.22 2.07 -1.14 -1.76 116.25 114.94 2gsm h VAL 321 Ca 0.15 -0.97 -0.01 0.00 0.82 0.00 0.00 66.70 66.68 2gsm h VAL 321 Cb 0.53 1.19 -0.02 0.00 -1.52 0.00 0.00 31.29 31.47 2gsm h VAL 321 CO 0.03 0.32 0.15 0.00 0.02 0.00 0.00 177.57 178.10 2gsm h ALA 322 N 0.87 0.43 -0.37 1.67 0.00 -1.11 -0.51 119.26 120.24 2gsm h ALA 322 Ca 0.10 -0.11 0.05 0.00 0.00 0.00 0.00 54.91 54.95 2gsm h ALA 322 Cb 0.45 -0.13 -0.04 0.00 0.00 0.00 0.00 17.79 18.07 2gsm h ALA 322 CO 0.02 0.00 0.10 0.82 0.00 0.00 0.00 179.25 180.19 2gsm h ILE 323 N 0.40 0.86 -0.42 0.00 1.08 -1.10 0.40 117.51 118.73 2gsm h ILE 323 Ca 0.11 -0.08 0.02 0.00 -0.39 0.00 0.00 64.86 64.52 2gsm h ILE 323 Cb 0.14 0.59 -0.03 0.00 -3.07 0.00 0.00 36.82 34.45 2gsm h ILE 323 CO -0.01 0.04 0.25 1.23 -0.69 0.00 0.00 178.15 178.97 2gsm h GLY 324 N 0.24 0.58 0.56 5.37 0.00 -0.98 -0.19 103.07 108.66 2gsm h GLY 324 Ca 0.17 -0.19 -0.00 0.00 0.00 0.00 0.00 47.33 47.31 2gsm h GLY 324 CO -0.20 0.17 -0.03 -2.08 0.00 0.00 0.00 176.54 174.40 2gsm h VAL 325 N 0.50 1.21 -0.46 4.60 2.07 -0.84 -3.02 116.25 120.31 2gsm h VAL 325 Ca 0.17 -0.98 0.09 0.00 0.82 0.00 0.00 66.70 66.80 2gsm h VAL 325 Cb 0.00 1.84 -0.03 0.00 -1.52 0.00 0.00 31.29 31.59 2gsm h VAL 325 CO -0.07 0.24 0.32 -0.07 0.02 0.00 0.00 177.57 178.01 2gsm h LEU 326 N -0.52 0.23 0.00 2.57 3.38 -0.88 -1.68 115.31 118.41 2gsm h LEU 326 Ca -0.01 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.97 2gsm h LEU 326 Cb 0.46 -0.05 0.00 0.00 0.09 0.00 0.00 40.66 41.16 2gsm h LEU 326 CO 0.01 0.14 0.00 0.61 0.09 0.00 0.00 178.44 179.30 2gsm n GLY 327 N -1.55 -0.53 0.70 0.83 0.00 -0.09 -1.82 105.19 102.74 2gsm n GLY 327 Ca 0.07 -0.01 0.11 0.00 0.00 0.00 0.00 46.02 46.19 2gsm n GLY 327 CO 0.00 0.00 0.00 0.69 0.00 0.00 0.00 173.32 174.01 2gsm n PHE 328 N -1.41 0.00 -1.59 1.61 3.72 -0.63 -3.46 117.46 115.70 2gsm n PHE 328 Ca 0.01 0.00 0.06 0.00 -0.05 0.00 0.00 57.45 57.48 2gsm n PHE 328 Cb 0.03 0.00 0.14 0.00 -0.94 0.00 0.00 39.48 38.72 2gsm n PHE 328 CO 0.00 0.00 0.00 1.33 -0.05 0.00 0.00 176.76 178.04 2gsm n VAL 329 N 0.60 1.60 -0.48 -4.37 0.24 -0.76 -4.72 118.33 110.45 2gsm n VAL 329 Ca 0.11 -2.32 0.00 0.00 -2.04 0.00 0.00 64.34 60.09 2gsm n VAL 329 Cb 0.52 -0.00 0.00 0.00 -1.47 0.00 0.00 33.84 32.89 2gsm n VAL 329 CO 0.00 0.00 0.00 1.33 -2.14 0.00 0.00 176.83 176.02 2gsm n VAL 330 N -0.90 0.20 -0.00 3.34 0.24 -1.25 -4.82 118.33 115.14 2gsm n VAL 330 Ca 0.14 -0.36 0.14 0.00 -2.04 0.00 0.00 64.34 62.23 2gsm n VAL 330 Cb 0.74 1.20 0.59 0.00 -1.47 0.00 0.00 33.84 34.90 2gsm n VAL 330 CO 0.00 0.00 0.00 4.11 -2.14 0.00 0.00 176.83 178.80 2gsm h TRP 331 N 0.00 0.21 0.00 6.34 0.09 -1.84 -2.32 115.95 118.43 2gsm h TRP 331 Ca 0.00 0.01 0.00 0.00 0.09 0.00 0.00 58.89 58.99 2gsm h TRP 331 Cb 0.43 -0.07 0.00 0.00 0.08 0.00 0.00 29.16 29.60 2gsm h TRP 331 CO 0.00 0.10 0.00 0.00 0.09 0.00 0.00 178.44 178.63 2gsm n ALA 332 N -2.57 2.53 0.32 0.11 0.00 -1.26 -2.21 120.51 117.43 2gsm n ALA 332 Ca 0.08 -0.14 0.04 0.00 0.00 0.00 0.00 53.44 53.41 2gsm n ALA 332 Cb 0.41 -1.37 0.18 0.00 0.00 0.00 0.00 19.45 18.67 2gsm n ALA 332 CO 0.00 0.00 0.00 -2.39 0.00 0.00 0.00 177.50 175.11 2gsm n HIS 333 N -0.89 0.00 0.64 0.00 1.44 -0.87 -1.04 115.22 114.50 2gsm n HIS 333 Ca 0.17 0.00 0.10 0.00 -2.01 0.00 0.00 57.72 55.98 2gsm n HIS 333 Cb 0.08 -0.37 0.27 0.00 0.12 0.00 0.00 29.99 30.09 2gsm n HIS 333 CO 0.00 0.00 0.00 0.72 -2.81 0.00 0.00 176.34 174.25 2gsm n HIS 334 N -1.37 0.49 -1.99 -1.40 8.25 -0.94 -4.37 115.22 113.89 2gsm n HIS 334 Ca 0.03 -0.24 0.00 0.00 -0.26 0.00 0.00 57.72 57.25 2gsm n HIS 334 Cb 0.07 0.00 0.00 0.00 1.12 0.00 0.00 29.99 31.18 2gsm n HIS 334 CO 0.00 0.00 0.00 -1.33 0.64 0.00 0.00 176.34 175.65 2gsm n MET 335 N 0.89 0.02 0.15 -0.41 2.00 -0.20 -4.89 117.12 114.66 2gsm n MET 335 Ca 0.17 -1.02 0.14 0.00 0.00 0.00 0.00 57.70 56.98 2gsm n MET 335 Cb 0.43 -0.51 0.67 0.00 0.00 0.00 0.00 33.22 33.82 2gsm n MET 335 CO 0.00 0.00 0.00 1.88 0.00 0.00 0.00 175.97 177.85 2gsm h TYR 336 N 0.00 0.00 -0.61 2.03 0.05 -1.75 -2.01 116.97 114.68 2gsm h TYR 336 Ca -0.00 0.00 0.00 0.00 0.05 0.00 0.00 58.73 58.78 2gsm h TYR 336 Cb 1.40 0.00 0.00 0.00 1.01 0.00 0.00 36.73 39.14 2gsm h TYR 336 CO 0.10 0.00 0.00 0.25 -1.05 0.00 0.00 178.16 177.46 2gsm n THR 337 N -4.44 0.99 0.59 -2.88 -2.24 -1.26 -4.51 114.28 100.53 2gsm n THR 337 Ca 0.03 -0.99 0.11 0.00 -2.27 0.00 0.00 64.05 60.92 2gsm n THR 337 Cb 0.32 0.51 0.27 0.00 -2.10 0.00 0.00 70.33 69.32 2gsm n THR 337 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 2gsm n ALA 338 N 1.30 2.45 0.00 6.98 0.00 -0.76 -4.90 120.51 125.58 2gsm n ALA 338 Ca 0.20 -0.84 0.00 0.00 0.00 0.00 0.00 53.44 52.80 2gsm n ALA 338 Cb 0.56 -0.95 0.00 0.00 0.00 0.00 0.00 19.45 19.06 2gsm n ALA 338 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 2gsm n GLY 339 N 1.37 1.61 3.75 0.00 0.00 -1.26 -5.00 105.19 105.67 2gsm n GLY 339 Ca 0.18 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.80 2gsm n GLY 339 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 2gsm s LEU 340 N 0.00 4.57 0.86 0.99 1.43 -1.26 -5.02 118.68 120.24 2gsm s LEU 340 Ca 0.00 2.13 -0.12 0.00 -1.03 0.00 0.00 54.13 55.12 2gsm s LEU 340 Cb 0.00 -3.62 0.11 0.00 0.03 0.00 0.00 46.19 42.72 2gsm s LEU 340 CO 0.00 -0.07 1.18 -0.94 0.23 0.00 0.00 176.35 176.75 2gsm s SER 341 N -0.78 3.26 0.37 2.29 1.04 -1.26 -4.76 113.70 113.86 2gsm s SER 341 Ca 0.45 2.30 0.05 0.00 0.48 0.00 0.00 55.95 59.22 2gsm s SER 341 Cb -0.30 -2.58 0.74 0.00 0.10 0.00 0.00 66.02 63.98 2gsm s SER 341 CO 0.37 -2.88 1.99 0.25 0.98 0.00 0.00 173.24 173.95 2gsm h LEU 342 N -1.35 0.65 0.03 2.42 5.85 -1.99 -1.02 115.31 119.91 2gsm h LEU 342 Ca -0.45 -0.01 -0.00 0.00 0.84 0.00 0.00 57.88 58.26 2gsm h LEU 342 Cb 1.28 -0.15 0.00 0.00 0.37 0.00 0.00 40.66 42.17 2gsm h LEU 342 CO 0.44 0.44 -0.02 0.74 -0.34 0.00 0.00 178.44 179.70 2gsm h THR 343 N 0.75 1.15 -0.46 1.05 2.02 -1.99 -0.15 112.91 115.28 2gsm h THR 343 Ca 0.26 -0.56 0.06 0.00 0.77 0.00 0.00 66.41 66.95 2gsm h THR 343 Cb 0.11 1.52 -0.05 0.00 -1.74 0.00 0.00 68.15 67.99 2gsm h THR 343 CO -0.08 0.14 0.14 1.56 0.37 0.00 0.00 175.52 177.66 2gsm h GLN 344 N -0.29 0.29 -0.66 6.66 4.20 -1.85 -1.14 115.11 122.34 2gsm h GLN 344 Ca -0.00 -0.02 0.02 0.00 0.06 0.00 0.00 58.65 58.71 2gsm h GLN 344 Cb 0.27 -0.07 -0.04 0.00 0.30 0.00 0.00 27.48 27.94 2gsm h GLN 344 CO 0.01 0.19 0.42 1.96 -0.67 0.00 0.00 178.83 180.74 2gsm h GLN 345 N 0.30 0.82 -0.52 1.46 4.20 -1.06 -1.20 115.11 119.11 2gsm h GLN 345 Ca 0.22 -0.05 -0.07 0.00 0.06 0.00 0.00 58.65 58.81 2gsm h GLN 345 Cb 0.24 -0.18 -0.02 0.00 0.30 0.00 0.00 27.48 27.81 2gsm h GLN 345 CO -0.24 0.54 0.06 0.77 -0.67 0.00 0.00 178.83 179.29 2gsm h SER 346 N 0.84 0.85 0.21 1.46 0.02 -0.75 -2.26 113.55 113.92 2gsm h SER 346 Ca 0.25 -0.27 -0.01 0.00 -0.84 0.00 0.00 61.79 60.92 2gsm h SER 346 Cb -0.04 -0.23 0.00 0.00 0.14 0.00 0.00 62.40 62.28 2gsm h SER 346 CO -0.08 0.91 -0.10 0.22 -1.14 0.00 0.00 176.83 176.64 2gsm h TYR 347 N 0.76 -0.26 -0.09 3.45 3.20 -0.83 -2.62 116.97 120.58 2gsm h TYR 347 Ca 0.16 -0.01 -0.05 0.00 3.14 0.00 0.00 58.73 61.97 2gsm h TYR 347 Cb 0.44 0.09 -0.01 0.00 1.54 0.00 0.00 36.73 38.79 2gsm h TYR 347 CO 0.03 -0.01 -0.18 0.74 -1.64 0.00 0.00 178.16 177.10 2gsm h PHE 348 N -0.49 0.15 -0.15 -3.82 0.04 -1.23 -0.09 116.94 111.35 2gsm h PHE 348 Ca -0.03 -0.02 -0.01 0.00 2.80 0.00 0.00 57.97 60.72 2gsm h PHE 348 Cb 0.37 -0.04 -0.01 0.00 2.20 0.00 0.00 35.95 38.47 2gsm h PHE 348 CO -0.00 0.33 0.07 1.98 -0.60 0.00 0.00 178.31 180.08 2gsm h MET 349 N 0.14 0.22 -0.11 1.51 1.85 -1.39 -1.29 114.93 115.86 2gsm h MET 349 Ca 0.03 -0.04 -0.04 0.00 -0.61 0.00 0.00 59.70 59.04 2gsm h MET 349 Cb 0.41 -0.04 -0.00 0.00 0.43 0.00 0.00 31.60 32.40 2gsm h MET 349 CO 0.03 0.28 -0.08 0.52 -0.40 0.00 0.00 176.91 177.26 2gsm h MET 350 N 0.10 0.24 -0.53 0.39 2.86 -0.96 -2.38 114.93 114.66 2gsm h MET 350 Ca 0.05 -0.12 0.10 0.00 -2.06 0.00 0.00 59.70 57.67 2gsm h MET 350 Cb 0.14 -0.00 -0.08 0.00 0.06 0.00 0.00 31.60 31.72 2gsm h MET 350 CO -0.01 0.62 0.04 0.00 1.06 0.00 0.00 176.91 178.63 2gsm h ALA 351 N 0.61 0.54 -0.38 6.32 0.00 -1.10 -2.68 119.26 122.57 2gsm h ALA 351 Ca 0.02 0.14 0.02 0.00 0.00 0.00 0.00 54.91 55.10 2gsm h ALA 351 Cb 0.56 0.23 -0.03 0.00 0.00 0.00 0.00 17.79 18.55 2gsm h ALA 351 CO 0.02 -0.36 0.20 1.15 0.00 0.00 0.00 179.25 180.26 2gsm h THR 352 N 0.16 1.00 -0.75 0.00 2.02 -1.21 -2.78 112.91 111.34 2gsm h THR 352 Ca 0.27 -0.14 0.16 0.00 0.77 0.00 0.00 66.41 67.47 2gsm h THR 352 Cb 0.40 0.55 -0.05 0.00 -1.74 0.00 0.00 68.15 67.32 2gsm h THR 352 CO -0.41 0.07 0.51 0.24 0.37 0.00 0.00 175.52 176.30 2gsm h MET 353 N 0.41 0.32 -0.64 6.66 2.86 -1.09 -2.05 114.93 121.40 2gsm h MET 353 Ca 0.16 -0.02 0.03 0.00 -2.06 0.00 0.00 59.70 57.81 2gsm h MET 353 Cb 0.05 -0.07 -0.03 0.00 0.06 0.00 0.00 31.60 31.60 2gsm h MET 353 CO -0.10 0.21 0.42 0.28 1.06 0.00 0.00 176.91 178.79 2gsm h VAL 354 N 0.33 1.11 -0.82 -2.22 2.07 -1.34 -2.16 116.25 113.23 2gsm h VAL 354 Ca 0.37 -0.27 0.22 0.00 0.82 0.00 0.00 66.70 67.84 2gsm h VAL 354 Cb 0.96 0.25 -0.04 0.00 -1.52 0.00 0.00 31.29 30.95 2gsm h VAL 354 CO -0.10 0.14 0.57 0.40 0.02 0.00 0.00 177.57 178.60 2gsm h ILE 355 N 0.78 0.63 -0.09 4.57 2.04 -1.48 -0.70 117.51 123.26 2gsm h ILE 355 Ca 0.25 -0.04 0.03 0.00 1.00 0.00 0.00 64.86 66.09 2gsm h ILE 355 Cb 0.03 0.50 -0.00 0.00 -0.74 0.00 0.00 36.82 36.61 2gsm h ILE 355 CO -0.07 0.02 0.09 0.00 0.00 0.00 0.00 178.15 178.20 2gsm h ALA 356 N 1.61 1.74 0.42 1.87 0.00 -1.56 -2.95 119.26 120.39 2gsm h ALA 356 Ca 0.40 -0.00 -0.02 0.00 0.00 0.00 0.00 54.91 55.29 2gsm h ALA 356 Cb 1.39 0.01 0.00 0.00 0.00 0.00 0.00 17.79 19.19 2gsm h ALA 356 CO -0.05 -0.13 -0.20 0.28 0.00 0.00 0.00 179.25 179.14 2gsm h VAL 357 N 0.00 0.06 -0.46 0.00 2.07 -1.31 0.23 116.25 116.83 2gsm h VAL 357 Ca 0.04 -0.60 -0.00 0.00 0.82 0.00 0.00 66.70 66.96 2gsm h VAL 357 Cb 0.22 0.09 -0.02 0.00 -1.52 0.00 0.00 31.29 30.06 2gsm h VAL 357 CO -0.00 0.01 0.28 1.55 0.02 0.00 0.00 177.57 179.43 2gsm h PRO 358 N -1.14 0.62 -0.35 1.57 0.13 -1.73 -1.15 132.00 129.96 2gsm h PRO 358 Ca -0.06 -0.05 -0.04 0.00 -0.87 0.00 0.00 66.00 64.98 2gsm h PRO 358 Cb 0.46 -0.13 -0.01 0.00 0.13 0.00 0.00 31.00 31.44 2gsm h PRO 358 CO 0.10 0.43 0.06 1.15 -0.23 0.00 0.00 178.00 179.51 2gsm h THR 359 N 0.63 1.23 -0.90 1.56 2.02 -1.54 -2.50 112.91 113.41 2gsm h THR 359 Ca 0.17 -0.82 0.07 0.00 0.77 0.00 0.00 66.41 66.60 2gsm h THR 359 Cb -0.02 1.10 -0.06 0.00 -1.74 0.00 0.00 68.15 67.43 2gsm h THR 359 CO -0.03 0.27 0.59 1.23 0.37 0.00 0.00 175.52 177.95 2gsm h GLY 360 N 0.41 1.32 0.96 2.16 0.00 -0.06 -1.96 103.07 105.89 2gsm h GLY 360 Ca 0.11 -0.41 0.02 0.00 0.00 0.00 0.00 47.33 47.05 2gsm h GLY 360 CO 0.01 0.28 0.56 -2.22 0.00 0.00 0.00 176.54 175.17 2gsm h ILE 361 N 1.00 1.19 -0.45 2.60 2.04 -0.89 -1.78 117.51 121.22 2gsm h ILE 361 Ca 0.40 -0.39 -0.09 0.00 1.00 0.00 0.00 64.86 65.78 2gsm h ILE 361 Cb 0.24 -0.04 -0.01 0.00 -0.74 0.00 0.00 36.82 36.27 2gsm h ILE 361 CO -0.15 0.21 -0.08 0.11 0.00 0.00 0.00 178.15 178.23 2gsm h LYS 362 N 1.13 0.85 -0.56 2.37 1.57 -0.96 -1.77 116.57 119.20 2gsm h LYS 362 Ca 0.33 -0.31 -0.04 0.00 -1.87 0.00 0.00 60.65 58.76 2gsm h LYS 362 Cb -0.08 -0.06 -0.02 0.00 0.08 0.00 0.00 32.23 32.15 2gsm h LYS 362 CO -0.09 0.94 0.20 0.82 -0.57 0.00 0.00 179.45 180.76 2gsm h ILE 363 N 0.69 1.23 -0.21 1.86 5.03 -1.23 -1.81 117.51 123.07 2gsm h ILE 363 Ca 0.12 -0.73 -0.15 0.00 -0.12 0.00 0.00 64.86 63.98 2gsm h ILE 363 Cb 0.61 0.66 -0.01 0.00 -3.03 0.00 0.00 36.82 35.06 2gsm h ILE 363 CO 0.04 0.28 -0.49 -0.26 -0.68 0.00 0.00 178.15 177.04 2gsm h PHE 364 N 0.77 0.69 -0.10 1.37 0.04 -1.32 -2.29 116.94 116.10 2gsm h PHE 364 Ca 0.18 -0.23 -0.08 0.00 2.80 0.00 0.00 57.97 60.65 2gsm h PHE 364 Cb 0.23 -0.14 -0.01 0.00 2.20 0.00 0.00 35.95 38.23 2gsm h PHE 364 CO 0.01 0.94 -0.29 0.77 -0.60 0.00 0.00 178.31 179.14 2gsm h SER 365 N 0.45 0.17 -0.13 2.17 0.02 -1.22 0.34 113.55 115.36 2gsm h SER 365 Ca 0.02 -0.05 -0.06 0.00 -0.84 0.00 0.00 61.79 60.86 2gsm h SER 365 Cb 1.01 -0.05 -0.00 0.00 0.14 0.00 0.00 62.40 63.51 2gsm h SER 365 CO 0.09 0.47 -0.14 -0.50 -1.14 0.00 0.00 176.83 175.61 2gsm h TRP 366 N 0.16 0.39 -0.63 3.45 6.55 -1.14 -0.39 115.95 124.33 2gsm h TRP 366 Ca 0.02 -0.12 0.01 0.00 0.95 0.00 0.00 58.89 59.75 2gsm h TRP 366 Cb 0.60 -0.08 -0.03 0.00 -0.86 0.00 0.00 29.16 28.79 2gsm h TRP 366 CO 0.01 0.74 0.42 0.82 -1.05 0.00 0.00 178.44 179.38 2gsm h ILE 367 N -0.07 1.16 0.00 1.49 2.04 -1.20 -2.53 117.51 118.40 2gsm h ILE 367 Ca 0.02 -0.30 -0.03 0.00 1.00 0.00 0.00 64.86 65.55 2gsm h ILE 367 Cb 0.68 0.23 -0.00 0.00 -0.74 0.00 0.00 36.82 36.98 2gsm h ILE 367 CO 0.03 0.16 -0.14 0.00 0.00 0.00 0.00 178.15 178.21 2gsm h ALA 368 N 1.23 1.57 -0.49 1.87 0.00 -0.24 -0.98 119.26 122.22 2gsm h ALA 368 Ca 0.23 -0.12 -0.09 0.00 0.00 0.00 0.00 54.91 54.93 2gsm h ALA 368 Cb -0.10 -0.02 -0.02 0.00 0.00 0.00 0.00 17.79 17.65 2gsm h ALA 368 CO -0.05 0.17 -0.05 1.15 0.00 0.00 0.00 179.25 180.47 2gsm h THR 369 N 0.00 1.27 -0.27 0.00 2.02 -0.65 -3.06 112.91 112.22 2gsm h THR 369 Ca -0.00 -1.15 -0.14 0.00 0.77 0.00 0.00 66.41 65.89 2gsm h THR 369 Cb 0.28 1.03 -0.01 0.00 -1.74 0.00 0.00 68.15 67.71 2gsm h THR 369 CO 0.02 0.40 -0.40 0.24 0.37 0.00 0.00 175.52 176.15 2gsm h MET 370 N 0.75 0.63 -6.49 6.66 2.07 -1.05 -3.41 114.93 114.08 2gsm h MET 370 Ca 0.13 -0.32 -0.57 0.00 -2.07 0.00 0.00 59.70 56.87 2gsm h MET 370 Cb 0.58 0.01 0.05 0.00 -1.87 0.00 0.00 31.60 30.37 2gsm h MET 370 CO 0.03 0.92 0.94 1.87 1.07 0.00 0.00 176.91 181.74 2gsm n TRP 371 N -4.03 2.42 -1.00 -0.22 -0.00 -0.45 -1.16 117.44 113.00 2gsm n TRP 371 Ca -0.02 0.11 0.00 0.00 -0.00 0.00 0.00 57.50 57.59 2gsm n TRP 371 Cb 0.52 -2.62 0.00 0.00 -0.00 0.00 0.00 31.31 29.21 2gsm n TRP 371 CO 0.00 0.00 0.00 0.41 -0.00 0.00 0.00 177.69 178.10 2gsm n GLY 372 N 3.82 0.39 0.00 5.87 0.00 -1.26 -4.97 105.19 109.04 2gsm n GLY 372 Ca 0.18 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.20 2gsm n GLY 372 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2gsm n GLY 373 N -2.06 0.48 2.80 -0.02 0.00 -0.31 -5.06 105.19 101.02 2gsm n GLY 373 Ca 0.00 -1.90 -0.29 0.00 0.00 0.00 0.00 46.02 43.83 2gsm n GLY 373 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 2gsm s SER 374 N -1.00 3.91 -0.07 1.61 0.15 0.09 -5.05 113.70 113.34 2gsm s SER 374 Ca 0.00 -2.94 -0.30 0.00 0.70 0.00 0.00 55.95 53.41 2gsm s SER 374 Cb 0.00 -1.28 -0.03 0.00 -1.71 0.00 0.00 66.02 63.00 2gsm s SER 374 CO 0.00 -0.23 1.12 -0.63 1.20 0.00 0.00 173.24 174.71 2gsm s ILE 375 N -0.12 4.46 -0.22 6.45 -1.09 -1.26 -4.29 121.20 125.14 2gsm s ILE 375 Ca 0.19 1.77 -0.05 0.00 -2.23 0.00 0.00 60.65 60.33 2gsm s ILE 375 Cb -0.21 -4.14 -0.02 0.00 -1.58 0.00 0.00 42.46 36.52 2gsm s ILE 375 CO -0.03 0.01 -0.00 -0.70 -1.23 0.00 0.00 174.94 172.99 2gsm s GLU 376 N 2.05 3.54 -0.47 2.79 2.12 -0.17 -5.02 118.70 123.54 2gsm s GLU 376 Ca 0.53 -0.55 -0.04 0.00 0.36 0.00 0.00 54.97 55.27 2gsm s GLU 376 Cb -0.22 -3.10 0.08 0.00 0.26 0.00 0.00 34.13 31.15 2gsm s GLU 376 CO 0.21 -0.10 2.71 1.28 -0.54 0.00 0.00 175.26 178.81 2gsm n LEU 377 N 4.57 6.53 -4.79 2.70 4.77 -1.26 -4.80 117.00 124.73 2gsm n LEU 377 Ca -0.17 -4.08 -0.30 0.00 -0.03 0.00 0.00 56.01 51.43 2gsm n LEU 377 Cb 0.51 -1.22 0.10 0.00 -2.33 0.00 0.00 43.42 40.49 2gsm n LEU 377 CO 0.30 1.71 0.70 -0.54 -1.33 0.00 0.00 177.39 178.24 2gsm s LYS 378 N -1.85 1.84 0.18 3.23 -0.14 -1.26 -4.72 119.74 117.02 2gsm s LYS 378 Ca 0.58 0.63 -0.16 0.00 -1.36 0.00 0.00 55.97 55.66 2gsm s LYS 378 Cb 0.38 -1.89 0.15 0.00 -1.68 0.00 0.00 37.83 34.79 2gsm s LYS 378 CO -0.22 -1.79 1.65 1.15 -0.76 0.00 0.00 175.35 175.37 2gsm h THR 379 N -1.21 0.50 -0.91 2.17 2.02 -1.92 -0.77 112.91 112.78 2gsm h THR 379 Ca -0.48 0.00 0.14 0.00 0.77 0.00 0.00 66.41 66.84 2gsm h THR 379 Cb 1.28 0.50 -0.07 0.00 -1.74 0.00 0.00 68.15 68.11 2gsm h THR 379 CO 0.59 0.00 0.58 -0.65 0.37 0.00 0.00 175.52 176.41 2gsm h PRO 380 N -0.01 0.73 -0.30 6.66 0.11 -1.89 -1.53 132.00 135.77 2gsm h PRO 380 Ca 0.23 -0.04 -0.15 0.00 0.11 0.00 0.00 66.00 66.15 2gsm h PRO 380 Cb 0.37 -0.16 -0.01 0.00 0.11 0.00 0.00 31.00 31.31 2gsm h PRO 380 CO -0.51 0.48 -0.42 1.98 -0.21 0.00 0.00 178.00 179.32 2gsm h MET 381 N 0.75 0.74 -0.41 1.05 4.05 -1.47 -2.08 114.93 117.55 2gsm h MET 381 Ca 0.46 -0.40 0.04 0.00 -0.28 0.00 0.00 59.70 59.52 2gsm h MET 381 Cb 0.68 0.02 -0.04 0.00 -0.80 0.00 0.00 31.60 31.46 2gsm h MET 381 CO -0.22 1.02 0.18 -0.07 0.23 0.00 0.00 176.91 178.05 2gsm h LEU 382 N 0.60 0.25 -0.51 3.39 3.38 -0.69 -0.64 115.31 121.08 2gsm h LEU 382 Ca 0.04 0.03 0.01 0.00 0.09 0.00 0.00 57.88 58.05 2gsm h LEU 382 Cb 0.98 -0.01 -0.03 0.00 0.09 0.00 0.00 40.66 41.69 2gsm h LEU 382 CO 0.09 0.18 0.34 -0.50 0.09 0.00 0.00 178.44 178.64 2gsm h TRP 383 N 0.38 0.65 -0.65 1.13 4.06 -1.27 -0.43 115.95 119.81 2gsm h TRP 383 Ca 0.18 0.02 0.00 0.00 2.06 0.00 0.00 58.89 61.15 2gsm h TRP 383 Cb 0.12 -0.22 -0.03 0.00 -1.00 0.00 0.00 29.16 28.03 2gsm h TRP 383 CO -0.12 0.41 0.42 0.00 -3.56 0.00 0.00 178.44 175.59 2gsm h ALA 384 N 1.19 0.83 -0.32 1.49 0.00 -1.01 0.10 119.26 121.54 2gsm h ALA 384 Ca 0.19 -0.06 -0.16 0.00 0.00 0.00 0.00 54.91 54.88 2gsm h ALA 384 Cb -0.08 -0.26 -0.00 0.00 0.00 0.00 0.00 17.79 17.44 2gsm h ALA 384 CO -0.04 0.27 -0.43 -0.07 0.00 0.00 0.00 179.25 178.98 2gsm h LEU 385 N 0.88 0.92 -0.43 0.00 3.38 -0.92 -2.10 115.31 117.04 2gsm h LEU 385 Ca 0.24 -0.50 0.07 0.00 0.09 0.00 0.00 57.88 57.78 2gsm h LEU 385 Cb -0.08 -0.26 -0.06 0.00 0.09 0.00 0.00 40.66 40.35 2gsm h LEU 385 CO -0.05 1.24 0.06 1.23 0.09 0.00 0.00 178.44 181.02 2gsm h GLY 386 N 0.63 0.49 0.09 0.83 0.00 -0.95 -2.45 103.07 101.71 2gsm h GLY 386 Ca 0.04 -0.00 0.13 0.00 0.00 0.00 0.00 47.33 47.49 2gsm h GLY 386 CO 0.10 -0.06 0.12 -2.75 0.00 0.00 0.00 176.54 173.95 2gsm h PHE 387 N 0.19 0.19 -0.40 5.60 3.04 -0.51 0.19 116.94 125.23 2gsm h PHE 387 Ca 0.21 0.04 -0.01 0.00 3.98 0.00 0.00 57.97 62.19 2gsm h PHE 387 Cb 0.27 0.01 -0.02 0.00 2.56 0.00 0.00 35.95 38.78 2gsm h PHE 387 CO -0.23 -0.06 0.22 -0.07 -2.02 0.00 0.00 178.31 176.15 2gsm h LEU 388 N 0.24 0.50 -0.02 0.59 3.38 -0.92 0.20 115.31 119.28 2gsm h LEU 388 Ca 0.34 -0.09 -0.01 0.00 0.09 0.00 0.00 57.88 58.21 2gsm h LEU 388 Cb 0.53 -0.13 -0.00 0.00 0.09 0.00 0.00 40.66 41.15 2gsm h LEU 388 CO -0.44 0.45 -0.01 0.15 0.09 0.00 0.00 178.44 178.68 2gsm h PHE 389 N 0.51 0.05 -0.01 1.13 3.57 -1.17 -2.86 116.94 118.16 2gsm h PHE 389 Ca 0.14 -0.01 -0.24 0.00 3.53 0.00 0.00 57.97 61.39 2gsm h PHE 389 Cb 0.06 -0.01 0.02 0.00 2.79 0.00 0.00 35.95 38.81 2gsm h PHE 389 CO -0.02 0.41 -0.92 -0.07 -2.23 0.00 0.00 178.31 175.48 2gsm h LEU 390 N -0.33 0.83 -1.16 0.59 3.38 -0.47 -2.21 115.31 115.94 2gsm h LEU 390 Ca 0.01 -0.74 -0.01 0.00 0.09 0.00 0.00 57.88 57.23 2gsm h LEU 390 Cb 0.40 -0.25 -0.03 0.00 0.09 0.00 0.00 40.66 40.86 2gsm h LEU 390 CO 0.00 1.45 0.37 0.15 0.09 0.00 0.00 178.44 180.51 2gsm h PHE 391 N 0.28 0.93 -0.68 1.13 3.57 -0.75 -1.64 116.94 119.79 2gsm h PHE 391 Ca -0.11 -0.02 0.02 0.00 3.53 0.00 0.00 57.97 61.39 2gsm h PHE 391 Cb 1.59 -0.30 -0.04 0.00 2.79 0.00 0.00 35.95 39.99 2gsm h PHE 391 CO 0.11 0.65 0.43 1.15 -2.23 0.00 0.00 178.31 178.43 2gsm h THR 392 N 0.96 1.12 -0.47 4.41 2.02 -1.35 0.14 112.91 119.73 2gsm h THR 392 Ca 0.24 -0.30 -0.01 0.00 0.77 0.00 0.00 66.41 67.12 2gsm h THR 392 Cb 0.03 0.18 -0.02 0.00 -1.74 0.00 0.00 68.15 66.60 2gsm h THR 392 CO -0.04 0.16 0.25 0.58 0.37 0.00 0.00 175.52 176.84 2gsm h VAL 393 N 0.86 1.17 -0.34 3.16 2.07 -0.81 -1.88 116.25 120.49 2gsm h VAL 393 Ca 0.26 -0.44 -0.11 0.00 0.82 0.00 0.00 66.70 67.23 2gsm h VAL 393 Cb -0.02 0.60 -0.01 0.00 -1.52 0.00 0.00 31.29 30.33 2gsm h VAL 393 CO -0.09 0.18 -0.25 1.23 0.02 0.00 0.00 177.57 178.66 2gsm h GLY 394 N 0.63 0.74 1.39 2.17 0.00 -1.18 -2.90 103.07 103.91 2gsm h GLY 394 Ca 0.17 -0.64 -0.17 0.00 0.00 0.00 0.00 47.33 46.69 2gsm h GLY 394 CO -0.03 0.58 -0.57 -1.33 0.00 0.00 0.00 176.54 175.19 2gsm h GLY 395 N 0.99 0.70 1.76 4.60 0.00 -0.32 -1.74 103.07 109.06 2gsm h GLY 395 Ca 0.08 -0.83 -0.13 0.00 0.00 0.00 0.00 47.33 46.45 2gsm h GLY 395 CO 0.06 0.75 -0.50 -2.08 0.00 0.00 0.00 176.54 174.76 2gsm h VAL 396 N 0.49 1.35 -0.08 4.60 2.07 -1.40 -1.91 116.25 121.36 2gsm h VAL 396 Ca 0.00 -1.75 -0.14 0.00 0.82 0.00 0.00 66.70 65.64 2gsm h VAL 396 Cb 1.14 1.83 -0.01 0.00 -1.52 0.00 0.00 31.29 32.73 2gsm h VAL 396 CO 0.11 0.52 -0.56 0.74 0.02 0.00 0.00 177.57 178.40 2gsm h THR 397 N 0.20 1.37 -0.35 2.57 2.02 -1.32 -2.40 112.91 115.01 2gsm h THR 397 Ca 0.01 -1.88 -0.03 0.00 0.77 0.00 0.00 66.41 65.28 2gsm h THR 397 Cb 0.96 1.93 -0.02 0.00 -1.74 0.00 0.00 68.15 69.29 2gsm h THR 397 CO 0.08 0.56 0.10 1.23 0.37 0.00 0.00 175.52 177.85 2gsm h GLY 398 N 1.43 0.54 1.07 2.16 0.00 -0.83 -2.30 103.07 105.15 2gsm h GLY 398 Ca -0.00 -0.27 -0.15 0.00 0.00 0.00 0.00 47.33 46.91 2gsm h GLY 398 CO 0.09 0.26 -0.37 -2.22 0.00 0.00 0.00 176.54 174.29 2gsm h ILE 399 N 0.50 1.28 -0.66 2.60 1.08 -0.98 -2.10 117.51 119.24 2gsm h ILE 399 Ca 0.12 -1.55 0.14 0.00 -0.39 0.00 0.00 64.86 63.18 2gsm h ILE 399 Cb 0.18 1.49 -0.10 0.00 -3.07 0.00 0.00 36.82 35.31 2gsm h ILE 399 CO -0.01 0.51 0.11 0.58 -0.69 0.00 0.00 178.15 178.65 2gsm h VAL 400 N 0.64 0.54 0.00 1.67 2.07 -1.22 -2.47 116.25 117.48 2gsm h VAL 400 Ca 0.05 -0.08 -0.05 0.00 0.82 0.00 0.00 66.70 67.44 2gsm h VAL 400 Cb 0.96 0.31 -0.01 0.00 -1.52 0.00 0.00 31.29 31.03 2gsm h VAL 400 CO 0.09 0.04 -0.25 -0.07 0.02 0.00 0.00 177.57 177.41 2gsm h LEU 401 N 0.22 0.00 -1.53 2.57 3.38 -1.16 -2.67 115.31 116.12 2gsm h LEU 401 Ca 0.36 0.00 -0.05 0.00 0.09 0.00 0.00 57.88 58.28 2gsm h LEU 401 Cb 0.58 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 41.32 2gsm h LEU 401 CO -0.48 0.25 -0.24 0.77 0.09 0.00 0.00 178.44 178.82 2gsm h SER 402 N 0.00 0.00 -1.27 -0.43 4.64 -0.89 -3.39 113.55 112.21 2gsm h SER 402 Ca -0.00 0.00 -0.42 0.00 -0.47 0.00 0.00 61.79 60.90 2gsm h SER 402 Cb 0.79 0.00 -0.06 0.00 -0.31 0.00 0.00 62.40 62.82 2gsm h SER 402 CO 0.03 0.24 1.05 -1.10 -0.87 0.00 0.00 176.83 176.19 2gsm s GLN 403 N -4.22 2.80 0.46 4.77 -1.52 -1.01 -4.46 119.66 116.48 2gsm s GLN 403 Ca -0.03 -0.18 0.32 0.00 -1.95 0.00 0.00 55.36 53.52 2gsm s GLN 403 Cb 0.14 -4.85 1.45 0.00 -0.22 0.00 0.00 33.01 29.52 2gsm s GLN 403 CO 0.67 -2.91 1.64 0.00 -0.25 0.00 0.00 175.29 174.44 2gsm h ALA 404 N 11.92 2.86 0.00 6.09 0.00 -1.86 0.12 119.26 138.39 2gsm h ALA 404 Ca -0.02 0.08 -0.12 0.00 0.00 0.00 0.00 54.91 54.85 2gsm h ALA 404 Cb 1.05 0.17 -0.02 0.00 0.00 0.00 0.00 17.79 19.00 2gsm h ALA 404 CO 1.25 -1.45 -0.57 0.66 0.00 0.00 0.00 179.25 179.15 2gsm h SER 405 N 0.09 0.00 0.43 0.00 4.64 -1.93 -1.74 113.55 115.05 2gsm h SER 405 Ca 0.80 0.00 -0.30 0.00 -0.47 0.00 0.00 61.79 61.82 2gsm h SER 405 Cb 2.61 0.00 -0.05 0.00 -0.31 0.00 0.00 62.40 64.66 2gsm h SER 405 CO -0.33 0.57 -1.76 0.52 -0.87 0.00 0.00 176.83 174.96 2gsm n VAL 406 N -3.85 1.62 0.29 0.95 0.31 0.25 -3.87 118.33 114.03 2gsm n VAL 406 Ca -0.01 -0.78 0.15 0.00 -0.01 0.00 0.00 64.34 63.68 2gsm n VAL 406 Cb 0.58 -1.10 0.86 0.00 -0.91 0.00 0.00 33.84 33.27 2gsm n VAL 406 CO 0.00 0.00 0.00 -0.78 -1.32 0.00 0.00 176.83 174.73 2gsm h ASP 407 N 0.01 0.00 -0.74 4.52 3.58 -0.94 -1.41 116.42 121.44 2gsm h ASP 407 Ca -0.31 0.00 0.16 0.00 0.42 0.00 0.00 57.03 57.30 2gsm h ASP 407 Cb 2.02 0.00 -0.11 0.00 1.72 0.00 0.00 39.33 42.96 2gsm h ASP 407 CO 0.08 0.04 0.17 -0.09 -2.88 0.00 0.00 179.24 176.56 2gsm h ARG 408 N 0.00 0.25 0.11 0.28 9.65 -1.43 0.36 114.38 123.60 2gsm h ARG 408 Ca -0.00 -0.01 -0.20 0.00 -1.10 0.00 0.00 59.98 58.67 2gsm h ARG 408 Cb 0.12 -0.06 0.02 0.00 -1.39 0.00 0.00 29.97 28.67 2gsm h ARG 408 CO 0.01 0.16 -0.84 -0.92 2.80 0.00 0.00 179.97 181.18 2gsm h TYR 409 N 0.26 0.63 0.00 2.20 5.03 -1.50 -3.38 116.97 120.22 2gsm h TYR 409 Ca 0.42 -0.42 -0.04 0.00 2.58 0.00 0.00 58.73 61.26 2gsm h TYR 409 Cb 0.73 -0.04 -0.01 0.00 1.55 0.00 0.00 36.73 38.96 2gsm h TYR 409 CO -0.27 1.30 -0.58 1.88 -1.32 0.00 0.00 178.16 179.17 2gsm h TYR 410 N -0.21 0.00 -2.84 -3.82 0.05 -1.13 -3.45 116.97 105.56 2gsm h TYR 410 Ca -0.14 0.00 -0.56 0.00 0.05 0.00 0.00 58.73 58.08 2gsm h TYR 410 Cb 1.62 0.00 0.08 0.00 1.01 0.00 0.00 36.73 39.44 2gsm h TYR 410 CO 0.17 0.18 0.76 1.58 -1.05 0.00 0.00 178.16 179.80 2gsm n HIS 411 N -2.98 2.46 -3.08 4.88 -0.00 0.12 -1.31 115.22 115.32 2gsm n HIS 411 Ca 0.01 0.32 -0.22 0.00 0.46 0.00 0.00 57.72 58.29 2gsm n HIS 411 Cb 0.62 -2.53 0.02 0.00 -0.12 0.00 0.00 29.99 27.98 2gsm n HIS 411 CO 0.00 0.00 0.00 -0.25 0.46 0.00 0.00 176.34 176.55 2gsm n ASP 412 N 2.43 -5.50 -4.67 0.26 8.00 -1.26 -4.98 116.55 110.82 2gsm n ASP 412 Ca 0.11 -0.30 -0.30 0.00 0.71 0.00 0.00 54.79 55.02 2gsm n ASP 412 Cb 0.33 -4.47 -0.09 0.00 -0.02 0.00 0.00 41.12 36.87 2gsm n ASP 412 CO 0.00 0.00 0.00 0.42 -0.39 0.00 0.00 177.20 177.23 2gsm s THR 413 N -3.11 1.50 -0.90 -3.53 -4.23 -0.42 -1.84 115.64 103.11 2gsm s THR 413 Ca 0.31 -2.00 0.12 0.00 -1.18 0.00 0.00 61.69 58.94 2gsm s THR 413 Cb -0.15 -2.54 0.11 0.00 1.34 0.00 0.00 72.50 71.26 2gsm s THR 413 CO 0.39 0.00 1.38 -1.22 -0.54 0.00 0.00 174.62 174.62 2gsm n TYR 414 N -1.11 0.13 -0.16 3.99 4.02 -0.51 -2.11 117.16 121.41 2gsm n TYR 414 Ca -0.12 0.06 -0.05 0.00 -0.01 0.00 0.00 57.90 57.77 2gsm n TYR 414 Cb 0.67 -0.59 0.12 0.00 -0.02 0.00 0.00 39.34 39.52 2gsm n TYR 414 CO 0.00 0.00 0.00 -0.92 -1.01 0.00 0.00 176.86 174.93 2gsm h TYR 415 N 0.00 0.97 -0.34 -0.72 5.03 -1.82 -0.43 116.97 119.66 2gsm h TYR 415 Ca 0.00 -0.13 -0.06 0.00 2.58 0.00 0.00 58.73 61.12 2gsm h TYR 415 Cb 0.18 -0.27 -0.01 0.00 1.55 0.00 0.00 36.73 38.18 2gsm h TYR 415 CO 0.00 0.84 -0.02 0.28 -1.32 0.00 0.00 178.16 177.94 2gsm h VAL 416 N 0.86 1.27 -0.80 1.81 2.07 -1.63 -1.47 116.25 118.36 2gsm h VAL 416 Ca 0.17 -1.02 0.10 0.00 0.82 0.00 0.00 66.70 66.77 2gsm h VAL 416 Cb 0.42 1.25 -0.08 0.00 -1.52 0.00 0.00 31.29 31.37 2gsm h VAL 416 CO 0.01 0.34 0.43 0.58 0.02 0.00 0.00 177.57 178.95 2gsm h VAL 417 N 0.42 0.86 -0.15 2.57 2.07 -1.53 -1.30 116.25 119.19 2gsm h VAL 417 Ca 0.09 -0.24 -0.02 0.00 0.82 0.00 0.00 66.70 67.35 2gsm h VAL 417 Cb 0.49 0.09 -0.01 0.00 -1.52 0.00 0.00 31.29 30.35 2gsm h VAL 417 CO 0.02 0.13 0.03 0.00 0.02 0.00 0.00 177.57 177.77 2gsm h ALA 418 N 1.47 0.20 -0.32 1.67 0.00 -0.81 -1.87 119.26 119.59 2gsm h ALA 418 Ca 0.39 -0.15 0.04 0.00 0.00 0.00 0.00 54.91 55.19 2gsm h ALA 418 Cb 0.41 -0.06 -0.06 0.00 0.00 0.00 0.00 17.79 18.09 2gsm h ALA 418 CO -0.27 -0.15 -0.39 1.25 0.00 0.00 0.00 179.25 179.69 2gsm h HIS 419 N 0.04 -1.21 0.00 0.00 6.17 -0.72 -1.40 115.15 118.03 2gsm h HIS 419 Ca 0.05 0.06 -0.06 0.00 0.71 0.00 0.00 60.37 61.12 2gsm h HIS 419 Cb 0.29 0.57 -0.01 0.00 2.52 0.00 0.00 27.41 30.78 2gsm h HIS 419 CO 0.01 -0.34 -0.30 0.27 0.71 0.00 0.00 177.93 178.28 2gsm h PHE 420 N -0.26 0.00 -0.01 5.26 -5.15 -1.22 -1.89 116.94 113.67 2gsm h PHE 420 Ca 0.06 0.00 -0.17 0.00 -0.20 0.00 0.00 57.97 57.65 2gsm h PHE 420 Cb 0.41 0.00 -0.02 0.00 0.22 0.00 0.00 35.95 36.56 2gsm h PHE 420 CO -0.71 0.30 -0.79 0.45 -2.00 0.00 0.00 178.31 175.56 2gsm h HIS 421 N 0.00 0.18 -0.32 6.09 3.86 -1.17 -0.51 115.15 123.29 2gsm h HIS 421 Ca -0.00 -0.09 -0.03 0.00 -1.16 0.00 0.00 60.37 59.09 2gsm h HIS 421 Cb 0.77 -0.02 -0.01 0.00 1.06 0.00 0.00 27.41 29.20 2gsm h HIS 421 CO 0.00 0.86 0.09 1.88 0.86 0.00 0.00 177.93 181.62 2gsm h TYR 422 N 0.08 0.52 -0.03 2.45 -1.99 -0.47 0.16 116.97 117.68 2gsm h TYR 422 Ca -0.02 -0.06 -0.15 0.00 2.00 0.00 0.00 58.73 60.50 2gsm h TYR 422 Cb 1.38 -0.15 -0.01 0.00 2.00 0.00 0.00 36.73 39.95 2gsm h TYR 422 CO 0.02 0.53 -0.65 -0.39 -0.00 0.00 0.00 178.16 177.66 2gsm h VAL 423 N 0.35 1.43 0.00 -2.88 -1.51 -1.45 -2.53 116.25 109.66 2gsm h VAL 423 Ca 0.10 -2.15 -0.03 0.00 -1.23 0.00 0.00 66.70 63.39 2gsm h VAL 423 Cb 0.26 2.13 -0.00 0.00 -2.13 0.00 0.00 31.29 31.55 2gsm h VAL 423 CO -0.00 0.63 -0.75 0.23 -1.23 0.00 0.00 177.57 176.44 2gsm n MET 424 N -3.81 0.48 0.17 5.19 2.81 -0.20 -1.51 117.12 120.26 2gsm n MET 424 Ca -0.02 0.44 0.06 0.00 -1.81 0.00 0.00 57.70 56.36 2gsm n MET 424 Cb 0.65 -1.62 0.10 0.00 -0.71 0.00 0.00 33.22 31.64 2gsm n MET 424 CO 0.00 0.00 0.00 1.03 1.51 0.00 0.00 175.97 178.51 2gsm h SER 425 N -1.00 0.00 -0.33 7.83 0.87 -0.91 0.41 113.55 120.43 2gsm h SER 425 Ca -0.04 0.00 0.00 0.00 -1.23 0.00 0.00 61.79 60.52 2gsm h SER 425 Cb 0.73 0.00 0.00 0.00 -0.44 0.00 0.00 62.40 62.69 2gsm h SER 425 CO -0.03 0.33 0.00 0.18 -0.53 0.00 0.00 176.83 176.78 2gsm n LEU 426 N -3.20 2.88 0.00 2.23 7.99 -0.61 -4.43 117.00 121.86 2gsm n LEU 426 Ca 0.02 -1.81 0.00 0.00 -0.01 0.00 0.00 56.01 54.22 2gsm n LEU 426 Cb 0.65 -0.22 0.00 0.00 -0.11 0.00 0.00 43.42 43.74 2gsm n LEU 426 CO 0.38 0.69 0.00 0.61 -1.51 0.00 0.00 177.39 177.56 2gsm n GLY 427 N 0.68 0.50 0.31 -0.72 0.00 -0.97 -4.28 105.19 100.71 2gsm n GLY 427 Ca 0.12 0.00 0.08 0.00 0.00 0.00 0.00 46.02 46.23 2gsm n GLY 427 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2gsm h ALA 428 N 0.72 1.29 -0.31 4.61 0.00 -0.88 -0.83 119.26 123.86 2gsm h ALA 428 Ca 0.00 0.11 -0.08 0.00 0.00 0.00 0.00 54.91 54.94 2gsm h ALA 428 Cb 0.00 0.04 -0.02 0.00 0.00 0.00 0.00 17.79 17.81 2gsm h ALA 428 CO 0.00 -0.17 -0.16 0.28 0.00 0.00 0.00 179.25 179.20 2gsm h VAL 429 N 0.54 1.25 -0.45 0.00 2.07 -1.15 0.25 116.25 118.76 2gsm h VAL 429 Ca 0.48 -1.12 -0.07 0.00 0.82 0.00 0.00 66.70 66.81 2gsm h VAL 429 Cb 0.76 1.18 -0.02 0.00 -1.52 0.00 0.00 31.29 31.69 2gsm h VAL 429 CO -0.41 0.37 -0.02 -0.26 0.02 0.00 0.00 177.57 177.27 2gsm h PHE 430 N 0.50 0.79 -0.69 1.57 -1.00 -1.40 -0.47 116.94 116.24 2gsm h PHE 430 Ca 0.09 -0.11 -0.00 0.00 2.81 0.00 0.00 57.97 60.76 2gsm h PHE 430 Cb 0.56 -0.22 -0.03 0.00 3.61 0.00 0.00 35.95 39.88 2gsm h PHE 430 CO 0.02 0.74 0.43 0.78 -1.61 0.00 0.00 178.31 178.67 2gsm h GLY 431 N 0.96 0.99 0.84 -1.45 0.00 -0.58 0.12 103.07 103.94 2gsm h GLY 431 Ca 0.13 -0.40 0.02 0.00 0.00 0.00 0.00 47.33 47.09 2gsm h GLY 431 CO 0.02 0.39 0.17 -2.22 0.00 0.00 0.00 176.54 174.90 2gsm h ILE 432 N 0.93 0.99 -0.57 2.60 2.04 -0.27 -1.73 117.51 121.50 2gsm h ILE 432 Ca 0.25 -0.12 -0.10 0.00 1.00 0.00 0.00 64.86 65.88 2gsm h ILE 432 Cb -0.05 0.59 -0.02 0.00 -0.74 0.00 0.00 36.82 36.60 2gsm h ILE 432 CO -0.05 0.07 -0.04 -0.26 0.00 0.00 0.00 178.15 177.87 2gsm h PHE 433 N 0.36 1.13 -0.47 1.37 0.04 -0.89 -1.10 116.94 117.38 2gsm h PHE 433 Ca 0.15 -0.20 0.07 0.00 2.80 0.00 0.00 57.97 60.78 2gsm h PHE 433 Cb 0.05 -0.29 -0.06 0.00 2.20 0.00 0.00 35.95 37.86 2gsm h PHE 433 CO -0.10 1.01 0.14 0.00 -0.60 0.00 0.00 178.31 178.77 2gsm h ALA 434 N 1.01 0.56 -0.56 2.45 0.00 -0.64 -1.68 119.26 120.41 2gsm h ALA 434 Ca 0.16 0.07 -0.03 0.00 0.00 0.00 0.00 54.91 55.12 2gsm h ALA 434 Cb 0.59 0.07 -0.02 0.00 0.00 0.00 0.00 17.79 18.42 2gsm h ALA 434 CO 0.04 -0.26 0.24 0.78 0.00 0.00 0.00 179.25 180.05 2gsm h GLY 435 N 0.30 0.88 0.98 0.00 0.00 -0.97 -0.28 103.07 103.98 2gsm h GLY 435 Ca 0.23 -0.47 -0.01 0.00 0.00 0.00 0.00 47.33 47.08 2gsm h GLY 435 CO -0.26 0.44 -0.16 -2.22 0.00 0.00 0.00 176.54 174.34 2gsm h ILE 436 N 0.76 0.66 -0.47 2.60 1.08 -0.65 -0.82 117.51 120.68 2gsm h ILE 436 Ca 0.19 0.00 -0.09 0.00 -0.39 0.00 0.00 64.86 64.57 2gsm h ILE 436 Cb 0.17 0.66 -0.02 0.00 -3.07 0.00 0.00 36.82 34.57 2gsm h ILE 436 CO -0.02 0.00 -0.07 1.88 -0.69 0.00 0.00 178.15 179.25 2gsm h TYR 437 N -0.44 0.90 -0.69 1.37 0.05 -1.25 0.13 116.97 117.03 2gsm h TYR 437 Ca -0.04 -0.15 0.02 0.00 0.05 0.00 0.00 58.73 58.61 2gsm h TYR 437 Cb 0.35 -0.23 -0.04 0.00 1.01 0.00 0.00 36.73 37.81 2gsm h TYR 437 CO -0.07 0.86 0.44 0.35 -1.05 0.00 0.00 178.16 178.70 2gsm h PHE 438 N 0.75 0.83 -0.00 4.88 3.57 -0.88 -3.35 116.94 122.74 2gsm h PHE 438 Ca 0.13 0.02 0.00 0.00 3.53 0.00 0.00 57.97 61.65 2gsm h PHE 438 Cb 0.56 -0.27 0.00 0.00 2.79 0.00 0.00 35.95 39.02 2gsm h PHE 438 CO 0.03 0.49 -0.37 0.91 -2.23 0.00 0.00 178.31 177.14 2gsm n TRP 439 N -4.65 0.00 -0.31 0.41 8.01 -0.33 -4.67 117.44 115.91 2gsm n TRP 439 Ca 0.07 0.00 0.04 0.00 -1.31 0.00 0.00 57.50 56.30 2gsm n TRP 439 Cb 0.07 0.00 0.19 0.00 -2.01 0.00 0.00 31.31 29.55 2gsm n TRP 439 CO 0.00 0.00 0.00 0.97 -1.01 0.00 0.00 177.69 177.65 2gsm h ILE 440 N 0.10 0.90 -0.35 -0.99 2.10 -0.88 -0.94 117.51 117.45 2gsm h ILE 440 Ca 0.00 -0.28 0.03 0.00 1.08 0.00 0.00 64.86 65.69 2gsm h ILE 440 Cb 0.21 0.00 -0.03 0.00 -1.09 0.00 0.00 36.82 35.91 2gsm h ILE 440 CO 0.00 0.15 0.15 1.23 -1.08 0.00 0.00 178.15 178.60 2gsm h GLY 441 N 0.82 0.46 1.03 8.18 0.00 -1.82 -0.57 103.07 111.19 2gsm h GLY 441 Ca 0.42 -0.10 0.01 0.00 0.00 0.00 0.00 47.33 47.67 2gsm h GLY 441 CO -0.26 0.07 0.64 1.70 0.00 0.00 0.00 176.54 178.68 2gsm h LYS 442 N 0.32 1.25 0.04 4.80 1.63 -1.57 0.48 116.57 123.51 2gsm h LYS 442 Ca 0.15 -0.08 -0.26 0.00 -0.85 0.00 0.00 60.65 59.62 2gsm h LYS 442 Cb 0.09 -0.28 -0.03 0.00 -0.60 0.00 0.00 32.23 31.41 2gsm h LYS 442 CO -0.13 0.83 -1.31 0.52 -3.45 0.00 0.00 179.45 175.91 2gsm h MET 443 N 1.29 0.08 0.00 1.90 2.86 -0.99 -3.32 114.93 116.74 2gsm h MET 443 Ca 0.36 -0.14 -0.06 0.00 -2.06 0.00 0.00 59.70 57.80 2gsm h MET 443 Cb -0.12 0.05 -0.01 0.00 0.06 0.00 0.00 31.60 31.58 2gsm h MET 443 CO -0.08 0.93 -1.55 -1.13 1.06 0.00 0.00 176.91 176.14 2gsm n SER 444 N -3.32 2.57 0.00 1.22 3.41 -0.24 -4.69 113.62 112.57 2gsm n SER 444 Ca -0.08 0.00 0.00 0.00 -0.26 0.00 0.00 58.87 58.53 2gsm n SER 444 Cb 1.00 1.25 0.00 0.00 -0.26 0.00 0.00 64.21 66.20 2gsm n SER 444 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 2gsm n GLY 445 N 2.05 0.54 3.21 5.00 0.00 0.15 -4.66 105.19 111.48 2gsm n GLY 445 Ca -0.06 0.00 -0.25 0.00 0.00 0.00 0.00 46.02 45.71 2gsm n GLY 445 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 2gsm s ARG 446 N -0.12 1.36 -0.04 1.61 0.52 -1.25 -0.42 118.95 120.60 2gsm s ARG 446 Ca 0.00 -0.81 -0.08 0.00 -0.52 0.00 0.00 55.73 54.32 2gsm s ARG 446 Cb 0.00 -1.39 -0.05 0.00 0.52 0.00 0.00 34.95 34.03 2gsm s ARG 446 CO 0.00 0.37 0.24 -1.14 0.02 0.00 0.00 175.30 174.78 2gsm s GLN 447 N -0.89 3.58 0.42 3.54 2.00 0.27 -3.20 119.66 125.38 2gsm s GLN 447 Ca 0.06 -0.02 -0.23 0.00 -2.00 0.00 0.00 55.36 53.18 2gsm s GLN 447 Cb -0.08 -3.15 -0.09 0.00 0.80 0.00 0.00 33.01 30.49 2gsm s GLN 447 CO 0.01 0.71 1.01 1.52 -0.50 0.00 0.00 175.29 178.04 2gsm s TYR 448 N -1.16 3.25 -0.03 1.67 1.13 -1.26 -3.44 117.35 117.51 2gsm s TYR 448 Ca 0.22 1.63 -0.30 0.00 -1.41 0.00 0.00 57.07 57.21 2gsm s TYR 448 Cb -0.13 -3.03 -0.04 0.00 -1.10 0.00 0.00 41.96 37.66 2gsm s TYR 448 CO 0.11 -0.47 1.26 -1.25 -2.51 0.00 0.00 175.55 172.69 2gsm s PRO 449 N -2.80 4.34 0.17 -3.49 0.04 -1.26 -4.95 135.00 127.05 2gsm s PRO 449 Ca 0.60 1.77 -0.12 0.00 0.04 0.00 0.00 61.00 63.30 2gsm s PRO 449 Cb -0.17 -3.55 0.07 0.00 0.04 0.00 0.00 34.50 30.90 2gsm s PRO 449 CO 0.22 -0.47 1.73 1.49 0.04 0.00 0.00 177.00 180.00 2gsm h GLU 450 N 7.52 0.89 -0.65 4.56 4.57 -2.00 -2.02 114.58 127.45 2gsm h GLU 450 Ca -0.36 -0.16 0.01 0.00 -1.18 0.00 0.00 59.36 57.67 2gsm h GLU 450 Cb 1.17 -0.14 -0.03 0.00 -0.16 0.00 0.00 28.75 29.58 2gsm h GLU 450 CO 0.88 0.75 0.43 0.11 -1.18 0.00 0.00 179.01 180.01 2gsm h TRP 451 N 0.82 0.82 -0.19 0.92 5.08 -2.00 -2.05 115.95 119.36 2gsm h TRP 451 Ca 0.20 0.02 -0.18 0.00 1.08 0.00 0.00 58.89 60.00 2gsm h TRP 451 Cb 0.20 -0.28 -0.00 0.00 -3.00 0.00 0.00 29.16 26.08 2gsm h TRP 451 CO 0.01 0.51 -0.63 0.00 -1.28 0.00 0.00 178.44 177.05 2gsm h ALA 452 N 1.59 0.54 -0.35 0.11 0.00 -1.79 -1.48 119.26 117.88 2gsm h ALA 452 Ca 0.24 -0.55 0.03 0.00 0.00 0.00 0.00 54.91 54.63 2gsm h ALA 452 Cb -0.09 -0.06 -0.03 0.00 0.00 0.00 0.00 17.79 17.60 2gsm h ALA 452 CO -0.05 0.70 0.16 0.78 0.00 0.00 0.00 179.25 180.84 2gsm h GLY 453 N 0.90 0.47 1.11 0.00 0.00 -1.03 -0.77 103.07 103.75 2gsm h GLY 453 Ca -0.01 -0.11 -0.10 0.00 0.00 0.00 0.00 47.33 47.11 2gsm h GLY 453 CO 0.12 0.07 -0.03 0.50 0.00 0.00 0.00 176.54 177.21 2gsm h LYS 454 N 0.33 1.06 -0.55 4.80 1.57 -1.34 -1.54 116.57 120.91 2gsm h LYS 454 Ca 0.15 -0.35 -0.02 0.00 -1.87 0.00 0.00 60.65 58.56 2gsm h LYS 454 Cb 0.09 -0.09 -0.02 0.00 0.08 0.00 0.00 32.23 32.28 2gsm h LYS 454 CO -0.12 1.05 0.25 1.25 -0.57 0.00 0.00 179.45 181.30 2gsm h LEU 455 N 0.96 0.73 -0.06 2.94 5.85 -1.03 -1.54 115.31 123.16 2gsm h LEU 455 Ca 0.16 -0.14 0.03 0.00 0.84 0.00 0.00 57.88 58.77 2gsm h LEU 455 Cb 0.59 -0.19 -0.03 0.00 0.37 0.00 0.00 40.66 41.40 2gsm h LEU 455 CO 0.04 0.67 -0.09 -0.74 -0.34 0.00 0.00 178.44 177.98 2gsm h HIS 456 N 0.74 -0.23 -0.29 1.25 2.76 -1.00 -1.84 115.15 116.54 2gsm h HIS 456 Ca 0.19 0.01 0.07 0.00 -2.20 0.00 0.00 60.37 58.44 2gsm h HIS 456 Cb 0.15 0.11 -0.07 0.00 1.55 0.00 0.00 27.41 29.15 2gsm h HIS 456 CO 0.00 -0.14 -0.20 0.35 -1.30 0.00 0.00 177.93 176.64 2gsm h PHE 457 N -0.13 -0.51 -0.55 5.26 3.57 -1.00 -1.18 116.94 122.40 2gsm h PHE 457 Ca 0.06 0.04 -0.09 0.00 3.53 0.00 0.00 57.97 61.51 2gsm h PHE 457 Cb 0.21 0.27 -0.02 0.00 2.79 0.00 0.00 35.95 39.20 2gsm h PHE 457 CO -0.19 -0.28 -0.00 -1.49 -2.23 0.00 0.00 178.31 174.12 2gsm h TRP 458 N -0.17 1.07 -0.28 0.41 4.06 -1.05 0.21 115.95 120.20 2gsm h TRP 458 Ca 0.16 -0.19 0.00 0.00 2.06 0.00 0.00 58.89 60.92 2gsm h TRP 458 Cb 0.41 -0.28 -0.01 0.00 -1.00 0.00 0.00 29.16 28.28 2gsm h TRP 458 CO -0.38 0.97 0.18 0.52 -3.56 0.00 0.00 178.44 176.16 2gsm h MET 459 N 0.86 0.38 -0.46 0.49 2.86 -1.21 -0.46 114.93 117.38 2gsm h MET 459 Ca 0.16 -0.03 -0.02 0.00 -2.06 0.00 0.00 59.70 57.75 2gsm h MET 459 Cb 0.54 -0.08 -0.02 0.00 0.06 0.00 0.00 31.60 32.10 2gsm h MET 459 CO 0.03 0.27 0.22 1.98 1.06 0.00 0.00 176.91 180.47 2gsm h MET 460 N 0.37 0.67 -0.14 1.72 1.85 -1.05 0.26 114.93 118.61 2gsm h MET 460 Ca 0.10 -0.10 0.03 0.00 -0.61 0.00 0.00 59.70 59.12 2gsm h MET 460 Cb -0.02 -0.12 -0.02 0.00 0.43 0.00 0.00 31.60 31.86 2gsm h MET 460 CO -0.02 0.57 -0.02 0.35 -0.40 0.00 0.00 176.91 177.38 2gsm h PHE 461 N 0.61 -0.05 -0.08 1.39 3.04 -0.35 0.24 116.94 121.74 2gsm h PHE 461 Ca 0.16 0.01 -0.02 0.00 3.98 0.00 0.00 57.97 62.10 2gsm h PHE 461 Cb 0.12 0.04 -0.00 0.00 2.56 0.00 0.00 35.95 38.67 2gsm h PHE 461 CO -0.01 -0.04 -0.02 0.28 -2.02 0.00 0.00 178.31 176.50 2gsm h VAL 462 N 0.02 1.29 -0.11 1.41 2.07 -1.07 -2.99 116.25 116.86 2gsm h VAL 462 Ca 0.07 -0.94 -0.00 0.00 0.82 0.00 0.00 66.70 66.65 2gsm h VAL 462 Cb 0.09 1.76 -0.01 0.00 -1.52 0.00 0.00 31.29 31.62 2gsm h VAL 462 CO -0.13 0.26 0.06 1.23 0.02 0.00 0.00 177.57 179.01 2gsm h GLY 463 N -0.18 0.17 1.60 2.17 0.00 -0.79 -1.75 103.07 104.29 2gsm h GLY 463 Ca 0.02 -0.08 -0.12 0.00 0.00 0.00 0.00 47.33 47.15 2gsm h GLY 463 CO 0.01 0.08 -0.39 0.00 0.00 0.00 0.00 176.54 176.24 2gsm h ALA 464 N 0.95 0.97 -0.55 3.60 0.00 -0.61 -0.56 119.26 123.05 2gsm h ALA 464 Ca 0.04 -0.42 -0.07 0.00 0.00 0.00 0.00 54.91 54.46 2gsm h ALA 464 Cb 0.09 -0.10 -0.02 0.00 0.00 0.00 0.00 17.79 17.75 2gsm h ALA 464 CO -0.01 0.62 0.06 -0.91 0.00 0.00 0.00 179.25 179.01 2gsm h ASN 465 N 0.37 0.90 -0.08 0.00 2.35 -1.50 -1.72 115.58 115.90 2gsm h ASN 465 Ca 0.04 -0.28 -0.05 0.00 -0.55 0.00 0.00 56.30 55.46 2gsm h ASN 465 Cb 0.84 -0.24 -0.01 0.00 0.05 0.00 0.00 38.32 38.96 2gsm h ASN 465 CO 0.07 0.95 -0.09 -0.07 -1.65 0.00 0.00 177.43 176.65 2gsm h LEU 466 N 0.82 0.34 0.00 1.61 3.38 -0.94 -1.18 115.31 119.34 2gsm h LEU 466 Ca 0.16 -0.07 -0.00 0.00 0.09 0.00 0.00 57.88 58.06 2gsm h LEU 466 Cb 0.46 -0.09 0.00 0.00 0.09 0.00 0.00 40.66 41.12 2gsm h LEU 466 CO 0.02 0.47 -0.00 0.74 0.09 0.00 0.00 178.44 179.76 2gsm h THR 467 N 0.35 1.33 0.00 0.22 2.02 -0.92 -3.33 112.91 112.58 2gsm h THR 467 Ca 0.07 -0.99 -0.34 0.00 0.77 0.00 0.00 66.41 65.93 2gsm h THR 467 Cb 0.37 2.01 -0.06 0.00 -1.74 0.00 0.00 68.15 68.73 2gsm h THR 467 CO 0.02 0.26 -2.30 0.49 0.37 0.00 0.00 175.52 174.35 2gsm n PHE 468 N -4.89 0.00 -0.24 3.16 3.72 -0.66 -4.35 117.46 114.20 2gsm n PHE 468 Ca -0.08 0.00 -0.05 0.00 -0.05 0.00 0.00 57.45 57.27 2gsm n PHE 468 Cb 0.22 -0.93 0.06 0.00 -0.94 0.00 0.00 39.48 37.89 2gsm n PHE 468 CO 0.00 0.00 0.00 0.35 -0.05 0.00 0.00 176.76 177.06 2gsm h PHE 469 N 0.00 0.82 0.00 1.38 3.57 -1.43 -1.38 116.94 119.90 2gsm h PHE 469 Ca -0.50 0.02 -0.00 0.00 3.53 0.00 0.00 57.97 61.02 2gsm h PHE 469 Cb 2.14 -0.28 -0.00 0.00 2.79 0.00 0.00 35.95 40.60 2gsm h PHE 469 CO 0.00 0.50 -0.01 -1.35 -2.23 0.00 0.00 178.31 175.23 2gsm h PRO 470 N 0.88 0.00 0.00 6.41 0.11 -1.77 -2.07 132.00 135.56 2gsm h PRO 470 Ca 0.25 0.00 -0.03 0.00 0.11 0.00 0.00 66.00 66.34 2gsm h PRO 470 Cb -0.06 0.00 -0.00 0.00 0.11 0.00 0.00 31.00 31.04 2gsm h PRO 470 CO -0.07 0.01 -0.13 1.96 -0.21 0.00 0.00 178.00 179.55 2gsm h GLN 471 N 0.00 0.00 -0.56 1.05 4.20 -1.44 -1.41 115.11 116.94 2gsm h GLN 471 Ca -0.00 0.00 0.01 0.00 0.06 0.00 0.00 58.65 58.72 2gsm h GLN 471 Cb 0.06 0.00 -0.03 0.00 0.30 0.00 0.00 27.48 27.81 2gsm h GLN 471 CO 0.00 0.13 0.36 0.45 -0.67 0.00 0.00 178.83 179.10 2gsm h HIS 472 N 0.00 0.68 -0.36 2.96 3.86 -1.45 -0.91 115.15 119.93 2gsm h HIS 472 Ca -0.00 0.02 -0.02 0.00 -1.16 0.00 0.00 60.37 59.20 2gsm h HIS 472 Cb 0.47 -0.23 -0.02 0.00 1.06 0.00 0.00 27.41 28.70 2gsm h HIS 472 CO 0.00 0.42 0.13 0.74 0.86 0.00 0.00 177.93 180.08 2gsm h PHE 473 N 0.73 0.57 -0.74 2.45 0.04 -1.42 -1.55 116.94 117.02 2gsm h PHE 473 Ca 0.21 -0.05 0.06 0.00 2.80 0.00 0.00 57.97 60.99 2gsm h PHE 473 Cb -0.05 -0.17 -0.06 0.00 2.20 0.00 0.00 35.95 37.87 2gsm h PHE 473 CO -0.04 0.53 0.43 -0.07 -0.60 0.00 0.00 178.31 178.57 2gsm h LEU 474 N 0.44 0.66 -0.50 1.54 3.38 -1.20 -1.38 115.31 118.25 2gsm h LEU 474 Ca 0.12 0.02 -0.10 0.00 0.09 0.00 0.00 57.88 58.02 2gsm h LEU 474 Cb 0.22 -0.11 -0.02 0.00 0.09 0.00 0.00 40.66 40.84 2gsm h LEU 474 CO -0.01 0.43 -0.07 1.23 0.09 0.00 0.00 178.44 180.11 2gsm h GLY 475 N 0.80 1.00 1.75 0.83 0.00 -0.98 -0.95 103.07 105.53 2gsm h GLY 475 Ca 0.33 -0.79 -0.04 0.00 0.00 0.00 0.00 47.33 46.83 2gsm h GLY 475 CO -0.18 0.73 -0.03 3.21 0.00 0.00 0.00 176.54 180.27 2gsm h ARG 476 N 0.79 0.31 -0.00 4.80 3.08 -1.05 -0.91 114.38 121.40 2gsm h ARG 476 Ca 0.13 -0.05 0.00 0.00 0.07 0.00 0.00 59.98 60.13 2gsm h ARG 476 Cb 0.61 -0.05 0.00 0.00 0.08 0.00 0.00 29.97 30.61 2gsm h ARG 476 CO 0.04 0.36 -0.10 1.04 -1.07 0.00 0.00 179.97 180.24 2gsm n GLN 477 N -4.34 0.61 -0.08 0.04 1.13 -0.54 -4.93 117.38 109.27 2gsm n GLN 477 Ca 0.00 -0.18 0.00 0.00 -1.94 0.00 0.00 57.00 54.88 2gsm n GLN 477 Cb 0.21 -1.50 0.00 0.00 0.11 0.00 0.00 30.24 29.06 2gsm n GLN 477 CO 0.00 0.00 0.00 0.41 -1.44 0.00 0.00 177.06 176.03 2gsm n GLY 478 N 1.29 0.95 3.64 1.08 0.00 -0.35 -5.05 105.19 106.75 2gsm n GLY 478 Ca 0.14 -0.08 -0.43 0.00 0.00 0.00 0.00 46.02 45.65 2gsm n GLY 478 CO 0.00 0.00 0.00 -0.29 0.00 0.00 0.00 173.32 173.03 2gsm s MET 479 N -0.20 4.00 0.64 1.61 1.75 -0.44 -4.99 119.30 121.67 2gsm s MET 479 Ca 0.00 1.54 -0.15 0.00 -1.25 0.00 0.00 55.69 55.82 2gsm s MET 479 Cb 0.00 -3.89 -0.01 0.00 2.84 0.00 0.00 34.83 33.76 2gsm s MET 479 CO 0.00 -1.03 1.10 -2.14 -0.65 0.00 0.00 175.02 172.30 2gsm s PRO 480 N 4.09 2.95 0.67 4.11 0.02 -1.26 -1.43 135.00 144.15 2gsm s PRO 480 Ca 0.61 1.37 -0.15 0.00 0.02 0.00 0.00 61.00 62.84 2gsm s PRO 480 Cb -0.21 -1.97 0.00 0.00 0.02 0.00 0.00 34.50 32.34 2gsm s PRO 480 CO 0.23 -1.13 1.12 1.03 -0.33 0.00 0.00 177.00 177.92 2gsm s ARG 481 N -4.03 2.73 -1.07 5.54 0.52 -0.76 -4.31 118.95 117.56 2gsm s ARG 481 Ca 0.67 1.42 -0.02 0.00 -0.52 0.00 0.00 55.73 57.27 2gsm s ARG 481 Cb -0.20 -1.94 0.00 0.00 0.52 0.00 0.00 34.95 33.34 2gsm s ARG 481 CO 0.39 -1.31 0.32 0.54 0.02 0.00 0.00 175.30 175.27 2gsm n ARG 482 N -2.46 -2.81 -4.19 3.54 1.74 -1.26 -5.00 116.66 106.22 2gsm n ARG 482 Ca 0.11 0.62 -0.34 0.00 -0.77 0.00 0.00 57.85 57.47 2gsm n ARG 482 Cb 0.52 -4.87 -0.12 0.00 -1.02 0.00 0.00 32.46 26.97 2gsm n ARG 482 CO 0.00 0.00 0.00 0.71 -1.52 0.00 0.00 177.63 176.82 2gsm s TYR 483 N -2.90 3.07 0.33 -1.55 1.51 -1.26 -4.91 117.35 111.63 2gsm s TYR 483 Ca 0.16 -0.30 0.13 0.00 -1.01 0.00 0.00 57.07 56.05 2gsm s TYR 483 Cb -0.07 -2.04 0.64 0.00 -0.11 0.00 0.00 41.96 40.38 2gsm s TYR 483 CO 0.20 -0.09 1.76 0.97 -1.11 0.00 0.00 175.55 177.28 2gsm h ILE 484 N 5.20 1.26 -3.96 2.71 2.10 -1.95 -3.47 117.51 119.41 2gsm h ILE 484 Ca -0.34 -1.52 -0.10 0.00 1.08 0.00 0.00 64.86 63.98 2gsm h ILE 484 Cb 1.18 1.83 -0.14 0.00 -1.09 0.00 0.00 36.82 38.60 2gsm h ILE 484 CO 0.63 0.43 -0.47 -0.62 -1.08 0.00 0.00 178.15 177.03 2gsm s ASP 485 N -6.84 0.24 0.01 2.19 2.15 -1.26 -4.78 116.67 108.39 2gsm s ASP 485 Ca -0.02 -0.78 -0.12 0.00 0.43 0.00 0.00 52.55 52.06 2gsm s ASP 485 Cb 0.14 0.29 0.01 0.00 -0.30 0.00 0.00 42.92 43.06 2gsm s ASP 485 CO 0.73 -0.69 0.25 -0.72 -0.17 0.00 0.00 175.17 174.57 2gsm s TYR 486 N -3.88 -0.07 0.34 -5.34 1.13 -1.26 -5.06 117.35 103.20 2gsm s TYR 486 Ca 0.06 0.01 -0.26 0.00 -1.41 0.00 0.00 57.07 55.46 2gsm s TYR 486 Cb 0.06 0.04 -0.13 0.00 -1.10 0.00 0.00 41.96 40.83 2gsm s TYR 486 CO -0.10 -0.40 0.95 -2.30 -2.51 0.00 0.00 175.55 171.19 2gsm n PRO 487 N 1.06 1.25 -0.27 -3.49 -0.02 -1.26 -4.59 135.00 127.69 2gsm n PRO 487 Ca -0.21 0.44 0.26 0.00 -2.02 0.00 0.00 63.50 61.98 2gsm n PRO 487 Cb 0.57 -1.85 0.62 0.00 -0.02 0.00 0.00 33.50 32.82 2gsm n PRO 487 CO 0.00 0.00 0.00 1.49 1.98 0.00 0.00 175.50 178.97 2gsm h GLU 488 N 1.74 0.21 0.00 -0.52 4.57 -2.01 -1.63 114.58 116.93 2gsm h GLU 488 Ca -0.41 -0.01 -0.00 0.00 -1.18 0.00 0.00 59.36 57.76 2gsm h GLU 488 Cb 1.35 -0.05 -0.00 0.00 -0.16 0.00 0.00 28.75 29.89 2gsm h GLU 488 CO 0.59 0.14 -0.01 0.00 -1.18 0.00 0.00 179.01 178.55 2gsm h ALA 489 N 1.55 1.12 -0.04 2.92 0.00 -2.05 -1.47 119.26 121.30 2gsm h ALA 489 Ca 0.53 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 55.43 2gsm h ALA 489 Cb 1.67 -0.00 0.00 0.00 0.00 0.00 0.00 17.79 19.46 2gsm h ALA 489 CO -0.14 0.01 0.00 1.19 0.00 0.00 0.00 179.25 180.31 2gsm n PHE 490 N -3.27 0.04 -0.08 0.00 3.72 -0.61 -4.47 117.46 112.78 2gsm n PHE 490 Ca -0.03 -0.02 -0.07 0.00 -0.05 0.00 0.00 57.45 57.29 2gsm n PHE 490 Cb 0.10 0.00 0.00 0.00 -0.94 0.00 0.00 39.48 38.64 2gsm n PHE 490 CO 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 176.76 176.71 2gsm h ALA 491 N 3.96 0.31 0.23 4.37 0.00 -1.44 -2.99 119.26 123.69 2gsm h ALA 491 Ca 0.00 0.07 -0.01 0.00 0.00 0.00 0.00 54.91 54.97 2gsm h ALA 491 Cb 0.21 0.11 0.00 0.00 0.00 0.00 0.00 17.79 18.11 2gsm h ALA 491 CO 0.00 -0.37 -0.11 1.15 0.00 0.00 0.00 179.25 179.92 2gsm h THR 492 N 0.14 0.78 0.00 0.00 2.02 -1.84 -1.12 112.91 112.88 2gsm h THR 492 Ca 0.15 -0.05 -0.09 0.00 0.77 0.00 0.00 66.41 67.18 2gsm h THR 492 Cb 0.18 0.82 -0.01 0.00 -1.74 0.00 0.00 68.15 67.39 2gsm h THR 492 CO -0.22 0.01 -0.42 -0.50 0.37 0.00 0.00 175.52 174.77 2gsm h TRP 493 N -0.34 0.00 -0.38 3.16 -0.00 -1.90 -1.99 115.95 114.50 2gsm h TRP 493 Ca -0.03 0.00 -0.10 0.00 -0.00 0.00 0.00 58.89 58.76 2gsm h TRP 493 Cb 0.26 0.00 -0.02 0.00 -0.00 0.00 0.00 29.16 29.40 2gsm h TRP 493 CO -0.05 0.42 -0.15 -0.91 -0.00 0.00 0.00 178.44 177.74 2gsm h ASN 494 N 0.00 0.70 -0.03 -3.49 2.35 -1.35 -1.06 115.58 112.69 2gsm h ASN 494 Ca -0.00 -0.22 -0.01 0.00 -0.55 0.00 0.00 56.30 55.52 2gsm h ASN 494 Cb 1.02 -0.19 -0.00 0.00 0.05 0.00 0.00 38.32 39.20 2gsm h ASN 494 CO 0.05 0.86 -0.00 0.15 -1.65 0.00 0.00 177.43 176.85 2gsm h PHE 495 N 0.63 0.07 -0.23 1.19 3.57 -0.85 -1.06 116.94 120.26 2gsm h PHE 495 Ca 0.10 -0.01 0.02 0.00 3.53 0.00 0.00 57.97 61.61 2gsm h PHE 495 Cb 0.62 -0.02 -0.02 0.00 2.79 0.00 0.00 35.95 39.32 2gsm h PHE 495 CO 0.03 0.36 0.09 0.28 -2.23 0.00 0.00 178.31 176.83 2gsm h VAL 496 N -0.24 0.96 -0.55 1.41 2.07 -1.35 -1.60 116.25 116.95 2gsm h VAL 496 Ca 0.01 -0.07 0.09 0.00 0.82 0.00 0.00 66.70 67.55 2gsm h VAL 496 Cb 0.33 0.74 -0.07 0.00 -1.52 0.00 0.00 31.29 30.77 2gsm h VAL 496 CO 0.00 0.04 0.16 -1.28 0.02 0.00 0.00 177.57 176.51 2gsm h SER 497 N 0.20 0.10 -0.54 0.57 0.87 -1.13 -1.00 113.55 112.62 2gsm h SER 497 Ca 0.10 0.09 -0.02 0.00 -1.23 0.00 0.00 61.79 60.73 2gsm h SER 497 Cb 0.05 0.10 -0.02 0.00 -0.44 0.00 0.00 62.40 62.08 2gsm h SER 497 CO -0.09 0.07 0.27 0.28 -0.53 0.00 0.00 176.83 176.83 2gsm h SER 498 N 0.31 0.69 -0.96 6.23 0.02 -0.83 -1.17 113.55 117.84 2gsm h SER 498 Ca 0.28 -0.12 0.05 0.00 -0.84 0.00 0.00 61.79 61.16 2gsm h SER 498 Cb 0.36 -0.18 -0.06 0.00 0.14 0.00 0.00 62.40 62.66 2gsm h SER 498 CO -0.32 0.61 0.62 -0.07 -1.14 0.00 0.00 176.83 176.54 2gsm h LEU 499 N 0.72 1.02 -0.68 5.07 3.38 -0.81 -1.41 115.31 122.60 2gsm h LEU 499 Ca 0.19 -0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.16 2gsm h LEU 499 Cb 0.10 -0.22 -0.03 0.00 0.09 0.00 0.00 40.66 40.59 2gsm h LEU 499 CO -0.03 0.68 0.44 1.23 0.09 0.00 0.00 178.44 180.85 2gsm h GLY 500 N 1.18 0.96 1.85 0.83 0.00 -0.76 -1.87 103.07 105.26 2gsm h GLY 500 Ca 0.40 -0.37 -0.05 0.00 0.00 0.00 0.00 47.33 47.31 2gsm h GLY 500 CO -0.14 0.36 -0.17 0.00 0.00 0.00 0.00 176.54 176.58 2gsm h ALA 501 N 1.24 1.50 -0.13 3.60 0.00 -0.64 -0.78 119.26 124.05 2gsm h ALA 501 Ca 0.25 -0.22 -0.13 0.00 0.00 0.00 0.00 54.91 54.80 2gsm h ALA 501 Cb -0.09 -0.07 0.00 0.00 0.00 0.00 0.00 17.79 17.63 2gsm h ALA 501 CO -0.05 0.36 -0.44 0.74 0.00 0.00 0.00 179.25 179.86 2gsm h PHE 502 N 0.17 0.69 -0.71 0.00 0.04 -0.85 -1.50 116.94 114.78 2gsm h PHE 502 Ca 0.03 -0.28 0.03 0.00 2.80 0.00 0.00 57.97 60.55 2gsm h PHE 502 Cb 0.41 -0.12 -0.05 0.00 2.20 0.00 0.00 35.95 38.40 2gsm h PHE 502 CO 0.00 1.04 0.44 1.25 -0.60 0.00 0.00 178.31 180.45 2gsm h LEU 503 N 0.14 0.72 -1.08 1.54 5.85 -1.20 -1.31 115.31 119.97 2gsm h LEU 503 Ca -0.02 0.00 -0.02 0.00 0.84 0.00 0.00 57.88 58.69 2gsm h LEU 503 Cb 1.06 -0.15 -0.04 0.00 0.37 0.00 0.00 40.66 41.90 2gsm h LEU 503 CO 0.09 0.49 0.40 0.28 -0.34 0.00 0.00 178.44 179.36 2gsm h SER 504 N 0.85 0.93 -0.16 1.25 0.02 -1.05 -0.51 113.55 114.89 2gsm h SER 504 Ca 0.29 -0.08 -0.02 0.00 -0.84 0.00 0.00 61.79 61.13 2gsm h SER 504 Cb 0.04 -0.24 -0.01 0.00 0.14 0.00 0.00 62.40 62.33 2gsm h SER 504 CO -0.12 0.76 0.01 0.15 -1.14 0.00 0.00 176.83 176.49 2gsm h PHE 505 N 1.04 0.30 -0.81 3.45 3.57 -0.97 -1.20 116.94 122.33 2gsm h PHE 505 Ca 0.26 -0.05 0.14 0.00 3.53 0.00 0.00 57.97 61.85 2gsm h PHE 505 Cb 0.04 -0.08 -0.09 0.00 2.79 0.00 0.00 35.95 38.61 2gsm h PHE 505 CO 0.01 0.48 0.39 0.00 -2.23 0.00 0.00 178.31 176.95 2gsm h ALA 506 N 0.79 1.18 -0.47 2.41 0.00 -0.92 -0.68 119.26 121.57 2gsm h ALA 506 Ca 0.05 0.09 -0.03 0.00 0.00 0.00 0.00 54.91 55.02 2gsm h ALA 506 Cb 0.35 0.01 -0.02 0.00 0.00 0.00 0.00 17.79 18.13 2gsm h ALA 506 CO 0.01 -0.12 0.16 0.66 0.00 0.00 0.00 179.25 179.95 2gsm h SER 507 N 0.56 0.62 -0.12 0.00 4.64 -0.66 -1.37 113.55 117.22 2gsm h SER 507 Ca 0.44 -0.08 -0.21 0.00 -0.47 0.00 0.00 61.79 61.46 2gsm h SER 507 Cb 0.62 -0.16 0.01 0.00 -0.31 0.00 0.00 62.40 62.56 2gsm h SER 507 CO -0.37 0.59 -0.75 0.15 -0.87 0.00 0.00 176.83 175.58 2gsm h PHE 508 N 0.67 0.98 -0.92 4.77 3.57 -0.19 -0.54 116.94 125.28 2gsm h PHE 508 Ca 0.16 -0.45 -0.01 0.00 3.53 0.00 0.00 57.97 61.20 2gsm h PHE 508 Cb 0.19 -0.14 -0.04 0.00 2.79 0.00 0.00 35.95 38.74 2gsm h PHE 508 CO 0.01 1.28 0.55 -0.07 -2.23 0.00 0.00 178.31 177.85 2gsm h LEU 509 N 0.41 1.12 -0.33 0.59 3.38 -1.05 -1.11 115.31 118.32 2gsm h LEU 509 Ca -0.06 -0.07 -0.02 0.00 0.09 0.00 0.00 57.88 57.81 2gsm h LEU 509 Cb 1.39 -0.28 -0.01 0.00 0.09 0.00 0.00 40.66 41.85 2gsm h LEU 509 CO 0.15 0.86 0.11 0.15 0.09 0.00 0.00 178.44 179.81 2gsm h PHE 510 N 1.28 0.51 -0.49 1.13 3.57 -1.15 -1.50 116.94 120.29 2gsm h PHE 510 Ca 0.33 -0.05 0.10 0.00 3.53 0.00 0.00 57.97 61.88 2gsm h PHE 510 Cb -0.04 -0.15 -0.09 0.00 2.79 0.00 0.00 35.95 38.46 2gsm h PHE 510 CO 0.00 0.51 -0.07 0.35 -2.23 0.00 0.00 178.31 176.87 2gsm h PHE 511 N 0.37 -0.17 -0.91 0.41 3.57 -0.82 0.22 116.94 119.61 2gsm h PHE 511 Ca 0.11 0.04 0.03 0.00 3.53 0.00 0.00 57.97 61.67 2gsm h PHE 511 Cb 0.23 0.15 -0.05 0.00 2.79 0.00 0.00 35.95 39.07 2gsm h PHE 511 CO 0.00 -0.17 0.59 -0.07 -2.23 0.00 0.00 178.31 176.43 2gsm h LEU 512 N 0.04 1.00 -0.64 0.59 3.38 -0.98 0.62 115.31 119.32 2gsm h LEU 512 Ca 0.24 -0.01 0.05 0.00 0.09 0.00 0.00 57.88 58.25 2gsm h LEU 512 Cb 0.37 -0.23 -0.05 0.00 0.09 0.00 0.00 40.66 40.84 2gsm h LEU 512 CO -0.47 0.70 0.36 1.23 0.09 0.00 0.00 178.44 180.35 2gsm h GLY 513 N 1.17 0.93 0.99 0.83 0.00 -0.30 0.14 103.07 106.84 2gsm h GLY 513 Ca 0.35 -0.26 -0.00 0.00 0.00 0.00 0.00 47.33 47.42 2gsm h GLY 513 CO -0.10 0.18 0.34 -2.08 0.00 0.00 0.00 176.54 174.87 2gsm h VAL 514 N 0.69 1.17 -0.34 4.60 2.07 0.66 0.36 116.25 125.45 2gsm h VAL 514 Ca 0.28 -0.39 -0.01 0.00 0.82 0.00 0.00 66.70 67.40 2gsm h VAL 514 Cb 0.14 0.41 -0.02 0.00 -1.52 0.00 0.00 31.29 30.30 2gsm h VAL 514 CO -0.16 0.18 0.18 0.40 0.02 0.00 0.00 177.57 178.19 2gsm h ILE 515 N 0.76 1.15 -0.04 4.57 1.08 -0.67 -0.02 117.51 124.33 2gsm h ILE 515 Ca 0.20 -0.39 0.01 0.00 -0.39 0.00 0.00 64.86 64.29 2gsm h ILE 515 Cb -0.01 0.78 -0.01 0.00 -3.07 0.00 0.00 36.82 34.51 2gsm h ILE 515 CO -0.04 0.15 -0.02 0.15 -0.69 0.00 0.00 178.15 177.71 2gsm h PHE 516 N 0.43 -0.04 -0.28 1.37 3.57 -0.45 -1.35 116.94 120.20 2gsm h PHE 516 Ca 0.12 0.00 0.04 0.00 3.53 0.00 0.00 57.97 61.66 2gsm h PHE 516 Cb 0.08 0.02 -0.04 0.00 2.79 0.00 0.00 35.95 38.80 2gsm h PHE 516 CO -0.02 -0.03 0.05 -0.92 -2.23 0.00 0.00 178.31 175.16 2gsm h TYR 517 N -0.01 0.09 -0.20 0.41 3.20 -0.88 -2.36 116.97 117.22 2gsm h TYR 517 Ca 0.02 0.02 0.04 0.00 3.14 0.00 0.00 58.73 61.96 2gsm h TYR 517 Cb 0.05 0.00 -0.04 0.00 1.54 0.00 0.00 36.73 38.27 2gsm h TYR 517 CO -0.12 0.02 -0.09 1.15 -1.64 0.00 0.00 178.16 177.49 2gsm h THR 518 N 0.15 0.71 0.00 1.81 2.02 -0.69 0.25 112.91 117.17 2gsm h THR 518 Ca 0.13 0.00 0.00 0.00 0.77 0.00 0.00 66.41 67.31 2gsm h THR 518 Cb 0.13 0.71 0.00 0.00 -1.74 0.00 0.00 68.15 67.25 2gsm h THR 518 CO -0.17 0.00 0.00 -0.07 0.37 0.00 0.00 175.52 175.65 2gsm h LEU 519 N -0.06 0.00 0.00 2.58 3.38 -1.12 -1.05 115.31 119.04 2gsm h LEU 519 Ca 0.11 0.00 -0.40 0.00 0.09 0.00 0.00 57.88 57.68 2gsm h LEU 519 Cb 0.22 0.00 -0.07 0.00 0.09 0.00 0.00 40.66 40.90 2gsm h LEU 519 CO -0.24 0.00 -2.46 0.41 0.09 0.00 0.00 178.44 176.24 2gsm n THR 520 N -2.56 1.46 -2.12 0.22 -1.04 -0.90 -4.81 114.28 104.53 2gsm n THR 520 Ca 0.03 -0.51 -0.01 0.00 -2.04 0.00 0.00 64.05 61.53 2gsm n THR 520 Cb 0.36 -1.52 -0.01 0.00 -1.82 0.00 0.00 70.33 67.34 2gsm n THR 520 CO 0.00 0.00 0.00 -2.11 -0.64 0.00 0.00 175.07 172.32 2gsm n ARG 521 N -3.50 0.00 -1.81 -2.82 1.85 0.85 -5.08 116.66 106.15 2gsm n ARG 521 Ca -0.47 -0.97 -0.34 0.00 -1.00 0.00 0.00 57.85 55.06 2gsm n ARG 521 Cb 0.95 -0.03 0.05 0.00 -1.05 0.00 0.00 32.46 32.38 2gsm n ARG 521 CO 0.00 0.00 0.00 0.20 -0.01 0.00 0.00 177.63 177.82 2gsm s GLY 522 N -0.97 2.41 0.20 2.89 0.00 -0.40 -4.92 107.32 106.53 2gsm s GLY 522 Ca 0.08 0.78 -0.32 0.00 0.00 0.00 0.00 44.72 45.26 2gsm s GLY 522 CO -0.04 1.16 1.19 0.00 0.00 0.00 0.00 173.10 175.41 2gsm n ALA 523 N -2.13 -0.34 -1.90 3.20 0.00 -1.22 -4.53 120.51 113.58 2gsm n ALA 523 Ca 0.12 0.44 -0.42 0.00 0.00 0.00 0.00 53.44 53.59 2gsm n ALA 523 Cb 0.51 -2.07 -0.03 0.00 0.00 0.00 0.00 19.45 17.86 2gsm n ALA 523 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 177.50 178.00 2gsm s ARG 524 N -0.52 4.21 0.00 0.00 3.52 -1.26 -0.56 118.95 124.34 2gsm s ARG 524 Ca 0.70 2.38 -0.24 0.00 -0.13 0.00 0.00 55.73 58.45 2gsm s ARG 524 Cb -0.79 -3.13 -0.05 0.00 -1.56 0.00 0.00 34.95 29.41 2gsm s ARG 524 CO 0.53 -0.58 0.71 0.08 -0.81 0.00 0.00 175.30 175.23 2gsm s VAL 525 N 0.86 4.86 -0.04 7.11 1.01 0.44 -4.81 120.40 129.83 2gsm s VAL 525 Ca 0.68 1.50 0.02 0.00 0.00 0.00 0.00 61.98 64.18 2gsm s VAL 525 Cb -0.44 -4.06 -0.04 0.00 0.00 0.00 0.00 36.38 31.85 2gsm s VAL 525 CO 0.34 0.34 -0.01 0.41 0.00 0.00 0.00 175.10 176.19 2gsm n THR 526 N 3.07 0.25 -3.64 3.92 -1.04 -1.26 -4.89 114.28 110.69 2gsm n THR 526 Ca -0.03 -0.13 -0.33 0.00 -2.04 0.00 0.00 64.05 61.52 2gsm n THR 526 Cb 0.51 -0.80 -0.05 0.00 -1.82 0.00 0.00 70.33 68.17 2gsm n THR 526 CO 0.00 0.00 0.00 0.00 -0.64 0.00 0.00 175.07 174.43 2gsm s ALA 527 N -2.09 3.77 0.15 2.41 0.00 -1.26 -4.93 121.76 119.81 2gsm s ALA 527 Ca -0.04 -0.48 -0.17 0.00 0.00 0.00 0.00 51.96 51.28 2gsm s ALA 527 Cb 0.01 -2.18 0.05 0.00 0.00 0.00 0.00 23.12 21.00 2gsm s ALA 527 CO 0.13 0.62 1.74 -0.91 0.00 0.00 0.00 175.76 177.34 2gsm h ASN 528 N 3.39 0.09 -3.72 0.00 4.21 -1.86 -3.37 115.58 114.31 2gsm h ASN 528 Ca -0.48 0.04 -0.67 0.00 1.21 0.00 0.00 56.30 56.41 2gsm h ASN 528 Cb 1.18 0.04 -0.38 0.00 -1.12 0.00 0.00 38.32 38.04 2gsm h ASN 528 CO 0.69 0.09 -0.72 0.21 -1.29 0.00 0.00 177.43 176.40 2gsm s ASN 529 N -5.34 4.74 0.00 5.81 3.84 -1.22 -4.60 114.94 118.18 2gsm s ASN 529 Ca -0.13 -1.88 0.20 0.00 0.21 0.00 0.00 52.86 51.26 2gsm s ASN 529 Cb 0.12 -1.63 0.54 0.00 -0.55 0.00 0.00 41.25 39.73 2gsm s ASN 529 CO 0.71 -0.34 1.45 0.00 -2.79 0.00 0.00 177.10 176.13 2gsm n TYR 530 N 4.36 0.46 0.00 0.43 4.11 -1.26 -4.67 117.16 120.59 2gsm n TYR 530 Ca -0.03 -0.23 0.00 0.00 -0.00 0.00 0.00 57.90 57.64 2gsm n TYR 530 Cb 0.42 0.00 0.00 0.00 -0.00 0.00 0.00 39.34 39.76 2gsm n TYR 530 CO 0.00 0.00 0.00 0.91 -0.00 0.00 0.00 176.86 177.77 2gsm n TRP 531 N 0.97 0.00 -3.79 -3.48 5.03 -1.26 -5.10 117.44 109.81 2gsm n TRP 531 Ca 0.18 0.00 -0.07 0.00 3.03 0.00 0.00 57.50 60.64 2gsm n TRP 531 Cb 0.47 0.00 -0.02 0.00 -1.03 0.00 0.00 31.31 30.73 2gsm n TRP 531 CO 0.00 0.00 0.00 0.54 -0.03 0.00 0.00 177.69 178.20 2gsm s ASN 532 N -1.00 -0.27 0.62 -0.99 2.20 -1.26 -5.04 114.94 109.20 2gsm s ASN 532 Ca 0.00 -0.50 0.33 0.00 -0.94 0.00 0.00 52.86 51.75 2gsm s ASN 532 Cb 0.00 0.66 1.85 0.00 -2.00 0.00 0.00 41.25 41.76 2gsm s ASN 532 CO 0.00 -1.20 2.13 1.05 -2.94 0.00 0.00 177.10 176.14 2gsm h GLU 533 N 2.00 0.00 -0.00 3.55 9.09 -1.95 -0.85 114.58 126.42 2gsm h GLU 533 Ca -0.21 0.00 0.00 0.00 0.05 0.00 0.00 59.36 59.20 2gsm h GLU 533 Cb 1.25 0.00 0.00 0.00 -1.65 0.00 0.00 28.75 28.35 2gsm h GLU 533 CO 0.25 0.00 -0.01 0.72 0.05 0.00 0.00 179.01 180.02 2gsm n HIS 534 N -3.44 0.00 -2.90 2.06 8.25 -1.26 -3.75 115.22 114.19 2gsm n HIS 534 Ca -0.00 0.00 -0.44 0.00 -0.26 0.00 0.00 57.72 57.02 2gsm n HIS 534 Cb 0.27 -0.16 -0.03 0.00 1.12 0.00 0.00 29.99 31.19 2gsm n HIS 534 CO 0.00 0.00 0.00 0.00 0.64 0.00 0.00 176.34 176.98 2gsm s ALA 535 N -2.32 3.30 -0.18 -1.41 0.00 -0.33 -4.00 121.76 116.82 2gsm s ALA 535 Ca 0.37 -2.62 0.17 0.00 0.00 0.00 0.00 51.96 49.87 2gsm s ALA 535 Cb 0.21 -4.05 0.47 0.00 0.00 0.00 0.00 23.12 19.75 2gsm s ALA 535 CO 0.42 -2.99 1.36 -0.40 0.00 0.00 0.00 175.76 174.15 2gsm n ASP 536 N 6.82 3.34 -5.00 0.00 5.68 -1.25 -4.84 116.55 121.31 2gsm n ASP 536 Ca 0.21 -3.12 -0.18 0.00 -0.50 0.00 0.00 54.79 51.20 2gsm n ASP 536 Cb 0.49 -0.52 0.02 0.00 -1.14 0.00 0.00 41.12 39.96 2gsm n ASP 536 CO 0.00 0.00 0.00 0.42 -1.33 0.00 0.00 177.20 176.29 2gsm s THR 537 N -2.89 2.91 0.45 2.12 -4.23 -1.26 -5.02 115.64 107.72 2gsm s THR 537 Ca 0.40 -0.94 0.21 0.00 -1.18 0.00 0.00 61.69 60.18 2gsm s THR 537 Cb 0.33 -2.97 0.24 0.00 1.34 0.00 0.00 72.50 71.45 2gsm s THR 537 CO 0.06 0.00 2.05 -0.07 -0.54 0.00 0.00 174.62 176.12 2gsm h LEU 538 N 0.52 0.00 -1.71 4.79 3.38 -1.85 -2.51 115.31 117.92 2gsm h LEU 538 Ca -0.40 0.00 -0.00 0.00 0.09 0.00 0.00 57.88 57.57 2gsm h LEU 538 Cb 1.28 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 42.02 2gsm h LEU 538 CO 0.46 0.14 0.13 1.05 0.09 0.00 0.00 178.44 180.31 2gsm h GLU 539 N 0.00 0.32 0.00 1.13 9.09 -1.96 -1.50 114.58 121.66 2gsm h GLU 539 Ca -0.00 -0.02 0.00 0.00 0.05 0.00 0.00 59.36 59.38 2gsm h GLU 539 Cb 0.29 -0.07 0.00 0.00 -1.65 0.00 0.00 28.75 27.32 2gsm h GLU 539 CO 0.02 0.24 0.00 0.91 0.05 0.00 0.00 179.01 180.22 2gsm n TRP 540 N -4.48 0.00 0.61 2.06 7.02 -0.94 -2.20 117.44 119.50 2gsm n TRP 540 Ca 0.01 0.00 0.09 0.00 -1.02 0.00 0.00 57.50 56.58 2gsm n TRP 540 Cb 0.09 0.00 -0.12 0.00 -2.42 0.00 0.00 31.31 28.86 2gsm n TRP 540 CO 0.00 0.00 0.00 2.41 -2.02 0.00 0.00 177.69 178.08 2gsm n THR 541 N -0.91 0.00 -3.71 -0.99 -1.04 -0.57 -3.40 114.28 103.66 2gsm n THR 541 Ca 0.18 -0.18 -0.22 0.00 -2.04 0.00 0.00 64.05 61.80 2gsm n THR 541 Cb 0.08 0.71 -0.04 0.00 -1.82 0.00 0.00 70.33 69.26 2gsm n THR 541 CO 0.00 0.00 0.00 -0.76 -0.64 0.00 0.00 175.07 173.67 2gsm s LEU 542 N -3.34 3.36 1.08 -4.42 1.43 -0.94 -5.05 118.68 110.81 2gsm s LEU 542 Ca 0.03 -0.77 -0.13 0.00 -1.03 0.00 0.00 54.13 52.22 2gsm s LEU 542 Cb 0.14 -1.96 0.23 0.00 0.03 0.00 0.00 46.19 44.63 2gsm s LEU 542 CO 0.78 -0.58 1.07 0.28 0.23 0.00 0.00 176.35 178.13 2gsm s THR 543 N -2.47 1.94 -0.28 5.49 -1.32 -1.26 -4.45 115.64 113.29 2gsm s THR 543 Ca 0.46 0.00 0.02 0.00 -1.21 0.00 0.00 61.69 60.95 2gsm s THR 543 Cb -0.02 -2.37 0.08 0.00 -1.51 0.00 0.00 72.50 68.67 2gsm s THR 543 CO 0.27 0.00 -0.01 -0.44 -2.21 0.00 0.00 174.62 172.23 2gsm s SER 544 N -3.25 4.18 0.91 8.08 0.01 -1.26 -2.02 113.70 120.35 2gsm s SER 544 Ca 0.67 -1.53 -0.12 0.00 1.31 0.00 0.00 55.95 56.28 2gsm s SER 544 Cb -0.19 -1.28 0.14 0.00 0.21 0.00 0.00 66.02 64.90 2gsm s SER 544 CO 0.59 -0.30 1.12 -2.16 0.41 0.00 0.00 173.24 172.90 2gsm s PRO 545 N 1.28 1.11 0.82 12.44 0.04 -1.25 -4.27 135.00 145.16 2gsm s PRO 545 Ca 0.01 0.43 -0.11 0.00 0.04 0.00 0.00 61.00 61.37 2gsm s PRO 545 Cb -0.19 -1.82 0.09 0.00 0.04 0.00 0.00 34.50 32.61 2gsm s PRO 545 CO -0.10 -2.24 1.12 -2.14 0.04 0.00 0.00 177.00 173.68 2gsm s PRO 546 N -5.16 1.80 0.75 0.56 0.02 -0.86 -4.99 135.00 127.12 2gsm s PRO 546 Ca 0.64 1.38 -0.15 0.00 0.02 0.00 0.00 61.00 62.89 2gsm s PRO 546 Cb -0.16 -1.83 0.05 0.00 0.02 0.00 0.00 34.50 32.58 2gsm s PRO 546 CO 0.55 -2.02 1.24 -2.14 -0.33 0.00 0.00 177.00 174.30 2gsm s PRO 547 N -4.67 1.99 0.27 5.54 0.02 -1.26 -4.88 135.00 132.01 2gsm s PRO 547 Ca 0.65 1.87 0.00 0.00 0.02 0.00 0.00 61.00 63.54 2gsm s PRO 547 Cb -0.21 -1.80 0.60 0.00 0.02 0.00 0.00 34.50 33.12 2gsm s PRO 547 CO 0.55 -1.98 1.72 0.93 -0.33 0.00 0.00 177.00 177.90 2gsm h GLU 548 N -0.35 0.47 -4.90 5.54 5.08 -2.03 -3.34 114.58 115.04 2gsm h GLU 548 Ca -0.48 -0.03 -0.67 0.00 -1.00 0.00 0.00 59.36 57.18 2gsm h GLU 548 Cb 1.31 -0.11 -0.30 0.00 0.50 0.00 0.00 28.75 30.16 2gsm h GLU 548 CO 0.49 0.31 -0.72 -1.01 -1.00 0.00 0.00 179.01 177.08 2gsm s HIS 549 N -5.94 3.06 0.17 4.33 3.76 -1.26 -5.03 115.29 114.38 2gsm s HIS 549 Ca -0.12 -1.32 0.06 0.00 -0.15 0.00 0.00 55.06 53.54 2gsm s HIS 549 Cb 0.23 -2.11 -0.04 0.00 1.11 0.00 0.00 32.58 31.77 2gsm s HIS 549 CO 0.78 -0.66 0.06 0.95 -0.85 0.00 0.00 174.74 175.01 2gsm s THR 550 N 1.39 4.06 0.00 1.30 -4.23 -1.26 -5.17 115.64 111.73 2gsm s THR 550 Ca 0.02 -1.28 0.00 0.00 -1.18 0.00 0.00 61.69 59.25 2gsm s THR 550 Cb -0.16 -3.06 0.00 0.00 1.34 0.00 0.00 72.50 70.62 2gsm s THR 550 CO -0.03 -0.11 0.00 0.49 -0.54 0.00 0.00 174.62 174.43