#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2ksy n VAL 2 N 0.00 0.02 0.14 2.03 0.31 -1.26 -4.61 118.33 114.96 2ksy n VAL 2 Ca 0.00 -0.01 0.04 0.00 -0.01 0.00 0.00 64.34 64.36 2ksy n VAL 2 Cb 0.00 -0.85 0.03 0.00 -0.91 0.00 0.00 33.84 32.11 2ksy n VAL 2 CO 0.00 0.00 0.00 1.23 -1.32 0.00 0.00 176.83 176.74 2ksy h GLY 3 N 0.04 0.00 1.49 2.92 0.00 -2.02 -3.31 103.07 102.19 2ksy h GLY 3 Ca -0.01 0.00 -0.20 0.00 0.00 0.00 0.00 47.33 47.12 2ksy h GLY 3 CO -0.00 0.00 -0.79 -2.00 0.00 0.00 0.00 176.54 173.75 2ksy h LEU 4 N 0.00 0.60 -1.37 3.11 5.85 -2.00 -3.17 115.31 118.33 2ksy h LEU 4 Ca -0.03 -0.41 -0.07 0.00 0.84 0.00 0.00 57.88 58.22 2ksy h LEU 4 Cb 1.32 -0.18 -0.01 0.00 0.37 0.00 0.00 40.66 42.17 2ksy h LEU 4 CO 0.05 1.18 -0.31 0.71 -0.34 0.00 0.00 178.44 179.72 2ksy h THR 5 N 0.32 1.22 -0.80 1.05 1.35 -1.82 -2.76 112.91 111.48 2ksy h THR 5 Ca -0.05 -1.08 0.15 0.00 -0.55 0.00 0.00 66.41 64.88 2ksy h THR 5 Cb 1.39 1.58 -0.06 0.00 -1.73 0.00 0.00 68.15 69.34 2ksy h THR 5 CO 0.14 0.31 0.53 0.71 -0.25 0.00 0.00 175.52 176.96 2ksy h THR 6 N 0.00 0.81 0.16 6.82 1.35 -1.63 -2.02 112.91 118.40 2ksy h THR 6 Ca -0.00 -0.17 0.01 0.00 -0.55 0.00 0.00 66.41 65.69 2ksy h THR 6 Cb 0.56 0.26 -0.02 0.00 -1.73 0.00 0.00 68.15 67.22 2ksy h THR 6 CO 0.04 0.09 -0.18 -0.07 -0.25 0.00 0.00 175.52 175.15 2ksy h LEU 7 N 0.50 -0.47 -1.44 3.87 -0.00 -1.64 -0.32 115.31 115.81 2ksy h LEU 7 Ca 0.39 0.05 0.03 0.00 -0.00 0.00 0.00 57.88 58.35 2ksy h LEU 7 Cb 0.81 0.17 -0.03 0.00 -0.00 0.00 0.00 40.66 41.61 2ksy h LEU 7 CO -0.14 -0.26 0.41 -0.26 -0.00 0.00 0.00 178.44 178.18 2ksy h PHE 8 N -0.38 0.71 -0.29 1.13 0.04 -1.53 -1.13 116.94 115.49 2ksy h PHE 8 Ca 0.01 0.02 -0.03 0.00 2.80 0.00 0.00 57.97 60.76 2ksy h PHE 8 Cb 0.36 -0.24 -0.01 0.00 2.20 0.00 0.00 35.95 38.26 2ksy h PHE 8 CO -0.15 0.42 0.07 -1.49 -0.60 0.00 0.00 178.31 176.56 2ksy h TRP 9 N 0.74 0.49 -0.74 -0.55 4.06 -0.99 -1.30 115.95 117.66 2ksy h TRP 9 Ca 0.24 -0.06 -0.01 0.00 2.06 0.00 0.00 58.89 61.12 2ksy h TRP 9 Cb 0.05 -0.14 -0.04 0.00 -1.00 0.00 0.00 29.16 28.04 2ksy h TRP 9 CO -0.00 0.54 0.42 -0.07 -3.56 0.00 0.00 178.44 175.77 2ksy h LEU 10 N 0.31 0.90 -0.99 -4.49 3.38 -0.40 -1.69 115.31 112.32 2ksy h LEU 10 Ca 0.09 -0.06 -0.08 0.00 0.09 0.00 0.00 57.88 57.92 2ksy h LEU 10 Cb 0.30 -0.23 -0.02 0.00 0.09 0.00 0.00 40.66 40.80 2ksy h LEU 10 CO 0.00 0.71 -0.11 1.23 0.09 0.00 0.00 178.44 180.36 2ksy h GLY 11 N 1.06 0.65 1.89 0.83 0.00 -0.87 -2.39 103.07 104.24 2ksy h GLY 11 Ca 0.26 -0.46 -0.08 0.00 0.00 0.00 0.00 47.33 47.05 2ksy h GLY 11 CO -0.05 0.42 -0.34 0.00 0.00 0.00 0.00 176.54 176.58 2ksy h ALA 12 N 1.33 1.31 0.33 3.60 0.00 -0.37 -0.10 119.26 125.36 2ksy h ALA 12 Ca 0.10 -0.34 -0.02 0.00 0.00 0.00 0.00 54.91 54.65 2ksy h ALA 12 Cb 0.52 -0.08 0.00 0.00 0.00 0.00 0.00 17.79 18.24 2ksy h ALA 12 CO 0.03 0.49 -0.16 0.82 0.00 0.00 0.00 179.25 180.43 2ksy h ILE 13 N 0.11 0.69 -0.15 0.00 2.04 -0.88 -0.02 117.51 119.29 2ksy h ILE 13 Ca 0.01 -0.42 -0.07 0.00 1.00 0.00 0.00 64.86 65.39 2ksy h ILE 13 Cb 0.66 0.90 -0.01 0.00 -0.74 0.00 0.00 36.82 37.63 2ksy h ILE 13 CO 0.05 0.08 -0.22 1.23 0.00 0.00 0.00 178.15 179.29 2ksy h GLY 14 N -0.68 0.29 1.08 5.37 0.00 -1.42 -2.56 103.07 105.15 2ksy h GLY 14 Ca -0.05 -0.21 -0.09 0.00 0.00 0.00 0.00 47.33 46.99 2ksy h GLY 14 CO 0.07 0.19 0.04 1.98 0.00 0.00 0.00 176.54 178.83 2ksy h MET 15 N 0.25 1.08 -0.60 4.80 -1.53 -0.89 -2.62 114.93 115.43 2ksy h MET 15 Ca 0.04 -0.33 -0.06 0.00 -3.44 0.00 0.00 59.70 55.92 2ksy h MET 15 Cb 0.53 -0.11 -0.03 0.00 -0.55 0.00 0.00 31.60 31.45 2ksy h MET 15 CO 0.04 1.03 0.15 -0.07 0.14 0.00 0.00 176.91 178.20 2ksy h LEU 16 N 0.99 0.88 -0.76 3.39 -0.00 -0.66 -0.69 115.31 118.46 2ksy h LEU 16 Ca 0.18 -0.17 0.02 0.00 -0.00 0.00 0.00 57.88 57.92 2ksy h LEU 16 Cb 0.52 -0.23 -0.04 0.00 -0.00 0.00 0.00 40.66 40.90 2ksy h LEU 16 CO 0.02 0.85 0.49 0.58 -0.00 0.00 0.00 178.44 180.38 2ksy h VAL 17 N 0.90 1.13 -0.17 1.22 2.07 -1.14 -1.68 116.25 118.58 2ksy h VAL 17 Ca 0.19 -0.33 -0.05 0.00 0.82 0.00 0.00 66.70 67.33 2ksy h VAL 17 Cb 0.32 0.09 -0.00 0.00 -1.52 0.00 0.00 31.29 30.17 2ksy h VAL 17 CO -0.00 0.18 -0.11 1.23 0.02 0.00 0.00 177.57 178.89 2ksy h GLY 18 N 0.96 0.41 0.03 2.17 0.00 -1.10 -1.33 103.07 104.20 2ksy h GLY 18 Ca 0.30 -0.38 0.13 0.00 0.00 0.00 0.00 47.33 47.38 2ksy h GLY 18 CO -0.10 0.35 0.12 -0.84 0.00 0.00 0.00 176.54 176.07 2ksy h THR 19 N 0.04 0.56 -0.10 4.70 2.02 -0.80 0.83 112.91 120.15 2ksy h THR 19 Ca 0.04 -0.08 -0.09 0.00 0.77 0.00 0.00 66.41 67.05 2ksy h THR 19 Cb 0.60 0.30 0.00 0.00 -1.74 0.00 0.00 68.15 67.32 2ksy h THR 19 CO 0.03 0.04 -0.27 -0.07 0.37 0.00 0.00 175.52 175.62 2ksy h LEU 20 N 0.23 0.41 -1.92 2.58 3.38 -1.31 -0.98 115.31 117.71 2ksy h LEU 20 Ca 0.36 -0.59 0.03 0.00 0.09 0.00 0.00 57.88 57.77 2ksy h LEU 20 Cb 0.58 -0.12 -0.01 0.00 0.09 0.00 0.00 40.66 41.20 2ksy h LEU 20 CO -0.47 0.93 0.13 0.00 0.09 0.00 0.00 178.44 179.12 2ksy h ALA 21 N 0.49 2.04 0.02 1.53 0.00 -0.52 0.16 119.26 122.98 2ksy h ALA 21 Ca -0.01 -0.01 -0.31 0.00 0.00 0.00 0.00 54.91 54.59 2ksy h ALA 21 Cb 0.89 -0.02 -0.05 0.00 0.00 0.00 0.00 17.79 18.61 2ksy h ALA 21 CO 0.06 -0.08 -1.79 1.19 0.00 0.00 0.00 179.25 178.63 2ksy n PHE 22 N -4.50 0.98 -0.02 0.00 3.72 0.22 -3.44 117.46 114.42 2ksy n PHE 22 Ca 0.01 0.33 -0.13 0.00 -0.05 0.00 0.00 57.45 57.61 2ksy n PHE 22 Cb 0.19 -1.17 -0.10 0.00 -0.94 0.00 0.00 39.48 37.46 2ksy n PHE 22 CO 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 176.76 176.71 2ksy h ALA 23 N 0.87 -0.02 -0.57 4.37 0.00 -0.68 -2.56 119.26 120.68 2ksy h ALA 23 Ca -0.32 -0.29 -0.01 0.00 0.00 0.00 0.00 54.91 54.30 2ksy h ALA 23 Cb 2.03 0.01 -0.03 0.00 0.00 0.00 0.00 17.79 19.80 2ksy h ALA 23 CO 0.08 -0.22 0.32 2.35 0.00 0.00 0.00 179.25 181.78 2ksy h TRP 24 N -0.60 0.77 0.00 0.00 2.91 -1.17 -2.05 115.95 115.81 2ksy h TRP 24 Ca -0.00 -0.02 -0.03 0.00 1.13 0.00 0.00 58.89 59.97 2ksy h TRP 24 Cb 0.58 -0.25 -0.00 0.00 -0.51 0.00 0.00 29.16 28.97 2ksy h TRP 24 CO 0.13 0.56 -0.17 0.00 -1.03 0.00 0.00 178.44 177.93 2ksy h ALA 25 N 1.15 1.26 -0.28 2.65 0.00 -1.63 -2.85 119.26 119.55 2ksy h ALA 25 Ca 0.20 -0.15 -0.17 0.00 0.00 0.00 0.00 54.91 54.79 2ksy h ALA 25 Cb 0.03 -0.03 -0.00 0.00 0.00 0.00 0.00 17.79 17.80 2ksy h ALA 25 CO -0.03 0.21 -0.47 0.78 0.00 0.00 0.00 179.25 179.73 2ksy h GLY 26 N 1.09 0.88 2.00 0.00 0.00 -0.94 -2.63 103.07 103.48 2ksy h GLY 26 Ca -0.00 -1.01 -0.06 0.00 0.00 0.00 0.00 47.33 46.26 2ksy h GLY 26 CO 0.02 0.91 -0.28 3.21 0.00 0.00 0.00 176.54 180.40 2ksy h ARG 27 N 0.57 0.00 -0.49 4.80 3.08 -1.27 -2.10 114.38 118.97 2ksy h ARG 27 Ca 0.02 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.07 2ksy h ARG 27 Cb 1.08 0.00 0.00 0.00 0.08 0.00 0.00 29.97 31.13 2ksy h ARG 27 CO 0.11 0.28 0.00 -3.47 -1.07 0.00 0.00 179.97 175.82 2ksy n ASP 28 N -3.77 2.80 -3.83 7.04 2.03 -1.13 -4.93 116.55 114.76 2ksy n ASP 28 Ca -0.01 -1.98 -0.20 0.00 0.52 0.00 0.00 54.79 53.12 2ksy n ASP 28 Cb 0.38 -0.33 0.12 0.00 -0.72 0.00 0.00 41.12 40.57 2ksy n ASP 28 CO 0.00 0.00 0.00 0.00 -1.92 0.00 0.00 177.20 175.28 2ksy n ALA 29 N 1.03 -0.38 -1.85 -1.67 0.00 -0.79 -5.06 120.51 111.80 2ksy n ALA 29 Ca 0.18 -1.49 0.00 0.00 0.00 0.00 0.00 53.44 52.12 2ksy n ALA 29 Cb 0.45 0.13 0.00 0.00 0.00 0.00 0.00 19.45 20.03 2ksy n ALA 29 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 2ksy n GLY 30 N -1.43 1.76 3.47 0.00 0.00 -1.26 -5.05 105.19 102.68 2ksy n GLY 30 Ca 0.13 -1.83 -0.34 0.00 0.00 0.00 0.00 46.02 43.98 2ksy n GLY 30 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 2ksy s SER 31 N -1.00 4.76 0.00 1.61 0.01 -1.26 -4.34 113.70 113.48 2ksy s SER 31 Ca 0.00 -0.17 0.00 0.00 1.31 0.00 0.00 55.95 57.09 2ksy s SER 31 Cb 0.00 -1.79 0.00 0.00 0.21 0.00 0.00 66.02 64.44 2ksy s SER 31 CO 0.00 0.13 0.00 0.61 0.41 0.00 0.00 173.24 174.39 2ksy n GLY 32 N 3.79 1.76 0.11 3.44 0.00 -1.26 -4.86 105.19 108.18 2ksy n GLY 32 Ca -0.17 -0.25 0.10 0.00 0.00 0.00 0.00 46.02 45.70 2ksy n GLY 32 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 2ksy n GLU 33 N 0.00 0.61 -0.27 1.61 -0.58 -1.26 -4.11 120.64 116.64 2ksy n GLU 33 Ca 0.00 0.12 0.33 0.00 -0.42 0.00 0.00 57.16 57.19 2ksy n GLU 33 Cb 0.00 -1.81 0.74 0.00 -0.57 0.00 0.00 31.44 29.80 2ksy n GLU 33 CO 0.00 0.00 0.00 0.00 -0.48 0.00 0.00 177.13 176.65 2ksy h ARG 34 N 0.00 0.00 -0.15 3.49 3.08 -1.89 0.58 114.38 119.48 2ksy h ARG 34 Ca -0.02 0.00 -0.00 0.00 0.07 0.00 0.00 59.98 60.03 2ksy h ARG 34 Cb 1.07 0.00 -0.01 0.00 0.08 0.00 0.00 29.97 31.11 2ksy h ARG 34 CO 0.01 0.00 0.09 0.00 -1.07 0.00 0.00 179.97 179.00 2ksy h ARG 35 N 0.00 0.21 -0.08 0.04 3.08 -1.97 -0.66 114.38 115.01 2ksy h ARG 35 Ca 0.52 -0.02 -0.10 0.00 0.07 0.00 0.00 59.98 60.45 2ksy h ARG 35 Cb 2.16 -0.04 -0.01 0.00 0.08 0.00 0.00 29.97 32.15 2ksy h ARG 35 CO -0.01 0.18 -0.41 1.88 -1.07 0.00 0.00 179.97 180.55 2ksy h TYR 36 N 0.18 0.19 0.24 3.04 0.05 -1.17 -2.54 116.97 116.96 2ksy h TYR 36 Ca 0.06 -0.05 -0.01 0.00 0.05 0.00 0.00 58.73 58.77 2ksy h TYR 36 Cb 0.03 -0.04 0.00 0.00 1.01 0.00 0.00 36.73 37.72 2ksy h TYR 36 CO -0.05 0.55 -0.12 1.88 -1.05 0.00 0.00 178.16 179.37 2ksy h TYR 37 N 0.14 -0.30 -0.77 4.88 0.05 -1.13 -1.56 116.97 118.28 2ksy h TYR 37 Ca 0.01 -0.01 0.07 0.00 0.05 0.00 0.00 58.73 58.86 2ksy h TYR 37 Cb 0.78 0.10 -0.05 0.00 1.01 0.00 0.00 36.73 38.57 2ksy h TYR 37 CO 0.01 0.07 0.51 0.28 -1.05 0.00 0.00 178.16 177.98 2ksy h VAL 38 N -0.80 1.00 -0.04 -2.88 2.07 -1.16 -1.04 116.25 113.41 2ksy h VAL 38 Ca -0.03 -0.27 -0.00 0.00 0.82 0.00 0.00 66.70 67.21 2ksy h VAL 38 Cb 0.51 0.15 -0.00 0.00 -1.52 0.00 0.00 31.29 30.43 2ksy h VAL 38 CO 0.05 0.14 0.01 0.74 0.02 0.00 0.00 177.57 178.54 2ksy h THR 39 N 0.78 1.18 -0.38 2.57 2.02 -1.43 -0.23 112.91 117.41 2ksy h THR 39 Ca 0.34 -0.54 0.05 0.00 0.77 0.00 0.00 66.41 67.03 2ksy h THR 39 Cb 0.31 1.47 -0.05 0.00 -1.74 0.00 0.00 68.15 68.14 2ksy h THR 39 CO -0.12 0.15 0.11 0.25 0.37 0.00 0.00 175.52 176.27 2ksy h LEU 40 N -0.14 0.08 -1.38 2.58 5.85 -0.53 -0.45 115.31 121.32 2ksy h LEU 40 Ca 0.01 0.05 -0.03 0.00 0.84 0.00 0.00 57.88 58.76 2ksy h LEU 40 Cb 0.23 0.06 -0.02 0.00 0.37 0.00 0.00 40.66 41.29 2ksy h LEU 40 CO -0.00 0.08 0.12 0.58 -0.34 0.00 0.00 178.44 178.88 2ksy h VAL 41 N 0.25 1.16 -0.91 1.05 2.07 -1.13 -2.24 116.25 116.50 2ksy h VAL 41 Ca 0.18 -0.53 0.06 0.00 0.82 0.00 0.00 66.70 67.23 2ksy h VAL 41 Cb 0.19 0.74 -0.06 0.00 -1.52 0.00 0.00 31.29 30.64 2ksy h VAL 41 CO -0.21 0.20 0.59 1.23 0.02 0.00 0.00 177.57 179.40 2ksy h GLY 42 N 0.72 1.33 0.58 2.17 0.00 0.66 0.12 103.07 108.65 2ksy h GLY 42 Ca 0.13 -0.43 -0.01 0.00 0.00 0.00 0.00 47.33 47.02 2ksy h GLY 42 CO -0.01 0.33 -0.10 -2.22 0.00 0.00 0.00 176.54 174.54 2ksy h ILE 43 N 1.07 0.88 -0.04 2.60 2.04 -0.95 -2.57 117.51 120.54 2ksy h ILE 43 Ca 0.38 -0.80 0.01 0.00 1.00 0.00 0.00 64.86 65.46 2ksy h ILE 43 Cb 0.14 1.32 -0.00 0.00 -0.74 0.00 0.00 36.82 37.54 2ksy h ILE 43 CO -0.14 0.17 0.05 0.28 0.00 0.00 0.00 178.15 178.52 2ksy h SER 44 N -0.69 0.00 0.15 1.72 0.02 -1.28 -2.32 113.55 111.15 2ksy h SER 44 Ca -0.03 0.00 -0.01 0.00 -0.84 0.00 0.00 61.79 60.91 2ksy h SER 44 Cb 0.49 0.00 0.00 0.00 0.14 0.00 0.00 62.40 63.03 2ksy h SER 44 CO 0.05 0.00 -0.07 1.23 -1.14 0.00 0.00 176.83 176.89 2ksy h GLY 45 N 0.00 -0.21 1.17 -3.77 0.00 -0.86 -2.54 103.07 96.86 2ksy h GLY 45 Ca 0.02 0.08 0.05 0.00 0.00 0.00 0.00 47.33 47.48 2ksy h GLY 45 CO -0.00 -0.08 0.43 0.16 0.00 0.00 0.00 176.54 177.06 2ksy h ILE 46 N -1.00 1.04 -0.29 2.60 3.07 -1.33 -1.97 117.51 119.64 2ksy h ILE 46 Ca -0.02 -0.24 -0.07 0.00 1.55 0.00 0.00 64.86 66.08 2ksy h ILE 46 Cb 0.38 0.27 -0.01 0.00 -0.27 0.00 0.00 36.82 37.19 2ksy h ILE 46 CO 0.03 0.13 -0.09 0.00 -1.05 0.00 0.00 178.15 177.17 2ksy h ALA 47 N 1.63 0.40 -0.68 0.16 0.00 -1.53 -2.44 119.26 116.80 2ksy h ALA 47 Ca 0.27 -0.30 0.09 0.00 0.00 0.00 0.00 54.91 54.98 2ksy h ALA 47 Cb 0.18 -0.10 -0.07 0.00 0.00 0.00 0.00 17.79 17.80 2ksy h ALA 47 CO -0.08 0.25 0.32 0.00 0.00 0.00 0.00 179.25 179.73 2ksy h ALA 48 N 0.77 0.93 -0.11 0.00 0.00 -0.91 -1.05 119.26 118.89 2ksy h ALA 48 Ca 0.07 0.06 -0.15 0.00 0.00 0.00 0.00 54.91 54.89 2ksy h ALA 48 Cb 0.59 -0.02 -0.01 0.00 0.00 0.00 0.00 17.79 18.35 2ksy h ALA 48 CO 0.03 -0.09 -0.58 -0.39 0.00 0.00 0.00 179.25 178.23 2ksy h VAL 49 N 0.55 1.36 -0.54 0.00 -1.51 -1.46 -2.39 116.25 112.26 2ksy h VAL 49 Ca 0.34 -1.89 -0.06 0.00 -1.23 0.00 0.00 66.70 63.86 2ksy h VAL 49 Cb 0.38 1.90 -0.02 0.00 -2.13 0.00 0.00 31.29 31.42 2ksy h VAL 49 CO -0.28 0.57 0.09 0.00 -1.23 0.00 0.00 177.57 176.72 2ksy h ALA 50 N 1.12 1.15 -0.10 5.19 0.00 -0.79 -1.40 119.26 124.42 2ksy h ALA 50 Ca -0.00 -0.23 -0.19 0.00 0.00 0.00 0.00 54.91 54.49 2ksy h ALA 50 Cb 1.09 -0.22 -0.00 0.00 0.00 0.00 0.00 17.79 18.66 2ksy h ALA 50 CO 0.10 0.57 -0.73 1.88 0.00 0.00 0.00 179.25 181.06 2ksy h TYR 51 N 0.81 0.67 -0.57 0.00 0.05 -1.14 -1.69 116.97 115.11 2ksy h TYR 51 Ca 0.17 -0.30 -0.09 0.00 0.05 0.00 0.00 58.73 58.56 2ksy h TYR 51 Cb 0.36 -0.10 -0.02 0.00 1.01 0.00 0.00 36.73 37.97 2ksy h TYR 51 CO 0.02 1.07 -0.01 0.00 -1.05 0.00 0.00 178.16 178.19 2ksy h ALA 52 N 0.85 0.91 0.01 3.88 0.00 -1.11 -0.98 119.26 122.82 2ksy h ALA 52 Ca -0.03 -0.30 -0.00 0.00 0.00 0.00 0.00 54.91 54.57 2ksy h ALA 52 Cb 1.32 -0.21 0.00 0.00 0.00 0.00 0.00 17.79 18.90 2ksy h ALA 52 CO 0.13 0.64 -0.00 -0.39 0.00 0.00 0.00 179.25 179.63 2ksy h VAL 53 N 0.90 1.54 -0.19 0.00 -1.51 -1.25 -2.86 116.25 112.87 2ksy h VAL 53 Ca 0.16 -1.70 0.06 0.00 -1.23 0.00 0.00 66.70 63.98 2ksy h VAL 53 Cb 0.54 2.68 -0.01 0.00 -2.13 0.00 0.00 31.29 32.37 2ksy h VAL 53 CO 0.03 0.44 0.14 0.24 -1.23 0.00 0.00 177.57 177.19 2ksy h MET 54 N -0.75 0.00 0.00 5.19 2.07 -1.33 1.00 114.93 121.11 2ksy h MET 54 Ca -0.00 0.00 -0.09 0.00 -2.07 0.00 0.00 59.70 57.54 2ksy h MET 54 Cb 0.72 0.00 -0.01 0.00 -1.87 0.00 0.00 31.60 30.44 2ksy h MET 54 CO 0.00 0.00 -0.41 0.00 1.07 0.00 0.00 176.91 177.57 2ksy h ALA 55 N 1.90 0.92 -0.00 6.32 0.00 -1.17 -2.93 119.26 124.29 2ksy h ALA 55 Ca 0.09 -0.37 0.00 0.00 0.00 0.00 0.00 54.91 54.63 2ksy h ALA 55 Cb 0.37 -0.07 0.00 0.00 0.00 0.00 0.00 17.79 18.10 2ksy h ALA 55 CO -0.00 0.51 -0.01 1.28 0.00 0.00 0.00 179.25 181.03 2ksy n LEU 56 N -3.46 0.02 0.00 0.00 4.77 0.33 -4.78 117.00 113.88 2ksy n LEU 56 Ca 0.00 0.40 0.00 0.00 -0.03 0.00 0.00 56.01 56.39 2ksy n LEU 56 Cb 0.56 -0.41 0.00 0.00 -2.33 0.00 0.00 43.42 41.24 2ksy n LEU 56 CO 0.38 0.00 0.00 0.61 -1.33 0.00 0.00 177.39 177.05 2ksy n GLY 57 N 1.42 2.55 3.77 -0.72 0.00 -1.11 -5.07 105.19 106.04 2ksy n GLY 57 Ca 0.10 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.77 2ksy n GLY 57 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2ksy s VAL 58 N -2.66 3.14 -0.43 1.61 0.11 -1.19 -3.36 120.40 117.61 2ksy s VAL 58 Ca 0.00 0.68 0.00 0.00 -2.93 0.00 0.00 61.98 59.73 2ksy s VAL 58 Cb 0.00 -3.25 0.00 0.00 -1.53 0.00 0.00 36.38 31.60 2ksy s VAL 58 CO 0.00 -0.18 0.00 0.61 -3.33 0.00 0.00 175.10 172.20 2ksy n GLY 59 N 0.07 0.33 3.18 6.54 0.00 -1.26 -4.17 105.19 109.88 2ksy n GLY 59 Ca 0.12 -0.74 -0.39 0.00 0.00 0.00 0.00 46.02 45.00 2ksy n GLY 59 CO 0.00 0.00 0.00 -0.98 0.00 0.00 0.00 173.32 172.34 2ksy s TRP 60 N -2.22 3.48 -0.41 1.61 0.52 -1.21 -1.68 118.94 119.03 2ksy s TRP 60 Ca 0.00 -2.08 -0.16 0.00 0.02 0.00 0.00 56.10 53.88 2ksy s TRP 60 Cb 0.00 -3.42 0.02 0.00 -1.15 0.00 0.00 33.47 28.92 2ksy s TRP 60 CO 0.00 -0.98 0.39 0.08 0.02 0.00 0.00 176.95 176.46 2ksy s VAL 61 N 1.18 5.15 0.31 4.03 1.01 0.33 -4.99 120.40 127.41 2ksy s VAL 61 Ca 0.07 -0.39 -0.29 0.00 0.00 0.00 0.00 61.98 61.37 2ksy s VAL 61 Cb -0.25 -3.98 -0.10 0.00 0.00 0.00 0.00 36.38 32.06 2ksy s VAL 61 CO -0.02 -0.35 1.32 -2.84 0.00 0.00 0.00 175.10 173.21 2ksy s PRO 62 N 1.99 4.36 -0.34 2.72 0.02 -1.26 -1.55 135.00 140.94 2ksy s PRO 62 Ca 0.10 2.20 -0.01 0.00 0.02 0.00 0.00 61.00 63.31 2ksy s PRO 62 Cb -0.18 -3.09 0.13 0.00 0.02 0.00 0.00 34.50 31.39 2ksy s PRO 62 CO 0.12 -0.21 0.19 0.08 -0.33 0.00 0.00 177.00 176.86 2ksy s VAL 63 N -0.89 0.09 0.00 3.83 1.01 0.59 -4.90 120.40 120.14 2ksy s VAL 63 Ca 0.51 -1.50 0.00 0.00 0.00 0.00 0.00 61.98 60.99 2ksy s VAL 63 Cb -0.39 -1.09 0.00 0.00 0.00 0.00 0.00 36.38 34.90 2ksy s VAL 63 CO 0.50 -0.93 0.00 0.00 0.00 0.00 0.00 175.10 174.67 2ksy n ALA 64 N 4.31 0.00 0.06 5.51 0.00 -1.26 -0.12 120.51 129.00 2ksy n ALA 64 Ca 0.08 0.00 0.03 0.00 0.00 0.00 0.00 53.44 53.55 2ksy n ALA 64 Cb 0.38 0.00 -0.04 0.00 0.00 0.00 0.00 19.45 19.79 2ksy n ALA 64 CO 0.00 0.00 0.00 0.39 0.00 0.00 0.00 177.50 177.89 2ksy n GLU 65 N 0.00 1.39 -3.71 0.00 1.02 -1.26 -5.03 120.64 113.05 2ksy n GLU 65 Ca 0.00 -0.04 -0.21 0.00 -0.02 0.00 0.00 57.16 56.90 2ksy n GLU 65 Cb 0.00 -1.03 -0.03 0.00 -0.02 0.00 0.00 31.44 30.36 2ksy n GLU 65 CO 0.00 0.00 0.00 -0.98 1.18 0.00 0.00 177.13 177.33 2ksy s ARG 66 N -2.15 2.80 -0.12 3.49 3.03 0.83 -5.12 118.95 121.70 2ksy s ARG 66 Ca -0.01 -1.25 -0.01 0.00 2.03 0.00 0.00 55.73 56.49 2ksy s ARG 66 Cb 0.03 -2.55 0.03 0.00 -1.03 0.00 0.00 34.95 31.44 2ksy s ARG 66 CO 0.21 0.06 -0.06 0.99 -1.13 0.00 0.00 175.30 175.37 2ksy s THR 67 N -2.29 0.97 -0.09 4.99 2.01 -1.26 -0.30 115.64 119.67 2ksy s THR 67 Ca 0.43 -0.33 -0.06 0.00 0.31 0.00 0.00 61.69 62.04 2ksy s THR 67 Cb -0.06 -1.05 -0.04 0.00 0.01 0.00 0.00 72.50 71.36 2ksy s THR 67 CO 0.28 0.30 0.14 0.68 -0.69 0.00 0.00 174.62 175.33 2ksy s VAL 68 N 1.72 5.43 -0.21 3.82 -7.23 -0.59 -4.93 120.40 118.40 2ksy s VAL 68 Ca 0.04 0.10 -0.05 0.00 -1.81 0.00 0.00 61.98 60.26 2ksy s VAL 68 Cb -0.13 -3.40 -0.02 0.00 0.56 0.00 0.00 36.38 33.39 2ksy s VAL 68 CO -0.08 0.55 -0.02 -0.36 -0.31 0.00 0.00 175.10 174.88 2ksy s PHE 69 N -1.09 3.00 0.24 2.82 0.08 -1.26 -0.52 117.98 121.25 2ksy s PHE 69 Ca 0.18 -0.64 -0.01 0.00 0.12 0.00 0.00 56.93 56.58 2ksy s PHE 69 Cb -0.12 -2.09 0.27 0.00 -0.57 0.00 0.00 43.02 40.51 2ksy s PHE 69 CO 0.07 -0.36 1.65 -0.24 -0.10 0.00 0.00 175.22 176.24 2ksy h VAL 70 N 5.52 1.28 0.00 -0.44 3.04 -1.69 -2.98 116.25 120.98 2ksy h VAL 70 Ca -0.38 -1.38 0.00 0.00 -1.01 0.00 0.00 66.70 63.93 2ksy h VAL 70 Cb 1.17 1.36 0.00 0.00 -2.01 0.00 0.00 31.29 31.82 2ksy h VAL 70 CO 0.60 0.45 0.00 -0.65 -1.01 0.00 0.00 177.57 176.96 2ksy h PRO 71 N 0.52 0.00 0.30 4.17 0.11 -1.91 -2.64 132.00 132.56 2ksy h PRO 71 Ca 0.07 0.00 -0.01 0.00 0.11 0.00 0.00 66.00 66.16 2ksy h PRO 71 Cb 0.76 0.00 0.00 0.00 0.11 0.00 0.00 31.00 31.87 2ksy h PRO 71 CO 0.06 0.00 -0.15 -0.09 -0.21 0.00 0.00 178.00 177.61 2ksy h ARG 72 N 0.00 -0.39 -0.00 1.05 2.43 -1.86 0.13 114.38 115.73 2ksy h ARG 72 Ca 0.00 0.03 -0.13 0.00 -0.81 0.00 0.00 59.98 59.07 2ksy h ARG 72 Cb 0.57 0.09 -0.02 0.00 -0.42 0.00 0.00 29.97 30.19 2ksy h ARG 72 CO 0.00 -0.06 -0.61 1.88 -1.51 0.00 0.00 179.97 179.67 2ksy h TYR 73 N -0.84 0.02 -0.18 2.20 0.05 -1.63 -2.79 116.97 113.80 2ksy h TYR 73 Ca -0.04 -0.01 -0.20 0.00 0.05 0.00 0.00 58.73 58.54 2ksy h TYR 73 Cb 0.52 -0.00 0.00 0.00 1.01 0.00 0.00 36.73 38.26 2ksy h TYR 73 CO 0.04 0.62 -0.67 0.97 -1.05 0.00 0.00 178.16 178.06 2ksy h ILE 74 N 0.01 1.30 -0.89 -2.88 -0.00 -1.51 -2.53 117.51 111.02 2ksy h ILE 74 Ca -0.01 -1.91 0.03 0.00 -0.00 0.00 0.00 64.86 62.97 2ksy h ILE 74 Cb 1.08 1.88 -0.05 0.00 -0.00 0.00 0.00 36.82 39.73 2ksy h ILE 74 CO 0.08 0.60 0.59 -0.78 -0.00 0.00 0.00 178.15 178.64 2ksy h ASP 75 N 0.50 0.98 -0.44 2.19 3.58 -0.58 -0.96 116.42 121.70 2ksy h ASP 75 Ca -0.02 -0.01 -0.08 0.00 0.42 0.00 0.00 57.03 57.33 2ksy h ASP 75 Cb 1.27 -0.23 -0.02 0.00 1.72 0.00 0.00 39.33 42.07 2ksy h ASP 75 CO 0.13 0.68 -0.03 -0.50 -2.88 0.00 0.00 179.24 176.65 2ksy h TRP 76 N 1.14 0.92 -0.06 0.28 6.55 -1.35 0.18 115.95 123.62 2ksy h TRP 76 Ca 0.35 -0.15 -0.03 0.00 0.95 0.00 0.00 58.89 60.01 2ksy h TRP 76 Cb -0.02 -0.25 -0.01 0.00 -0.86 0.00 0.00 29.16 28.02 2ksy h TRP 76 CO -0.00 0.85 -0.08 0.82 -1.05 0.00 0.00 178.44 178.98 2ksy h ILE 77 N 0.79 1.10 0.00 1.49 2.04 -0.76 0.37 117.51 122.53 2ksy h ILE 77 Ca 0.15 -0.43 0.00 0.00 1.00 0.00 0.00 64.86 65.57 2ksy h ILE 77 Cb 0.51 1.15 0.00 0.00 -0.74 0.00 0.00 36.82 37.74 2ksy h ILE 77 CO 0.03 0.13 -1.19 0.18 0.00 0.00 0.00 178.15 177.29 2ksy n LEU 78 N -4.39 0.68 -0.12 1.44 4.77 -0.77 -4.35 117.00 114.26 2ksy n LEU 78 Ca -0.02 0.26 -0.22 0.00 -0.03 0.00 0.00 56.01 55.99 2ksy n LEU 78 Cb 0.19 -0.05 -0.07 0.00 -2.33 0.00 0.00 43.42 41.15 2ksy n LEU 78 CO 0.36 -0.15 -1.17 0.35 -1.33 0.00 0.00 177.39 175.45 2ksy n THR 79 N -2.57 1.45 -0.11 -5.08 -2.24 0.58 -4.32 114.28 101.98 2ksy n THR 79 Ca -0.01 -0.21 -0.07 0.00 -2.27 0.00 0.00 64.05 61.49 2ksy n THR 79 Cb 0.55 -1.99 -0.01 0.00 -2.10 0.00 0.00 70.33 66.78 2ksy n THR 79 CO 0.00 0.00 0.00 0.74 -0.57 0.00 0.00 175.07 175.24 2ksy h THR 80 N -0.94 0.26 -0.00 4.28 2.02 -0.50 0.19 112.91 118.23 2ksy h THR 80 Ca -0.47 0.00 0.00 0.00 0.77 0.00 0.00 66.41 66.72 2ksy h THR 80 Cb 1.39 0.26 -0.00 0.00 -1.74 0.00 0.00 68.15 68.06 2ksy h THR 80 CO -0.28 0.00 0.01 -0.65 0.37 0.00 0.00 175.52 174.97 2ksy h PRO 81 N -0.24 0.00 0.02 6.66 0.11 -1.76 -0.63 132.00 136.16 2ksy h PRO 81 Ca 0.17 0.00 -0.21 0.00 0.11 0.00 0.00 66.00 66.07 2ksy h PRO 81 Cb 0.52 0.00 -0.01 0.00 0.11 0.00 0.00 31.00 31.62 2ksy h PRO 81 CO -0.52 0.00 -0.94 1.25 -0.21 0.00 0.00 178.00 177.58 2ksy h LEU 82 N 0.00 0.28 0.22 2.35 5.85 -0.86 -1.94 115.31 121.21 2ksy h LEU 82 Ca 0.00 -0.24 -0.01 0.00 0.84 0.00 0.00 57.88 58.47 2ksy h LEU 82 Cb 0.02 -0.09 0.00 0.00 0.37 0.00 0.00 40.66 40.96 2ksy h LEU 82 CO -0.00 1.08 -0.11 0.40 -0.34 0.00 0.00 178.44 179.47 2ksy h ILE 83 N 0.10 0.84 -0.10 4.05 1.08 0.03 -1.34 117.51 122.17 2ksy h ILE 83 Ca -0.06 -0.76 0.00 0.00 -0.39 0.00 0.00 64.86 63.65 2ksy h ILE 83 Cb 1.60 1.25 -0.01 0.00 -3.07 0.00 0.00 36.82 36.60 2ksy h ILE 83 CO 0.15 0.16 0.07 -0.37 -0.69 0.00 0.00 178.15 177.46 2ksy h VAL 84 N -0.71 1.02 -0.09 1.67 -1.51 -1.56 0.11 116.25 115.18 2ksy h VAL 84 Ca -0.03 -0.05 -0.07 0.00 -1.23 0.00 0.00 66.70 65.32 2ksy h VAL 84 Cb 0.49 0.88 -0.01 0.00 -2.13 0.00 0.00 31.29 30.52 2ksy h VAL 84 CO 0.05 0.02 -0.27 0.22 -1.23 0.00 0.00 177.57 176.36 2ksy h TYR 85 N 0.13 0.18 0.11 5.19 3.20 -1.16 -1.57 116.97 123.05 2ksy h TYR 85 Ca 0.04 -0.03 -0.01 0.00 3.14 0.00 0.00 58.73 61.87 2ksy h TYR 85 Cb -0.01 -0.05 0.00 0.00 1.54 0.00 0.00 36.73 38.21 2ksy h TYR 85 CO -0.00 0.43 -0.05 0.35 -1.64 0.00 0.00 178.16 177.25 2ksy h PHE 86 N 0.15 -0.13 -0.58 -3.82 3.04 0.39 -1.36 116.94 114.62 2ksy h PHE 86 Ca 0.02 -0.00 -0.01 0.00 3.98 0.00 0.00 57.97 61.96 2ksy h PHE 86 Cb 0.57 0.04 -0.03 0.00 2.56 0.00 0.00 35.95 39.09 2ksy h PHE 86 CO 0.01 0.10 0.34 -0.07 -2.02 0.00 0.00 178.31 176.67 2ksy h LEU 87 N -0.36 0.69 -1.42 0.59 4.07 -1.32 -1.28 115.31 116.28 2ksy h LEU 87 Ca -0.01 -0.04 -0.06 0.00 0.08 0.00 0.00 57.88 57.85 2ksy h LEU 87 Cb 0.30 -0.18 -0.01 0.00 1.08 0.00 0.00 40.66 41.85 2ksy h LEU 87 CO 0.02 0.54 -0.28 1.23 -1.08 0.00 0.00 178.44 178.88 2ksy h GLY 88 N 0.85 0.00 0.97 0.83 0.00 -1.04 -2.88 103.07 101.80 2ksy h GLY 88 Ca 0.21 0.00 -0.14 0.00 0.00 0.00 0.00 47.33 47.39 2ksy h GLY 88 CO -0.04 0.00 -0.44 1.41 0.00 0.00 0.00 176.54 177.47 2ksy h LEU 89 N 0.00 0.73 -0.81 3.11 3.38 -0.08 -0.22 115.31 121.42 2ksy h LEU 89 Ca -0.00 -0.56 0.08 0.00 0.09 0.00 0.00 57.88 57.49 2ksy h LEU 89 Cb 0.58 -0.21 -0.07 0.00 0.09 0.00 0.00 40.66 41.05 2ksy h LEU 89 CO 0.04 1.16 0.48 -0.07 0.09 0.00 0.00 178.44 180.13 2ksy h LEU 90 N 0.34 0.71 0.09 1.67 3.38 -1.26 -2.94 115.31 117.30 2ksy h LEU 90 Ca 0.00 0.03 -0.13 0.00 0.09 0.00 0.00 57.88 57.87 2ksy h LEU 90 Cb 1.05 -0.11 0.01 0.00 0.09 0.00 0.00 40.66 41.70 2ksy h LEU 90 CO 0.10 0.43 -0.57 0.00 0.09 0.00 0.00 178.44 178.49 2ksy h ALA 91 N 1.42 -0.05 -0.23 1.53 0.00 -1.53 -3.45 119.26 116.94 2ksy h ALA 91 Ca 0.37 -0.62 0.00 0.00 0.00 0.00 0.00 54.91 54.66 2ksy h ALA 91 Cb 0.27 0.06 0.00 0.00 0.00 0.00 0.00 17.79 18.12 2ksy h ALA 91 CO -0.21 0.27 0.00 0.41 0.00 0.00 0.00 179.25 179.72 2ksy n GLY 92 N 1.55 0.52 3.45 0.00 0.00 -0.12 -4.58 105.19 106.02 2ksy n GLY 92 Ca -0.12 -0.10 -0.29 0.00 0.00 0.00 0.00 46.02 45.51 2ksy n GLY 92 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 2ksy s LEU 93 N -0.23 0.39 0.56 0.99 1.02 -1.09 -5.03 118.68 115.29 2ksy s LEU 93 Ca 0.00 1.34 -0.02 0.00 0.02 0.00 0.00 54.13 55.48 2ksy s LEU 93 Cb 0.00 -3.15 0.02 0.00 0.02 0.00 0.00 46.19 43.09 2ksy s LEU 93 CO 0.00 -4.45 0.82 -0.62 0.02 0.00 0.00 176.35 172.11 2ksy s ASP 94 N -2.67 5.39 0.39 2.29 2.15 -1.26 -4.90 116.67 118.06 2ksy s ASP 94 Ca 0.68 0.29 0.12 0.00 0.43 0.00 0.00 52.55 54.07 2ksy s ASP 94 Cb -0.23 -1.24 0.92 0.00 -0.30 0.00 0.00 42.92 42.08 2ksy s ASP 94 CO 0.63 -1.10 1.92 -1.28 -0.17 0.00 0.00 175.17 175.17 2ksy h SER 95 N -0.02 0.52 0.02 -0.34 0.87 -2.00 -1.73 113.55 110.85 2ksy h SER 95 Ca -0.44 0.02 -0.00 0.00 -1.23 0.00 0.00 61.79 60.14 2ksy h SER 95 Cb 1.28 -0.08 0.00 0.00 -0.44 0.00 0.00 62.40 63.16 2ksy h SER 95 CO 0.57 0.28 -0.01 0.03 -0.53 0.00 0.00 176.83 177.17 2ksy h ARG 96 N 0.56 -0.02 -0.68 2.24 2.47 -2.00 -3.04 114.38 113.91 2ksy h ARG 96 Ca 0.37 0.00 0.12 0.00 -1.26 0.00 0.00 59.98 59.21 2ksy h ARG 96 Cb 0.67 0.00 -0.09 0.00 -1.65 0.00 0.00 29.97 28.91 2ksy h ARG 96 CO -0.14 0.64 0.25 0.93 0.56 0.00 0.00 179.97 182.22 2ksy h GLU 97 N -0.71 0.39 -0.35 0.04 5.08 -1.82 -1.38 114.58 115.83 2ksy h GLU 97 Ca -0.00 -0.02 0.01 0.00 -1.00 0.00 0.00 59.36 58.34 2ksy h GLU 97 Cb 0.67 -0.09 -0.02 0.00 0.50 0.00 0.00 28.75 29.81 2ksy h GLU 97 CO 0.00 0.26 0.22 0.74 -1.00 0.00 0.00 179.01 179.23 2ksy h PHE 98 N 0.41 0.41 -0.20 4.33 0.04 -1.42 -1.77 116.94 118.74 2ksy h PHE 98 Ca 0.36 0.01 0.06 0.00 2.80 0.00 0.00 57.97 61.20 2ksy h PHE 98 Cb 0.51 -0.13 -0.01 0.00 2.20 0.00 0.00 35.95 38.52 2ksy h PHE 98 CO -0.18 0.25 0.16 0.78 -0.60 0.00 0.00 178.31 178.72 2ksy h GLY 99 N 0.44 0.00 0.42 -1.45 0.00 -1.15 -1.23 103.07 100.11 2ksy h GLY 99 Ca 0.13 0.00 -0.03 0.00 0.00 0.00 0.00 47.33 47.43 2ksy h GLY 99 CO -0.05 0.00 -0.11 -2.22 0.00 0.00 0.00 176.54 174.17 2ksy h ILE 100 N 0.00 1.52 -0.42 2.60 2.04 -0.71 -2.69 117.51 119.85 2ksy h ILE 100 Ca 0.09 -1.68 -0.11 0.00 1.00 0.00 0.00 64.86 64.17 2ksy h ILE 100 Cb 0.41 2.58 -0.01 0.00 -0.74 0.00 0.00 36.82 39.06 2ksy h ILE 100 CO -0.00 0.45 -0.16 -0.37 0.00 0.00 0.00 178.15 178.07 2ksy h VAL 101 N -0.53 1.28 -0.05 1.67 -1.51 -1.06 -2.46 116.25 113.58 2ksy h VAL 101 Ca -0.01 -1.29 -0.00 0.00 -1.23 0.00 0.00 66.70 64.17 2ksy h VAL 101 Cb 0.79 1.23 -0.00 0.00 -2.13 0.00 0.00 31.29 31.18 2ksy h VAL 101 CO 0.02 0.43 0.02 0.40 -1.23 0.00 0.00 177.57 177.21 2ksy h ILE 102 N 0.66 1.16 -0.49 7.19 1.08 -1.35 -2.70 117.51 123.05 2ksy h ILE 102 Ca 0.10 -0.48 0.01 0.00 -0.39 0.00 0.00 64.86 64.10 2ksy h ILE 102 Cb 0.71 1.40 -0.03 0.00 -3.07 0.00 0.00 36.82 35.83 2ksy h ILE 102 CO 0.05 0.13 0.33 0.00 -0.69 0.00 0.00 178.15 177.97 2ksy h THR 103 N -0.11 1.11 0.15 -0.27 1.03 -1.51 -2.03 112.91 111.29 2ksy h THR 103 Ca 0.02 -0.22 0.01 0.00 -0.01 0.00 0.00 66.41 66.21 2ksy h THR 103 Cb 0.20 0.41 -0.03 0.00 -1.07 0.00 0.00 68.15 67.66 2ksy h THR 103 CO -0.00 0.12 -0.23 0.25 -0.01 0.00 0.00 175.52 175.64 2ksy h LEU 104 N 0.64 -0.65 -1.60 0.00 7.12 -1.16 -1.65 115.31 118.01 2ksy h LEU 104 Ca 0.19 0.07 0.05 0.00 0.13 0.00 0.00 57.88 58.32 2ksy h LEU 104 Cb -0.03 0.24 -0.03 0.00 -0.53 0.00 0.00 40.66 40.31 2ksy h LEU 104 CO -0.04 -0.33 0.34 0.78 -0.13 0.00 0.00 178.44 179.06 2ksy h ASN 105 N -0.46 0.44 -0.69 1.25 -0.26 -1.12 -1.82 115.58 112.92 2ksy h ASN 105 Ca 0.02 -0.00 0.06 0.00 -0.56 0.00 0.00 56.30 55.82 2ksy h ASN 105 Cb 0.46 -0.10 -0.06 0.00 -1.06 0.00 0.00 38.32 37.57 2ksy h ASN 105 CO -0.11 0.29 0.39 0.74 -1.06 0.00 0.00 177.43 177.68 2ksy h THR 106 N 0.50 0.96 -0.45 2.81 2.02 -0.61 0.05 112.91 118.19 2ksy h THR 106 Ca 0.22 -0.24 -0.09 0.00 0.77 0.00 0.00 66.41 67.07 2ksy h THR 106 Cb 0.22 0.20 -0.02 0.00 -1.74 0.00 0.00 68.15 66.81 2ksy h THR 106 CO -0.06 0.13 -0.05 0.58 0.37 0.00 0.00 175.52 176.49 2ksy h VAL 107 N 0.70 1.27 0.01 3.16 2.07 -0.96 -1.91 116.25 120.59 2ksy h VAL 107 Ca 0.31 -1.14 0.01 0.00 0.82 0.00 0.00 66.70 66.71 2ksy h VAL 107 Cb 0.21 1.09 -0.02 0.00 -1.52 0.00 0.00 31.29 31.05 2ksy h VAL 107 CO -0.19 0.39 -0.08 0.58 0.02 0.00 0.00 177.57 178.29 2ksy h VAL 108 N 0.67 0.79 -0.51 2.57 2.07 -0.99 -0.46 116.25 120.40 2ksy h VAL 108 Ca 0.12 0.00 -0.07 0.00 0.82 0.00 0.00 66.70 67.57 2ksy h VAL 108 Cb 0.57 0.79 -0.02 0.00 -1.52 0.00 0.00 31.29 31.11 2ksy h VAL 108 CO 0.03 0.00 0.02 0.24 0.02 0.00 0.00 177.57 177.88 2ksy h MET 109 N -0.14 0.85 -0.09 1.57 2.86 -1.01 -2.47 114.93 116.50 2ksy h MET 109 Ca 0.03 -0.23 -0.08 0.00 -2.06 0.00 0.00 59.70 57.36 2ksy h MET 109 Cb 0.18 -0.10 -0.01 0.00 0.06 0.00 0.00 31.60 31.73 2ksy h MET 109 CO -0.08 0.84 -0.29 1.25 1.06 0.00 0.00 176.91 179.69 2ksy h LEU 110 N 0.79 0.16 0.19 1.22 5.85 -1.04 -0.36 115.31 122.12 2ksy h LEU 110 Ca 0.15 -0.05 -0.01 0.00 0.84 0.00 0.00 57.88 58.82 2ksy h LEU 110 Cb 0.45 -0.04 0.00 0.00 0.37 0.00 0.00 40.66 41.44 2ksy h LEU 110 CO 0.02 0.46 -0.09 0.00 -0.34 0.00 0.00 178.44 178.48 2ksy h ALA 111 N 1.56 -0.26 -0.09 1.25 0.00 -0.63 -2.56 119.26 118.54 2ksy h ALA 111 Ca 0.02 -0.16 -0.07 0.00 0.00 0.00 0.00 54.91 54.70 2ksy h ALA 111 Cb 0.60 0.10 -0.01 0.00 0.00 0.00 0.00 17.79 18.48 2ksy h ALA 111 CO 0.04 -0.51 -0.27 0.78 0.00 0.00 0.00 179.25 179.30 2ksy h GLY 112 N -0.53 0.17 0.00 0.00 0.00 -1.39 -0.09 103.07 101.24 2ksy h GLY 112 Ca -0.03 -0.12 0.00 0.00 0.00 0.00 0.00 47.33 47.18 2ksy h GLY 112 CO 0.04 0.11 0.00 0.33 0.00 0.00 0.00 176.54 177.03 2ksy n PHE 113 N -4.17 0.00 0.30 5.60 -0.00 -0.16 -2.43 117.46 116.60 2ksy n PHE 113 Ca -0.01 0.00 0.18 0.00 -0.00 0.00 0.00 57.45 57.62 2ksy n PHE 113 Cb 0.36 -0.47 0.88 0.00 -0.00 0.00 0.00 39.48 40.25 2ksy n PHE 113 CO 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 176.76 176.76 2ksy h ALA 114 N -1.87 1.00 0.22 3.13 0.00 -1.51 -2.97 119.26 117.25 2ksy h ALA 114 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.91 2ksy h ALA 114 Cb 0.00 0.00 -0.02 0.00 0.00 0.00 0.00 17.79 17.77 2ksy h ALA 114 CO 0.00 0.00 -0.20 0.78 0.00 0.00 0.00 179.25 179.83 2ksy h GLY 115 N 0.85 -0.44 2.00 0.00 0.00 -0.65 -2.32 103.07 102.50 2ksy h GLY 115 Ca 0.00 0.23 0.00 0.00 0.00 0.00 0.00 47.33 47.56 2ksy h GLY 115 CO 0.00 -0.19 0.00 0.00 0.00 0.00 0.00 176.54 176.35 2ksy n ALA 116 N -2.44 2.12 0.93 3.60 0.00 -1.04 -3.11 120.51 120.58 2ksy n ALA 116 Ca -0.08 0.01 0.03 0.00 0.00 0.00 0.00 53.44 53.40 2ksy n ALA 116 Cb 0.24 -1.45 0.11 0.00 0.00 0.00 0.00 19.45 18.35 2ksy n ALA 116 CO 0.00 0.00 0.00 -1.33 0.00 0.00 0.00 177.50 176.17 2ksy n MET 117 N -2.30 1.81 -3.18 0.00 2.00 -0.89 -4.89 117.12 109.68 2ksy n MET 117 Ca 0.05 -0.91 -0.37 0.00 0.00 0.00 0.00 57.70 56.47 2ksy n MET 117 Cb 0.38 -1.39 -0.06 0.00 0.00 0.00 0.00 33.22 32.15 2ksy n MET 117 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 175.97 176.11 2ksy s VAL 118 N -1.64 4.64 -2.20 2.03 -7.23 -1.13 -4.97 120.40 109.90 2ksy s VAL 118 Ca 0.16 1.23 0.26 0.00 -1.81 0.00 0.00 61.98 61.83 2ksy s VAL 118 Cb 0.10 -3.88 0.32 0.00 0.56 0.00 0.00 36.38 33.48 2ksy s VAL 118 CO 0.09 0.33 1.53 -0.81 -0.31 0.00 0.00 175.10 175.93 2ksy n PRO 119 N 1.07 1.35 0.00 4.82 -0.04 -1.26 -4.91 135.00 136.03 2ksy n PRO 119 Ca -0.05 -0.89 0.00 0.00 -0.04 0.00 0.00 63.50 62.52 2ksy n PRO 119 Cb 0.51 -1.48 0.00 0.00 -0.04 0.00 0.00 33.50 32.49 2ksy n PRO 119 CO 0.00 0.00 0.00 0.41 -0.04 0.00 0.00 175.50 175.87 2ksy n GLY 120 N 1.29 3.22 0.04 0.55 0.00 -1.26 -5.04 105.19 103.99 2ksy n GLY 120 Ca 0.14 -0.34 0.02 0.00 0.00 0.00 0.00 46.02 45.85 2ksy n GLY 120 CO 0.00 0.00 0.00 0.29 0.00 0.00 0.00 173.32 173.61 2ksy n ILE 121 N 0.00 1.06 0.30 -0.61 -5.35 -1.26 -4.70 119.36 108.79 2ksy n ILE 121 Ca 0.00 -1.15 0.19 0.00 -0.27 0.00 0.00 62.75 61.52 2ksy n ILE 121 Cb 0.00 0.37 1.01 0.00 -1.74 0.00 0.00 39.64 39.29 2ksy n ILE 121 CO 0.00 0.00 0.00 -0.33 -1.76 0.00 0.00 176.55 174.46 2ksy h GLU 122 N 0.00 0.00 -0.88 6.28 5.08 -1.94 -2.53 114.58 120.60 2ksy h GLU 122 Ca 0.00 0.00 0.21 0.00 -1.00 0.00 0.00 59.36 58.57 2ksy h GLU 122 Cb 0.73 0.00 -0.06 0.00 0.50 0.00 0.00 28.75 29.92 2ksy h GLU 122 CO 0.00 0.00 0.59 0.07 -1.00 0.00 0.00 179.01 178.67 2ksy h ARG 123 N 0.00 0.30 -0.18 2.33 0.11 -1.84 0.12 114.38 115.22 2ksy h ARG 123 Ca 0.00 -0.02 -0.09 0.00 0.10 0.00 0.00 59.98 59.97 2ksy h ARG 123 Cb 0.06 -0.07 -0.01 0.00 1.11 0.00 0.00 29.97 31.06 2ksy h ARG 123 CO 0.00 0.20 -0.30 1.88 0.10 0.00 0.00 179.97 181.85 2ksy h TYR 124 N 0.31 0.39 0.24 4.08 0.05 -1.79 -1.14 116.97 119.11 2ksy h TYR 124 Ca 0.45 -0.08 -0.01 0.00 0.05 0.00 0.00 58.73 59.14 2ksy h TYR 124 Cb 1.26 -0.09 0.00 0.00 1.01 0.00 0.00 36.73 38.91 2ksy h TYR 124 CO -0.00 0.61 -0.12 0.00 -1.05 0.00 0.00 178.16 177.60 2ksy h ALA 125 N 1.39 -0.32 -0.38 3.88 0.00 -0.97 0.54 119.26 123.39 2ksy h ALA 125 Ca 0.04 -0.18 0.06 0.00 0.00 0.00 0.00 54.91 54.83 2ksy h ALA 125 Cb 0.68 0.12 -0.05 0.00 0.00 0.00 0.00 17.79 18.54 2ksy h ALA 125 CO 0.05 -0.36 0.07 -0.07 0.00 0.00 0.00 179.25 178.94 2ksy h LEU 126 N -0.96 0.00 -1.17 0.00 3.38 -1.47 -0.38 115.31 114.72 2ksy h LEU 126 Ca -0.03 0.07 -0.08 0.00 0.09 0.00 0.00 57.88 57.92 2ksy h LEU 126 Cb 0.47 0.09 -0.01 0.00 0.09 0.00 0.00 40.66 41.30 2ksy h LEU 126 CO 0.05 0.04 -0.37 0.15 0.09 0.00 0.00 178.44 178.40 2ksy h PHE 127 N 0.20 0.09 -0.52 1.13 3.57 -1.30 -2.38 116.94 117.73 2ksy h PHE 127 Ca 0.18 -0.02 0.10 0.00 3.53 0.00 0.00 57.97 61.77 2ksy h PHE 127 Cb 0.22 -0.02 -0.10 0.00 2.79 0.00 0.00 35.95 38.84 2ksy h PHE 127 CO -0.20 0.44 -0.16 0.78 -2.23 0.00 0.00 178.31 176.94 2ksy h GLY 128 N 1.14 0.31 2.00 2.40 0.00 0.89 0.62 103.07 110.43 2ksy h GLY 128 Ca 0.01 0.21 -0.09 0.00 0.00 0.00 0.00 47.33 47.45 2ksy h GLY 128 CO 0.05 -0.21 -0.45 0.00 0.00 0.00 0.00 176.54 175.94 2ksy h MET 129 N -0.04 0.00 -0.84 4.80 -0.00 -1.33 -2.90 114.93 114.62 2ksy h MET 129 Ca 0.25 0.00 0.01 0.00 -0.00 0.00 0.00 59.70 59.95 2ksy h MET 129 Cb 0.41 0.00 -0.04 0.00 -0.00 0.00 0.00 31.60 31.97 2ksy h MET 129 CO -0.55 0.45 0.55 0.78 -0.00 0.00 0.00 176.91 178.14 2ksy h GLY 130 N 1.72 1.19 0.49 -3.00 0.00 0.62 0.31 103.07 104.39 2ksy h GLY 130 Ca -0.00 -0.45 -0.01 0.00 0.00 0.00 0.00 47.33 46.87 2ksy h GLY 130 CO 0.06 0.44 -0.03 0.00 0.00 0.00 0.00 176.54 177.01 2ksy h ALA 131 N 1.30 0.03 -0.68 3.60 0.00 -0.56 0.01 119.26 122.96 2ksy h ALA 131 Ca 0.31 -0.29 0.05 0.00 0.00 0.00 0.00 54.91 54.98 2ksy h ALA 131 Cb -0.12 -0.00 -0.05 0.00 0.00 0.00 0.00 17.79 17.61 2ksy h ALA 131 CO -0.07 -0.17 0.40 0.28 0.00 0.00 0.00 179.25 179.69 2ksy h VAL 132 N -0.48 1.01 -0.19 0.00 2.07 -1.38 -0.77 116.25 116.51 2ksy h VAL 132 Ca 0.00 -0.26 -0.07 0.00 0.82 0.00 0.00 66.70 67.19 2ksy h VAL 132 Cb 0.58 0.20 -0.01 0.00 -1.52 0.00 0.00 31.29 30.54 2ksy h VAL 132 CO 0.01 0.14 -0.19 0.00 0.02 0.00 0.00 177.57 177.54 2ksy h ALA 133 N 1.33 1.32 0.40 1.67 0.00 -0.38 -2.48 119.26 121.11 2ksy h ALA 133 Ca 0.29 -0.28 -0.01 0.00 0.00 0.00 0.00 54.91 54.91 2ksy h ALA 133 Cb 0.13 -0.10 -0.00 0.00 0.00 0.00 0.00 17.79 17.81 2ksy h ALA 133 CO -0.16 0.46 -0.24 0.35 0.00 0.00 0.00 179.25 179.67 2ksy h PHE 134 N 0.31 -0.61 -0.31 0.00 3.57 0.47 -1.41 116.94 118.96 2ksy h PHE 134 Ca 0.05 -0.01 0.08 0.00 3.53 0.00 0.00 57.97 61.63 2ksy h PHE 134 Cb 0.52 0.22 -0.01 0.00 2.79 0.00 0.00 35.95 39.46 2ksy h PHE 134 CO 0.01 -0.37 0.22 0.82 -2.23 0.00 0.00 178.31 176.76 2ksy h ILE 135 N -0.60 0.87 -0.61 1.41 2.04 -1.26 0.46 117.51 119.81 2ksy h ILE 135 Ca -0.05 -0.02 -0.04 0.00 1.00 0.00 0.00 64.86 65.76 2ksy h ILE 135 Cb 0.49 0.82 -0.03 0.00 -0.74 0.00 0.00 36.82 37.36 2ksy h ILE 135 CO 0.05 0.01 0.23 1.23 0.00 0.00 0.00 178.15 179.67 2ksy h GLY 136 N 0.05 0.96 0.43 5.37 0.00 -0.81 -0.31 103.07 108.75 2ksy h GLY 136 Ca 0.14 -0.51 -0.00 0.00 0.00 0.00 0.00 47.33 46.97 2ksy h GLY 136 CO -0.01 0.48 -0.04 -2.00 0.00 0.00 0.00 176.54 174.97 2ksy h LEU 137 N 0.88 -0.09 -1.81 3.11 5.85 -0.23 -2.53 115.31 120.49 2ksy h LEU 137 Ca 0.21 -0.47 0.11 0.00 0.84 0.00 0.00 57.88 58.56 2ksy h LEU 137 Cb 0.20 0.02 -0.03 0.00 0.37 0.00 0.00 40.66 41.22 2ksy h LEU 137 CO -0.02 0.46 0.35 -0.37 -0.34 0.00 0.00 178.44 178.52 2ksy h VAL 138 N -0.68 0.85 -0.40 1.05 -1.51 -1.30 0.19 116.25 114.45 2ksy h VAL 138 Ca -0.01 -0.07 -0.03 0.00 -1.23 0.00 0.00 66.70 65.36 2ksy h VAL 138 Cb 0.55 0.62 -0.02 0.00 -2.13 0.00 0.00 31.29 30.31 2ksy h VAL 138 CO 0.02 0.04 0.13 0.22 -1.23 0.00 0.00 177.57 176.74 2ksy h TYR 139 N 0.21 0.65 -0.49 5.19 3.20 -0.96 -2.64 116.97 122.13 2ksy h TYR 139 Ca 0.24 -0.06 0.07 0.00 3.14 0.00 0.00 58.73 62.11 2ksy h TYR 139 Cb 0.65 -0.19 -0.06 0.00 1.54 0.00 0.00 36.73 38.68 2ksy h TYR 139 CO -0.00 0.60 0.14 1.88 -1.64 0.00 0.00 178.16 179.14 2ksy h TYR 140 N 0.51 0.25 -0.93 -3.82 0.05 -0.52 0.31 116.97 112.81 2ksy h TYR 140 Ca 0.13 0.03 0.03 0.00 0.05 0.00 0.00 58.73 58.96 2ksy h TYR 140 Cb 0.26 -0.04 -0.05 0.00 1.01 0.00 0.00 36.73 37.91 2ksy h TYR 140 CO 0.01 0.06 0.61 -0.07 -1.05 0.00 0.00 178.16 177.71 2ksy h LEU 141 N 0.30 1.03 -0.01 3.88 3.38 -1.32 -0.57 115.31 121.99 2ksy h LEU 141 Ca 0.24 -0.01 0.00 0.00 0.09 0.00 0.00 57.88 58.20 2ksy h LEU 141 Cb 0.28 -0.24 0.00 0.00 0.09 0.00 0.00 40.66 40.79 2ksy h LEU 141 CO -0.27 0.71 0.00 0.52 0.09 0.00 0.00 178.44 179.49 2ksy n VAL 142 N -4.48 0.32 0.00 1.22 0.31 -0.67 -2.74 118.33 112.30 2ksy n VAL 142 Ca 0.12 -0.14 0.00 0.00 -0.01 0.00 0.00 64.34 64.31 2ksy n VAL 142 Cb 0.07 -0.56 0.00 0.00 -0.91 0.00 0.00 33.84 32.44 2ksy n VAL 142 CO 0.00 0.00 0.00 0.61 -1.32 0.00 0.00 176.83 176.12 2ksy n GLY 143 N 1.36 -1.18 0.25 2.92 0.00 0.10 -4.77 105.19 103.87 2ksy n GLY 143 Ca 0.06 -1.11 0.13 0.00 0.00 0.00 0.00 46.02 45.10 2ksy n GLY 143 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 2ksy h PRO 144 N 0.00 0.00 -0.15 1.61 0.13 -1.87 -3.28 132.00 128.44 2ksy h PRO 144 Ca 0.00 0.00 0.05 0.00 -0.87 0.00 0.00 66.00 65.18 2ksy h PRO 144 Cb 0.00 0.00 -0.06 0.00 0.13 0.00 0.00 31.00 31.07 2ksy h PRO 144 CO 0.00 0.14 -0.24 0.52 -0.23 0.00 0.00 178.00 178.19 2ksy h MET 145 N 0.00 -0.29 -0.24 0.86 2.86 -1.79 0.64 114.93 116.96 2ksy h MET 145 Ca -0.00 0.02 -0.03 0.00 -2.06 0.00 0.00 59.70 57.63 2ksy h MET 145 Cb 0.61 0.07 -0.01 0.00 0.06 0.00 0.00 31.60 32.32 2ksy h MET 145 CO 0.02 -0.19 0.03 0.00 1.06 0.00 0.00 176.91 177.82 2ksy h THR 146 N -0.30 1.14 -0.08 2.22 1.03 -1.57 -2.10 112.91 113.25 2ksy h THR 146 Ca 0.11 -0.51 -0.14 0.00 -0.01 0.00 0.00 66.41 65.86 2ksy h THR 146 Cb 0.46 0.93 -0.01 0.00 -1.07 0.00 0.00 68.15 68.46 2ksy h THR 146 CO -0.32 0.18 -0.56 -0.33 -0.01 0.00 0.00 175.52 174.47 2ksy h GLU 147 N 0.34 0.23 -0.24 0.00 5.08 -1.41 -2.14 114.58 116.45 2ksy h GLU 147 Ca 0.08 -0.15 -0.15 0.00 -1.00 0.00 0.00 59.36 58.14 2ksy h GLU 147 Cb 0.19 0.02 -0.01 0.00 0.50 0.00 0.00 28.75 29.45 2ksy h GLU 147 CO 0.00 0.74 -0.46 0.77 -1.00 0.00 0.00 179.01 179.06 2ksy h SER 148 N 0.18 0.66 0.02 1.42 0.02 -0.25 -3.17 113.55 112.43 2ksy h SER 148 Ca -0.00 -0.32 -0.26 0.00 -0.84 0.00 0.00 61.79 60.37 2ksy h SER 148 Cb 1.05 -0.19 0.02 0.00 0.14 0.00 0.00 62.40 63.42 2ksy h SER 148 CO 0.09 1.03 -0.99 0.00 -1.14 0.00 0.00 176.83 175.81 2ksy h ALA 149 N 1.00 0.19 0.00 3.77 0.00 -1.39 -3.02 119.26 119.80 2ksy h ALA 149 Ca 0.03 -0.68 0.00 0.00 0.00 0.00 0.00 54.91 54.26 2ksy h ALA 149 Cb 0.99 0.04 0.00 0.00 0.00 0.00 0.00 17.79 18.82 2ksy h ALA 149 CO 0.09 0.70 0.00 0.43 0.00 0.00 0.00 179.25 180.47 2ksy n SER 150 N -3.86 0.00 -0.08 0.00 7.64 -0.81 -1.50 113.62 115.02 2ksy n SER 150 Ca -0.10 0.05 0.03 0.00 1.01 0.00 0.00 58.87 59.86 2ksy n SER 150 Cb 0.85 -0.22 0.05 0.00 -1.01 0.00 0.00 64.21 63.88 2ksy n SER 150 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 2ksy n GLN 151 N -1.22 1.71 -0.11 1.43 6.02 -1.17 -4.76 117.38 119.29 2ksy n GLN 151 Ca 0.05 -1.70 -0.21 0.00 -0.01 0.00 0.00 57.00 55.14 2ksy n GLN 151 Cb 0.07 -1.06 -0.10 0.00 1.02 0.00 0.00 30.24 30.17 2ksy n GLN 151 CO 0.00 0.00 0.00 -2.13 -1.01 0.00 0.00 177.06 173.92 2ksy n ARG 152 N -0.71 0.55 -3.89 -1.09 3.00 -0.56 -5.06 116.66 108.90 2ksy n ARG 152 Ca 0.06 0.51 -0.08 0.00 -0.00 0.00 0.00 57.85 58.34 2ksy n ARG 152 Cb 0.46 -1.69 -0.02 0.00 0.00 0.00 0.00 32.46 31.21 2ksy n ARG 152 CO 0.00 0.00 0.00 -1.12 0.00 0.00 0.00 177.63 176.51 2ksy s SER 153 N -6.79 -0.09 0.14 6.15 0.01 -1.25 -5.01 113.70 106.86 2ksy s SER 153 Ca -0.29 -0.86 -0.13 0.00 1.31 0.00 0.00 55.95 55.99 2ksy s SER 153 Cb 0.07 0.73 -0.01 0.00 0.21 0.00 0.00 66.02 67.01 2ksy s SER 153 CO 0.52 -1.39 1.54 -1.28 0.41 0.00 0.00 173.24 173.05 2ksy h SER 154 N 2.06 0.85 0.37 2.44 0.87 -1.94 -3.03 113.55 115.18 2ksy h SER 154 Ca -0.24 -0.37 -0.24 0.00 -1.23 0.00 0.00 61.79 59.71 2ksy h SER 154 Cb 1.25 -0.23 0.00 0.00 -0.44 0.00 0.00 62.40 62.98 2ksy h SER 154 CO 0.31 1.03 -1.01 1.23 -0.53 0.00 0.00 176.83 177.85 2ksy h GLY 155 N 0.67 0.45 0.67 5.77 0.00 -1.97 -3.28 103.07 105.38 2ksy h GLY 155 Ca 0.11 -0.84 0.09 0.00 0.00 0.00 0.00 47.33 46.68 2ksy h GLY 155 CO 0.05 0.74 0.62 -2.22 0.00 0.00 0.00 176.54 175.73 2ksy h ILE 156 N 0.21 1.01 0.10 2.60 1.08 -1.84 -0.58 117.51 120.08 2ksy h ILE 156 Ca -0.10 -0.36 -0.00 0.00 -0.39 0.00 0.00 64.86 64.01 2ksy h ILE 156 Cb 1.66 -0.12 0.00 0.00 -3.07 0.00 0.00 36.82 35.29 2ksy h ILE 156 CO 0.17 0.19 -0.05 0.50 -0.69 0.00 0.00 178.15 178.28 2ksy h LYS 157 N 1.04 -0.13 -0.38 2.37 3.64 -1.59 -0.59 116.57 120.94 2ksy h LYS 157 Ca 0.44 0.01 -0.06 0.00 -1.27 0.00 0.00 60.65 59.77 2ksy h LYS 157 Cb 0.32 0.03 -0.02 0.00 -0.41 0.00 0.00 32.23 32.15 2ksy h LYS 157 CO -0.20 0.00 -0.03 0.77 -2.27 0.00 0.00 179.45 177.72 2ksy h SER 158 N -0.23 0.59 0.53 4.20 0.02 -1.54 -2.51 113.55 114.60 2ksy h SER 158 Ca -0.01 -0.13 -0.03 0.00 -0.84 0.00 0.00 61.79 60.78 2ksy h SER 158 Cb 0.19 -0.16 0.01 0.00 0.14 0.00 0.00 62.40 62.58 2ksy h SER 158 CO 0.02 0.68 -0.25 -0.07 -1.14 0.00 0.00 176.83 176.07 2ksy h LEU 159 N 0.58 -0.60 -0.69 5.07 3.38 -0.96 -2.71 115.31 119.37 2ksy h LEU 159 Ca 0.12 -0.01 0.12 0.00 0.09 0.00 0.00 57.88 58.20 2ksy h LEU 159 Cb 0.42 0.16 -0.09 0.00 0.09 0.00 0.00 40.66 41.24 2ksy h LEU 159 CO 0.02 -0.19 0.27 0.22 0.09 0.00 0.00 178.44 178.84 2ksy h TYR 160 N -1.15 0.46 -0.33 1.13 5.03 -1.13 -1.55 116.97 119.43 2ksy h TYR 160 Ca -0.07 0.03 -0.02 0.00 2.58 0.00 0.00 58.73 61.25 2ksy h TYR 160 Cb 0.58 -0.10 -0.01 0.00 1.55 0.00 0.00 36.73 38.74 2ksy h TYR 160 CO 0.01 0.08 0.12 -0.39 -1.32 0.00 0.00 178.16 176.65 2ksy h VAL 161 N 0.43 1.20 -0.02 1.81 -1.51 -1.53 0.88 116.25 117.50 2ksy h VAL 161 Ca 0.37 -0.62 -0.00 0.00 -1.23 0.00 0.00 66.70 65.22 2ksy h VAL 161 Cb 0.51 0.99 -0.00 0.00 -2.13 0.00 0.00 31.29 30.66 2ksy h VAL 161 CO -0.36 0.21 0.01 0.03 -1.23 0.00 0.00 177.57 176.23 2ksy h ARG 162 N 0.38 0.03 -0.51 5.19 3.08 -1.10 -1.93 114.38 119.51 2ksy h ARG 162 Ca 0.11 -0.01 -0.12 0.00 0.07 0.00 0.00 59.98 60.03 2ksy h ARG 162 Cb 0.22 -0.00 -0.02 0.00 0.08 0.00 0.00 29.97 30.25 2ksy h ARG 162 CO -0.01 0.20 -0.16 -0.07 -1.07 0.00 0.00 179.97 178.86 2ksy h LEU 163 N -0.15 1.03 -0.26 3.04 3.38 -1.29 -2.80 115.31 118.26 2ksy h LEU 163 Ca 0.01 -0.37 0.01 0.00 0.09 0.00 0.00 57.88 57.62 2ksy h LEU 163 Cb 0.18 -0.28 -0.02 0.00 0.09 0.00 0.00 40.66 40.63 2ksy h LEU 163 CO -0.00 1.17 0.14 -0.09 0.09 0.00 0.00 178.44 179.75 2ksy h ARG 164 N 0.89 0.28 -0.30 1.13 1.12 -0.77 -0.35 114.38 116.38 2ksy h ARG 164 Ca 0.13 -0.02 0.05 0.00 -1.11 0.00 0.00 59.98 59.02 2ksy h ARG 164 Cb 0.74 -0.06 -0.04 0.00 -0.01 0.00 0.00 29.97 30.59 2ksy h ARG 164 CO 0.06 0.19 0.04 -0.91 -3.11 0.00 0.00 179.97 176.23 2ksy h ASN 165 N 0.29 -0.04 -0.48 -3.80 -0.26 -1.28 -1.87 115.58 108.14 2ksy h ASN 165 Ca 0.10 0.06 0.03 0.00 -0.56 0.00 0.00 56.30 55.93 2ksy h ASN 165 Cb 0.01 0.09 -0.04 0.00 -1.06 0.00 0.00 38.32 37.32 2ksy h ASN 165 CO -0.06 0.02 0.26 -0.07 -1.06 0.00 0.00 177.43 176.52 2ksy h LEU 166 N 0.14 0.39 -0.18 1.61 3.38 -1.21 -2.71 115.31 116.74 2ksy h LEU 166 Ca 0.14 0.02 0.05 0.00 0.09 0.00 0.00 57.88 58.18 2ksy h LEU 166 Cb 0.17 -0.06 -0.05 0.00 0.09 0.00 0.00 40.66 40.81 2ksy h LEU 166 CO -0.21 0.27 -0.13 0.74 0.09 0.00 0.00 178.44 179.20 2ksy h THR 167 N 0.51 0.62 -1.01 0.22 2.02 -0.39 -2.03 112.91 112.85 2ksy h THR 167 Ca 0.21 0.00 0.06 0.00 0.77 0.00 0.00 66.41 67.44 2ksy h THR 167 Cb 0.08 0.62 -0.06 0.00 -1.74 0.00 0.00 68.15 67.05 2ksy h THR 167 CO -0.13 0.00 0.65 0.58 0.37 0.00 0.00 175.52 177.00 2ksy h VAL 168 N -0.14 1.12 0.16 3.16 2.07 -1.18 -1.72 116.25 119.71 2ksy h VAL 168 Ca 0.11 -0.42 -0.01 0.00 0.82 0.00 0.00 66.70 67.20 2ksy h VAL 168 Cb 0.30 -0.20 0.00 0.00 -1.52 0.00 0.00 31.29 29.87 2ksy h VAL 168 CO -0.26 0.22 -0.08 0.58 0.02 0.00 0.00 177.57 178.06 2ksy h VAL 169 N 1.21 0.00 -0.38 2.57 2.07 -1.07 -2.19 116.25 118.46 2ksy h VAL 169 Ca 0.42 -0.08 -0.01 0.00 0.82 0.00 0.00 66.70 67.85 2ksy h VAL 169 Cb 0.11 0.00 -0.02 0.00 -1.52 0.00 0.00 31.29 29.86 2ksy h VAL 169 CO -0.16 0.00 0.19 0.17 0.02 0.00 0.00 177.57 177.79 2ksy h LEU 170 N -0.29 0.46 -0.71 2.57 8.10 -1.48 -2.08 115.31 121.89 2ksy h LEU 170 Ca -0.02 -0.03 -0.14 0.00 0.11 0.00 0.00 57.88 57.80 2ksy h LEU 170 Cb 0.16 -0.12 -0.02 0.00 -0.44 0.00 0.00 40.66 40.25 2ksy h LEU 170 CO 0.04 0.39 -0.63 -0.50 -4.11 0.00 0.00 178.44 173.63 2ksy h TRP 171 N 0.53 0.07 0.00 0.17 4.06 -1.41 -2.57 115.95 116.79 2ksy h TRP 171 Ca 0.14 -0.03 0.00 0.00 2.06 0.00 0.00 58.89 61.06 2ksy h TRP 171 Cb 0.05 -0.01 0.00 0.00 -1.00 0.00 0.00 29.16 28.20 2ksy h TRP 171 CO 0.00 0.67 0.00 0.00 -3.56 0.00 0.00 178.44 175.55 2ksy n ALA 172 N -2.43 1.95 0.04 1.49 0.00 -0.79 -2.20 120.51 118.57 2ksy n ALA 172 Ca -0.01 -0.08 -0.00 0.00 0.00 0.00 0.00 53.44 53.34 2ksy n ALA 172 Cb 0.63 -1.31 -0.07 0.00 0.00 0.00 0.00 19.45 18.69 2ksy n ALA 172 CO 0.00 0.00 0.00 0.82 0.00 0.00 0.00 177.50 178.32 2ksy h ILE 173 N 0.00 0.59 -0.36 0.00 1.08 -1.38 -3.38 117.51 114.07 2ksy h ILE 173 Ca 0.00 -2.09 0.06 0.00 -0.39 0.00 0.00 64.86 62.44 2ksy h ILE 173 Cb 0.26 2.12 -0.06 0.00 -3.07 0.00 0.00 36.82 36.07 2ksy h ILE 173 CO 0.00 0.34 -0.00 1.88 -0.69 0.00 0.00 178.15 179.67 2ksy h TYR 174 N 0.00 -0.02 -1.30 1.37 -1.99 -1.47 -0.93 116.97 112.63 2ksy h TYR 174 Ca -0.15 0.03 0.38 0.00 2.00 0.00 0.00 58.73 60.99 2ksy h TYR 174 Cb 1.59 0.07 -0.08 0.00 2.00 0.00 0.00 36.73 40.31 2ksy h TYR 174 CO 0.00 -0.07 0.90 -1.35 -0.00 0.00 0.00 178.16 177.64 2ksy h PRO 175 N 0.10 0.11 0.00 4.88 0.11 -1.74 0.98 132.00 136.43 2ksy h PRO 175 Ca 0.17 -0.01 -0.02 0.00 0.11 0.00 0.00 66.00 66.26 2ksy h PRO 175 Cb 0.24 -0.02 -0.00 0.00 0.11 0.00 0.00 31.00 31.32 2ksy h PRO 175 CO -0.29 0.07 -0.12 0.74 -0.21 0.00 0.00 178.00 178.19 2ksy h PHE 176 N 0.11 0.00 -0.86 0.65 0.04 -1.44 -3.16 116.94 112.27 2ksy h PHE 176 Ca 0.68 0.00 0.04 0.00 2.80 0.00 0.00 57.97 61.49 2ksy h PHE 176 Cb 2.39 0.00 -0.05 0.00 2.20 0.00 0.00 35.95 40.49 2ksy h PHE 176 CO -0.00 0.97 0.57 0.82 -0.60 0.00 0.00 178.31 180.06 2ksy h ILE 177 N -1.00 1.14 0.45 -0.55 1.08 -0.40 0.21 117.51 118.44 2ksy h ILE 177 Ca -0.03 -0.37 -0.02 0.00 -0.39 0.00 0.00 64.86 64.05 2ksy h ILE 177 Cb 0.95 -0.02 0.00 0.00 -3.07 0.00 0.00 36.82 34.69 2ksy h ILE 177 CO -0.02 0.19 -0.22 -0.25 -0.69 0.00 0.00 178.15 177.17 2ksy h TRP 178 N 1.07 -0.56 0.42 1.37 7.01 -1.03 0.05 115.95 124.28 2ksy h TRP 178 Ca 0.34 -0.01 -0.02 0.00 2.11 0.00 0.00 58.89 61.31 2ksy h TRP 178 Cb 0.04 0.19 0.00 0.00 -2.10 0.00 0.00 29.16 27.29 2ksy h TRP 178 CO -0.00 -0.24 -0.20 1.25 -2.79 0.00 0.00 178.44 176.46 2ksy h LEU 179 N -0.90 -0.48 -1.85 0.65 5.85 -1.48 -3.00 115.31 114.10 2ksy h LEU 179 Ca -0.06 -0.08 -0.02 0.00 0.84 0.00 0.00 57.88 58.55 2ksy h LEU 179 Cb 0.57 0.12 -0.00 0.00 0.37 0.00 0.00 40.66 41.73 2ksy h LEU 179 CO 0.10 -0.19 -0.12 -0.07 -0.34 0.00 0.00 178.44 177.82 2ksy h LEU 180 N -0.78 0.00 0.00 2.25 3.38 -0.69 0.54 115.31 120.01 2ksy h LEU 180 Ca -0.06 0.00 -0.07 0.00 0.09 0.00 0.00 57.88 57.85 2ksy h LEU 180 Cb 0.53 0.00 0.03 0.00 0.09 0.00 0.00 40.66 41.32 2ksy h LEU 180 CO 0.10 0.12 0.03 0.61 0.09 0.00 0.00 178.44 179.38 2ksy n GLY 181 N -1.10 -2.20 0.30 0.83 0.00 0.00 -0.69 105.19 102.32 2ksy n GLY 181 Ca -0.03 -1.51 0.09 0.00 0.00 0.00 0.00 46.02 44.58 2ksy n GLY 181 CO 0.00 0.00 0.00 -2.55 0.00 0.00 0.00 173.32 170.77 2ksy h PRO 182 N 0.00 0.42 -0.97 1.61 0.11 -1.84 -2.92 132.00 128.41 2ksy h PRO 182 Ca -0.07 -0.03 0.13 0.00 0.11 0.00 0.00 66.00 66.15 2ksy h PRO 182 Cb 0.20 -0.09 -0.15 0.00 0.11 0.00 0.00 31.00 31.07 2ksy h PRO 182 CO 0.05 0.28 -0.43 -2.30 -0.21 0.00 0.00 178.00 175.38 2ksy n PRO 183 N -5.02 -0.28 0.00 1.05 -0.02 -1.25 -4.49 135.00 124.98 2ksy n PRO 183 Ca 0.18 1.48 0.00 0.00 -2.02 0.00 0.00 63.50 63.14 2ksy n PRO 183 Cb 0.52 -2.20 0.00 0.00 -0.02 0.00 0.00 33.50 31.80 2ksy n PRO 183 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 2ksy n GLY 184 N -1.40 1.22 3.57 -1.23 0.00 -1.12 -4.71 105.19 101.52 2ksy n GLY 184 Ca 0.08 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 45.73 2ksy n GLY 184 CO 0.00 0.00 0.00 -1.34 0.00 0.00 0.00 173.32 171.98 2ksy s VAL 185 N 2.19 3.84 -1.00 1.61 -7.23 0.19 -4.90 120.40 115.10 2ksy s VAL 185 Ca 0.00 -1.12 -0.26 0.00 -1.81 0.00 0.00 61.98 58.79 2ksy s VAL 185 Cb 0.00 -4.84 -0.16 0.00 0.56 0.00 0.00 36.38 31.94 2ksy s VAL 185 CO 0.00 -1.63 2.15 0.00 -0.31 0.00 0.00 175.10 175.31 2ksy s ALA 186 N 6.70 0.86 -0.09 1.32 0.00 -1.12 -3.92 121.76 125.51 2ksy s ALA 186 Ca 0.57 -1.40 -0.27 0.00 0.00 0.00 0.00 51.96 50.86 2ksy s ALA 186 Cb 0.00 -4.65 -0.25 0.00 0.00 0.00 0.00 23.12 18.22 2ksy s ALA 186 CO 0.02 -6.17 0.92 -0.07 0.00 0.00 0.00 175.76 170.46 2ksy h LEU 187 N 21.24 0.09 0.00 0.00 3.38 -1.15 -3.47 115.31 135.40 2ksy h LEU 187 Ca 0.05 -0.86 0.00 0.00 0.09 0.00 0.00 57.88 57.16 2ksy h LEU 187 Cb 0.99 -0.03 0.00 0.00 0.09 0.00 0.00 40.66 41.71 2ksy h LEU 187 CO 1.06 0.94 0.00 0.18 0.09 0.00 0.00 178.44 180.71 2ksy n LEU 188 N -4.59 0.00 -4.80 1.67 4.77 -1.26 -5.08 117.00 107.71 2ksy n LEU 188 Ca -0.10 0.00 -0.37 0.00 -0.03 0.00 0.00 56.01 55.51 2ksy n LEU 188 Cb 0.47 0.00 -0.06 0.00 -2.33 0.00 0.00 43.42 41.50 2ksy n LEU 188 CO 0.36 -0.11 0.05 -0.89 -1.33 0.00 0.00 177.39 175.48 2ksy s THR 189 N 1.03 5.17 0.30 -5.08 2.01 -1.26 -4.92 115.64 112.89 2ksy s THR 189 Ca 0.00 0.71 0.04 0.00 0.31 0.00 0.00 61.69 62.75 2ksy s THR 189 Cb 0.00 -3.67 0.32 0.00 0.01 0.00 0.00 72.50 69.16 2ksy s THR 189 CO 0.00 0.51 1.65 -0.65 -0.69 0.00 0.00 174.62 175.44 2ksy h PRO 190 N 5.42 0.22 -0.41 4.92 0.11 -1.98 0.94 132.00 141.24 2ksy h PRO 190 Ca -0.48 -0.01 0.02 0.00 0.11 0.00 0.00 66.00 65.63 2ksy h PRO 190 Cb 1.20 -0.05 -0.03 0.00 0.11 0.00 0.00 31.00 32.23 2ksy h PRO 190 CO 0.66 0.15 0.23 1.79 -0.21 0.00 0.00 178.00 180.62 2ksy h THR 191 N 0.23 1.02 -0.21 -1.15 1.35 -1.98 -1.64 112.91 110.53 2ksy h THR 191 Ca 0.59 -0.16 -0.01 0.00 -0.55 0.00 0.00 66.41 66.28 2ksy h THR 191 Cb 1.21 0.52 -0.01 0.00 -1.73 0.00 0.00 68.15 68.14 2ksy h THR 191 CO -0.65 0.08 0.09 0.58 -0.25 0.00 0.00 175.52 175.37 2ksy h VAL 192 N 0.46 1.16 -0.40 6.82 2.07 -1.27 -1.74 116.25 123.35 2ksy h VAL 192 Ca 0.16 -0.49 0.06 0.00 0.82 0.00 0.00 66.70 67.26 2ksy h VAL 192 Cb 0.03 1.09 -0.06 0.00 -1.52 0.00 0.00 31.29 30.83 2ksy h VAL 192 CO -0.09 0.16 0.07 -0.78 0.02 0.00 0.00 177.57 176.95 2ksy h ASP 193 N 0.19 -0.02 -0.37 0.57 3.58 -0.97 -1.50 116.42 117.92 2ksy h ASP 193 Ca 0.07 0.07 -0.06 0.00 0.42 0.00 0.00 57.03 57.53 2ksy h ASP 193 Cb 0.17 0.10 -0.02 0.00 1.72 0.00 0.00 39.33 41.30 2ksy h ASP 193 CO -0.01 0.03 0.04 0.58 -2.88 0.00 0.00 179.24 177.00 2ksy h VAL 194 N 0.19 1.22 -0.45 2.25 2.07 -1.21 -2.14 116.25 118.18 2ksy h VAL 194 Ca 0.19 -0.87 0.03 0.00 0.82 0.00 0.00 66.70 66.87 2ksy h VAL 194 Cb 0.24 0.84 -0.03 0.00 -1.52 0.00 0.00 31.29 30.82 2ksy h VAL 194 CO -0.26 0.31 0.25 0.00 0.02 0.00 0.00 177.57 177.88 2ksy h ALA 195 N 1.37 0.58 -0.45 1.67 0.00 -0.35 0.54 119.26 122.61 2ksy h ALA 195 Ca 0.14 0.01 -0.09 0.00 0.00 0.00 0.00 54.91 54.97 2ksy h ALA 195 Cb 0.36 -0.09 -0.01 0.00 0.00 0.00 0.00 17.79 18.04 2ksy h ALA 195 CO 0.01 -0.09 -0.07 -0.07 0.00 0.00 0.00 179.25 179.03 2ksy h LEU 196 N 0.49 0.84 0.56 0.00 3.38 -1.18 -1.66 115.31 117.74 2ksy h LEU 196 Ca 0.19 -0.34 -0.02 0.00 0.09 0.00 0.00 57.88 57.80 2ksy h LEU 196 Cb 0.06 -0.23 -0.01 0.00 0.09 0.00 0.00 40.66 40.57 2ksy h LEU 196 CO -0.11 0.98 -0.40 0.40 0.09 0.00 0.00 178.44 179.40 2ksy h ILE 197 N 0.67 0.19 -0.87 1.22 1.08 -0.95 0.38 117.51 119.24 2ksy h ILE 197 Ca 0.12 0.00 0.19 0.00 -0.39 0.00 0.00 64.86 64.78 2ksy h ILE 197 Cb 0.60 0.19 -0.06 0.00 -3.07 0.00 0.00 36.82 34.47 2ksy h ILE 197 CO 0.04 0.00 0.57 0.58 -0.69 0.00 0.00 178.15 178.65 2ksy h VAL 198 N -0.93 0.71 -0.19 1.67 2.07 -0.91 0.30 116.25 118.97 2ksy h VAL 198 Ca -0.06 -0.14 -0.14 0.00 0.82 0.00 0.00 66.70 67.17 2ksy h VAL 198 Cb 0.78 0.26 -0.01 0.00 -1.52 0.00 0.00 31.29 30.79 2ksy h VAL 198 CO 0.03 0.08 -0.49 0.22 0.02 0.00 0.00 177.57 177.43 2ksy h TYR 199 N 0.42 0.61 -0.54 1.57 3.20 -0.29 -2.31 116.97 119.63 2ksy h TYR 199 Ca 0.44 -0.20 -0.08 0.00 3.14 0.00 0.00 58.73 62.03 2ksy h TYR 199 Cb 1.08 -0.12 -0.02 0.00 1.54 0.00 0.00 36.73 39.21 2ksy h TYR 199 CO -0.00 0.89 0.01 -0.07 -1.64 0.00 0.00 178.16 177.34 2ksy h LEU 200 N 0.39 0.92 -0.72 2.82 3.38 0.35 -1.23 115.31 121.22 2ksy h LEU 200 Ca 0.02 -0.30 -0.14 0.00 0.09 0.00 0.00 57.88 57.55 2ksy h LEU 200 Cb 0.99 -0.25 -0.01 0.00 0.09 0.00 0.00 40.66 41.48 2ksy h LEU 200 CO 0.09 1.00 -0.59 0.44 0.09 0.00 0.00 178.44 179.47 2ksy h ASP 201 N 0.82 0.18 0.29 -0.43 3.32 -1.29 -2.75 116.42 116.57 2ksy h ASP 201 Ca 0.15 -0.10 -0.17 0.00 0.02 0.00 0.00 57.03 56.94 2ksy h ASP 201 Cb 0.53 -0.05 -0.01 0.00 0.22 0.00 0.00 39.33 40.02 2ksy h ASP 201 CO 0.03 0.73 -0.66 -0.07 -1.72 0.00 0.00 179.24 177.55 2ksy h LEU 202 N 0.12 0.40 -0.17 1.55 3.38 -1.18 -3.24 115.31 116.17 2ksy h LEU 202 Ca -0.01 -0.24 -0.23 0.00 0.09 0.00 0.00 57.88 57.49 2ksy h LEU 202 Cb 1.08 -0.12 0.01 0.00 0.09 0.00 0.00 40.66 41.72 2ksy h LEU 202 CO 0.09 0.95 -0.92 1.62 0.09 0.00 0.00 178.44 180.26 2ksy h VAL 203 N 0.25 1.37 0.00 1.22 3.04 -1.17 -1.49 116.25 119.46 2ksy h VAL 203 Ca -0.02 -2.34 0.00 0.00 -1.01 0.00 0.00 66.70 63.33 2ksy h VAL 203 Cb 1.20 2.34 0.00 0.00 -2.01 0.00 0.00 31.29 32.82 2ksy h VAL 203 CO 0.11 0.71 0.00 0.41 -1.01 0.00 0.00 177.57 177.79 2ksy n THR 204 N -3.79 0.00 0.00 3.17 -1.04 -1.04 -0.49 114.28 111.08 2ksy n THR 204 Ca -0.07 0.00 0.00 0.00 -2.04 0.00 0.00 64.05 61.94 2ksy n THR 204 Cb 0.82 -0.64 0.00 0.00 -1.82 0.00 0.00 70.33 68.69 2ksy n THR 204 CO 0.00 0.00 0.00 0.52 -0.64 0.00 0.00 175.07 174.95 2ksy n VAL 206 N -0.85 0.00 0.42 12.58 0.31 -0.57 -2.21 118.33 128.01 2ksy n VAL 206 Ca 0.07 0.00 -0.17 0.00 -0.01 0.00 0.00 64.34 64.23 2ksy n VAL 206 Cb 0.03 0.00 -0.08 0.00 -0.91 0.00 0.00 33.84 32.88 2ksy n VAL 206 CO 0.00 0.00 0.00 1.23 -1.32 0.00 0.00 176.83 176.74 2ksy h GLY 207 N 0.00 -1.13 0.45 2.92 0.00 -0.66 -1.15 103.07 103.51 2ksy h GLY 207 Ca 0.00 0.42 0.07 0.00 0.00 0.00 0.00 47.33 47.82 2ksy h GLY 207 CO 0.00 -0.41 0.08 0.74 0.00 0.00 0.00 176.54 176.95 2ksy h PHE 208 N -1.27 0.13 -0.79 5.60 -1.00 -1.27 -0.91 116.94 117.42 2ksy h PHE 208 Ca -0.11 0.03 0.15 0.00 2.81 0.00 0.00 57.97 60.84 2ksy h PHE 208 Cb 0.83 0.01 -0.06 0.00 3.61 0.00 0.00 35.95 40.35 2ksy h PHE 208 CO -0.00 0.00 0.52 0.78 -1.61 0.00 0.00 178.31 178.01 2ksy h GLY 209 N 0.21 0.84 0.66 -1.45 0.00 -1.73 2.03 103.07 103.64 2ksy h GLY 209 Ca 0.21 -0.21 -0.04 0.00 0.00 0.00 0.00 47.33 47.29 2ksy h GLY 209 CO -0.28 0.07 -0.09 0.74 0.00 0.00 0.00 176.54 176.98 2ksy h PHE 210 N 0.50 0.27 0.00 5.60 0.04 0.13 0.27 116.94 123.74 2ksy h PHE 210 Ca 0.39 -0.08 -0.05 0.00 2.80 0.00 0.00 57.97 61.03 2ksy h PHE 210 Cb 0.81 -0.06 -0.01 0.00 2.20 0.00 0.00 35.95 38.89 2ksy h PHE 210 CO -0.00 0.64 -0.23 0.82 -0.60 0.00 0.00 178.31 178.94 2ksy h ILE 211 N -0.19 0.91 -0.49 -0.55 2.04 -0.57 -2.01 117.51 116.66 2ksy h ILE 211 Ca 0.02 -0.86 -0.12 0.00 1.00 0.00 0.00 64.86 64.90 2ksy h ILE 211 Cb 0.60 1.50 -0.02 0.00 -0.74 0.00 0.00 36.82 38.16 2ksy h ILE 211 CO 0.02 0.22 -0.15 0.00 0.00 0.00 0.00 178.15 178.24 2ksy h ALA 212 N 1.77 0.80 -0.29 1.87 0.00 0.38 -2.71 119.26 121.08 2ksy h ALA 212 Ca -0.00 -0.36 -0.16 0.00 0.00 0.00 0.00 54.91 54.39 2ksy h ALA 212 Cb 0.48 -0.18 -0.01 0.00 0.00 0.00 0.00 17.79 18.09 2ksy h ALA 212 CO 0.03 0.66 -0.45 -0.07 0.00 0.00 0.00 179.25 179.42 2ksy h LEU 213 N 0.83 0.81 0.51 0.00 3.38 0.21 -1.91 115.31 119.15 2ksy h LEU 213 Ca 0.12 -0.39 -0.03 0.00 0.09 0.00 0.00 57.88 57.68 2ksy h LEU 213 Cb 0.70 -0.23 0.01 0.00 0.09 0.00 0.00 40.66 41.23 2ksy h LEU 213 CO 0.05 1.14 -0.25 -0.78 0.09 0.00 0.00 178.44 178.69 2ksy h ASP 214 N 0.60 -0.58 0.09 -0.43 3.58 -1.27 0.25 116.42 118.66 2ksy h ASP 214 Ca 0.04 0.01 -0.00 0.00 0.42 0.00 0.00 57.03 57.50 2ksy h ASP 214 Cb 1.01 0.15 0.00 0.00 1.72 0.00 0.00 39.33 42.21 2ksy h ASP 214 CO 0.10 -0.40 -0.04 0.00 -2.88 0.00 0.00 179.24 176.01 2ksy h ALA 215 N -0.21 -0.12 -0.44 -0.78 0.00 -1.54 -2.33 119.26 113.84 2ksy h ALA 215 Ca -0.07 -0.05 0.07 0.00 0.00 0.00 0.00 54.91 54.86 2ksy h ALA 215 Cb 0.53 0.04 -0.02 0.00 0.00 0.00 0.00 17.79 18.34 2ksy h ALA 215 CO 0.12 -0.54 0.30 0.00 0.00 0.00 0.00 179.25 179.13 2ksy h ALA 216 N 0.74 2.03 -0.56 0.00 0.00 -1.30 -1.01 119.26 119.16 2ksy h ALA 216 Ca -0.01 -0.01 -0.03 0.00 0.00 0.00 0.00 54.91 54.86 2ksy h ALA 216 Cb 0.14 -0.06 -0.03 0.00 0.00 0.00 0.00 17.79 17.84 2ksy h ALA 216 CO 0.02 -0.12 0.25 0.00 0.00 0.00 0.00 179.25 179.40 2ksy h ALA 217 N 1.77 0.73 -0.21 0.00 0.00 0.03 0.31 119.26 121.88 2ksy h ALA 217 Ca 0.20 -0.14 -0.02 0.00 0.00 0.00 0.00 54.91 54.94 2ksy h ALA 217 Cb 0.40 -0.22 -0.01 0.00 0.00 0.00 0.00 17.79 17.96 2ksy h ALA 217 CO -0.04 0.31 0.04 1.15 0.00 0.00 0.00 179.25 180.71 2ksy h THR 218 N 0.76 1.22 0.00 0.00 2.02 -0.82 0.21 112.91 116.29 2ksy h THR 218 Ca 0.19 -0.71 -0.01 0.00 0.77 0.00 0.00 66.41 66.65 2ksy h THR 218 Cb 0.15 1.28 -0.00 0.00 -1.74 0.00 0.00 68.15 67.84 2ksy h THR 218 CO -0.02 0.22 -0.05 -0.07 0.37 0.00 0.00 175.52 175.97 2ksy h LEU 219 N 0.15 0.00 0.00 2.58 3.38 -1.15 -0.27 115.31 120.01 2ksy h LEU 219 Ca 0.07 0.00 -0.16 0.00 0.09 0.00 0.00 57.88 57.87 2ksy h LEU 219 Cb 0.29 0.00 -0.03 0.00 0.09 0.00 0.00 40.66 41.02 2ksy h LEU 219 CO 0.00 0.05 -1.02 -0.09 0.09 0.00 0.00 178.44 177.48 2ksy h ARG 220 N 0.00 0.00 0.00 1.13 2.43 -0.39 -3.34 114.38 114.22 2ksy h ARG 220 Ca -0.00 0.00 -0.16 0.00 -0.81 0.00 0.00 59.98 59.01 2ksy h ARG 220 Cb 0.12 0.00 -0.02 0.00 -0.42 0.00 0.00 29.97 29.64 2ksy h ARG 220 CO 0.01 0.51 -0.89 0.00 -1.51 0.00 0.00 179.97 178.09 2ksy h ALA 221 N 1.34 0.59 0.00 2.80 0.00 0.87 -3.25 119.26 121.61 2ksy h ALA 221 Ca -0.09 -0.72 0.00 0.00 0.00 0.00 0.00 54.91 54.10 2ksy h ALA 221 Cb 1.58 0.01 0.00 0.00 0.00 0.00 0.00 17.79 19.38 2ksy h ALA 221 CO 0.07 0.91 0.00 1.05 0.00 0.00 0.00 179.25 181.29 2ksy h GLU 222 N 0.00 0.00 0.05 0.00 4.11 -1.23 -3.26 114.58 114.25 2ksy h GLU 222 Ca -0.06 0.00 -0.00 0.00 0.07 0.00 0.00 59.36 59.37 2ksy h GLU 222 Cb 1.57 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.82 2ksy h GLU 222 CO 0.08 0.00 -0.02 0.45 0.07 0.00 0.00 179.01 179.59 2ksy h HIS 223 N 0.00 -0.06 0.00 2.06 3.86 -1.72 -3.47 115.15 115.82 2ksy h HIS 223 Ca 0.00 -0.00 0.00 0.00 -1.16 0.00 0.00 60.37 59.21 2ksy h HIS 223 Cb 0.34 0.02 0.00 0.00 1.06 0.00 0.00 27.41 28.83 2ksy h HIS 223 CO 0.00 -0.04 0.00 0.41 0.86 0.00 0.00 177.93 179.16 2ksy n GLY 224 N 0.96 2.18 3.75 2.45 0.00 -1.23 -5.00 105.19 108.29 2ksy n GLY 224 Ca -0.01 -0.46 -0.42 0.00 0.00 0.00 0.00 46.02 45.14 2ksy n GLY 224 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 2ksy s GLU 225 N 0.00 4.11 0.37 1.61 8.01 -1.26 -5.01 118.70 126.53 2ksy s GLU 225 Ca 0.00 2.61 0.05 0.00 0.01 0.00 0.00 54.97 57.64 2ksy s GLU 225 Cb 0.00 -3.02 -0.07 0.00 -4.31 0.00 0.00 34.13 26.73 2ksy s GLU 225 CO 0.00 -0.67 0.04 -1.12 0.01 0.00 0.00 175.26 173.52 2ksy s SER 226 N 0.61 3.13 -0.12 -0.19 0.01 -1.26 -5.13 113.70 110.75 2ksy s SER 226 Ca 0.65 -1.39 -0.19 0.00 1.31 0.00 0.00 55.95 56.34 2ksy s SER 226 Cb -0.49 -0.21 -0.04 0.00 0.21 0.00 0.00 66.02 65.49 2ksy s SER 226 CO 0.46 -0.54 0.52 -0.76 0.41 0.00 0.00 173.24 173.32 2ksy s LEU 227 N -3.60 4.26 -0.04 2.44 1.02 -1.26 -5.06 118.68 116.44 2ksy s LEU 227 Ca 0.35 0.85 -0.08 0.00 0.02 0.00 0.00 54.13 55.27 2ksy s LEU 227 Cb 0.09 -2.75 0.01 0.00 0.02 0.00 0.00 46.19 43.56 2ksy s LEU 227 CO 0.16 -0.04 0.19 0.00 0.02 0.00 0.00 176.35 176.68 2ksy s ALA 228 N 0.79 -0.47 0.00 4.21 0.00 -1.26 -5.16 121.76 119.87 2ksy s ALA 228 Ca 0.27 0.28 0.00 0.00 0.00 0.00 0.00 51.96 52.51 2ksy s ALA 228 Cb -0.15 -0.12 0.00 0.00 0.00 0.00 0.00 23.12 22.84 2ksy s ALA 228 CO 0.11 -0.16 0.00 0.41 0.00 0.00 0.00 175.76 176.12 2ksy n GLY 229 N 2.20 -0.79 3.48 0.00 0.00 -1.26 -5.03 105.19 103.80 2ksy n GLY 229 Ca -0.17 -1.18 -0.14 0.00 0.00 0.00 0.00 46.02 44.53 2ksy n GLY 229 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2ksy s VAL 230 N -2.00 -0.00 -0.76 1.61 0.11 -1.26 -5.11 120.40 112.99 2ksy s VAL 230 Ca 0.00 0.00 -0.16 0.00 -2.93 0.00 0.00 61.98 58.89 2ksy s VAL 230 Cb 0.00 -0.81 0.16 0.00 -1.53 0.00 0.00 36.38 34.20 2ksy s VAL 230 CO 0.00 0.00 0.80 -0.62 -3.33 0.00 0.00 175.10 171.95 2ksy s ASP 231 N 0.32 6.52 0.00 3.54 -1.08 -1.26 -4.71 116.67 120.00 2ksy s ASP 231 Ca -0.00 -2.14 0.00 0.00 -0.52 0.00 0.00 52.55 49.89 2ksy s ASP 231 Cb -0.04 -2.27 0.00 0.00 -1.46 0.00 0.00 42.92 39.15 2ksy s ASP 231 CO 0.01 -0.85 0.00 1.07 0.52 0.00 0.00 175.17 175.92 2ksy n THR 232 N 4.84 0.00 0.04 1.71 5.66 -1.26 -5.03 114.28 120.24 2ksy n THR 232 Ca 0.07 0.00 0.00 0.00 -3.05 0.00 0.00 64.05 61.07 2ksy n THR 232 Cb 0.45 -0.82 0.00 0.00 -1.55 0.00 0.00 70.33 68.42 2ksy n THR 232 CO 0.00 0.00 0.00 -0.67 -3.05 0.00 0.00 175.07 171.35 2ksy n ASP 233 N -1.91 -0.48 -4.04 1.09 2.03 -1.26 -5.14 116.55 106.84 2ksy n ASP 233 Ca 0.00 0.14 -0.17 0.00 0.52 0.00 0.00 54.79 55.28 2ksy n ASP 233 Cb 0.44 0.68 -0.14 0.00 -0.72 0.00 0.00 41.12 41.38 2ksy n ASP 233 CO 0.00 0.00 0.00 0.28 -1.92 0.00 0.00 177.20 175.56 2ksy s THR 234 N -1.19 0.69 0.62 5.18 -1.32 -1.26 -5.14 115.64 113.21 2ksy s THR 234 Ca 0.00 -0.58 -0.18 0.00 -1.21 0.00 0.00 61.69 59.72 2ksy s THR 234 Cb 0.00 -0.62 -0.02 0.00 -1.51 0.00 0.00 72.50 70.35 2ksy s THR 234 CO 0.00 0.05 1.18 -2.16 -2.21 0.00 0.00 174.62 171.48 2ksy s PRO 235 N -0.60 2.85 -0.21 7.08 0.04 -1.26 -4.55 135.00 138.35 2ksy s PRO 235 Ca 0.00 1.71 -0.10 0.00 0.04 0.00 0.00 61.00 62.65 2ksy s PRO 235 Cb -0.05 -1.93 0.04 0.00 0.04 0.00 0.00 34.50 32.60 2ksy s PRO 235 CO 0.00 -1.27 0.21 0.00 0.04 0.00 0.00 177.00 175.98 2ksy n ALA 236 N -1.88 -3.70 -2.54 8.56 0.00 -1.26 -4.93 120.51 114.77 2ksy n ALA 236 Ca 0.13 2.10 -0.43 0.00 0.00 0.00 0.00 53.44 55.24 2ksy n ALA 236 Cb 0.50 -4.10 -0.07 0.00 0.00 0.00 0.00 19.45 15.78 2ksy n ALA 236 CO 0.00 0.00 0.00 0.08 0.00 0.00 0.00 177.50 177.58 2ksy s VAL 237 N -0.87 4.84 0.00 0.00 1.01 -1.26 -4.68 120.40 119.44 2ksy s VAL 237 Ca -0.24 0.28 0.00 0.00 0.00 0.00 0.00 61.98 62.02 2ksy s VAL 237 Cb 0.02 -4.17 0.00 0.00 0.00 0.00 0.00 36.38 32.23 2ksy s VAL 237 CO 0.80 -0.51 0.00 0.00 0.00 0.00 0.00 175.10 175.39 2ksy n ALA 238 N 6.22 0.00 -2.68 5.51 0.00 -1.26 -5.11 120.51 123.19 2ksy n ALA 238 Ca -0.01 0.00 -0.04 0.00 0.00 0.00 0.00 53.44 53.39 2ksy n ALA 238 Cb 0.48 0.00 -0.03 0.00 0.00 0.00 0.00 19.45 19.90 2ksy n ALA 238 CO 0.00 0.00 0.00 -0.25 0.00 0.00 0.00 177.50 177.25 2ksy n ASP 239 N 0.00 -3.36 -0.23 0.00 8.00 -1.26 -4.97 116.55 114.72 2ksy n ASP 239 Ca 0.00 1.35 0.03 0.00 0.71 0.00 0.00 54.79 56.88 2ksy n ASP 239 Cb 0.00 -5.08 0.03 0.00 -0.02 0.00 0.00 41.12 36.05 2ksy n ASP 239 CO 0.00 0.00 0.00 0.18 -0.39 0.00 0.00 177.20 176.99 2ksy n LEU 240 N 1.41 1.54 -4.89 0.64 4.77 -1.26 -5.03 117.00 114.17 2ksy n LEU 240 Ca -0.26 -1.06 -0.29 0.00 -0.03 0.00 0.00 56.01 54.37 2ksy n LEU 240 Cb 0.41 -0.01 0.03 0.00 -2.33 0.00 0.00 43.42 41.52 2ksy n LEU 240 CO 0.40 0.33 0.67 -1.61 -1.33 0.00 0.00 177.39 175.84 2ksy s GLU 241 N -0.51 3.18 0.00 3.23 8.01 -1.26 -5.00 118.70 126.35 2ksy s GLU 241 Ca 0.07 0.44 0.00 0.00 0.01 0.00 0.00 54.97 55.49 2ksy s GLU 241 Cb 0.05 -2.13 0.00 0.00 -4.31 0.00 0.00 34.13 27.74 2ksy s GLU 241 CO 0.07 -0.73 0.00 1.58 0.01 0.00 0.00 175.26 176.19 2ksy n HIS 242 N -2.76 -0.20 -1.98 1.61 -0.00 -1.26 -5.07 115.22 105.56 2ksy n HIS 242 Ca 0.05 0.00 -0.42 0.00 0.46 0.00 0.00 57.72 57.81 2ksy n HIS 242 Cb 0.56 0.22 -0.03 0.00 -0.12 0.00 0.00 29.99 30.62 2ksy n HIS 242 CO 0.00 0.00 0.00 -1.01 0.46 0.00 0.00 176.34 175.79 2ksy s HIS 243 N -1.44 2.08 -0.15 1.57 3.76 -1.26 -4.99 115.29 114.86 2ksy s HIS 243 Ca 0.00 0.21 -0.02 0.00 -0.15 0.00 0.00 55.06 55.10 2ksy s HIS 243 Cb 0.00 -3.94 0.05 0.00 1.11 0.00 0.00 32.58 29.80 2ksy s HIS 243 CO 0.00 -3.90 0.02 -1.58 -0.85 0.00 0.00 174.74 168.43 2ksy s HIS 244 N 3.64 0.95 0.05 1.40 2.46 -1.26 -5.14 115.29 117.40 2ksy s HIS 244 Ca 0.74 -0.63 0.03 0.00 0.47 0.00 0.00 55.06 55.67 2ksy s HIS 244 Cb -0.35 -0.97 -0.04 0.00 -0.13 0.00 0.00 32.58 31.09 2ksy s HIS 244 CO 0.31 -0.51 0.02 -1.01 -2.47 0.00 0.00 174.74 171.07 2ksy s HIS 245 N 1.88 3.07 -0.15 3.88 3.76 -1.26 -5.03 115.29 121.44 2ksy s HIS 245 Ca 0.01 0.04 0.02 0.00 -0.15 0.00 0.00 55.06 54.99 2ksy s HIS 245 Cb -0.15 -1.61 -0.23 0.00 1.11 0.00 0.00 32.58 31.69 2ksy s HIS 245 CO -0.07 0.48 0.25 0.72 -0.85 0.00 0.00 174.74 175.27 2ksy n HIS 246 N 0.89 0.75 0.83 1.40 8.25 -1.26 -5.31 115.22 120.77 2ksy n HIS 246 Ca -0.12 0.19 0.10 0.00 -0.26 0.00 0.00 57.72 57.63 2ksy n HIS 246 Cb 0.52 -1.11 0.08 0.00 1.12 0.00 0.00 29.99 30.60 2ksy n HIS 246 CO 0.00 0.00 0.00 0.72 0.64 0.00 0.00 176.34 177.70