#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1smv s ALA 66 N 0.00 3.12 -0.17 4.61 0.00 -1.26 -4.70 121.76 123.35 1smv s ALA 66 Ca 0.00 0.20 0.00 0.00 0.00 0.00 0.00 51.96 52.16 1smv s ALA 66 Cb 0.00 -3.04 0.04 0.00 0.00 0.00 0.00 23.12 20.12 1smv s ALA 66 CO 0.00 -0.00 -0.09 0.42 0.00 0.00 0.00 175.76 176.09 1smv s ILE 67 N -2.35 1.40 -0.14 0.00 -1.09 -0.91 -4.94 121.20 113.17 1smv s ILE 67 Ca 0.59 -0.77 -0.08 0.00 -2.23 0.00 0.00 60.65 58.16 1smv s ILE 67 Cb -0.10 -1.48 -0.04 0.00 -1.58 0.00 0.00 42.46 39.26 1smv s ILE 67 CO 0.23 0.21 0.14 0.42 -1.23 0.00 0.00 174.94 174.71 1smv s THR 68 N 1.51 5.49 -0.02 2.92 -4.23 -1.26 -1.39 115.64 118.66 1smv s THR 68 Ca 0.01 0.21 0.04 0.00 -1.18 0.00 0.00 61.69 60.77 1smv s THR 68 Cb -0.15 -3.42 -0.01 0.00 1.34 0.00 0.00 72.50 70.27 1smv s THR 68 CO -0.08 0.58 -0.15 -0.69 -0.54 0.00 0.00 174.62 173.74 1smv s VAL 69 N -0.74 1.22 -0.10 2.29 1.01 -0.66 -4.98 120.40 118.43 1smv s VAL 69 Ca 0.14 -0.63 0.03 0.00 0.00 0.00 0.00 61.98 61.52 1smv s VAL 69 Cb -0.12 -1.03 0.01 0.00 0.00 0.00 0.00 36.38 35.24 1smv s VAL 69 CO 0.03 0.35 -0.20 -1.48 0.00 0.00 0.00 175.10 173.80 1smv s LEU 70 N -0.13 1.94 0.17 3.92 2.34 -1.26 -1.05 118.68 124.61 1smv s LEU 70 Ca 0.01 -0.50 -0.18 0.00 0.06 0.00 0.00 54.13 53.53 1smv s LEU 70 Cb -0.08 -1.25 0.03 0.00 -0.56 0.00 0.00 46.19 44.33 1smv s LEU 70 CO 0.00 0.09 0.50 -2.28 -1.06 0.00 0.00 176.35 173.61 1smv s HIS 71 N 0.61 -0.19 -0.02 3.48 5.04 -0.21 -4.99 115.29 119.01 1smv s HIS 71 Ca -0.14 -0.13 0.03 0.00 -1.54 0.00 0.00 55.06 53.28 1smv s HIS 71 Cb -0.17 0.38 -0.00 0.00 0.04 0.00 0.00 32.58 32.83 1smv s HIS 71 CO 0.04 -0.86 -0.12 0.00 -2.34 0.00 0.00 174.74 171.46 1smv s GLU 73 N -0.02 1.35 0.19 0.00 -1.05 -0.56 -4.99 118.70 113.62 1smv s GLU 73 Ca -0.00 -0.60 -0.31 0.00 -0.15 0.00 0.00 54.97 53.90 1smv s GLU 73 Cb -0.08 0.58 -0.10 0.00 -0.44 0.00 0.00 34.13 34.09 1smv s GLU 73 CO 0.00 -0.59 1.53 -1.17 0.95 0.00 0.00 175.26 175.98 1smv s LEU 74 N -2.79 4.37 -0.08 1.83 2.96 -1.26 -0.89 118.68 122.82 1smv s LEU 74 Ca 0.03 2.64 0.06 0.00 -0.22 0.00 0.00 54.13 56.64 1smv s LEU 74 Cb -0.02 -3.60 -0.09 0.00 0.50 0.00 0.00 46.19 42.98 1smv s LEU 74 CO -0.09 -0.79 0.01 1.07 -1.32 0.00 0.00 176.35 175.23 1smv n THR 75 N 3.42 0.52 -3.57 3.68 5.66 0.37 -4.60 114.28 119.76 1smv n THR 75 Ca 0.11 -0.30 -0.14 0.00 -3.05 0.00 0.00 64.05 60.67 1smv n THR 75 Cb 0.39 -0.81 -0.06 0.00 -1.55 0.00 0.00 70.33 68.30 1smv n THR 75 CO 0.00 0.00 0.00 0.00 -3.05 0.00 0.00 175.07 172.02 1smv s ALA 76 N -2.18 -1.84 -0.14 1.79 0.00 -0.57 -4.85 121.76 113.97 1smv s ALA 76 Ca -0.05 1.57 -0.06 0.00 0.00 0.00 0.00 51.96 53.41 1smv s ALA 76 Cb 0.02 -0.53 -0.04 0.00 0.00 0.00 0.00 23.12 22.57 1smv s ALA 76 CO 0.29 -0.33 0.07 -1.21 0.00 0.00 0.00 175.76 174.58 1smv s GLU 77 N -0.76 3.55 0.02 0.00 2.02 -1.26 0.16 118.70 122.43 1smv s GLU 77 Ca -0.05 -0.28 0.07 0.00 0.02 0.00 0.00 54.97 54.72 1smv s GLU 77 Cb -0.01 -3.10 -0.03 0.00 0.10 0.00 0.00 34.13 31.08 1smv s GLU 77 CO 0.05 0.56 -0.19 0.42 0.02 0.00 0.00 175.26 176.12 1smv s ILE 78 N -0.42 2.74 -0.01 -1.63 -1.09 0.41 -4.97 121.20 116.22 1smv s ILE 78 Ca 0.10 -1.09 0.00 0.00 -2.23 0.00 0.00 60.65 57.44 1smv s ILE 78 Cb -0.12 -2.11 0.01 0.00 -1.58 0.00 0.00 42.46 38.66 1smv s ILE 78 CO 0.02 0.42 -0.01 -0.83 -1.23 0.00 0.00 174.94 173.31 1smv s GLY 79 N -1.19 0.11 -0.11 6.18 0.00 -1.26 -0.97 107.32 110.08 1smv s GLY 79 Ca 0.13 -0.01 -0.05 0.00 0.00 0.00 0.00 44.72 44.79 1smv s GLY 79 CO 0.03 0.09 0.07 -1.34 0.00 0.00 0.00 173.10 171.95 1smv s VAL 80 N 0.19 4.94 0.34 1.40 -7.23 0.46 -4.77 120.40 115.73 1smv s VAL 80 Ca -0.02 -0.01 0.01 0.00 -1.81 0.00 0.00 61.98 60.16 1smv s VAL 80 Cb -0.03 -3.13 -0.01 0.00 0.56 0.00 0.00 36.38 33.77 1smv s VAL 80 CO -0.01 0.60 0.05 0.35 -0.31 0.00 0.00 175.10 175.78 1smv n THR 81 N 2.22 0.00 0.72 5.32 -2.24 -1.26 -1.65 114.28 117.39 1smv n THR 81 Ca -0.19 -1.75 0.06 0.00 -2.27 0.00 0.00 64.05 59.90 1smv n THR 81 Cb 0.54 0.49 0.17 0.00 -2.10 0.00 0.00 70.33 69.43 1smv n THR 81 CO 0.00 0.00 0.00 -0.90 -0.57 0.00 0.00 175.07 173.60 1smv n ASP 82 N -1.44 2.17 -4.12 3.42 5.68 0.52 -0.35 116.55 122.42 1smv n ASP 82 Ca -0.10 -2.05 -0.16 0.00 -0.50 0.00 0.00 54.79 51.99 1smv n ASP 82 Cb 0.46 -0.29 -0.12 0.00 -1.14 0.00 0.00 41.12 40.03 1smv n ASP 82 CO 0.00 0.00 0.00 -0.55 -1.33 0.00 0.00 177.20 175.32 1smv s SER 83 N -0.94 1.29 0.37 -1.12 0.15 -1.26 -4.52 113.70 107.67 1smv s SER 83 Ca 0.26 -0.60 -0.28 0.00 0.70 0.00 0.00 55.95 56.03 1smv s SER 83 Cb 0.14 -0.01 -0.11 0.00 -1.71 0.00 0.00 66.02 64.33 1smv s SER 83 CO 0.16 -0.14 1.50 0.00 1.20 0.00 0.00 173.24 175.96 1smv n ILE 84 N 1.32 1.92 -3.45 6.45 0.13 -1.26 -4.45 119.36 120.01 1smv n ILE 84 Ca -0.22 -0.48 -0.26 0.00 -1.10 0.00 0.00 62.75 60.69 1smv n ILE 84 Cb 0.55 -1.99 -0.12 0.00 -0.84 0.00 0.00 39.64 37.24 1smv n ILE 84 CO 0.00 0.00 0.00 -0.69 2.80 0.00 0.00 176.55 178.66 1smv s VAL 85 N -1.02 -0.01 0.00 9.51 1.01 -0.92 -4.98 120.40 123.98 1smv s VAL 85 Ca 0.54 -1.35 -0.24 0.00 0.00 0.00 0.00 61.98 60.93 1smv s VAL 85 Cb -0.47 -1.00 -0.05 0.00 0.00 0.00 0.00 36.38 34.86 1smv s VAL 85 CO 0.63 -0.85 0.72 0.54 0.00 0.00 0.00 175.10 176.14 1smv s VAL 86 N 1.38 4.87 0.19 2.92 0.11 -1.26 -2.78 120.40 125.81 1smv s VAL 86 Ca 0.16 1.52 0.00 0.00 -2.93 0.00 0.00 61.98 60.73 1smv s VAL 86 Cb -0.20 -4.07 -0.04 0.00 -1.53 0.00 0.00 36.38 30.54 1smv s VAL 86 CO -0.08 0.33 0.07 -0.94 -3.33 0.00 0.00 175.10 171.15 1smv s SER 87 N 0.22 0.73 0.10 3.54 1.04 0.72 -4.98 113.70 115.07 1smv s SER 87 Ca 0.37 -1.28 -0.08 0.00 0.48 0.00 0.00 55.95 55.45 1smv s SER 87 Cb -0.19 0.23 -0.01 0.00 0.10 0.00 0.00 66.02 66.15 1smv s SER 87 CO 0.21 -0.71 0.18 -0.94 0.98 0.00 0.00 173.24 172.95 1smv s SER 88 N -3.17 0.15 -0.03 7.02 1.04 -1.26 0.32 113.70 117.77 1smv s SER 88 Ca 0.30 -0.75 0.01 0.00 0.48 0.00 0.00 55.95 55.99 1smv s SER 88 Cb 0.07 0.34 0.02 0.00 0.10 0.00 0.00 66.02 66.55 1smv s SER 88 CO 0.07 -0.74 -0.02 -0.70 0.98 0.00 0.00 173.24 172.83 1smv s GLU 89 N -3.89 0.46 0.34 4.02 2.12 0.64 -4.94 118.70 117.45 1smv s GLU 89 Ca 0.08 -0.01 -0.28 0.00 0.36 0.00 0.00 54.97 55.12 1smv s GLU 89 Cb 0.05 -0.56 -0.10 0.00 0.26 0.00 0.00 34.13 33.78 1smv s GLU 89 CO -0.09 -0.08 1.20 -0.51 -0.54 0.00 0.00 175.26 175.24 1smv s LEU 90 N 0.81 4.40 -1.21 2.70 1.43 -1.26 -0.00 118.68 125.55 1smv s LEU 90 Ca -0.09 2.46 -0.07 0.00 -1.03 0.00 0.00 54.13 55.40 1smv s LEU 90 Cb -0.12 -3.75 0.22 0.00 0.03 0.00 0.00 46.19 42.57 1smv s LEU 90 CO -0.01 -0.46 1.74 0.52 0.23 0.00 0.00 176.35 178.37 1smv n VAL 91 N 0.70 4.72 -4.13 -1.59 0.31 0.32 -4.41 118.33 114.25 1smv n VAL 91 Ca 0.01 -4.97 -0.14 0.00 -0.01 0.00 0.00 64.34 59.23 1smv n VAL 91 Cb 0.44 -2.25 -0.11 0.00 -0.91 0.00 0.00 33.84 31.01 1smv n VAL 91 CO 0.00 0.00 0.00 0.00 -1.32 0.00 0.00 176.83 175.51 1smv s MET 92 N -0.81 0.72 0.27 5.55 0.23 -1.26 -4.51 119.30 119.49 1smv s MET 92 Ca 0.36 -0.99 -0.02 0.00 -1.03 0.00 0.00 55.69 54.02 1smv s MET 92 Cb 0.08 -0.46 0.60 0.00 -1.53 0.00 0.00 34.83 33.52 1smv s MET 92 CO 0.04 0.08 1.64 -1.35 -2.03 0.00 0.00 175.02 173.40 1smv h PRO 93 N 3.98 0.14 -0.72 3.16 0.11 -1.91 0.93 132.00 137.69 1smv h PRO 93 Ca -0.37 -0.01 0.04 0.00 0.11 0.00 0.00 66.00 65.77 1smv h PRO 93 Cb 1.19 -0.03 -0.04 0.00 0.11 0.00 0.00 31.00 32.23 1smv h PRO 93 CO 0.47 0.10 0.48 -0.92 -0.21 0.00 0.00 178.00 177.91 1smv h TYR 94 N 0.15 0.83 0.00 0.65 5.03 -1.87 -2.90 116.97 118.86 1smv h TYR 94 Ca 0.50 0.02 0.00 0.00 2.58 0.00 0.00 58.73 61.83 1smv h TYR 94 Cb 0.96 -0.28 0.00 0.00 1.55 0.00 0.00 36.73 38.96 1smv h TYR 94 CO -0.35 0.48 -0.84 0.25 -1.32 0.00 0.00 178.16 176.37 1smv n THR 95 N -4.46 0.00 -0.06 1.81 -2.24 -0.07 -4.35 114.28 104.91 1smv n THR 95 Ca 0.09 -0.12 0.02 0.00 -2.27 0.00 0.00 64.05 61.77 1smv n THR 95 Cb 0.14 0.95 0.33 0.00 -2.10 0.00 0.00 70.33 69.65 1smv n THR 95 CO 0.00 0.00 0.00 0.58 -0.57 0.00 0.00 175.07 175.08 1smv h VAL 96 N 0.00 1.16 0.00 2.28 2.07 -0.79 -3.47 116.25 117.50 1smv h VAL 96 Ca 0.00 -0.42 0.00 0.00 0.82 0.00 0.00 66.70 67.10 1smv h VAL 96 Cb 0.42 0.52 0.00 0.00 -1.52 0.00 0.00 31.29 30.71 1smv h VAL 96 CO 0.00 0.18 0.00 0.61 0.02 0.00 0.00 177.57 178.38 1smv n GLY 97 N -1.27 0.91 0.12 2.17 0.00 -1.25 -4.43 105.19 101.45 1smv n GLY 97 Ca 0.04 -0.86 -0.10 0.00 0.00 0.00 0.00 46.02 45.10 1smv n GLY 97 CO 0.00 0.00 0.00 -0.84 0.00 0.00 0.00 173.32 172.48 1smv h THR 98 N 0.28 1.11 0.47 2.61 2.02 -1.86 -1.75 112.91 115.79 1smv h THR 98 Ca 0.00 -0.29 -0.02 0.00 0.77 0.00 0.00 66.41 66.86 1smv h THR 98 Cb 0.00 0.89 0.00 0.00 -1.74 0.00 0.00 68.15 67.30 1smv h THR 98 CO 0.00 0.11 -0.23 -0.25 0.37 0.00 0.00 175.52 175.52 1smv h TRP 99 N 0.27 -0.59 -0.72 3.16 7.01 -1.94 -2.20 115.95 120.92 1smv h TRP 99 Ca 0.08 -0.01 0.00 0.00 2.11 0.00 0.00 58.89 61.07 1smv h TRP 99 Cb 0.06 0.20 -0.04 0.00 -2.10 0.00 0.00 29.16 27.28 1smv h TRP 99 CO -0.04 -0.33 0.46 1.25 -2.79 0.00 0.00 178.44 176.99 1smv h LEU 100 N -0.71 0.85 -0.81 0.65 5.85 -1.85 0.04 115.31 119.34 1smv h LEU 100 Ca -0.07 -0.04 0.17 0.00 0.84 0.00 0.00 57.88 58.78 1smv h LEU 100 Cb 0.52 -0.21 -0.11 0.00 0.37 0.00 0.00 40.66 41.24 1smv h LEU 100 CO 0.11 0.64 0.33 -0.09 -0.34 0.00 0.00 178.44 179.08 1smv h ARG 101 N 0.98 0.42 0.19 1.25 2.43 -1.12 0.30 114.38 118.83 1smv h ARG 101 Ca 0.26 -0.03 -0.01 0.00 -0.81 0.00 0.00 59.98 59.40 1smv h ARG 101 Cb -0.07 -0.09 0.00 0.00 -0.42 0.00 0.00 29.97 29.38 1smv h ARG 101 CO -0.05 0.28 -0.09 0.78 -1.51 0.00 0.00 179.97 179.38 1smv h GLY 102 N 0.43 -0.26 1.41 2.80 0.00 -0.37 -3.06 103.07 104.02 1smv h GLY 102 Ca 0.46 0.10 -0.23 0.00 0.00 0.00 0.00 47.33 47.66 1smv h GLY 102 CO -0.45 -0.10 -0.92 -0.39 0.00 0.00 0.00 176.54 174.68 1smv h VAL 103 N -0.54 1.35 -0.08 4.60 -1.51 -0.80 -3.25 116.25 116.02 1smv h VAL 103 Ca -0.03 -2.29 0.02 0.00 -1.23 0.00 0.00 66.70 63.18 1smv h VAL 103 Cb 0.41 2.31 -0.00 0.00 -2.13 0.00 0.00 31.29 31.87 1smv h VAL 103 CO 0.04 0.70 0.06 0.00 -1.23 0.00 0.00 177.57 177.14 1smv h ALA 104 N 0.65 1.93 0.00 5.19 0.00 -0.51 -2.12 119.26 124.39 1smv h ALA 104 Ca -0.08 -0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.82 1smv h ALA 104 Cb 1.55 0.01 0.00 0.00 0.00 0.00 0.00 17.79 19.35 1smv h ALA 104 CO 0.17 -0.10 0.00 -0.40 0.00 0.00 0.00 179.25 178.92 1smv n ASP 105 N -4.29 0.58 -0.29 0.00 5.68 -1.16 -1.77 116.55 115.30 1smv n ASP 105 Ca -0.01 0.72 0.12 0.00 -0.50 0.00 0.00 54.79 55.12 1smv n ASP 105 Cb 0.17 -0.82 0.56 0.00 -1.14 0.00 0.00 41.12 39.89 1smv n ASP 105 CO 0.00 0.00 0.00 0.59 -1.33 0.00 0.00 177.20 176.46 1smv n ASN 106 N -2.23 0.89 -4.31 -1.12 3.02 -0.80 -4.11 115.26 106.60 1smv n ASN 106 Ca -0.00 -1.46 -0.22 0.00 -0.03 0.00 0.00 54.58 52.87 1smv n ASN 106 Cb 0.10 -0.03 -0.12 0.00 -0.61 0.00 0.00 39.78 39.12 1smv n ASN 106 CO 0.00 0.00 0.00 0.26 -2.62 0.00 0.00 177.26 174.90 1smv s TRP 107 N -1.93 1.76 -0.02 3.10 0.51 -0.73 -1.32 118.94 120.31 1smv s TRP 107 Ca 0.35 -0.46 -0.17 0.00 -2.12 0.00 0.00 56.10 53.70 1smv s TRP 107 Cb 0.18 -0.91 -0.33 0.00 -0.81 0.00 0.00 33.47 31.60 1smv s TRP 107 CO 0.29 0.27 0.88 0.77 -0.51 0.00 0.00 176.95 178.64 1smv h SER 108 N 3.56 0.65 -4.43 2.95 0.02 -0.10 -3.44 113.55 112.76 1smv h SER 108 Ca -0.43 -0.93 -0.35 0.00 -0.84 0.00 0.00 61.79 59.24 1smv h SER 108 Cb 1.20 -0.21 -0.14 0.00 0.14 0.00 0.00 62.40 63.38 1smv h SER 108 CO 0.47 1.61 -0.62 -0.54 -1.14 0.00 0.00 176.83 176.61 1smv s LYS 109 N -2.53 1.41 0.28 3.45 1.02 -1.18 -1.82 119.74 120.38 1smv s LYS 109 Ca -0.13 -1.76 -0.17 0.00 0.02 0.00 0.00 55.97 53.93 1smv s LYS 109 Cb 0.03 -0.30 0.01 0.00 -0.52 0.00 0.00 37.83 37.06 1smv s LYS 109 CO 0.88 -0.28 0.64 1.52 -0.92 0.00 0.00 175.35 177.19 1smv s TYR 110 N -3.73 0.05 -0.09 3.18 1.13 -0.06 -1.79 117.35 116.04 1smv s TYR 110 Ca 0.37 -0.49 -0.05 0.00 -1.41 0.00 0.00 57.07 55.50 1smv s TYR 110 Cb 0.08 0.54 0.04 0.00 -1.10 0.00 0.00 41.96 41.52 1smv s TYR 110 CO 0.13 -1.19 0.21 0.45 -2.51 0.00 0.00 175.55 172.64 1smv s SER 111 N -2.97 -0.21 0.05 -0.18 0.15 0.18 -1.27 113.70 109.45 1smv s SER 111 Ca 0.16 0.44 -0.30 0.00 0.70 0.00 0.00 55.95 56.95 1smv s SER 111 Cb -0.04 0.34 -0.04 0.00 -1.71 0.00 0.00 66.02 64.56 1smv s SER 111 CO 0.08 -0.15 0.98 0.26 1.20 0.00 0.00 173.24 175.61 1smv s TRP 112 N 1.14 3.72 -0.12 3.44 0.23 -1.26 -0.73 118.94 125.36 1smv s TRP 112 Ca -0.08 1.74 0.16 0.00 -2.03 0.00 0.00 56.10 55.88 1smv s TRP 112 Cb -0.10 -3.10 -0.23 0.00 0.03 0.00 0.00 33.47 30.07 1smv s TRP 112 CO -0.07 0.06 0.17 1.28 0.96 0.00 0.00 176.95 179.35 1smv n LEU 113 N 3.43 0.00 -3.64 2.99 4.32 0.04 -4.93 117.00 119.22 1smv n LEU 113 Ca 0.04 0.00 -0.09 0.00 -0.02 0.00 0.00 56.01 55.95 1smv n LEU 113 Cb 0.50 0.27 -0.07 0.00 -1.62 0.00 0.00 43.42 42.50 1smv n LEU 113 CO 0.52 0.27 0.56 -0.55 -1.22 0.00 0.00 177.39 176.97 1smv s SER 114 N -4.70 -0.64 -0.05 -1.43 0.15 -0.72 -4.93 113.70 101.38 1smv s SER 114 Ca -0.08 1.15 -0.02 0.00 0.70 0.00 0.00 55.95 57.70 1smv s SER 114 Cb 0.07 1.21 0.04 0.00 -1.71 0.00 0.00 66.02 65.62 1smv s SER 114 CO 0.70 -0.19 0.09 -0.69 1.20 0.00 0.00 173.24 174.35 1smv s VAL 115 N 0.78 -0.10 -0.03 4.45 1.01 -1.26 -0.68 120.40 124.57 1smv s VAL 115 Ca -0.03 0.27 -0.01 0.00 0.00 0.00 0.00 61.98 62.21 1smv s VAL 115 Cb -0.05 -0.17 0.03 0.00 0.00 0.00 0.00 36.38 36.19 1smv s VAL 115 CO -0.09 0.11 0.03 -0.60 0.00 0.00 0.00 175.10 174.56 1smv s ARG 116 N 1.49 0.02 -0.22 2.72 3.52 -0.42 -1.25 118.95 124.82 1smv s ARG 116 Ca -0.05 0.23 -0.08 0.00 -0.13 0.00 0.00 55.73 55.71 1smv s ARG 116 Cb -0.12 -0.40 -0.04 0.00 -1.56 0.00 0.00 34.95 32.82 1smv s ARG 116 CO -0.04 -0.23 0.09 0.71 -0.81 0.00 0.00 175.30 175.02 1smv s TYR 117 N 1.48 3.22 -0.12 5.12 2.02 -0.45 -0.78 117.35 127.84 1smv s TYR 117 Ca -0.04 -0.02 0.01 0.00 -0.37 0.00 0.00 57.07 56.65 1smv s TYR 117 Cb -0.13 -2.17 0.02 0.00 -0.40 0.00 0.00 41.96 39.28 1smv s TYR 117 CO -0.03 -0.01 -0.14 0.99 -1.57 0.00 0.00 175.55 174.79 1smv s THR 118 N 0.89 1.45 -0.05 -0.71 2.01 -0.28 -1.15 115.64 117.80 1smv s THR 118 Ca 0.05 -0.59 -0.19 0.00 0.31 0.00 0.00 61.69 61.27 1smv s THR 118 Cb -0.14 -1.35 -0.05 0.00 0.01 0.00 0.00 72.50 70.98 1smv s THR 118 CO 0.03 0.43 0.53 -0.47 -0.69 0.00 0.00 174.62 174.45 1smv s TYR 119 N 1.21 3.62 -0.10 4.92 5.04 -0.30 -0.92 117.35 130.82 1smv s TYR 119 Ca -0.02 1.06 0.00 0.00 -2.44 0.00 0.00 57.07 55.67 1smv s TYR 119 Cb -0.14 -2.55 0.02 0.00 0.35 0.00 0.00 41.96 39.64 1smv s TYR 119 CO -0.05 0.31 -0.09 0.42 -1.34 0.00 0.00 175.55 174.80 1smv s ILE 120 N 0.04 1.06 0.85 3.14 1.01 0.00 -4.53 121.20 122.77 1smv s ILE 120 Ca 0.28 -0.34 -0.11 0.00 0.00 0.00 0.00 60.65 60.49 1smv s ILE 120 Cb -0.17 -1.05 0.10 0.00 0.01 0.00 0.00 42.46 41.36 1smv s ILE 120 CO 0.14 0.37 1.10 -2.16 0.00 0.00 0.00 174.94 174.38 1smv s PRO 121 N 1.45 1.61 0.00 2.79 0.04 -1.26 -0.81 135.00 138.82 1smv s PRO 121 Ca 0.00 1.07 0.00 0.00 0.04 0.00 0.00 61.00 62.12 1smv s PRO 121 Cb -0.13 -1.83 0.00 0.00 0.04 0.00 0.00 34.50 32.58 1smv s PRO 121 CO -0.06 -2.07 0.56 -1.13 0.04 0.00 0.00 177.00 174.35 1smv n SER 122 N -3.80 0.00 -4.71 6.66 3.41 0.49 -4.83 113.62 110.85 1smv n SER 122 Ca 0.08 -1.30 -0.24 0.00 -0.26 0.00 0.00 58.87 57.16 1smv n SER 122 Cb 0.54 -0.06 -0.07 0.00 -0.26 0.00 0.00 64.21 64.36 1smv n SER 122 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 1smv s PRO 124 N -3.81 2.82 0.15 0.00 0.02 -1.26 -4.89 135.00 128.03 1smv s PRO 124 Ca 0.37 1.28 0.10 0.00 0.02 0.00 0.00 61.00 62.77 1smv s PRO 124 Cb -0.02 -1.96 0.53 0.00 0.02 0.00 0.00 34.50 33.07 1smv s PRO 124 CO 0.22 -1.22 1.27 -1.13 -0.33 0.00 0.00 177.00 175.81 1smv n SER 125 N -2.59 0.25 -0.95 2.53 3.41 -1.26 -0.84 113.62 114.17 1smv n SER 125 Ca 0.10 0.59 0.11 0.00 -0.26 0.00 0.00 58.87 59.41 1smv n SER 125 Cb 0.52 -0.62 0.27 0.00 -0.26 0.00 0.00 64.21 64.12 1smv n SER 125 CO 0.00 0.00 0.00 -1.54 -0.16 0.00 0.00 175.04 173.34 1smv n SER 126 N -1.83 2.83 -4.68 4.04 3.41 -1.26 -4.92 113.62 111.20 1smv n SER 126 Ca -0.01 -1.91 -0.43 0.00 -0.26 0.00 0.00 58.87 56.27 1smv n SER 126 Cb 0.05 -0.22 -0.02 0.00 -0.26 0.00 0.00 64.21 63.76 1smv n SER 126 CO 0.00 0.00 0.00 -0.89 -0.16 0.00 0.00 175.04 173.99 1smv s THR 127 N -1.57 4.39 0.37 6.66 2.01 -0.02 -5.02 115.64 122.46 1smv s THR 127 Ca 0.36 1.70 -0.21 0.00 0.31 0.00 0.00 61.69 63.86 1smv s THR 127 Cb 0.21 -4.09 -0.10 0.00 0.01 0.00 0.00 72.50 68.52 1smv s THR 127 CO 0.29 -0.04 0.88 0.00 -0.69 0.00 0.00 174.62 175.06 1smv s ALA 128 N 2.53 3.17 0.00 7.40 0.00 -1.26 -4.63 121.76 128.97 1smv s ALA 128 Ca 0.53 0.33 0.00 0.00 0.00 0.00 0.00 51.96 52.82 1smv s ALA 128 Cb -0.22 -3.05 0.00 0.00 0.00 0.00 0.00 23.12 19.85 1smv s ALA 128 CO 0.18 0.20 0.00 0.41 0.00 0.00 0.00 175.76 176.55 1smv n GLY 129 N -0.21 4.37 3.05 0.00 0.00 -0.88 -4.34 105.19 107.18 1smv n GLY 129 Ca 0.04 -1.42 -0.10 0.00 0.00 0.00 0.00 46.02 44.54 1smv n GLY 129 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 1smv s SER 130 N 0.00 0.60 0.09 1.61 1.04 -0.41 -0.57 113.70 116.07 1smv s SER 130 Ca 0.00 -0.65 0.10 0.00 0.48 0.00 0.00 55.95 55.88 1smv s SER 130 Cb 0.00 0.09 -0.04 0.00 0.10 0.00 0.00 66.02 66.18 1smv s SER 130 CO 0.00 -0.33 -0.26 -0.51 0.98 0.00 0.00 173.24 173.12 1smv s ILE 131 N -2.04 2.28 -0.01 -1.02 2.07 0.34 -2.76 121.20 120.07 1smv s ILE 131 Ca -0.07 -1.56 0.00 0.00 -1.41 0.00 0.00 60.65 57.61 1smv s ILE 131 Cb -0.06 -1.96 0.00 0.00 0.13 0.00 0.00 42.46 40.58 1smv s ILE 131 CO -0.02 0.22 -0.01 -1.00 -1.91 0.00 0.00 174.94 172.21 1smv s HIS 132 N -0.96 0.14 0.03 3.50 3.76 -0.12 -1.69 115.29 119.96 1smv s HIS 132 Ca 0.13 -0.01 0.00 0.00 -0.15 0.00 0.00 55.06 55.03 1smv s HIS 132 Cb -0.10 -0.13 -0.03 0.00 1.11 0.00 0.00 32.58 33.43 1smv s HIS 132 CO 0.05 -0.02 -0.04 -1.64 -0.85 0.00 0.00 174.74 172.24 1smv s MET 133 N 0.15 0.43 0.08 1.40 -1.94 -0.53 -0.96 119.30 117.93 1smv s MET 133 Ca -0.01 -0.81 -0.27 0.00 -1.71 0.00 0.00 55.69 52.88 1smv s MET 133 Cb -0.03 0.08 0.09 0.00 2.01 0.00 0.00 34.83 36.98 1smv s MET 133 CO -0.00 -0.05 1.08 0.20 -0.01 0.00 0.00 175.02 176.23 1smv s GLY 134 N -1.91 -0.31 0.14 -0.03 0.00 -0.88 -1.89 107.32 102.43 1smv s GLY 134 Ca -0.08 0.40 0.08 0.00 0.00 0.00 0.00 44.72 45.11 1smv s GLY 134 CO -0.03 0.07 -0.10 -1.36 0.00 0.00 0.00 173.10 171.67 1smv s PHE 135 N -2.95 2.68 0.08 1.90 0.08 -0.75 -0.60 117.98 118.41 1smv s PHE 135 Ca 0.13 -0.19 0.05 0.00 0.12 0.00 0.00 56.93 57.03 1smv s PHE 135 Cb 0.01 -1.37 -0.03 0.00 -0.57 0.00 0.00 43.02 41.06 1smv s PHE 135 CO -0.01 0.46 -0.14 -0.65 -0.10 0.00 0.00 175.22 174.79 1smv s GLN 136 N -2.46 0.84 0.00 0.44 -0.21 -0.60 -3.94 119.66 113.72 1smv s GLN 136 Ca 0.22 -1.00 0.00 0.00 0.02 0.00 0.00 55.36 54.60 1smv s GLN 136 Cb -0.10 -0.80 0.00 0.00 1.00 0.00 0.00 33.01 33.11 1smv s GLN 136 CO 0.14 0.17 0.00 0.66 -2.12 0.00 0.00 175.29 174.14 1smv n TYR 137 N 1.13 0.00 -3.78 0.91 4.02 -1.26 -1.49 117.16 116.69 1smv n TYR 137 Ca -0.20 0.00 -0.36 0.00 -0.01 0.00 0.00 57.90 57.33 1smv n TYR 137 Cb 0.55 0.00 -0.12 0.00 -0.02 0.00 0.00 39.34 39.75 1smv n TYR 137 CO 0.00 0.00 0.00 0.34 -1.01 0.00 0.00 176.86 176.19 1smv s ASP 138 N -0.87 5.23 0.63 7.72 2.15 -1.26 -4.78 116.67 125.49 1smv s ASP 138 Ca 0.00 -1.82 0.26 0.00 0.43 0.00 0.00 52.55 51.42 1smv s ASP 138 Cb 0.00 -1.82 1.43 0.00 -0.30 0.00 0.00 42.92 42.23 1smv s ASP 138 CO 0.00 -0.49 1.80 0.24 -0.17 0.00 0.00 175.17 176.55 1smv h MET 139 N 8.08 0.00 0.00 4.34 2.86 -1.91 0.19 114.93 128.49 1smv h MET 139 Ca -0.16 0.00 -0.01 0.00 -2.06 0.00 0.00 59.70 57.47 1smv h MET 139 Cb 1.05 0.00 -0.00 0.00 0.06 0.00 0.00 31.60 32.71 1smv h MET 139 CO 0.67 0.00 -0.07 0.00 1.06 0.00 0.00 176.91 178.58 1smv h ALA 140 N 1.23 0.97 -2.79 6.32 0.00 -1.92 -3.46 119.26 119.62 1smv h ALA 140 Ca 0.00 -0.06 -0.53 0.00 0.00 0.00 0.00 54.91 54.32 1smv h ALA 140 Cb 0.75 -0.01 0.12 0.00 0.00 0.00 0.00 17.79 18.65 1smv h ALA 140 CO 0.00 0.08 0.45 -0.51 0.00 0.00 0.00 179.25 179.27 1smv s ASP 141 N -6.08 4.98 0.37 0.00 1.01 0.65 -4.97 116.67 112.64 1smv s ASP 141 Ca 0.04 2.36 -0.26 0.00 0.71 0.00 0.00 52.55 55.40 1smv s ASP 141 Cb 0.07 -2.59 -0.09 0.00 1.01 0.00 0.00 42.92 41.32 1smv s ASP 141 CO 0.64 -1.73 1.20 -0.89 0.21 0.00 0.00 175.17 174.59 1smv s THR 142 N -1.72 3.06 0.22 -1.27 2.01 -1.26 -5.00 115.64 111.68 1smv s THR 142 Ca 0.76 0.95 -0.28 0.00 0.31 0.00 0.00 61.69 63.43 1smv s THR 142 Cb -0.30 -3.56 -0.09 0.00 0.01 0.00 0.00 72.50 68.57 1smv s THR 142 CO 0.36 0.14 0.88 0.54 -0.69 0.00 0.00 174.62 175.85 1smv s VAL 143 N -1.31 4.18 0.57 3.82 0.11 -1.26 -4.98 120.40 121.52 1smv s VAL 143 Ca 0.54 1.95 -0.18 0.00 -2.93 0.00 0.00 61.98 61.36 1smv s VAL 143 Cb -0.33 -4.26 -0.12 0.00 -1.53 0.00 0.00 36.38 30.14 1smv s VAL 143 CO 0.43 0.50 0.15 -2.65 -3.33 0.00 0.00 175.10 170.20 1smv n PRO 144 N 1.51 0.22 0.00 1.54 -0.02 -1.26 -4.94 135.00 132.06 1smv n PRO 144 Ca -0.03 0.09 0.00 0.00 -2.02 0.00 0.00 63.50 61.54 1smv n PRO 144 Cb 0.48 -1.34 0.00 0.00 -0.02 0.00 0.00 33.50 32.61 1smv n PRO 144 CO 0.00 0.00 0.00 0.28 1.98 0.00 0.00 175.50 177.76 1smv n VAL 145 N -1.70 0.26 -3.43 -1.45 0.31 -1.26 -4.88 118.33 106.18 1smv n VAL 145 Ca 0.09 -0.58 -0.12 0.00 -0.01 0.00 0.00 64.34 63.73 1smv n VAL 145 Cb 0.48 0.95 -0.02 0.00 -0.91 0.00 0.00 33.84 34.33 1smv n VAL 145 CO 0.00 0.00 0.00 -0.94 -1.32 0.00 0.00 176.83 174.57 1smv s SER 146 N -0.26 -0.56 0.28 4.52 1.04 -1.26 -5.03 113.70 112.44 1smv s SER 146 Ca 0.00 0.00 -0.02 0.00 0.48 0.00 0.00 55.95 56.41 1smv s SER 146 Cb 0.00 0.58 0.42 0.00 0.10 0.00 0.00 66.02 67.12 1smv s SER 146 CO 0.00 -0.94 1.93 0.58 0.98 0.00 0.00 173.24 175.79 1smv h VAL 147 N 2.01 1.16 0.38 5.02 2.07 -1.97 0.46 116.25 125.37 1smv h VAL 147 Ca -0.33 -0.40 -0.01 0.00 0.82 0.00 0.00 66.70 66.78 1smv h VAL 147 Cb 1.30 -0.11 -0.00 0.00 -1.52 0.00 0.00 31.29 30.97 1smv h VAL 147 CO 0.37 0.21 -0.22 -1.13 0.02 0.00 0.00 177.57 176.83 1smv h ASN 148 N 1.16 -0.53 -0.63 0.57 -1.24 -1.99 0.38 115.58 113.31 1smv h ASN 148 Ca 0.37 0.03 0.03 0.00 0.71 0.00 0.00 56.30 57.43 1smv h ASN 148 Cb 0.01 0.15 -0.03 0.00 0.73 0.00 0.00 38.32 39.18 1smv h ASN 148 CO -0.11 -0.35 0.41 0.50 -1.29 0.00 0.00 177.43 176.59 1smv h LYS 149 N -0.56 0.75 -0.02 6.67 3.64 -1.87 -1.62 116.57 123.55 1smv h LYS 149 Ca -0.04 -0.05 -0.21 0.00 -1.27 0.00 0.00 60.65 59.08 1smv h LYS 149 Cb 0.45 -0.17 -0.00 0.00 -0.41 0.00 0.00 32.23 32.10 1smv h LYS 149 CO 0.06 0.50 -0.88 1.25 -2.27 0.00 0.00 179.45 178.10 1smv h LEU 150 N 0.77 0.49 -0.73 5.20 6.46 -0.32 -3.13 115.31 124.06 1smv h LEU 150 Ca 0.24 -0.37 0.00 0.00 -0.12 0.00 0.00 57.88 57.63 1smv h LEU 150 Cb 0.03 -0.15 0.00 0.00 -0.73 0.00 0.00 40.66 39.81 1smv h LEU 150 CO -0.06 1.16 0.00 -1.54 -0.62 0.00 0.00 178.44 177.38 1smv n SER 151 N -3.76 0.29 0.11 1.25 3.41 0.13 -1.75 113.62 113.30 1smv n SER 151 Ca -0.06 0.63 0.04 0.00 -0.26 0.00 0.00 58.87 59.23 1smv n SER 151 Cb 0.80 -0.67 0.01 0.00 -0.26 0.00 0.00 64.21 64.08 1smv n SER 151 CO 0.00 0.00 0.00 0.78 -0.16 0.00 0.00 175.04 175.66 1smv h ASN 152 N 0.00 0.00 -3.74 4.04 -0.26 -1.57 -3.46 115.58 110.59 1smv h ASN 152 Ca 0.00 0.00 -0.49 0.00 -0.56 0.00 0.00 56.30 55.25 1smv h ASN 152 Cb 0.01 0.00 0.21 0.00 -1.06 0.00 0.00 38.32 37.48 1smv h ASN 152 CO 0.00 0.42 0.01 0.18 -1.06 0.00 0.00 177.43 176.98 1smv n LEU 153 N -3.06 1.12 -4.72 1.61 4.77 -0.72 -4.97 117.00 111.04 1smv n LEU 153 Ca -0.01 0.19 -0.41 0.00 -0.03 0.00 0.00 56.01 55.74 1smv n LEU 153 Cb 0.72 -1.36 -0.04 0.00 -2.33 0.00 0.00 43.42 40.42 1smv n LEU 153 CO 0.40 -2.72 0.70 -0.60 -1.33 0.00 0.00 177.39 173.84 1smv s ARG 154 N -4.42 4.64 0.00 3.23 3.52 -1.25 -3.28 118.95 121.38 1smv s ARG 154 Ca 0.66 1.49 0.00 0.00 -0.13 0.00 0.00 55.73 57.76 1smv s ARG 154 Cb -0.23 -3.38 0.00 0.00 -1.56 0.00 0.00 34.95 29.77 1smv s ARG 154 CO 0.62 0.11 0.00 0.41 -0.81 0.00 0.00 175.30 175.63 1smv n GLY 155 N 2.43 0.46 3.72 8.12 0.00 -1.26 -1.82 105.19 116.84 1smv n GLY 155 Ca 0.04 -0.96 -0.40 0.00 0.00 0.00 0.00 46.02 44.70 1smv n GLY 155 CO 0.00 0.00 0.00 2.98 0.00 0.00 0.00 173.32 176.30 1smv n TYR 156 N -2.88 2.15 -3.64 1.61 9.36 -1.21 -4.36 117.16 118.19 1smv n TYR 156 Ca 0.00 0.46 -0.06 0.00 3.32 0.00 0.00 57.90 61.63 1smv n TYR 156 Cb 0.00 -2.36 -0.07 0.00 -0.63 0.00 0.00 39.34 36.28 1smv n TYR 156 CO 0.00 0.00 0.00 0.54 0.22 0.00 0.00 176.86 177.62 1smv s VAL 157 N -1.26 -0.07 0.14 2.97 0.11 -0.79 -4.98 120.40 116.52 1smv s VAL 157 Ca 0.66 0.00 0.05 0.00 -2.93 0.00 0.00 61.98 59.75 1smv s VAL 157 Cb -0.46 -1.00 -0.04 0.00 -1.53 0.00 0.00 36.38 33.35 1smv s VAL 157 CO 0.54 0.00 -0.11 -0.94 -3.33 0.00 0.00 175.10 171.27 1smv s SER 158 N 1.67 1.77 0.00 3.54 1.04 -1.26 -1.45 113.70 119.00 1smv s SER 158 Ca -0.09 -0.96 0.00 0.00 0.48 0.00 0.00 55.95 55.37 1smv s SER 158 Cb -0.05 -0.01 0.00 0.00 0.10 0.00 0.00 66.02 66.05 1smv s SER 158 CO -0.19 -0.30 0.00 0.61 0.98 0.00 0.00 173.24 174.34 1smv n GLY 159 N -0.02 0.66 3.76 7.32 0.00 -0.68 -4.98 105.19 111.25 1smv n GLY 159 Ca -0.12 -0.77 -0.41 0.00 0.00 0.00 0.00 46.02 44.72 1smv n GLY 159 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 1smv s GLN 160 N -2.00 4.28 0.67 1.61 -0.21 -1.26 -0.50 119.66 122.24 1smv s GLN 160 Ca 0.00 2.31 0.37 0.00 0.02 0.00 0.00 55.36 58.06 1smv s GLN 160 Cb 0.00 -3.07 1.99 0.00 1.00 0.00 0.00 33.01 32.93 1smv s GLN 160 CO 0.00 -0.35 2.12 -0.24 -2.12 0.00 0.00 175.29 174.70 1smv h VAL 161 N 3.26 0.00 -0.36 1.09 3.04 -1.13 0.86 116.25 123.01 1smv h VAL 161 Ca -0.48 0.00 0.00 0.00 -1.01 0.00 0.00 66.70 65.21 1smv h VAL 161 Cb 1.22 0.81 0.00 0.00 -2.01 0.00 0.00 31.29 31.32 1smv h VAL 161 CO 0.71 0.00 0.00 -2.67 -1.01 0.00 0.00 177.57 174.60 1smv n TRP 162 N -2.97 0.47 -3.47 3.17 4.27 -1.26 -4.65 117.44 113.00 1smv n TRP 162 Ca -0.02 -0.26 -0.21 0.00 -3.89 0.00 0.00 57.50 53.11 1smv n TRP 162 Cb 0.24 -0.00 -0.01 0.00 -1.36 0.00 0.00 31.31 30.18 1smv n TRP 162 CO 0.00 0.00 0.00 0.45 -2.29 0.00 0.00 177.69 175.85 1smv s SER 163 N -1.37 5.08 0.00 -0.67 0.15 0.30 -4.86 113.70 112.32 1smv s SER 163 Ca 0.35 -0.79 0.00 0.00 0.70 0.00 0.00 55.95 56.21 1smv s SER 163 Cb 0.21 -0.32 0.00 0.00 -1.71 0.00 0.00 66.02 64.20 1smv s SER 163 CO 0.29 -0.83 0.00 0.61 1.20 0.00 0.00 173.24 174.51 1smv n GLY 164 N -1.71 0.94 0.32 9.45 0.00 -1.26 -4.17 105.19 108.76 1smv n GLY 164 Ca 0.05 0.00 0.15 0.00 0.00 0.00 0.00 46.02 46.22 1smv n GLY 164 CO 0.00 0.00 0.00 1.48 0.00 0.00 0.00 173.32 174.80 1smv h SER 165 N 0.00 0.00 0.00 1.61 4.64 -1.87 -1.75 113.55 116.18 1smv h SER 165 Ca 0.00 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.32 1smv h SER 165 Cb 0.00 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.09 1smv h SER 165 CO 0.00 0.00 0.02 0.00 -0.87 0.00 0.00 176.83 175.98 1smv h ALA 166 N 1.86 1.02 0.00 5.18 0.00 -1.86 -0.60 119.26 124.86 1smv h ALA 166 Ca 0.10 0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.01 1smv h ALA 166 Cb 0.43 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.22 1smv h ALA 166 CO -0.00 -0.02 0.00 0.41 0.00 0.00 0.00 179.25 179.64 1smv n GLY 167 N -1.19 -0.94 0.37 0.00 0.00 -0.66 -3.67 105.19 99.09 1smv n GLY 167 Ca -0.02 -0.18 -0.01 0.00 0.00 0.00 0.00 46.02 45.81 1smv n GLY 167 CO 0.00 0.00 0.00 -2.00 0.00 0.00 0.00 173.32 171.32 1smv h LEU 168 N 0.00 1.07 -2.85 0.99 6.46 -1.32 -1.74 115.31 117.92 1smv h LEU 168 Ca 0.00 -0.01 0.00 0.00 -0.12 0.00 0.00 57.88 57.75 1smv h LEU 168 Cb 0.03 -0.25 0.00 0.00 -0.73 0.00 0.00 40.66 39.71 1smv h LEU 168 CO 0.00 0.75 0.03 0.00 -0.62 0.00 0.00 178.44 178.60 1smv h PHE 170 N 0.00 0.29 0.52 0.00 0.04 -1.59 -2.25 116.94 113.96 1smv h PHE 170 Ca 0.00 -0.14 -0.03 0.00 2.80 0.00 0.00 57.97 60.61 1smv h PHE 170 Cb 0.07 -0.04 0.01 0.00 2.20 0.00 0.00 35.95 38.18 1smv h PHE 170 CO 0.00 0.89 -0.25 0.82 -0.60 0.00 0.00 178.31 179.17 1smv h ILE 171 N 0.13 0.20 -2.68 -0.55 2.04 -0.79 -3.23 117.51 112.63 1smv h ILE 171 Ca -0.03 -0.47 -0.78 0.00 1.00 0.00 0.00 64.86 64.58 1smv h ILE 171 Cb 1.35 0.30 -0.30 0.00 -0.74 0.00 0.00 36.82 37.43 1smv h ILE 171 CO 0.12 0.04 0.62 -0.46 0.00 0.00 0.00 178.15 178.46 1smv n ASN 172 N -5.26 6.23 0.00 1.72 6.94 -1.13 -4.82 115.26 118.94 1smv n ASN 172 Ca -0.10 -3.48 0.00 0.00 -0.02 0.00 0.00 54.58 50.98 1smv n ASN 172 Cb 0.31 -1.15 0.00 0.00 -2.36 0.00 0.00 39.78 36.58 1smv n ASN 172 CO 0.00 0.00 0.00 -0.46 -1.03 0.00 0.00 177.26 175.77 1smv n ASN 173 N 0.94 0.00 -0.66 0.53 0.23 -1.11 -4.87 115.26 110.32 1smv n ASN 173 Ca 0.31 0.00 0.00 0.00 -0.53 0.00 0.00 54.58 54.36 1smv n ASN 173 Cb 0.33 0.00 0.00 0.00 -2.08 0.00 0.00 39.78 38.03 1smv n ASN 173 CO 0.00 0.00 0.00 -1.20 -0.93 0.00 0.00 177.26 175.13 1smv n SER 174 N 0.00 1.18 -4.64 0.53 7.64 -0.86 -5.05 113.62 112.42 1smv n SER 174 Ca 0.00 -0.33 -0.43 0.00 1.01 0.00 0.00 58.87 59.12 1smv n SER 174 Cb 0.00 0.00 -0.02 0.00 -1.01 0.00 0.00 64.21 63.18 1smv n SER 174 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 1smv s ARG 175 N 0.56 4.13 -0.53 1.43 3.03 -1.26 -4.91 118.95 121.39 1smv s ARG 175 Ca 0.00 1.12 -0.16 0.00 2.03 0.00 0.00 55.73 58.72 1smv s ARG 175 Cb 0.00 -3.70 0.11 0.00 -1.03 0.00 0.00 34.95 30.33 1smv s ARG 175 CO 0.00 -0.77 0.51 0.00 -1.13 0.00 0.00 175.30 173.91 1smv n SER 177 N 5.43 0.89 -2.67 0.00 7.64 -1.26 -4.65 113.62 119.01 1smv n SER 177 Ca -0.13 0.25 -0.13 0.00 1.01 0.00 0.00 58.87 59.87 1smv n SER 177 Cb 0.41 -0.64 -0.06 0.00 -1.01 0.00 0.00 64.21 62.92 1smv n SER 177 CO 0.00 0.00 0.00 0.47 -3.01 0.00 0.00 175.04 172.50 1smv n ASP 178 N -3.40 3.72 -1.43 6.43 8.00 -1.26 -4.57 116.55 124.03 1smv n ASP 178 Ca -0.05 -2.16 0.09 0.00 0.71 0.00 0.00 54.79 53.38 1smv n ASP 178 Cb 0.20 -0.91 0.32 0.00 -0.02 0.00 0.00 41.12 40.72 1smv n ASP 178 CO 0.00 0.00 0.00 0.35 -0.39 0.00 0.00 177.20 177.16 1smv n THR 179 N 3.44 1.48 0.30 -3.53 -2.24 -1.26 -4.32 114.28 108.14 1smv n THR 179 Ca 0.32 -1.03 0.18 0.00 -2.27 0.00 0.00 64.05 61.25 1smv n THR 179 Cb 0.32 0.18 0.80 0.00 -2.10 0.00 0.00 70.33 69.53 1smv n THR 179 CO 0.00 0.00 0.00 0.28 -0.57 0.00 0.00 175.07 174.78 1smv h SER 180 N 3.82 0.00 -0.02 3.42 0.02 -1.96 -2.63 113.55 116.21 1smv h SER 180 Ca 0.00 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 60.95 1smv h SER 180 Cb 1.24 0.00 0.00 0.00 0.14 0.00 0.00 62.40 63.78 1smv h SER 180 CO 0.16 0.00 -0.14 0.35 -1.14 0.00 0.00 176.83 176.06 1smv n THR 181 N -3.01 0.00 -1.83 -2.27 -2.24 -1.26 -4.98 114.28 98.70 1smv n THR 181 Ca -0.00 -0.43 -0.42 0.00 -2.27 0.00 0.00 64.05 60.93 1smv n THR 181 Cb 0.24 1.27 -0.03 0.00 -2.10 0.00 0.00 70.33 69.71 1smv n THR 181 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 1smv s ALA 182 N -1.57 3.67 -1.08 6.98 0.00 -1.00 -4.24 121.76 124.54 1smv s ALA 182 Ca 0.16 1.26 -0.17 0.00 0.00 0.00 0.00 51.96 53.20 1smv s ALA 182 Cb 0.13 -3.75 0.13 0.00 0.00 0.00 0.00 23.12 19.63 1smv s ALA 182 CO 0.28 -1.29 1.33 0.42 0.00 0.00 0.00 175.76 176.51 1smv s ILE 183 N 3.29 4.68 -0.07 0.00 1.01 -1.26 -4.91 121.20 123.94 1smv s ILE 183 Ca 0.79 -1.89 -0.04 0.00 0.00 0.00 0.00 60.65 59.51 1smv s ILE 183 Cb -0.41 -4.90 0.03 0.00 0.01 0.00 0.00 42.46 37.19 1smv s ILE 183 CO 0.35 -1.65 0.16 -0.55 0.00 0.00 0.00 174.94 173.25 1smv s SER 184 N 3.57 -0.15 0.18 3.58 0.15 -1.26 -1.15 113.70 118.62 1smv s SER 184 Ca 0.40 0.33 0.07 0.00 0.70 0.00 0.00 55.95 57.45 1smv s SER 184 Cb -0.03 0.27 -0.04 0.00 -1.71 0.00 0.00 66.02 64.51 1smv s SER 184 CO -0.04 -0.11 -0.15 0.28 1.20 0.00 0.00 173.24 174.42 1smv s THR 185 N 0.74 1.66 0.02 6.45 -1.32 -0.30 -4.99 115.64 117.90 1smv s THR 185 Ca -0.05 -2.10 0.06 0.00 -1.21 0.00 0.00 61.69 58.39 1smv s THR 185 Cb -0.07 -1.94 -0.02 0.00 -1.51 0.00 0.00 72.50 68.95 1smv s THR 185 CO -0.04 -0.55 -0.19 -0.89 -2.21 0.00 0.00 174.62 170.74 1smv s THR 186 N -2.78 1.54 0.09 5.08 2.01 -1.26 -1.34 115.64 118.98 1smv s THR 186 Ca 0.20 -1.04 -0.27 0.00 0.31 0.00 0.00 61.69 60.89 1smv s THR 186 Cb -0.02 -1.33 -0.06 0.00 0.01 0.00 0.00 72.50 71.11 1smv s THR 186 CO 0.06 0.26 0.84 -0.22 -0.69 0.00 0.00 174.62 174.86 1smv s LEU 187 N -0.92 4.49 -1.50 4.42 2.96 -0.38 -4.83 118.68 122.92 1smv s LEU 187 Ca 0.07 1.60 -0.12 0.00 -0.22 0.00 0.00 54.13 55.46 1smv s LEU 187 Cb -0.08 -3.37 0.01 0.00 0.50 0.00 0.00 46.19 43.25 1smv s LEU 187 CO 0.01 0.02 2.44 -0.90 -1.32 0.00 0.00 176.35 176.60 1smv n ASP 188 N 2.58 5.57 -0.14 3.68 5.75 -1.26 -4.65 116.55 128.08 1smv n ASP 188 Ca -0.01 -2.78 0.25 0.00 -0.01 0.00 0.00 54.79 52.24 1smv n ASP 188 Cb 0.50 -1.61 0.42 0.00 -1.03 0.00 0.00 41.12 39.40 1smv n ASP 188 CO 0.00 0.00 0.00 1.62 -0.11 0.00 0.00 177.20 178.71 1smv h VAL 189 N 3.64 0.03 0.00 2.12 3.04 -1.92 -0.81 116.25 122.35 1smv h VAL 189 Ca 0.66 0.00 -0.09 0.00 -1.01 0.00 0.00 66.70 66.26 1smv h VAL 189 Cb 0.52 0.06 -0.02 0.00 -2.01 0.00 0.00 31.29 29.84 1smv h VAL 189 CO 1.83 0.00 -1.23 -1.54 -1.01 0.00 0.00 177.57 175.63 1smv n SER 190 N -3.21 0.85 -1.31 3.17 3.41 -1.26 -3.85 113.62 111.42 1smv n SER 190 Ca 0.20 0.35 0.07 0.00 -0.26 0.00 0.00 58.87 59.23 1smv n SER 190 Cb 1.41 0.31 0.28 0.00 -0.26 0.00 0.00 64.21 65.94 1smv n SER 190 CO 0.00 0.00 0.00 -0.62 -0.16 0.00 0.00 175.04 174.26 1smv n GLU 191 N -2.79 3.19 -1.30 4.33 -0.58 -0.31 -4.94 120.64 118.24 1smv n GLU 191 Ca -0.05 -2.21 -0.31 0.00 -0.42 0.00 0.00 57.16 54.17 1smv n GLU 191 Cb 0.70 -1.79 0.09 0.00 -0.57 0.00 0.00 31.44 29.88 1smv n GLU 191 CO 0.00 0.00 0.00 -0.51 -0.48 0.00 0.00 177.13 176.14 1smv s LEU 192 N -1.58 3.07 0.20 -4.62 1.43 -1.24 -4.94 118.68 110.99 1smv s LEU 192 Ca 0.39 1.86 -0.13 0.00 -1.03 0.00 0.00 54.13 55.22 1smv s LEU 192 Cb 0.26 -4.53 0.23 0.00 0.03 0.00 0.00 46.19 42.18 1smv s LEU 192 CO 0.18 -2.03 1.66 1.23 0.23 0.00 0.00 176.35 177.62 1smv h GLY 193 N -1.01 0.52 -0.98 -3.19 0.00 -1.92 -3.45 103.07 93.04 1smv h GLY 193 Ca -0.44 0.12 -0.22 0.00 0.00 0.00 0.00 47.33 46.79 1smv h GLY 193 CO 0.51 -0.19 -0.17 0.58 0.00 0.00 0.00 176.54 177.27 1smv n LYS 194 N -5.31 0.34 -0.12 4.80 2.85 -1.26 -5.10 118.16 114.36 1smv n LYS 194 Ca 0.07 -1.81 -0.23 0.00 -1.05 0.00 0.00 58.31 55.29 1smv n LYS 194 Cb 0.31 1.61 -0.09 0.00 -0.65 0.00 0.00 35.03 36.21 1smv n LYS 194 CO 0.00 0.00 0.00 1.17 -0.05 0.00 0.00 177.40 178.52 1smv n LYS 195 N -0.36 0.56 -3.39 -1.58 4.81 -1.26 -4.89 118.16 112.05 1smv n LYS 195 Ca 0.02 0.36 -0.40 0.00 -0.87 0.00 0.00 58.31 57.42 1smv n LYS 195 Cb 0.35 -1.57 -0.09 0.00 0.02 0.00 0.00 35.03 33.74 1smv n LYS 195 CO 0.00 0.00 0.00 -1.58 1.17 0.00 0.00 177.40 176.99 1smv s TRP 196 N -2.50 3.21 0.10 5.64 0.52 -1.26 -4.30 118.94 120.35 1smv s TRP 196 Ca -0.33 0.11 0.05 0.00 0.02 0.00 0.00 56.10 55.95 1smv s TRP 196 Cb 0.10 -2.66 -0.04 0.00 -1.15 0.00 0.00 33.47 29.71 1smv s TRP 196 CO 0.49 -0.38 0.03 0.71 0.02 0.00 0.00 176.95 177.82 1smv s TYR 197 N 2.06 3.05 0.29 -1.98 2.02 -0.40 -4.89 117.35 117.51 1smv s TYR 197 Ca 0.13 -0.00 -0.20 0.00 -0.37 0.00 0.00 57.07 56.63 1smv s TYR 197 Cb -0.16 -1.55 -0.09 0.00 -0.40 0.00 0.00 41.96 39.76 1smv s TYR 197 CO 0.11 0.50 0.80 -1.25 -1.57 0.00 0.00 175.55 174.15 1smv s PRO 198 N -2.45 4.26 -0.10 -1.71 0.04 -1.26 -0.88 135.00 132.89 1smv s PRO 198 Ca 0.27 0.95 -0.30 0.00 0.04 0.00 0.00 61.00 61.97 1smv s PRO 198 Cb -0.11 -2.66 -0.03 0.00 0.04 0.00 0.00 34.50 31.73 1smv s PRO 198 CO 0.20 0.26 1.25 -0.47 0.04 0.00 0.00 177.00 178.28 1smv s TYR 199 N -1.74 2.99 0.16 0.56 6.14 -0.76 -4.91 117.35 119.79 1smv s TYR 199 Ca 0.50 1.07 0.10 0.00 0.64 0.00 0.00 57.07 59.38 1smv s TYR 199 Cb -0.15 -3.48 -0.04 0.00 0.42 0.00 0.00 41.96 38.71 1smv s TYR 199 CO 0.20 -1.62 -0.23 0.15 0.64 0.00 0.00 175.55 174.69 1smv s LYS 200 N 2.85 1.39 0.13 4.97 -0.14 -1.26 -4.54 119.74 123.14 1smv s LYS 200 Ca 0.56 -1.40 -0.00 0.00 -1.36 0.00 0.00 55.97 53.76 1smv s LYS 200 Cb -0.24 -1.71 -0.04 0.00 -1.68 0.00 0.00 37.83 34.16 1smv s LYS 200 CO 0.19 0.38 0.30 0.95 -0.76 0.00 0.00 175.35 176.41 1smv s THR 201 N -1.49 5.29 0.20 2.17 -4.23 -1.26 -4.50 115.64 111.82 1smv s THR 201 Ca 0.16 -0.38 -0.11 0.00 -1.18 0.00 0.00 61.69 60.18 1smv s THR 201 Cb -0.08 -3.68 0.14 0.00 1.34 0.00 0.00 72.50 70.21 1smv s THR 201 CO 0.07 -0.01 1.71 0.28 -0.54 0.00 0.00 174.62 176.13 1smv h SER 202 N 2.54 0.00 0.03 3.99 0.02 -1.99 -0.67 113.55 117.48 1smv h SER 202 Ca -0.47 0.10 0.03 0.00 -0.84 0.00 0.00 61.79 60.61 1smv h SER 202 Cb 1.18 0.14 -0.05 0.00 0.14 0.00 0.00 62.40 63.80 1smv h SER 202 CO 0.72 0.02 -0.38 0.00 -1.14 0.00 0.00 176.83 176.04 1smv h ALA 203 N 1.44 -0.62 -0.40 3.77 0.00 -1.99 0.15 119.26 121.62 1smv h ALA 203 Ca 0.29 -0.04 -0.01 0.00 0.00 0.00 0.00 54.91 55.15 1smv h ALA 203 Cb 0.40 0.67 -0.02 0.00 0.00 0.00 0.00 17.79 18.85 1smv h ALA 203 CO -0.37 -0.92 0.22 0.22 0.00 0.00 0.00 179.25 178.40 1smv h ASP 204 N -0.56 0.49 -0.16 0.00 3.58 -1.86 -2.39 116.42 115.53 1smv h ASP 204 Ca 0.05 -0.08 0.03 0.00 0.42 0.00 0.00 57.03 57.44 1smv h ASP 204 Cb 0.63 -0.13 -0.03 0.00 1.72 0.00 0.00 39.33 41.52 1smv h ASP 204 CO -0.28 0.44 -0.04 0.22 -2.88 0.00 0.00 179.24 176.69 1smv h TYR 205 N 0.51 -0.09 -0.57 0.28 5.03 -0.71 -2.20 116.97 119.23 1smv h TYR 205 Ca 0.14 0.01 0.12 0.00 2.58 0.00 0.00 58.73 61.58 1smv h TYR 205 Cb 0.05 0.07 -0.10 0.00 1.55 0.00 0.00 36.73 38.29 1smv h TYR 205 CO -0.03 -0.07 -0.08 0.00 -1.32 0.00 0.00 178.16 176.66 1smv h ALA 206 N 1.15 0.45 -0.31 1.82 0.00 -0.38 -0.47 119.26 121.52 1smv h ALA 206 Ca 0.08 0.20 -0.01 0.00 0.00 0.00 0.00 54.91 55.18 1smv h ALA 206 Cb 0.12 0.38 -0.01 0.00 0.00 0.00 0.00 17.79 18.27 1smv h ALA 206 CO -0.16 -0.42 0.17 1.15 0.00 0.00 0.00 179.25 179.99 1smv h THR 207 N 0.04 1.13 -0.10 0.00 2.02 -1.03 -1.01 112.91 113.96 1smv h THR 207 Ca 0.28 -0.34 0.02 0.00 0.77 0.00 0.00 66.41 67.14 1smv h THR 207 Cb 0.44 0.79 -0.02 0.00 -1.74 0.00 0.00 68.15 67.62 1smv h THR 207 CO -0.54 0.13 -0.04 0.00 0.37 0.00 0.00 175.52 175.44 1smv h ALA 208 N 1.04 0.06 0.00 6.16 0.00 -0.71 -1.32 119.26 124.49 1smv h ALA 208 Ca 0.11 0.04 -0.02 0.00 0.00 0.00 0.00 54.91 55.04 1smv h ALA 208 Cb 0.06 0.09 -0.00 0.00 0.00 0.00 0.00 17.79 17.94 1smv h ALA 208 CO -0.02 -0.50 -0.10 0.28 0.00 0.00 0.00 179.25 178.92 1smv h VAL 209 N -0.02 0.50 0.00 0.00 2.07 -0.97 -0.79 116.25 117.04 1smv h VAL 209 Ca 0.05 -0.48 -0.03 0.00 0.82 0.00 0.00 66.70 67.07 1smv h VAL 209 Cb 0.10 1.32 -0.00 0.00 -1.52 0.00 0.00 31.29 31.18 1smv h VAL 209 CO -0.12 0.10 -0.13 1.23 0.02 0.00 0.00 177.57 178.67 1smv h GLY 210 N 0.84 0.00 0.02 2.17 0.00 0.01 -3.07 103.07 103.04 1smv h GLY 210 Ca -0.00 0.00 -0.00 0.00 0.00 0.00 0.00 47.33 47.33 1smv h GLY 210 CO 0.01 0.00 -0.01 -2.08 0.00 0.00 0.00 176.54 174.47 1smv h VAL 211 N 0.00 0.39 -2.39 4.60 2.07 -0.96 -3.47 116.25 116.49 1smv h VAL 211 Ca -0.00 -1.27 -0.06 0.00 0.82 0.00 0.00 66.70 66.18 1smv h VAL 211 Cb 0.60 0.74 -0.24 0.00 -1.52 0.00 0.00 31.29 30.87 1smv h VAL 211 CO 0.02 0.13 -0.15 -0.62 0.02 0.00 0.00 177.57 176.97 1smv s ASP 212 N -5.67 -0.67 0.42 0.57 2.15 -1.05 -5.04 116.67 107.37 1smv s ASP 212 Ca -0.04 1.14 0.10 0.00 0.43 0.00 0.00 52.55 54.18 1smv s ASP 212 Cb -0.01 1.05 0.94 0.00 -0.30 0.00 0.00 42.92 44.60 1smv s ASP 212 CO 0.16 -0.21 2.02 0.58 -0.17 0.00 0.00 175.17 177.55 1smv h VAL 213 N 5.10 1.00 0.00 1.11 2.07 -1.81 -1.56 116.25 122.15 1smv h VAL 213 Ca -0.33 -0.17 0.00 0.00 0.82 0.00 0.00 66.70 67.03 1smv h VAL 213 Cb 1.20 0.47 0.00 0.00 -1.52 0.00 0.00 31.29 31.43 1smv h VAL 213 CO 0.22 0.09 0.00 0.78 0.02 0.00 0.00 177.57 178.68 1smv h ASN 214 N 0.49 0.00 0.32 0.57 2.35 -1.94 0.20 115.58 117.57 1smv h ASN 214 Ca 0.22 0.00 0.00 0.00 -0.55 0.00 0.00 56.30 55.97 1smv h ASN 214 Cb 0.24 0.00 0.00 0.00 0.05 0.00 0.00 38.32 38.61 1smv h ASN 214 CO -0.06 0.00 0.00 -0.38 -1.65 0.00 0.00 177.43 175.34 1smv n ILE 215 N -2.89 1.04 0.09 2.81 5.41 -0.59 -1.79 119.36 123.44 1smv n ILE 215 Ca -0.02 0.49 -0.06 0.00 1.00 0.00 0.00 62.75 64.15 1smv n ILE 215 Cb 0.11 -1.44 -0.01 0.00 -0.71 0.00 0.00 39.64 37.59 1smv n ILE 215 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 176.55 176.55 1smv h ALA 216 N 2.14 0.57 -0.04 -1.39 0.00 -1.14 -3.27 119.26 116.12 1smv h ALA 216 Ca 0.00 -0.76 -0.01 0.00 0.00 0.00 0.00 54.91 54.15 1smv h ALA 216 Cb 0.16 -0.11 -0.00 0.00 0.00 0.00 0.00 17.79 17.84 1smv h ALA 216 CO 0.00 1.01 -0.00 1.79 0.00 0.00 0.00 179.25 182.05 1smv h THR 217 N 0.03 1.03 0.00 0.00 1.35 -1.52 0.22 112.91 114.03 1smv h THR 217 Ca -0.02 -0.12 0.00 0.00 -0.55 0.00 0.00 66.41 65.72 1smv h THR 217 Cb 1.51 1.01 0.00 0.00 -1.73 0.00 0.00 68.15 68.94 1smv h THR 217 CO 0.12 0.04 0.00 0.47 -0.25 0.00 0.00 175.52 175.90 1smv n ASP 218 N -4.50 0.69 -0.05 5.36 8.00 -1.23 -4.27 116.55 120.54 1smv n ASP 218 Ca -0.02 0.63 -0.06 0.00 0.71 0.00 0.00 54.79 56.05 1smv n ASP 218 Cb 0.11 -0.79 -0.07 0.00 -0.02 0.00 0.00 41.12 40.35 1smv n ASP 218 CO 0.00 0.00 0.00 0.18 -0.39 0.00 0.00 177.20 176.99 1smv n LEU 219 N -2.22 0.95 -4.23 0.64 4.32 0.71 -4.81 117.00 112.36 1smv n LEU 219 Ca 0.03 -0.02 -0.29 0.00 -0.02 0.00 0.00 56.01 55.71 1smv n LEU 219 Cb 0.29 0.02 -0.16 0.00 -1.62 0.00 0.00 43.42 41.95 1smv n LEU 219 CO 0.23 0.38 -0.54 0.68 -1.22 0.00 0.00 177.39 176.92 1smv s VAL 220 N -2.23 1.83 0.16 4.08 -7.23 -0.71 -4.63 120.40 111.66 1smv s VAL 220 Ca -0.08 -0.95 -0.01 0.00 -1.81 0.00 0.00 61.98 59.13 1smv s VAL 220 Cb 0.03 -1.55 -0.14 0.00 0.56 0.00 0.00 36.38 35.28 1smv s VAL 220 CO 0.35 0.51 1.37 1.55 -0.31 0.00 0.00 175.10 178.58 1smv h PRO 221 N 6.03 0.33 -2.21 4.82 0.13 -1.88 -3.43 132.00 135.79 1smv h PRO 221 Ca -0.34 -0.33 0.22 0.00 -0.87 0.00 0.00 66.00 64.69 1smv h PRO 221 Cb 1.17 0.09 -0.07 0.00 0.13 0.00 0.00 31.00 32.31 1smv h PRO 221 CO 0.47 1.00 0.64 0.00 -0.23 0.00 0.00 178.00 179.89 1smv s ALA 222 N -3.37 -1.84 0.01 -0.56 0.00 -1.26 -4.75 121.76 110.00 1smv s ALA 222 Ca -0.05 0.05 0.02 0.00 0.00 0.00 0.00 51.96 51.98 1smv s ALA 222 Cb 0.10 0.66 -0.01 0.00 0.00 0.00 0.00 23.12 23.87 1smv s ALA 222 CO 0.84 -1.07 -0.05 -0.98 0.00 0.00 0.00 175.76 174.50 1smv s ARG 223 N -2.53 0.40 -0.24 0.00 1.70 -0.56 -0.52 118.95 117.20 1smv s ARG 223 Ca 0.18 -0.38 -0.14 0.00 -0.47 0.00 0.00 55.73 54.93 1smv s ARG 223 Cb -0.00 -0.29 -0.04 0.00 -0.57 0.00 0.00 34.95 34.04 1smv s ARG 223 CO 0.02 0.07 0.31 -1.17 -1.08 0.00 0.00 175.30 173.45 1smv s LEU 224 N -0.67 4.10 -0.09 -1.89 2.96 1.00 -1.55 118.68 122.53 1smv s LEU 224 Ca -0.03 0.29 -0.05 0.00 -0.22 0.00 0.00 54.13 54.12 1smv s LEU 224 Cb -0.05 -2.34 -0.04 0.00 0.50 0.00 0.00 46.19 44.26 1smv s LEU 224 CO -0.00 -0.07 0.10 0.68 -1.32 0.00 0.00 176.35 175.74 1smv s VAL 225 N 1.51 5.09 -0.07 1.68 -7.23 0.23 -0.26 120.40 121.34 1smv s VAL 225 Ca 0.14 -0.01 0.03 0.00 -1.81 0.00 0.00 61.98 60.33 1smv s VAL 225 Cb -0.15 -3.22 0.01 0.00 0.56 0.00 0.00 36.38 33.57 1smv s VAL 225 CO 0.08 0.56 -0.17 -0.63 -0.31 0.00 0.00 175.10 174.63 1smv s ILE 226 N -1.03 1.49 -0.03 -0.62 1.01 0.15 -2.08 121.20 120.09 1smv s ILE 226 Ca 0.16 -0.70 0.03 0.00 0.00 0.00 0.00 60.65 60.15 1smv s ILE 226 Cb -0.12 -1.32 0.00 0.00 0.01 0.00 0.00 42.46 41.04 1smv s ILE 226 CO 0.06 0.43 -0.12 0.00 0.00 0.00 0.00 174.94 175.32 1smv s ALA 227 N 0.46 1.08 -0.05 9.38 0.00 -0.13 -0.20 121.76 132.30 1smv s ALA 227 Ca -0.14 -0.44 0.03 0.00 0.00 0.00 0.00 51.96 51.41 1smv s ALA 227 Cb -0.16 -0.39 0.01 0.00 0.00 0.00 0.00 23.12 22.57 1smv s ALA 227 CO 0.05 0.17 -0.12 -0.51 0.00 0.00 0.00 175.76 175.35 1smv s LEU 228 N 0.20 1.75 0.00 0.00 1.02 -1.12 -0.94 118.68 119.58 1smv s LEU 228 Ca -0.04 -0.28 0.00 0.00 0.02 0.00 0.00 54.13 53.83 1smv s LEU 228 Cb -0.10 -0.78 0.00 0.00 0.02 0.00 0.00 46.19 45.33 1smv s LEU 228 CO 0.01 0.07 0.00 0.00 0.02 0.00 0.00 176.35 176.45 1smv n LEU 229 N 3.49 0.00 -0.81 1.79 -0.00 -1.11 -2.17 117.00 118.19 1smv n LEU 229 Ca -0.20 0.00 -0.11 0.00 -0.00 0.00 0.00 56.01 55.70 1smv n LEU 229 Cb 0.53 0.00 -0.05 0.00 -0.00 0.00 0.00 43.42 43.90 1smv n LEU 229 CO 0.25 0.00 -0.10 0.47 -0.00 0.00 0.00 177.39 178.01 1smv n ASP 230 N -1.09 -4.60 -4.01 1.45 8.00 -1.25 -1.28 116.55 113.76 1smv n ASP 230 Ca 0.00 0.26 -0.30 0.00 0.71 0.00 0.00 54.79 55.46 1smv n ASP 230 Cb 0.00 -3.03 0.21 0.00 -0.02 0.00 0.00 41.12 38.28 1smv n ASP 230 CO 0.00 0.00 0.00 -0.83 -0.39 0.00 0.00 177.20 175.98 1smv s GLY 231 N -2.71 1.67 -0.09 0.44 0.00 0.52 -2.06 107.32 105.08 1smv s GLY 231 Ca 0.00 -1.03 0.13 0.00 0.00 0.00 0.00 44.72 43.82 1smv s GLY 231 CO 0.00 -0.21 0.14 -1.14 0.00 0.00 0.00 173.10 171.89 1smv n SER 232 N -4.28 1.73 -4.86 1.64 3.41 -1.26 -4.12 113.62 105.89 1smv n SER 232 Ca 0.14 0.00 -0.27 0.00 -0.26 0.00 0.00 58.87 58.48 1smv n SER 232 Cb 0.59 1.13 -0.04 0.00 -0.26 0.00 0.00 64.21 65.63 1smv n SER 232 CO 0.00 0.00 0.00 -0.55 -0.16 0.00 0.00 175.04 174.33 1smv s SER 233 N -4.27 5.89 0.09 4.04 0.15 -1.26 -4.80 113.70 113.54 1smv s SER 233 Ca -0.06 0.02 0.26 0.00 0.70 0.00 0.00 55.95 56.87 1smv s SER 233 Cb 0.06 -1.66 0.70 0.00 -1.71 0.00 0.00 66.02 63.41 1smv s SER 233 CO 0.56 0.08 1.59 -1.54 1.20 0.00 0.00 173.24 175.13 1smv n SER 234 N -0.33 0.52 -4.49 5.45 3.41 -1.26 -0.36 113.62 116.56 1smv n SER 234 Ca -0.08 0.23 -0.34 0.00 -0.26 0.00 0.00 58.87 58.43 1smv n SER 234 Cb 0.54 -0.20 -0.12 0.00 -0.26 0.00 0.00 64.21 64.17 1smv n SER 234 CO 0.00 0.00 0.00 0.28 -0.16 0.00 0.00 175.04 175.16 1smv s THR 235 N -3.08 3.62 0.04 6.66 -1.32 -1.26 -4.78 115.64 115.52 1smv s THR 235 Ca 0.10 -0.47 -0.37 0.00 -1.21 0.00 0.00 61.69 59.73 1smv s THR 235 Cb 0.15 -2.54 -0.17 0.00 -1.51 0.00 0.00 72.50 68.44 1smv s THR 235 CO 0.64 0.53 1.35 0.00 -2.21 0.00 0.00 174.62 174.94 1smv n ALA 236 N 3.11 -1.18 -2.60 11.08 0.00 -1.26 -4.80 120.51 124.86 1smv n ALA 236 Ca -0.18 0.51 -0.34 0.00 0.00 0.00 0.00 53.44 53.44 1smv n ALA 236 Cb 0.53 -2.06 -0.12 0.00 0.00 0.00 0.00 19.45 17.80 1smv n ALA 236 CO 0.00 0.00 0.00 0.08 0.00 0.00 0.00 177.50 177.58 1smv s VAL 237 N 0.74 3.51 0.01 0.00 1.01 -0.66 -4.89 120.40 120.13 1smv s VAL 237 Ca 0.87 -0.55 -0.30 0.00 0.00 0.00 0.00 61.98 62.00 1smv s VAL 237 Cb -1.00 -2.43 -0.07 0.00 0.00 0.00 0.00 36.38 32.88 1smv s VAL 237 CO 0.50 0.59 1.55 0.00 0.00 0.00 0.00 175.10 177.73 1smv s ALA 238 N -0.67 3.63 -0.11 5.51 0.00 -1.26 -0.40 121.76 128.47 1smv s ALA 238 Ca 0.10 1.02 -0.13 0.00 0.00 0.00 0.00 51.96 52.95 1smv s ALA 238 Cb -0.11 -3.67 -0.04 0.00 0.00 0.00 0.00 23.12 19.30 1smv s ALA 238 CO 0.01 -1.09 -0.25 0.00 0.00 0.00 0.00 175.76 174.43 1smv n ALA 239 N 5.83 1.27 -3.00 0.00 0.00 -0.14 -4.56 120.51 119.91 1smv n ALA 239 Ca 0.15 -0.60 0.00 0.00 0.00 0.00 0.00 53.44 52.99 1smv n ALA 239 Cb 0.42 0.07 0.00 0.00 0.00 0.00 0.00 19.45 19.94 1smv n ALA 239 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1smv n GLY 240 N 1.90 1.77 3.05 0.00 0.00 -1.15 -0.38 105.19 110.38 1smv n GLY 240 Ca -0.10 -0.64 -0.09 0.00 0.00 0.00 0.00 46.02 45.19 1smv n GLY 240 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 1smv s ARG 241 N 1.09 0.51 -0.17 1.61 0.52 0.01 -0.45 118.95 122.06 1smv s ARG 241 Ca 0.00 -0.94 -0.05 0.00 -0.52 0.00 0.00 55.73 54.22 1smv s ARG 241 Cb 0.00 0.07 -0.03 0.00 0.52 0.00 0.00 34.95 35.51 1smv s ARG 241 CO 0.00 -0.06 -0.01 0.42 0.02 0.00 0.00 175.30 175.67 1smv s ILE 242 N -2.64 4.08 0.11 1.52 1.01 0.12 -0.82 121.20 124.58 1smv s ILE 242 Ca -0.03 -0.28 0.07 0.00 0.00 0.00 0.00 60.65 60.40 1smv s ILE 242 Cb -0.01 -2.81 -0.04 0.00 0.01 0.00 0.00 42.46 39.60 1smv s ILE 242 CO -0.05 0.47 -0.09 -0.31 0.00 0.00 0.00 174.94 174.96 1smv s TYR 243 N 0.55 2.75 -0.08 3.97 1.51 -0.10 -0.48 117.35 125.48 1smv s TYR 243 Ca -0.01 -0.15 0.04 0.00 -1.01 0.00 0.00 57.07 55.93 1smv s TYR 243 Cb -0.14 -1.43 -0.01 0.00 -0.11 0.00 0.00 41.96 40.27 1smv s TYR 243 CO 0.02 0.44 -0.20 0.34 -1.11 0.00 0.00 175.55 175.04 1smv s ASP 244 N -2.26 3.46 -0.21 2.29 -1.08 -0.07 -1.13 116.67 117.67 1smv s ASP 244 Ca 0.22 -0.42 0.01 0.00 -0.52 0.00 0.00 52.55 51.84 1smv s ASP 244 Cb -0.11 -1.08 0.04 0.00 -1.46 0.00 0.00 42.92 40.31 1smv s ASP 244 CO 0.14 0.24 -0.12 -0.89 0.52 0.00 0.00 175.17 175.06 1smv s THR 245 N -0.09 1.83 0.23 1.71 2.01 0.04 -1.50 115.64 119.86 1smv s THR 245 Ca -0.04 -1.14 0.04 0.00 0.31 0.00 0.00 61.69 60.86 1smv s THR 245 Cb -0.14 -1.87 -0.05 0.00 0.01 0.00 0.00 72.50 70.45 1smv s THR 245 CO 0.04 0.18 -0.02 -0.72 -0.69 0.00 0.00 174.62 173.41 1smv s TYR 246 N 1.31 1.61 -0.05 4.92 -0.85 -0.11 -1.30 117.35 122.89 1smv s TYR 246 Ca -0.02 -0.87 -0.00 0.00 -0.52 0.00 0.00 57.07 55.66 1smv s TYR 246 Cb -0.17 -0.92 0.03 0.00 0.38 0.00 0.00 41.96 41.28 1smv s TYR 246 CO -0.08 0.03 -0.01 0.99 -1.52 0.00 0.00 175.55 174.96 1smv s THR 247 N -3.33 0.34 0.02 -3.49 2.01 0.14 -1.05 115.64 110.28 1smv s THR 247 Ca 0.28 0.06 0.01 0.00 0.31 0.00 0.00 61.69 62.35 1smv s THR 247 Cb 0.05 -0.45 -0.01 0.00 0.01 0.00 0.00 72.50 72.10 1smv s THR 247 CO 0.09 0.21 -0.05 -0.51 -0.69 0.00 0.00 174.62 173.67 1smv s ILE 248 N 1.42 0.35 -0.14 1.82 2.07 -0.22 -0.78 121.20 125.73 1smv s ILE 248 Ca -0.04 -0.66 -0.02 0.00 -1.41 0.00 0.00 60.65 58.52 1smv s ILE 248 Cb -0.13 -0.39 -0.02 0.00 0.13 0.00 0.00 42.46 42.04 1smv s ILE 248 CO -0.03 -0.21 -0.07 -1.10 -1.91 0.00 0.00 174.94 171.63 1smv s GLN 249 N -0.94 3.46 0.10 3.50 -0.21 0.09 -1.66 119.66 124.00 1smv s GLN 249 Ca -0.06 -0.56 0.10 0.00 0.02 0.00 0.00 55.36 54.85 1smv s GLN 249 Cb -0.06 -2.79 -0.04 0.00 1.00 0.00 0.00 33.01 31.12 1smv s GLN 249 CO -0.00 0.30 -0.25 -1.64 -2.12 0.00 0.00 175.29 171.58 1smv s MET 250 N 0.17 1.59 0.23 2.91 -1.94 -0.49 -0.64 119.30 121.13 1smv s MET 250 Ca -0.03 -1.25 -0.02 0.00 -1.71 0.00 0.00 55.69 52.68 1smv s MET 250 Cb -0.14 -1.96 -0.03 0.00 2.01 0.00 0.00 34.83 34.71 1smv s MET 250 CO 0.03 0.48 0.23 0.96 -0.01 0.00 0.00 175.02 176.71 1smv s ILE 251 N -0.99 0.00 -0.76 2.53 -4.36 -0.74 -2.15 121.20 114.73 1smv s ILE 251 Ca 0.14 -1.87 -0.01 0.00 -0.26 0.00 0.00 60.65 58.65 1smv s ILE 251 Cb -0.10 -2.45 0.00 0.00 1.25 0.00 0.00 42.46 41.16 1smv s ILE 251 CO 0.05 0.00 0.65 -0.62 0.24 0.00 0.00 174.94 175.27 1smv n GLU 252 N -0.35 -1.47 -1.15 0.37 1.02 -1.26 -1.90 120.64 115.91 1smv n GLU 252 Ca 0.02 1.19 -0.36 0.00 -0.02 0.00 0.00 57.16 57.99 1smv n GLU 252 Cb 0.65 -4.14 0.06 0.00 -0.02 0.00 0.00 31.44 27.98 1smv n GLU 252 CO 0.00 0.00 0.00 -2.30 1.18 0.00 0.00 177.13 176.01 1smv n PRO 253 N -2.06 0.12 -3.48 3.49 -0.02 -1.26 -0.54 135.00 131.25 1smv n PRO 253 Ca -0.14 0.07 -0.15 0.00 -2.02 0.00 0.00 63.50 61.27 1smv n PRO 253 Cb 0.59 -1.59 -0.04 0.00 -0.02 0.00 0.00 33.50 32.44 1smv n PRO 253 CO 0.00 0.00 0.00 -0.08 1.98 0.00 0.00 175.50 177.40 1smv s THR 254 N -2.01 0.00 0.13 3.45 -1.32 -0.43 -4.68 115.64 110.78 1smv s THR 254 Ca 0.59 0.00 -0.31 0.00 -1.21 0.00 0.00 61.69 60.76 1smv s THR 254 Cb -0.32 -1.00 -0.08 0.00 -1.51 0.00 0.00 72.50 69.59 1smv s THR 254 CO 0.64 0.00 1.29 0.00 -2.21 0.00 0.00 174.62 174.35 1smv s ALA 255 N -2.28 3.50 0.45 11.08 0.00 -1.26 -4.40 121.76 128.85 1smv s ALA 255 Ca -0.05 1.02 0.20 0.00 0.00 0.00 0.00 51.96 53.14 1smv s ALA 255 Cb -0.00 -3.48 1.18 0.00 0.00 0.00 0.00 23.12 20.81 1smv s ALA 255 CO -0.00 -0.51 1.89 0.66 0.00 0.00 0.00 175.76 177.79 1smv h SER 256 N 6.25 0.29 0.24 0.00 4.64 -1.88 -1.98 113.55 121.10 1smv h SER 256 Ca -0.43 0.03 0.00 0.00 -0.47 0.00 0.00 61.79 60.92 1smv h SER 256 Cb 1.21 -0.03 0.00 0.00 -0.31 0.00 0.00 62.40 63.27 1smv h SER 256 CO 0.81 0.12 0.00 0.00 -0.87 0.00 0.00 176.83 176.90 1smv h ALA 257 N 1.62 1.00 0.00 5.18 0.00 -1.89 -1.43 119.26 123.74 1smv h ALA 257 Ca 0.42 0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.33 1smv h ALA 257 Cb 1.18 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.97 1smv h ALA 257 CO -0.12 0.00 -0.92 1.28 0.00 0.00 0.00 179.25 179.50 1smv n LEU 258 N -3.02 0.68 -4.59 0.00 4.77 -0.74 -4.89 117.00 109.21 1smv n LEU 258 Ca -0.02 0.16 -0.42 0.00 -0.03 0.00 0.00 56.01 55.70 1smv n LEU 258 Cb 0.12 -0.11 -0.02 0.00 -2.33 0.00 0.00 43.42 41.08 1smv n LEU 258 CO 0.21 -0.05 1.16 0.21 -1.33 0.00 0.00 177.39 177.59 1smv s ASN 259 N -4.43 6.37 0.00 -1.43 3.84 -0.54 -5.08 114.94 113.66 1smv s ASN 259 Ca 0.03 0.43 0.07 0.00 0.21 0.00 0.00 52.86 53.61 1smv s ASN 259 Cb 0.13 -2.55 0.06 0.00 -0.55 0.00 0.00 41.25 38.34 1smv s ASN 259 CO 0.77 -1.48 0.73 0.18 -2.79 0.00 0.00 177.10 174.51