#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1why s SER 75 N 0.00 -0.53 0.31 1.61 0.15 -1.26 -5.18 113.70 108.80 1why s SER 75 Ca 0.00 0.70 -0.15 0.00 0.70 0.00 0.00 55.95 57.20 1why s SER 75 Cb 0.00 0.68 0.02 0.00 -1.71 0.00 0.00 66.02 65.01 1why s SER 75 CO 0.00 -0.45 0.65 -0.44 1.20 0.00 0.00 173.24 174.20 1why s SER 76 N -0.79 -0.00 0.22 5.45 0.01 -1.26 -5.19 113.70 112.14 1why s SER 76 Ca -0.08 -0.94 -0.23 0.00 1.31 0.00 0.00 55.95 56.00 1why s SER 76 Cb -0.02 0.72 0.04 0.00 0.21 0.00 0.00 66.02 66.97 1why s SER 76 CO 0.06 -1.39 0.81 -0.83 0.41 0.00 0.00 173.24 172.30 1why s GLY 77 N -3.02 -0.17 -0.30 3.44 0.00 -1.26 -5.16 107.32 100.84 1why s GLY 77 Ca 0.17 -0.09 -0.10 0.00 0.00 0.00 0.00 44.72 44.70 1why s GLY 77 CO 0.10 -0.04 0.89 -1.35 0.00 0.00 0.00 173.10 172.71 1why s SER 78 N -2.91 -0.77 0.04 1.64 1.04 -1.26 -5.17 113.70 106.30 1why s SER 78 Ca 0.11 0.67 0.02 0.00 0.48 0.00 0.00 55.95 57.23 1why s SER 78 Cb -0.04 1.72 -0.02 0.00 0.10 0.00 0.00 66.02 67.78 1why s SER 78 CO 0.04 -0.15 -0.08 -0.94 0.98 0.00 0.00 173.24 173.10 1why s SER 79 N 2.78 0.86 0.00 7.02 1.04 -1.26 -4.98 113.70 119.16 1why s SER 79 Ca 0.04 -0.52 0.00 0.00 0.48 0.00 0.00 55.95 55.95 1why s SER 79 Cb -0.10 0.03 0.00 0.00 0.10 0.00 0.00 66.02 66.04 1why s SER 79 CO -0.16 -0.18 0.00 0.61 0.98 0.00 0.00 173.24 174.49 1why n GLY 80 N 1.57 0.78 3.56 7.32 0.00 -1.26 -5.01 105.19 112.16 1why n GLY 80 Ca -0.22 -0.77 -0.33 0.00 0.00 0.00 0.00 46.02 44.70 1why n GLY 80 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1why s LYS 81 N -1.58 2.91 -1.48 1.61 1.02 -1.26 -4.15 119.74 116.81 1why s LYS 81 Ca 0.00 -0.47 -0.13 0.00 0.02 0.00 0.00 55.97 55.38 1why s LYS 81 Cb 0.00 -5.06 0.13 0.00 -0.52 0.00 0.00 37.83 32.39 1why s LYS 81 CO 0.00 -2.90 0.34 0.44 -0.92 0.00 0.00 175.35 172.30 1why n ILE 82 N 7.44 -0.28 -0.69 2.17 -5.35 -1.26 -4.36 119.36 117.04 1why n ILE 82 Ca 0.35 -0.14 0.08 0.00 -0.27 0.00 0.00 62.75 62.77 1why n ILE 82 Cb 0.49 -0.55 -0.04 0.00 -1.74 0.00 0.00 39.64 37.79 1why n ILE 82 CO 0.00 0.00 0.00 0.61 -1.76 0.00 0.00 176.55 175.40 1why n GLY 83 N -1.42 -2.84 2.30 3.28 0.00 -1.26 -4.48 105.19 100.77 1why n GLY 83 Ca -0.02 -1.27 -0.28 0.00 0.00 0.00 0.00 46.02 44.45 1why n GLY 83 CO 0.00 0.00 0.00 -1.72 0.00 0.00 0.00 173.32 171.60 1why n TYR 84 N -3.18 2.34 0.00 1.61 4.02 -1.26 -4.95 117.16 115.74 1why n TYR 84 Ca -0.04 -2.38 0.00 0.00 -0.01 0.00 0.00 57.90 55.47 1why n TYR 84 Cb 0.33 -1.24 0.00 0.00 -0.02 0.00 0.00 39.34 38.41 1why n TYR 84 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 176.86 176.26 1why n GLY 85 N -0.12 0.51 3.39 2.72 0.00 -1.26 -5.12 105.19 105.31 1why n GLY 85 Ca 0.48 -1.22 -0.13 0.00 0.00 0.00 0.00 46.02 45.15 1why n GLY 85 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 1why s LYS 86 N -1.49 1.09 0.42 1.61 2.47 -1.26 -5.10 119.74 117.48 1why s LYS 86 Ca 0.00 -0.32 0.08 0.00 -1.56 0.00 0.00 55.97 54.17 1why s LYS 86 Cb 0.00 0.50 -0.02 0.00 -1.46 0.00 0.00 37.83 36.85 1why s LYS 86 CO 0.00 -0.41 0.38 0.00 0.16 0.00 0.00 175.35 175.48 1why s ALA 87 N -2.81 4.08 0.19 3.13 0.00 -1.26 -5.11 121.76 119.99 1why s ALA 87 Ca -0.03 -1.88 -0.25 0.00 0.00 0.00 0.00 51.96 49.80 1why s ALA 87 Cb -0.00 -1.02 -0.08 0.00 0.00 0.00 0.00 23.12 22.02 1why s ALA 87 CO -0.05 -0.23 0.79 1.21 0.00 0.00 0.00 175.76 177.48 1why s ASN 88 N -4.14 7.34 0.71 0.00 2.47 -1.26 -5.02 114.94 115.05 1why s ASN 88 Ca 0.48 1.64 -0.13 0.00 0.42 0.00 0.00 52.86 55.27 1why s ASN 88 Cb -0.03 -2.50 0.03 0.00 -1.45 0.00 0.00 41.25 37.30 1why s ASN 88 CO 0.28 0.15 1.10 -2.16 -3.72 0.00 0.00 177.10 172.75 1why s PRO 89 N -1.37 2.54 0.16 0.43 0.04 -1.26 -4.67 135.00 130.87 1why s PRO 89 Ca 0.38 1.29 -0.24 0.00 0.04 0.00 0.00 61.00 62.47 1why s PRO 89 Cb -0.22 -1.92 0.07 0.00 0.04 0.00 0.00 34.50 32.46 1why s PRO 89 CO 0.25 -1.44 0.98 -0.08 0.04 0.00 0.00 177.00 176.75 1why s THR 90 N -2.61 0.00 -0.11 1.26 -1.32 -1.26 -4.97 115.64 106.63 1why s THR 90 Ca 0.64 -0.65 0.00 0.00 -1.21 0.00 0.00 61.69 60.47 1why s THR 90 Cb -0.19 -2.15 0.12 0.00 -1.51 0.00 0.00 72.50 68.77 1why s THR 90 CO 0.48 0.00 1.50 0.35 -2.21 0.00 0.00 174.62 174.75 1why n THR 91 N -0.51 1.80 -3.66 5.08 -2.24 -1.26 -4.50 114.28 108.99 1why n THR 91 Ca -0.06 -0.63 -0.07 0.00 -2.27 0.00 0.00 64.05 61.02 1why n THR 91 Cb 0.61 -1.09 -0.08 0.00 -2.10 0.00 0.00 70.33 67.66 1why n THR 91 CO 0.00 0.00 0.00 -0.60 -0.57 0.00 0.00 175.07 173.90 1why s ARG 92 N -0.74 0.51 0.14 -0.78 3.52 -1.26 -1.80 118.95 118.55 1why s ARG 92 Ca 0.13 1.09 0.09 0.00 -0.13 0.00 0.00 55.73 56.91 1why s ARG 92 Cb 0.10 0.25 -0.04 0.00 -1.56 0.00 0.00 34.95 33.70 1why s ARG 92 CO 0.01 -0.18 -0.16 -0.51 -0.81 0.00 0.00 175.30 173.65 1why s LEU 93 N 1.97 2.77 -0.30 -0.88 1.43 -0.75 -1.37 118.68 121.54 1why s LEU 93 Ca -0.08 -0.59 -0.08 0.00 -1.03 0.00 0.00 54.13 52.35 1why s LEU 93 Cb -0.09 -1.55 -0.00 0.00 0.03 0.00 0.00 46.19 44.59 1why s LEU 93 CO -0.16 0.15 0.12 0.86 0.23 0.00 0.00 176.35 177.54 1why s TRP 94 N -1.38 3.16 -0.26 0.29 -0.00 -0.57 -2.58 118.94 117.59 1why s TRP 94 Ca 0.21 -0.73 -0.07 0.00 -0.00 0.00 0.00 56.10 55.51 1why s TRP 94 Cb -0.10 -2.30 -0.01 0.00 -0.00 0.00 0.00 33.47 31.06 1why s TRP 94 CO 0.12 -0.50 0.07 0.08 -0.00 0.00 0.00 176.95 176.71 1why s VAL 95 N 1.57 4.11 0.47 5.86 1.01 -0.09 -1.85 120.40 131.47 1why s VAL 95 Ca 0.04 -0.39 0.02 0.00 0.00 0.00 0.00 61.98 61.66 1why s VAL 95 Cb -0.17 -2.99 -0.02 0.00 0.00 0.00 0.00 36.38 33.20 1why s VAL 95 CO 0.04 0.25 0.04 -0.83 0.00 0.00 0.00 175.10 174.61 1why s GLY 96 N 1.56 2.84 -0.59 4.51 0.00 -0.88 -0.61 107.32 114.16 1why s GLY 96 Ca 0.05 -0.81 -0.01 0.00 0.00 0.00 0.00 44.72 43.95 1why s GLY 96 CO 0.03 -2.07 0.50 0.61 0.00 0.00 0.00 173.10 172.16 1why n GLY 97 N -1.12 -0.02 3.69 0.20 0.00 -1.25 -3.44 105.19 103.25 1why n GLY 97 Ca -0.14 -0.09 -0.35 0.00 0.00 0.00 0.00 46.02 45.44 1why n GLY 97 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1why s LEU 98 N -4.23 3.72 0.00 0.99 1.43 -1.25 -4.86 118.68 114.48 1why s LEU 98 Ca 0.06 0.16 0.00 0.00 -1.03 0.00 0.00 54.13 53.32 1why s LEU 98 Cb -0.01 -1.88 0.00 0.00 0.03 0.00 0.00 46.19 44.33 1why s LEU 98 CO 0.38 0.33 0.00 0.61 0.23 0.00 0.00 176.35 177.90 1why n GLY 99 N 2.47 4.70 0.22 -3.19 0.00 -1.26 -4.96 105.19 103.16 1why n GLY 99 Ca -0.18 -2.12 -0.07 0.00 0.00 0.00 0.00 46.02 43.64 1why n GLY 99 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1why h PRO 100 N 0.00 0.53 0.56 1.61 0.13 -2.04 -3.28 132.00 129.50 1why h PRO 100 Ca 0.00 -0.28 -0.03 0.00 -0.87 0.00 0.00 66.00 64.82 1why h PRO 100 Cb 0.00 0.01 0.01 0.00 0.13 0.00 0.00 31.00 31.14 1why h PRO 100 CO 0.00 0.86 -0.27 -2.95 -0.23 0.00 0.00 178.00 175.41 1why h ASN 101 N 0.43 -0.63 -1.55 1.44 7.08 -2.03 -3.43 115.58 116.89 1why h ASN 101 Ca 0.03 -0.04 -0.73 0.00 -3.08 0.00 0.00 56.30 52.48 1why h ASN 101 Cb 0.93 0.16 0.03 0.00 -2.08 0.00 0.00 38.32 37.36 1why h ASN 101 CO 0.08 -0.32 0.69 0.41 -2.08 0.00 0.00 177.43 176.21 1why n THR 102 N -5.34 0.17 -4.85 6.14 -1.04 -1.24 -4.95 114.28 103.17 1why n THR 102 Ca -0.12 -0.03 -0.33 0.00 -2.04 0.00 0.00 64.05 61.54 1why n THR 102 Cb 0.33 -0.99 -0.13 0.00 -1.82 0.00 0.00 70.33 67.72 1why n THR 102 CO 0.00 0.00 0.00 -0.55 -0.64 0.00 0.00 175.07 173.88 1why s SER 103 N 2.22 4.07 0.06 8.00 0.15 -1.26 -4.79 113.70 122.15 1why s SER 103 Ca 0.93 -0.21 -0.12 0.00 0.70 0.00 0.00 55.95 57.25 1why s SER 103 Cb -1.05 -1.03 -0.03 0.00 -1.71 0.00 0.00 66.02 62.20 1why s SER 103 CO 0.59 0.31 1.15 -0.11 1.20 0.00 0.00 173.24 176.38 1why n LEU 104 N 2.56 -0.42 -0.31 3.45 -0.00 -1.26 -0.60 117.00 120.42 1why n LEU 104 Ca -0.17 1.24 -0.03 0.00 -0.00 0.00 0.00 56.01 57.05 1why n LEU 104 Cb 0.52 -0.36 0.02 0.00 -0.00 0.00 0.00 43.42 43.60 1why n LEU 104 CO 0.27 -0.84 0.60 0.00 -0.00 0.00 0.00 177.39 177.41 1why h ALA 105 N -0.35 0.05 -0.53 1.96 0.00 -1.98 0.35 119.26 118.77 1why h ALA 105 Ca 0.06 0.23 0.05 0.00 0.00 0.00 0.00 54.91 55.25 1why h ALA 105 Cb 0.16 0.93 -0.06 0.00 0.00 0.00 0.00 17.79 18.82 1why h ALA 105 CO -0.37 -0.66 -0.31 0.00 0.00 0.00 0.00 179.25 177.91 1why n ALA 106 N -3.33 -0.34 0.52 0.00 0.00 0.23 -0.27 120.51 117.31 1why n ALA 106 Ca 0.07 0.45 -0.20 0.00 0.00 0.00 0.00 53.44 53.76 1why n ALA 106 Cb 0.38 0.15 -0.10 0.00 0.00 0.00 0.00 19.45 19.88 1why n ALA 106 CO 0.00 0.00 0.00 -0.07 0.00 0.00 0.00 177.50 177.43 1why h LEU 107 N 0.00 -1.11 -0.82 0.00 3.38 -0.99 -2.83 115.31 112.94 1why h LEU 107 Ca 0.08 0.04 0.20 0.00 0.09 0.00 0.00 57.88 58.29 1why h LEU 107 Cb 0.22 0.29 -0.15 0.00 0.09 0.00 0.00 40.66 41.10 1why h LEU 107 CO -0.50 -0.78 -0.08 0.00 0.09 0.00 0.00 178.44 177.18 1why n ALA 108 N -2.67 0.33 0.43 1.53 0.00 0.01 -0.12 120.51 120.02 1why n ALA 108 Ca -0.16 0.89 -0.19 0.00 0.00 0.00 0.00 53.44 53.97 1why n ALA 108 Cb 0.52 -0.60 -0.10 0.00 0.00 0.00 0.00 19.45 19.27 1why n ALA 108 CO 0.00 0.00 0.00 -0.09 0.00 0.00 0.00 177.50 177.41 1why h ARG 109 N 0.00 -1.13 -0.56 0.00 2.43 -0.47 0.48 114.38 115.14 1why h ARG 109 Ca 0.45 0.08 0.10 0.00 -0.81 0.00 0.00 59.98 59.80 1why h ARG 109 Cb 0.85 0.26 -0.08 0.00 -0.42 0.00 0.00 29.97 30.57 1why h ARG 109 CO -0.81 -0.75 0.10 0.93 -1.51 0.00 0.00 179.97 177.94 1why h GLU 110 N -1.17 0.23 -0.63 0.20 4.39 -0.28 -0.64 114.58 116.67 1why h GLU 110 Ca -0.10 -0.01 -0.06 0.00 0.34 0.00 0.00 59.36 59.52 1why h GLU 110 Cb 0.93 -0.05 -0.03 0.00 -0.10 0.00 0.00 28.75 29.51 1why h GLU 110 CO 0.11 0.15 0.14 0.74 -1.16 0.00 0.00 179.01 179.00 1why h PHE 111 N 0.23 1.04 0.13 4.33 0.04 -0.57 -3.07 116.94 119.08 1why h PHE 111 Ca 0.29 -0.12 0.01 0.00 2.80 0.00 0.00 57.97 60.95 1why h PHE 111 Cb 0.42 -0.30 -0.01 0.00 2.20 0.00 0.00 35.95 38.26 1why h PHE 111 CO -0.25 0.86 -0.14 0.22 -0.60 0.00 0.00 178.31 178.40 1why h ASP 112 N 0.95 -0.37 -0.77 2.17 3.58 0.14 -2.44 116.42 119.69 1why h ASP 112 Ca 0.20 0.04 0.31 0.00 0.42 0.00 0.00 57.03 58.00 1why h ASP 112 Cb 0.35 0.13 -0.13 0.00 1.72 0.00 0.00 39.33 41.41 1why h ASP 112 CO 0.00 -0.21 0.43 0.54 -2.88 0.00 0.00 179.24 177.12 1why n ARG 113 N -5.26 -0.04 0.06 0.28 1.74 -0.57 0.13 116.66 113.00 1why n ARG 113 Ca -0.07 0.99 -0.12 0.00 -0.77 0.00 0.00 57.85 57.88 1why n ARG 113 Cb 0.18 -1.81 -0.08 0.00 -1.02 0.00 0.00 32.46 29.73 1why n ARG 113 CO 0.00 0.00 0.00 0.74 -1.52 0.00 0.00 177.63 176.85 1why h PHE 114 N 0.00 -0.19 -2.68 -1.55 0.04 -1.56 -3.48 116.94 107.52 1why h PHE 114 Ca 0.62 -0.00 0.11 0.00 2.80 0.00 0.00 57.97 61.50 1why h PHE 114 Cb 1.70 0.06 -0.08 0.00 2.20 0.00 0.00 35.95 39.83 1why h PHE 114 CO -0.01 0.23 0.35 0.20 -0.60 0.00 0.00 178.31 178.48 1why s GLY 115 N -3.08 -0.23 0.46 -1.45 0.00 0.34 -4.93 107.32 98.44 1why s GLY 115 Ca -0.14 0.04 -0.25 0.00 0.00 0.00 0.00 44.72 44.37 1why s GLY 115 CO 0.56 0.00 1.43 -1.14 0.00 0.00 0.00 173.10 173.95 1why n SER 116 N -0.44 3.27 -4.42 1.64 3.41 -1.26 -4.18 113.62 111.63 1why n SER 116 Ca -0.06 1.11 -0.33 0.00 -0.26 0.00 0.00 58.87 59.32 1why n SER 116 Cb 0.60 -1.60 -0.13 0.00 -0.26 0.00 0.00 64.21 62.82 1why n SER 116 CO 0.00 0.00 0.00 -0.63 -0.16 0.00 0.00 175.04 174.25 1why s ILE 117 N -1.20 3.43 -0.05 -1.33 1.01 -1.26 -3.01 121.20 118.79 1why s ILE 117 Ca 0.62 -0.52 -0.17 0.00 0.00 0.00 0.00 60.65 60.58 1why s ILE 117 Cb -0.45 -2.47 -0.11 0.00 0.01 0.00 0.00 42.46 39.44 1why s ILE 117 CO 0.57 0.51 0.68 -0.09 0.00 0.00 0.00 174.94 176.61 1why h ARG 118 N 6.74 -0.34 -2.65 2.79 9.65 -1.05 -3.49 114.38 126.04 1why h ARG 118 Ca -0.28 0.02 0.04 0.00 -1.10 0.00 0.00 59.98 58.66 1why h ARG 118 Cb 1.20 0.08 -0.14 0.00 -1.39 0.00 0.00 29.97 29.72 1why h ARG 118 CO 0.59 -0.05 0.34 -0.08 2.80 0.00 0.00 179.97 183.56 1why s THR 119 N -3.20 0.00 -0.08 0.20 -1.32 -1.26 -5.03 115.64 104.94 1why s THR 119 Ca -0.09 0.00 -0.01 0.00 -1.21 0.00 0.00 61.69 60.38 1why s THR 119 Cb 0.01 -1.00 0.03 0.00 -1.51 0.00 0.00 72.50 70.02 1why s THR 119 CO 0.33 0.00 -0.02 -0.63 -2.21 0.00 0.00 174.62 172.08 1why s ILE 120 N -3.40 0.58 -0.13 5.08 1.01 -1.26 -3.23 121.20 119.85 1why s ILE 120 Ca 0.02 -0.01 -0.18 0.00 0.00 0.00 0.00 60.65 60.48 1why s ILE 120 Cb -0.01 -0.69 -0.04 0.00 0.01 0.00 0.00 42.46 41.73 1why s ILE 120 CO -0.11 0.29 0.49 -1.81 0.00 0.00 0.00 174.94 173.80 1why s ASP 121 N 1.85 6.67 0.08 3.58 1.11 -1.18 -4.94 116.67 123.84 1why s ASP 121 Ca 0.04 0.80 0.04 0.00 0.18 0.00 0.00 52.55 53.61 1why s ASP 121 Cb -0.12 -2.29 -0.04 0.00 1.07 0.00 0.00 42.92 41.54 1why s ASP 121 CO -0.06 -0.03 0.00 -2.28 1.18 0.00 0.00 175.17 173.98 1why s HIS 122 N 0.79 3.01 -0.12 4.23 5.65 -1.26 -3.27 115.29 124.30 1why s HIS 122 Ca 0.26 -0.01 -0.11 0.00 0.25 0.00 0.00 55.06 55.45 1why s HIS 122 Cb -0.15 -1.56 0.03 0.00 -1.18 0.00 0.00 32.58 29.73 1why s HIS 122 CO 0.10 0.48 0.32 0.08 -0.65 0.00 0.00 174.74 175.08 1why s VAL 123 N -1.29 -0.00 -0.18 0.89 1.01 -1.21 -5.01 120.40 114.61 1why s VAL 123 Ca 0.25 0.01 -0.16 0.00 0.00 0.00 0.00 61.98 62.08 1why s VAL 123 Cb -0.12 -0.46 -0.12 0.00 0.00 0.00 0.00 36.38 35.68 1why s VAL 123 CO 0.18 0.00 0.04 0.29 0.00 0.00 0.00 175.10 175.61 1why n LYS 124 N 2.99 0.52 0.12 2.72 4.01 -1.26 -2.64 118.16 124.62 1why n LYS 124 Ca -0.14 0.55 -0.10 0.00 -0.51 0.00 0.00 58.31 58.11 1why n LYS 124 Cb 0.58 -1.72 -0.06 0.00 -0.51 0.00 0.00 35.03 33.32 1why n LYS 124 CO 0.00 0.00 0.00 0.78 -1.11 0.00 0.00 177.40 177.07 1why h GLY 125 N -1.00 -1.12 1.11 0.72 0.00 -2.00 -3.05 103.07 97.73 1why h GLY 125 Ca -0.22 0.54 -0.14 0.00 0.00 0.00 0.00 47.33 47.51 1why h GLY 125 CO -0.13 -0.34 -0.29 -0.55 0.00 0.00 0.00 176.54 175.22 1why h ASP 126 N -0.52 1.01 -2.42 0.19 5.19 -2.01 -3.47 116.42 114.38 1why h ASP 126 Ca -0.02 -0.43 -0.13 0.00 -0.62 0.00 0.00 57.03 55.84 1why h ASP 126 Cb 0.48 -0.28 0.04 0.00 0.18 0.00 0.00 39.33 39.76 1why h ASP 126 CO -0.11 1.22 -0.21 -1.20 -3.12 0.00 0.00 179.24 175.82 1why n SER 127 N -4.10 -3.33 -4.50 6.45 7.64 -1.08 -4.94 113.62 109.76 1why n SER 127 Ca -0.01 -0.16 -0.24 0.00 1.01 0.00 0.00 58.87 59.47 1why n SER 127 Cb 0.50 -1.92 -0.10 0.00 -1.01 0.00 0.00 64.21 61.68 1why n SER 127 CO 0.00 0.00 0.00 0.72 -3.01 0.00 0.00 175.04 172.75 1why s PHE 128 N -3.05 2.39 -0.04 1.43 -0.12 -1.25 -3.85 117.98 113.49 1why s PHE 128 Ca 0.17 -0.31 -0.01 0.00 -0.05 0.00 0.00 56.93 56.74 1why s PHE 128 Cb -0.08 -1.06 0.03 0.00 -0.63 0.00 0.00 43.02 41.28 1why s PHE 128 CO 0.21 0.66 0.07 0.00 -0.05 0.00 0.00 175.22 176.12 1why s ALA 129 N -2.33 -0.04 -0.18 1.99 0.00 0.22 -3.32 121.76 118.10 1why s ALA 129 Ca 0.29 0.44 -0.05 0.00 0.00 0.00 0.00 51.96 52.64 1why s ALA 129 Cb -0.06 -0.32 -0.03 0.00 0.00 0.00 0.00 23.12 22.71 1why s ALA 129 CO 0.15 -0.13 -0.00 0.71 0.00 0.00 0.00 175.76 176.49 1why s TYR 130 N 1.11 3.08 -0.17 0.00 2.02 -1.20 -0.92 117.35 121.26 1why s TYR 130 Ca -0.09 -0.26 -0.01 0.00 -0.37 0.00 0.00 57.07 56.34 1why s TYR 130 Cb -0.12 -2.03 -0.00 0.00 -0.40 0.00 0.00 41.96 39.41 1why s TYR 130 CO -0.04 -0.06 -0.12 0.42 -1.57 0.00 0.00 175.55 174.19 1why s ILE 131 N 0.57 2.90 -0.17 2.71 1.01 -1.06 -3.07 121.20 124.07 1why s ILE 131 Ca -0.01 -0.68 -0.05 0.00 0.00 0.00 0.00 60.65 59.91 1why s ILE 131 Cb -0.14 -2.26 -0.03 0.00 0.01 0.00 0.00 42.46 40.04 1why s ILE 131 CO 0.02 0.49 0.01 -1.58 0.00 0.00 0.00 174.94 173.88 1why s GLN 132 N 0.99 3.79 0.06 2.79 2.00 -1.20 -1.82 119.66 126.27 1why s GLN 132 Ca -0.02 -0.45 0.03 0.00 -2.00 0.00 0.00 55.36 52.92 1why s GLN 132 Cb -0.15 -3.06 -0.04 0.00 0.80 0.00 0.00 33.01 30.57 1why s GLN 132 CO -0.02 0.23 0.06 0.71 -0.50 0.00 0.00 175.29 175.77 1why s TYR 133 N 0.44 3.16 -1.20 1.67 2.02 -0.75 -0.37 117.35 122.32 1why s TYR 133 Ca -0.01 0.08 0.22 0.00 -0.37 0.00 0.00 57.07 56.99 1why s TYR 133 Cb -0.13 -1.63 1.04 0.00 -0.40 0.00 0.00 41.96 40.83 1why s TYR 133 CO 0.02 0.51 1.72 0.39 -1.57 0.00 0.00 175.55 176.62 1why n GLU 134 N 0.67 0.15 -3.73 -0.62 1.02 -1.16 -4.66 120.64 112.30 1why n GLU 134 Ca -0.10 0.10 -0.14 0.00 -0.02 0.00 0.00 57.16 57.00 1why n GLU 134 Cb 0.52 -1.50 -0.14 0.00 -0.02 0.00 0.00 31.44 30.30 1why n GLU 134 CO 0.00 0.00 0.00 -1.12 1.18 0.00 0.00 177.13 177.19 1why s SER 135 N -2.80 -0.05 0.20 1.62 0.01 -1.26 -5.04 113.70 106.37 1why s SER 135 Ca 0.16 0.35 -0.11 0.00 1.31 0.00 0.00 55.95 57.65 1why s SER 135 Cb 0.15 0.25 0.14 0.00 0.21 0.00 0.00 66.02 66.77 1why s SER 135 CO 0.38 -0.16 1.85 0.25 0.41 0.00 0.00 173.24 175.96 1why h LEU 136 N 7.36 0.68 -0.91 2.44 6.46 -1.88 -1.76 115.31 127.71 1why h LEU 136 Ca -0.39 -0.01 0.14 0.00 -0.12 0.00 0.00 57.88 57.50 1why h LEU 136 Cb 1.14 -0.16 -0.09 0.00 -0.73 0.00 0.00 40.66 40.82 1why h LEU 136 CO 0.38 0.48 0.52 -0.78 -0.62 0.00 0.00 178.44 178.43 1why h ASP 137 N 0.82 0.70 -0.26 1.25 3.58 -1.96 -0.94 116.42 119.61 1why h ASP 137 Ca 0.25 0.07 -0.10 0.00 0.42 0.00 0.00 57.03 57.67 1why h ASP 137 Cb -0.02 -0.06 -0.00 0.00 1.72 0.00 0.00 39.33 40.97 1why h ASP 137 CO -0.08 0.33 -0.22 0.00 -2.88 0.00 0.00 179.24 176.38 1why h ALA 138 N 1.55 0.38 -0.99 -0.78 0.00 -1.76 -3.03 119.26 114.62 1why h ALA 138 Ca 0.48 -0.37 0.07 0.00 0.00 0.00 0.00 54.91 55.09 1why h ALA 138 Cb 0.59 -0.08 -0.07 0.00 0.00 0.00 0.00 17.79 18.23 1why h ALA 138 CO -0.32 0.33 0.64 0.00 0.00 0.00 0.00 179.25 179.90 1why h ALA 139 N 0.69 1.44 0.21 0.00 0.00 -0.45 -2.54 119.26 118.62 1why h ALA 139 Ca 0.05 -0.02 -0.01 0.00 0.00 0.00 0.00 54.91 54.93 1why h ALA 139 Cb 0.77 -0.29 0.00 0.00 0.00 0.00 0.00 17.79 18.28 1why h ALA 139 CO 0.06 0.40 -0.10 1.96 0.00 0.00 0.00 179.25 181.56 1why h GLN 140 N 1.13 -0.27 -0.30 0.00 4.20 -1.16 -0.32 115.11 118.39 1why h GLN 140 Ca 0.43 0.02 0.04 0.00 0.06 0.00 0.00 58.65 59.20 1why h GLN 140 Cb 0.22 0.06 -0.07 0.00 0.30 0.00 0.00 27.48 27.99 1why h GLN 140 CO -0.18 -0.15 -0.52 0.00 -0.67 0.00 0.00 178.83 177.31 1why h ALA 141 N 0.48 -0.79 -0.50 3.87 0.00 -1.34 -1.49 119.26 119.49 1why h ALA 141 Ca -0.03 -0.02 0.04 0.00 0.00 0.00 0.00 54.91 54.90 1why h ALA 141 Cb 0.24 1.07 -0.04 0.00 0.00 0.00 0.00 17.79 19.05 1why h ALA 141 CO 0.05 -1.02 0.26 0.00 0.00 0.00 0.00 179.25 178.54 1why h ALA 142 N -0.21 0.64 -0.93 0.00 0.00 -1.49 -1.14 119.26 116.13 1why h ALA 142 Ca 0.06 0.02 0.25 0.00 0.00 0.00 0.00 54.91 55.23 1why h ALA 142 Cb 0.58 -0.08 -0.17 0.00 0.00 0.00 0.00 17.79 18.12 1why h ALA 142 CO -0.51 -0.09 0.04 0.00 0.00 0.00 0.00 179.25 178.70 1why h ALA 144 N 1.91 -0.04 -0.73 0.00 0.00 -0.92 -2.91 119.26 116.56 1why h ALA 144 Ca 0.56 -0.01 0.08 0.00 0.00 0.00 0.00 54.91 55.54 1why h ALA 144 Cb 1.12 0.01 -0.11 0.00 0.00 0.00 0.00 17.79 18.81 1why h ALA 144 CO -0.84 -0.04 -0.55 0.87 0.00 0.00 0.00 179.25 178.69 1why h LYS 145 N -0.68 -0.17 -0.87 0.00 6.56 -0.86 0.25 116.57 120.80 1why h LYS 145 Ca -0.00 0.01 0.11 0.00 -1.06 0.00 0.00 60.65 59.71 1why h LYS 145 Cb 0.02 0.04 -0.08 0.00 -0.57 0.00 0.00 32.23 31.64 1why h LYS 145 CO 0.00 -0.11 0.50 0.52 -2.06 0.00 0.00 179.45 178.31 1why h MET 146 N -0.17 0.78 -5.74 3.15 2.86 -0.08 -3.43 114.93 112.29 1why h MET 146 Ca 0.14 -0.05 -0.80 0.00 -2.06 0.00 0.00 59.70 56.94 1why h MET 146 Cb 0.51 -0.18 -0.01 0.00 0.06 0.00 0.00 31.60 31.98 1why h MET 146 CO -0.79 0.52 0.92 -2.13 1.06 0.00 0.00 176.91 176.49 1why n ARG 147 N -4.74 0.00 -2.65 1.72 0.63 0.87 -1.30 116.66 111.20 1why n ARG 147 Ca 0.16 0.00 -0.10 0.00 -0.92 0.00 0.00 57.85 56.99 1why n ARG 147 Cb 0.33 -1.44 0.05 0.00 0.45 0.00 0.00 32.46 31.85 1why n ARG 147 CO 0.00 0.00 0.00 0.41 -2.51 0.00 0.00 177.63 175.53 1why n GLY 148 N 5.26 -0.45 3.78 5.14 0.00 -0.52 -5.00 105.19 113.41 1why n GLY 148 Ca 0.40 0.29 -0.39 0.00 0.00 0.00 0.00 46.02 46.31 1why n GLY 148 CO 0.00 0.00 0.00 -0.12 0.00 0.00 0.00 173.32 173.20 1why s PHE 149 N -3.26 3.87 -2.00 1.61 5.36 -0.42 -4.80 117.98 118.35 1why s PHE 149 Ca 0.30 1.64 0.07 0.00 -0.96 0.00 0.00 56.93 57.98 1why s PHE 149 Cb -0.04 -2.78 0.42 0.00 -0.34 0.00 0.00 43.02 40.29 1why s PHE 149 CO 0.48 0.47 0.88 -0.35 -1.46 0.00 0.00 175.22 175.25 1why n PRO 150 N 1.42 0.49 -0.93 10.12 -0.04 -1.26 -2.95 135.00 141.85 1why n PRO 150 Ca -0.05 0.00 -0.30 0.00 -0.04 0.00 0.00 63.50 63.11 1why n PRO 150 Cb 0.49 -1.23 -0.00 0.00 -0.04 0.00 0.00 33.50 32.72 1why n PRO 150 CO 0.00 0.00 0.00 -0.11 -0.04 0.00 0.00 175.50 175.35 1why n LEU 151 N -0.73 -1.89 0.00 1.53 7.94 -1.26 -4.03 117.00 118.56 1why n LEU 151 Ca 0.05 0.60 0.00 0.00 -1.11 0.00 0.00 56.01 55.56 1why n LEU 151 Cb 0.02 -0.63 0.00 0.00 0.53 0.00 0.00 43.42 43.34 1why n LEU 151 CO 0.04 -2.87 0.00 0.61 -1.11 0.00 0.00 177.39 174.06 1why n GLY 152 N 1.63 2.85 3.55 -3.96 0.00 -1.26 -4.51 105.19 103.48 1why n GLY 152 Ca 0.09 0.23 -0.23 0.00 0.00 0.00 0.00 46.02 46.11 1why n GLY 152 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1why n GLY 153 N 0.00 2.60 0.00 -0.02 0.00 -1.26 -4.99 105.19 101.52 1why n GLY 153 Ca 0.00 -2.28 0.08 0.00 0.00 0.00 0.00 46.02 43.82 1why n GLY 153 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 1why n PRO 154 N -1.79 0.37 -0.09 1.61 -0.04 -1.26 -2.86 135.00 130.93 1why n PRO 154 Ca 0.02 0.06 -0.13 0.00 -0.04 0.00 0.00 63.50 63.40 1why n PRO 154 Cb 0.58 -1.50 -0.08 0.00 -0.04 0.00 0.00 33.50 32.45 1why n PRO 154 CO 0.00 0.00 0.00 -0.25 -0.04 0.00 0.00 175.50 175.21 1why n ASP 155 N -1.12 2.47 -4.58 3.54 8.00 -1.26 -4.90 116.55 118.70 1why n ASP 155 Ca 0.10 -0.07 -0.42 0.00 0.71 0.00 0.00 54.79 55.11 1why n ASP 155 Cb 0.08 -0.31 -0.02 0.00 -0.02 0.00 0.00 41.12 40.84 1why n ASP 155 CO 0.00 0.00 0.00 -0.13 -0.39 0.00 0.00 177.20 176.68 1why s ARG 156 N -2.37 3.49 -0.02 -1.24 1.81 -1.14 -5.00 118.95 114.49 1why s ARG 156 Ca -0.25 0.37 0.07 0.00 -1.72 0.00 0.00 55.73 54.20 1why s ARG 156 Cb 0.07 -4.03 -0.02 0.00 -0.45 0.00 0.00 34.95 30.52 1why s ARG 156 CO 0.42 -1.70 -0.22 -0.98 -0.68 0.00 0.00 175.30 172.13 1why s ARG 157 N 5.03 2.19 0.30 3.54 1.70 -1.26 -4.08 118.95 126.37 1why s ARG 157 Ca 0.47 -0.88 -0.28 0.00 -0.47 0.00 0.00 55.73 54.56 1why s ARG 157 Cb -0.08 -2.14 -0.09 0.00 -0.57 0.00 0.00 34.95 32.06 1why s ARG 157 CO 0.26 0.57 1.06 -0.51 -1.08 0.00 0.00 175.30 175.61 1why s LEU 158 N -0.76 4.48 -0.38 -1.89 1.43 -1.15 -4.83 118.68 115.57 1why s LEU 158 Ca 0.11 2.17 -0.05 0.00 -1.03 0.00 0.00 54.13 55.33 1why s LEU 158 Cb -0.10 -3.74 0.08 0.00 0.03 0.00 0.00 46.19 42.46 1why s LEU 158 CO 0.00 -0.16 0.16 -0.60 0.23 0.00 0.00 176.35 175.98 1why s ARG 159 N -1.62 2.30 -0.20 1.70 6.06 -1.22 -1.44 118.95 124.52 1why s ARG 159 Ca 0.47 -1.55 -0.06 0.00 -2.50 0.00 0.00 55.73 52.09 1why s ARG 159 Cb -0.29 -3.53 -0.03 0.00 0.06 0.00 0.00 34.95 31.16 1why s ARG 159 CO 0.37 -0.91 0.02 0.08 -2.50 0.00 0.00 175.30 172.36 1why s VAL 160 N 1.26 4.10 -0.05 7.11 1.01 -1.25 -2.07 120.40 130.51 1why s VAL 160 Ca 0.03 -0.26 -0.01 0.00 0.00 0.00 0.00 61.98 61.74 1why s VAL 160 Cb -0.22 -2.86 0.03 0.00 0.00 0.00 0.00 36.38 33.33 1why s VAL 160 CO -0.01 0.42 0.01 -1.81 0.00 0.00 0.00 175.10 173.71 1why s ASP 161 N 0.98 1.04 -0.32 3.32 1.01 -0.77 -4.81 116.67 117.11 1why s ASP 161 Ca 0.02 -0.03 -0.43 0.00 0.71 0.00 0.00 52.55 52.82 1why s ASP 161 Cb -0.14 -0.30 -0.18 0.00 1.01 0.00 0.00 42.92 43.31 1why s ASP 161 CO 0.02 -0.16 1.57 0.49 0.21 0.00 0.00 175.17 177.29 1why n PHE 162 N 4.75 1.71 -3.45 4.23 3.72 -1.26 -1.52 117.46 125.64 1why n PHE 162 Ca -0.14 0.89 -0.43 0.00 -0.05 0.00 0.00 57.45 57.72 1why n PHE 162 Cb 0.50 -2.30 -0.03 0.00 -0.94 0.00 0.00 39.48 36.71 1why n PHE 162 CO 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 176.76 176.71 1why s ALA 163 N 2.64 4.23 -0.06 4.37 0.00 -0.47 -4.82 121.76 127.64 1why s ALA 163 Ca 1.00 -3.57 -0.21 0.00 0.00 0.00 0.00 51.96 49.17 1why s ALA 163 Cb -1.29 -3.27 -0.04 0.00 0.00 0.00 0.00 23.12 18.53 1why s ALA 163 CO 0.71 -2.21 0.62 -1.59 0.00 0.00 0.00 175.76 173.29 1why s LYS 164 N -0.58 4.39 0.41 0.00 -2.85 -1.26 -4.58 119.74 115.27 1why s LYS 164 Ca 0.23 0.74 0.04 0.00 -1.00 0.00 0.00 55.97 55.98 1why s LYS 164 Cb -0.11 -3.42 -0.04 0.00 -2.06 0.00 0.00 37.83 32.20 1why s LYS 164 CO -0.08 0.17 0.05 0.45 0.10 0.00 0.00 175.35 176.03 1why s SER 165 N 0.50 3.27 -0.60 0.03 0.15 -1.26 -5.11 113.70 110.68 1why s SER 165 Ca 0.33 -1.52 0.03 0.00 0.70 0.00 0.00 55.95 55.49 1why s SER 165 Cb -0.17 0.15 0.15 0.00 -1.71 0.00 0.00 66.02 64.44 1why s SER 165 CO 0.16 -0.72 0.37 -0.83 1.20 0.00 0.00 173.24 173.42 1why s GLY 166 N -3.67 2.62 0.25 9.45 0.00 -1.26 -5.09 107.32 109.62 1why s GLY 166 Ca 0.25 -3.46 -0.30 0.00 0.00 0.00 0.00 44.72 41.21 1why s GLY 166 CO 0.12 1.05 1.27 2.56 0.00 0.00 0.00 173.10 178.10 1why s PRO 167 N -0.64 4.42 -0.35 2.90 0.04 -1.26 -4.91 135.00 135.21 1why s PRO 167 Ca 0.20 2.05 -0.29 0.00 0.04 0.00 0.00 61.00 63.00 1why s PRO 167 Cb -0.19 -3.16 -0.07 0.00 0.04 0.00 0.00 34.50 31.12 1why s PRO 167 CO -0.05 -0.16 2.30 0.45 0.04 0.00 0.00 177.00 179.58 1why n SER 168 N 1.92 2.69 -4.73 6.66 2.88 -1.26 -4.89 113.62 116.88 1why n SER 168 Ca 0.03 0.01 -0.42 0.00 -1.33 0.00 0.00 58.87 57.16 1why n SER 168 Cb 0.43 -1.50 -0.03 0.00 -0.75 0.00 0.00 64.21 62.36 1why n SER 168 CO 0.00 0.00 0.00 -0.55 -1.23 0.00 0.00 175.04 173.26 1why s SER 169 N 9.44 6.50 0.00 -3.46 0.15 -1.26 -5.35 113.70 119.72 1why s SER 169 Ca 1.03 2.77 0.00 0.00 0.70 0.00 0.00 55.95 60.45 1why s SER 169 Cb -0.40 -2.61 0.00 0.00 -1.71 0.00 0.00 66.02 61.30 1why s SER 169 CO 0.35 -0.86 0.00 0.61 1.20 0.00 0.00 173.24 174.54