#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2gfu n ALA 69 N 0.00 0.79 -3.34 7.82 0.00 -1.26 -5.02 120.51 119.51 2gfu n ALA 69 Ca 0.00 -2.51 -0.26 0.00 0.00 0.00 0.00 53.44 50.68 2gfu n ALA 69 Cb 0.00 -1.03 -0.08 0.00 0.00 0.00 0.00 19.45 18.34 2gfu n ALA 69 CO 0.00 0.00 0.00 0.36 0.00 0.00 0.00 177.50 177.86 2gfu n LYS 70 N 0.29 1.41 -3.56 0.00 2.85 -1.26 -5.09 118.16 112.81 2gfu n LYS 70 Ca 0.16 -3.83 -0.39 0.00 -1.05 0.00 0.00 58.31 53.20 2gfu n LYS 70 Cb 0.68 -1.70 -0.11 0.00 -0.65 0.00 0.00 35.03 33.25 2gfu n LYS 70 CO 0.00 0.00 0.00 -0.80 -0.05 0.00 0.00 177.40 176.55 2gfu s ASN 71 N -1.58 6.04 0.00 -5.58 -0.87 -1.26 -4.93 114.94 106.76 2gfu s ASN 71 Ca 0.36 -0.11 0.00 0.00 -1.57 0.00 0.00 52.86 51.54 2gfu s ASN 71 Cb 0.14 -2.13 0.00 0.00 -0.02 0.00 0.00 41.25 39.24 2gfu s ASN 71 CO -0.08 -0.11 0.73 0.18 -2.57 0.00 0.00 177.10 175.24 2gfu n LEU 72 N 5.09 1.32 -0.50 0.60 7.99 -1.26 -4.74 117.00 125.50 2gfu n LEU 72 Ca -0.13 -1.32 0.12 0.00 -0.01 0.00 0.00 56.01 54.67 2gfu n LEU 72 Cb 0.51 0.00 0.12 0.00 -0.11 0.00 0.00 43.42 43.94 2gfu n LEU 72 CO 0.34 0.33 0.44 -0.46 -1.51 0.00 0.00 177.39 176.54 2gfu n ASN 73 N -0.26 1.90 0.00 -1.43 6.94 -1.26 -4.98 115.26 116.17 2gfu n ASN 73 Ca 0.00 -1.44 0.00 0.00 -0.02 0.00 0.00 54.58 53.12 2gfu n ASN 73 Cb 0.22 0.33 0.00 0.00 -2.36 0.00 0.00 39.78 37.96 2gfu n ASN 73 CO 0.00 0.00 0.00 0.61 -1.03 0.00 0.00 177.26 176.84 2gfu n GLY 74 N 1.38 0.30 0.00 4.83 0.00 -1.26 -2.03 105.19 108.41 2gfu n GLY 74 Ca 0.11 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.13 2gfu n GLY 74 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2gfu n GLY 75 N -1.20 0.74 3.47 -0.02 0.00 -1.26 -5.08 105.19 101.84 2gfu n GLY 75 Ca 0.00 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.59 2gfu n GLY 75 CO 0.00 0.00 0.00 -2.27 0.00 0.00 0.00 173.32 171.05 2gfu s LEU 76 N 0.00 4.37 0.28 0.99 2.96 -0.86 -4.91 118.68 121.51 2gfu s LEU 76 Ca 0.00 -0.77 0.11 0.00 -0.22 0.00 0.00 54.13 53.25 2gfu s LEU 76 Cb 0.00 -2.56 0.39 0.00 0.50 0.00 0.00 46.19 44.52 2gfu s LEU 76 CO 0.00 -1.30 1.63 -0.09 -1.32 0.00 0.00 176.35 175.28 2gfu h ARG 77 N 9.40 0.01 0.00 1.98 2.43 -1.98 -3.46 114.38 122.76 2gfu h ARG 77 Ca -0.28 -0.00 0.00 0.00 -0.81 0.00 0.00 59.98 58.89 2gfu h ARG 77 Cb 1.07 0.00 0.00 0.00 -0.42 0.00 0.00 29.97 30.63 2gfu h ARG 77 CO 1.12 0.60 0.00 -2.13 -1.51 0.00 0.00 179.97 178.05 2gfu n ARG 78 N -3.84 0.00 0.00 0.20 0.63 -1.26 -5.15 116.66 107.25 2gfu n ARG 78 Ca -0.01 0.00 0.00 0.00 -0.92 0.00 0.00 57.85 56.92 2gfu n ARG 78 Cb 0.59 0.00 0.00 0.00 0.45 0.00 0.00 32.46 33.50 2gfu n ARG 78 CO 0.00 0.00 0.00 0.43 -2.51 0.00 0.00 177.63 175.55 2gfu n SER 79 N -0.22 0.00 -0.16 6.15 7.64 -1.26 -5.08 113.62 120.69 2gfu n SER 79 Ca 0.00 0.00 0.13 0.00 1.01 0.00 0.00 58.87 60.01 2gfu n SER 79 Cb 0.00 0.00 0.69 0.00 -1.01 0.00 0.00 64.21 63.89 2gfu n SER 79 CO 0.00 0.00 0.00 1.33 -3.01 0.00 0.00 175.04 173.36 2gfu n VAL 80 N -0.24 0.03 -4.04 0.44 0.24 -1.26 -4.81 118.33 108.68 2gfu n VAL 80 Ca 0.00 -0.09 -0.11 0.00 -2.04 0.00 0.00 64.34 62.10 2gfu n VAL 80 Cb 0.00 -0.14 -0.11 0.00 -1.47 0.00 0.00 33.84 32.12 2gfu n VAL 80 CO 0.00 0.00 0.00 0.00 -2.14 0.00 0.00 176.83 174.69 2gfu s ALA 81 N -1.97 0.43 -0.03 2.33 0.00 -1.26 -5.08 121.76 116.18 2gfu s ALA 81 Ca 0.39 -0.80 0.15 0.00 0.00 0.00 0.00 51.96 51.70 2gfu s ALA 81 Cb 0.19 0.12 0.20 0.00 0.00 0.00 0.00 23.12 23.63 2gfu s ALA 81 CO 0.31 -0.13 1.50 -1.00 0.00 0.00 0.00 175.76 176.44 2gfu h PRO 82 N 4.27 0.00 0.00 0.00 0.13 -2.04 -3.48 132.00 130.88 2gfu h PRO 82 Ca -0.34 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.79 2gfu h PRO 82 Cb 1.20 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.33 2gfu h PRO 82 CO 0.46 0.53 0.00 0.00 -0.23 0.00 0.00 178.00 178.76 2gfu n ALA 83 N -2.26 0.00 -2.94 -0.56 0.00 -1.26 -4.70 120.51 108.79 2gfu n ALA 83 Ca 0.01 0.00 -0.39 0.00 0.00 0.00 0.00 53.44 53.06 2gfu n ALA 83 Cb 0.70 0.00 -0.12 0.00 0.00 0.00 0.00 19.45 20.03 2gfu n ALA 83 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 2gfu s ALA 84 N 0.00 3.21 -1.42 0.00 0.00 -1.26 -5.03 121.76 117.26 2gfu s ALA 84 Ca 0.00 -1.60 -0.13 0.00 0.00 0.00 0.00 51.96 50.24 2gfu s ALA 84 Cb 0.00 -2.43 0.07 0.00 0.00 0.00 0.00 23.12 20.76 2gfu s ALA 84 CO 0.00 -1.19 2.19 -0.35 0.00 0.00 0.00 175.76 176.41 2gfu n PRO 85 N 4.95 3.11 -2.22 0.00 -0.04 -1.26 -4.86 135.00 134.69 2gfu n PRO 85 Ca -0.13 -2.82 -0.42 0.00 -0.04 0.00 0.00 63.50 60.09 2gfu n PRO 85 Cb 0.47 -3.16 0.00 0.00 -0.04 0.00 0.00 33.50 30.77 2gfu n PRO 85 CO 0.00 0.00 0.00 0.25 -0.04 0.00 0.00 175.50 175.71 2gfu n THR 86 N 4.53 4.34 -2.65 0.52 -2.24 -1.26 -4.97 114.28 112.54 2gfu n THR 86 Ca 0.51 -4.21 -0.42 0.00 -2.27 0.00 0.00 64.05 57.65 2gfu n THR 86 Cb 0.37 -2.36 -0.03 0.00 -2.10 0.00 0.00 70.33 66.21 2gfu n THR 86 CO 0.00 0.00 0.00 -0.94 -0.57 0.00 0.00 175.07 173.56 2gfu s SER 87 N 1.06 6.58 -0.33 3.42 1.04 -1.26 -4.90 113.70 119.32 2gfu s SER 87 Ca 0.42 -1.72 -0.01 0.00 0.48 0.00 0.00 55.95 55.12 2gfu s SER 87 Cb 0.11 -2.53 0.13 0.00 0.10 0.00 0.00 66.02 63.83 2gfu s SER 87 CO -0.02 -1.36 0.22 -0.44 0.98 0.00 0.00 173.24 172.63 2gfu s SER 88 N 4.55 2.75 -0.41 7.02 0.01 -1.26 -5.10 113.70 121.26 2gfu s SER 88 Ca 0.44 -1.65 0.01 0.00 1.31 0.00 0.00 55.95 56.06 2gfu s SER 88 Cb -0.01 -0.14 0.14 0.00 0.21 0.00 0.00 66.02 66.22 2gfu s SER 88 CO -0.08 -0.35 0.23 -1.81 0.41 0.00 0.00 173.24 171.64 2gfu s ASP 89 N 1.60 3.38 -0.11 2.44 1.01 -1.26 -3.96 116.67 119.76 2gfu s ASP 89 Ca 0.14 -2.50 0.02 0.00 0.71 0.00 0.00 52.55 50.93 2gfu s ASP 89 Cb -0.19 -0.81 0.01 0.00 1.01 0.00 0.00 42.92 42.94 2gfu s ASP 89 CO -0.16 -0.28 -0.18 -0.36 0.21 0.00 0.00 175.17 174.40 2gfu s PHE 90 N 0.57 2.22 0.40 4.23 0.08 -1.26 -5.15 117.98 119.08 2gfu s PHE 90 Ca 0.18 -1.03 0.08 0.00 0.12 0.00 0.00 56.93 56.28 2gfu s PHE 90 Cb -0.23 -1.55 -0.04 0.00 -0.57 0.00 0.00 43.02 40.63 2gfu s PHE 90 CO -0.00 -0.48 0.22 -1.54 -0.10 0.00 0.00 175.22 173.32 2gfu s SER 91 N 0.78 4.64 0.24 1.36 1.04 -1.26 -5.03 113.70 115.47 2gfu s SER 91 Ca -0.10 -0.93 -0.30 0.00 0.48 0.00 0.00 55.95 55.10 2gfu s SER 91 Cb -0.16 -0.56 -0.14 0.00 0.10 0.00 0.00 66.02 65.26 2gfu s SER 91 CO 0.01 -0.52 1.15 -2.65 0.98 0.00 0.00 173.24 172.21 2gfu n PRO 92 N -1.30 1.46 0.00 4.02 -0.02 -1.26 -3.52 135.00 134.38 2gfu n PRO 92 Ca -0.00 0.52 0.00 0.00 -2.02 0.00 0.00 63.50 61.99 2gfu n PRO 92 Cb 0.63 -2.00 0.00 0.00 -0.02 0.00 0.00 33.50 32.12 2gfu n PRO 92 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 2gfu n GLY 93 N 1.65 1.03 3.97 -1.23 0.00 0.31 -4.94 105.19 105.99 2gfu n GLY 93 Ca 0.12 0.00 -0.21 0.00 0.00 0.00 0.00 46.02 45.93 2gfu n GLY 93 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 2gfu s ASP 94 N -1.77 5.29 0.01 1.61 1.01 -1.23 -4.66 116.67 116.94 2gfu s ASP 94 Ca 0.00 -0.02 0.05 0.00 0.71 0.00 0.00 52.55 53.30 2gfu s ASP 94 Cb 0.00 -0.88 -0.03 0.00 1.01 0.00 0.00 42.92 43.02 2gfu s ASP 94 CO 0.00 -1.13 -0.15 -0.76 0.21 0.00 0.00 175.17 173.35 2gfu s LEU 95 N -4.75 2.76 0.06 1.23 2.01 -1.26 -0.76 118.68 117.97 2gfu s LEU 95 Ca 0.57 -0.31 -0.04 0.00 0.01 0.00 0.00 54.13 54.36 2gfu s LEU 95 Cb -0.10 -1.60 -0.02 0.00 0.01 0.00 0.00 46.19 44.48 2gfu s LEU 95 CO 0.38 0.28 0.06 0.68 1.01 0.00 0.00 176.35 178.77 2gfu s VAL 96 N -0.90 0.18 -0.20 -1.59 -7.23 -1.06 -2.80 120.40 106.80 2gfu s VAL 96 Ca 0.15 -1.45 -0.09 0.00 -1.81 0.00 0.00 61.98 58.78 2gfu s VAL 96 Cb -0.11 -1.30 -0.05 0.00 0.56 0.00 0.00 36.38 35.49 2gfu s VAL 96 CO 0.05 -0.80 0.11 0.26 -0.31 0.00 0.00 175.10 174.40 2gfu s TRP 97 N -3.57 3.31 -0.01 2.82 0.52 0.22 -1.01 118.94 121.23 2gfu s TRP 97 Ca 0.03 0.17 0.07 0.00 0.02 0.00 0.00 56.10 56.40 2gfu s TRP 97 Cb 0.05 -2.15 -0.02 0.00 -1.15 0.00 0.00 33.47 30.19 2gfu s TRP 97 CO -0.09 0.16 -0.23 0.00 0.02 0.00 0.00 176.95 176.81 2gfu s ALA 98 N 0.56 2.32 -0.02 0.98 0.00 0.11 -0.09 121.76 125.63 2gfu s ALA 98 Ca 0.06 -1.13 0.08 0.00 0.00 0.00 0.00 51.96 50.97 2gfu s ALA 98 Cb -0.12 -0.64 -0.02 0.00 0.00 0.00 0.00 23.12 22.34 2gfu s ALA 98 CO 0.00 0.54 -0.25 0.21 0.00 0.00 0.00 175.76 176.27 2gfu s LYS 99 N -0.84 2.04 0.09 0.00 2.20 -0.85 -0.96 119.74 121.42 2gfu s LYS 99 Ca 0.11 -0.89 0.06 0.00 -0.36 0.00 0.00 55.97 54.89 2gfu s LYS 99 Cb -0.10 -1.97 -0.03 0.00 -1.51 0.00 0.00 37.83 34.22 2gfu s LYS 99 CO 0.01 0.53 -0.15 1.41 -0.36 0.00 0.00 175.35 176.79 2gfu s MET 100 N -0.58 0.93 -0.35 4.03 -2.45 -1.26 -4.79 119.30 114.83 2gfu s MET 100 Ca 0.09 -1.07 -0.29 0.00 -1.25 0.00 0.00 55.69 53.17 2gfu s MET 100 Cb -0.10 -0.95 -0.00 0.00 1.25 0.00 0.00 34.83 35.03 2gfu s MET 100 CO -0.01 0.21 1.56 -1.21 1.05 0.00 0.00 175.02 176.61 2gfu s GLU 101 N -2.03 3.55 0.00 4.11 8.01 -1.26 -2.14 118.70 128.93 2gfu s GLU 101 Ca 0.03 1.21 0.00 0.00 0.01 0.00 0.00 54.97 56.22 2gfu s GLU 101 Cb -0.09 -4.07 0.00 0.00 -4.31 0.00 0.00 34.13 25.66 2gfu s GLU 101 CO 0.03 -1.60 0.00 0.41 0.01 0.00 0.00 175.26 174.11 2gfu n GLY 102 N 5.09 2.05 3.60 -1.39 0.00 -1.26 -5.10 105.19 108.17 2gfu n GLY 102 Ca 0.19 0.00 -0.24 0.00 0.00 0.00 0.00 46.02 45.96 2gfu n GLY 102 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 2gfu s TYR 103 N -2.22 2.62 0.88 1.61 1.51 -0.91 -5.15 117.35 115.69 2gfu s TYR 103 Ca 0.00 -0.23 -0.12 0.00 -1.01 0.00 0.00 57.07 55.71 2gfu s TYR 103 Cb 0.00 -1.20 0.12 0.00 -0.11 0.00 0.00 41.96 40.77 2gfu s TYR 103 CO 0.00 0.59 1.10 -1.25 -1.11 0.00 0.00 175.55 174.89 2gfu s PRO 104 N -3.34 1.36 -0.27 -1.71 0.04 -1.26 -4.52 135.00 125.29 2gfu s PRO 104 Ca 0.29 0.62 -0.36 0.00 0.04 0.00 0.00 61.00 61.59 2gfu s PRO 104 Cb -0.07 -1.84 -0.12 0.00 0.04 0.00 0.00 34.50 32.51 2gfu s PRO 104 CO 0.18 -2.12 2.02 0.91 0.04 0.00 0.00 177.00 178.03 2gfu n TRP 105 N -3.77 1.88 -4.02 0.56 7.02 -1.26 -4.53 117.44 113.32 2gfu n TRP 105 Ca 0.07 0.26 -0.33 0.00 -1.02 0.00 0.00 57.50 56.48 2gfu n TRP 105 Cb 0.57 -2.55 -0.15 0.00 -2.42 0.00 0.00 31.31 26.76 2gfu n TRP 105 CO 0.00 0.00 0.00 -1.58 -2.02 0.00 0.00 177.69 174.09 2gfu s TRP 106 N 5.78 3.35 -0.14 -5.99 0.23 -0.14 -4.85 118.94 117.18 2gfu s TRP 106 Ca 1.03 -2.34 -0.34 0.00 -2.03 0.00 0.00 56.10 52.42 2gfu s TRP 106 Cb -0.85 -2.15 -0.12 0.00 0.03 0.00 0.00 33.47 30.38 2gfu s TRP 106 CO 0.53 -0.88 1.92 -0.35 0.96 0.00 0.00 176.95 179.14 2gfu n PRO 107 N 4.45 1.96 -4.29 4.98 -0.04 -1.26 -0.71 135.00 140.09 2gfu n PRO 107 Ca -0.11 0.70 -0.15 0.00 -0.04 0.00 0.00 63.50 63.90 2gfu n PRO 107 Cb 0.42 -2.61 -0.10 0.00 -0.04 0.00 0.00 33.50 31.17 2gfu n PRO 107 CO 0.00 0.00 0.00 -1.12 -0.04 0.00 0.00 175.50 174.34 2gfu s SER 108 N 4.62 1.53 0.08 3.54 0.01 -0.18 -1.60 113.70 121.70 2gfu s SER 108 Ca 0.96 -1.20 0.08 0.00 1.31 0.00 0.00 55.95 57.10 2gfu s SER 108 Cb -0.72 0.06 -0.04 0.00 0.21 0.00 0.00 66.02 65.53 2gfu s SER 108 CO 0.52 -0.54 -0.18 -1.48 0.41 0.00 0.00 173.24 171.97 2gfu s LEU 109 N -3.24 2.65 -0.25 2.44 0.05 -0.85 -2.56 118.68 116.92 2gfu s LEU 109 Ca 0.26 -0.49 -0.18 0.00 0.05 0.00 0.00 54.13 53.77 2gfu s LEU 109 Cb 0.06 -1.53 -0.03 0.00 -2.05 0.00 0.00 46.19 42.64 2gfu s LEU 109 CO 0.06 0.22 0.50 -0.69 -0.55 0.00 0.00 176.35 175.89 2gfu s VAL 110 N -1.03 5.09 0.03 1.48 1.01 0.06 -2.67 120.40 124.37 2gfu s VAL 110 Ca 0.16 0.87 -0.00 0.00 0.00 0.00 0.00 61.98 63.00 2gfu s VAL 110 Cb -0.11 -3.82 -0.03 0.00 0.00 0.00 0.00 36.38 32.43 2gfu s VAL 110 CO 0.08 0.11 -0.03 -0.47 0.00 0.00 0.00 175.10 174.79 2gfu s TYR 111 N 2.14 0.35 -0.41 5.22 5.04 -1.26 -0.53 117.35 127.91 2gfu s TYR 111 Ca 0.21 -0.68 -0.22 0.00 -2.44 0.00 0.00 57.07 53.94 2gfu s TYR 111 Cb -0.16 -0.26 0.02 0.00 0.35 0.00 0.00 41.96 41.92 2gfu s TYR 111 CO 0.09 -0.24 0.71 0.54 -1.34 0.00 0.00 175.55 175.32 2gfu s ASN 112 N -1.89 6.42 0.70 4.32 4.22 -1.26 -4.67 114.94 122.79 2gfu s ASN 112 Ca -0.09 -0.00 -0.11 0.00 -2.14 0.00 0.00 52.86 50.51 2gfu s ASN 112 Cb -0.05 -2.36 0.01 0.00 1.28 0.00 0.00 41.25 40.14 2gfu s ASN 112 CO -0.03 -0.77 1.07 -2.28 -2.04 0.00 0.00 177.10 173.05 2gfu s HIS 113 N 3.00 2.98 -0.84 1.54 2.46 -1.26 -4.84 115.29 118.32 2gfu s HIS 113 Ca 0.27 1.46 0.00 0.00 0.47 0.00 0.00 55.06 57.26 2gfu s HIS 113 Cb -0.13 -2.94 0.00 0.00 -0.13 0.00 0.00 32.58 29.38 2gfu s HIS 113 CO 0.19 -1.35 0.28 -0.35 -2.47 0.00 0.00 174.74 171.04 2gfu n PRO 114 N -3.09 0.00 -1.29 2.88 -0.04 -1.26 -0.53 135.00 131.67 2gfu n PRO 114 Ca 0.08 0.03 -0.25 0.00 -0.04 0.00 0.00 63.50 63.31 2gfu n PRO 114 Cb 0.53 -1.53 0.13 0.00 -0.04 0.00 0.00 33.50 32.59 2gfu n PRO 114 CO 0.00 0.00 0.00 1.19 -0.04 0.00 0.00 175.50 176.65 2gfu n PHE 115 N -0.78 2.78 -1.38 0.54 3.72 -1.26 -5.07 117.46 116.01 2gfu n PHE 115 Ca 0.00 -2.33 -0.32 0.00 -0.05 0.00 0.00 57.45 54.75 2gfu n PHE 115 Cb 0.03 -1.01 0.08 0.00 -0.94 0.00 0.00 39.48 37.65 2gfu n PHE 115 CO 0.00 0.00 0.00 0.16 -0.05 0.00 0.00 176.76 176.87 2gfu s ASP 116 N -1.98 4.54 0.00 4.37 -4.77 0.31 -4.38 116.67 114.76 2gfu s ASP 116 Ca 0.57 1.94 0.00 0.00 -3.30 0.00 0.00 52.55 51.76 2gfu s ASP 116 Cb 0.47 -2.54 0.00 0.00 -1.09 0.00 0.00 42.92 39.76 2gfu s ASP 116 CO 0.03 -2.01 0.00 0.61 0.70 0.00 0.00 175.17 174.50 2gfu n GLY 117 N -0.79 2.81 3.01 2.12 0.00 -1.26 -4.95 105.19 106.13 2gfu n GLY 117 Ca 0.10 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.82 2gfu n GLY 117 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 2gfu s THR 118 N -2.49 1.57 -0.14 2.61 -4.23 -1.26 -5.00 115.64 106.70 2gfu s THR 118 Ca 0.00 -0.68 0.01 0.00 -1.18 0.00 0.00 61.69 59.85 2gfu s THR 118 Cb 0.00 -1.50 0.00 0.00 1.34 0.00 0.00 72.50 72.34 2gfu s THR 118 CO 0.00 0.42 0.38 2.22 -0.54 0.00 0.00 174.62 177.09 2gfu n PHE 119 N 4.76 0.00 -4.12 3.99 -1.74 -1.26 -4.93 117.46 114.16 2gfu n PHE 119 Ca -0.17 0.00 -0.24 0.00 -0.56 0.00 0.00 57.45 56.49 2gfu n PHE 119 Cb 0.50 0.00 -0.07 0.00 1.52 0.00 0.00 39.48 41.43 2gfu n PHE 119 CO 0.00 0.00 0.00 0.96 -0.56 0.00 0.00 176.76 177.16 2gfu s ILE 120 N -0.46 2.74 -0.10 1.97 -4.36 -1.26 -2.11 121.20 117.62 2gfu s ILE 120 Ca 0.01 -1.73 -0.27 0.00 -0.26 0.00 0.00 60.65 58.40 2gfu s ILE 120 Cb 0.01 -2.95 0.06 0.00 1.25 0.00 0.00 42.46 40.83 2gfu s ILE 120 CO 0.03 -0.13 0.64 -0.60 0.24 0.00 0.00 174.94 175.12 2gfu s ARG 121 N -3.85 0.95 -0.10 0.37 3.52 -0.45 -4.94 118.95 114.45 2gfu s ARG 121 Ca 0.39 0.39 -0.04 0.00 -0.13 0.00 0.00 55.73 56.33 2gfu s ARG 121 Cb -0.00 0.45 0.05 0.00 -1.56 0.00 0.00 34.95 33.88 2gfu s ARG 121 CO 0.22 -0.25 0.22 -2.00 -0.81 0.00 0.00 175.30 172.68 2gfu s GLU 122 N -0.80 0.15 -0.48 5.12 2.12 -1.26 -1.84 118.70 121.71 2gfu s GLU 122 Ca -0.08 0.54 0.02 0.00 0.36 0.00 0.00 54.97 55.81 2gfu s GLU 122 Cb -0.02 -0.14 0.13 0.00 0.26 0.00 0.00 34.13 34.36 2gfu s GLU 122 CO 0.07 -0.21 0.23 0.15 -0.54 0.00 0.00 175.26 174.97 2gfu s LYS 123 N 1.60 1.96 0.00 4.30 -0.14 -1.22 -5.02 119.74 121.22 2gfu s LYS 123 Ca -0.06 -2.34 0.00 0.00 -1.36 0.00 0.00 55.97 52.21 2gfu s LYS 123 Cb -0.11 -3.39 0.00 0.00 -1.68 0.00 0.00 37.83 32.65 2gfu s LYS 123 CO -0.08 -1.07 0.00 0.41 -0.76 0.00 0.00 175.35 173.85 2gfu n GLY 124 N 3.61 0.32 2.62 -3.33 0.00 -1.26 -3.75 105.19 103.40 2gfu n GLY 124 Ca 0.05 0.07 -0.10 0.00 0.00 0.00 0.00 46.02 46.04 2gfu n GLY 124 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 173.32 174.49 2gfu n LYS 125 N 0.00 1.13 -3.64 1.61 4.81 -1.26 -5.02 118.16 115.78 2gfu n LYS 125 Ca 0.00 -3.01 -0.04 0.00 -0.87 0.00 0.00 58.31 54.40 2gfu n LYS 125 Cb 0.00 -1.09 -0.06 0.00 0.02 0.00 0.00 35.03 33.90 2gfu n LYS 125 CO 0.00 0.00 0.00 -1.12 1.17 0.00 0.00 177.40 177.45 2gfu s SER 126 N -2.71 -0.10 -0.06 3.14 0.01 -1.25 -5.17 113.70 107.56 2gfu s SER 126 Ca 0.27 0.16 0.04 0.00 1.31 0.00 0.00 55.95 57.74 2gfu s SER 126 Cb 0.44 0.16 -0.02 0.00 0.21 0.00 0.00 66.02 66.81 2gfu s SER 126 CO 0.01 -0.05 -0.20 0.54 0.41 0.00 0.00 173.24 173.95 2gfu s VAL 127 N -0.30 2.54 0.02 3.43 0.11 -1.26 -3.40 120.40 121.54 2gfu s VAL 127 Ca 0.07 -0.90 0.05 0.00 -2.93 0.00 0.00 61.98 58.28 2gfu s VAL 127 Cb -0.04 -1.97 -0.03 0.00 -1.53 0.00 0.00 36.38 32.81 2gfu s VAL 127 CO -0.12 0.57 -0.13 -0.13 -3.33 0.00 0.00 175.10 171.96 2gfu s ARG 128 N -0.29 2.31 0.12 1.54 0.52 -0.77 0.20 118.95 122.59 2gfu s ARG 128 Ca 0.01 -0.85 -0.08 0.00 -0.52 0.00 0.00 55.73 54.29 2gfu s ARG 128 Cb -0.13 -2.34 -0.01 0.00 0.52 0.00 0.00 34.95 32.99 2gfu s ARG 128 CO 0.03 0.57 0.22 0.14 0.02 0.00 0.00 175.30 176.28 2gfu s VAL 129 N -0.95 0.11 -0.12 3.52 -7.23 -1.21 -1.34 120.40 113.18 2gfu s VAL 129 Ca 0.16 -1.33 -0.12 0.00 -1.81 0.00 0.00 61.98 58.87 2gfu s VAL 129 Cb -0.11 -1.61 -0.05 0.00 0.56 0.00 0.00 36.38 35.17 2gfu s VAL 129 CO 0.06 -0.49 0.28 -1.38 -0.31 0.00 0.00 175.10 173.26 2gfu s HIS 130 N -3.92 3.55 0.26 2.82 -3.43 -0.90 -3.16 115.29 110.52 2gfu s HIS 130 Ca 0.12 0.66 0.07 0.00 -0.80 0.00 0.00 55.06 55.11 2gfu s HIS 130 Cb 0.04 -2.23 -0.05 0.00 -1.43 0.00 0.00 32.58 28.91 2gfu s HIS 130 CO -0.05 0.45 -0.08 0.54 -2.00 0.00 0.00 174.74 173.60 2gfu s VAL 131 N -0.25 1.67 -0.04 -5.38 0.11 -1.25 -4.16 120.40 111.09 2gfu s VAL 131 Ca 0.17 -2.15 0.01 0.00 -2.93 0.00 0.00 61.98 57.08 2gfu s VAL 131 Cb -0.14 -2.35 0.02 0.00 -1.53 0.00 0.00 36.38 32.38 2gfu s VAL 131 CO 0.06 -0.37 -0.03 0.00 -3.33 0.00 0.00 175.10 171.43 2gfu s GLN 132 N -3.71 0.68 -0.07 1.54 0.00 -1.09 -3.66 119.66 113.35 2gfu s GLN 132 Ca 0.28 -0.06 -0.24 0.00 -0.00 0.00 0.00 55.36 55.35 2gfu s GLN 132 Cb 0.03 -0.74 -0.03 0.00 0.00 0.00 0.00 33.01 32.26 2gfu s GLN 132 CO 0.11 -0.09 0.72 -0.06 0.00 0.00 0.00 175.29 175.96 2gfu s PHE 133 N 0.94 3.56 -1.22 9.60 0.08 0.16 -2.00 117.98 129.11 2gfu s PHE 133 Ca -0.11 1.26 -0.19 0.00 0.12 0.00 0.00 56.93 58.01 2gfu s PHE 133 Cb -0.14 -2.83 -0.02 0.00 -0.57 0.00 0.00 43.02 39.46 2gfu s PHE 133 CO -0.00 0.05 1.94 1.19 -0.10 0.00 0.00 175.22 178.30 2gfu n PHE 134 N 3.92 3.44 0.00 0.36 3.72 -0.62 -2.45 117.46 125.82 2gfu n PHE 134 Ca -0.01 -2.37 0.00 0.00 -0.05 0.00 0.00 57.45 55.03 2gfu n PHE 134 Cb 0.51 -2.45 0.00 0.00 -0.94 0.00 0.00 39.48 36.60 2gfu n PHE 134 CO 0.00 0.00 0.00 -0.25 -0.05 0.00 0.00 176.76 176.46 2gfu n ASP 135 N 9.08 0.00 -0.06 4.37 9.92 -1.26 -4.43 116.55 134.17 2gfu n ASP 135 Ca 0.49 0.00 -0.11 0.00 -0.53 0.00 0.00 54.79 54.64 2gfu n ASP 135 Cb 0.43 0.00 -0.04 0.00 -0.64 0.00 0.00 41.12 40.88 2gfu n ASP 135 CO 0.00 0.00 0.00 -0.90 0.13 0.00 0.00 177.20 176.43 2gfu n ASP 136 N 0.00 1.49 0.02 -2.24 5.75 -1.26 -4.84 116.55 115.47 2gfu n ASP 136 Ca 0.00 0.24 -0.18 0.00 -0.01 0.00 0.00 54.79 54.84 2gfu n ASP 136 Cb 0.00 -0.57 -0.13 0.00 -1.03 0.00 0.00 41.12 39.39 2gfu n ASP 136 CO 0.00 0.00 0.00 0.28 -0.11 0.00 0.00 177.20 177.37 2gfu h SER 137 N -0.64 0.45 -3.72 -1.12 0.02 -1.97 -3.48 113.55 103.10 2gfu h SER 137 Ca -0.17 -0.86 -0.45 0.00 -0.84 0.00 0.00 61.79 59.47 2gfu h SER 137 Cb 0.93 -0.14 0.15 0.00 0.14 0.00 0.00 62.40 63.47 2gfu h SER 137 CO -0.11 1.26 0.37 -2.16 -1.14 0.00 0.00 176.83 175.06 2gfu s PRO 138 N -2.82 0.85 -0.09 3.45 0.04 -1.26 -5.06 135.00 130.10 2gfu s PRO 138 Ca -0.14 -0.52 -0.14 0.00 0.04 0.00 0.00 61.00 60.24 2gfu s PRO 138 Cb 0.02 -1.93 -0.05 0.00 0.04 0.00 0.00 34.50 32.58 2gfu s PRO 138 CO 0.81 -2.23 0.35 0.99 0.04 0.00 0.00 177.00 176.96 2gfu s THR 139 N -3.76 5.21 0.09 1.26 2.01 -1.03 -4.93 115.64 114.50 2gfu s THR 139 Ca 0.72 0.68 0.09 0.00 0.31 0.00 0.00 61.69 63.50 2gfu s THR 139 Cb -0.04 -3.67 -0.04 0.00 0.01 0.00 0.00 72.50 68.76 2gfu s THR 139 CO 0.51 0.47 -0.21 -0.60 -0.69 0.00 0.00 174.62 174.11 2gfu s ARG 140 N -0.20 1.79 0.24 4.92 3.00 -1.26 -0.67 118.95 126.77 2gfu s ARG 140 Ca 0.20 -1.15 -0.22 0.00 -1.00 0.00 0.00 55.73 53.57 2gfu s ARG 140 Cb -0.15 -2.08 0.04 0.00 0.00 0.00 0.00 34.95 32.76 2gfu s ARG 140 CO 0.08 0.49 0.71 0.20 0.00 0.00 0.00 175.30 176.78 2gfu s GLY 141 N -1.85 -0.23 -0.22 8.12 0.00 -1.24 -5.04 107.32 106.87 2gfu s GLY 141 Ca 0.16 -0.08 -0.22 0.00 0.00 0.00 0.00 44.72 44.58 2gfu s GLY 141 CO 0.07 -0.02 0.68 -0.98 0.00 0.00 0.00 173.10 172.85 2gfu s TRP 142 N -3.83 3.34 0.38 1.90 0.52 -1.26 -3.93 118.94 116.06 2gfu s TRP 142 Ca 0.09 0.97 0.07 0.00 0.02 0.00 0.00 56.10 57.25 2gfu s TRP 142 Cb -0.05 -2.87 -0.01 0.00 -1.15 0.00 0.00 33.47 29.39 2gfu s TRP 142 CO 0.02 -0.26 0.44 0.14 0.02 0.00 0.00 176.95 177.31 2gfu s VAL 143 N 2.24 3.24 -0.11 4.03 -7.23 -1.19 -5.04 120.40 116.34 2gfu s VAL 143 Ca 0.30 -1.16 -0.19 0.00 -1.81 0.00 0.00 61.98 59.12 2gfu s VAL 143 Cb -0.16 -3.12 -0.04 0.00 0.56 0.00 0.00 36.38 33.62 2gfu s VAL 143 CO 0.10 -0.07 0.49 -0.44 -0.31 0.00 0.00 175.10 174.87 2gfu s SER 144 N -4.18 6.71 0.28 4.85 0.01 -1.26 -3.35 113.70 116.75 2gfu s SER 144 Ca 0.48 0.84 0.26 0.00 1.31 0.00 0.00 55.95 58.84 2gfu s SER 144 Cb -0.07 -2.30 0.90 0.00 0.21 0.00 0.00 66.02 64.77 2gfu s SER 144 CO 0.30 -0.00 1.76 0.50 0.41 0.00 0.00 173.24 176.20 2gfu h LYS 145 N 6.70 0.00 0.00 12.44 3.64 -0.55 -2.60 116.57 136.20 2gfu h LYS 145 Ca -0.41 0.00 0.00 0.00 -1.27 0.00 0.00 60.65 58.97 2gfu h LYS 145 Cb 1.18 0.00 0.00 0.00 -0.41 0.00 0.00 32.23 33.00 2gfu h LYS 145 CO 0.75 0.00 0.00 2.89 -2.27 0.00 0.00 179.45 180.82 2gfu n ARG 146 N -2.39 0.44 -0.26 1.90 1.85 -1.25 -2.05 116.66 114.90 2gfu n ARG 146 Ca 0.03 0.05 0.08 0.00 -1.00 0.00 0.00 57.85 57.02 2gfu n ARG 146 Cb 0.34 -1.50 0.22 0.00 -1.05 0.00 0.00 32.46 30.46 2gfu n ARG 146 CO 0.00 0.00 0.00 1.28 -0.01 0.00 0.00 177.63 178.90 2gfu n LEU 147 N -1.15 3.34 -4.65 2.89 4.77 -0.98 -4.92 117.00 116.30 2gfu n LEU 147 Ca 0.12 -2.03 -0.37 0.00 -0.03 0.00 0.00 56.01 53.70 2gfu n LEU 147 Cb 0.11 -0.33 -0.09 0.00 -2.33 0.00 0.00 43.42 40.78 2gfu n LEU 147 CO 0.13 0.82 -0.12 -0.76 -1.33 0.00 0.00 177.39 176.13 2gfu s LEU 148 N -1.06 4.11 0.14 2.23 1.43 -0.87 -2.00 118.68 122.66 2gfu s LEU 148 Ca 0.33 0.16 0.09 0.00 -1.03 0.00 0.00 54.13 53.68 2gfu s LEU 148 Cb 0.17 -2.18 -0.04 0.00 0.03 0.00 0.00 46.19 44.17 2gfu s LEU 148 CO 0.22 0.02 -0.17 -0.54 0.23 0.00 0.00 176.35 176.11 2gfu s LYS 149 N 1.22 1.81 -0.15 1.70 1.02 0.88 -4.75 119.74 121.47 2gfu s LYS 149 Ca 0.09 -1.23 -0.28 0.00 0.02 0.00 0.00 55.97 54.57 2gfu s LYS 149 Cb -0.14 -2.10 -0.01 0.00 -0.52 0.00 0.00 37.83 35.06 2gfu s LYS 149 CO 0.06 0.46 0.97 -1.25 -0.92 0.00 0.00 175.35 174.67 2gfu s PRO 150 N -2.33 4.35 -0.47 -1.68 0.04 -1.26 -0.61 135.00 133.05 2gfu s PRO 150 Ca 0.20 1.29 -0.21 0.00 0.04 0.00 0.00 61.00 62.31 2gfu s PRO 150 Cb -0.10 -3.57 0.03 0.00 0.04 0.00 0.00 34.50 30.90 2gfu s PRO 150 CO 0.11 -0.39 0.69 -0.47 0.04 0.00 0.00 177.00 176.98 2gfu s TYR 151 N 2.32 3.02 0.00 0.56 6.14 -1.12 -4.81 117.35 123.46 2gfu s TYR 151 Ca 0.45 -0.14 0.09 0.00 0.64 0.00 0.00 57.07 58.11 2gfu s TYR 151 Cb -0.17 -3.51 0.14 0.00 0.42 0.00 0.00 41.96 38.84 2gfu s TYR 151 CO 0.14 -0.98 0.97 -2.37 0.64 0.00 0.00 175.55 173.96 2gfu n THR 152 N 5.87 0.00 -2.74 4.34 5.66 -1.26 -4.78 114.28 121.37 2gfu n THR 152 Ca -0.02 -0.33 -0.03 0.00 -3.05 0.00 0.00 64.05 60.62 2gfu n THR 152 Cb 0.47 0.58 0.02 0.00 -1.55 0.00 0.00 70.33 69.86 2gfu n THR 152 CO 0.00 0.00 0.00 -0.83 -3.05 0.00 0.00 175.07 171.19 2gfu s GLY 153 N -1.17 -1.55 0.11 1.09 0.00 -1.26 -4.96 107.32 99.57 2gfu s GLY 153 Ca 0.11 0.09 0.17 0.00 0.00 0.00 0.00 44.72 45.09 2gfu s GLY 153 CO -0.06 3.96 1.51 -1.26 0.00 0.00 0.00 173.10 177.26 2gfu n SER 154 N 2.87 0.26 -1.43 1.64 2.88 -1.26 -2.46 113.62 116.12 2gfu n SER 154 Ca 0.15 0.57 -0.07 0.00 -1.33 0.00 0.00 58.87 58.18 2gfu n SER 154 Cb 0.60 -0.63 0.10 0.00 -0.75 0.00 0.00 64.21 63.54 2gfu n SER 154 CO 0.00 0.00 0.00 2.29 -1.23 0.00 0.00 175.04 176.10 2gfu n LYS 155 N -1.80 2.37 -4.19 -1.46 2.85 -1.26 -4.62 118.16 110.04 2gfu n LYS 155 Ca 0.02 -3.60 -0.34 0.00 -1.05 0.00 0.00 58.31 53.34 2gfu n LYS 155 Cb 0.16 -1.79 -0.08 0.00 -0.65 0.00 0.00 35.03 32.67 2gfu n LYS 155 CO 0.00 0.00 0.00 0.45 -0.05 0.00 0.00 177.40 177.80 2gfu s SER 156 N -3.35 5.57 0.37 -5.58 0.15 -1.03 -5.01 113.70 104.82 2gfu s SER 156 Ca 0.43 0.18 0.11 0.00 0.70 0.00 0.00 55.95 57.37 2gfu s SER 156 Cb 0.39 -1.61 0.90 0.00 -1.71 0.00 0.00 66.02 63.98 2gfu s SER 156 CO -0.03 0.34 1.85 0.50 1.20 0.00 0.00 173.24 177.09 2gfu h LYS 157 N 4.66 0.59 0.00 5.44 3.64 -1.94 0.42 116.57 129.38 2gfu h LYS 157 Ca -0.51 -0.04 0.00 0.00 -1.27 0.00 0.00 60.65 58.84 2gfu h LYS 157 Cb 1.19 -0.13 0.00 0.00 -0.41 0.00 0.00 32.23 32.88 2gfu h LYS 157 CO 0.58 0.39 0.00 1.05 -2.27 0.00 0.00 179.45 179.20 2gfu h GLU 158 N 0.60 0.00 -0.35 1.90 -0.00 -1.92 -3.18 114.58 111.63 2gfu h GLU 158 Ca 0.48 0.00 0.00 0.00 -0.00 0.00 0.00 59.36 59.84 2gfu h GLU 158 Cb 0.92 0.00 0.00 0.00 -0.00 0.00 0.00 28.75 29.67 2gfu h GLU 158 CO -0.23 0.00 0.00 0.00 -0.00 0.00 0.00 179.01 178.78 2gfu n ALA 159 N -2.00 2.44 -4.04 1.06 0.00 0.15 -2.55 120.51 115.57 2gfu n ALA 159 Ca 0.02 -0.90 -0.14 0.00 0.00 0.00 0.00 53.44 52.41 2gfu n ALA 159 Cb 0.32 -0.92 -0.04 0.00 0.00 0.00 0.00 19.45 18.82 2gfu n ALA 159 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 2gfu n GLN 160 N 1.26 0.82 -1.84 0.00 -0.00 -1.05 -4.77 117.38 111.80 2gfu n GLN 160 Ca 0.19 -1.81 -0.42 0.00 -0.00 0.00 0.00 57.00 54.96 2gfu n GLN 160 Cb 0.55 0.92 -0.03 0.00 -0.00 0.00 0.00 30.24 31.69 2gfu n GLN 160 CO 0.00 0.00 0.00 0.21 0.00 0.00 0.00 177.06 177.27 2gfu s LYS 161 N -2.82 4.17 0.00 2.61 2.20 -1.26 -0.35 119.74 124.28 2gfu s LYS 161 Ca 0.10 2.42 0.00 0.00 -0.36 0.00 0.00 55.97 58.13 2gfu s LYS 161 Cb 0.00 -3.89 0.00 0.00 -1.51 0.00 0.00 37.83 32.43 2gfu s LYS 161 CO 0.07 -0.85 0.00 0.41 -0.36 0.00 0.00 175.35 174.61 2gfu n GLY 162 N 4.25 0.10 3.87 5.54 0.00 -1.26 -5.08 105.19 112.60 2gfu n GLY 162 Ca 0.18 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.89 2gfu n GLY 162 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 2gfu s GLY 163 N -2.00 1.66 0.10 -0.02 0.00 0.52 -4.95 107.32 102.64 2gfu s GLY 163 Ca 0.00 -0.10 -0.15 0.00 0.00 0.00 0.00 44.72 44.47 2gfu s GLY 163 CO 0.00 0.17 1.43 0.84 0.00 0.00 0.00 173.10 175.54 2gfu h HIS 164 N -0.35 0.83 -0.38 1.90 2.76 -1.73 -3.31 115.15 114.87 2gfu h HIS 164 Ca -0.44 -0.24 0.00 0.00 -2.20 0.00 0.00 60.37 57.49 2gfu h HIS 164 Cb 1.19 -0.18 0.00 0.00 1.55 0.00 0.00 27.41 29.98 2gfu h HIS 164 CO 0.65 0.98 0.00 1.97 -1.30 0.00 0.00 177.93 180.23 2gfu n PHE 165 N -4.28 0.49 -2.77 5.26 1.16 -1.06 -4.88 117.46 111.38 2gfu n PHE 165 Ca -0.04 -0.25 -0.43 0.00 -1.87 0.00 0.00 57.45 54.87 2gfu n PHE 165 Cb 0.46 0.00 -0.03 0.00 -1.61 0.00 0.00 39.48 38.30 2gfu n PHE 165 CO 0.00 0.00 0.00 -0.47 -1.87 0.00 0.00 176.76 174.42 2gfu s TYR 166 N -1.51 2.78 -0.30 2.97 5.04 -1.24 -4.77 117.35 120.31 2gfu s TYR 166 Ca 0.39 -0.94 -0.03 0.00 -2.44 0.00 0.00 57.07 54.05 2gfu s TYR 166 Cb 0.23 -4.44 0.05 0.00 0.35 0.00 0.00 41.96 38.15 2gfu s TYR 166 CO 0.32 -1.71 0.01 -1.12 -1.34 0.00 0.00 175.55 171.71 2gfu s SER 167 N 4.04 4.94 -0.61 4.32 0.01 -1.26 -4.86 113.70 120.27 2gfu s SER 167 Ca 0.35 -1.23 -0.22 0.00 1.31 0.00 0.00 55.95 56.16 2gfu s SER 167 Cb -0.06 -1.74 0.07 0.00 0.21 0.00 0.00 66.02 64.50 2gfu s SER 167 CO -0.03 -0.26 0.87 0.00 0.41 0.00 0.00 173.24 174.22 2gfu s ALA 168 N 1.28 3.22 0.13 1.44 0.00 -1.26 -4.74 121.76 121.83 2gfu s ALA 168 Ca -0.04 -1.82 0.11 0.00 0.00 0.00 0.00 51.96 50.20 2gfu s ALA 168 Cb -0.20 -3.71 -0.04 0.00 0.00 0.00 0.00 23.12 19.17 2gfu s ALA 168 CO -0.01 -2.54 -0.26 0.21 0.00 0.00 0.00 175.76 173.17 2gfu s LYS 169 N 3.59 1.39 0.45 0.00 2.20 -1.26 -5.07 119.74 121.03 2gfu s LYS 169 Ca 0.20 -1.35 0.11 0.00 -0.36 0.00 0.00 55.97 54.56 2gfu s LYS 169 Cb -0.18 -1.85 1.00 0.00 -1.51 0.00 0.00 37.83 35.30 2gfu s LYS 169 CO 0.11 0.43 2.08 -1.00 -0.36 0.00 0.00 175.35 176.61 2gfu h PRO 170 N 3.82 0.31 -0.28 4.03 0.13 -2.00 -2.48 132.00 135.53 2gfu h PRO 170 Ca -0.50 -0.02 -0.10 0.00 -0.87 0.00 0.00 66.00 64.51 2gfu h PRO 170 Cb 1.18 -0.07 -0.01 0.00 0.13 0.00 0.00 31.00 32.22 2gfu h PRO 170 CO 0.40 0.23 -0.24 0.93 -0.23 0.00 0.00 178.00 179.09 2gfu h GLU 171 N 0.32 0.54 -0.15 0.86 5.08 -1.90 -0.96 114.58 118.37 2gfu h GLU 171 Ca 0.08 -0.20 -0.17 0.00 -1.00 0.00 0.00 59.36 58.07 2gfu h GLU 171 Cb 0.00 -0.03 -0.00 0.00 0.50 0.00 0.00 28.75 29.21 2gfu h GLU 171 CO -0.02 0.74 -0.63 0.82 -1.00 0.00 0.00 179.01 178.92 2gfu h ILE 172 N 0.48 1.34 0.31 3.13 1.08 -1.70 -1.96 117.51 120.18 2gfu h ILE 172 Ca 0.07 -1.93 -0.02 0.00 -0.39 0.00 0.00 64.86 62.60 2gfu h ILE 172 Cb 0.67 1.90 0.00 0.00 -3.07 0.00 0.00 36.82 36.32 2gfu h ILE 172 CO 0.05 0.59 -0.15 -0.07 -0.69 0.00 0.00 178.15 177.88 2gfu h LEU 173 N 0.39 -0.36 -1.62 1.44 3.38 -1.34 -2.57 115.31 114.64 2gfu h LEU 173 Ca -0.01 -0.11 0.07 0.00 0.09 0.00 0.00 57.88 57.92 2gfu h LEU 173 Cb 1.19 0.09 -0.03 0.00 0.09 0.00 0.00 40.66 42.00 2gfu h LEU 173 CO 0.12 -0.09 0.37 -0.09 0.09 0.00 0.00 178.44 178.83 2gfu h ARG 174 N -0.62 0.45 -0.24 1.13 2.43 -1.19 0.13 114.38 116.47 2gfu h ARG 174 Ca -0.04 -0.03 -0.08 0.00 -0.81 0.00 0.00 59.98 59.02 2gfu h ARG 174 Cb 0.45 -0.10 -0.01 0.00 -0.42 0.00 0.00 29.97 29.89 2gfu h ARG 174 CO 0.07 0.30 -0.15 0.00 -1.51 0.00 0.00 179.97 178.67 2gfu h ALA 175 N 1.71 0.34 -0.37 2.80 0.00 -1.40 0.13 119.26 122.47 2gfu h ALA 175 Ca 0.24 -0.33 -0.08 0.00 0.00 0.00 0.00 54.91 54.75 2gfu h ALA 175 Cb 0.37 -0.08 -0.02 0.00 0.00 0.00 0.00 17.79 18.06 2gfu h ALA 175 CO -0.07 0.23 -0.09 0.52 0.00 0.00 0.00 179.25 179.85 2gfu h MET 176 N 0.23 0.64 -0.02 0.00 2.86 -0.82 0.31 114.93 118.13 2gfu h MET 176 Ca 0.05 -0.19 -0.04 0.00 -2.06 0.00 0.00 59.70 57.46 2gfu h MET 176 Cb 0.67 -0.07 0.00 0.00 0.06 0.00 0.00 31.60 32.27 2gfu h MET 176 CO 0.04 0.72 -0.15 1.96 1.06 0.00 0.00 176.91 180.54 2gfu h GLN 177 N 0.59 0.13 -0.23 1.72 4.20 -0.75 -1.26 115.11 119.49 2gfu h GLN 177 Ca 0.11 -0.12 -0.03 0.00 0.06 0.00 0.00 58.65 58.67 2gfu h GLN 177 Cb 0.50 0.03 -0.01 0.00 0.30 0.00 0.00 27.48 28.30 2gfu h GLN 177 CO 0.03 0.82 0.04 -0.09 -0.67 0.00 0.00 178.83 178.95 2gfu h ARG 178 N -0.52 0.39 -0.45 1.46 2.43 -0.83 -2.18 114.38 114.68 2gfu h ARG 178 Ca -0.01 -0.11 -0.07 0.00 -0.81 0.00 0.00 59.98 58.98 2gfu h ARG 178 Cb 0.86 -0.04 -0.02 0.00 -0.42 0.00 0.00 29.97 30.34 2gfu h ARG 178 CO 0.03 0.53 0.01 0.00 -1.51 0.00 0.00 179.97 179.03 2gfu h ALA 179 N 0.85 1.17 -0.10 2.80 0.00 -1.06 -2.80 119.26 120.12 2gfu h ALA 179 Ca 0.07 -0.25 -0.05 0.00 0.00 0.00 0.00 54.91 54.68 2gfu h ALA 179 Cb 0.33 -0.19 -0.01 0.00 0.00 0.00 0.00 17.79 17.92 2gfu h ALA 179 CO 0.00 0.54 -0.17 0.22 0.00 0.00 0.00 179.25 179.84 2gfu h ASP 180 N 0.69 0.15 0.56 0.00 3.58 -1.12 0.28 116.42 120.56 2gfu h ASP 180 Ca 0.14 -0.03 -0.21 0.00 0.42 0.00 0.00 57.03 57.35 2gfu h ASP 180 Cb 0.41 -0.04 -0.01 0.00 1.72 0.00 0.00 39.33 41.42 2gfu h ASP 180 CO 0.02 0.34 -0.92 1.05 -2.88 0.00 0.00 179.24 176.84 2gfu h GLU 181 N 0.15 0.23 0.01 0.28 4.11 -1.18 -2.93 114.58 115.25 2gfu h GLU 181 Ca 0.03 -0.27 -0.24 0.00 0.07 0.00 0.00 59.36 58.95 2gfu h GLU 181 Cb 0.40 0.08 0.01 0.00 0.50 0.00 0.00 28.75 29.74 2gfu h GLU 181 CO 0.03 1.00 -1.00 0.00 0.07 0.00 0.00 179.01 179.11 2gfu h ALA 182 N 0.90 0.28 0.16 1.06 0.00 -1.22 -3.10 119.26 117.35 2gfu h ALA 182 Ca -0.06 -0.72 -0.29 0.00 0.00 0.00 0.00 54.91 53.84 2gfu h ALA 182 Cb 1.56 0.01 0.01 0.00 0.00 0.00 0.00 17.79 19.37 2gfu h ALA 182 CO 0.14 0.79 -1.31 1.37 0.00 0.00 0.00 179.25 180.25 2gfu h LEU 183 N 0.26 0.56 0.00 0.00 8.10 -0.58 -3.29 115.31 120.36 2gfu h LEU 183 Ca -0.10 -0.59 0.00 0.00 0.11 0.00 0.00 57.88 57.30 2gfu h LEU 183 Cb 1.64 -0.18 0.00 0.00 -0.44 0.00 0.00 40.66 41.68 2gfu h LEU 183 CO 0.18 1.46 -0.53 -1.13 -4.11 0.00 0.00 178.44 174.31 2gfu h ASN 184 N 0.10 0.00 0.00 0.17 -1.24 -1.70 -3.45 115.58 109.45 2gfu h ASN 184 Ca -0.17 -0.07 0.00 0.00 0.71 0.00 0.00 56.30 56.78 2gfu h ASN 184 Cb 2.02 0.00 0.00 0.00 0.73 0.00 0.00 38.32 41.07 2gfu h ASN 184 CO 0.22 0.03 0.00 0.29 -1.29 0.00 0.00 177.43 176.69 2gfu n LYS 185 N -2.55 0.00 -4.34 6.67 5.02 -1.17 -5.06 118.16 116.72 2gfu n LYS 185 Ca 0.03 0.00 -0.21 0.00 -2.02 0.00 0.00 58.31 56.11 2gfu n LYS 185 Cb 0.50 0.00 -0.13 0.00 -0.02 0.00 0.00 35.03 35.38 2gfu n LYS 185 CO 0.00 0.00 0.00 -0.51 -0.52 0.00 0.00 177.40 176.37 2gfu s ASP 186 N 0.75 1.84 0.40 4.39 1.01 -1.24 -5.03 116.67 118.79 2gfu s ASP 186 Ca 0.00 -0.52 0.17 0.00 0.71 0.00 0.00 52.55 52.91 2gfu s ASP 186 Cb 0.00 -0.11 1.06 0.00 1.01 0.00 0.00 42.92 44.88 2gfu s ASP 186 CO 0.00 0.03 1.80 0.50 0.21 0.00 0.00 175.17 177.71 2gfu h LYS 187 N 4.71 0.42 -0.95 8.23 3.64 -1.83 -0.82 116.57 129.98 2gfu h LYS 187 Ca -0.40 -0.03 0.19 0.00 -1.27 0.00 0.00 60.65 59.15 2gfu h LYS 187 Cb 1.18 -0.10 -0.08 0.00 -0.41 0.00 0.00 32.23 32.82 2gfu h LYS 187 CO 0.43 0.28 0.61 0.97 -2.27 0.00 0.00 179.45 179.46 2gfu h ILE 188 N 0.44 0.71 -0.10 2.00 2.10 -1.89 -2.12 117.51 118.66 2gfu h ILE 188 Ca 0.55 -0.20 -0.05 0.00 1.08 0.00 0.00 64.86 66.24 2gfu h ILE 188 Cb 1.33 0.07 -0.01 0.00 -1.09 0.00 0.00 36.82 37.12 2gfu h ILE 188 CO -0.26 0.11 -0.15 0.11 -1.08 0.00 0.00 178.15 176.88 2gfu h LYS 189 N 0.59 0.15 -0.03 2.19 6.56 -1.46 -2.14 116.57 122.43 2gfu h LYS 189 Ca 0.51 -0.03 -0.20 0.00 -1.06 0.00 0.00 60.65 59.87 2gfu h LYS 189 Cb 1.01 -0.02 0.01 0.00 -0.57 0.00 0.00 32.23 32.66 2gfu h LYS 189 CO -0.26 0.31 -0.76 0.07 -2.06 0.00 0.00 179.45 176.75 2gfu h ARG 190 N 0.14 0.57 -0.07 3.15 -0.00 -1.64 -3.38 114.38 113.16 2gfu h ARG 190 Ca 0.03 -0.57 0.02 0.00 -0.00 0.00 0.00 59.98 59.45 2gfu h ARG 190 Cb 0.36 0.15 -0.00 0.00 -0.00 0.00 0.00 29.97 30.48 2gfu h ARG 190 CO 0.02 1.19 0.15 1.25 -0.00 0.00 0.00 179.97 182.58 2gfu h LEU 191 N 0.18 0.00 -0.29 0.08 5.85 -0.78 0.11 115.31 120.47 2gfu h LEU 191 Ca -0.09 0.00 0.00 0.00 0.84 0.00 0.00 57.88 58.63 2gfu h LEU 191 Cb 1.44 0.00 0.00 0.00 0.37 0.00 0.00 40.66 42.47 2gfu h LEU 191 CO 0.15 0.00 0.00 -0.62 -0.34 0.00 0.00 178.44 177.63 2gfu n GLU 192 N -3.38 0.15 -0.76 1.25 1.02 -0.90 -3.14 120.64 114.88 2gfu n GLU 192 Ca -0.01 0.28 0.02 0.00 -0.02 0.00 0.00 57.16 57.42 2gfu n GLU 192 Cb 0.23 -1.73 0.29 0.00 -0.02 0.00 0.00 31.44 30.21 2gfu n GLU 192 CO 0.00 0.00 0.00 1.28 1.18 0.00 0.00 177.13 179.59 2gfu n LEU 193 N -2.00 4.95 -4.65 -4.62 4.77 0.40 -5.05 117.00 110.79 2gfu n LEU 193 Ca 0.04 -3.18 -0.43 0.00 -0.03 0.00 0.00 56.01 52.40 2gfu n LEU 193 Cb 0.28 -0.65 -0.03 0.00 -2.33 0.00 0.00 43.42 40.69 2gfu n LEU 193 CO 0.22 0.79 1.63 0.00 -1.33 0.00 0.00 177.39 178.71 2gfu n ALA 194 N -0.32 1.50 -0.75 -1.18 0.00 -1.19 -4.88 120.51 113.69 2gfu n ALA 194 Ca 0.31 0.15 -0.19 0.00 0.00 0.00 0.00 53.44 53.70 2gfu n ALA 194 Cb 1.13 -2.69 -0.04 0.00 0.00 0.00 0.00 19.45 17.84 2gfu n ALA 194 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 177.50 177.78 2gfu n VAL 195 N 5.87 2.44 -0.08 0.00 0.31 -1.26 -4.50 118.33 121.11 2gfu n VAL 195 Ca 0.22 -1.40 -0.14 0.00 -0.01 0.00 0.00 64.34 63.02 2gfu n VAL 195 Cb 0.39 -2.08 -0.10 0.00 -0.91 0.00 0.00 33.84 31.14 2gfu n VAL 195 CO 0.00 0.00 0.00 0.77 -1.32 0.00 0.00 176.83 176.28 2gfu h SER 196 N 5.56 0.00 -4.16 4.52 4.64 -1.91 -3.38 113.55 118.81 2gfu h SER 196 Ca 0.42 -0.67 0.00 0.00 -0.47 0.00 0.00 61.79 61.07 2gfu h SER 196 Cb 0.40 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.49 2gfu h SER 196 CO 1.15 1.04 0.00 -0.90 -0.87 0.00 0.00 176.83 177.26 2gfu n ASP 197 N -4.59 0.00 -4.71 4.97 5.68 -1.26 -4.78 116.55 111.85 2gfu n ASP 197 Ca -0.14 0.00 -0.31 0.00 -0.50 0.00 0.00 54.79 53.84 2gfu n ASP 197 Cb 0.45 0.53 -0.08 0.00 -1.14 0.00 0.00 41.12 40.88 2gfu n ASP 197 CO 0.00 0.00 0.00 -1.61 -1.33 0.00 0.00 177.20 174.26 2gfu s GLU 198 N -3.63 2.74 -0.74 0.11 2.02 -1.26 -5.07 118.70 112.87 2gfu s GLU 198 Ca 0.00 -0.70 -0.26 0.00 0.02 0.00 0.00 54.97 54.02 2gfu s GLU 198 Cb 0.00 -2.65 0.02 0.00 0.10 0.00 0.00 34.13 31.60 2gfu s GLU 198 CO 0.00 0.58 1.43 -1.25 0.02 0.00 0.00 175.26 176.04 2gfu s PRO 199 N -2.05 3.09 -0.57 0.39 0.04 -1.26 -4.92 135.00 129.73 2gfu s PRO 199 Ca 0.24 -0.15 -0.07 0.00 0.04 0.00 0.00 61.00 61.06 2gfu s PRO 199 Cb -0.12 -4.35 -0.20 0.00 0.04 0.00 0.00 34.50 29.86 2gfu s PRO 199 CO 0.16 -2.31 3.37 -1.13 0.04 0.00 0.00 177.00 177.13 2gfu n SER 200 N 10.16 6.43 -0.21 6.66 3.41 -1.26 -5.38 113.62 133.43 2gfu n SER 200 Ca 0.10 -2.50 0.03 0.00 -0.26 0.00 0.00 58.87 56.24 2gfu n SER 200 Cb 0.50 -1.46 0.02 0.00 -0.26 0.00 0.00 64.21 63.01 2gfu n SER 200 CO 0.00 0.00 0.00 -0.62 -0.16 0.00 0.00 175.04 174.26