#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 -2.05 -2.71 7.82 0.00 -1.26 -5.15 120.51 117.16 2gfu n ALA 69 Ca 0.00 -1.07 -0.40 0.00 0.00 0.00 0.00 53.44 51.97 2gfu n ALA 69 Cb 0.00 0.74 -0.05 0.00 0.00 0.00 0.00 19.45 20.15 2gfu n ALA 69 CO 0.00 0.00 0.00 0.15 0.00 0.00 0.00 177.50 177.65 2gfu s LYS 70 N -2.07 4.40 -0.26 0.00 1.02 -1.26 -5.07 119.74 116.50 2gfu s LYS 70 Ca 0.18 0.86 -0.09 0.00 0.02 0.00 0.00 55.97 56.93 2gfu s LYS 70 Cb -0.04 -3.47 -0.04 0.00 -0.52 0.00 0.00 37.83 33.76 2gfu s LYS 70 CO 0.08 -0.00 0.14 1.21 -0.92 0.00 0.00 175.35 175.85 2gfu s ASN 71 N 0.87 5.64 0.00 2.83 3.84 -1.26 -5.07 114.94 121.79 2gfu s ASN 71 Ca 0.36 -0.09 0.00 0.00 0.21 0.00 0.00 52.86 53.35 2gfu s ASN 71 Cb -0.17 -2.03 0.00 0.00 -0.55 0.00 0.00 41.25 38.49 2gfu s ASN 71 CO 0.17 -0.04 0.00 0.18 -2.79 0.00 0.00 177.10 174.62 2gfu n LEU 72 N 4.95 0.00 -1.89 3.21 4.77 -1.26 -5.07 117.00 121.71 2gfu n LEU 72 Ca -0.15 0.00 0.05 0.00 -0.03 0.00 0.00 56.01 55.88 2gfu n LEU 72 Cb 0.52 0.00 0.38 0.00 -2.33 0.00 0.00 43.42 41.99 2gfu n LEU 72 CO 0.32 0.00 0.91 0.59 -1.33 0.00 0.00 177.39 177.88 2gfu n ASN 73 N 0.00 5.54 0.00 -1.43 3.02 -1.26 -4.83 115.26 116.30 2gfu n ASN 73 Ca 0.00 -3.00 0.00 0.00 -0.03 0.00 0.00 54.58 51.55 2gfu n ASN 73 Cb 0.00 -0.70 0.00 0.00 -0.61 0.00 0.00 39.78 38.47 2gfu n ASN 73 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 2gfu n GLY 74 N 0.44 1.06 0.00 7.41 0.00 -1.26 -4.91 105.19 107.93 2gfu n GLY 74 Ca 0.30 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.32 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 -1.82 -1.32 2.65 -0.02 0.00 -1.26 -5.08 105.19 98.34 2gfu n GLY 75 Ca 0.00 -0.93 -0.09 0.00 0.00 0.00 0.00 46.02 45.00 2gfu n GLY 75 CO 0.00 0.00 0.00 -0.10 0.00 0.00 0.00 173.32 173.22 2gfu n LEU 76 N 0.00 -1.14 -0.16 0.99 7.94 -1.26 -4.87 117.00 118.50 2gfu n LEU 76 Ca 0.00 -3.70 -0.06 0.00 -1.11 0.00 0.00 56.01 51.14 2gfu n LEU 76 Cb 0.00 0.37 0.11 0.00 0.53 0.00 0.00 43.42 44.43 2gfu n LEU 76 CO 0.00 1.91 0.87 -0.09 -1.11 0.00 0.00 177.39 178.97 2gfu h ARG 77 N 2.50 0.92 0.00 1.96 2.43 -1.98 -3.13 114.38 117.08 2gfu h ARG 77 Ca -0.17 -0.26 0.00 0.00 -0.81 0.00 0.00 59.98 58.74 2gfu h ARG 77 Cb 1.20 -0.10 0.00 0.00 -0.42 0.00 0.00 29.97 30.65 2gfu h ARG 77 CO 0.13 0.90 -1.09 -2.13 -1.51 0.00 0.00 179.97 176.27 2gfu n ARG 78 N -4.20 0.32 -0.73 0.20 0.63 -1.26 -4.98 116.66 106.64 2gfu n ARG 78 Ca 0.03 -0.01 0.00 0.00 -0.92 0.00 0.00 57.85 56.95 2gfu n ARG 78 Cb 0.31 -1.60 0.00 0.00 0.45 0.00 0.00 32.46 31.62 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 -2.00 -2.18 -3.64 6.15 7.64 -1.19 -5.01 113.62 113.39 2gfu n SER 79 Ca 0.01 0.00 -0.42 0.00 1.01 0.00 0.00 58.87 59.48 2gfu n SER 79 Cb 0.45 -0.36 -0.03 0.00 -1.01 0.00 0.00 64.21 63.25 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 -2.73 2.63 -3.93 0.44 0.24 -1.26 -4.90 118.33 108.82 2gfu n VAL 80 Ca 0.00 -2.22 -0.35 0.00 -2.04 0.00 0.00 64.34 59.73 2gfu n VAL 80 Cb 0.00 -2.45 -0.14 0.00 -1.47 0.00 0.00 33.84 29.78 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 4.06 2.76 0.00 2.33 0.00 -1.26 -5.05 121.76 124.60 2gfu s ALA 81 Ca 0.53 -1.47 0.00 0.00 0.00 0.00 0.00 51.96 51.02 2gfu s ALA 81 Cb 0.14 -1.76 0.00 0.00 0.00 0.00 0.00 23.12 21.50 2gfu s ALA 81 CO 0.02 -0.84 0.00 -0.35 0.00 0.00 0.00 175.76 174.59 2gfu n PRO 82 N 4.70 0.00 0.10 0.00 -0.04 -1.26 -5.06 135.00 133.43 2gfu n PRO 82 Ca -0.16 0.30 0.00 0.00 -0.04 0.00 0.00 63.50 63.60 2gfu n PRO 82 Cb 0.47 -0.78 0.00 0.00 -0.04 0.00 0.00 33.50 33.15 2gfu n PRO 82 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 2gfu n ALA 83 N -1.66 0.00 -2.79 0.55 0.00 -1.26 -5.09 120.51 110.26 2gfu n ALA 83 Ca 0.00 0.00 -0.35 0.00 0.00 0.00 0.00 53.44 53.09 2gfu n ALA 83 Cb 0.00 0.00 -0.10 0.00 0.00 0.00 0.00 19.45 19.35 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 -1.55 3.33 0.75 0.00 0.00 -1.26 -5.12 121.76 117.92 2gfu s ALA 84 Ca 0.00 -0.77 -0.11 0.00 0.00 0.00 0.00 51.96 51.08 2gfu s ALA 84 Cb 0.00 -1.68 0.05 0.00 0.00 0.00 0.00 23.12 21.49 2gfu s ALA 84 CO 0.00 0.39 1.12 -1.25 0.00 0.00 0.00 175.76 176.03 2gfu s PRO 85 N -0.28 2.34 -0.16 0.00 0.04 -1.26 -5.08 135.00 130.60 2gfu s PRO 85 Ca 0.07 0.20 -0.01 0.00 0.04 0.00 0.00 61.00 61.29 2gfu s PRO 85 Cb -0.12 -2.01 -0.01 0.00 0.04 0.00 0.00 34.50 32.40 2gfu s PRO 85 CO 0.02 -1.33 -0.11 0.99 0.04 0.00 0.00 177.00 176.61 2gfu s THR 86 N -3.45 3.03 0.28 1.26 2.01 -1.26 -5.05 115.64 112.46 2gfu s THR 86 Ca 0.60 -0.64 -0.01 0.00 0.31 0.00 0.00 61.69 61.95 2gfu s THR 86 Cb -0.11 -2.31 0.28 0.00 0.01 0.00 0.00 72.50 70.37 2gfu s THR 86 CO 0.49 0.50 1.87 0.28 -0.69 0.00 0.00 174.62 177.07 2gfu h SER 87 N 7.28 0.98 -1.58 3.53 0.02 -2.00 -3.25 113.55 118.53 2gfu h SER 87 Ca -0.33 0.02 -0.62 0.00 -0.84 0.00 0.00 61.79 60.03 2gfu h SER 87 Cb 1.19 -0.19 -0.40 0.00 0.14 0.00 0.00 62.40 63.14 2gfu h SER 87 CO 0.58 0.60 -0.47 -1.54 -1.14 0.00 0.00 176.83 174.85 2gfu n SER 88 N -4.53 5.11 -3.61 3.07 3.41 -1.26 -4.65 113.62 111.17 2gfu n SER 88 Ca 0.16 -3.74 -0.26 0.00 -0.26 0.00 0.00 58.87 54.78 2gfu n SER 88 Cb 0.24 -0.55 -0.17 0.00 -0.26 0.00 0.00 64.21 63.48 2gfu n SER 88 CO 0.00 0.00 0.00 -1.81 -0.16 0.00 0.00 175.04 173.07 2gfu s ASP 89 N -3.19 2.33 -0.09 4.04 1.11 -1.23 -3.77 116.67 115.87 2gfu s ASP 89 Ca 0.49 -0.61 0.02 0.00 0.18 0.00 0.00 52.55 52.63 2gfu s ASP 89 Cb 0.41 -0.23 0.01 0.00 1.07 0.00 0.00 42.92 44.18 2gfu s ASP 89 CO -0.22 -0.35 -0.16 -0.36 1.18 0.00 0.00 175.17 175.26 2gfu s PHE 90 N 2.14 1.86 0.30 4.23 0.40 -1.26 -4.91 117.98 120.74 2gfu s PHE 90 Ca 0.02 -0.77 0.08 0.00 -0.60 0.00 0.00 56.93 55.66 2gfu s PHE 90 Cb -0.16 -1.32 -0.04 0.00 0.51 0.00 0.00 43.02 42.01 2gfu s PHE 90 CO -0.09 -0.37 0.13 -1.54 0.70 0.00 0.00 175.22 174.04 2gfu s SER 91 N 0.70 4.88 0.29 1.36 1.04 -1.26 -4.96 113.70 115.76 2gfu s SER 91 Ca -0.13 -0.60 -0.30 0.00 0.48 0.00 0.00 55.95 55.41 2gfu s SER 91 Cb -0.16 -0.93 -0.13 0.00 0.10 0.00 0.00 66.02 64.91 2gfu s SER 91 CO 0.03 -0.17 1.41 -2.65 0.98 0.00 0.00 173.24 172.84 2gfu n PRO 92 N -1.11 2.22 0.00 4.02 -0.02 -1.26 -3.71 135.00 135.14 2gfu n PRO 92 Ca -0.05 0.79 0.00 0.00 -2.02 0.00 0.00 63.50 62.22 2gfu n PRO 92 Cb 0.60 -2.44 0.00 0.00 -0.02 0.00 0.00 33.50 31.63 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 1.59 2.58 3.93 -1.23 0.00 0.02 -4.92 105.19 107.16 2gfu n GLY 93 Ca 0.08 0.00 -0.26 0.00 0.00 0.00 0.00 46.02 45.84 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 -1.52 4.96 -0.14 1.61 1.01 -1.24 -4.86 116.67 116.49 2gfu s ASP 94 Ca 0.00 0.51 -0.02 0.00 0.71 0.00 0.00 52.55 53.74 2gfu s ASP 94 Cb 0.00 -1.22 -0.03 0.00 1.01 0.00 0.00 42.92 42.69 2gfu s ASP 94 CO 0.00 -1.50 -0.06 -0.76 0.21 0.00 0.00 175.17 173.06 2gfu s LEU 95 N -5.20 3.13 0.14 1.23 2.01 -1.26 -0.71 118.68 118.01 2gfu s LEU 95 Ca 0.59 -0.15 0.02 0.00 0.01 0.00 0.00 54.13 54.61 2gfu s LEU 95 Cb -0.11 -1.73 -0.04 0.00 0.01 0.00 0.00 46.19 44.32 2gfu s LEU 95 CO 0.45 0.20 -0.05 0.68 1.01 0.00 0.00 176.35 178.64 2gfu s VAL 96 N 0.15 0.79 -0.10 -1.59 -7.23 -1.01 -1.18 120.40 110.24 2gfu s VAL 96 Ca -0.03 -1.98 -0.02 0.00 -1.81 0.00 0.00 61.98 58.14 2gfu s VAL 96 Cb -0.14 -1.90 -0.03 0.00 0.56 0.00 0.00 36.38 34.87 2gfu s VAL 96 CO 0.03 -0.69 0.00 0.26 -0.31 0.00 0.00 175.10 174.40 2gfu s TRP 97 N -3.57 3.15 0.11 2.82 0.52 0.31 -0.72 118.94 121.56 2gfu s TRP 97 Ca 0.18 0.13 0.06 0.00 0.02 0.00 0.00 56.10 56.49 2gfu s TRP 97 Cb 0.05 -1.82 -0.03 0.00 -1.15 0.00 0.00 33.47 30.51 2gfu s TRP 97 CO -0.00 0.40 -0.15 0.00 0.02 0.00 0.00 176.95 177.21 2gfu s ALA 98 N -0.67 1.48 0.07 0.98 0.00 0.19 0.28 121.76 124.08 2gfu s ALA 98 Ca 0.11 -1.21 0.09 0.00 0.00 0.00 0.00 51.96 50.95 2gfu s ALA 98 Cb -0.12 -0.11 -0.03 0.00 0.00 0.00 0.00 23.12 22.86 2gfu s ALA 98 CO 0.02 0.17 -0.25 0.21 0.00 0.00 0.00 175.76 175.91 2gfu s LYS 99 N -2.28 1.57 0.05 0.00 2.47 -0.81 -0.93 119.74 119.81 2gfu s LYS 99 Ca 0.06 -1.12 0.06 0.00 -1.56 0.00 0.00 55.97 53.40 2gfu s LYS 99 Cb -0.07 -1.81 -0.02 0.00 -1.46 0.00 0.00 37.83 34.47 2gfu s LYS 99 CO 0.03 0.46 -0.16 1.41 0.16 0.00 0.00 175.35 177.25 2gfu s MET 100 N -1.44 1.01 -0.90 4.03 -2.45 -1.26 -4.73 119.30 113.56 2gfu s MET 100 Ca 0.11 -0.84 -0.18 0.00 -1.25 0.00 0.00 55.69 53.53 2gfu s MET 100 Cb -0.10 -1.06 -0.24 0.00 1.25 0.00 0.00 34.83 34.68 2gfu s MET 100 CO 0.03 0.26 2.30 0.39 1.05 0.00 0.00 175.02 179.05 2gfu n GLU 101 N 1.75 0.26 0.00 4.11 1.02 -1.26 -0.89 120.64 125.63 2gfu n GLU 101 Ca -0.18 -0.33 0.00 0.00 -0.02 0.00 0.00 57.16 56.63 2gfu n GLU 101 Cb 0.54 -2.18 0.00 0.00 -0.02 0.00 0.00 31.44 29.78 2gfu n GLU 101 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 2gfu n GLY 102 N 6.09 0.68 3.98 0.62 0.00 -1.26 -5.11 105.19 110.20 2gfu n GLY 102 Ca 0.58 0.00 -0.20 0.00 0.00 0.00 0.00 46.02 46.40 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 -2.00 3.32 0.93 1.61 1.51 -0.07 -5.13 117.35 117.51 2gfu s TYR 103 Ca 0.00 -0.08 -0.12 0.00 -1.01 0.00 0.00 57.07 55.86 2gfu s TYR 103 Cb 0.00 -1.76 0.15 0.00 -0.11 0.00 0.00 41.96 40.24 2gfu s TYR 103 CO 0.00 0.24 1.10 -2.14 -1.11 0.00 0.00 175.55 173.64 2gfu s PRO 104 N -4.08 0.99 0.24 -1.71 0.02 -1.26 -4.53 135.00 124.67 2gfu s PRO 104 Ca 0.39 0.62 -0.31 0.00 0.02 0.00 0.00 61.00 61.72 2gfu s PRO 104 Cb -0.09 -1.79 -0.11 0.00 0.02 0.00 0.00 34.50 32.52 2gfu s PRO 104 CO 0.30 -2.37 1.65 -1.58 -0.33 0.00 0.00 177.00 174.67 2gfu s TRP 105 N -3.01 2.87 -0.22 6.54 0.52 -1.26 -4.47 118.94 119.91 2gfu s TRP 105 Ca 0.64 0.55 -0.02 0.00 0.02 0.00 0.00 56.10 57.29 2gfu s TRP 105 Cb -0.17 -4.08 0.07 0.00 -1.15 0.00 0.00 33.47 28.13 2gfu s TRP 105 CO 0.57 -3.91 0.03 -1.58 0.02 0.00 0.00 176.95 172.07 2gfu s TRP 106 N 0.71 1.42 -0.16 -1.98 0.23 -0.11 -4.93 118.94 114.12 2gfu s TRP 106 Ca 0.70 -1.18 -0.30 0.00 -2.03 0.00 0.00 56.10 53.29 2gfu s TRP 106 Cb -0.48 -1.24 -0.08 0.00 0.03 0.00 0.00 33.47 31.70 2gfu s TRP 106 CO 0.38 -0.68 2.12 -0.35 0.96 0.00 0.00 176.95 179.38 2gfu n PRO 107 N 4.94 2.07 -4.49 4.98 -0.04 -1.26 -0.64 135.00 140.57 2gfu n PRO 107 Ca -0.09 0.65 -0.23 0.00 -0.04 0.00 0.00 63.50 63.79 2gfu n PRO 107 Cb 0.46 -3.01 -0.10 0.00 -0.04 0.00 0.00 33.50 30.81 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 6.79 3.13 0.03 3.54 0.01 0.10 -2.14 113.70 125.17 2gfu s SER 108 Ca 0.98 -1.24 0.06 0.00 1.31 0.00 0.00 55.95 57.07 2gfu s SER 108 Cb -0.48 -0.24 -0.02 0.00 0.21 0.00 0.00 66.02 65.49 2gfu s SER 108 CO 0.41 -0.35 -0.19 -0.22 0.41 0.00 0.00 173.24 173.30 2gfu s LEU 109 N -3.53 2.15 -0.28 2.44 2.96 -0.97 -2.39 118.68 119.06 2gfu s LEU 109 Ca 0.32 -0.48 -0.19 0.00 -0.22 0.00 0.00 54.13 53.56 2gfu s LEU 109 Cb 0.05 -0.88 -0.02 0.00 0.50 0.00 0.00 46.19 45.84 2gfu s LEU 109 CO 0.14 0.14 0.58 -0.69 -1.32 0.00 0.00 176.35 175.20 2gfu s VAL 110 N -0.76 5.00 0.00 1.68 1.01 0.11 -2.15 120.40 125.30 2gfu s VAL 110 Ca 0.06 0.89 0.05 0.00 0.00 0.00 0.00 61.98 62.98 2gfu s VAL 110 Cb -0.08 -3.92 -0.03 0.00 0.00 0.00 0.00 36.38 32.35 2gfu s VAL 110 CO 0.01 -0.02 -0.12 -0.47 0.00 0.00 0.00 175.10 174.50 2gfu s TYR 111 N 2.46 2.73 -0.44 5.22 5.04 -1.22 -0.80 117.35 130.34 2gfu s TYR 111 Ca 0.23 -0.14 -0.29 0.00 -2.44 0.00 0.00 57.07 54.44 2gfu s TYR 111 Cb -0.15 -1.56 0.02 0.00 0.35 0.00 0.00 41.96 40.62 2gfu s TYR 111 CO 0.10 0.29 1.16 0.54 -1.34 0.00 0.00 175.55 176.31 2gfu s ASN 112 N -1.27 6.65 0.79 4.32 4.22 -1.26 -4.52 114.94 123.86 2gfu s ASN 112 Ca 0.15 0.63 -0.10 0.00 -2.14 0.00 0.00 52.86 51.39 2gfu s ASN 112 Cb -0.11 -2.55 0.06 0.00 1.28 0.00 0.00 41.25 39.94 2gfu s ASN 112 CO 0.05 -1.21 1.09 -2.28 -2.04 0.00 0.00 177.10 172.72 2gfu s HIS 113 N 4.43 2.51 -1.21 1.54 2.46 -1.26 -4.83 115.29 118.93 2gfu s HIS 113 Ca 0.49 1.56 0.00 0.00 0.47 0.00 0.00 55.06 57.58 2gfu s HIS 113 Cb -0.09 -3.07 0.00 0.00 -0.13 0.00 0.00 32.58 29.29 2gfu s HIS 113 CO 0.29 -1.88 0.77 -2.30 -2.47 0.00 0.00 174.74 169.15 2gfu n PRO 114 N -3.58 0.00 -0.96 2.88 -0.02 -1.26 -0.77 135.00 131.29 2gfu n PRO 114 Ca 0.09 0.29 -0.11 0.00 -2.02 0.00 0.00 63.50 61.75 2gfu n PRO 114 Cb 0.53 -1.54 0.20 0.00 -0.02 0.00 0.00 33.50 32.67 2gfu n PRO 114 CO 0.00 0.00 0.00 1.19 1.98 0.00 0.00 175.50 178.67 2gfu n PHE 115 N -1.27 1.78 -1.92 6.00 3.72 -1.26 -5.09 117.46 119.43 2gfu n PHE 115 Ca 0.00 -1.68 -0.36 0.00 -0.05 0.00 0.00 57.45 55.36 2gfu n PHE 115 Cb 0.04 -0.65 0.04 0.00 -0.94 0.00 0.00 39.48 37.97 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 -2.09 5.02 0.00 4.37 -4.77 0.05 -3.74 116.67 115.50 2gfu s ASP 116 Ca 0.49 2.49 0.00 0.00 -3.30 0.00 0.00 52.55 52.23 2gfu s ASP 116 Cb 0.43 -2.61 0.00 0.00 -1.09 0.00 0.00 42.92 39.65 2gfu s ASP 116 CO 0.04 -1.71 0.00 0.61 0.70 0.00 0.00 175.17 174.80 2gfu n GLY 117 N 0.65 3.49 3.37 2.12 0.00 -1.26 -4.96 105.19 108.60 2gfu n GLY 117 Ca 0.14 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 45.80 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 -3.00 3.87 0.00 2.61 -4.23 -1.25 -5.02 115.64 108.63 2gfu s THR 118 Ca 0.00 -0.39 0.00 0.00 -1.18 0.00 0.00 61.69 60.12 2gfu s THR 118 Cb 0.00 -2.83 0.00 0.00 1.34 0.00 0.00 72.50 71.01 2gfu s THR 118 CO 0.00 0.33 0.00 0.33 -0.54 0.00 0.00 174.62 174.74 2gfu n PHE 119 N 4.86 0.00 -4.15 3.99 7.35 -1.26 -4.90 117.46 123.35 2gfu n PHE 119 Ca -0.17 0.00 -0.26 0.00 -0.76 0.00 0.00 57.45 56.27 2gfu n PHE 119 Cb 0.51 0.00 -0.06 0.00 0.35 0.00 0.00 39.48 40.27 2gfu n PHE 119 CO 0.00 0.00 0.00 0.96 -0.76 0.00 0.00 176.76 176.96 2gfu s ILE 120 N -1.91 4.10 0.02 -2.13 -4.36 -1.26 -3.98 121.20 111.67 2gfu s ILE 120 Ca 0.00 -1.32 -0.02 0.00 -0.26 0.00 0.00 60.65 59.05 2gfu s ILE 120 Cb 0.00 -3.10 -0.02 0.00 1.25 0.00 0.00 42.46 40.59 2gfu s ILE 120 CO 0.00 -0.16 0.02 -0.13 0.24 0.00 0.00 174.94 174.91 2gfu s ARG 121 N -3.18 0.39 -0.18 0.37 0.52 -1.03 -5.04 118.95 110.80 2gfu s ARG 121 Ca 0.30 -0.62 -0.10 0.00 -0.52 0.00 0.00 55.73 54.78 2gfu s ARG 121 Cb -0.09 0.15 0.06 0.00 0.52 0.00 0.00 34.95 35.59 2gfu s ARG 121 CO 0.21 -0.08 0.45 -1.83 0.02 0.00 0.00 175.30 174.07 2gfu s GLU 122 N -1.73 0.44 -0.39 3.54 -1.05 -1.26 -2.62 118.70 115.63 2gfu s GLU 122 Ca -0.13 0.84 0.01 0.00 -0.15 0.00 0.00 54.97 55.55 2gfu s GLU 122 Cb -0.07 0.00 0.11 0.00 -0.44 0.00 0.00 34.13 33.73 2gfu s GLU 122 CO -0.01 -0.16 0.13 0.15 0.95 0.00 0.00 175.26 176.32 2gfu s LYS 123 N 1.41 1.73 1.96 -4.83 1.02 -1.26 -5.01 119.74 114.75 2gfu s LYS 123 Ca -0.09 -1.94 0.00 0.00 0.02 0.00 0.00 55.97 53.96 2gfu s LYS 123 Cb -0.08 -3.36 0.00 0.00 -0.52 0.00 0.00 37.83 33.87 2gfu s LYS 123 CO -0.13 -1.01 0.00 0.41 -0.92 0.00 0.00 175.35 173.70 2gfu n GLY 124 N 4.25 2.00 2.29 -3.33 0.00 -1.26 -4.17 105.19 104.97 2gfu n GLY 124 Ca 0.02 0.05 -0.22 0.00 0.00 0.00 0.00 46.02 45.87 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 0.65 -3.57 1.61 4.81 -1.26 -5.08 118.16 115.33 2gfu n LYS 125 Ca 0.00 -3.03 0.04 0.00 -0.87 0.00 0.00 58.31 54.45 2gfu n LYS 125 Cb 0.00 -1.30 0.00 0.00 0.02 0.00 0.00 35.03 33.75 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 -1.06 -0.00 -0.08 3.14 0.01 -1.26 -5.19 113.70 109.26 2gfu s SER 126 Ca 0.34 -0.00 -0.16 0.00 1.31 0.00 0.00 55.95 57.44 2gfu s SER 126 Cb 0.16 0.00 0.04 0.00 0.21 0.00 0.00 66.02 66.43 2gfu s SER 126 CO -0.14 -0.01 0.39 0.54 0.41 0.00 0.00 173.24 174.44 2gfu s VAL 127 N -2.01 0.03 0.02 3.43 0.11 -1.26 -4.15 120.40 116.56 2gfu s VAL 127 Ca 0.16 -0.21 -0.02 0.00 -2.93 0.00 0.00 61.98 58.97 2gfu s VAL 127 Cb 0.08 -0.64 -0.01 0.00 -1.53 0.00 0.00 36.38 34.27 2gfu s VAL 127 CO -0.07 -0.12 0.02 0.00 -3.33 0.00 0.00 175.10 171.60 2gfu s ARG 128 N -0.61 0.37 0.21 1.54 1.70 -1.08 -3.38 118.95 117.70 2gfu s ARG 128 Ca -0.07 -0.57 0.06 0.00 -0.47 0.00 0.00 55.73 54.67 2gfu s ARG 128 Cb -0.04 0.14 -0.05 0.00 -0.57 0.00 0.00 34.95 34.43 2gfu s ARG 128 CO 0.03 -0.07 -0.08 0.14 -1.08 0.00 0.00 175.30 174.24 2gfu s VAL 129 N -1.52 1.38 -0.13 4.99 -7.23 -1.23 -2.47 120.40 114.18 2gfu s VAL 129 Ca -0.15 -2.11 -0.27 0.00 -1.81 0.00 0.00 61.98 57.64 2gfu s VAL 129 Cb -0.09 -2.14 -0.01 0.00 0.56 0.00 0.00 36.38 34.69 2gfu s VAL 129 CO -0.01 -0.51 0.90 -1.38 -0.31 0.00 0.00 175.10 173.80 2gfu s HIS 130 N -3.20 3.47 0.20 2.82 -3.43 -1.26 -3.47 115.29 110.42 2gfu s HIS 130 Ca 0.24 1.41 -0.02 0.00 -0.80 0.00 0.00 55.06 55.89 2gfu s HIS 130 Cb 0.03 -3.08 -0.04 0.00 -1.43 0.00 0.00 32.58 28.06 2gfu s HIS 130 CO 0.06 -0.22 0.14 0.14 -2.00 0.00 0.00 174.74 172.87 2gfu s VAL 131 N 2.02 0.01 0.03 -5.38 -7.23 -1.24 -3.42 120.40 105.19 2gfu s VAL 131 Ca 0.43 -1.95 0.00 0.00 -1.81 0.00 0.00 61.98 58.65 2gfu s VAL 131 Cb -0.17 -2.43 -0.02 0.00 0.56 0.00 0.00 36.38 34.31 2gfu s VAL 131 CO 0.15 -0.05 -0.04 0.00 -0.31 0.00 0.00 175.10 174.85 2gfu s GLN 132 N -4.14 0.39 -0.19 4.82 1.03 -0.91 -3.87 119.66 116.79 2gfu s GLN 132 Ca 0.36 -0.70 -0.06 0.00 0.04 0.00 0.00 55.36 55.01 2gfu s GLN 132 Cb 0.07 0.02 -0.03 0.00 0.03 0.00 0.00 33.01 33.09 2gfu s GLN 132 CO 0.11 -0.03 0.03 -0.06 -2.54 0.00 0.00 175.29 172.79 2gfu s PHE 133 N -1.64 3.13 -1.10 9.60 0.08 0.07 -2.29 117.98 125.83 2gfu s PHE 133 Ca -0.13 -0.17 -0.18 0.00 0.12 0.00 0.00 56.93 56.58 2gfu s PHE 133 Cb -0.09 -2.07 -0.07 0.00 -0.57 0.00 0.00 43.02 40.23 2gfu s PHE 133 CO -0.01 -0.02 2.09 1.19 -0.10 0.00 0.00 175.22 178.37 2gfu n PHE 134 N 3.82 2.59 0.00 0.36 3.72 -0.91 -2.57 117.46 124.47 2gfu n PHE 134 Ca -0.17 -2.36 0.00 0.00 -0.05 0.00 0.00 57.45 54.87 2gfu n PHE 134 Cb 0.52 -2.10 0.00 0.00 -0.94 0.00 0.00 39.48 36.96 2gfu n PHE 134 CO 0.00 0.00 0.00 -3.47 -0.05 0.00 0.00 176.76 173.24 2gfu n ASP 135 N 6.64 0.00 -0.08 4.37 -0.08 -1.26 -4.18 116.55 121.96 2gfu n ASP 135 Ca 0.51 0.00 -0.16 0.00 -1.51 0.00 0.00 54.79 53.63 2gfu n ASP 135 Cb 0.38 0.00 -0.05 0.00 2.34 0.00 0.00 41.12 43.79 2gfu n ASP 135 CO 0.00 0.00 0.00 -0.67 0.12 0.00 0.00 177.20 176.65 2gfu n ASP 136 N 0.00 1.33 -0.01 1.67 2.03 -1.26 -4.88 116.55 115.42 2gfu n ASP 136 Ca 0.00 0.23 -0.13 0.00 0.52 0.00 0.00 54.79 55.41 2gfu n ASP 136 Cb 0.00 -0.54 -0.10 0.00 -0.72 0.00 0.00 41.12 39.76 2gfu n ASP 136 CO 0.00 0.00 0.00 -1.28 -1.92 0.00 0.00 177.20 174.00 2gfu h SER 137 N -0.64 0.00 -3.30 1.67 0.87 -1.97 -3.49 113.55 106.70 2gfu h SER 137 Ca -0.36 -0.50 -0.25 0.00 -1.23 0.00 0.00 61.79 59.45 2gfu h SER 137 Cb 1.24 -0.00 0.09 0.00 -0.44 0.00 0.00 62.40 63.30 2gfu h SER 137 CO -0.22 0.50 0.21 -0.81 -0.53 0.00 0.00 176.83 175.98 2gfu n PRO 138 N -4.85 -0.60 -3.58 2.24 -0.04 -1.26 -4.87 135.00 122.04 2gfu n PRO 138 Ca -0.08 -1.25 -0.37 0.00 -0.04 0.00 0.00 63.50 61.76 2gfu n PRO 138 Cb 0.25 -0.72 -0.06 0.00 -0.04 0.00 0.00 33.50 32.93 2gfu n PRO 138 CO 0.00 0.00 0.00 0.99 -0.04 0.00 0.00 175.50 176.45 2gfu s THR 139 N -2.52 5.12 0.08 0.52 2.01 -1.06 -4.96 115.64 114.83 2gfu s THR 139 Ca 0.43 0.65 -0.26 0.00 0.31 0.00 0.00 61.69 62.81 2gfu s THR 139 Cb -0.01 -3.65 0.07 0.00 0.01 0.00 0.00 72.50 68.92 2gfu s THR 139 CO 0.30 0.52 0.64 -0.60 -0.69 0.00 0.00 174.62 174.79 2gfu s ARG 140 N -1.26 1.18 0.00 4.92 3.52 -1.26 -0.75 118.95 125.30 2gfu s ARG 140 Ca 0.24 -0.19 0.00 0.00 -0.13 0.00 0.00 55.73 55.65 2gfu s ARG 140 Cb -0.15 0.55 0.00 0.00 -1.56 0.00 0.00 34.95 33.79 2gfu s ARG 140 CO 0.13 -0.47 0.00 0.41 -0.81 0.00 0.00 175.30 174.56 2gfu n GLY 141 N 0.11 -0.54 3.41 8.12 0.00 -1.25 -5.07 105.19 109.96 2gfu n GLY 141 Ca -0.18 -0.74 -0.39 0.00 0.00 0.00 0.00 46.02 44.72 2gfu n GLY 141 CO 0.00 0.00 0.00 -0.98 0.00 0.00 0.00 173.32 172.34 2gfu s TRP 142 N -3.02 3.20 0.73 1.61 0.52 -1.26 -3.71 118.94 117.00 2gfu s TRP 142 Ca 0.00 -0.75 -0.05 0.00 0.02 0.00 0.00 56.10 55.32 2gfu s TRP 142 Cb 0.00 -2.37 0.10 0.00 -1.15 0.00 0.00 33.47 30.05 2gfu s TRP 142 CO 0.00 -0.53 1.02 0.14 0.02 0.00 0.00 176.95 177.60 2gfu s VAL 143 N 1.58 2.24 -0.42 4.03 -7.23 -1.23 -4.97 120.40 114.41 2gfu s VAL 143 Ca 0.03 -0.39 -0.19 0.00 -1.81 0.00 0.00 61.98 59.63 2gfu s VAL 143 Cb -0.18 -2.85 0.02 0.00 0.56 0.00 0.00 36.38 33.93 2gfu s VAL 143 CO 0.06 0.00 0.53 -0.44 -0.31 0.00 0.00 175.10 174.94 2gfu s SER 144 N -4.63 6.26 0.52 4.85 0.01 -1.26 -3.50 113.70 115.95 2gfu s SER 144 Ca 0.64 -0.43 0.19 0.00 1.31 0.00 0.00 55.95 57.66 2gfu s SER 144 Cb -0.08 -2.27 1.04 0.00 0.21 0.00 0.00 66.02 64.93 2gfu s SER 144 CO 0.45 -0.64 1.54 0.07 0.41 0.00 0.00 173.24 175.07 2gfu h LYS 145 N 8.74 0.00 0.00 12.44 2.10 -1.85 -0.27 116.57 137.73 2gfu h LYS 145 Ca -0.26 0.00 0.00 0.00 -2.00 0.00 0.00 60.65 58.39 2gfu h LYS 145 Cb 1.11 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 32.44 2gfu h LYS 145 CO 0.83 0.00 0.00 -0.09 -2.00 0.00 0.00 179.45 178.19 2gfu h ARG 146 N 0.00 0.00 -0.01 0.07 2.43 -1.81 -2.88 114.38 112.18 2gfu h ARG 146 Ca 0.00 0.00 0.00 0.00 -0.81 0.00 0.00 59.98 59.17 2gfu h ARG 146 Cb 0.81 0.00 0.00 0.00 -0.42 0.00 0.00 29.97 30.36 2gfu h ARG 146 CO 0.00 0.00 -0.14 1.28 -1.51 0.00 0.00 179.97 179.60 2gfu n LEU 147 N -3.00 1.57 -4.93 3.80 4.77 -0.11 -4.93 117.00 114.16 2gfu n LEU 147 Ca 0.00 -0.51 -0.26 0.00 -0.03 0.00 0.00 56.01 55.22 2gfu n LEU 147 Cb 0.28 -0.04 -0.02 0.00 -2.33 0.00 0.00 43.42 41.30 2gfu n LEU 147 CO 0.26 0.27 0.11 -0.76 -1.33 0.00 0.00 177.39 175.94 2gfu s LEU 148 N -2.22 4.13 0.22 2.23 1.43 -1.09 -1.92 118.68 121.46 2gfu s LEU 148 Ca 0.30 0.45 0.09 0.00 -1.03 0.00 0.00 54.13 53.94 2gfu s LEU 148 Cb 0.20 -3.26 -0.05 0.00 0.03 0.00 0.00 46.19 43.11 2gfu s LEU 148 CO 0.42 -0.16 -0.17 -0.54 0.23 0.00 0.00 176.35 176.13 2gfu s LYS 149 N -3.76 1.44 0.47 1.70 3.01 0.14 -4.72 119.74 118.02 2gfu s LYS 149 Ca 0.40 -1.61 -0.19 0.00 -1.01 0.00 0.00 55.97 53.55 2gfu s LYS 149 Cb -0.10 -1.38 -0.10 0.00 -1.01 0.00 0.00 37.83 35.24 2gfu s LYS 149 CO 0.32 0.25 0.97 -1.25 0.51 0.00 0.00 175.35 176.14 2gfu s PRO 150 N -3.43 4.11 0.00 -1.68 0.04 -1.26 -0.53 135.00 132.24 2gfu s PRO 150 Ca 0.24 1.05 0.00 0.00 0.04 0.00 0.00 61.00 62.33 2gfu s PRO 150 Cb -0.03 -2.16 0.00 0.00 0.04 0.00 0.00 34.50 32.35 2gfu s PRO 150 CO 0.09 -0.14 0.00 0.98 0.04 0.00 0.00 177.00 177.98 2gfu n TYR 151 N -1.05 0.00 0.00 0.56 9.36 -0.33 -4.50 117.16 121.21 2gfu n TYR 151 Ca 0.07 0.00 0.00 0.00 3.32 0.00 0.00 57.90 61.29 2gfu n TYR 151 Cb 0.54 0.00 0.00 0.00 -0.63 0.00 0.00 39.34 39.25 2gfu n TYR 151 CO 0.00 0.00 0.00 -2.37 0.22 0.00 0.00 176.86 174.71 2gfu n THR 152 N 0.00 0.00 -3.58 2.97 5.66 -1.26 -4.81 114.28 113.26 2gfu n THR 152 Ca 0.00 0.00 -0.40 0.00 -3.05 0.00 0.00 64.05 60.60 2gfu n THR 152 Cb 0.00 0.00 -0.07 0.00 -1.55 0.00 0.00 70.33 68.71 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 0.00 2.66 0.05 1.09 0.00 -1.26 -4.91 107.32 104.95 2gfu s GLY 153 Ca 0.00 -3.39 0.13 0.00 0.00 0.00 0.00 44.72 41.46 2gfu s GLY 153 CO 0.00 1.17 1.42 1.44 0.00 0.00 0.00 173.10 177.13 2gfu n SER 154 N 3.43 0.13 -0.36 1.64 7.64 -1.26 -2.26 113.62 122.58 2gfu n SER 154 Ca 0.12 0.54 0.08 0.00 1.01 0.00 0.00 58.87 60.62 2gfu n SER 154 Cb 0.40 -0.56 0.16 0.00 -1.01 0.00 0.00 64.21 63.20 2gfu n SER 154 CO 0.00 0.00 0.00 2.29 -3.01 0.00 0.00 175.04 174.32 2gfu n LYS 155 N -1.65 1.32 -3.16 1.43 2.85 -1.26 -4.51 118.16 113.18 2gfu n LYS 155 Ca 0.02 -2.81 -0.39 0.00 -1.05 0.00 0.00 58.31 54.09 2gfu n LYS 155 Cb 0.14 -1.46 -0.06 0.00 -0.65 0.00 0.00 35.03 33.00 2gfu n LYS 155 CO 0.00 0.00 0.00 -1.54 -0.05 0.00 0.00 177.40 175.81 2gfu s SER 156 N -2.93 7.17 0.61 -5.58 1.04 -0.96 -4.94 113.70 108.11 2gfu s SER 156 Ca 0.33 1.38 0.31 0.00 0.48 0.00 0.00 55.95 58.45 2gfu s SER 156 Cb 0.31 -2.41 1.73 0.00 0.10 0.00 0.00 66.02 65.75 2gfu s SER 156 CO -0.02 0.23 2.09 0.50 0.98 0.00 0.00 173.24 177.02 2gfu h LYS 157 N 4.62 0.00 0.00 4.02 1.63 -1.94 0.42 116.57 125.32 2gfu h LYS 157 Ca -0.48 0.00 0.00 0.00 -0.85 0.00 0.00 60.65 59.32 2gfu h LYS 157 Cb 1.21 0.00 0.00 0.00 -0.60 0.00 0.00 32.23 32.84 2gfu h LYS 157 CO 0.65 0.00 -0.22 0.93 -3.45 0.00 0.00 179.45 177.36 2gfu h GLU 158 N 0.00 0.00 0.00 1.90 3.07 -1.93 -3.18 114.58 114.44 2gfu h GLU 158 Ca 0.07 0.00 0.00 0.00 -0.50 0.00 0.00 59.36 58.93 2gfu h GLU 158 Cb 0.50 0.00 0.00 0.00 -0.84 0.00 0.00 28.75 28.41 2gfu h GLU 158 CO -0.00 0.00 -1.16 0.00 -1.40 0.00 0.00 179.01 176.45 2gfu n ALA 159 N -2.11 3.70 -3.53 3.43 0.00 0.14 -1.92 120.51 120.23 2gfu n ALA 159 Ca 0.03 -0.48 -0.11 0.00 0.00 0.00 0.00 53.44 52.88 2gfu n ALA 159 Cb 0.53 -0.88 0.01 0.00 0.00 0.00 0.00 19.45 19.11 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 -1.86 1.10 -2.14 0.00 -0.00 -0.87 -4.76 117.38 108.85 2gfu n GLN 160 Ca 0.02 -1.38 -0.42 0.00 -0.00 0.00 0.00 57.00 55.21 2gfu n GLN 160 Cb 0.42 0.10 -0.03 0.00 -0.00 0.00 0.00 30.24 30.74 2gfu n GLN 160 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 177.06 175.47 2gfu s LYS 161 N -2.95 4.22 0.00 2.61 -2.85 -1.26 -0.57 119.74 118.94 2gfu s LYS 161 Ca 0.15 2.04 0.00 0.00 -1.00 0.00 0.00 55.97 57.16 2gfu s LYS 161 Cb -0.01 -3.78 0.00 0.00 -2.06 0.00 0.00 37.83 31.98 2gfu s LYS 161 CO 0.10 -0.73 0.00 0.41 0.10 0.00 0.00 175.35 175.23 2gfu n GLY 162 N 3.88 0.33 3.82 0.59 0.00 -1.26 -5.08 105.19 107.46 2gfu n GLY 162 Ca 0.15 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.85 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 -1.94 2.02 0.25 -0.02 0.00 0.27 -4.94 107.32 102.95 2gfu s GLY 163 Ca 0.00 0.27 -0.04 0.00 0.00 0.00 0.00 44.72 44.95 2gfu s GLY 163 CO 0.00 0.58 1.85 0.45 0.00 0.00 0.00 173.10 175.98 2gfu h HIS 164 N 0.32 1.00 0.00 1.90 3.86 -1.69 -3.21 115.15 117.33 2gfu h HIS 164 Ca -0.46 0.03 0.00 0.00 -1.16 0.00 0.00 60.37 58.78 2gfu h HIS 164 Cb 1.21 -0.32 0.00 0.00 1.06 0.00 0.00 27.41 29.36 2gfu h HIS 164 CO 0.61 0.49 -1.63 1.19 0.86 0.00 0.00 177.93 179.44 2gfu n PHE 165 N -4.63 0.12 -0.44 2.45 3.72 -0.81 -4.83 117.46 113.05 2gfu n PHE 165 Ca 0.13 0.03 0.37 0.00 -0.05 0.00 0.00 57.45 57.94 2gfu n PHE 165 Cb 0.20 -0.45 0.65 0.00 -0.94 0.00 0.00 39.48 38.94 2gfu n PHE 165 CO 0.00 0.00 0.00 -0.92 -0.05 0.00 0.00 176.76 175.79 2gfu h TYR 166 N 0.00 0.56 0.00 1.38 3.20 -1.67 -3.44 116.97 117.01 2gfu h TYR 166 Ca 0.00 0.03 0.00 0.00 3.14 0.00 0.00 58.73 61.90 2gfu h TYR 166 Cb 0.89 -0.13 0.00 0.00 1.54 0.00 0.00 36.73 39.02 2gfu h TYR 166 CO 0.00 -0.27 0.00 0.43 -1.64 0.00 0.00 178.16 176.68 2gfu n SER 167 N -4.78 0.00 -4.49 -2.11 7.64 -1.26 -4.79 113.62 103.82 2gfu n SER 167 Ca 0.39 0.00 -0.43 0.00 1.01 0.00 0.00 58.87 59.84 2gfu n SER 167 Cb 1.47 0.00 -0.04 0.00 -1.01 0.00 0.00 64.21 64.63 2gfu n SER 167 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 2gfu s ALA 168 N 0.00 3.06 -0.06 -0.43 0.00 -1.26 -4.77 121.76 118.30 2gfu s ALA 168 Ca 0.00 -1.58 0.06 0.00 0.00 0.00 0.00 51.96 50.44 2gfu s ALA 168 Cb 0.00 -3.90 -0.01 0.00 0.00 0.00 0.00 23.12 19.21 2gfu s ALA 168 CO 0.00 -2.76 -0.25 0.21 0.00 0.00 0.00 175.76 172.96 2gfu s LYS 169 N 4.36 2.54 0.63 0.00 2.20 -1.26 -5.07 119.74 123.14 2gfu s LYS 169 Ca 0.27 -0.90 0.31 0.00 -0.36 0.00 0.00 55.97 55.29 2gfu s LYS 169 Cb -0.14 -2.17 1.72 0.00 -1.51 0.00 0.00 37.83 35.73 2gfu s LYS 169 CO 0.14 0.39 2.03 -1.35 -0.36 0.00 0.00 175.35 176.20 2gfu h PRO 170 N 6.03 0.00 -0.22 4.03 0.11 -1.99 -0.59 132.00 139.37 2gfu h PRO 170 Ca -0.33 0.00 -0.14 0.00 0.11 0.00 0.00 66.00 65.64 2gfu h PRO 170 Cb 1.17 0.00 -0.01 0.00 0.11 0.00 0.00 31.00 32.27 2gfu h PRO 170 CO 0.47 0.00 -0.46 0.93 -0.21 0.00 0.00 178.00 178.73 2gfu h GLU 171 N 0.00 0.56 0.01 1.05 5.08 -1.91 0.03 114.58 119.39 2gfu h GLU 171 Ca 0.06 -0.31 -0.20 0.00 -1.00 0.00 0.00 59.36 57.91 2gfu h GLU 171 Cb 0.62 0.02 -0.01 0.00 0.50 0.00 0.00 28.75 29.87 2gfu h GLU 171 CO -0.00 0.90 -0.92 0.82 -1.00 0.00 0.00 179.01 178.82 2gfu h ILE 172 N 0.45 1.51 0.13 3.13 2.04 -1.38 -2.29 117.51 121.10 2gfu h ILE 172 Ca 0.03 -2.72 -0.01 0.00 1.00 0.00 0.00 64.86 63.16 2gfu h ILE 172 Cb 0.98 2.54 0.00 0.00 -0.74 0.00 0.00 36.82 39.59 2gfu h ILE 172 CO 0.09 0.79 -0.06 -0.07 0.00 0.00 0.00 178.15 178.90 2gfu h LEU 173 N 0.09 -0.15 -1.55 1.44 3.38 -1.44 -2.00 115.31 115.08 2gfu h LEU 173 Ca -0.05 -0.26 0.07 0.00 0.09 0.00 0.00 57.88 57.73 2gfu h LEU 173 Cb 1.56 0.04 -0.04 0.00 0.09 0.00 0.00 40.66 42.32 2gfu h LEU 173 CO 0.14 0.19 0.40 -0.09 0.09 0.00 0.00 178.44 179.16 2gfu h ARG 174 N -0.50 0.52 0.04 1.13 2.43 -1.00 0.16 114.38 117.16 2gfu h ARG 174 Ca -0.02 -0.03 -0.00 0.00 -0.81 0.00 0.00 59.98 59.12 2gfu h ARG 174 Cb 0.40 -0.12 0.00 0.00 -0.42 0.00 0.00 29.97 29.83 2gfu h ARG 174 CO 0.03 0.35 -0.02 0.00 -1.51 0.00 0.00 179.97 178.82 2gfu h ALA 175 N 1.68 -0.05 -0.15 2.80 0.00 -1.45 0.65 119.26 122.73 2gfu h ALA 175 Ca 0.26 -0.23 -0.10 0.00 0.00 0.00 0.00 54.91 54.84 2gfu h ALA 175 Cb 0.33 0.02 -0.01 0.00 0.00 0.00 0.00 17.79 18.13 2gfu h ALA 175 CO -0.08 -0.30 -0.35 0.52 0.00 0.00 0.00 179.25 179.05 2gfu h MET 176 N -0.52 0.31 -0.03 0.00 2.86 -0.96 -0.19 114.93 116.41 2gfu h MET 176 Ca -0.01 -0.13 -0.02 0.00 -2.06 0.00 0.00 59.70 57.48 2gfu h MET 176 Cb 0.47 -0.01 0.00 0.00 0.06 0.00 0.00 31.60 32.12 2gfu h MET 176 CO 0.01 0.63 -0.07 1.96 1.06 0.00 0.00 176.91 180.50 2gfu h GLN 177 N 0.27 0.10 -0.35 1.72 4.20 -1.06 -0.06 115.11 119.93 2gfu h GLN 177 Ca 0.03 -0.07 -0.15 0.00 0.06 0.00 0.00 58.65 58.53 2gfu h GLN 177 Cb 0.74 0.01 -0.01 0.00 0.30 0.00 0.00 27.48 28.53 2gfu h GLN 177 CO 0.06 0.67 -0.37 0.07 -0.67 0.00 0.00 178.83 178.59 2gfu h ARG 178 N -0.46 0.82 0.10 1.46 0.11 -0.91 -2.09 114.38 113.41 2gfu h ARG 178 Ca -0.00 -0.41 -0.00 0.00 0.10 0.00 0.00 59.98 59.66 2gfu h ARG 178 Cb 0.67 0.01 0.00 0.00 1.11 0.00 0.00 29.97 31.76 2gfu h ARG 178 CO 0.02 1.05 -0.05 0.00 0.10 0.00 0.00 179.97 181.09 2gfu h ALA 179 N 0.90 -0.13 -0.79 0.08 0.00 -1.15 -2.86 119.26 115.30 2gfu h ALA 179 Ca 0.06 -0.07 0.12 0.00 0.00 0.00 0.00 54.91 55.02 2gfu h ALA 179 Cb 0.93 0.05 -0.08 0.00 0.00 0.00 0.00 17.79 18.69 2gfu h ALA 179 CO 0.09 -0.53 0.40 0.22 0.00 0.00 0.00 179.25 179.43 2gfu h ASP 180 N -0.23 0.51 -0.02 0.00 3.58 -0.99 0.31 116.42 119.58 2gfu h ASP 180 Ca -0.01 0.08 -0.09 0.00 0.42 0.00 0.00 57.03 57.43 2gfu h ASP 180 Cb 0.19 -0.01 -0.01 0.00 1.72 0.00 0.00 39.33 41.22 2gfu h ASP 180 CO 0.02 0.25 -0.23 1.05 -2.88 0.00 0.00 179.24 177.46 2gfu h GLU 181 N 0.63 0.41 0.01 0.28 4.11 -1.39 -1.98 114.58 116.66 2gfu h GLU 181 Ca 0.41 -0.14 -0.12 0.00 0.07 0.00 0.00 59.36 59.57 2gfu h GLU 181 Cb 0.50 -0.03 0.01 0.00 0.50 0.00 0.00 28.75 29.73 2gfu h GLU 181 CO -0.32 0.62 -0.48 0.00 0.07 0.00 0.00 179.01 178.90 2gfu h ALA 182 N 1.39 0.04 -0.33 1.06 0.00 -1.10 -3.23 119.26 117.09 2gfu h ALA 182 Ca 0.06 -0.54 0.07 0.00 0.00 0.00 0.00 54.91 54.49 2gfu h ALA 182 Cb 0.61 0.03 -0.06 0.00 0.00 0.00 0.00 17.79 18.37 2gfu h ALA 182 CO 0.04 0.25 -0.07 1.25 0.00 0.00 0.00 179.25 180.72 2gfu h LEU 183 N -0.29 -0.28 -0.14 0.00 6.46 -0.46 -2.50 115.31 118.09 2gfu h LEU 183 Ca -0.06 0.10 0.00 0.00 -0.12 0.00 0.00 57.88 57.79 2gfu h LEU 183 Cb 1.23 0.20 0.00 0.00 -0.73 0.00 0.00 40.66 41.36 2gfu h LEU 183 CO 0.09 -0.10 -0.27 -0.46 -0.62 0.00 0.00 178.44 177.08 2gfu n ASN 184 N -5.26 0.49 0.00 1.25 0.23 -0.74 -4.77 115.26 106.45 2gfu n ASN 184 Ca 0.01 -0.29 0.00 0.00 -0.53 0.00 0.00 54.58 53.77 2gfu n ASN 184 Cb 0.18 0.01 0.00 0.00 -2.08 0.00 0.00 39.78 37.89 2gfu n ASN 184 CO 0.00 0.00 0.00 0.29 -0.93 0.00 0.00 177.26 176.62 2gfu n LYS 185 N -1.23 0.00 -4.09 -3.83 5.02 -1.09 -5.06 118.16 107.88 2gfu n LYS 185 Ca 0.09 0.00 -0.13 0.00 -2.02 0.00 0.00 58.31 56.25 2gfu n LYS 185 Cb 0.32 0.00 -0.11 0.00 -0.02 0.00 0.00 35.03 35.22 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 1.00 1.00 0.38 4.39 1.01 -0.96 -5.06 116.67 118.43 2gfu s ASP 186 Ca 0.00 -0.61 0.15 0.00 0.71 0.00 0.00 52.55 52.80 2gfu s ASP 186 Cb 0.00 0.03 0.99 0.00 1.01 0.00 0.00 42.92 44.95 2gfu s ASP 186 CO 0.00 -0.21 1.82 0.50 0.21 0.00 0.00 175.17 177.49 2gfu h LYS 187 N 4.31 0.49 -0.34 8.23 3.64 -1.94 -1.84 116.57 129.12 2gfu h LYS 187 Ca -0.36 -0.03 0.10 0.00 -1.27 0.00 0.00 60.65 59.09 2gfu h LYS 187 Cb 1.20 -0.11 -0.01 0.00 -0.41 0.00 0.00 32.23 32.89 2gfu h LYS 187 CO 0.43 0.33 0.28 0.97 -2.27 0.00 0.00 179.45 179.18 2gfu h ILE 188 N 0.51 0.68 -0.23 2.00 2.10 -1.96 0.43 117.51 121.04 2gfu h ILE 188 Ca 0.52 0.00 -0.13 0.00 1.08 0.00 0.00 64.86 66.32 2gfu h ILE 188 Cb 1.15 0.80 -0.00 0.00 -1.09 0.00 0.00 36.82 37.68 2gfu h ILE 188 CO -0.25 0.00 -0.38 0.11 -1.08 0.00 0.00 178.15 176.55 2gfu h LYS 189 N 0.00 0.66 0.02 2.19 6.56 -1.65 -2.72 116.57 121.64 2gfu h LYS 189 Ca 0.16 -0.41 -0.19 0.00 -1.06 0.00 0.00 60.65 59.15 2gfu h LYS 189 Cb 0.71 0.04 0.02 0.00 -0.57 0.00 0.00 32.23 32.43 2gfu h LYS 189 CO -0.00 1.03 -0.77 0.07 -2.06 0.00 0.00 179.45 177.71 2gfu h ARG 190 N 0.37 0.49 -0.02 3.15 -0.00 -1.63 -3.35 114.38 113.39 2gfu h ARG 190 Ca 0.02 -0.55 -0.12 0.00 -0.00 0.00 0.00 59.98 59.33 2gfu h ARG 190 Cb 0.98 0.16 -0.01 0.00 -0.00 0.00 0.00 29.97 31.10 2gfu h ARG 190 CO 0.09 1.19 -0.52 1.25 -0.00 0.00 0.00 179.97 181.97 2gfu h LEU 191 N 0.02 0.07 0.00 0.08 5.85 -1.03 0.38 115.31 120.68 2gfu h LEU 191 Ca -0.10 -0.04 0.00 0.00 0.84 0.00 0.00 57.88 58.58 2gfu h LEU 191 Cb 1.48 -0.02 0.00 0.00 0.37 0.00 0.00 40.66 42.49 2gfu h LEU 191 CO 0.15 0.58 -0.28 -0.62 -0.34 0.00 0.00 178.44 177.93 2gfu n GLU 192 N -3.92 0.13 -0.13 1.25 -0.58 -1.02 -3.85 120.64 112.51 2gfu n GLU 192 Ca -0.02 0.07 -0.28 0.00 -0.42 0.00 0.00 57.16 56.51 2gfu n GLU 192 Cb 0.54 -1.61 -0.10 0.00 -0.57 0.00 0.00 31.44 29.70 2gfu n GLU 192 CO 0.00 0.00 0.00 1.28 -0.48 0.00 0.00 177.13 177.93 2gfu n LEU 193 N -1.82 1.93 0.00 -4.62 4.32 -1.11 -4.72 117.00 110.98 2gfu n LEU 193 Ca 0.05 0.36 0.00 0.00 -0.02 0.00 0.00 56.01 56.41 2gfu n LEU 193 Cb 0.38 -0.86 0.00 0.00 -1.62 0.00 0.00 43.42 41.32 2gfu n LEU 193 CO 0.32 0.50 0.00 0.00 -1.22 0.00 0.00 177.39 176.99 2gfu n ALA 194 N -4.03 0.00 -1.52 -1.18 0.00 0.13 -0.75 120.51 113.16 2gfu n ALA 194 Ca -0.49 0.00 -0.01 0.00 0.00 0.00 0.00 53.44 52.95 2gfu n ALA 194 Cb 0.83 0.00 0.20 0.00 0.00 0.00 0.00 19.45 20.49 2gfu n ALA 194 CO 0.00 0.00 0.00 1.33 0.00 0.00 0.00 177.50 178.83 2gfu n VAL 195 N 0.00 2.43 -1.35 0.00 0.24 -1.26 -4.93 118.33 113.46 2gfu n VAL 195 Ca 0.00 -2.96 0.00 0.00 -2.04 0.00 0.00 64.34 59.34 2gfu n VAL 195 Cb 0.00 -0.29 0.00 0.00 -1.47 0.00 0.00 33.84 32.08 2gfu n VAL 195 CO 0.00 0.00 0.00 -0.24 -2.14 0.00 0.00 176.83 174.45 2gfu n SER 196 N -1.13 -1.80 -4.86 -1.34 2.88 -0.58 -4.49 113.62 102.31 2gfu n SER 196 Ca 0.28 0.00 -0.32 0.00 -1.33 0.00 0.00 58.87 57.50 2gfu n SER 196 Cb 0.91 -0.49 -0.05 0.00 -0.75 0.00 0.00 64.21 63.83 2gfu n SER 196 CO 0.00 0.00 0.00 -1.81 -1.23 0.00 0.00 175.04 172.00 2gfu s ASP 197 N -2.83 6.08 -0.65 -3.46 1.01 0.07 -5.05 116.67 111.85 2gfu s ASP 197 Ca 0.00 0.21 -0.03 0.00 0.71 0.00 0.00 52.55 53.44 2gfu s ASP 197 Cb 0.00 -1.82 0.17 0.00 1.01 0.00 0.00 42.92 42.28 2gfu s ASP 197 CO 0.00 0.21 0.47 -1.61 0.21 0.00 0.00 175.17 174.45 2gfu s GLU 198 N -2.23 2.64 -1.43 8.23 0.41 -1.26 -4.71 118.70 120.34 2gfu s GLU 198 Ca 0.30 -2.58 -0.09 0.00 -0.41 0.00 0.00 54.97 52.19 2gfu s GLU 198 Cb -0.13 -3.76 -0.07 0.00 -1.78 0.00 0.00 34.13 28.39 2gfu s GLU 198 CO 0.22 -1.18 2.70 -0.35 -0.49 0.00 0.00 175.26 176.16 2gfu n PRO 199 N 3.42 3.23 -3.30 0.39 -0.04 -1.26 -4.84 135.00 132.60 2gfu n PRO 199 Ca 0.09 -2.04 -0.45 0.00 -0.04 0.00 0.00 63.50 61.06 2gfu n PRO 199 Cb 0.38 -2.75 0.00 0.00 -0.04 0.00 0.00 33.50 31.09 2gfu n PRO 199 CO 0.00 0.00 0.00 0.43 -0.04 0.00 0.00 175.50 175.89 2gfu n SER 200 N 3.96 5.53 -0.12 3.54 7.64 -1.26 -5.24 113.62 127.67 2gfu n SER 200 Ca 0.69 -3.05 0.16 0.00 1.01 0.00 0.00 58.87 57.68 2gfu n SER 200 Cb 0.22 -1.39 0.85 0.00 -1.01 0.00 0.00 64.21 62.88 2gfu n SER 200 CO 0.00 0.00 0.00 -0.62 -3.01 0.00 0.00 175.04 171.41