#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3gni s HIS -14 N 0.00 2.24 -0.31 0.00 -3.43 -1.26 -5.06 115.29 107.47 3gni s HIS -14 Ca 0.00 -0.82 0.08 0.00 -0.80 0.00 0.00 55.06 53.52 3gni s HIS -14 Cb 0.00 -1.54 0.49 0.00 -1.43 0.00 0.00 32.58 30.09 3gni s HIS -14 CO 0.00 0.23 1.44 0.72 -2.00 0.00 0.00 174.74 175.14 3gni n HIS -13 N -0.85 1.42 -2.14 0.38 8.25 -1.26 -4.72 115.22 116.30 3gni n HIS -13 Ca -0.04 -1.81 -0.27 0.00 -0.26 0.00 0.00 57.72 55.33 3gni n HIS -13 Cb 0.67 -0.52 0.02 0.00 1.12 0.00 0.00 29.99 31.27 3gni n HIS -13 CO 0.00 0.00 0.00 0.72 0.64 0.00 0.00 176.34 177.70 3gni n HIS -12 N -1.05 3.07 1.19 4.41 -0.00 -1.26 -4.70 115.22 116.88 3gni n HIS -12 Ca 0.36 -2.64 0.14 0.00 -0.00 0.00 0.00 57.72 55.57 3gni n HIS -12 Cb 0.97 -0.37 0.51 0.00 -0.00 0.00 0.00 29.99 31.10 3gni n HIS -12 CO 0.00 0.00 0.00 0.72 -0.00 0.00 0.00 176.34 177.06 3gni n HIS -11 N -0.62 0.00 1.09 4.41 -0.00 -1.26 -3.29 115.22 115.55 3gni n HIS -11 Ca 0.44 0.00 0.00 0.00 -0.00 0.00 0.00 57.72 58.16 3gni n HIS -11 Cb 0.78 -0.28 0.01 0.00 -0.00 0.00 0.00 29.99 30.50 3gni n HIS -11 CO 0.00 0.00 0.00 -2.39 -0.00 0.00 0.00 176.34 173.95 3gni n HIS -10 N -1.23 0.05 -0.21 4.41 1.44 -1.26 -4.48 115.22 113.94 3gni n HIS -10 Ca 0.10 -0.02 -0.09 0.00 -2.01 0.00 0.00 57.72 55.70 3gni n HIS -10 Cb 0.31 -0.10 0.02 0.00 0.12 0.00 0.00 29.99 30.35 3gni n HIS -10 CO 0.00 0.00 0.00 1.25 -2.81 0.00 0.00 176.34 174.78 3gni h HIS -9 N 0.11 1.06 -0.78 -1.40 6.17 -1.95 0.39 115.15 118.76 3gni h HIS -9 Ca 0.00 -0.16 0.18 0.00 0.71 0.00 0.00 60.37 61.10 3gni h HIS -9 Cb 0.47 -0.29 -0.13 0.00 2.52 0.00 0.00 27.41 29.98 3gni h HIS -9 CO 0.03 0.94 0.04 1.98 0.71 0.00 0.00 177.93 181.63 3gni h MET -8 N 0.89 0.12 0.02 5.26 4.05 -1.83 0.19 114.93 123.63 3gni h MET -8 Ca 0.17 -0.01 -0.24 0.00 -0.28 0.00 0.00 59.70 59.35 3gni h MET -8 Cb 0.47 -0.03 -0.03 0.00 -0.80 0.00 0.00 31.60 31.22 3gni h MET -8 CO 0.02 0.08 -1.20 1.49 0.23 0.00 0.00 176.91 177.53 3gni h GLU -7 N 0.12 0.05 -0.88 0.39 4.81 -1.83 -3.34 114.58 113.89 3gni h GLU -7 Ca 0.44 -0.08 0.18 0.00 -0.13 0.00 0.00 59.36 59.77 3gni h GLU -7 Cb 0.79 0.03 -0.07 0.00 0.63 0.00 0.00 28.75 30.13 3gni h GLU -7 CO -0.67 0.94 0.58 -0.97 -0.73 0.00 0.00 179.01 178.16 3gni h ASN -6 N 0.01 0.50 -4.65 1.04 -0.73 0.18 -3.41 115.58 108.53 3gni h ASN -6 Ca -0.09 0.04 -0.08 0.00 1.87 0.00 0.00 56.30 58.04 3gni h ASN -6 Cb 1.85 -0.05 -0.20 0.00 0.27 0.00 0.00 38.32 40.19 3gni h ASN -6 CO 0.13 0.22 -0.01 -1.48 -0.37 0.00 0.00 177.43 175.92 3gni s LEU -5 N -9.58 -0.09 0.00 0.34 0.05 -0.85 -4.88 118.68 103.67 3gni s LEU -5 Ca -0.09 0.69 0.00 0.00 0.05 0.00 0.00 54.13 54.78 3gni s LEU -5 Cb 0.22 2.00 0.00 0.00 -2.05 0.00 0.00 46.19 46.37 3gni s LEU -5 CO 0.78 -0.43 0.00 0.00 -0.55 0.00 0.00 176.35 176.15 3gni n TYR -4 N 1.63 0.00 -2.99 3.48 0.18 -1.26 -4.66 117.16 113.54 3gni n TYR -4 Ca -0.18 0.00 -0.44 0.00 1.88 0.00 0.00 57.90 59.16 3gni n TYR -4 Cb 0.56 0.00 -0.01 0.00 -0.38 0.00 0.00 39.34 39.52 3gni n TYR -4 CO 0.00 0.00 0.00 -0.06 -2.08 0.00 0.00 176.86 174.72 3gni s PHE -3 N 0.00 3.51 0.00 -3.48 0.40 -1.26 -5.14 117.98 112.01 3gni s PHE -3 Ca 0.00 -2.04 0.00 0.00 -0.60 0.00 0.00 56.93 54.29 3gni s PHE -3 Cb 0.00 -4.25 0.00 0.00 0.51 0.00 0.00 43.02 39.28 3gni s PHE -3 CO 0.00 -1.36 0.00 1.04 0.70 0.00 0.00 175.22 175.60 3gni n GLN -2 N 5.50 2.18 0.00 0.44 1.13 -1.26 -5.17 117.38 120.20 3gni n GLN -2 Ca 0.32 0.00 0.00 0.00 -1.94 0.00 0.00 57.00 55.38 3gni n GLN -2 Cb 0.44 0.00 0.00 0.00 0.11 0.00 0.00 30.24 30.79 3gni n GLN -2 CO 0.00 0.00 0.00 0.43 -1.44 0.00 0.00 177.06 176.05 3gni n SER 60 N 0.00 0.00 -4.79 1.08 7.64 -1.26 -5.28 113.62 111.01 3gni n SER 60 Ca 0.00 0.00 -0.32 0.00 1.01 0.00 0.00 58.87 59.56 3gni n SER 60 Cb 0.00 0.00 0.06 0.00 -1.01 0.00 0.00 64.21 63.26 3gni n SER 60 CO 0.00 0.00 0.00 -0.44 -3.01 0.00 0.00 175.04 171.59 3gni s SER 61 N -4.00 5.12 0.12 6.43 0.01 -1.26 -5.04 113.70 115.07 3gni s SER 61 Ca 0.00 1.81 -0.04 0.00 1.31 0.00 0.00 55.95 59.03 3gni s SER 61 Cb 0.00 -2.52 -0.05 0.00 0.21 0.00 0.00 66.02 63.65 3gni s SER 61 CO 0.00 -1.62 0.33 -0.36 0.41 0.00 0.00 173.24 172.00 3gni s PHE 62 N -2.73 3.49 0.14 2.43 0.08 -1.08 -5.06 117.98 115.26 3gni s PHE 62 Ca 0.62 0.49 -0.32 0.00 0.12 0.00 0.00 56.93 57.84 3gni s PHE 62 Cb -0.17 -1.95 -0.12 0.00 -0.57 0.00 0.00 43.02 40.21 3gni s PHE 62 CO 0.49 0.48 1.75 1.28 -0.10 0.00 0.00 175.22 179.12 3gni n LEU 63 N 0.19 3.78 -3.57 -0.37 4.32 -1.26 -4.76 117.00 115.33 3gni n LEU 63 Ca -0.03 1.03 -0.41 0.00 -0.02 0.00 0.00 56.01 56.58 3gni n LEU 63 Cb 0.52 -1.52 -0.00 0.00 -1.62 0.00 0.00 43.42 40.80 3gni n LEU 63 CO 0.49 0.06 2.40 -0.81 -1.22 0.00 0.00 177.39 178.31 3gni n PRO 64 N 4.73 4.20 -3.71 3.23 -0.04 -1.26 -4.84 135.00 137.30 3gni n PRO 64 Ca 0.18 -3.32 -0.14 0.00 -0.04 0.00 0.00 63.50 60.18 3gni n PRO 64 Cb 0.34 -2.75 -0.14 0.00 -0.04 0.00 0.00 33.50 30.92 3gni n PRO 64 CO 0.00 0.00 0.00 -1.21 -0.04 0.00 0.00 175.50 174.25 3gni s GLU 65 N -0.27 0.14 0.24 0.54 2.02 -1.26 -4.85 118.70 115.26 3gni s GLU 65 Ca 0.52 0.52 -0.05 0.00 0.02 0.00 0.00 54.97 55.97 3gni s GLU 65 Cb 0.16 -0.15 0.45 0.00 0.10 0.00 0.00 34.13 34.69 3gni s GLU 65 CO -0.06 -0.20 1.68 0.78 0.02 0.00 0.00 175.26 177.47 3gni h GLY 66 N 7.56 0.99 1.56 -1.39 0.00 -1.89 -2.22 103.07 107.69 3gni h GLY 66 Ca -0.33 -0.02 0.01 0.00 0.00 0.00 0.00 47.33 46.98 3gni h GLY 66 CO 0.32 -0.20 0.21 -1.33 0.00 0.00 0.00 176.54 175.53 3gni h GLY 67 N 0.25 0.00 2.00 4.60 0.00 -1.97 -1.88 103.07 106.07 3gni h GLY 67 Ca 0.41 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.74 3gni h GLY 67 CO -0.51 0.00 0.00 0.00 0.00 0.00 0.00 176.54 176.03 3gni s TYR 69 N -3.16 2.80 -0.39 0.00 1.51 -0.71 0.59 117.35 117.99 3gni s TYR 69 Ca 0.07 -0.62 -0.12 0.00 -1.01 0.00 0.00 57.07 55.39 3gni s TYR 69 Cb 0.11 -1.83 0.03 0.00 -0.11 0.00 0.00 41.96 40.16 3gni s TYR 69 CO 0.42 -0.19 0.23 -2.00 -1.11 0.00 0.00 175.55 172.90 3gni s GLU 70 N 0.28 2.84 -0.00 -0.62 2.12 -0.56 -4.96 118.70 117.80 3gni s GLU 70 Ca -0.10 -1.10 -0.30 0.00 0.36 0.00 0.00 54.97 53.83 3gni s GLU 70 Cb -0.16 -3.80 -0.06 0.00 0.26 0.00 0.00 34.13 30.37 3gni s GLU 70 CO 0.06 -0.74 1.57 -0.51 -0.54 0.00 0.00 175.26 175.10 3gni s LEU 71 N 1.58 4.33 0.00 2.70 1.02 -1.26 -1.30 118.68 125.74 3gni s LEU 71 Ca 0.03 2.26 0.00 0.00 0.02 0.00 0.00 54.13 56.43 3gni s LEU 71 Cb -0.19 -3.55 0.00 0.00 0.02 0.00 0.00 46.19 42.47 3gni s LEU 71 CO 0.07 -0.85 0.00 0.18 0.02 0.00 0.00 176.35 175.77 3gni n LEU 72 N 6.14 0.00 -4.74 1.79 7.99 0.51 -4.98 117.00 123.72 3gni n LEU 72 Ca 0.16 0.00 -0.36 0.00 -0.01 0.00 0.00 56.01 55.80 3gni n LEU 72 Cb 0.42 0.00 0.07 0.00 -0.11 0.00 0.00 43.42 43.80 3gni n LEU 72 CO 0.61 0.00 0.85 -0.89 -1.51 0.00 0.00 177.39 176.45 3gni s THR 73 N 4.44 2.32 0.01 -5.08 2.01 -1.26 -4.64 115.64 113.45 3gni s THR 73 Ca 0.00 0.18 -0.30 0.00 0.31 0.00 0.00 61.69 61.88 3gni s THR 73 Cb 0.00 -2.96 -0.06 0.00 0.01 0.00 0.00 72.50 69.49 3gni s THR 73 CO 0.00 -0.06 1.43 -0.69 -0.69 0.00 0.00 174.62 174.61 3gni s VAL 74 N -1.65 3.64 -0.56 3.82 1.01 -1.26 -0.68 120.40 124.71 3gni s VAL 74 Ca 0.78 1.03 0.13 0.00 0.00 0.00 0.00 61.98 63.92 3gni s VAL 74 Cb -0.32 -3.66 -0.15 0.00 0.00 0.00 0.00 36.38 32.25 3gni s VAL 74 CO 0.39 -0.00 0.53 2.30 0.00 0.00 0.00 175.10 178.32 3gni n ILE 75 N 4.68 0.00 -3.81 2.22 -5.35 0.79 -4.88 119.36 113.00 3gni n ILE 75 Ca 0.13 -0.20 -0.00 0.00 -0.27 0.00 0.00 62.75 62.41 3gni n ILE 75 Cb 0.43 0.92 0.01 0.00 -1.74 0.00 0.00 39.64 39.26 3gni n ILE 75 CO 0.00 0.00 0.00 -0.83 -1.76 0.00 0.00 176.55 173.96 3gni s GLY 76 N -2.38 -0.16 -0.10 3.28 0.00 -0.98 -5.02 107.32 101.97 3gni s GLY 76 Ca 0.04 0.14 -0.12 0.00 0.00 0.00 0.00 44.72 44.78 3gni s GLY 76 CO 0.54 2.27 0.33 1.25 0.00 0.00 0.00 173.10 177.49 3gni s LYS 77 N -2.37 0.46 0.00 2.90 2.47 -1.26 -1.43 119.74 120.51 3gni s LYS 77 Ca 0.20 0.30 0.00 0.00 -1.56 0.00 0.00 55.97 54.91 3gni s LYS 77 Cb 0.00 0.22 0.00 0.00 -1.46 0.00 0.00 37.83 36.59 3gni s LYS 77 CO 0.00 -0.08 0.00 0.41 0.16 0.00 0.00 175.35 175.84 3gni n GLY 78 N 2.48 2.76 3.72 5.54 0.00 -0.50 -4.97 105.19 114.23 3gni n GLY 78 Ca -0.15 -0.40 -0.27 0.00 0.00 0.00 0.00 46.02 45.20 3gni n GLY 78 CO 0.00 0.00 0.00 0.33 0.00 0.00 0.00 173.32 173.65 3gni n PHE 79 N 0.00 -1.49 -3.17 1.61 7.35 -1.26 -1.26 117.46 119.23 3gni n PHE 79 Ca 0.00 0.48 -0.23 0.00 -0.76 0.00 0.00 57.45 56.94 3gni n PHE 79 Cb 0.00 -2.26 0.02 0.00 0.35 0.00 0.00 39.48 37.59 3gni n PHE 79 CO 0.00 0.00 0.00 0.39 -0.76 0.00 0.00 176.76 176.39 3gni n GLU 80 N -2.94 -4.24 -1.04 -4.13 -0.58 -1.26 -0.98 120.64 105.47 3gni n GLU 80 Ca -0.22 0.71 -0.01 0.00 -0.42 0.00 0.00 57.16 57.22 3gni n GLU 80 Cb 0.54 -5.50 -0.01 0.00 -0.57 0.00 0.00 31.44 25.90 3gni n GLU 80 CO 0.00 0.00 0.00 -0.25 -0.48 0.00 0.00 177.13 176.40 3gni n ASP 81 N -2.42 -4.02 0.01 1.62 10.43 -0.44 -4.89 116.55 116.84 3gni n ASP 81 Ca -0.07 0.04 0.11 0.00 2.57 0.00 0.00 54.79 57.44 3gni n ASP 81 Cb 0.58 -1.65 -0.08 0.00 1.84 0.00 0.00 41.12 41.82 3gni n ASP 81 CO 0.00 0.00 0.00 0.18 -1.07 0.00 0.00 177.20 176.31 3gni n LEU 82 N -0.17 0.57 -4.57 0.64 4.77 -0.16 -4.88 117.00 113.21 3gni n LEU 82 Ca -0.01 -0.18 -0.34 0.00 -0.03 0.00 0.00 56.01 55.44 3gni n LEU 82 Cb 0.19 -0.04 -0.11 0.00 -2.33 0.00 0.00 43.42 41.13 3gni n LEU 82 CO 0.02 0.10 -0.30 -0.32 -1.33 0.00 0.00 177.39 175.57 3gni s MET 83 N -3.22 3.83 -0.19 3.23 1.75 -0.39 -3.91 119.30 120.39 3gni s MET 83 Ca 0.02 -0.43 -0.08 0.00 -1.25 0.00 0.00 55.69 53.95 3gni s MET 83 Cb 0.15 -3.08 -0.04 0.00 2.84 0.00 0.00 34.83 34.70 3gni s MET 83 CO 0.86 0.25 0.07 0.99 -0.65 0.00 0.00 175.02 176.54 3gni s THR 84 N 0.38 4.82 -0.32 10.11 2.01 -0.12 -1.41 115.64 131.11 3gni s THR 84 Ca -0.00 -0.02 -0.10 0.00 0.31 0.00 0.00 61.69 61.88 3gni s THR 84 Cb -0.13 -3.18 -0.01 0.00 0.01 0.00 0.00 72.50 69.19 3gni s THR 84 CO 0.01 0.44 0.17 -0.69 -0.69 0.00 0.00 174.62 173.86 3gni s VAL 85 N 0.53 4.69 -0.06 3.82 1.01 -0.51 -0.48 120.40 129.40 3gni s VAL 85 Ca 0.04 -0.40 0.00 0.00 0.00 0.00 0.00 61.98 61.62 3gni s VAL 85 Cb -0.13 -3.40 -0.03 0.00 0.00 0.00 0.00 36.38 32.82 3gni s VAL 85 CO 0.01 0.05 -0.04 0.20 0.00 0.00 0.00 175.10 175.32 3gni s ASN 86 N 1.63 4.87 0.26 3.32 -0.87 0.68 -0.15 114.94 124.67 3gni s ASN 86 Ca 0.05 0.02 -0.30 0.00 -1.57 0.00 0.00 52.86 51.06 3gni s ASN 86 Cb -0.17 -1.26 -0.09 0.00 -0.02 0.00 0.00 41.25 39.70 3gni s ASN 86 CO 0.07 0.35 1.01 -0.22 -2.57 0.00 0.00 177.10 175.74 3gni s LEU 87 N -0.98 4.60 0.04 0.60 2.96 0.14 -0.61 118.68 125.43 3gni s LEU 87 Ca 0.14 2.09 -0.02 0.00 -0.22 0.00 0.00 54.13 56.11 3gni s LEU 87 Cb -0.11 -3.63 -0.02 0.00 0.50 0.00 0.00 46.19 42.93 3gni s LEU 87 CO 0.03 0.02 0.02 0.00 -1.32 0.00 0.00 176.35 175.10 3gni s ALA 88 N -1.18 0.20 -0.30 5.97 0.00 0.15 -0.36 121.76 126.23 3gni s ALA 88 Ca 0.43 -0.81 -0.10 0.00 0.00 0.00 0.00 51.96 51.47 3gni s ALA 88 Cb -0.28 0.24 -0.02 0.00 0.00 0.00 0.00 23.12 23.05 3gni s ALA 88 CO 0.36 -0.30 0.17 0.50 0.00 0.00 0.00 175.76 176.49 3gni s ARG 89 N -2.84 3.57 -0.55 0.00 3.52 -0.42 -1.02 118.95 121.20 3gni s ARG 89 Ca -0.03 -0.57 -0.27 0.00 -0.13 0.00 0.00 55.73 54.73 3gni s ARG 89 Cb 0.00 -3.62 -0.01 0.00 -1.56 0.00 0.00 34.95 29.76 3gni s ARG 89 CO -0.06 -0.34 1.70 -0.47 -0.81 0.00 0.00 175.30 175.32 3gni s TYR 90 N 1.68 1.89 0.24 5.12 5.04 0.12 -1.49 117.35 129.95 3gni s TYR 90 Ca 0.06 0.63 -0.05 0.00 -2.44 0.00 0.00 57.07 55.27 3gni s TYR 90 Cb -0.17 -4.21 0.41 0.00 0.35 0.00 0.00 41.96 38.34 3gni s TYR 90 CO 0.08 -2.32 1.76 0.87 -1.34 0.00 0.00 175.55 174.60 3gni h LYS 91 N 13.25 0.53 0.00 4.97 1.57 -0.17 0.40 116.57 137.12 3gni h LYS 91 Ca -0.28 -0.03 0.00 0.00 -1.87 0.00 0.00 60.65 58.47 3gni h LYS 91 Cb 1.14 -0.12 0.00 0.00 0.08 0.00 0.00 32.23 33.33 3gni h LYS 91 CO 1.18 0.35 0.00 -2.30 -0.57 0.00 0.00 179.45 178.11 3gni n PRO 92 N -4.92 0.12 0.00 3.15 -0.02 -1.26 -3.38 135.00 128.69 3gni n PRO 92 Ca 0.13 0.53 0.00 0.00 -2.02 0.00 0.00 63.50 62.14 3gni n PRO 92 Cb 0.35 -1.83 0.00 0.00 -0.02 0.00 0.00 33.50 32.00 3gni n PRO 92 CO 0.00 0.00 0.00 0.25 1.98 0.00 0.00 175.50 177.73 3gni n THR 93 N -2.07 0.00 -0.35 3.45 -2.24 -0.70 -5.01 114.28 107.36 3gni n THR 93 Ca 0.00 -0.20 0.00 0.00 -2.27 0.00 0.00 64.05 61.59 3gni n THR 93 Cb 0.09 1.21 0.00 0.00 -2.10 0.00 0.00 70.33 69.54 3gni n THR 93 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 3gni n GLY 94 N 0.25 0.96 3.76 3.38 0.00 0.13 -4.98 105.19 108.69 3gni n GLY 94 Ca 0.00 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 45.65 3gni n GLY 94 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 3gni s GLU 95 N -0.25 3.44 0.13 1.61 2.12 -1.23 -4.58 118.70 119.94 3gni s GLU 95 Ca 0.00 1.92 -0.29 0.00 0.36 0.00 0.00 54.97 56.96 3gni s GLU 95 Cb 0.00 -2.28 -0.06 0.00 0.26 0.00 0.00 34.13 32.05 3gni s GLU 95 CO 0.00 -0.85 0.94 0.71 -0.54 0.00 0.00 175.26 175.51 3gni s TYR 96 N -1.48 3.84 0.22 5.30 4.12 -1.26 -0.70 117.35 127.38 3gni s TYR 96 Ca 0.68 1.79 -0.01 0.00 0.02 0.00 0.00 57.07 59.55 3gni s TYR 96 Cb -0.32 -3.02 -0.04 0.00 -1.52 0.00 0.00 41.96 37.07 3gni s TYR 96 CO 0.38 0.26 0.18 0.14 0.02 0.00 0.00 175.55 176.54 3gni s VAL 97 N -0.23 0.00 -0.18 0.71 -7.23 -0.18 -4.21 120.40 109.07 3gni s VAL 97 Ca 0.45 -1.94 -0.05 0.00 -1.81 0.00 0.00 61.98 58.63 3gni s VAL 97 Cb -0.24 -2.48 -0.03 0.00 0.56 0.00 0.00 36.38 34.20 3gni s VAL 97 CO 0.30 0.00 -0.00 -0.89 -0.31 0.00 0.00 175.10 174.19 3gni s THR 98 N -4.06 4.10 -0.22 5.32 2.01 -0.11 -0.68 115.64 122.00 3gni s THR 98 Ca 0.38 -0.27 -0.05 0.00 0.31 0.00 0.00 61.69 62.05 3gni s THR 98 Cb 0.06 -2.83 -0.02 0.00 0.01 0.00 0.00 72.50 69.72 3gni s THR 98 CO 0.13 0.46 -0.01 -0.69 -0.69 0.00 0.00 174.62 173.82 3gni s VAL 99 N 0.65 3.66 -0.27 3.82 1.01 0.22 -1.12 120.40 128.37 3gni s VAL 99 Ca -0.00 -0.40 -0.12 0.00 0.00 0.00 0.00 61.98 61.45 3gni s VAL 99 Cb -0.14 -2.67 -0.05 0.00 0.00 0.00 0.00 36.38 33.52 3gni s VAL 99 CO 0.02 0.41 0.26 -0.13 0.00 0.00 0.00 175.10 175.66 3gni s ARG 100 N 1.41 3.98 -0.10 2.72 0.52 0.16 -0.23 118.95 127.41 3gni s ARG 100 Ca 0.05 -0.18 0.03 0.00 -0.52 0.00 0.00 55.73 55.11 3gni s ARG 100 Cb -0.14 -3.66 0.00 0.00 0.52 0.00 0.00 34.95 31.67 3gni s ARG 100 CO -0.01 -0.21 -0.21 1.03 0.02 0.00 0.00 175.30 175.92 3gni s ARG 101 N 1.86 2.78 -0.07 3.54 0.52 0.37 -1.13 118.95 126.83 3gni s ARG 101 Ca 0.10 -0.78 0.01 0.00 -0.52 0.00 0.00 55.73 54.53 3gni s ARG 101 Cb -0.16 -2.15 0.02 0.00 0.52 0.00 0.00 34.95 33.18 3gni s ARG 101 CO 0.10 0.12 -0.06 0.42 0.02 0.00 0.00 175.30 175.90 3gni s ILE 102 N 0.49 0.79 -0.35 1.52 1.01 -0.91 -0.95 121.20 122.80 3gni s ILE 102 Ca -0.16 -0.21 -0.29 0.00 0.00 0.00 0.00 60.65 59.99 3gni s ILE 102 Cb -0.17 -0.80 -0.00 0.00 0.01 0.00 0.00 42.46 41.50 3gni s ILE 102 CO 0.06 0.30 1.53 0.21 0.00 0.00 0.00 174.94 177.04 3gni s ASN 103 N 1.22 6.26 0.52 3.58 3.84 -1.25 -1.16 114.94 127.95 3gni s ASN 103 Ca -0.05 1.10 0.31 0.00 0.21 0.00 0.00 52.86 54.43 3gni s ASN 103 Cb -0.14 -2.54 1.17 0.00 -0.55 0.00 0.00 41.25 39.19 3gni s ASN 103 CO -0.02 -1.45 1.91 -0.07 -2.79 0.00 0.00 177.10 174.69 3gni h LEU 104 N 12.39 0.00 -1.54 3.21 4.07 -1.28 -2.51 115.31 129.64 3gni h LEU 104 Ca -0.30 0.00 -0.04 0.00 0.08 0.00 0.00 57.88 57.62 3gni h LEU 104 Cb 1.13 0.00 -0.01 0.00 1.08 0.00 0.00 40.66 42.86 3gni h LEU 104 CO 1.05 0.03 -0.14 -0.08 -1.08 0.00 0.00 178.44 178.22 3gni h GLU 105 N 0.00 0.11 -0.02 1.13 4.57 -1.91 -2.00 114.58 116.47 3gni h GLU 105 Ca -0.00 -0.02 0.00 0.00 -1.18 0.00 0.00 59.36 58.16 3gni h GLU 105 Cb 0.61 -0.02 0.00 0.00 -0.16 0.00 0.00 28.75 29.18 3gni h GLU 105 CO 0.00 0.26 0.00 0.00 -1.18 0.00 0.00 179.01 178.10 3gni n ALA 106 N -2.50 2.62 -2.81 2.92 0.00 -0.95 -4.85 120.51 114.94 3gni n ALA 106 Ca -0.02 -0.32 -0.36 0.00 0.00 0.00 0.00 53.44 52.75 3gni n ALA 106 Cb 0.25 -1.31 -0.07 0.00 0.00 0.00 0.00 19.45 18.31 3gni n ALA 106 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 3gni s SER 108 N -0.36 1.27 0.12 0.00 1.04 -1.26 -4.84 113.70 109.67 3gni s SER 108 Ca 0.12 0.98 -0.19 0.00 0.48 0.00 0.00 55.95 57.33 3gni s SER 108 Cb -0.12 -1.47 -0.05 0.00 0.10 0.00 0.00 66.02 64.48 3gni s SER 108 CO 0.01 -3.95 1.71 0.78 0.98 0.00 0.00 173.24 172.77 3gni h ASN 109 N -2.45 0.33 -0.99 7.02 2.35 -1.99 -2.04 115.58 117.80 3gni h ASN 109 Ca -0.51 -0.10 0.09 0.00 -0.55 0.00 0.00 56.30 55.23 3gni h ASN 109 Cb 1.32 -0.08 -0.07 0.00 0.05 0.00 0.00 38.32 39.53 3gni h ASN 109 CO 0.45 0.33 0.64 -0.08 -1.65 0.00 0.00 177.43 177.11 3gni h GLU 110 N 0.30 1.05 -0.17 0.81 4.81 -1.99 -1.70 114.58 117.68 3gni h GLU 110 Ca 0.09 -0.06 -0.11 0.00 -0.13 0.00 0.00 59.36 59.15 3gni h GLU 110 Cb 0.08 -0.24 -0.01 0.00 0.63 0.00 0.00 28.75 29.21 3gni h GLU 110 CO -0.01 0.69 -0.37 0.52 -0.73 0.00 0.00 179.01 179.11 3gni h MET 111 N 1.08 0.38 -0.43 1.92 2.86 -1.84 -0.97 114.93 117.92 3gni h MET 111 Ca 0.45 -0.17 -0.13 0.00 -2.06 0.00 0.00 59.70 57.79 3gni h MET 111 Cb 0.31 -0.01 -0.01 0.00 0.06 0.00 0.00 31.60 31.95 3gni h MET 111 CO -0.21 0.69 -0.25 0.28 1.06 0.00 0.00 176.91 178.49 3gni h VAL 112 N 0.32 1.27 -0.39 -2.22 2.07 -0.80 -2.11 116.25 114.40 3gni h VAL 112 Ca 0.03 -1.41 -0.01 0.00 0.82 0.00 0.00 66.70 66.13 3gni h VAL 112 Cb 0.79 1.25 -0.02 0.00 -1.52 0.00 0.00 31.29 31.80 3gni h VAL 112 CO 0.06 0.48 0.19 0.74 0.02 0.00 0.00 177.57 179.07 3gni h THR 113 N 0.75 1.16 -0.65 2.57 2.02 -1.16 -1.24 112.91 116.36 3gni h THR 113 Ca 0.09 -0.45 0.02 0.00 0.77 0.00 0.00 66.41 66.84 3gni h THR 113 Cb 0.83 0.75 -0.04 0.00 -1.74 0.00 0.00 68.15 67.95 3gni h THR 113 CO 0.07 0.17 0.42 0.15 0.37 0.00 0.00 175.52 176.70 3gni h PHE 114 N 0.49 0.79 -0.42 3.16 3.57 -1.16 -1.98 116.94 121.39 3gni h PHE 114 Ca 0.13 0.02 -0.12 0.00 3.53 0.00 0.00 57.97 61.53 3gni h PHE 114 Cb 0.10 -0.26 -0.01 0.00 2.79 0.00 0.00 35.95 38.56 3gni h PHE 114 CO -0.02 0.47 -0.23 -0.07 -2.23 0.00 0.00 178.31 176.24 3gni h LEU 115 N 0.84 0.87 -1.07 0.59 3.38 -1.17 -3.10 115.31 115.65 3gni h LEU 115 Ca 0.25 -0.32 -0.10 0.00 0.09 0.00 0.00 57.88 57.80 3gni h LEU 115 Cb -0.04 -0.24 -0.01 0.00 0.09 0.00 0.00 40.66 40.46 3gni h LEU 115 CO -0.08 1.06 -0.42 1.56 0.09 0.00 0.00 178.44 180.66 3gni h GLN 116 N 0.74 0.09 -0.80 1.13 4.20 -1.00 -2.93 115.11 116.54 3gni h GLN 116 Ca 0.10 -0.04 0.03 0.00 0.06 0.00 0.00 58.65 58.79 3gni h GLN 116 Cb 0.76 -0.00 -0.05 0.00 0.30 0.00 0.00 27.48 28.49 3gni h GLN 116 CO 0.06 0.50 0.51 0.78 -0.67 0.00 0.00 178.83 180.01 3gni h GLY 117 N 1.25 1.15 0.85 3.46 0.00 -1.29 -2.43 103.07 106.06 3gni h GLY 117 Ca 0.01 -0.39 0.06 0.00 0.00 0.00 0.00 47.33 47.01 3gni h GLY 117 CO 0.06 0.34 0.59 -2.09 0.00 0.00 0.00 176.54 175.44 3gni h GLU 118 N 1.01 1.01 -0.13 4.80 4.81 -1.45 -1.30 114.58 123.33 3gni h GLU 118 Ca 0.31 -0.06 -0.18 0.00 -0.13 0.00 0.00 59.36 59.31 3gni h GLU 118 Cb -0.01 -0.23 -0.00 0.00 0.63 0.00 0.00 28.75 29.13 3gni h GLU 118 CO -0.10 0.67 -0.65 -0.07 -0.73 0.00 0.00 179.01 178.12 3gni h LEU 119 N 1.04 0.56 0.09 1.64 3.38 -1.48 -1.96 115.31 118.58 3gni h LEU 119 Ca 0.39 -0.34 -0.00 0.00 0.09 0.00 0.00 57.88 58.02 3gni h LEU 119 Cb 0.19 -0.16 0.00 0.00 0.09 0.00 0.00 40.66 40.78 3gni h LEU 119 CO -0.15 1.06 -0.04 -0.74 0.09 0.00 0.00 178.44 178.67 3gni h HIS 120 N 0.35 -0.11 -0.29 1.13 2.76 -1.02 -3.04 115.15 114.94 3gni h HIS 120 Ca -0.02 -0.00 -0.08 0.00 -2.20 0.00 0.00 60.37 58.07 3gni h HIS 120 Cb 1.21 0.04 -0.02 0.00 1.55 0.00 0.00 27.41 30.20 3gni h HIS 120 CO 0.05 0.13 -0.16 0.28 -1.30 0.00 0.00 177.93 176.92 3gni h VAL 121 N -0.33 1.24 0.00 5.26 2.07 -1.19 -2.95 116.25 120.34 3gni h VAL 121 Ca -0.01 -1.10 -0.10 0.00 0.82 0.00 0.00 66.70 66.31 3gni h VAL 121 Cb 0.28 1.20 -0.01 0.00 -1.52 0.00 0.00 31.29 31.24 3gni h VAL 121 CO 0.02 0.36 -0.47 0.77 0.02 0.00 0.00 177.57 178.27 3gni h SER 122 N 0.46 0.00 1.88 0.57 4.64 -1.40 -2.63 113.55 117.07 3gni h SER 122 Ca 0.08 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.40 3gni h SER 122 Cb 0.55 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.64 3gni h SER 122 CO 0.04 0.47 -0.06 0.11 -0.87 0.00 0.00 176.83 176.52 3gni h LYS 123 N 0.00 0.00 0.00 4.77 1.79 -1.40 -3.23 116.57 118.50 3gni h LYS 123 Ca -0.00 0.00 -0.06 0.00 -2.18 0.00 0.00 60.65 58.40 3gni h LYS 123 Cb 1.08 0.00 -0.01 0.00 -1.58 0.00 0.00 32.23 31.72 3gni h LYS 123 CO 0.06 0.00 -0.29 -0.07 -1.08 0.00 0.00 179.45 178.07 3gni h LEU 124 N 0.00 0.00 -9.41 2.94 3.38 -1.33 -3.45 115.31 107.43 3gni h LEU 124 Ca 0.00 0.00 -0.61 0.00 0.09 0.00 0.00 57.88 57.36 3gni h LEU 124 Cb 0.97 0.00 -0.09 0.00 0.09 0.00 0.00 40.66 41.63 3gni h LEU 124 CO 0.00 0.29 -0.37 -0.36 0.09 0.00 0.00 178.44 178.10 3gni s PHE 125 N -3.25 3.51 -0.22 1.13 2.99 -1.14 -5.06 117.98 115.94 3gni s PHE 125 Ca 0.03 0.59 -0.04 0.00 0.00 0.00 0.00 56.93 57.51 3gni s PHE 125 Cb 0.08 -2.22 0.09 0.00 0.00 0.00 0.00 43.02 40.96 3gni s PHE 125 CO 0.69 0.40 0.15 1.21 -0.00 0.00 0.00 175.22 177.67 3gni s ASN 126 N -0.05 2.38 -0.15 1.36 3.04 -1.26 -4.97 114.94 115.29 3gni s ASN 126 Ca 0.16 -0.72 -0.18 0.00 0.04 0.00 0.00 52.86 52.15 3gni s ASN 126 Cb -0.13 -0.05 0.05 0.00 -1.54 0.00 0.00 41.25 39.58 3gni s ASN 126 CO 0.04 -0.37 0.49 -2.28 -3.04 0.00 0.00 177.10 171.93 3gni s HIS 127 N 2.20 -0.51 0.58 0.43 2.46 -1.26 -5.05 115.29 114.14 3gni s HIS 127 Ca 0.06 1.18 0.28 0.00 0.47 0.00 0.00 55.06 57.05 3gni s HIS 127 Cb -0.16 0.19 1.57 0.00 -0.13 0.00 0.00 32.58 34.06 3gni s HIS 127 CO -0.20 -0.31 2.03 -1.35 -2.47 0.00 0.00 174.74 172.44 3gni h PRO 128 N 4.97 0.00 -0.44 2.88 0.11 -1.99 -1.76 132.00 135.77 3gni h PRO 128 Ca -0.28 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.83 3gni h PRO 128 Cb 1.17 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.28 3gni h PRO 128 CO 0.24 0.00 0.00 0.09 -0.21 0.00 0.00 178.00 178.12 3gni n ASN 129 N -3.82 3.75 -4.33 -2.05 4.13 -1.26 -4.83 115.26 106.84 3gni n ASN 129 Ca 0.04 -2.37 -0.33 0.00 1.68 0.00 0.00 54.58 53.60 3gni n ASN 129 Cb 0.45 -0.42 -0.15 0.00 -1.54 0.00 0.00 39.78 38.12 3gni n ASN 129 CO 0.00 0.00 0.00 -0.63 0.28 0.00 0.00 177.26 176.91 3gni s ILE 130 N -1.68 2.76 0.07 2.41 1.01 -0.66 0.39 121.20 125.49 3gni s ILE 130 Ca 0.37 -0.77 -0.32 0.00 0.00 0.00 0.00 60.65 59.94 3gni s ILE 130 Cb 0.24 -2.13 -0.11 0.00 0.01 0.00 0.00 42.46 40.48 3gni s ILE 130 CO 0.18 0.54 1.86 0.55 0.00 0.00 0.00 174.94 178.06 3gni n VAL 131 N 3.47 0.47 -2.51 2.92 3.14 -1.04 -4.59 118.33 120.19 3gni n VAL 131 Ca -0.18 -0.08 -0.39 0.00 -2.96 0.00 0.00 64.34 60.72 3gni n VAL 131 Cb 0.53 -2.09 -0.04 0.00 -1.06 0.00 0.00 33.84 31.17 3gni n VAL 131 CO 0.00 0.00 0.00 -2.84 -6.46 0.00 0.00 176.83 167.53 3gni s PRO 132 N 3.22 4.50 -0.12 1.45 0.02 -1.26 -5.04 135.00 137.76 3gni s PRO 132 Ca 0.85 1.69 -0.07 0.00 0.02 0.00 0.00 61.00 63.49 3gni s PRO 132 Cb -0.52 -2.99 -0.04 0.00 0.02 0.00 0.00 34.50 30.98 3gni s PRO 132 CO 0.41 0.11 0.14 0.71 -0.33 0.00 0.00 177.00 178.04 3gni s TYR 133 N -1.32 3.59 -0.04 6.54 1.51 -1.26 -3.67 117.35 122.69 3gni s TYR 133 Ca 0.49 0.52 0.07 0.00 -1.01 0.00 0.00 57.07 57.14 3gni s TYR 133 Cb -0.28 -1.96 -0.10 0.00 -0.11 0.00 0.00 41.96 39.50 3gni s TYR 133 CO 0.36 0.70 0.10 0.54 -1.11 0.00 0.00 175.55 176.14 3gni n ARG 134 N 2.10 1.57 -3.58 -0.62 3.00 0.59 -4.99 116.66 114.71 3gni n ARG 134 Ca -0.20 -0.04 -0.11 0.00 -0.01 0.00 0.00 57.85 57.49 3gni n ARG 134 Cb 0.55 -1.19 -0.06 0.00 0.00 0.00 0.00 32.46 31.77 3gni n ARG 134 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.63 177.63 3gni s ALA 135 N -2.35 -1.92 -0.12 7.54 0.00 -1.15 -2.62 121.76 121.13 3gni s ALA 135 Ca -0.03 1.62 -0.06 0.00 0.00 0.00 0.00 51.96 53.49 3gni s ALA 135 Cb 0.04 -0.77 0.05 0.00 0.00 0.00 0.00 23.12 22.44 3gni s ALA 135 CO 0.31 -0.30 0.28 -0.08 0.00 0.00 0.00 175.76 175.96 3gni s THR 136 N -0.83 -0.16 0.17 0.00 -1.32 -1.26 -0.98 115.64 111.27 3gni s THR 136 Ca -0.02 0.18 -0.22 0.00 -1.21 0.00 0.00 61.69 60.42 3gni s THR 136 Cb -0.01 -0.44 0.06 0.00 -1.51 0.00 0.00 72.50 70.60 3gni s THR 136 CO 0.01 0.07 0.60 0.72 -2.21 0.00 0.00 174.62 173.81 3gni s PHE 137 N 1.63 -0.45 -0.19 9.09 -0.71 -0.49 -4.98 117.98 121.88 3gni s PHE 137 Ca -0.06 0.20 -0.20 0.00 -1.04 0.00 0.00 56.93 55.83 3gni s PHE 137 Cb -0.11 0.55 -0.03 0.00 -1.21 0.00 0.00 43.02 42.22 3gni s PHE 137 CO -0.09 -0.89 0.59 0.42 -1.34 0.00 0.00 175.22 173.91 3gni s ILE 138 N -3.78 5.06 -0.32 -4.49 -1.09 -1.26 -0.17 121.20 115.14 3gni s ILE 138 Ca 0.03 1.10 -0.02 0.00 -2.23 0.00 0.00 60.65 59.53 3gni s ILE 138 Cb -0.01 -3.91 0.06 0.00 -1.58 0.00 0.00 42.46 37.02 3gni s ILE 138 CO -0.10 0.15 0.04 0.00 -1.23 0.00 0.00 174.94 173.80 3gni s ALA 139 N 1.73 2.89 0.21 9.38 0.00 -0.26 -4.86 121.76 130.85 3gni s ALA 139 Ca 0.27 -1.93 -0.32 0.00 0.00 0.00 0.00 51.96 49.98 3gni s ALA 139 Cb -0.16 -2.04 -0.15 0.00 0.00 0.00 0.00 23.12 20.77 3gni s ALA 139 CO 0.10 -1.39 1.21 -0.25 0.00 0.00 0.00 175.76 175.44 3gni n ASP 140 N 4.61 1.75 0.00 0.00 8.00 -1.26 -1.49 116.55 128.16 3gni n ASP 140 Ca -0.10 1.15 0.00 0.00 0.71 0.00 0.00 54.79 56.54 3gni n ASP 140 Cb 0.43 -1.29 0.00 0.00 -0.02 0.00 0.00 41.12 40.24 3gni n ASP 140 CO 0.00 0.00 0.00 -3.20 -0.39 0.00 0.00 177.20 173.61 3gni n ASN 141 N 1.94 0.00 -4.51 -2.24 4.05 -1.26 -5.02 115.26 108.22 3gni n ASN 141 Ca 0.13 0.00 -0.33 0.00 0.45 0.00 0.00 54.58 54.83 3gni n ASN 141 Cb 0.28 0.00 -0.12 0.00 1.23 0.00 0.00 39.78 41.16 3gni n ASN 141 CO 0.00 0.00 0.00 -1.61 -3.05 0.00 0.00 177.26 172.60 3gni s GLU 142 N -0.28 2.83 -0.16 1.20 2.02 -0.56 -0.71 118.70 123.03 3gni s GLU 142 Ca 0.00 -0.61 -0.29 0.00 0.02 0.00 0.00 54.97 54.08 3gni s GLU 142 Cb 0.00 -2.55 -0.00 0.00 0.10 0.00 0.00 34.13 31.68 3gni s GLU 142 CO 0.00 0.56 1.04 -1.17 0.02 0.00 0.00 175.26 175.71 3gni s LEU 143 N -0.54 4.18 -0.16 1.80 2.96 -0.31 -1.10 118.68 125.51 3gni s LEU 143 Ca 0.08 1.48 -0.04 0.00 -0.22 0.00 0.00 54.13 55.43 3gni s LEU 143 Cb -0.12 -3.55 -0.03 0.00 0.50 0.00 0.00 46.19 43.00 3gni s LEU 143 CO 0.02 -0.57 -0.04 0.26 -1.32 0.00 0.00 176.35 174.70 3gni s TRP 144 N 2.64 3.02 -0.11 5.38 0.52 0.75 -2.14 118.94 129.00 3gni s TRP 144 Ca 0.47 -0.32 0.00 0.00 0.02 0.00 0.00 56.10 56.27 3gni s TRP 144 Cb -0.17 -1.96 0.02 0.00 -1.15 0.00 0.00 33.47 30.21 3gni s TRP 144 CO 0.12 -0.06 -0.10 0.08 0.02 0.00 0.00 176.95 177.01 3gni s VAL 145 N 0.40 1.18 -0.18 4.03 1.01 -0.28 -1.40 120.40 125.17 3gni s VAL 145 Ca -0.04 -0.42 -0.04 0.00 0.00 0.00 0.00 61.98 61.48 3gni s VAL 145 Cb -0.14 -1.14 -0.03 0.00 0.00 0.00 0.00 36.38 35.07 3gni s VAL 145 CO 0.03 0.39 -0.02 -0.69 0.00 0.00 0.00 175.10 174.81 3gni s VAL 146 N 1.38 3.95 0.27 2.92 1.01 -0.15 0.40 120.40 130.18 3gni s VAL 146 Ca -0.00 -0.33 0.05 0.00 0.00 0.00 0.00 61.98 61.70 3gni s VAL 146 Cb -0.13 -2.75 -0.06 0.00 0.00 0.00 0.00 36.38 33.43 3gni s VAL 146 CO -0.06 0.46 -0.02 0.42 0.00 0.00 0.00 175.10 175.91 3gni s THR 147 N 0.63 1.37 0.51 3.92 -4.23 -0.27 -0.30 115.64 117.26 3gni s THR 147 Ca -0.01 -2.07 -0.22 0.00 -1.18 0.00 0.00 61.69 58.20 3gni s THR 147 Cb -0.14 -2.47 -0.06 0.00 1.34 0.00 0.00 72.50 71.17 3gni s THR 147 CO 0.02 -0.26 1.25 -0.55 -0.54 0.00 0.00 174.62 174.54 3gni s SER 148 N -3.40 5.69 -0.16 3.99 0.15 -1.24 -0.93 113.70 117.80 3gni s SER 148 Ca 0.30 2.52 -0.22 0.00 0.70 0.00 0.00 55.95 59.25 3gni s SER 148 Cb 0.05 -2.62 -0.03 0.00 -1.71 0.00 0.00 66.02 61.72 3gni s SER 148 CO 0.11 -1.26 0.68 0.12 1.20 0.00 0.00 173.24 174.09 3gni s PHE 149 N -1.44 3.43 -0.44 3.44 5.36 -1.26 -4.49 117.98 122.59 3gni s PHE 149 Ca 0.68 1.06 -0.14 0.00 -0.96 0.00 0.00 56.93 57.57 3gni s PHE 149 Cb -0.34 -2.83 0.05 0.00 -0.34 0.00 0.00 43.02 39.56 3gni s PHE 149 CO 0.40 -0.11 0.33 -1.64 -1.46 0.00 0.00 175.22 172.74 3gni s MET 150 N 1.65 2.90 0.47 10.12 -1.94 -1.26 -4.81 119.30 126.43 3gni s MET 150 Ca 0.32 -1.25 0.32 0.00 -1.71 0.00 0.00 55.69 53.38 3gni s MET 150 Cb -0.16 -3.99 1.44 0.00 2.01 0.00 0.00 34.83 34.13 3gni s MET 150 CO 0.12 -0.90 1.95 0.00 -0.01 0.00 0.00 175.02 176.18 3gni h ALA 151 N 8.63 1.00 -0.42 3.03 0.00 -1.83 0.54 119.26 130.21 3gni h ALA 151 Ca -0.27 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.64 3gni h ALA 151 Cb 1.11 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.90 3gni h ALA 151 CO 0.80 0.00 0.00 0.66 0.00 0.00 0.00 179.25 180.71 3gni n TYR 152 N -2.79 0.55 -4.93 0.00 4.02 -0.43 -4.40 117.16 109.19 3gni n TYR 152 Ca 0.00 -0.27 0.00 0.00 -0.01 0.00 0.00 57.90 57.62 3gni n TYR 152 Cb 0.22 0.00 0.00 0.00 -0.02 0.00 0.00 39.34 39.54 3gni n TYR 152 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 176.86 176.26 3gni n GLY 153 N 1.39 0.89 3.93 2.72 0.00 0.18 -4.60 105.19 109.69 3gni n GLY 153 Ca 0.19 -0.71 -0.25 0.00 0.00 0.00 0.00 46.02 45.24 3gni n GLY 153 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 3gni s SER 154 N -4.00 6.14 0.44 1.61 1.04 -1.26 -1.23 113.70 116.44 3gni s SER 154 Ca 0.00 0.66 0.18 0.00 0.48 0.00 0.00 55.95 57.26 3gni s SER 154 Cb 0.00 -2.02 1.10 0.00 0.10 0.00 0.00 66.02 65.20 3gni s SER 154 CO 0.00 -0.56 1.90 0.00 0.98 0.00 0.00 173.24 175.57 3gni h ALA 155 N 0.37 2.20 -0.22 5.32 0.00 -0.93 -1.39 119.26 124.61 3gni h ALA 155 Ca -0.48 0.00 -0.08 0.00 0.00 0.00 0.00 54.91 54.36 3gni h ALA 155 Cb 1.22 -0.04 -0.00 0.00 0.00 0.00 0.00 17.79 18.97 3gni h ALA 155 CO 0.61 -0.42 -0.17 -0.22 0.00 0.00 0.00 179.25 179.05 3gni h LYS 156 N 0.37 0.50 -0.64 0.00 1.63 -1.82 -1.93 116.57 114.68 3gni h LYS 156 Ca 0.40 -0.25 0.13 0.00 -0.85 0.00 0.00 60.65 60.08 3gni h LYS 156 Cb 0.99 -0.00 -0.09 0.00 -0.60 0.00 0.00 32.23 32.53 3gni h LYS 156 CO -0.12 0.81 0.14 -0.44 -3.45 0.00 0.00 179.45 176.39 3gni h ASP 157 N 0.19 -0.00 -0.40 4.20 3.32 -1.65 -0.59 116.42 121.49 3gni h ASP 157 Ca 0.04 0.12 -0.03 0.00 0.02 0.00 0.00 57.03 57.19 3gni h ASP 157 Cb 0.70 0.17 -0.02 0.00 0.22 0.00 0.00 39.33 40.40 3gni h ASP 157 CO 0.04 -0.00 0.15 -0.07 -1.72 0.00 0.00 179.24 177.64 3gni h LEU 158 N 0.26 0.55 -0.30 1.55 3.38 -1.23 -0.21 115.31 119.31 3gni h LEU 158 Ca 0.34 -0.18 0.05 0.00 0.09 0.00 0.00 57.88 58.19 3gni h LEU 158 Cb 0.53 -0.14 -0.05 0.00 0.09 0.00 0.00 40.66 41.09 3gni h LEU 158 CO -0.44 0.58 -0.01 0.40 0.09 0.00 0.00 178.44 179.06 3gni h ILE 159 N 0.50 0.77 -0.08 1.22 2.04 -0.89 -2.21 117.51 118.84 3gni h ILE 159 Ca 0.13 -0.03 -0.10 0.00 1.00 0.00 0.00 64.86 65.86 3gni h ILE 159 Cb 0.21 0.68 -0.01 0.00 -0.74 0.00 0.00 36.82 36.96 3gni h ILE 159 CO -0.01 0.01 -0.40 0.00 0.00 0.00 0.00 178.15 177.75 3gni h THR 161 N 0.16 0.33 0.00 0.00 1.03 -0.90 -3.46 112.91 110.07 3gni h THR 161 Ca 0.01 -1.53 0.00 0.00 -0.01 0.00 0.00 66.41 64.89 3gni h THR 161 Cb 0.78 2.00 0.00 0.00 -1.07 0.00 0.00 68.15 69.86 3gni h THR 161 CO 0.06 0.19 0.00 1.57 -0.01 0.00 0.00 175.52 177.33 3gni n HIS 162 N -2.99 -3.33 -1.13 0.00 -0.00 -0.94 -4.98 115.22 101.85 3gni n HIS 162 Ca -0.00 0.78 -0.17 0.00 -0.00 0.00 0.00 57.72 58.33 3gni n HIS 162 Cb 0.65 2.12 -0.10 0.00 -0.00 0.00 0.00 29.99 32.67 3gni n HIS 162 CO 0.00 0.00 0.00 1.19 -0.00 0.00 0.00 176.34 177.53 3gni n PHE 163 N -3.02 0.73 0.25 1.57 3.01 -0.88 -4.61 117.46 114.51 3gni n PHE 163 Ca 0.00 -1.66 0.13 0.00 1.01 0.00 0.00 57.45 56.92 3gni n PHE 163 Cb 0.00 -1.37 0.77 0.00 -0.01 0.00 0.00 39.48 38.88 3gni n PHE 163 CO 0.00 0.00 0.00 0.52 1.01 0.00 0.00 176.76 178.29 3gni h MET 164 N 2.70 0.00 -0.35 -1.08 2.86 -1.28 0.95 114.93 118.72 3gni h MET 164 Ca 0.26 0.00 0.00 0.00 -2.06 0.00 0.00 59.70 57.90 3gni h MET 164 Cb 1.12 0.00 0.00 0.00 0.06 0.00 0.00 31.60 32.78 3gni h MET 164 CO 0.50 0.00 0.00 -3.47 1.06 0.00 0.00 176.91 175.00 3gni n ASP 165 N -4.17 2.44 0.00 1.22 -0.08 -1.26 -4.49 116.55 110.21 3gni n ASP 165 Ca -0.02 -1.90 0.00 0.00 -1.51 0.00 0.00 54.79 51.37 3gni n ASP 165 Cb 0.15 -0.23 0.00 0.00 2.34 0.00 0.00 41.12 43.38 3gni n ASP 165 CO 0.00 0.00 0.00 0.61 0.12 0.00 0.00 177.20 177.93 3gni n GLY 166 N 1.27 2.37 3.92 0.27 0.00 0.33 -4.36 105.19 108.98 3gni n GLY 166 Ca 0.17 -1.91 -0.26 0.00 0.00 0.00 0.00 46.02 44.02 3gni n GLY 166 CO 0.00 0.00 0.00 1.06 0.00 0.00 0.00 173.32 174.38 3gni s MET 167 N -3.02 3.55 0.72 1.61 -1.94 0.37 -4.84 119.30 115.75 3gni s MET 167 Ca 0.00 -0.10 -0.15 0.00 -1.71 0.00 0.00 55.69 53.73 3gni s MET 167 Cb 0.00 -2.58 0.03 0.00 2.01 0.00 0.00 34.83 34.29 3gni s MET 167 CO 0.00 0.08 1.21 0.54 -0.01 0.00 0.00 175.02 176.84 3gni s ASN 168 N -3.79 4.25 0.21 3.03 2.20 -1.26 -4.70 114.94 114.89 3gni s ASN 168 Ca 0.43 2.36 -0.05 0.00 -0.94 0.00 0.00 52.86 54.67 3gni s ASN 168 Cb -0.10 -2.59 0.19 0.00 -2.00 0.00 0.00 41.25 36.75 3gni s ASN 168 CO 0.36 -2.22 1.64 -0.08 -2.94 0.00 0.00 177.10 173.86 3gni h GLU 169 N -0.22 0.81 -0.68 3.55 4.81 -1.97 -2.82 114.58 118.06 3gni h GLU 169 Ca -0.48 -0.31 0.01 0.00 -0.13 0.00 0.00 59.36 58.45 3gni h GLU 169 Cb 1.30 -0.05 -0.03 0.00 0.63 0.00 0.00 28.75 30.60 3gni h GLU 169 CO 0.50 0.93 0.45 1.25 -0.73 0.00 0.00 179.01 181.41 3gni h LEU 170 N 0.72 0.78 -0.55 1.64 6.46 -1.98 -1.93 115.31 120.44 3gni h LEU 170 Ca 0.11 -0.02 0.06 0.00 -0.12 0.00 0.00 57.88 57.90 3gni h LEU 170 Cb 0.69 -0.19 -0.05 0.00 -0.73 0.00 0.00 40.66 40.38 3gni h LEU 170 CO 0.05 0.56 0.27 0.00 -0.62 0.00 0.00 178.44 178.70 3gni h ALA 171 N 1.25 0.71 -0.72 1.25 0.00 -1.90 -2.31 119.26 117.55 3gni h ALA 171 Ca 0.25 0.03 -0.02 0.00 0.00 0.00 0.00 54.91 55.17 3gni h ALA 171 Cb -0.11 -0.06 -0.03 0.00 0.00 0.00 0.00 17.79 17.59 3gni h ALA 171 CO -0.05 -0.09 0.37 0.82 0.00 0.00 0.00 179.25 180.30 3gni h ILE 172 N 0.51 1.22 -0.24 0.00 2.04 -1.19 -0.61 117.51 119.25 3gni h ILE 172 Ca 0.25 -0.58 -0.02 0.00 1.00 0.00 0.00 64.86 65.51 3gni h ILE 172 Cb 0.18 0.27 -0.01 0.00 -0.74 0.00 0.00 36.82 36.53 3gni h ILE 172 CO -0.19 0.25 0.07 0.00 0.00 0.00 0.00 178.15 178.29 3gni h ALA 173 N 1.41 0.31 -0.53 1.87 0.00 -0.97 0.97 119.26 122.31 3gni h ALA 173 Ca 0.25 -0.14 -0.00 0.00 0.00 0.00 0.00 54.91 55.02 3gni h ALA 173 Cb 0.06 -0.09 -0.03 0.00 0.00 0.00 0.00 17.79 17.73 3gni h ALA 173 CO -0.04 -0.06 0.32 1.88 0.00 0.00 0.00 179.25 181.35 3gni h TYR 174 N 0.21 0.69 -0.06 0.00 0.05 -1.13 -1.64 116.97 115.09 3gni h TYR 174 Ca 0.08 -0.00 -0.01 0.00 0.05 0.00 0.00 58.73 58.85 3gni h TYR 174 Cb 0.24 -0.23 -0.00 0.00 1.01 0.00 0.00 36.73 37.75 3gni h TYR 174 CO 0.00 0.48 0.01 0.82 -1.05 0.00 0.00 178.16 178.42 3gni h ILE 175 N 0.71 1.22 0.00 -2.88 2.04 -1.01 -3.08 117.51 114.51 3gni h ILE 175 Ca 0.19 -0.67 -0.04 0.00 1.00 0.00 0.00 64.86 65.34 3gni h ILE 175 Cb -0.02 1.55 -0.01 0.00 -0.74 0.00 0.00 36.82 37.61 3gni h ILE 175 CO -0.04 0.19 -0.17 -0.07 0.00 0.00 0.00 178.15 178.06 3gni h LEU 176 N -0.14 0.00 -0.31 1.44 3.38 -0.78 -2.75 115.31 116.15 3gni h LEU 176 Ca 0.02 0.00 -0.03 0.00 0.09 0.00 0.00 57.88 57.96 3gni h LEU 176 Cb 0.29 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 41.02 3gni h LEU 176 CO 0.00 0.17 0.08 -0.61 0.09 0.00 0.00 178.44 178.16 3gni h GLN 177 N 0.00 0.49 -0.64 1.13 4.15 -1.31 -1.59 115.11 117.35 3gni h GLN 177 Ca -0.00 -0.12 -0.01 0.00 0.77 0.00 0.00 58.65 59.29 3gni h GLN 177 Cb 0.84 -0.06 -0.03 0.00 0.21 0.00 0.00 27.48 28.44 3gni h GLN 177 CO 0.02 0.56 0.36 0.78 -1.93 0.00 0.00 178.83 178.62 3gni h GLY 178 N 0.34 0.95 1.02 2.39 0.00 -1.42 -0.82 103.07 105.53 3gni h GLY 178 Ca 0.10 -0.42 -0.01 0.00 0.00 0.00 0.00 47.33 47.00 3gni h GLY 178 CO 0.00 0.41 0.56 -2.08 0.00 0.00 0.00 176.54 175.43 3gni h VAL 179 N 0.87 1.26 -0.29 4.60 2.07 -1.50 -2.45 116.25 120.81 3gni h VAL 179 Ca 0.23 -0.58 -0.18 0.00 0.82 0.00 0.00 66.70 66.99 3gni h VAL 179 Cb 0.03 -0.07 0.00 0.00 -1.52 0.00 0.00 31.29 29.73 3gni h VAL 179 CO -0.04 0.28 -0.50 -0.07 0.02 0.00 0.00 177.57 177.26 3gni h LEU 180 N 1.31 0.94 -0.72 2.57 4.07 -0.85 -1.04 115.31 121.59 3gni h LEU 180 Ca 0.34 -0.53 0.05 0.00 0.08 0.00 0.00 57.88 57.82 3gni h LEU 180 Cb -0.04 -0.27 -0.05 0.00 1.08 0.00 0.00 40.66 41.37 3gni h LEU 180 CO -0.06 1.29 0.43 0.11 -1.08 0.00 0.00 178.44 179.13 3gni h LYS 181 N 0.63 0.78 -0.17 1.13 1.57 -1.06 -0.70 116.57 118.74 3gni h LYS 181 Ca 0.02 -0.05 -0.01 0.00 -1.87 0.00 0.00 60.65 58.74 3gni h LYS 181 Cb 1.11 -0.18 -0.01 0.00 0.08 0.00 0.00 32.23 33.24 3gni h LYS 181 CO 0.11 0.52 0.07 0.00 -0.57 0.00 0.00 179.45 179.58 3gni h ALA 182 N 1.34 0.23 -0.47 3.86 0.00 -1.30 -2.69 119.26 120.23 3gni h ALA 182 Ca 0.31 -0.10 -0.03 0.00 0.00 0.00 0.00 54.91 55.09 3gni h ALA 182 Cb 0.12 -0.07 -0.02 0.00 0.00 0.00 0.00 17.79 17.82 3gni h ALA 182 CO -0.15 -0.19 0.19 -0.07 0.00 0.00 0.00 179.25 179.03 3gni h LEU 183 N 0.13 0.61 0.01 0.00 3.38 -0.98 -0.26 115.31 118.20 3gni h LEU 183 Ca 0.06 -0.07 -0.00 0.00 0.09 0.00 0.00 57.88 57.96 3gni h LEU 183 Cb 0.16 -0.16 0.00 0.00 0.09 0.00 0.00 40.66 40.76 3gni h LEU 183 CO -0.01 0.55 -0.01 -0.78 0.09 0.00 0.00 178.44 178.29 3gni h ASP 184 N 0.67 -0.02 0.43 -0.43 3.58 -1.00 0.19 116.42 119.85 3gni h ASP 184 Ca 0.16 -0.03 -0.02 0.00 0.42 0.00 0.00 57.03 57.56 3gni h ASP 184 Cb 0.14 0.00 0.00 0.00 1.72 0.00 0.00 39.33 41.19 3gni h ASP 184 CO -0.02 0.02 -0.21 0.22 -2.88 0.00 0.00 179.24 176.37 3gni h TYR 185 N -0.05 -0.54 -0.86 0.28 3.20 -1.16 -0.12 116.97 117.72 3gni h TYR 185 Ca -0.00 -0.01 0.15 0.00 3.14 0.00 0.00 58.73 62.01 3gni h TYR 185 Cb 0.04 0.18 -0.10 0.00 1.54 0.00 0.00 36.73 38.39 3gni h TYR 185 CO -0.07 -0.31 0.45 0.82 -1.64 0.00 0.00 178.16 177.41 3gni h ILE 186 N -0.64 0.71 -0.28 1.81 2.04 -1.02 -1.88 117.51 118.26 3gni h ILE 186 Ca -0.06 -0.21 -0.16 0.00 1.00 0.00 0.00 64.86 65.43 3gni h ILE 186 Cb 0.48 0.04 -0.01 0.00 -0.74 0.00 0.00 36.82 36.59 3gni h ILE 186 CO 0.10 0.11 -0.47 0.45 0.00 0.00 0.00 178.15 178.34 3gni h HIS 187 N 0.62 0.90 0.00 1.37 3.86 -0.40 -2.09 115.15 119.41 3gni h HIS 187 Ca 0.48 -0.29 -0.03 0.00 -1.16 0.00 0.00 60.37 59.36 3gni h HIS 187 Cb 0.69 -0.18 -0.00 0.00 1.06 0.00 0.00 27.41 28.97 3gni h HIS 187 CO -0.09 1.06 -0.16 0.45 0.86 0.00 0.00 177.93 180.06 3gni h HIS 188 N 0.59 0.00 0.00 2.45 3.86 -0.57 -1.98 115.15 119.50 3gni h HIS 188 Ca 0.03 0.00 0.00 0.00 -1.16 0.00 0.00 60.37 59.24 3gni h HIS 188 Cb 1.03 0.00 0.00 0.00 1.06 0.00 0.00 27.41 29.50 3gni h HIS 188 CO 0.05 0.16 0.00 -1.33 0.86 0.00 0.00 177.93 177.67 3gni n MET 189 N -4.11 0.87 -2.11 2.45 2.00 -0.75 -4.90 117.12 110.58 3gni n MET 189 Ca -0.02 0.00 -0.01 0.00 0.00 0.00 0.00 57.70 57.67 3gni n MET 189 Cb 0.23 -1.50 0.00 0.00 0.00 0.00 0.00 33.22 31.95 3gni n MET 189 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 175.97 176.38 3gni n GLY 190 N 0.92 0.43 3.43 3.03 0.00 -0.74 -5.01 105.19 107.25 3gni n GLY 190 Ca 0.21 -0.82 -0.25 0.00 0.00 0.00 0.00 46.02 45.16 3gni n GLY 190 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 3gni s TYR 191 N -2.21 2.26 -0.06 1.61 2.02 -0.80 -2.16 117.35 118.00 3gni s TYR 191 Ca 0.00 -0.36 0.02 0.00 -0.37 0.00 0.00 57.07 56.37 3gni s TYR 191 Cb -0.00 -1.07 -0.03 0.00 -0.40 0.00 0.00 41.96 40.46 3gni s TYR 191 CO 0.01 0.56 -0.11 0.08 -1.57 0.00 0.00 175.55 174.52 3gni s VAL 192 N -1.99 3.38 -0.02 0.71 1.01 -0.20 -3.88 120.40 119.41 3gni s VAL 192 Ca 0.24 -0.60 -0.10 0.00 0.00 0.00 0.00 61.98 61.51 3gni s VAL 192 Cb -0.07 -2.35 -0.06 0.00 0.00 0.00 0.00 36.38 33.90 3gni s VAL 192 CO 0.11 0.59 0.56 -0.74 0.00 0.00 0.00 175.10 175.62 3gni h HIS 193 N 5.29 -0.34 0.00 5.22 2.76 -1.88 0.06 115.15 126.27 3gni h HIS 193 Ca -0.48 -0.01 0.00 0.00 -2.20 0.00 0.00 60.37 57.69 3gni h HIS 193 Cb 1.16 0.11 0.00 0.00 1.55 0.00 0.00 27.41 30.23 3gni h HIS 193 CO 0.53 -0.21 0.00 0.54 -1.30 0.00 0.00 177.93 177.49 3gni n ARG 194 N -4.05 0.00 -2.41 5.26 1.74 -1.26 -2.51 116.66 113.42 3gni n ARG 194 Ca -0.05 0.00 -0.01 0.00 -0.77 0.00 0.00 57.85 57.02 3gni n ARG 194 Cb 0.14 -2.25 0.06 0.00 -1.02 0.00 0.00 32.46 29.39 3gni n ARG 194 CO 0.00 0.00 0.00 -1.13 -1.52 0.00 0.00 177.63 174.98 3gni n SER 195 N 0.00 0.04 -4.64 0.55 3.41 -1.26 -5.01 113.62 106.72 3gni n SER 195 Ca 0.00 -2.09 -0.43 0.00 -0.26 0.00 0.00 58.87 56.09 3gni n SER 195 Cb 0.00 0.08 -0.03 0.00 -0.26 0.00 0.00 64.21 64.00 3gni n SER 195 CO 0.00 0.00 0.00 -0.69 -0.16 0.00 0.00 175.04 174.19 3gni s VAL 196 N -1.43 3.48 0.23 -3.33 1.01 -1.26 -4.77 120.40 114.34 3gni s VAL 196 Ca 0.18 0.56 -0.22 0.00 0.00 0.00 0.00 61.98 62.50 3gni s VAL 196 Cb 0.34 -3.46 0.04 0.00 0.00 0.00 0.00 36.38 33.30 3gni s VAL 196 CO -0.08 -0.16 0.71 -1.59 0.00 0.00 0.00 175.10 173.98 3gni s LYS 197 N 4.69 1.60 0.39 2.72 -2.85 -1.26 -4.73 119.74 120.29 3gni s LYS 197 Ca 0.78 -0.82 0.06 0.00 -1.00 0.00 0.00 55.97 54.99 3gni s LYS 197 Cb -0.31 0.58 0.78 0.00 -2.06 0.00 0.00 37.83 36.83 3gni s LYS 197 CO 0.32 -0.73 2.02 0.00 0.10 0.00 0.00 175.35 177.06 3gni h ALA 198 N 2.00 1.62 0.00 0.59 0.00 -1.92 -1.23 119.26 120.32 3gni h ALA 198 Ca -0.23 -0.06 0.00 0.00 0.00 0.00 0.00 54.91 54.62 3gni h ALA 198 Cb 1.26 -0.18 0.00 0.00 0.00 0.00 0.00 17.79 18.87 3gni h ALA 198 CO 0.27 0.32 0.00 -1.13 0.00 0.00 0.00 179.25 178.71 3gni n SER 199 N -4.44 0.00 -1.51 0.00 3.41 -1.26 -2.54 113.62 107.28 3gni n SER 199 Ca 0.03 0.32 -0.05 0.00 -0.26 0.00 0.00 58.87 58.91 3gni n SER 199 Cb 0.09 -0.43 0.24 0.00 -0.26 0.00 0.00 64.21 63.85 3gni n SER 199 CO 0.00 0.00 0.00 1.41 -0.16 0.00 0.00 175.04 176.29 3gni n HIS 200 N -1.43 1.77 -3.92 7.33 8.25 -0.47 -4.88 115.22 121.88 3gni n HIS 200 Ca 0.07 -1.35 -0.28 0.00 -0.26 0.00 0.00 57.72 55.91 3gni n HIS 200 Cb 0.24 -0.58 -0.17 0.00 1.12 0.00 0.00 29.99 30.60 3gni n HIS 200 CO 0.00 0.00 0.00 0.42 0.64 0.00 0.00 176.34 177.40 3gni s ILE 201 N -3.08 1.12 0.03 1.59 1.01 -1.05 -0.87 121.20 119.94 3gni s ILE 201 Ca 0.49 -0.40 0.06 0.00 0.00 0.00 0.00 60.65 60.81 3gni s ILE 201 Cb 0.41 -1.15 -0.03 0.00 0.01 0.00 0.00 42.46 41.70 3gni s ILE 201 CO 0.08 0.34 -0.17 -0.76 0.00 0.00 0.00 174.94 174.43 3gni s LEU 202 N 1.66 2.67 -0.11 2.97 1.43 0.04 -1.22 118.68 126.12 3gni s LEU 202 Ca 0.04 -0.38 0.01 0.00 -1.03 0.00 0.00 54.13 52.77 3gni s LEU 202 Cb -0.13 -1.55 0.02 0.00 0.03 0.00 0.00 46.19 44.55 3gni s LEU 202 CO -0.08 0.26 -0.13 -0.63 0.23 0.00 0.00 176.35 176.00 3gni s ILE 203 N -0.92 1.37 0.76 -0.59 1.01 -0.36 -1.13 121.20 121.34 3gni s ILE 203 Ca 0.15 -0.55 -0.08 0.00 0.00 0.00 0.00 60.65 60.16 3gni s ILE 203 Cb -0.11 -1.28 0.09 0.00 0.01 0.00 0.00 42.46 41.17 3gni s ILE 203 CO 0.05 0.42 1.08 -0.94 0.00 0.00 0.00 174.94 175.55 3gni s SER 204 N 1.14 4.50 0.46 3.58 1.04 -0.72 -1.31 113.70 122.39 3gni s SER 204 Ca -0.04 0.41 0.24 0.00 0.48 0.00 0.00 55.95 57.04 3gni s SER 204 Cb -0.14 -0.93 1.24 0.00 0.10 0.00 0.00 66.02 66.29 3gni s SER 204 CO -0.03 -1.82 1.83 0.58 0.98 0.00 0.00 173.24 174.78 3gni h VAL 205 N -0.80 0.56 -0.40 5.02 2.07 -1.91 -0.77 116.25 120.03 3gni h VAL 205 Ca -0.44 -0.09 0.00 0.00 0.82 0.00 0.00 66.70 66.99 3gni h VAL 205 Cb 1.30 0.28 0.00 0.00 -1.52 0.00 0.00 31.29 31.36 3gni h VAL 205 CO 0.57 0.05 0.00 -0.90 0.02 0.00 0.00 177.57 177.30 3gni n ASP 206 N -4.45 4.66 0.00 0.57 5.75 -1.26 -4.97 116.55 116.85 3gni n ASP 206 Ca 0.22 -2.96 0.00 0.00 -0.01 0.00 0.00 54.79 52.04 3gni n ASP 206 Cb 0.89 -0.60 0.00 0.00 -1.03 0.00 0.00 41.12 40.38 3gni n ASP 206 CO 0.00 0.00 0.00 0.61 -0.11 0.00 0.00 177.20 177.70 3gni n GLY 207 N -0.01 0.42 3.77 6.12 0.00 -0.29 -4.39 105.19 110.82 3gni n GLY 207 Ca 0.24 -1.02 -0.39 0.00 0.00 0.00 0.00 46.02 44.85 3gni n GLY 207 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3gni s LYS 208 N -1.95 4.58 -0.14 1.61 1.02 -1.26 -4.39 119.74 119.22 3gni s LYS 208 Ca 0.00 1.17 -0.05 0.00 0.02 0.00 0.00 55.97 57.11 3gni s LYS 208 Cb 0.00 -3.27 -0.04 0.00 -0.52 0.00 0.00 37.83 34.00 3gni s LYS 208 CO 0.00 0.55 0.04 0.54 -0.92 0.00 0.00 175.35 175.56 3gni s VAL 209 N -1.08 4.65 -0.06 3.17 0.11 -1.26 -1.76 120.40 124.17 3gni s VAL 209 Ca 0.36 -0.10 0.04 0.00 -2.93 0.00 0.00 61.98 59.35 3gni s VAL 209 Cb -0.23 -3.04 0.00 0.00 -1.53 0.00 0.00 36.38 31.58 3gni s VAL 209 CO 0.26 0.53 -0.18 -0.31 -3.33 0.00 0.00 175.10 172.08 3gni s TYR 210 N -0.24 1.86 -0.02 1.54 2.02 -0.28 -4.35 117.35 117.87 3gni s TYR 210 Ca 0.07 -0.62 -0.30 0.00 -0.37 0.00 0.00 57.07 55.86 3gni s TYR 210 Cb -0.12 -1.27 -0.03 0.00 -0.40 0.00 0.00 41.96 40.14 3gni s TYR 210 CO 0.02 -0.24 0.97 -1.17 -1.57 0.00 0.00 175.55 173.56 3gni s LEU 211 N 0.23 4.34 0.00 -1.29 0.20 0.16 -0.78 118.68 121.54 3gni s LEU 211 Ca -0.09 1.62 0.00 0.00 0.69 0.00 0.00 54.13 56.34 3gni s LEU 211 Cb -0.14 -3.55 0.00 0.00 -0.43 0.00 0.00 46.19 42.07 3gni s LEU 211 CO 0.04 -0.29 0.00 -1.54 -0.29 0.00 0.00 176.35 174.27 3gni n SER 212 N 4.12 0.51 -0.62 3.68 3.41 -0.05 -2.50 113.62 122.16 3gni n SER 212 Ca 0.06 0.00 -0.05 0.00 -0.26 0.00 0.00 58.87 58.62 3gni n SER 212 Cb 0.51 0.00 -0.00 0.00 -0.26 0.00 0.00 64.21 64.45 3gni n SER 212 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 3gni n GLY 213 N 5.00 0.17 0.17 5.00 0.00 -1.26 -4.92 105.19 109.35 3gni n GLY 213 Ca 0.00 -0.66 0.13 0.00 0.00 0.00 0.00 46.02 45.49 3gni n GLY 213 CO 0.00 0.00 0.00 1.41 0.00 0.00 0.00 173.32 174.73 3gni h LEU 214 N 0.00 0.00 -1.52 0.99 3.38 -1.93 -3.13 115.31 113.09 3gni h LEU 214 Ca -0.13 0.00 0.13 0.00 0.09 0.00 0.00 57.88 57.97 3gni h LEU 214 Cb 1.06 0.00 -0.05 0.00 0.09 0.00 0.00 40.66 41.76 3gni h LEU 214 CO 0.15 0.00 0.49 -0.09 0.09 0.00 0.00 178.44 179.09 3gni h ARG 215 N 0.00 0.48 -0.00 1.13 2.43 -1.91 -2.07 114.38 114.42 3gni h ARG 215 Ca 0.00 -0.03 0.00 0.00 -0.81 0.00 0.00 59.98 59.14 3gni h ARG 215 Cb 0.28 -0.11 0.00 0.00 -0.42 0.00 0.00 29.97 29.72 3gni h ARG 215 CO 0.00 0.32 -0.10 -1.13 -1.51 0.00 0.00 179.97 177.54 3gni n SER 216 N -4.49 0.55 -4.75 -3.80 3.41 -1.18 -4.74 113.62 98.61 3gni n SER 216 Ca 0.14 -0.69 -0.41 0.00 -0.26 0.00 0.00 58.87 57.64 3gni n SER 216 Cb 0.46 -0.05 -0.02 0.00 -0.26 0.00 0.00 64.21 64.34 3gni n SER 216 CO 0.00 0.00 0.00 0.20 -0.16 0.00 0.00 175.04 175.08 3gni s ASN 217 N -2.41 6.58 -0.06 4.04 -0.87 -0.78 -4.53 114.94 116.91 3gni s ASN 217 Ca 0.31 2.77 0.01 0.00 -1.57 0.00 0.00 52.86 54.38 3gni s ASN 217 Cb 0.20 -2.64 0.02 0.00 -0.02 0.00 0.00 41.25 38.82 3gni s ASN 217 CO 0.46 -0.73 -0.06 -0.22 -2.57 0.00 0.00 177.10 173.98 3gni s LEU 218 N -0.89 1.25 0.18 0.60 1.98 0.01 -4.98 118.68 116.83 3gni s LEU 218 Ca 0.57 -0.19 -0.30 0.00 -2.89 0.00 0.00 54.13 51.33 3gni s LEU 218 Cb -0.43 -0.59 -0.08 0.00 0.66 0.00 0.00 46.19 45.75 3gni s LEU 218 CO 0.49 -0.07 1.01 -0.55 -1.89 0.00 0.00 176.35 175.34 3gni s SER 219 N 1.18 7.45 0.00 3.68 0.15 -1.26 -1.03 113.70 123.86 3gni s SER 219 Ca -0.06 1.97 0.20 0.00 0.70 0.00 0.00 55.95 58.76 3gni s SER 219 Cb -0.14 -2.60 0.55 0.00 -1.71 0.00 0.00 66.02 62.11 3gni s SER 219 CO -0.01 -0.06 1.46 1.15 1.20 0.00 0.00 173.24 176.98 3gni n MET 220 N 2.15 2.43 -2.82 5.44 0.00 -0.92 -4.87 117.12 118.54 3gni n MET 220 Ca 0.01 -2.21 -0.43 0.00 0.00 0.00 0.00 57.70 55.07 3gni n MET 220 Cb 0.47 -1.49 -0.03 0.00 0.00 0.00 0.00 33.22 32.17 3gni n MET 220 CO 0.00 0.00 0.00 0.42 0.00 0.00 0.00 175.97 176.39 3gni s ILE 221 N -1.27 4.30 -0.13 3.17 1.01 -1.26 -0.14 121.20 126.87 3gni s ILE 221 Ca 0.41 -0.50 -0.03 0.00 0.00 0.00 0.00 60.65 60.53 3gni s ILE 221 Cb 0.22 -4.75 -0.03 0.00 0.01 0.00 0.00 42.46 37.91 3gni s ILE 221 CO 0.29 -1.54 -0.01 -0.55 0.00 0.00 0.00 174.94 173.13 3gni s SER 222 N 3.76 5.06 -1.57 3.58 0.15 0.31 -4.64 113.70 120.35 3gni s SER 222 Ca 0.27 0.00 -0.03 0.00 0.70 0.00 0.00 55.95 56.89 3gni s SER 222 Cb -0.13 -1.65 0.01 0.00 -1.71 0.00 0.00 66.02 62.54 3gni s SER 222 CO 0.06 0.26 0.30 1.57 1.20 0.00 0.00 173.24 176.63 3gni n HIS 223 N 2.95 -1.53 -0.78 3.44 -0.00 -1.26 -1.50 115.22 116.54 3gni n HIS 223 Ca -0.18 0.26 0.00 0.00 -0.00 0.00 0.00 57.72 57.80 3gni n HIS 223 Cb 0.53 -3.99 0.00 0.00 -0.00 0.00 0.00 29.99 26.53 3gni n HIS 223 CO 0.00 0.00 0.00 0.41 -0.00 0.00 0.00 176.34 176.75 3gni n GLY 224 N -1.22 0.86 3.16 1.57 0.00 -1.26 -5.04 105.19 103.25 3gni n GLY 224 Ca -0.16 0.00 -0.18 0.00 0.00 0.00 0.00 46.02 45.67 3gni n GLY 224 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 3gni s GLN 225 N -0.22 0.83 0.27 1.61 -0.21 -0.56 -5.11 119.66 116.28 3gni s GLN 225 Ca 0.00 -0.91 -0.29 0.00 0.02 0.00 0.00 55.36 54.18 3gni s GLN 225 Cb 0.00 -0.83 -0.10 0.00 1.00 0.00 0.00 33.01 33.08 3gni s GLN 225 CO 0.00 0.19 1.29 1.03 -2.12 0.00 0.00 175.29 175.67 3gni s ARG 226 N -1.62 4.40 -0.16 2.91 0.52 -1.26 -0.53 118.95 123.21 3gni s ARG 226 Ca -0.02 2.11 -0.06 0.00 -0.52 0.00 0.00 55.73 57.24 3gni s ARG 226 Cb -0.10 -3.13 -0.04 0.00 0.52 0.00 0.00 34.95 32.20 3gni s ARG 226 CO 0.02 -0.17 0.05 -0.65 0.02 0.00 0.00 175.30 174.57 3gni s GLN 227 N -1.05 3.78 0.20 3.54 -1.52 0.80 -4.87 119.66 120.55 3gni s GLN 227 Ca 0.52 -0.35 -0.10 0.00 -1.95 0.00 0.00 55.36 53.48 3gni s GLN 227 Cb -0.38 -3.13 0.24 0.00 -0.22 0.00 0.00 33.01 29.52 3gni s GLN 227 CO 0.45 0.36 1.79 -0.09 -0.25 0.00 0.00 175.29 177.56 3gni h ARG 228 N 6.36 0.57 -5.42 2.91 2.43 -1.95 -3.43 114.38 115.85 3gni h ARG 228 Ca -0.39 -0.03 -0.41 0.00 -0.81 0.00 0.00 59.98 58.33 3gni h ARG 228 Cb 1.18 -0.13 -0.17 0.00 -0.42 0.00 0.00 29.97 30.43 3gni h ARG 228 CO 0.67 0.38 -0.75 0.14 -1.51 0.00 0.00 179.97 178.89 3gni s VAL 229 N -6.10 1.38 0.26 0.20 -7.23 -1.26 -4.62 120.40 103.03 3gni s VAL 229 Ca -0.13 -1.83 0.08 0.00 -1.81 0.00 0.00 61.98 58.29 3gni s VAL 229 Cb 0.16 -1.65 -0.05 0.00 0.56 0.00 0.00 36.38 35.40 3gni s VAL 229 CO 0.75 -0.47 -0.10 0.54 -0.31 0.00 0.00 175.10 175.51 3gni s VAL 230 N -2.38 1.78 0.00 1.32 0.11 -0.43 -4.88 120.40 115.92 3gni s VAL 230 Ca 0.12 -2.19 0.00 0.00 -2.93 0.00 0.00 61.98 56.98 3gni s VAL 230 Cb -0.04 -2.31 0.00 0.00 -1.53 0.00 0.00 36.38 32.51 3gni s VAL 230 CO 0.03 -0.40 0.27 1.41 -3.33 0.00 0.00 175.10 173.08 3gni n HIS 231 N -0.53 0.00 -2.06 1.54 8.25 -1.26 -1.69 115.22 119.47 3gni n HIS 231 Ca -0.06 0.00 -0.42 0.00 -0.26 0.00 0.00 57.72 56.98 3gni n HIS 231 Cb 0.62 0.00 -0.03 0.00 1.12 0.00 0.00 29.99 31.70 3gni n HIS 231 CO 0.00 0.00 0.00 0.34 0.64 0.00 0.00 176.34 177.32 3gni s ASP 232 N -0.18 6.71 -0.15 0.41 -1.08 -1.26 -4.86 116.67 116.26 3gni s ASP 232 Ca 0.00 2.26 -0.29 0.00 -0.52 0.00 0.00 52.55 53.99 3gni s ASP 232 Cb 0.00 -2.55 -0.02 0.00 -1.46 0.00 0.00 42.92 38.89 3gni s ASP 232 CO 0.00 -0.85 1.25 0.12 0.52 0.00 0.00 175.17 176.21 3gni s PHE 233 N 3.14 2.91 -0.29 -5.34 2.19 -1.26 -4.94 117.98 114.39 3gni s PHE 233 Ca 0.70 1.05 -0.35 0.00 0.33 0.00 0.00 56.93 58.66 3gni s PHE 233 Cb -0.34 -3.48 -0.12 0.00 -1.31 0.00 0.00 43.02 37.77 3gni s PHE 233 CO 0.29 -1.60 2.08 -0.35 1.83 0.00 0.00 175.22 177.47 3gni n PRO 234 N 6.41 1.31 -2.48 10.12 -0.04 -1.26 -4.91 135.00 144.14 3gni n PRO 234 Ca 0.13 0.40 -0.37 0.00 -0.04 0.00 0.00 63.50 63.63 3gni n PRO 234 Cb 0.45 -2.49 -0.04 0.00 -0.04 0.00 0.00 33.50 31.39 3gni n PRO 234 CO 0.00 0.00 0.00 0.15 -0.04 0.00 0.00 175.50 175.61 3gni s LYS 235 N 5.53 4.16 -1.41 0.54 1.02 -1.26 -3.66 119.74 124.65 3gni s LYS 235 Ca 1.05 1.60 -0.09 0.00 0.02 0.00 0.00 55.97 58.54 3gni s LYS 235 Cb -0.83 -2.61 0.04 0.00 -0.52 0.00 0.00 37.83 33.91 3gni s LYS 235 CO 0.51 -0.17 1.06 0.66 -0.92 0.00 0.00 175.35 176.49 3gni n TYR 236 N 0.03 -2.54 -1.39 3.18 4.02 -1.26 -4.91 117.16 114.28 3gni n TYR 236 Ca 0.05 0.96 0.06 0.00 -0.01 0.00 0.00 57.90 58.96 3gni n TYR 236 Cb 0.49 -4.60 0.19 0.00 -0.02 0.00 0.00 39.34 35.40 3gni n TYR 236 CO 0.00 0.00 0.00 -1.13 -1.01 0.00 0.00 176.86 174.72 3gni n SER 237 N -2.96 2.08 -4.59 7.72 3.41 -1.24 -4.89 113.62 113.15 3gni n SER 237 Ca -0.03 -3.60 -0.42 0.00 -0.26 0.00 0.00 58.87 54.56 3gni n SER 237 Cb 0.56 -0.51 -0.02 0.00 -0.26 0.00 0.00 64.21 63.98 3gni n SER 237 CO 0.00 0.00 0.00 -0.69 -0.16 0.00 0.00 175.04 174.19 3gni s VAL 238 N -3.11 3.76 0.00 -3.33 1.01 -1.26 -1.40 120.40 116.07 3gni s VAL 238 Ca 0.37 0.73 0.00 0.00 0.00 0.00 0.00 61.98 63.08 3gni s VAL 238 Cb 0.34 -4.12 0.00 0.00 0.00 0.00 0.00 36.38 32.60 3gni s VAL 238 CO -0.03 -0.78 0.00 0.29 0.00 0.00 0.00 175.10 174.58 3gni n LYS 239 N 8.34 0.00 0.00 2.72 5.02 -1.26 -4.91 118.16 128.07 3gni n LYS 239 Ca 0.17 0.00 0.14 0.00 -2.02 0.00 0.00 58.31 56.60 3gni n LYS 239 Cb 0.48 0.00 0.59 0.00 -0.02 0.00 0.00 35.03 36.08 3gni n LYS 239 CO 0.00 0.00 0.00 0.28 -0.52 0.00 0.00 177.40 177.16 3gni n VAL 240 N 0.00 0.00 -0.19 -0.18 0.31 -0.49 -4.36 118.33 113.43 3gni n VAL 240 Ca 0.00 -0.01 -0.02 0.00 -0.01 0.00 0.00 64.34 64.30 3gni n VAL 240 Cb 0.00 -0.31 0.05 0.00 -0.91 0.00 0.00 33.84 32.66 3gni n VAL 240 CO 0.00 0.00 0.00 -0.07 -1.32 0.00 0.00 176.83 175.44 3gni h LEU 241 N 0.10 -0.60 -2.23 7.52 4.07 -1.91 -1.98 115.31 120.28 3gni h LEU 241 Ca 0.00 0.18 0.05 0.00 0.08 0.00 0.00 57.88 58.19 3gni h LEU 241 Cb 0.43 0.38 -0.01 0.00 1.08 0.00 0.00 40.66 42.54 3gni h LEU 241 CO 0.00 -0.21 0.20 -0.65 -1.08 0.00 0.00 178.44 176.71 3gni h PRO 242 N -0.03 0.00 -0.01 1.13 0.11 -1.90 0.10 132.00 131.42 3gni h PRO 242 Ca 0.27 0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.38 3gni h PRO 242 Cb 0.44 0.00 0.00 0.00 0.11 0.00 0.00 31.00 31.55 3gni h PRO 242 CO -0.60 0.00 -0.14 0.91 -0.21 0.00 0.00 178.00 177.97 3gni n TRP 243 N -3.77 0.00 -3.00 0.65 8.01 -0.75 -4.91 117.44 113.68 3gni n TRP 243 Ca 0.01 0.00 -0.40 0.00 -1.31 0.00 0.00 57.50 55.81 3gni n TRP 243 Cb 0.32 -0.16 -0.05 0.00 -2.01 0.00 0.00 31.31 29.42 3gni n TRP 243 CO 0.00 0.00 0.00 -0.51 -1.01 0.00 0.00 177.69 176.17 3gni s LEU 244 N -2.45 4.50 0.68 -0.99 1.43 0.02 -4.04 118.68 117.84 3gni s LEU 244 Ca 0.29 1.51 -0.15 0.00 -1.03 0.00 0.00 54.13 54.74 3gni s LEU 244 Cb 0.20 -3.24 0.01 0.00 0.03 0.00 0.00 46.19 43.20 3gni s LEU 244 CO 0.48 0.10 1.13 -0.94 0.23 0.00 0.00 176.35 177.34 3gni s SER 245 N -0.48 4.86 0.29 2.29 1.04 -1.26 -4.85 113.70 115.59 3gni s SER 245 Ca 0.37 2.08 0.02 0.00 0.48 0.00 0.00 55.95 58.90 3gni s SER 245 Cb -0.21 -2.56 0.60 0.00 0.10 0.00 0.00 66.02 63.95 3gni s SER 245 CO 0.24 -1.80 1.82 -0.65 0.98 0.00 0.00 173.24 173.83 3gni h PRO 246 N -0.09 0.91 0.00 4.02 0.11 -1.93 -1.99 132.00 133.03 3gni h PRO 246 Ca -0.47 -0.05 -0.01 0.00 0.11 0.00 0.00 66.00 65.58 3gni h PRO 246 Cb 1.26 -0.21 -0.00 0.00 0.11 0.00 0.00 31.00 32.16 3gni h PRO 246 CO 0.53 0.60 -0.03 1.05 -0.21 0.00 0.00 178.00 179.94 3gni h GLU 247 N 0.94 0.00 0.17 1.05 9.09 -1.91 0.63 114.58 124.56 3gni h GLU 247 Ca 0.52 0.00 -0.31 0.00 0.05 0.00 0.00 59.36 59.61 3gni h GLU 247 Cb 0.59 0.00 0.03 0.00 -1.65 0.00 0.00 28.75 27.72 3gni h GLU 247 CO -0.29 0.03 -1.33 0.28 0.05 0.00 0.00 179.01 177.74 3gni h VAL 248 N 0.00 1.29 -0.01 -1.06 2.07 -1.69 -3.39 116.25 113.46 3gni h VAL 248 Ca -0.00 -2.58 -0.00 0.00 0.82 0.00 0.00 66.70 64.94 3gni h VAL 248 Cb 0.66 2.83 -0.00 0.00 -1.52 0.00 0.00 31.29 33.26 3gni h VAL 248 CO 0.00 0.78 -0.01 -0.07 0.02 0.00 0.00 177.57 178.29 3gni h LEU 249 N 0.22 0.03 -7.98 2.57 3.38 -1.03 -3.38 115.31 109.13 3gni h LEU 249 Ca -0.21 -0.43 -0.45 0.00 0.09 0.00 0.00 57.88 56.88 3gni h LEU 249 Cb 2.01 -0.01 -0.06 0.00 0.09 0.00 0.00 40.66 42.70 3gni h LEU 249 CO 0.25 0.45 1.40 0.00 0.09 0.00 0.00 178.44 180.63 3gni s GLN 250 N -4.49 3.00 0.63 1.13 -2.07 0.18 -4.93 119.66 113.12 3gni s GLN 250 Ca -0.15 -1.32 -0.18 0.00 -1.82 0.00 0.00 55.36 51.88 3gni s GLN 250 Cb 0.02 -5.32 -0.02 0.00 -1.09 0.00 0.00 33.01 26.61 3gni s GLN 250 CO 0.68 -3.32 1.22 -0.65 -1.32 0.00 0.00 175.29 171.90 3gni s GLN 251 N 5.78 2.72 0.00 9.60 -1.52 -1.26 -2.89 119.66 132.09 3gni s GLN 251 Ca 0.63 1.85 0.00 0.00 -1.95 0.00 0.00 55.36 55.89 3gni s GLN 251 Cb 0.00 -1.89 0.00 0.00 -0.22 0.00 0.00 33.01 30.90 3gni s GLN 251 CO 0.09 -1.41 0.00 0.09 -0.25 0.00 0.00 175.29 173.81 3gni n ASN 252 N -1.90 0.00 -0.35 5.90 3.02 -1.26 -4.99 115.26 115.69 3gni n ASN 252 Ca 0.14 0.00 0.00 0.00 -0.03 0.00 0.00 54.58 54.69 3gni n ASN 252 Cb 0.49 -0.38 0.00 0.00 -0.61 0.00 0.00 39.78 39.28 3gni n ASN 252 CO 0.00 0.00 0.00 0.18 -2.62 0.00 0.00 177.26 174.82 3gni n LEU 253 N 0.00 0.00 0.27 3.41 4.77 -1.14 -4.99 117.00 119.31 3gni n LEU 253 Ca 0.00 0.00 0.13 0.00 -0.03 0.00 0.00 56.01 56.11 3gni n LEU 253 Cb 0.00 0.00 0.75 0.00 -2.33 0.00 0.00 43.42 41.84 3gni n LEU 253 CO 0.00 0.00 1.00 0.06 -1.33 0.00 0.00 177.39 177.12 3gni h GLN 254 N 0.00 0.00 0.00 3.23 3.07 -1.89 -3.49 115.11 116.03 3gni h GLN 254 Ca 0.00 0.00 0.00 0.00 0.09 0.00 0.00 58.65 58.74 3gni h GLN 254 Cb 0.00 0.00 0.00 0.00 0.08 0.00 0.00 27.48 27.56 3gni h GLN 254 CO 0.00 0.10 0.00 0.41 0.09 0.00 0.00 178.83 179.43 3gni n GLY 255 N -0.78 -2.01 3.43 0.06 0.00 -1.26 -4.88 105.19 99.76 3gni n GLY 255 Ca -0.02 -1.78 -0.10 0.00 0.00 0.00 0.00 46.02 44.12 3gni n GLY 255 CO 0.00 0.00 0.00 -2.52 0.00 0.00 0.00 173.32 170.80 3gni s TYR 256 N -0.09 0.63 0.00 1.61 -0.85 -0.68 -4.73 117.35 113.24 3gni s TYR 256 Ca 0.00 -0.94 0.00 0.00 -0.52 0.00 0.00 57.07 55.61 3gni s TYR 256 Cb 0.00 -0.08 0.00 0.00 0.38 0.00 0.00 41.96 42.26 3gni s TYR 256 CO 0.00 -0.85 0.00 -0.40 -1.52 0.00 0.00 175.55 172.78 3gni n ASP 257 N -0.33 0.00 0.27 -0.18 5.68 -1.26 -1.32 116.55 119.42 3gni n ASP 257 Ca -0.01 -0.45 0.14 0.00 -0.50 0.00 0.00 54.79 53.98 3gni n ASP 257 Cb 0.63 0.00 0.85 0.00 -1.14 0.00 0.00 41.12 41.47 3gni n ASP 257 CO 0.00 0.00 0.00 0.00 -1.33 0.00 0.00 177.20 175.87 3gni h ALA 258 N 1.12 1.66 0.00 2.12 0.00 -1.92 -1.69 119.26 120.55 3gni h ALA 258 Ca 0.00 -0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.91 3gni h ALA 258 Cb 0.00 0.00 0.00 0.00 0.00 0.00 0.00 17.79 17.79 3gni h ALA 258 CO 0.00 -0.05 0.00 1.63 0.00 0.00 0.00 179.25 180.83 3gni n LYS 259 N -3.97 0.11 0.01 0.00 5.02 -1.26 -1.32 118.16 116.75 3gni n LYS 259 Ca -0.02 0.19 -0.10 0.00 -2.02 0.00 0.00 58.31 56.36 3gni n LYS 259 Cb 0.12 -1.50 0.05 0.00 -0.02 0.00 0.00 35.03 33.68 3gni n LYS 259 CO 0.00 0.00 0.00 0.66 -0.52 0.00 0.00 177.40 177.54 3gni h SER 260 N 0.00 0.60 0.26 4.39 4.64 -1.68 -2.86 113.55 118.90 3gni h SER 260 Ca 0.00 -0.33 -0.03 0.00 -0.47 0.00 0.00 61.79 60.96 3gni h SER 260 Cb 0.21 -0.17 -0.00 0.00 -0.31 0.00 0.00 62.40 62.12 3gni h SER 260 CO 0.00 1.05 -0.14 0.44 -0.87 0.00 0.00 176.83 177.31 3gni h ASP 261 N 0.41 0.00 0.02 4.97 3.32 -1.39 -2.86 116.42 120.89 3gni h ASP 261 Ca 0.00 0.00 -0.21 0.00 0.02 0.00 0.00 57.03 56.84 3gni h ASP 261 Cb 1.13 0.00 0.00 0.00 0.22 0.00 0.00 39.33 40.68 3gni h ASP 261 CO 0.11 0.14 -0.76 0.40 -1.72 0.00 0.00 179.24 177.41 3gni h ILE 262 N 0.00 1.32 -0.70 0.35 1.08 -1.52 -1.84 117.51 116.20 3gni h ILE 262 Ca -0.00 -2.04 -0.02 0.00 -0.39 0.00 0.00 64.86 62.40 3gni h ILE 262 Cb 0.30 2.03 -0.03 0.00 -3.07 0.00 0.00 36.82 36.05 3gni h ILE 262 CO 0.02 0.63 0.35 0.22 -0.69 0.00 0.00 178.15 178.68 3gni h TYR 263 N 0.43 0.99 -0.06 1.37 3.20 -1.41 -2.43 116.97 119.05 3gni h TYR 263 Ca -0.04 -0.03 -0.09 0.00 3.14 0.00 0.00 58.73 61.70 3gni h TYR 263 Cb 1.36 -0.31 -0.01 0.00 1.54 0.00 0.00 36.73 39.31 3gni h TYR 263 CO 0.07 0.71 -0.38 0.77 -1.64 0.00 0.00 178.16 177.69 3gni h SER 264 N 0.99 0.13 -0.27 -2.11 0.02 -1.27 -1.98 113.55 109.06 3gni h SER 264 Ca 0.25 -0.05 0.00 0.00 -0.84 0.00 0.00 61.79 61.15 3gni h SER 264 Cb 0.08 -0.04 -0.01 0.00 0.14 0.00 0.00 62.40 62.58 3gni h SER 264 CO -0.03 0.50 0.18 0.58 -1.14 0.00 0.00 176.83 176.92 3gni h VAL 265 N 0.11 1.07 -0.55 2.27 2.07 -0.86 -0.69 116.25 119.68 3gni h VAL 265 Ca 0.01 -0.14 0.01 0.00 0.82 0.00 0.00 66.70 67.40 3gni h VAL 265 Cb 0.72 0.68 -0.03 0.00 -1.52 0.00 0.00 31.29 31.15 3gni h VAL 265 CO 0.05 0.07 0.36 1.23 0.02 0.00 0.00 177.57 179.31 3gni h GLY 266 N 0.36 0.78 0.99 2.17 0.00 -1.22 0.56 103.07 106.70 3gni h GLY 266 Ca 0.10 -0.29 -0.00 0.00 0.00 0.00 0.00 47.33 47.14 3gni h GLY 266 CO -0.02 0.28 0.30 -2.22 0.00 0.00 0.00 176.54 174.88 3gni h ILE 267 N 0.74 1.16 -0.81 2.60 1.08 -1.20 -1.65 117.51 119.43 3gni h ILE 267 Ca 0.20 -0.37 0.04 0.00 -0.39 0.00 0.00 64.86 64.34 3gni h ILE 267 Cb -0.08 0.48 -0.05 0.00 -3.07 0.00 0.00 36.82 34.10 3gni h ILE 267 CO -0.05 0.16 0.53 0.74 -0.69 0.00 0.00 178.15 178.84 3gni h THR 268 N 0.69 1.11 -0.88 -0.27 2.02 -0.82 0.12 112.91 114.89 3gni h THR 268 Ca 0.18 -0.33 -0.02 0.00 0.77 0.00 0.00 66.41 67.01 3gni h THR 268 Cb -0.00 0.06 -0.04 0.00 -1.74 0.00 0.00 68.15 66.42 3gni h THR 268 CO -0.03 0.18 0.47 0.00 0.37 0.00 0.00 175.52 176.51 3gni h ALA 269 N 1.54 1.13 -0.31 6.16 0.00 -0.09 0.35 119.26 128.02 3gni h ALA 269 Ca 0.33 -0.13 -0.12 0.00 0.00 0.00 0.00 54.91 54.98 3gni h ALA 269 Cb 0.07 -0.35 -0.00 0.00 0.00 0.00 0.00 17.79 17.51 3gni h ALA 269 CO -0.10 0.64 -0.30 0.00 0.00 0.00 0.00 179.25 179.50 3gni h GLU 271 N 0.50 1.03 -0.02 0.00 4.81 -0.44 -0.96 114.58 119.50 3gni h GLU 271 Ca 0.05 -0.06 -0.17 0.00 -0.13 0.00 0.00 59.36 59.05 3gni h GLU 271 Cb 0.87 -0.23 -0.01 0.00 0.63 0.00 0.00 28.75 30.00 3gni h GLU 271 CO 0.07 0.68 -0.73 -0.07 -0.73 0.00 0.00 179.01 178.23 3gni h LEU 272 N 1.06 0.18 -0.05 1.64 3.38 -0.22 0.42 115.31 121.73 3gni h LEU 272 Ca 0.31 -0.13 -0.15 0.00 0.09 0.00 0.00 57.88 58.01 3gni h LEU 272 Cb -0.07 -0.05 0.01 0.00 0.09 0.00 0.00 40.66 40.64 3gni h LEU 272 CO -0.09 0.85 -0.54 0.00 0.09 0.00 0.00 178.44 178.76 3gni h ALA 273 N 1.14 0.13 0.00 1.53 0.00 -1.14 0.11 119.26 121.04 3gni h ALA 273 Ca -0.02 -0.53 -0.07 0.00 0.00 0.00 0.00 54.91 54.29 3gni h ALA 273 Cb 1.29 0.01 -0.01 0.00 0.00 0.00 0.00 17.79 19.08 3gni h ALA 273 CO 0.11 0.35 -1.66 0.09 0.00 0.00 0.00 179.25 178.14 3gni n ASN 274 N -4.24 0.38 0.00 0.00 3.02 -0.37 -4.07 115.26 109.98 3gni n ASN 274 Ca -0.09 0.16 0.00 0.00 -0.03 0.00 0.00 54.58 54.61 3gni n ASN 274 Cb 0.63 1.14 0.00 0.00 -0.61 0.00 0.00 39.78 40.94 3gni n ASN 274 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 3gni n GLY 275 N 1.31 1.37 3.07 7.41 0.00 0.14 -3.87 105.19 114.62 3gni n GLY 275 Ca -0.07 0.00 -0.15 0.00 0.00 0.00 0.00 46.02 45.80 3gni n GLY 275 CO 0.00 0.00 0.00 -2.38 0.00 0.00 0.00 173.32 170.94 3gni s HIS 276 N -3.36 0.79 0.30 1.61 -3.43 -1.24 -4.88 115.29 105.08 3gni s HIS 276 Ca 0.00 -0.42 -0.28 0.00 -0.80 0.00 0.00 55.06 53.56 3gni s HIS 276 Cb 0.00 -0.47 -0.09 0.00 -1.43 0.00 0.00 32.58 30.59 3gni s HIS 276 CO 0.00 -0.04 0.98 0.54 -2.00 0.00 0.00 174.74 174.22 3gni s VAL 277 N -1.14 4.01 0.60 -5.38 0.11 -1.26 -3.94 120.40 113.40 3gni s VAL 277 Ca -0.06 1.81 -0.19 0.00 -2.93 0.00 0.00 61.98 60.61 3gni s VAL 277 Cb -0.09 -4.07 -0.03 0.00 -1.53 0.00 0.00 36.38 30.67 3gni s VAL 277 CO 0.01 0.27 1.25 -2.84 -3.33 0.00 0.00 175.10 170.46 3gni s PRO 278 N -1.75 2.87 -1.18 1.54 0.02 -1.26 -3.38 135.00 131.86 3gni s PRO 278 Ca 0.47 1.95 0.00 0.00 0.02 0.00 0.00 61.00 63.44 3gni s PRO 278 Cb -0.23 -1.95 0.00 0.00 0.02 0.00 0.00 34.50 32.34 3gni s PRO 278 CO 0.29 -1.32 0.00 1.19 -0.33 0.00 0.00 177.00 176.83 3gni n PHE 279 N -1.61 -0.40 -2.40 6.54 3.01 -1.26 -4.87 117.46 116.47 3gni n PHE 279 Ca 0.14 0.00 -0.40 0.00 1.01 0.00 0.00 57.45 58.19 3gni n PHE 279 Cb 0.49 -2.66 -0.04 0.00 -0.01 0.00 0.00 39.48 37.26 3gni n PHE 279 CO 0.00 0.00 0.00 0.21 1.01 0.00 0.00 176.76 177.98 3gni s LYS 280 N -4.12 4.58 0.00 -1.08 2.47 -1.22 -2.90 119.74 117.48 3gni s LYS 280 Ca 0.00 1.88 0.00 0.00 -1.56 0.00 0.00 55.97 56.29 3gni s LYS 280 Cb 0.00 -3.17 0.00 0.00 -1.46 0.00 0.00 37.83 33.20 3gni s LYS 280 CO 0.00 0.11 0.00 -0.25 0.16 0.00 0.00 175.35 175.37 3gni n ASP 281 N 1.25 0.00 -4.72 1.43 9.92 -1.26 -4.97 116.55 118.20 3gni n ASP 281 Ca -0.00 0.00 -0.42 0.00 -0.53 0.00 0.00 54.79 53.84 3gni n ASP 281 Cb 0.44 -1.34 -0.03 0.00 -0.64 0.00 0.00 41.12 39.55 3gni n ASP 281 CO 0.00 0.00 0.00 -0.32 0.13 0.00 0.00 177.20 177.01 3gni s MET 282 N -0.47 4.49 0.77 -1.24 1.75 -1.14 -5.01 119.30 118.44 3gni s MET 282 Ca 0.00 1.67 -0.16 0.00 -1.25 0.00 0.00 55.69 55.95 3gni s MET 282 Cb 0.00 -3.36 -0.05 0.00 2.84 0.00 0.00 34.83 34.26 3gni s MET 282 CO 0.00 -0.15 0.32 -2.30 -0.65 0.00 0.00 175.02 172.24 3gni n PRO 283 N 3.68 0.15 -0.31 4.11 -0.02 -1.26 -4.75 135.00 136.60 3gni n PRO 283 Ca 0.07 0.08 0.25 0.00 -2.02 0.00 0.00 63.50 61.89 3gni n PRO 283 Cb 0.47 -1.68 0.47 0.00 -0.02 0.00 0.00 33.50 32.74 3gni n PRO 283 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 3gni n ALA 284 N -2.52 0.82 -0.67 3.55 0.00 -1.26 -0.83 120.51 119.60 3gni n ALA 284 Ca 0.08 0.97 -0.06 0.00 0.00 0.00 0.00 53.44 54.43 3gni n ALA 284 Cb 0.51 -0.89 -0.08 0.00 0.00 0.00 0.00 19.45 18.99 3gni n ALA 284 CO 0.00 0.00 0.00 2.41 0.00 0.00 0.00 177.50 179.91 3gni n THR 285 N -5.19 2.22 0.42 0.00 -1.04 -1.26 -3.75 114.28 105.68 3gni n THR 285 Ca 0.31 -0.91 0.13 0.00 -2.04 0.00 0.00 64.05 61.55 3gni n THR 285 Cb 1.06 -1.71 0.47 0.00 -1.82 0.00 0.00 70.33 68.33 3gni n THR 285 CO 0.00 0.00 0.00 -0.61 -0.64 0.00 0.00 175.07 173.82 3gni h GLN 286 N 2.44 0.00 -0.76 -2.82 4.15 -1.28 -3.30 115.11 113.54 3gni h GLN 286 Ca 0.09 0.00 0.10 0.00 0.77 0.00 0.00 58.65 59.61 3gni h GLN 286 Cb 1.12 0.00 -0.11 0.00 0.21 0.00 0.00 27.48 28.70 3gni h GLN 286 CO 0.14 0.00 -0.35 -0.12 -1.93 0.00 0.00 178.83 176.57 3gni n MET 287 N -2.52 -0.23 -0.17 1.69 1.56 -1.25 -2.31 117.12 113.90 3gni n MET 287 Ca 0.03 1.17 -0.02 0.00 -0.27 0.00 0.00 57.70 58.61 3gni n MET 287 Cb 0.33 -1.73 0.07 0.00 2.15 0.00 0.00 33.22 34.05 3gni n MET 287 CO 0.00 0.00 0.00 -0.07 -0.73 0.00 0.00 175.97 175.17 3gni h LEU 288 N 0.00 -0.05 -0.90 -0.89 3.38 -1.93 -0.86 115.31 114.07 3gni h LEU 288 Ca 0.22 0.10 -0.11 0.00 0.09 0.00 0.00 57.88 58.18 3gni h LEU 288 Cb 0.41 0.15 -0.01 0.00 0.09 0.00 0.00 40.66 41.30 3gni h LEU 288 CO -0.74 0.00 -0.42 -0.07 0.09 0.00 0.00 178.44 177.29 3gni h LEU 289 N 0.21 0.29 -1.26 1.67 3.38 -1.73 -2.59 115.31 115.28 3gni h LEU 289 Ca 0.26 -0.12 -0.06 0.00 0.09 0.00 0.00 57.88 58.05 3gni h LEU 289 Cb 0.37 -0.08 -0.01 0.00 0.09 0.00 0.00 40.66 41.03 3gni h LEU 289 CO -0.36 0.68 -0.14 -0.33 0.09 0.00 0.00 178.44 178.37 3gni h GLU 290 N 0.23 0.33 -2.10 1.13 5.08 -0.97 -3.53 114.58 114.74 3gni h GLU 290 Ca 0.02 -0.09 -0.16 0.00 -1.00 0.00 0.00 59.36 58.13 3gni h GLU 290 Cb 0.84 -0.04 -0.06 0.00 0.50 0.00 0.00 28.75 30.00 3gni h GLU 290 CO 0.07 0.48 -0.28 1.63 -1.00 0.00 0.00 179.01 179.90 3gni n LYS 291 N -4.23 1.74 0.00 2.33 5.02 -0.41 -4.92 118.16 117.69 3gni n LYS 291 Ca -0.00 -0.84 0.00 0.00 -2.02 0.00 0.00 58.31 55.44 3gni n LYS 291 Cb 0.30 -1.90 0.00 0.00 -0.02 0.00 0.00 35.03 33.41 3gni n LYS 291 CO 0.00 0.00 0.00 1.19 -0.52 0.00 0.00 177.40 178.07 3gni n PHE 348 N 2.49 0.00 -1.92 2.13 3.01 -1.26 -5.03 117.46 116.89 3gni n PHE 348 Ca 0.36 0.00 -0.37 0.00 1.01 0.00 0.00 57.45 58.45 3gni n PHE 348 Cb 0.80 -0.14 0.04 0.00 -0.01 0.00 0.00 39.48 40.17 3gni n PHE 348 CO 0.00 0.00 0.00 -1.54 1.01 0.00 0.00 176.76 176.23 3gni s SER 349 N -0.69 5.16 0.47 4.37 1.04 -1.26 -4.90 113.70 117.88 3gni s SER 349 Ca 0.00 2.53 0.14 0.00 0.48 0.00 0.00 55.95 59.10 3gni s SER 349 Cb 0.00 -2.61 1.10 0.00 0.10 0.00 0.00 66.02 64.60 3gni s SER 349 CO 0.00 -1.62 2.07 1.55 0.98 0.00 0.00 173.24 176.21 3gni h PRO 350 N 1.05 0.26 -0.88 4.02 0.13 -2.04 -2.13 132.00 132.42 3gni h PRO 350 Ca -0.51 -0.02 0.02 0.00 -0.87 0.00 0.00 66.00 64.63 3gni h PRO 350 Cb 1.30 -0.06 -0.05 0.00 0.13 0.00 0.00 31.00 32.33 3gni h PRO 350 CO 0.56 0.17 0.58 0.45 -0.23 0.00 0.00 178.00 179.53 3gni h HIS 351 N 0.27 1.09 -0.41 1.56 3.86 -1.96 -1.60 115.15 117.96 3gni h HIS 351 Ca 0.14 0.03 0.03 0.00 -1.16 0.00 0.00 60.37 59.41 3gni h HIS 351 Cb 0.21 -0.37 -0.04 0.00 1.06 0.00 0.00 27.41 28.28 3gni h HIS 351 CO -0.00 0.66 0.20 0.35 0.86 0.00 0.00 177.93 180.00 3gni h PHE 352 N 1.15 0.36 -0.34 2.45 3.57 -1.74 -0.01 116.94 122.38 3gni h PHE 352 Ca 0.33 0.02 0.01 0.00 3.53 0.00 0.00 57.97 61.86 3gni h PHE 352 Cb -0.08 -0.10 -0.02 0.00 2.79 0.00 0.00 35.95 38.54 3gni h PHE 352 CO -0.01 0.18 0.20 0.45 -2.23 0.00 0.00 178.31 176.90 3gni h HIS 353 N 0.40 0.37 -0.11 0.41 3.86 -1.29 -1.25 115.15 117.54 3gni h HIS 353 Ca 0.18 0.01 -0.10 0.00 -1.16 0.00 0.00 60.37 59.30 3gni h HIS 353 Cb 0.10 -0.12 -0.01 0.00 1.06 0.00 0.00 27.41 28.43 3gni h HIS 353 CO -0.11 0.22 -0.37 0.45 0.86 0.00 0.00 177.93 178.98 3gni h HIS 354 N 0.41 0.27 0.18 2.45 3.86 -1.08 -0.75 115.15 120.48 3gni h HIS 354 Ca 0.13 -0.07 0.01 0.00 -1.16 0.00 0.00 60.37 59.28 3gni h HIS 354 Cb 0.00 -0.06 -0.02 0.00 1.06 0.00 0.00 27.41 28.39 3gni h HIS 354 CO -0.07 0.57 -0.19 0.35 0.86 0.00 0.00 177.93 179.45 3gni h PHE 355 N 0.20 -0.49 -0.51 2.45 3.57 -0.68 -2.22 116.94 119.26 3gni h PHE 355 Ca 0.02 0.00 -0.06 0.00 3.53 0.00 0.00 57.97 61.46 3gni h PHE 355 Cb 0.75 0.19 -0.02 0.00 2.79 0.00 0.00 35.95 39.66 3gni h PHE 355 CO 0.01 -0.28 0.07 0.28 -2.23 0.00 0.00 178.31 176.16 3gni h VAL 356 N -0.40 1.25 0.00 1.41 2.07 -0.86 -2.66 116.25 117.06 3gni h VAL 356 Ca 0.00 -0.96 -0.04 0.00 0.82 0.00 0.00 66.70 66.52 3gni h VAL 356 Cb 0.38 0.88 -0.01 0.00 -1.52 0.00 0.00 31.29 31.03 3gni h VAL 356 CO -0.05 0.34 -0.21 -0.33 0.02 0.00 0.00 177.57 177.34 3gni h GLU 357 N 0.73 0.00 -0.03 1.57 5.08 -1.17 -2.29 114.58 118.48 3gni h GLU 357 Ca 0.15 0.00 -0.07 0.00 -1.00 0.00 0.00 59.36 58.44 3gni h GLU 357 Cb 0.42 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.67 3gni h GLU 357 CO 0.01 0.21 -0.26 1.96 -1.00 0.00 0.00 179.01 179.93 3gni h GLN 358 N 0.00 0.22 -0.82 2.33 4.20 -1.14 -3.28 115.11 116.63 3gni h GLN 358 Ca -0.00 -0.20 0.09 0.00 0.06 0.00 0.00 58.65 58.59 3gni h GLN 358 Cb 0.49 0.05 -0.06 0.00 0.30 0.00 0.00 27.48 28.26 3gni h GLN 358 CO 0.03 0.89 0.53 0.00 -0.67 0.00 0.00 178.83 179.61 3gni n LEU 360 N -4.51 2.58 -4.75 0.00 4.77 -0.88 -3.57 117.00 110.64 3gni n LEU 360 Ca 0.13 -1.29 -0.41 0.00 -0.03 0.00 0.00 56.01 54.41 3gni n LEU 360 Cb 0.30 -0.33 -0.01 0.00 -2.33 0.00 0.00 43.42 41.04 3gni n LEU 360 CO 0.32 0.61 1.22 -1.10 -1.33 0.00 0.00 177.39 177.12 3gni s GLN 361 N -1.42 4.13 0.13 3.23 -0.21 -1.19 -4.92 119.66 119.40 3gni s GLN 361 Ca 0.31 2.55 -0.21 0.00 0.02 0.00 0.00 55.36 58.04 3gni s GLN 361 Cb 0.17 -3.03 -0.03 0.00 1.00 0.00 0.00 33.01 31.12 3gni s GLN 361 CO 0.20 -0.61 1.69 -0.09 -2.12 0.00 0.00 175.29 174.37 3gni h ARG 362 N 4.70 -0.07 -6.36 2.91 9.65 -1.92 -3.38 114.38 119.90 3gni h ARG 362 Ca -0.47 0.00 -0.57 0.00 -1.10 0.00 0.00 59.98 57.84 3gni h ARG 362 Cb 1.22 0.02 -0.04 0.00 -1.39 0.00 0.00 29.97 29.78 3gni h ARG 362 CO 0.78 -0.05 1.07 1.21 2.80 0.00 0.00 179.97 185.78 3gni s ASN 363 N -5.14 6.44 0.36 -3.80 2.47 -1.26 -4.92 114.94 109.08 3gni s ASN 363 Ca -0.14 1.29 0.10 0.00 0.42 0.00 0.00 52.86 54.53 3gni s ASN 363 Cb 0.10 -2.54 0.69 0.00 -1.45 0.00 0.00 41.25 38.06 3gni s ASN 363 CO 0.68 -1.27 1.84 1.55 -3.72 0.00 0.00 177.10 176.18 3gni h PRO 364 N 10.38 0.17 -0.18 0.43 0.13 -1.94 -2.62 132.00 138.37 3gni h PRO 364 Ca -0.30 -0.05 -0.00 0.00 -0.87 0.00 0.00 66.00 64.78 3gni h PRO 364 Cb 1.12 -0.01 -0.01 0.00 0.13 0.00 0.00 31.00 32.23 3gni h PRO 364 CO 1.03 0.43 0.10 -0.44 -0.23 0.00 0.00 178.00 178.89 3gni h ASP 365 N 0.15 0.20 0.83 1.44 3.45 -1.95 -1.73 116.42 118.82 3gni h ASP 365 Ca 0.02 -0.01 -0.11 0.00 0.43 0.00 0.00 57.03 57.37 3gni h ASP 365 Cb 0.56 -0.05 -0.02 0.00 -0.56 0.00 0.00 39.33 39.26 3gni h ASP 365 CO 0.04 0.16 -0.51 0.00 -1.57 0.00 0.00 179.24 177.36 3gni h ALA 366 N 1.88 0.92 -2.78 3.45 0.00 -1.87 -3.46 119.26 117.40 3gni h ALA 366 Ca 0.06 -0.46 -0.52 0.00 0.00 0.00 0.00 54.91 53.99 3gni h ALA 366 Cb -0.00 -0.08 0.06 0.00 0.00 0.00 0.00 17.79 17.76 3gni h ALA 366 CO -0.01 0.64 0.70 1.03 0.00 0.00 0.00 179.25 181.61 3gni s ARG 367 N -3.50 4.32 0.60 0.00 0.52 -0.65 -5.01 118.95 115.22 3gni s ARG 367 Ca -0.00 2.23 -0.16 0.00 -0.52 0.00 0.00 55.73 57.29 3gni s ARG 367 Cb 0.11 -3.11 -0.03 0.00 0.52 0.00 0.00 34.95 32.44 3gni s ARG 367 CO 0.73 -0.32 1.06 -1.25 0.02 0.00 0.00 175.30 175.54 3gni s PRO 368 N -0.81 3.28 0.86 3.54 0.04 -1.26 -5.03 135.00 135.62 3gni s PRO 368 Ca 0.55 1.22 -0.11 0.00 0.04 0.00 0.00 61.00 62.70 3gni s PRO 368 Cb -0.40 -2.03 0.11 0.00 0.04 0.00 0.00 34.50 32.22 3gni s PRO 368 CO 0.46 -0.84 1.09 -1.54 0.04 0.00 0.00 177.00 176.21 3gni s SER 369 N -2.77 3.78 0.43 6.66 1.04 -1.26 -4.85 113.70 116.73 3gni s SER 369 Ca 0.64 1.45 0.10 0.00 0.48 0.00 0.00 55.95 58.62 3gni s SER 369 Cb -0.16 -2.14 0.93 0.00 0.10 0.00 0.00 66.02 64.74 3gni s SER 369 CO 0.37 -2.44 2.03 0.00 0.98 0.00 0.00 173.24 174.18 3gni h ALA 370 N -1.41 1.70 -0.34 5.32 0.00 -1.93 -1.33 119.26 121.27 3gni h ALA 370 Ca -0.49 -0.09 -0.14 0.00 0.00 0.00 0.00 54.91 54.20 3gni h ALA 370 Cb 1.28 -0.10 -0.01 0.00 0.00 0.00 0.00 17.79 18.97 3gni h ALA 370 CO 0.56 0.23 -0.34 0.66 0.00 0.00 0.00 179.25 180.36 3gni h SER 371 N 0.30 0.89 1.52 0.00 4.64 -1.93 -2.25 113.55 116.73 3gni h SER 371 Ca 0.08 -0.47 -0.10 0.00 -0.47 0.00 0.00 61.79 60.83 3gni h SER 371 Cb 0.11 -0.25 -0.01 0.00 -0.31 0.00 0.00 62.40 61.94 3gni h SER 371 CO -0.00 1.18 -0.49 0.71 -0.87 0.00 0.00 176.83 177.36 3gni h THR 372 N 0.62 0.75 0.00 2.95 1.35 -1.90 -3.05 112.91 113.63 3gni h THR 372 Ca 0.05 -2.07 -0.07 0.00 -0.55 0.00 0.00 66.41 63.77 3gni h THR 372 Cb 0.93 2.36 -0.01 0.00 -1.73 0.00 0.00 68.15 69.70 3gni h THR 372 CO 0.08 0.43 -0.36 0.25 -0.25 0.00 0.00 175.52 175.68 3gni h LEU 373 N 0.00 0.00 -1.37 3.87 6.46 -1.18 -2.26 115.31 120.83 3gni h LEU 373 Ca -0.01 0.00 -0.02 0.00 -0.12 0.00 0.00 57.88 57.73 3gni h LEU 373 Cb 1.35 0.00 -0.00 0.00 -0.73 0.00 0.00 40.66 41.28 3gni h LEU 373 CO 0.06 0.36 -0.11 -0.07 -0.62 0.00 0.00 178.44 178.05 3gni h LEU 374 N 0.00 0.00 -1.03 2.25 3.38 -1.29 -2.32 115.31 116.30 3gni h LEU 374 Ca -0.00 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.97 3gni h LEU 374 Cb 0.72 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.47 3gni h LEU 374 CO 0.05 0.11 0.00 0.59 0.09 0.00 0.00 178.44 179.28 3gni n ASN 375 N -3.27 1.55 -4.77 -0.43 3.02 -0.85 -4.87 115.26 105.64 3gni n ASN 375 Ca 0.00 -1.68 -0.39 0.00 -0.03 0.00 0.00 54.58 52.48 3gni n ASN 375 Cb 0.35 -0.10 -0.01 0.00 -0.61 0.00 0.00 39.78 39.41 3gni n ASN 375 CO 0.00 0.00 0.00 -2.28 -2.62 0.00 0.00 177.26 172.36 3gni s HIS 376 N -1.81 2.95 0.42 3.10 2.46 -0.87 -4.92 115.29 116.62 3gni s HIS 376 Ca 0.32 1.49 0.25 0.00 0.47 0.00 0.00 55.06 57.59 3gni s HIS 376 Cb 0.17 -3.52 1.27 0.00 -0.13 0.00 0.00 32.58 30.37 3gni s HIS 376 CO 0.26 -1.67 1.70 0.77 -2.47 0.00 0.00 174.74 173.34 3gni h SER 377 N 2.65 0.33 -1.00 9.88 0.02 -1.92 -2.34 113.55 121.17 3gni h SER 377 Ca -0.49 0.10 0.24 0.00 -0.84 0.00 0.00 61.79 60.80 3gni h SER 377 Cb 1.24 0.06 -0.09 0.00 0.14 0.00 0.00 62.40 63.75 3gni h SER 377 CO 0.62 -0.04 0.64 0.15 -1.14 0.00 0.00 176.83 177.07 3gni h PHE 378 N 0.23 0.70 -0.01 3.45 3.57 -1.91 -0.91 116.94 122.06 3gni h PHE 378 Ca 0.70 0.02 0.00 0.00 3.53 0.00 0.00 57.97 62.22 3gni h PHE 378 Cb 2.03 -0.21 0.00 0.00 2.79 0.00 0.00 35.95 40.56 3gni h PHE 378 CO -0.00 0.11 -0.03 1.19 -2.23 0.00 0.00 178.31 177.34 3gni n PHE 379 N -4.63 0.00 0.28 0.41 3.01 -0.88 -4.03 117.46 111.62 3gni n PHE 379 Ca 0.24 0.00 0.12 0.00 1.01 0.00 0.00 57.45 58.82 3gni n PHE 379 Cb 0.79 -0.02 0.79 0.00 -0.01 0.00 0.00 39.48 41.02 3gni n PHE 379 CO 0.00 0.00 0.00 0.87 1.01 0.00 0.00 176.76 178.64 3gni h LYS 380 N 1.90 0.00 0.00 -1.08 1.57 -1.32 -2.54 116.57 115.10 3gni h LYS 380 Ca 0.00 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.78 3gni h LYS 380 Cb 0.44 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.75 3gni h LYS 380 CO 0.00 0.02 0.00 0.00 -0.57 0.00 0.00 179.45 178.90 3gni n GLN 381 N -4.09 0.26 -1.00 3.15 10.64 -1.26 -5.19 117.38 119.89 3gni n GLN 381 Ca -0.03 0.12 -0.29 0.00 -1.83 0.00 0.00 57.00 54.98 3gni n GLN 381 Cb 0.11 -1.50 0.19 0.00 -0.86 0.00 0.00 30.24 28.18 3gni n GLN 381 CO 0.00 0.00 0.00 0.42 -1.83 0.00 0.00 177.06 175.65 3gni s ILE 382 N -2.47 2.13 0.00 -0.39 -1.09 -0.96 -5.09 121.20 113.33 3gni s ILE 382 Ca 0.16 0.04 0.00 0.00 -2.23 0.00 0.00 60.65 58.62 3gni s ILE 382 Cb 0.10 -2.41 0.00 0.00 -1.58 0.00 0.00 42.46 38.57 3gni s ILE 382 CO 0.22 -0.06 0.00 0.00 -1.23 0.00 0.00 174.94 173.87 3gni n ALA 386 N -4.34 0.00 -0.63 9.38 0.00 -1.26 -5.18 120.51 118.48 3gni n ALA 386 Ca 0.05 0.00 0.07 0.00 0.00 0.00 0.00 53.44 53.56 3gni n ALA 386 Cb 0.56 0.00 0.23 0.00 0.00 0.00 0.00 19.45 20.25 3gni n ALA 386 CO 0.00 0.00 0.00 -1.13 0.00 0.00 0.00 177.50 176.37 3gni n SER 387 N -1.78 3.68 0.00 0.00 3.41 -1.26 -3.98 113.62 113.69 3gni n SER 387 Ca 0.00 -2.55 0.00 0.00 -0.26 0.00 0.00 58.87 56.06 3gni n SER 387 Cb 0.00 -0.43 0.00 0.00 -0.26 0.00 0.00 64.21 63.52 3gni n SER 387 CO 0.00 0.00 0.00 1.21 -0.16 0.00 0.00 175.04 176.09 3gni n GLU 388 N 0.13 2.25 0.02 4.33 2.13 -1.26 -4.51 120.64 123.72 3gni n GLU 388 Ca 0.18 0.00 -0.11 0.00 0.66 0.00 0.00 57.16 57.89 3gni n GLU 388 Cb 0.72 -0.19 -0.14 0.00 0.27 0.00 0.00 31.44 32.11 3gni n GLU 388 CO 0.00 0.00 0.00 0.00 -0.41 0.00 0.00 177.13 176.72 3gni h ALA 389 N 0.00 0.53 0.05 4.31 0.00 -1.95 -3.40 119.26 118.81 3gni h ALA 389 Ca 0.00 -1.24 -0.16 0.00 0.00 0.00 0.00 54.91 53.51 3gni h ALA 389 Cb 0.00 0.29 0.02 0.00 0.00 0.00 0.00 17.79 18.09 3gni h ALA 389 CO 0.00 1.38 -0.67 -0.07 0.00 0.00 0.00 179.25 179.89 3gni h LEU 390 N 0.02 0.50 -0.74 0.00 3.38 -1.88 -2.97 115.31 113.62 3gni h LEU 390 Ca -0.21 -0.83 0.12 0.00 0.09 0.00 0.00 57.88 57.04 3gni h LEU 390 Cb 1.95 -0.16 -0.08 0.00 0.09 0.00 0.00 40.66 42.47 3gni h LEU 390 CO 0.11 1.28 0.34 -0.65 0.09 0.00 0.00 178.44 179.61 3gni h PRO 391 N -0.22 0.53 -0.56 1.13 0.11 -1.88 -1.66 132.00 129.44 3gni h PRO 391 Ca -0.10 -0.03 -0.02 0.00 0.11 0.00 0.00 66.00 65.96 3gni h PRO 391 Cb 1.43 -0.12 -0.03 0.00 0.11 0.00 0.00 31.00 32.39 3gni h PRO 391 CO 0.13 0.35 0.26 0.93 -0.21 0.00 0.00 178.00 179.46 3gni h GLU 392 N 0.55 0.82 0.00 1.05 3.07 -1.77 -2.51 114.58 115.79 3gni h GLU 392 Ca 0.38 -0.13 -0.00 0.00 -0.50 0.00 0.00 59.36 59.11 3gni h GLU 392 Cb 0.49 -0.14 -0.00 0.00 -0.84 0.00 0.00 28.75 28.25 3gni h GLU 392 CO -0.33 0.68 -0.01 -0.07 -1.40 0.00 0.00 179.01 177.88 3gni h LEU 393 N 0.76 0.00 -1.36 1.33 3.38 -1.21 -2.07 115.31 116.15 3gni h LEU 393 Ca 0.19 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.16 3gni h LEU 393 Cb 0.14 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.89 3gni h LEU 393 CO -0.02 0.01 0.00 0.18 0.09 0.00 0.00 178.44 178.70 3gni n LEU 394 N -3.20 2.04 -4.76 1.67 4.77 -0.69 -4.93 117.00 111.90 3gni n LEU 394 Ca -0.02 -0.86 -0.39 0.00 -0.03 0.00 0.00 56.01 54.71 3gni n LEU 394 Cb 0.15 -0.14 0.03 0.00 -2.33 0.00 0.00 43.42 41.13 3gni n LEU 394 CO 0.23 0.43 1.02 -0.13 -1.33 0.00 0.00 177.39 177.62 3gni s ARG 395 N -1.73 3.43 -0.28 3.23 0.52 -0.78 -1.57 118.95 121.77 3gni s ARG 395 Ca 0.33 2.32 0.09 0.00 -0.52 0.00 0.00 55.73 57.95 3gni s ARG 395 Cb 0.18 -2.46 0.69 0.00 0.52 0.00 0.00 34.95 33.88 3gni s ARG 395 CO 0.27 -0.99 1.69 -0.35 0.02 0.00 0.00 175.30 175.94 3gni n PRO 396 N -0.59 3.64 -2.17 3.54 -0.04 -1.26 -5.10 135.00 133.01 3gni n PRO 396 Ca 0.08 -2.77 -0.42 0.00 -0.04 0.00 0.00 63.50 60.35 3gni n PRO 396 Cb 0.43 -2.14 -0.03 0.00 -0.04 0.00 0.00 33.50 31.73 3gni n PRO 396 CO 0.00 0.00 0.00 0.08 -0.04 0.00 0.00 175.50 175.54 3gni s VAL 397 N -2.70 3.59 -0.14 0.52 1.01 -0.61 -5.02 120.40 117.04 3gni s VAL 397 Ca 0.49 0.98 -0.03 0.00 0.00 0.00 0.00 61.98 63.43 3gni s VAL 397 Cb 0.39 -3.63 -0.03 0.00 0.00 0.00 0.00 36.38 33.11 3gni s VAL 397 CO 0.13 -0.00 -0.03 0.28 0.00 0.00 0.00 175.10 175.47 3gni s THR 398 N 2.43 3.93 0.67 3.92 -1.32 -1.26 -4.99 115.64 119.02 3gni s THR 398 Ca 0.66 -0.35 -0.08 0.00 -1.21 0.00 0.00 61.69 60.71 3gni s THR 398 Cb -0.33 -2.71 0.04 0.00 -1.51 0.00 0.00 72.50 67.99 3gni s THR 398 CO 0.27 0.51 1.00 -2.16 -2.21 0.00 0.00 174.62 172.03 3gni s PRO 399 N 0.17 2.55 -0.14 7.08 0.04 -1.26 -5.06 135.00 138.38 3gni s PRO 399 Ca -0.01 -0.02 -0.07 0.00 0.04 0.00 0.00 61.00 60.94 3gni s PRO 399 Cb -0.14 -2.17 -0.04 0.00 0.04 0.00 0.00 34.50 32.20 3gni s PRO 399 CO 0.03 -1.04 0.09 -1.50 0.04 0.00 0.00 177.00 174.62 3gni s ILE 400 N -3.20 5.10 -0.73 0.56 1.10 -1.26 -5.10 121.20 117.68 3gni s ILE 400 Ca 0.58 0.06 0.04 0.00 -0.51 0.00 0.00 60.65 60.82 3gni s ILE 400 Cb -0.11 -3.24 0.28 0.00 0.15 0.00 0.00 42.46 39.54 3gni s ILE 400 CO 0.46 0.55 0.98 0.35 -2.11 0.00 0.00 174.94 175.17 3gni n THR 401 N 2.63 3.26 0.05 4.00 -2.24 -1.26 -4.96 114.28 115.76 3gni n THR 401 Ca -0.18 -5.47 0.00 0.00 -2.27 0.00 0.00 64.05 56.13 3gni n THR 401 Cb 0.54 -1.92 0.00 0.00 -2.10 0.00 0.00 70.33 66.84 3gni n THR 401 CO 0.00 0.00 0.00 -0.62 -0.57 0.00 0.00 175.07 173.88 3gni n GLU 425 N 0.65 0.00 -2.72 -0.78 1.02 -1.26 -5.18 120.64 112.36 3gni n GLU 425 Ca 0.31 0.00 -0.36 0.00 -0.02 0.00 0.00 57.16 57.08 3gni n GLU 425 Cb 0.38 0.00 -0.06 0.00 -0.02 0.00 0.00 31.44 31.74 3gni n GLU 425 CO 0.00 0.00 0.00 0.08 1.18 0.00 0.00 177.13 178.39 3gni s VAL 426 N -2.00 4.10 0.73 2.62 1.01 -1.26 -5.05 120.40 120.55 3gni s VAL 426 Ca 0.00 1.65 -0.14 0.00 0.00 0.00 0.00 61.98 63.49 3gni s VAL 426 Cb 0.00 -3.87 0.04 0.00 0.00 0.00 0.00 36.38 32.55 3gni s VAL 426 CO 0.00 0.04 1.13 1.51 0.00 0.00 0.00 175.10 177.79 3gni s ASP 427 N -1.67 4.53 0.66 3.32 3.84 -1.26 -4.97 116.67 121.12 3gni s ASP 427 Ca 0.54 2.08 -0.16 0.00 -0.00 0.00 0.00 52.55 55.00 3gni s ASP 427 Cb -0.18 -2.56 -0.00 0.00 -1.38 0.00 0.00 42.92 38.80 3gni s ASP 427 CO 0.23 -2.03 1.16 -0.62 -0.00 0.00 0.00 175.17 173.92 3gni s ASP 428 N -2.61 4.91 0.61 2.11 3.68 -1.26 -4.97 116.67 119.14 3gni s ASP 428 Ca 0.68 2.19 -0.19 0.00 2.13 0.00 0.00 52.55 57.36 3gni s ASP 428 Cb -0.22 -2.57 -0.03 0.00 -1.45 0.00 0.00 42.92 38.65 3gni s ASP 428 CO 0.47 -1.77 1.28 0.79 0.13 0.00 0.00 175.17 176.07 3gni n TRP 429 N -2.24 1.93 -4.43 -5.34 5.03 -1.26 -5.02 117.44 106.10 3gni n TRP 429 Ca 0.12 0.43 -0.33 0.00 3.03 0.00 0.00 57.50 60.74 3gni n TRP 429 Cb 0.51 -2.28 -0.15 0.00 -1.03 0.00 0.00 31.31 28.36 3gni n TRP 429 CO 0.00 0.00 0.00 -1.83 -0.03 0.00 0.00 177.69 175.83 3gni s GLU 430 N -3.15 3.30 0.00 -0.99 -1.05 -1.26 -5.33 118.70 110.22 3gni s GLU 430 Ca 0.79 -0.70 0.12 0.00 -0.15 0.00 0.00 54.97 55.02 3gni s GLU 430 Cb -0.40 -2.72 0.09 0.00 -0.44 0.00 0.00 34.13 30.67 3gni s GLU 430 CO 0.44 0.02 0.87 1.19 0.95 0.00 0.00 175.26 178.73