#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3dgg s ILE 2 N 0.00 3.50 0.06 0.53 1.01 -1.26 -4.86 121.20 120.17 3dgg s ILE 2 Ca 0.00 -0.71 0.03 0.00 0.00 0.00 0.00 60.65 59.98 3dgg s ILE 2 Cb 0.00 -2.74 -0.04 0.00 0.01 0.00 0.00 42.46 39.70 3dgg s ILE 2 CO 0.00 0.22 0.01 0.68 0.00 0.00 0.00 174.94 175.85 3dgg s VAL 3 N 1.45 4.14 -0.23 2.92 -7.23 -1.26 -4.90 120.40 115.28 3dgg s VAL 3 Ca 0.03 -0.82 -0.06 0.00 -1.81 0.00 0.00 61.98 59.33 3dgg s VAL 3 Cb -0.16 -2.93 -0.02 0.00 0.56 0.00 0.00 36.38 33.83 3dgg s VAL 3 CO -0.01 0.21 0.01 -0.76 -0.31 0.00 0.00 175.10 174.25 3dgg s LEU 4 N -2.04 3.17 -0.37 1.32 1.43 -1.26 -1.34 118.68 119.58 3dgg s LEU 4 Ca 0.24 -0.30 -0.11 0.00 -1.03 0.00 0.00 54.13 52.93 3dgg s LEU 4 Cb -0.12 -1.83 0.02 0.00 0.03 0.00 0.00 46.19 44.29 3dgg s LEU 4 CO 0.16 -0.02 0.21 -0.89 0.23 0.00 0.00 176.35 176.04 3dgg s THR 5 N 1.52 4.69 -0.10 5.49 2.01 0.92 -4.56 115.64 125.62 3dgg s THR 5 Ca 0.06 -0.77 -0.10 0.00 0.31 0.00 0.00 61.69 61.19 3dgg s THR 5 Cb -0.15 -3.59 -0.05 0.00 0.01 0.00 0.00 72.50 68.73 3dgg s THR 5 CO 0.00 -0.21 0.22 -1.58 -0.69 0.00 0.00 174.62 172.37 3dgg s GLN 6 N 1.58 3.72 -0.02 4.92 0.74 -1.26 -0.91 119.66 128.43 3dgg s GLN 6 Ca 0.03 0.02 -0.11 0.00 0.05 0.00 0.00 55.36 55.34 3dgg s GLN 6 Cb -0.19 -3.25 0.02 0.00 1.10 0.00 0.00 33.01 30.69 3dgg s GLN 6 CO 0.07 0.65 0.25 -1.54 -0.55 0.00 0.00 175.29 174.17 3dgg s SER 7 N -0.74 -0.14 0.80 6.67 1.04 -0.31 -4.61 113.70 116.42 3dgg s SER 7 Ca 0.17 0.07 -0.12 0.00 0.48 0.00 0.00 55.95 56.55 3dgg s SER 7 Cb -0.13 0.32 0.08 0.00 0.10 0.00 0.00 66.02 66.38 3dgg s SER 7 CO 0.06 -0.36 1.16 -2.16 0.98 0.00 0.00 173.24 172.92 3dgg s PRO 8 N -1.09 2.02 0.21 4.02 0.04 -1.26 -1.28 135.00 137.65 3dgg s PRO 8 Ca -0.12 0.10 -0.06 0.00 0.04 0.00 0.00 61.00 60.96 3dgg s PRO 8 Cb -0.05 -1.97 0.18 0.00 0.04 0.00 0.00 34.50 32.70 3dgg s PRO 8 CO 0.03 -1.55 1.68 0.00 0.04 0.00 0.00 177.00 177.20 3dgg h ALA 9 N -1.00 0.93 -3.76 8.56 0.00 -1.81 -3.41 119.26 118.76 3dgg h ALA 9 Ca -0.46 -0.31 -0.34 0.00 0.00 0.00 0.00 54.91 53.80 3dgg h ALA 9 Cb 1.33 -0.20 -0.27 0.00 0.00 0.00 0.00 17.79 18.65 3dgg h ALA 9 CO 0.65 0.63 -0.76 -1.12 0.00 0.00 0.00 179.25 178.66 3dgg s SER 10 N -6.64 0.85 -0.03 0.00 0.01 -1.26 -0.92 113.70 105.70 3dgg s SER 10 Ca -0.10 -0.24 -0.01 0.00 1.31 0.00 0.00 55.95 56.91 3dgg s SER 10 Cb 0.14 -0.06 0.03 0.00 0.21 0.00 0.00 66.02 66.34 3dgg s SER 10 CO 0.84 0.01 0.03 -0.22 0.41 0.00 0.00 173.24 174.31 3dgg s LEU 11 N -0.54 0.78 -0.20 2.44 2.96 -0.19 -4.92 118.68 119.01 3dgg s LEU 11 Ca -0.00 0.02 -0.04 0.00 -0.22 0.00 0.00 54.13 53.90 3dgg s LEU 11 Cb -0.05 -0.16 -0.01 0.00 0.50 0.00 0.00 46.19 46.47 3dgg s LEU 11 CO 0.00 -0.16 -0.05 0.00 -1.32 0.00 0.00 176.35 174.82 3dgg s ALA 12 N 1.46 2.84 -0.02 5.97 0.00 -1.26 -0.41 121.76 130.34 3dgg s ALA 12 Ca -0.04 -1.08 0.03 0.00 0.00 0.00 0.00 51.96 50.88 3dgg s ALA 12 Cb -0.13 -1.64 -0.00 0.00 0.00 0.00 0.00 23.12 21.35 3dgg s ALA 12 CO -0.03 -0.25 -0.11 0.08 0.00 0.00 0.00 175.76 175.45 3dgg s VAL 13 N 1.17 0.95 0.40 0.00 1.01 -0.10 -4.72 120.40 119.10 3dgg s VAL 13 Ca 0.02 -0.48 -0.26 0.00 0.00 0.00 0.00 61.98 61.26 3dgg s VAL 13 Cb -0.14 -0.82 -0.09 0.00 0.00 0.00 0.00 36.38 35.33 3dgg s VAL 13 CO -0.01 0.28 1.27 -0.44 0.00 0.00 0.00 175.10 176.21 3dgg s SER 14 N -0.02 6.40 -0.04 3.32 0.01 -1.26 -2.13 113.70 119.98 3dgg s SER 14 Ca -0.00 2.59 -0.35 0.00 1.31 0.00 0.00 55.95 59.50 3dgg s SER 14 Cb -0.07 -2.63 -0.14 0.00 0.21 0.00 0.00 66.02 63.39 3dgg s SER 14 CO 0.00 -0.78 1.72 -0.11 0.41 0.00 0.00 173.24 174.48 3dgg n LEU 15 N 0.19 2.95 0.00 2.44 7.94 -1.26 -0.62 117.00 128.65 3dgg n LEU 15 Ca 0.03 1.04 0.00 0.00 -1.11 0.00 0.00 56.01 55.97 3dgg n LEU 15 Cb 0.44 -1.32 0.00 0.00 0.53 0.00 0.00 43.42 43.07 3dgg n LEU 15 CO 0.55 -0.30 0.00 0.61 -1.11 0.00 0.00 177.39 177.14 3dgg n GLY 16 N 3.89 2.95 3.37 -3.96 0.00 0.10 -4.95 105.19 106.60 3dgg n GLY 16 Ca 0.21 -0.21 -0.30 0.00 0.00 0.00 0.00 46.02 45.72 3dgg n GLY 16 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 3dgg s GLN 17 N 0.00 -2.45 -0.14 1.61 -0.21 0.21 -3.96 119.66 114.71 3dgg s GLN 17 Ca 0.00 0.18 -0.07 0.00 0.02 0.00 0.00 55.36 55.49 3dgg s GLN 17 Cb 0.00 -1.43 -0.04 0.00 1.00 0.00 0.00 33.01 32.54 3dgg s GLN 17 CO 0.00 -4.57 0.11 0.50 -2.12 0.00 0.00 175.29 169.21 3dgg s ARG 18 N -5.05 3.65 -0.17 2.91 3.52 -1.26 -0.94 118.95 121.60 3dgg s ARG 18 Ca 0.69 -0.22 -0.08 0.00 -0.13 0.00 0.00 55.73 55.99 3dgg s ARG 18 Cb -0.14 -3.20 -0.04 0.00 -1.56 0.00 0.00 34.95 30.01 3dgg s ARG 18 CO 0.58 0.58 0.09 0.00 -0.81 0.00 0.00 175.30 175.74 3dgg s ALA 19 N -0.47 3.54 -0.19 6.12 0.00 0.29 -4.97 121.76 126.09 3dgg s ALA 19 Ca 0.11 -0.72 0.01 0.00 0.00 0.00 0.00 51.96 51.36 3dgg s ALA 19 Cb -0.12 -1.96 0.04 0.00 0.00 0.00 0.00 23.12 21.08 3dgg s ALA 19 CO 0.02 0.26 -0.11 0.99 0.00 0.00 0.00 175.76 176.92 3dgg s THR 20 N 0.09 1.62 -0.10 0.00 2.01 -1.26 -1.19 115.64 116.80 3dgg s THR 20 Ca 0.07 -0.94 -0.01 0.00 0.31 0.00 0.00 61.69 61.13 3dgg s THR 20 Cb -0.12 -1.67 -0.03 0.00 0.01 0.00 0.00 72.50 70.70 3dgg s THR 20 CO 0.00 0.22 -0.07 -0.63 -0.69 0.00 0.00 174.62 173.45 3dgg s ILE 21 N 1.42 3.69 0.03 1.82 1.01 0.39 -4.82 121.20 124.75 3dgg s ILE 21 Ca -0.00 -0.46 0.06 0.00 0.00 0.00 0.00 60.65 60.25 3dgg s ILE 21 Cb -0.16 -2.54 -0.03 0.00 0.01 0.00 0.00 42.46 39.74 3dgg s ILE 21 CO -0.09 0.56 -0.15 -0.55 0.00 0.00 0.00 174.94 174.72 3dgg s SER 22 N -0.38 4.03 -0.06 3.58 0.15 -0.41 -0.64 113.70 119.98 3dgg s SER 22 Ca 0.06 -0.34 -0.00 0.00 0.70 0.00 0.00 55.95 56.36 3dgg s SER 22 Cb -0.12 -0.74 0.03 0.00 -1.71 0.00 0.00 66.02 63.47 3dgg s SER 22 CO 0.02 0.26 -0.02 0.00 1.20 0.00 0.00 173.24 174.71 3dgg s ARG 24 N 1.44 3.06 -0.06 0.00 3.52 -0.09 -0.61 118.95 126.21 3dgg s ARG 24 Ca -0.03 -0.82 -0.10 0.00 -0.13 0.00 0.00 55.73 54.65 3dgg s ARG 24 Cb -0.13 -2.38 -0.05 0.00 -1.56 0.00 0.00 34.95 30.83 3dgg s ARG 24 CO -0.03 0.23 0.25 0.00 -0.81 0.00 0.00 175.30 174.95 3dgg s ALA 25 N 0.24 3.81 0.40 6.12 0.00 0.51 -0.05 121.76 132.78 3dgg s ALA 25 Ca -0.14 -0.48 0.21 0.00 0.00 0.00 0.00 51.96 51.55 3dgg s ALA 25 Cb -0.17 -2.13 1.16 0.00 0.00 0.00 0.00 23.12 21.98 3dgg s ALA 25 CO 0.07 0.58 1.99 0.66 0.00 0.00 0.00 175.76 179.05 3dgg h SER 26 N 4.75 0.00 -4.34 0.00 4.64 -1.54 -3.44 113.55 113.62 3dgg h SER 26 Ca -0.53 0.00 -0.34 0.00 -0.47 0.00 0.00 61.79 60.45 3dgg h SER 26 Cb 1.22 0.00 -0.14 0.00 -0.31 0.00 0.00 62.40 63.17 3dgg h SER 26 CO 0.60 0.19 -0.64 -0.54 -0.87 0.00 0.00 176.83 175.58 3dgg s LYS 27 N -4.27 1.32 0.24 4.77 1.02 -1.26 -4.99 119.74 116.56 3dgg s LYS 27 Ca -0.03 -1.68 -0.30 0.00 0.02 0.00 0.00 55.97 53.98 3dgg s LYS 27 Cb 0.14 -0.35 -0.09 0.00 -0.52 0.00 0.00 37.83 37.01 3dgg s LYS 27 CO 0.64 -0.21 1.27 0.45 -0.92 0.00 0.00 175.35 176.59 3dgg s SER 28 N -3.28 6.94 -0.27 2.83 0.15 -1.26 -4.65 113.70 114.16 3dgg s SER 28 Ca 0.32 2.43 0.11 0.00 0.70 0.00 0.00 55.95 59.52 3dgg s SER 28 Cb 0.07 -2.62 0.57 0.00 -1.71 0.00 0.00 66.02 62.33 3dgg s SER 28 CO 0.10 -0.46 1.55 1.33 1.20 0.00 0.00 173.24 176.96 3dgg n VAL 29 N 1.99 2.58 -1.07 4.45 0.24 -0.79 -4.56 118.33 121.17 3dgg n VAL 29 Ca 0.03 -2.19 0.03 0.00 -2.04 0.00 0.00 64.34 60.17 3dgg n VAL 29 Cb 0.43 -0.32 0.04 0.00 -1.47 0.00 0.00 33.84 32.52 3dgg n VAL 29 CO 0.00 0.00 0.00 -1.20 -2.14 0.00 0.00 176.83 173.49 3dgg n SER 30 N -0.75 1.08 0.12 -1.34 7.64 -1.26 -3.35 113.62 115.75 3dgg n SER 30 Ca 0.33 -2.05 0.12 0.00 1.01 0.00 0.00 58.87 58.27 3dgg n SER 30 Cb 1.10 -0.17 0.47 0.00 -1.01 0.00 0.00 64.21 64.60 3dgg n SER 30 CO 0.00 0.00 0.00 0.35 -3.01 0.00 0.00 175.04 172.38 3dgg n THR 31 N -0.50 0.76 0.25 0.44 -2.24 -1.26 -3.38 114.28 108.35 3dgg n THR 31 Ca 0.04 0.10 0.03 0.00 -2.27 0.00 0.00 64.05 61.96 3dgg n THR 31 Cb 0.54 -1.01 -0.04 0.00 -2.10 0.00 0.00 70.33 67.72 3dgg n THR 31 CO 0.00 0.00 0.00 -0.24 -0.57 0.00 0.00 175.07 174.26 3dgg n SER 32 N -2.21 1.05 0.00 3.42 2.88 -1.26 -5.06 113.62 112.43 3dgg n SER 32 Ca 0.03 -0.51 0.00 0.00 -1.33 0.00 0.00 58.87 57.06 3dgg n SER 32 Cb 0.28 1.08 0.00 0.00 -0.75 0.00 0.00 64.21 64.82 3dgg n SER 32 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 3dgg n GLY 33 N 1.39 -0.22 3.84 0.46 0.00 -1.22 -5.12 105.19 104.32 3dgg n GLY 33 Ca 0.01 0.16 -0.35 0.00 0.00 0.00 0.00 46.02 45.84 3dgg n GLY 33 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 3dgg s TYR 34 N 0.00 3.58 -0.69 1.61 2.02 -1.26 -4.97 117.35 117.64 3dgg s TYR 34 Ca 0.00 1.10 -0.24 0.00 -0.37 0.00 0.00 57.07 57.55 3dgg s TYR 34 Cb 0.00 -2.40 0.06 0.00 -0.40 0.00 0.00 41.96 39.21 3dgg s TYR 34 CO 0.00 0.38 1.08 -1.12 -1.57 0.00 0.00 175.55 174.32 3dgg s SER 35 N -1.80 6.17 -1.22 2.29 0.01 -1.26 -4.48 113.70 113.40 3dgg s SER 35 Ca 0.40 -0.79 -0.08 0.00 1.31 0.00 0.00 55.95 56.80 3dgg s SER 35 Cb -0.15 -2.47 -0.08 0.00 0.21 0.00 0.00 66.02 63.54 3dgg s SER 35 CO 0.20 -1.59 2.57 -1.22 0.41 0.00 0.00 173.24 173.61 3dgg n TYR 36 N 8.32 1.82 -5.21 2.43 4.01 -1.21 -3.72 117.16 123.59 3dgg n TYR 36 Ca -0.01 -2.48 -0.32 0.00 -0.16 0.00 0.00 57.90 54.92 3dgg n TYR 36 Cb 0.47 -2.06 -0.17 0.00 -0.31 0.00 0.00 39.34 37.27 3dgg n TYR 36 CO 0.00 0.00 0.00 -1.64 -0.46 0.00 0.00 176.86 174.76 3dgg s MET 37 N 2.70 2.90 0.17 -0.72 -1.94 -1.26 -2.75 119.30 118.40 3dgg s MET 37 Ca 0.55 -0.88 0.09 0.00 -1.71 0.00 0.00 55.69 53.74 3dgg s MET 37 Cb 0.15 -2.27 -0.04 0.00 2.01 0.00 0.00 34.83 34.67 3dgg s MET 37 CO -0.05 0.25 -0.18 -1.01 -0.01 0.00 0.00 175.02 174.03 3dgg s HIS 38 N 0.16 1.83 -0.03 -0.03 3.76 -0.31 0.18 115.29 120.86 3dgg s HIS 38 Ca -0.13 -0.47 0.06 0.00 -0.15 0.00 0.00 55.06 54.37 3dgg s HIS 38 Cb -0.16 -0.91 -0.01 0.00 1.11 0.00 0.00 32.58 32.61 3dgg s HIS 38 CO 0.07 0.34 -0.20 -1.58 -0.85 0.00 0.00 174.74 172.52 3dgg s TRP 39 N -2.09 1.91 0.10 1.40 0.52 -0.13 -0.85 118.94 119.80 3dgg s TRP 39 Ca 0.16 -0.46 0.06 0.00 0.02 0.00 0.00 56.10 55.89 3dgg s TRP 39 Cb -0.05 -1.25 -0.03 0.00 -1.15 0.00 0.00 33.47 30.98 3dgg s TRP 39 CO 0.07 -0.10 -0.16 0.71 0.02 0.00 0.00 176.95 177.48 3dgg s TYR 40 N -0.27 1.46 -0.07 -1.98 1.51 0.43 -1.10 117.35 117.33 3dgg s TYR 40 Ca 0.02 -0.47 0.05 0.00 -1.01 0.00 0.00 57.07 55.67 3dgg s TYR 40 Cb -0.10 -0.80 -0.01 0.00 -0.11 0.00 0.00 41.96 40.94 3dgg s TYR 40 CO 0.01 0.13 -0.23 -1.14 -1.11 0.00 0.00 175.55 173.22 3dgg s GLN 41 N -2.05 2.69 -0.06 -0.62 0.74 0.56 -1.11 119.66 119.81 3dgg s GLN 41 Ca 0.04 -0.86 0.02 0.00 0.05 0.00 0.00 55.36 54.61 3dgg s GLN 41 Cb -0.09 -2.25 0.02 0.00 1.10 0.00 0.00 33.01 31.79 3dgg s GLN 41 CO 0.03 0.36 -0.10 -1.14 -0.55 0.00 0.00 175.29 173.89 3dgg s GLN 42 N -0.11 1.49 0.15 1.67 0.74 0.26 0.90 119.66 124.76 3dgg s GLN 42 Ca -0.05 -0.34 0.07 0.00 0.05 0.00 0.00 55.36 55.09 3dgg s GLN 42 Cb -0.14 -1.28 -0.04 0.00 1.10 0.00 0.00 33.01 32.65 3dgg s GLN 42 CO 0.04 -0.00 0.00 0.15 -0.55 0.00 0.00 175.29 174.93 3dgg s LYS 43 N 0.74 2.45 0.21 1.67 1.02 -1.26 -1.63 119.74 122.94 3dgg s LYS 43 Ca -0.13 -1.02 -0.32 0.00 0.02 0.00 0.00 55.97 54.52 3dgg s LYS 43 Cb -0.15 -2.42 -0.15 0.00 -0.52 0.00 0.00 37.83 34.59 3dgg s LYS 43 CO 0.03 0.48 1.21 -2.30 -0.92 0.00 0.00 175.35 173.84 3dgg n PRO 44 N 0.08 1.44 -1.10 -1.68 -0.02 -1.26 -1.98 135.00 130.48 3dgg n PRO 44 Ca -0.10 0.51 -0.03 0.00 -2.02 0.00 0.00 63.50 61.86 3dgg n PRO 44 Cb 0.54 -2.03 -0.01 0.00 -0.02 0.00 0.00 33.50 31.97 3dgg n PRO 44 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 3dgg n GLY 45 N 1.92 0.62 3.15 -1.23 0.00 -1.26 -5.01 105.19 103.37 3dgg n GLY 45 Ca 0.13 -0.35 -0.14 0.00 0.00 0.00 0.00 46.02 45.66 3dgg n GLY 45 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 3dgg s GLN 46 N -1.60 0.77 0.88 1.61 -0.21 -0.84 -5.16 119.66 115.11 3dgg s GLN 46 Ca 0.00 -1.07 -0.11 0.00 0.02 0.00 0.00 55.36 54.20 3dgg s GLN 46 Cb 0.00 -0.45 0.12 0.00 1.00 0.00 0.00 33.01 33.68 3dgg s GLN 46 CO 0.00 0.07 1.10 -1.25 -2.12 0.00 0.00 175.29 173.09 3dgg s PRO 47 N -2.57 1.38 0.51 2.91 0.04 -1.26 -4.56 135.00 131.44 3dgg s PRO 47 Ca 0.02 1.12 -0.23 0.00 0.04 0.00 0.00 61.00 61.95 3dgg s PRO 47 Cb -0.04 -1.80 -0.06 0.00 0.04 0.00 0.00 34.50 32.64 3dgg s PRO 47 CO -0.00 -2.24 1.34 -2.14 0.04 0.00 0.00 177.00 173.99 3dgg s PRO 48 N -4.82 3.38 -0.12 0.56 0.02 -1.26 -4.57 135.00 128.19 3dgg s PRO 48 Ca 0.64 2.20 0.00 0.00 0.02 0.00 0.00 61.00 63.86 3dgg s PRO 48 Cb -0.19 -2.38 -0.02 0.00 0.02 0.00 0.00 34.50 31.93 3dgg s PRO 48 CO 0.57 -0.98 -0.13 0.21 -0.33 0.00 0.00 177.00 176.34 3dgg s LYS 49 N -2.75 3.31 0.03 5.54 2.20 0.26 -4.91 119.74 123.43 3dgg s LYS 49 Ca 0.67 -0.69 -0.30 0.00 -0.36 0.00 0.00 55.97 55.29 3dgg s LYS 49 Cb -0.39 -2.61 -0.05 0.00 -1.51 0.00 0.00 37.83 33.27 3dgg s LYS 49 CO 0.47 0.25 1.27 -1.17 -0.36 0.00 0.00 175.35 175.81 3dgg s LEU 50 N 0.26 4.34 -0.08 5.43 2.96 -1.26 -0.32 118.68 130.00 3dgg s LEU 50 Ca -0.09 2.04 -0.07 0.00 -0.22 0.00 0.00 54.13 55.78 3dgg s LEU 50 Cb -0.16 -3.57 -0.04 0.00 0.50 0.00 0.00 46.19 42.92 3dgg s LEU 50 CO 0.05 -0.57 -0.17 0.18 -1.32 0.00 0.00 176.35 174.53 3dgg n LEU 51 N 4.45 1.19 -4.18 -0.68 4.77 -0.25 -4.76 117.00 117.54 3dgg n LEU 51 Ca 0.10 0.19 -0.29 0.00 -0.03 0.00 0.00 56.01 55.98 3dgg n LEU 51 Cb 0.45 -0.45 -0.17 0.00 -2.33 0.00 0.00 43.42 40.93 3dgg n LEU 51 CO 0.56 -0.11 -0.53 -0.63 -1.33 0.00 0.00 177.39 175.36 3dgg s ILE 52 N -2.32 1.76 0.13 -0.08 -1.09 -1.16 -0.48 121.20 117.95 3dgg s ILE 52 Ca -0.16 -0.87 0.09 0.00 -2.23 0.00 0.00 60.65 57.49 3dgg s ILE 52 Cb 0.05 -1.53 -0.04 0.00 -1.58 0.00 0.00 42.46 39.36 3dgg s ILE 52 CO 0.22 0.50 -0.19 -0.72 -1.23 0.00 0.00 174.94 173.51 3dgg s TYR 53 N 0.24 2.49 -1.48 3.97 -0.85 0.78 -0.95 117.35 121.55 3dgg s TYR 53 Ca -0.12 -0.29 -0.05 0.00 -0.52 0.00 0.00 57.07 56.09 3dgg s TYR 53 Cb -0.16 -1.31 0.04 0.00 0.38 0.00 0.00 41.96 40.92 3dgg s TYR 53 CO 0.06 0.39 0.56 1.28 -1.52 0.00 0.00 175.55 176.32 3dgg n LEU 54 N 0.74 -2.18 0.00 -3.49 4.77 -0.92 -1.27 117.00 114.66 3dgg n LEU 54 Ca -0.16 -0.98 0.00 0.00 -0.03 0.00 0.00 56.01 54.85 3dgg n LEU 54 Cb 0.53 -2.24 0.00 0.00 -2.33 0.00 0.00 43.42 39.38 3dgg n LEU 54 CO 0.28 0.40 0.00 0.00 -1.33 0.00 0.00 177.39 176.74 3dgg n ALA 55 N -4.42 0.00 -0.12 -1.18 0.00 0.13 -4.37 120.51 110.55 3dgg n ALA 55 Ca -0.19 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.25 3dgg n ALA 55 Cb 0.63 0.00 0.00 0.00 0.00 0.00 0.00 19.45 20.08 3dgg n ALA 55 CO 0.00 0.00 0.00 -1.13 0.00 0.00 0.00 177.50 176.37 3dgg n SER 56 N 2.20 0.16 -4.67 0.00 3.41 -1.21 -3.05 113.62 110.46 3dgg n SER 56 Ca 0.00 -0.49 -0.37 0.00 -0.26 0.00 0.00 58.87 57.75 3dgg n SER 56 Cb 0.00 0.42 -0.09 0.00 -0.26 0.00 0.00 64.21 64.28 3dgg n SER 56 CO 0.00 0.00 0.00 0.20 -0.16 0.00 0.00 175.04 175.08 3dgg s ASN 57 N -0.42 6.26 0.15 4.04 -0.87 -0.40 -4.56 114.94 119.15 3dgg s ASN 57 Ca 0.00 0.29 -0.30 0.00 -1.57 0.00 0.00 52.86 51.28 3dgg s ASN 57 Cb 0.00 -2.16 -0.08 0.00 -0.02 0.00 0.00 41.25 38.99 3dgg s ASN 57 CO 0.00 0.00 1.26 -0.76 -2.57 0.00 0.00 177.10 175.03 3dgg s LEU 58 N 1.17 4.41 0.66 0.60 1.43 -1.26 -0.16 118.68 125.54 3dgg s LEU 58 Ca 0.13 2.24 -0.17 0.00 -1.03 0.00 0.00 54.13 55.30 3dgg s LEU 58 Cb -0.14 -3.60 0.00 0.00 0.03 0.00 0.00 46.19 42.48 3dgg s LEU 58 CO 0.06 -0.48 1.19 -1.61 0.23 0.00 0.00 176.35 175.74 3dgg s GLU 59 N 0.30 2.58 0.28 1.70 0.41 0.37 -4.88 118.70 119.47 3dgg s GLU 59 Ca 0.57 1.73 -0.30 0.00 -0.41 0.00 0.00 54.97 56.56 3dgg s GLU 59 Cb -0.34 -1.89 -0.11 0.00 -1.78 0.00 0.00 34.13 30.02 3dgg s GLU 59 CO 0.34 -1.49 1.51 -1.12 -0.49 0.00 0.00 175.26 174.01 3dgg s SER 60 N -1.94 6.51 0.00 -0.19 0.01 -1.26 -2.54 113.70 114.28 3dgg s SER 60 Ca 0.74 2.83 0.00 0.00 1.31 0.00 0.00 55.95 60.83 3dgg s SER 60 Cb -0.28 -2.63 0.00 0.00 0.21 0.00 0.00 66.02 63.31 3dgg s SER 60 CO 0.40 -0.80 0.00 0.61 0.41 0.00 0.00 173.24 173.85 3dgg n GLY 61 N 1.97 0.79 3.69 3.44 0.00 -1.26 -5.03 105.19 108.80 3dgg n GLY 61 Ca 0.07 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 45.71 3dgg n GLY 61 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 3dgg s VAL 62 N -2.99 5.24 0.62 1.61 1.01 -1.05 -5.05 120.40 119.79 3dgg s VAL 62 Ca 0.00 0.65 -0.19 0.00 0.00 0.00 0.00 61.98 62.44 3dgg s VAL 62 Cb 0.00 -3.69 -0.02 0.00 0.00 0.00 0.00 36.38 32.66 3dgg s VAL 62 CO 0.00 0.31 1.30 -2.84 0.00 0.00 0.00 175.10 173.87 3dgg s PRO 63 N 0.94 2.71 0.00 2.72 0.02 -1.26 -4.87 135.00 135.27 3dgg s PRO 63 Ca 0.18 2.07 0.13 0.00 0.02 0.00 0.00 61.00 63.40 3dgg s PRO 63 Cb -0.14 -1.93 0.69 0.00 0.02 0.00 0.00 34.50 33.13 3dgg s PRO 63 CO 0.07 -1.47 1.26 0.00 -0.33 0.00 0.00 177.00 176.53 3dgg n ALA 64 N -1.70 1.84 -0.23 -1.55 0.00 -1.26 -2.18 120.51 115.43 3dgg n ALA 64 Ca 0.15 -0.07 0.06 0.00 0.00 0.00 0.00 53.44 53.58 3dgg n ALA 64 Cb 0.48 -1.21 0.32 0.00 0.00 0.00 0.00 19.45 19.04 3dgg n ALA 64 CO 0.00 0.00 0.00 -0.09 0.00 0.00 0.00 177.50 177.41 3dgg h ARG 65 N 0.00 0.81 -6.20 0.00 2.43 -1.89 -3.42 114.38 106.11 3dgg h ARG 65 Ca 0.00 -0.05 -0.56 0.00 -0.81 0.00 0.00 59.98 58.57 3dgg h ARG 65 Cb 0.07 -0.18 -0.05 0.00 -0.42 0.00 0.00 29.97 29.39 3dgg h ARG 65 CO 0.00 0.53 0.07 -0.06 -1.51 0.00 0.00 179.97 179.00 3dgg s PHE 66 N -5.75 3.72 0.00 2.20 0.08 -0.93 -2.21 117.98 115.11 3dgg s PHE 66 Ca -0.10 1.34 -0.07 0.00 0.12 0.00 0.00 56.93 58.22 3dgg s PHE 66 Cb 0.20 -2.70 0.00 0.00 -0.57 0.00 0.00 43.02 39.95 3dgg s PHE 66 CO 0.78 0.34 0.13 -1.54 -0.10 0.00 0.00 175.22 174.83 3dgg s SER 67 N -0.24 0.04 0.06 1.36 1.04 -0.29 -4.98 113.70 110.69 3dgg s SER 67 Ca 0.34 -0.22 0.07 0.00 0.48 0.00 0.00 55.95 56.62 3dgg s SER 67 Cb -0.19 0.20 -0.03 0.00 0.10 0.00 0.00 66.02 66.10 3dgg s SER 67 CO 0.20 -0.36 -0.19 -0.83 0.98 0.00 0.00 173.24 173.04 3dgg s GLY 68 N -1.38 1.07 0.31 7.32 0.00 -1.26 -0.25 107.32 113.14 3dgg s GLY 68 Ca -0.15 -1.06 -0.02 0.00 0.00 0.00 0.00 44.72 43.49 3dgg s GLY 68 CO 0.01 -1.02 0.40 -1.35 0.00 0.00 0.00 173.10 171.14 3dgg s SER 69 N -1.41 0.78 0.00 1.64 1.04 -0.43 -4.21 113.70 111.12 3dgg s SER 69 Ca 0.05 -1.43 0.00 0.00 0.48 0.00 0.00 55.95 55.05 3dgg s SER 69 Cb -0.09 0.60 0.00 0.00 0.10 0.00 0.00 66.02 66.63 3dgg s SER 69 CO 0.02 -1.18 0.00 0.61 0.98 0.00 0.00 173.24 173.67 3dgg n GLY 70 N -0.51 2.68 3.55 7.32 0.00 -1.26 -1.24 105.19 115.73 3dgg n GLY 70 Ca 0.02 -2.04 -0.10 0.00 0.00 0.00 0.00 46.02 43.90 3dgg n GLY 70 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 3dgg s SER 71 N 0.00 -0.44 0.99 1.61 1.04 -1.05 -4.94 113.70 110.91 3dgg s SER 71 Ca 0.00 -0.16 0.00 0.00 0.48 0.00 0.00 55.95 56.27 3dgg s SER 71 Cb 0.00 0.58 0.00 0.00 0.10 0.00 0.00 66.02 66.70 3dgg s SER 71 CO 0.00 -0.98 0.00 0.61 0.98 0.00 0.00 173.24 173.85 3dgg n GLY 72 N -0.38 1.59 0.01 7.32 0.00 -1.26 -3.03 105.19 109.44 3dgg n GLY 72 Ca -0.12 -0.04 0.07 0.00 0.00 0.00 0.00 46.02 45.93 3dgg n GLY 72 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 3dgg n THR 73 N 0.00 0.00 -4.49 2.61 -2.24 -1.26 -1.88 114.28 107.01 3dgg n THR 73 Ca 0.00 -0.31 -0.33 0.00 -2.27 0.00 0.00 64.05 61.14 3dgg n THR 73 Cb 0.00 0.27 -0.16 0.00 -2.10 0.00 0.00 70.33 68.34 3dgg n THR 73 CO 0.00 0.00 0.00 -1.81 -0.57 0.00 0.00 175.07 172.69 3dgg s ASP 74 N -3.49 3.47 0.03 3.42 1.11 -1.17 -0.36 116.67 119.68 3dgg s ASP 74 Ca -0.04 -0.53 0.04 0.00 0.18 0.00 0.00 52.55 52.21 3dgg s ASP 74 Cb 0.09 -1.53 -0.02 0.00 1.07 0.00 0.00 42.92 42.54 3dgg s ASP 74 CO 0.59 0.07 -0.12 -0.36 1.18 0.00 0.00 175.17 176.52 3dgg s PHE 75 N 0.90 1.08 -0.01 4.23 0.40 0.22 -2.52 117.98 122.27 3dgg s PHE 75 Ca -0.04 -0.35 0.03 0.00 -0.60 0.00 0.00 56.93 55.97 3dgg s PHE 75 Cb -0.15 -0.64 -0.01 0.00 0.51 0.00 0.00 43.02 42.73 3dgg s PHE 75 CO -0.02 0.01 -0.11 0.95 0.70 0.00 0.00 175.22 176.76 3dgg s THR 76 N -0.85 0.85 -0.22 0.64 -4.23 -0.37 -0.63 115.64 110.84 3dgg s THR 76 Ca 0.00 -0.45 -0.07 0.00 -1.18 0.00 0.00 61.69 59.99 3dgg s THR 76 Cb -0.08 -0.72 -0.04 0.00 1.34 0.00 0.00 72.50 73.01 3dgg s THR 76 CO 0.01 0.25 0.07 -0.22 -0.54 0.00 0.00 174.62 174.18 3dgg s LEU 77 N -0.17 3.63 -0.08 4.79 2.96 0.18 -1.31 118.68 128.68 3dgg s LEU 77 Ca 0.03 -0.06 0.02 0.00 -0.22 0.00 0.00 54.13 53.90 3dgg s LEU 77 Cb -0.05 -1.94 -0.02 0.00 0.50 0.00 0.00 46.19 44.67 3dgg s LEU 77 CO -0.00 0.07 -0.14 0.20 -1.32 0.00 0.00 176.35 175.15 3dgg s ASN 78 N 0.99 3.97 -0.12 3.68 0.01 0.66 -0.46 114.94 123.67 3dgg s ASN 78 Ca 0.04 -0.26 -0.00 0.00 -0.71 0.00 0.00 52.86 51.93 3dgg s ASN 78 Cb -0.14 -1.12 0.02 0.00 0.41 0.00 0.00 41.25 40.43 3dgg s ASN 78 CO 0.03 0.28 -0.10 -0.63 -1.51 0.00 0.00 177.10 175.17 3dgg s ILE 79 N -0.32 1.20 -0.29 0.60 1.01 -0.34 -1.14 121.20 121.93 3dgg s ILE 79 Ca 0.03 -0.40 -0.13 0.00 0.00 0.00 0.00 60.65 60.14 3dgg s ILE 79 Cb -0.13 -1.18 0.12 0.00 0.01 0.00 0.00 42.46 41.28 3dgg s ILE 79 CO 0.02 0.40 0.75 -2.28 0.00 0.00 0.00 174.94 173.83 3dgg s HIS 80 N 1.63 -1.07 0.19 3.97 2.46 -0.94 -0.54 115.29 120.98 3dgg s HIS 80 Ca 0.05 1.96 -0.30 0.00 0.47 0.00 0.00 55.06 57.24 3dgg s HIS 80 Cb -0.13 0.64 -0.08 0.00 -0.13 0.00 0.00 32.58 32.89 3dgg s HIS 80 CO -0.09 -0.53 1.10 -2.14 -2.47 0.00 0.00 174.74 170.61 3dgg s PRO 81 N 2.27 4.59 0.19 2.88 0.02 -1.26 -4.59 135.00 139.10 3dgg s PRO 81 Ca -0.07 1.73 -0.31 0.00 0.02 0.00 0.00 61.00 62.37 3dgg s PRO 81 Cb -0.08 -3.27 -0.10 0.00 0.02 0.00 0.00 34.50 31.07 3dgg s PRO 81 CO -0.19 0.08 1.50 0.08 -0.33 0.00 0.00 177.00 178.15 3dgg s VAL 82 N -0.30 2.68 0.32 3.83 1.01 -0.11 -4.77 120.40 123.06 3dgg s VAL 82 Ca 0.49 0.52 0.10 0.00 0.00 0.00 0.00 61.98 63.09 3dgg s VAL 82 Cb -0.30 -3.33 -0.05 0.00 0.00 0.00 0.00 36.38 32.70 3dgg s VAL 82 CO 0.35 0.06 -0.06 -1.61 0.00 0.00 0.00 175.10 173.84 3dgg s GLU 83 N 0.53 1.95 0.37 2.72 2.02 -1.26 -0.72 118.70 124.32 3dgg s GLU 83 Ca 0.65 -1.77 0.07 0.00 0.02 0.00 0.00 54.97 53.94 3dgg s GLU 83 Cb -0.42 -1.86 0.78 0.00 0.10 0.00 0.00 34.13 32.72 3dgg s GLU 83 CO 0.36 0.20 1.97 0.93 0.02 0.00 0.00 175.26 178.74 3dgg h GLU 84 N 1.97 0.69 0.00 1.61 5.08 -2.00 -0.57 114.58 121.36 3dgg h GLU 84 Ca -0.42 -0.04 0.00 0.00 -1.00 0.00 0.00 59.36 57.90 3dgg h GLU 84 Cb 1.25 -0.16 0.00 0.00 0.50 0.00 0.00 28.75 30.35 3dgg h GLU 84 CO 0.66 0.46 0.00 0.39 -1.00 0.00 0.00 179.01 179.51 3dgg n GLU 85 N -4.48 0.01 0.09 2.33 -0.58 -1.26 -2.37 120.64 114.38 3dgg n GLU 85 Ca 0.10 0.23 0.13 0.00 -0.42 0.00 0.00 57.16 57.20 3dgg n GLU 85 Cb 0.23 -1.50 0.44 0.00 -0.57 0.00 0.00 31.44 30.04 3dgg n GLU 85 CO 0.00 0.00 0.00 -0.25 -0.48 0.00 0.00 177.13 176.40 3dgg n ASP 86 N -1.49 0.68 -4.59 1.62 10.43 -0.22 -4.81 116.55 118.17 3dgg n ASP 86 Ca 0.04 0.58 -0.45 0.00 2.57 0.00 0.00 54.79 57.52 3dgg n ASP 86 Cb 0.18 -0.75 -0.04 0.00 1.84 0.00 0.00 41.12 42.34 3dgg n ASP 86 CO 0.00 0.00 0.00 0.00 -1.07 0.00 0.00 177.20 176.13 3dgg n ALA 87 N -1.74 1.52 -3.78 2.24 0.00 -1.00 -4.84 120.51 112.92 3dgg n ALA 87 Ca 0.05 -0.10 0.02 0.00 0.00 0.00 0.00 53.44 53.42 3dgg n ALA 87 Cb 0.39 -2.77 0.00 0.00 0.00 0.00 0.00 19.45 17.07 3dgg n ALA 87 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 3dgg s ALA 88 N 7.18 -2.33 -0.13 0.00 0.00 -1.04 -4.92 121.76 120.51 3dgg s ALA 88 Ca 1.00 0.40 -0.09 0.00 0.00 0.00 0.00 51.96 53.27 3dgg s ALA 88 Cb -0.49 0.59 -0.05 0.00 0.00 0.00 0.00 23.12 23.17 3dgg s ALA 88 CO 0.41 -1.10 0.18 0.99 0.00 0.00 0.00 175.76 176.25 3dgg s THR 89 N -2.22 5.41 -0.08 0.00 2.01 -0.65 -0.34 115.64 119.77 3dgg s THR 89 Ca 0.21 0.31 0.03 0.00 0.31 0.00 0.00 61.69 62.56 3dgg s THR 89 Cb 0.03 -3.48 -0.02 0.00 0.01 0.00 0.00 72.50 69.04 3dgg s THR 89 CO -0.02 0.54 -0.18 -0.31 -0.69 0.00 0.00 174.62 173.96 3dgg s TYR 90 N -0.50 2.64 -0.07 4.92 2.02 0.87 -0.58 117.35 126.65 3dgg s TYR 90 Ca 0.14 -0.51 0.03 0.00 -0.37 0.00 0.00 57.07 56.36 3dgg s TYR 90 Cb -0.12 -1.68 0.01 0.00 -0.40 0.00 0.00 41.96 39.76 3dgg s TYR 90 CO 0.03 -0.08 -0.15 0.71 -1.57 0.00 0.00 175.55 174.49 3dgg s TYR 91 N -0.20 1.68 0.49 2.71 2.02 -0.27 -0.82 117.35 122.96 3dgg s TYR 91 Ca -0.01 -0.61 -0.11 0.00 -0.37 0.00 0.00 57.07 55.98 3dgg s TYR 91 Cb -0.13 -1.19 -0.06 0.00 -0.40 0.00 0.00 41.96 40.18 3dgg s TYR 91 CO 0.03 -0.28 0.88 0.00 -1.57 0.00 0.00 175.55 174.61 3dgg s GLN 93 N -4.38 0.14 -0.36 0.00 0.74 -0.03 -0.99 119.66 114.78 3dgg s GLN 93 Ca 0.53 0.27 -0.12 0.00 0.05 0.00 0.00 55.36 56.09 3dgg s GLN 93 Cb -0.10 -0.02 0.01 0.00 1.10 0.00 0.00 33.01 34.00 3dgg s GLN 93 CO 0.39 -0.07 0.23 -1.58 -0.55 0.00 0.00 175.29 173.70 3dgg s HIS 94 N 0.50 3.22 -2.16 1.67 5.65 -0.36 -1.16 115.29 122.65 3dgg s HIS 94 Ca -0.03 -0.61 0.17 0.00 0.25 0.00 0.00 55.06 54.84 3dgg s HIS 94 Cb -0.05 -2.47 0.53 0.00 -1.18 0.00 0.00 32.58 29.41 3dgg s HIS 94 CO -0.02 -0.52 1.42 -1.13 -0.65 0.00 0.00 174.74 173.83 3dgg n SER 95 N 5.06 2.22 -4.17 9.88 3.41 -1.11 -2.47 113.62 126.43 3dgg n SER 95 Ca -0.12 -1.89 -0.25 0.00 -0.26 0.00 0.00 58.87 56.35 3dgg n SER 95 Cb 0.48 -0.22 -0.08 0.00 -0.26 0.00 0.00 64.21 64.13 3dgg n SER 95 CO 0.00 0.00 0.00 -0.13 -0.16 0.00 0.00 175.04 174.75 3dgg s ARG 96 N -1.57 1.89 0.00 4.33 1.81 -1.26 -4.83 118.95 119.32 3dgg s ARG 96 Ca 0.31 -2.14 0.00 0.00 -1.72 0.00 0.00 55.73 52.18 3dgg s ARG 96 Cb 0.17 -0.65 0.00 0.00 -0.45 0.00 0.00 34.95 34.02 3dgg s ARG 96 CO 0.24 -0.44 0.00 -0.85 -0.68 0.00 0.00 175.30 173.57 3dgg n GLU 97 N -0.88 0.00 -3.51 3.54 -0.00 -1.26 -3.93 120.64 114.60 3dgg n GLU 97 Ca -0.06 0.00 -0.00 0.00 -0.00 0.00 0.00 57.16 57.10 3dgg n GLU 97 Cb 0.65 0.00 -0.04 0.00 -0.00 0.00 0.00 31.44 32.05 3dgg n GLU 97 CO 0.00 0.00 0.00 -1.17 0.00 0.00 0.00 177.13 175.96 3dgg s LEU 98 N 0.00 -1.16 -0.03 -1.84 2.96 -1.26 -5.10 118.68 112.24 3dgg s LEU 98 Ca 0.00 1.32 -0.30 0.00 -0.22 0.00 0.00 54.13 54.93 3dgg s LEU 98 Cb 0.00 2.17 -0.05 0.00 0.50 0.00 0.00 46.19 48.82 3dgg s LEU 98 CO 0.00 -0.23 1.36 -0.76 -1.32 0.00 0.00 176.35 175.40 3dgg s LEU 99 N 2.86 4.30 0.06 -0.68 1.02 -1.25 -4.85 118.68 120.12 3dgg s LEU 99 Ca 0.02 2.02 -0.07 0.00 0.02 0.00 0.00 54.13 56.12 3dgg s LEU 99 Cb -0.13 -3.56 -0.01 0.00 0.02 0.00 0.00 46.19 42.52 3dgg s LEU 99 CO -0.19 -0.71 0.13 0.42 0.02 0.00 0.00 176.35 176.02 3dgg s THR 100 N 2.58 0.14 0.09 5.49 -4.23 -1.03 -5.03 115.64 113.65 3dgg s THR 100 Ca 0.62 -1.18 0.08 0.00 -1.18 0.00 0.00 61.69 60.03 3dgg s THR 100 Cb -0.29 -1.13 -0.04 0.00 1.34 0.00 0.00 72.50 72.38 3dgg s THR 100 CO 0.25 -0.65 -0.14 -0.36 -0.54 0.00 0.00 174.62 173.17 3dgg s PHE 101 N -3.19 2.63 1.02 3.99 0.40 -1.26 -1.22 117.98 120.34 3dgg s PHE 101 Ca -0.00 -0.21 -0.12 0.00 -0.60 0.00 0.00 56.93 56.00 3dgg s PHE 101 Cb 0.02 -1.41 0.20 0.00 0.51 0.00 0.00 43.02 42.34 3dgg s PHE 101 CO -0.07 0.37 1.08 0.20 0.70 0.00 0.00 175.22 177.50 3dgg s GLY 102 N -1.99 1.59 0.37 4.36 0.00 -0.16 -4.84 107.32 106.64 3dgg s GLY 102 Ca 0.18 -0.10 0.27 0.00 0.00 0.00 0.00 44.72 45.08 3dgg s GLY 102 CO 0.10 0.50 1.81 0.00 0.00 0.00 0.00 173.10 175.51 3dgg h ALA 103 N -2.04 1.00 0.00 3.20 0.00 -1.89 -3.45 119.26 116.09 3dgg h ALA 103 Ca -0.54 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.37 3dgg h ALA 103 Cb 1.31 0.00 0.00 0.00 0.00 0.00 0.00 17.79 19.10 3dgg h ALA 103 CO 0.53 0.00 0.00 0.41 0.00 0.00 0.00 179.25 180.19 3dgg n GLY 104 N 0.12 2.34 2.99 0.00 0.00 -1.26 -5.05 105.19 104.33 3dgg n GLY 104 Ca 0.02 -1.76 -0.26 0.00 0.00 0.00 0.00 46.02 44.02 3dgg n GLY 104 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 3dgg s THR 105 N -2.08 1.18 -0.35 2.61 2.01 -0.00 -4.59 115.64 114.41 3dgg s THR 105 Ca 0.00 -0.45 -0.17 0.00 0.31 0.00 0.00 61.69 61.37 3dgg s THR 105 Cb 0.00 -1.11 -0.01 0.00 0.01 0.00 0.00 72.50 71.39 3dgg s THR 105 CO 0.00 0.38 0.48 -0.75 -0.69 0.00 0.00 174.62 174.04 3dgg s LYS 106 N 1.05 3.61 -0.21 4.92 2.20 -0.10 -0.09 119.74 131.13 3dgg s LYS 106 Ca -0.07 -0.21 -0.16 0.00 -0.36 0.00 0.00 55.97 55.17 3dgg s LYS 106 Cb -0.15 -3.81 -0.04 0.00 -1.51 0.00 0.00 37.83 32.33 3dgg s LYS 106 CO -0.01 -0.61 0.39 -1.17 -0.36 0.00 0.00 175.35 173.58 3dgg s LEU 107 N 2.31 4.15 0.22 5.43 2.96 0.54 -1.02 118.68 133.26 3dgg s LEU 107 Ca 0.17 0.48 0.04 0.00 -0.22 0.00 0.00 54.13 54.61 3dgg s LEU 107 Cb -0.16 -2.49 -0.05 0.00 0.50 0.00 0.00 46.19 43.99 3dgg s LEU 107 CO 0.13 -0.08 -0.04 -1.61 -1.32 0.00 0.00 176.35 173.44 3dgg s GLU 108 N 1.34 1.30 0.28 1.98 2.02 0.45 -2.49 118.70 123.58 3dgg s GLU 108 Ca 0.18 -1.64 -0.19 0.00 0.02 0.00 0.00 54.97 53.35 3dgg s GLU 108 Cb -0.15 -0.70 -0.09 0.00 0.10 0.00 0.00 34.13 33.30 3dgg s GLU 108 CO 0.08 -0.03 0.77 -0.51 0.02 0.00 0.00 175.26 175.59 3dgg s LEU 109 N -3.29 4.22 0.10 1.80 1.43 -1.26 -0.92 118.68 120.76 3dgg s LEU 109 Ca 0.26 1.45 0.04 0.00 -1.03 0.00 0.00 54.13 54.84 3dgg s LEU 109 Cb 0.04 -3.87 -0.04 0.00 0.03 0.00 0.00 46.19 42.36 3dgg s LEU 109 CO 0.07 -0.08 0.10 -1.59 0.23 0.00 0.00 176.35 175.07 3dgg s LYS 110 N -2.39 2.89 0.29 1.70 -2.85 -0.91 -4.66 119.74 113.80 3dgg s LYS 110 Ca 0.49 -0.74 0.01 0.00 -1.00 0.00 0.00 55.97 54.72 3dgg s LYS 110 Cb -0.14 -2.71 -0.00 0.00 -2.06 0.00 0.00 37.83 32.92 3dgg s LYS 110 CO 0.20 0.54 0.36 2.89 0.10 0.00 0.00 175.35 179.44 3dgg n ARG 111 N 0.23 0.52 -1.71 1.78 1.85 -1.26 -4.60 116.66 113.47 3dgg n ARG 111 Ca -0.08 -2.44 -0.36 0.00 -1.00 0.00 0.00 57.85 53.97 3dgg n ARG 111 Cb 0.52 2.25 0.07 0.00 -1.05 0.00 0.00 32.46 34.25 3dgg n ARG 111 CO 0.00 0.00 0.00 0.00 -0.01 0.00 0.00 177.63 177.62 3dgg s ALA 112 N -2.72 2.34 0.45 2.89 0.00 -1.26 -4.97 121.76 118.48 3dgg s ALA 112 Ca 0.27 1.05 -0.24 0.00 0.00 0.00 0.00 51.96 53.04 3dgg s ALA 112 Cb -0.00 -3.50 -0.07 0.00 0.00 0.00 0.00 23.12 19.54 3dgg s ALA 112 CO 0.19 -1.58 1.26 -0.51 0.00 0.00 0.00 175.76 175.12 3dgg s ASP 113 N -1.65 6.09 -0.08 0.00 1.11 -1.26 -4.78 116.67 116.09 3dgg s ASP 113 Ca 0.79 2.53 -0.03 0.00 0.18 0.00 0.00 52.55 56.02 3dgg s ASP 113 Cb -0.33 -2.62 0.04 0.00 1.07 0.00 0.00 42.92 41.08 3dgg s ASP 113 CO 0.40 -0.99 0.16 0.00 1.18 0.00 0.00 175.17 175.92 3dgg s ALA 114 N -1.37 -0.23 0.45 5.23 0.00 -0.60 -4.91 121.76 120.32 3dgg s ALA 114 Ca 0.62 0.64 -0.23 0.00 0.00 0.00 0.00 51.96 52.99 3dgg s ALA 114 Cb -0.35 -0.65 -0.08 0.00 0.00 0.00 0.00 23.12 22.05 3dgg s ALA 114 CO 0.43 -0.36 1.11 0.00 0.00 0.00 0.00 175.76 176.93 3dgg s ALA 115 N 1.74 2.97 0.68 0.00 0.00 -1.26 -1.04 121.76 124.85 3dgg s ALA 115 Ca -0.03 0.80 -0.14 0.00 0.00 0.00 0.00 51.96 52.59 3dgg s ALA 115 Cb -0.12 -3.33 0.01 0.00 0.00 0.00 0.00 23.12 19.69 3dgg s ALA 115 CO -0.06 -0.47 1.11 -1.25 0.00 0.00 0.00 175.76 175.09 3dgg s PRO 116 N -2.76 2.68 -0.34 0.00 0.04 -1.26 -4.60 135.00 128.76 3dgg s PRO 116 Ca 0.63 1.35 -0.12 0.00 0.04 0.00 0.00 61.00 62.90 3dgg s PRO 116 Cb -0.24 -1.94 -0.01 0.00 0.04 0.00 0.00 34.50 32.35 3dgg s PRO 116 CO 0.30 -1.34 0.22 0.99 0.04 0.00 0.00 177.00 177.21 3dgg s THR 117 N -2.45 5.10 -0.13 1.26 2.01 -0.31 -4.86 115.64 116.26 3dgg s THR 117 Ca 0.66 -0.31 -0.06 0.00 0.31 0.00 0.00 61.69 62.29 3dgg s THR 117 Cb -0.20 -3.64 -0.04 0.00 0.01 0.00 0.00 72.50 68.63 3dgg s THR 117 CO 0.45 -0.02 0.08 -0.69 -0.69 0.00 0.00 174.62 173.74 3dgg s VAL 118 N 1.69 4.96 -0.05 3.82 1.01 -1.26 -1.33 120.40 129.24 3dgg s VAL 118 Ca 0.06 0.01 -0.03 0.00 0.00 0.00 0.00 61.98 62.01 3dgg s VAL 118 Cb -0.17 -3.16 0.02 0.00 0.00 0.00 0.00 36.38 33.07 3dgg s VAL 118 CO 0.09 0.57 0.12 -0.44 0.00 0.00 0.00 175.10 175.44 3dgg s SER 119 N -0.62 -0.11 -0.01 3.32 0.01 -0.79 -4.98 113.70 110.53 3dgg s SER 119 Ca 0.12 0.24 0.08 0.00 1.31 0.00 0.00 55.95 57.69 3dgg s SER 119 Cb -0.12 0.20 -0.02 0.00 0.21 0.00 0.00 66.02 66.29 3dgg s SER 119 CO 0.02 -0.07 -0.25 -0.51 0.41 0.00 0.00 173.24 172.84 3dgg s ILE 120 N 0.41 2.20 -0.09 1.44 2.07 -1.26 -1.05 121.20 124.92 3dgg s ILE 120 Ca -0.03 -1.14 -0.01 0.00 -1.41 0.00 0.00 60.65 58.07 3dgg s ILE 120 Cb -0.04 -1.79 0.03 0.00 0.13 0.00 0.00 42.46 40.78 3dgg s ILE 120 CO -0.02 0.53 -0.04 -0.36 -1.91 0.00 0.00 174.94 173.14 3dgg s PHE 121 N -0.68 1.05 0.76 3.50 0.08 -0.09 -5.02 117.98 117.58 3dgg s PHE 121 Ca 0.11 -0.43 -0.11 0.00 0.12 0.00 0.00 56.93 56.61 3dgg s PHE 121 Cb -0.10 -0.98 0.05 0.00 -0.57 0.00 0.00 43.02 41.42 3dgg s PHE 121 CO 0.00 -0.39 1.10 -1.25 -0.10 0.00 0.00 175.22 174.58 3dgg s PRO 122 N 1.70 2.27 0.31 0.24 0.04 -1.26 -2.33 135.00 135.97 3dgg s PRO 122 Ca 0.03 1.26 -0.29 0.00 0.04 0.00 0.00 61.00 62.03 3dgg s PRO 122 Cb -0.13 -1.89 -0.12 0.00 0.04 0.00 0.00 34.50 32.40 3dgg s PRO 122 CO -0.06 -1.65 1.45 -0.35 0.04 0.00 0.00 177.00 176.43 3dgg n PRO 123 N -3.33 2.38 -1.81 0.56 -0.04 -1.13 -4.87 135.00 126.76 3dgg n PRO 123 Ca 0.10 0.84 -0.35 0.00 -0.04 0.00 0.00 63.50 64.04 3dgg n PRO 123 Cb 0.53 -2.53 0.05 0.00 -0.04 0.00 0.00 33.50 31.51 3dgg n PRO 123 CO 0.00 0.00 0.00 -1.54 -0.04 0.00 0.00 175.50 173.92 3dgg s SER 124 N 0.10 4.86 0.33 3.54 1.04 -1.26 -4.88 113.70 117.42 3dgg s SER 124 Ca 0.60 2.37 0.01 0.00 0.48 0.00 0.00 55.95 59.42 3dgg s SER 124 Cb -0.55 -2.59 0.55 0.00 0.10 0.00 0.00 66.02 63.53 3dgg s SER 124 CO 0.56 -1.82 1.96 0.77 0.98 0.00 0.00 173.24 175.69 3dgg h SER 125 N 0.47 0.77 -0.45 7.02 4.64 -1.99 -1.95 113.55 122.06 3dgg h SER 125 Ca -0.49 -0.05 0.07 0.00 -0.47 0.00 0.00 61.79 60.85 3dgg h SER 125 Cb 1.30 -0.19 -0.06 0.00 -0.31 0.00 0.00 62.40 63.13 3dgg h SER 125 CO 0.53 0.60 0.09 -0.33 -0.87 0.00 0.00 176.83 176.86 3dgg h GLU 126 N 0.89 0.22 -0.24 4.77 5.08 -2.00 -1.26 114.58 122.04 3dgg h GLU 126 Ca 0.23 -0.01 -0.03 0.00 -1.00 0.00 0.00 59.36 58.55 3dgg h GLU 126 Cb -0.02 -0.05 -0.01 0.00 0.50 0.00 0.00 28.75 29.17 3dgg h GLU 126 CO -0.04 0.15 0.02 0.37 -1.00 0.00 0.00 179.01 178.51 3dgg h GLN 127 N 0.23 0.41 -0.99 2.33 4.15 -1.75 -3.01 115.11 116.47 3dgg h GLN 127 Ca 0.22 -0.12 0.15 0.00 0.77 0.00 0.00 58.65 59.68 3dgg h GLN 127 Cb 0.28 -0.04 -0.10 0.00 0.21 0.00 0.00 27.48 27.83 3dgg h GLN 127 CO -0.29 0.56 0.61 -0.07 -1.93 0.00 0.00 178.83 177.71 3dgg h LEU 128 N 0.20 0.84 -1.49 -2.39 4.07 -1.12 -0.15 115.31 115.27 3dgg h LEU 128 Ca 0.07 0.07 -0.06 0.00 0.08 0.00 0.00 57.88 58.05 3dgg h LEU 128 Cb 0.36 -0.09 -0.01 0.00 1.08 0.00 0.00 40.66 42.00 3dgg h LEU 128 CO 0.01 0.38 -0.26 0.71 -1.08 0.00 0.00 178.44 178.19 3dgg h THR 129 N 0.87 1.11 -0.00 0.22 1.35 -1.12 -1.97 112.91 113.37 3dgg h THR 129 Ca 0.53 -0.92 0.00 0.00 -0.55 0.00 0.00 66.41 65.47 3dgg h THR 129 Cb 0.68 1.51 0.00 0.00 -1.73 0.00 0.00 68.15 68.61 3dgg h THR 129 CO -0.32 0.26 -0.06 -1.20 -0.25 0.00 0.00 175.52 173.94 3dgg n SER 130 N -4.12 0.07 0.00 5.36 7.64 -0.13 -4.93 113.62 117.51 3dgg n SER 130 Ca -0.02 0.35 0.00 0.00 1.01 0.00 0.00 58.87 60.21 3dgg n SER 130 Cb 0.32 -0.39 0.00 0.00 -1.01 0.00 0.00 64.21 63.14 3dgg n SER 130 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 3dgg n GLY 131 N 1.48 0.87 3.87 0.23 0.00 -0.74 -5.09 105.19 105.81 3dgg n GLY 131 Ca 0.07 0.00 -0.21 0.00 0.00 0.00 0.00 46.02 45.88 3dgg n GLY 131 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 3dgg s GLY 132 N -1.96 1.80 -0.29 -0.02 0.00 -0.95 -3.10 107.32 102.80 3dgg s GLY 132 Ca 0.00 -1.66 0.03 0.00 0.00 0.00 0.00 44.72 43.09 3dgg s GLY 132 CO 0.00 -1.57 0.47 0.00 0.00 0.00 0.00 173.10 171.99 3dgg s ALA 133 N -2.31 -1.58 -0.14 3.20 0.00 -0.84 -3.16 121.76 116.92 3dgg s ALA 133 Ca 0.42 0.51 -0.04 0.00 0.00 0.00 0.00 51.96 52.85 3dgg s ALA 133 Cb -0.06 -2.21 -0.03 0.00 0.00 0.00 0.00 23.12 20.82 3dgg s ALA 133 CO 0.27 -1.76 -0.01 -1.12 0.00 0.00 0.00 175.76 173.14 3dgg s SER 134 N 2.63 5.07 -0.23 0.00 0.01 -1.26 -1.29 113.70 118.64 3dgg s SER 134 Ca 0.10 -0.02 -0.06 0.00 1.31 0.00 0.00 55.95 57.27 3dgg s SER 134 Cb -0.12 -1.74 -0.03 0.00 0.21 0.00 0.00 66.02 64.34 3dgg s SER 134 CO -0.28 0.22 0.04 -0.69 0.41 0.00 0.00 173.24 172.94 3dgg s VAL 135 N 0.07 4.22 -0.10 3.43 1.01 0.15 -2.82 120.40 126.35 3dgg s VAL 135 Ca 0.01 -0.21 -0.00 0.00 0.00 0.00 0.00 61.98 61.78 3dgg s VAL 135 Cb -0.13 -2.95 -0.02 0.00 0.00 0.00 0.00 36.38 33.28 3dgg s VAL 135 CO 0.02 0.38 -0.08 -0.69 0.00 0.00 0.00 175.10 174.73 3dgg s VAL 136 N 1.27 3.52 -0.13 2.92 1.01 -0.98 -0.19 120.40 127.81 3dgg s VAL 136 Ca 0.04 -0.52 0.00 0.00 0.00 0.00 0.00 61.98 61.51 3dgg s VAL 136 Cb -0.15 -2.47 0.02 0.00 0.00 0.00 0.00 36.38 33.79 3dgg s VAL 136 CO 0.03 0.55 -0.12 0.00 0.00 0.00 0.00 175.10 175.55 3dgg s PHE 138 N 1.45 3.59 -0.38 0.00 2.99 -0.22 -0.41 117.98 125.00 3dgg s PHE 138 Ca 0.03 0.59 0.03 0.00 0.00 0.00 0.00 56.93 57.58 3dgg s PHE 138 Cb -0.13 -2.06 0.11 0.00 0.00 0.00 0.00 43.02 40.94 3dgg s PHE 138 CO -0.08 0.63 0.13 -0.51 -0.00 0.00 0.00 175.22 175.38 3dgg s LEU 139 N -0.75 3.75 -0.02 -0.37 1.43 0.61 -1.89 118.68 121.45 3dgg s LEU 139 Ca 0.16 -2.25 0.01 0.00 -1.03 0.00 0.00 54.13 51.02 3dgg s LEU 139 Cb -0.13 -1.35 -0.04 0.00 0.03 0.00 0.00 46.19 44.70 3dgg s LEU 139 CO 0.05 -0.35 0.00 0.20 0.23 0.00 0.00 176.35 176.49 3dgg s ASN 140 N 0.79 5.16 -1.09 2.29 0.01 -0.44 -0.74 114.94 120.92 3dgg s ASN 140 Ca 0.13 0.03 -0.12 0.00 -0.71 0.00 0.00 52.86 52.18 3dgg s ASN 140 Cb -0.21 -1.37 -0.04 0.00 0.41 0.00 0.00 41.25 40.04 3dgg s ASN 140 CO -0.10 0.30 0.87 0.59 -1.51 0.00 0.00 177.10 177.25 3dgg n ASN 141 N 1.52 -6.04 -4.58 -1.22 4.13 -0.77 -1.16 115.26 107.14 3dgg n ASN 141 Ca -0.15 -0.83 -0.26 0.00 1.68 0.00 0.00 54.58 55.01 3dgg n ASN 141 Cb 0.53 -4.47 -0.10 0.00 -1.54 0.00 0.00 39.78 34.19 3dgg n ASN 141 CO 0.00 0.00 0.00 0.72 0.28 0.00 0.00 177.26 178.26 3dgg s PHE 142 N -3.42 2.45 -0.24 3.10 -0.71 0.76 -4.54 117.98 115.38 3dgg s PHE 142 Ca 0.46 -0.53 -0.20 0.00 -1.04 0.00 0.00 56.93 55.62 3dgg s PHE 142 Cb -0.10 -1.49 0.06 0.00 -1.21 0.00 0.00 43.02 40.28 3dgg s PHE 142 CO 0.79 0.53 0.62 -0.47 -1.34 0.00 0.00 175.22 175.36 3dgg s TYR 143 N -2.62 -0.75 0.88 3.49 6.14 -0.21 -0.30 117.35 123.99 3dgg s TYR 143 Ca 0.34 1.73 -0.15 0.00 0.64 0.00 0.00 57.07 59.63 3dgg s TYR 143 Cb 0.04 0.30 0.21 0.00 0.42 0.00 0.00 41.96 42.93 3dgg s TYR 143 CO 0.17 -0.36 0.94 -0.35 0.64 0.00 0.00 175.55 176.59 3dgg n PRO 144 N 3.10 -1.95 0.02 4.97 -0.04 -1.26 -1.56 135.00 138.28 3dgg n PRO 144 Ca -0.15 -1.48 -0.03 0.00 -0.04 0.00 0.00 63.50 61.80 3dgg n PRO 144 Cb 0.56 -1.19 0.21 0.00 -0.04 0.00 0.00 33.50 33.04 3dgg n PRO 144 CO 0.00 0.00 0.00 -0.22 -0.04 0.00 0.00 175.50 175.24 3dgg h LYS 145 N 0.00 0.46 -6.58 0.54 3.64 -1.98 -3.44 116.57 109.21 3dgg h LYS 145 Ca -0.33 -0.18 -0.53 0.00 -1.27 0.00 0.00 60.65 58.35 3dgg h LYS 145 Cb 0.96 -0.03 0.04 0.00 -0.41 0.00 0.00 32.23 32.79 3dgg h LYS 145 CO 0.22 0.69 0.82 0.34 -2.27 0.00 0.00 179.45 179.25 3dgg s ASP 146 N -6.82 6.68 -0.10 4.20 -1.08 -1.26 -4.97 116.67 113.31 3dgg s ASP 146 Ca -0.07 2.51 -0.30 0.00 -0.52 0.00 0.00 52.55 54.17 3dgg s ASP 146 Cb 0.14 -2.59 0.10 0.00 -1.46 0.00 0.00 42.92 39.11 3dgg s ASP 146 CO 0.79 -0.76 0.85 -0.51 0.52 0.00 0.00 175.17 176.06 3dgg s ILE 147 N 1.13 0.00 0.07 4.11 2.07 -1.26 -4.64 121.20 122.68 3dgg s ILE 147 Ca 0.68 0.00 0.08 0.00 -1.41 0.00 0.00 60.65 60.00 3dgg s ILE 147 Cb -0.41 -1.00 -0.03 0.00 0.13 0.00 0.00 42.46 41.14 3dgg s ILE 147 CO 0.31 0.00 -0.18 0.20 -1.91 0.00 0.00 174.94 173.36 3dgg s ASN 148 N -1.21 3.84 -0.11 4.50 0.01 0.02 -4.99 114.94 117.01 3dgg s ASN 148 Ca -0.05 -0.47 -0.01 0.00 -0.71 0.00 0.00 52.86 51.62 3dgg s ASN 148 Cb -0.00 -0.59 0.03 0.00 0.41 0.00 0.00 41.25 41.09 3dgg s ASN 148 CO 0.05 0.23 -0.06 -0.69 -1.51 0.00 0.00 177.10 175.12 3dgg s VAL 149 N -1.00 0.89 -0.03 1.60 1.01 -1.26 -1.23 120.40 120.37 3dgg s VAL 149 Ca 0.16 -0.22 0.07 0.00 0.00 0.00 0.00 61.98 61.98 3dgg s VAL 149 Cb -0.11 -0.95 -0.02 0.00 0.00 0.00 0.00 36.38 35.31 3dgg s VAL 149 CO 0.07 0.33 -0.24 -1.59 0.00 0.00 0.00 175.10 173.66 3dgg s LYS 150 N 1.76 2.15 0.02 2.72 0.00 -0.59 -4.98 119.74 120.83 3dgg s LYS 150 Ca 0.05 -0.87 0.00 0.00 0.00 0.00 0.00 55.97 55.15 3dgg s LYS 150 Cb -0.13 -1.97 -0.04 0.00 0.00 0.00 0.00 37.83 35.69 3dgg s LYS 150 CO -0.08 0.46 0.09 -1.58 0.00 0.00 0.00 175.35 174.25 3dgg s TRP 151 N -0.40 3.29 0.01 1.78 0.52 -1.26 -0.45 118.94 122.42 3dgg s TRP 151 Ca 0.04 0.18 0.03 0.00 0.02 0.00 0.00 56.10 56.37 3dgg s TRP 151 Cb -0.11 -1.71 -0.01 0.00 -1.15 0.00 0.00 33.47 30.49 3dgg s TRP 151 CO 0.01 0.55 -0.08 0.15 0.02 0.00 0.00 176.95 177.59 3dgg s LYS 152 N -1.98 0.61 -0.16 4.98 1.02 0.12 -1.86 119.74 122.47 3dgg s LYS 152 Ca 0.26 -0.44 -0.01 0.00 0.02 0.00 0.00 55.97 55.80 3dgg s LYS 152 Cb -0.12 -0.55 0.04 0.00 -0.52 0.00 0.00 37.83 36.69 3dgg s LYS 152 CO 0.17 0.14 -0.02 0.42 -0.92 0.00 0.00 175.35 175.14 3dgg s ILE 153 N -0.54 0.87 -1.45 2.17 1.01 0.07 -1.14 121.20 122.18 3dgg s ILE 153 Ca -0.00 -0.52 -0.07 0.00 0.00 0.00 0.00 60.65 60.05 3dgg s ILE 153 Cb -0.05 -1.13 0.05 0.00 0.01 0.00 0.00 42.46 41.34 3dgg s ILE 153 CO 0.00 0.05 0.78 0.47 0.00 0.00 0.00 174.94 176.25 3dgg n ASP 154 N 4.95 -2.72 0.00 3.58 8.00 -0.78 -2.28 116.55 127.30 3dgg n ASP 154 Ca -0.10 -0.85 0.00 0.00 0.71 0.00 0.00 54.79 54.55 3dgg n ASP 154 Cb 0.48 -3.71 0.00 0.00 -0.02 0.00 0.00 41.12 37.87 3dgg n ASP 154 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 3dgg n GLY 155 N -1.67 0.68 3.22 0.44 0.00 -1.26 -5.02 105.19 101.57 3dgg n GLY 155 Ca -0.13 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.59 3dgg n GLY 155 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 3dgg s SER 156 N -2.37 2.78 0.25 1.61 0.15 -0.96 -5.04 113.70 110.12 3dgg s SER 156 Ca 0.00 -0.47 -0.31 0.00 0.70 0.00 0.00 55.95 55.88 3dgg s SER 156 Cb 0.00 -0.82 -0.11 0.00 -1.71 0.00 0.00 66.02 63.37 3dgg s SER 156 CO 0.00 0.21 1.63 -1.61 1.20 0.00 0.00 173.24 174.66 3dgg s GLU 157 N -0.04 4.14 -0.09 5.44 2.02 -1.26 -0.75 118.70 128.15 3dgg s GLU 157 Ca -0.05 2.56 0.04 0.00 0.02 0.00 0.00 54.97 57.53 3dgg s GLU 157 Cb -0.14 -3.06 0.00 0.00 0.10 0.00 0.00 34.13 31.04 3dgg s GLU 157 CO 0.04 -0.66 -0.22 0.50 0.02 0.00 0.00 175.26 174.93 3dgg s ARG 158 N 0.21 2.84 -0.02 1.61 6.06 -0.78 -4.89 118.95 123.97 3dgg s ARG 158 Ca 0.68 -0.82 0.00 0.00 -2.50 0.00 0.00 55.73 53.09 3dgg s ARG 158 Cb -0.48 -2.17 -0.02 0.00 0.06 0.00 0.00 34.95 32.34 3dgg s ARG 158 CO 0.41 0.17 -0.02 1.04 -2.50 0.00 0.00 175.30 174.40 3dgg n GLN 159 N 3.52 0.15 -2.08 5.12 6.02 -1.26 -4.21 117.38 124.64 3dgg n GLN 159 Ca -0.19 0.01 -0.40 0.00 -0.01 0.00 0.00 57.00 56.41 3dgg n GLN 159 Cb 0.53 -1.05 -0.01 0.00 1.02 0.00 0.00 30.24 30.73 3dgg n GLN 159 CO 0.00 0.00 0.00 -0.80 -1.01 0.00 0.00 177.06 175.25 3dgg s ASN 160 N -4.22 6.39 0.00 1.08 -0.87 -1.26 -3.50 114.94 112.56 3dgg s ASN 160 Ca -0.03 2.64 0.00 0.00 -1.57 0.00 0.00 52.86 53.90 3dgg s ASN 160 Cb 0.01 -2.64 0.00 0.00 -0.02 0.00 0.00 41.25 38.60 3dgg s ASN 160 CO 0.06 -0.79 0.00 0.61 -2.57 0.00 0.00 177.10 174.40 3dgg n GLY 161 N 0.68 0.44 3.59 0.66 0.00 -1.26 -4.84 105.19 104.46 3dgg n GLY 161 Ca 0.03 -0.68 -0.35 0.00 0.00 0.00 0.00 46.02 45.02 3dgg n GLY 161 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 3dgg s VAL 162 N -2.00 4.80 -0.08 1.61 1.01 -1.23 -0.90 120.40 123.61 3dgg s VAL 162 Ca 0.00 -0.02 0.02 0.00 0.00 0.00 0.00 61.98 61.98 3dgg s VAL 162 Cb 0.00 -3.20 0.01 0.00 0.00 0.00 0.00 36.38 33.19 3dgg s VAL 162 CO 0.00 0.40 -0.14 -0.76 0.00 0.00 0.00 175.10 174.60 3dgg s LEU 163 N 0.82 1.71 0.15 3.92 1.43 -0.69 -4.99 118.68 121.03 3dgg s LEU 163 Ca 0.04 -0.36 0.07 0.00 -1.03 0.00 0.00 54.13 52.86 3dgg s LEU 163 Cb -0.13 -0.96 -0.04 0.00 0.03 0.00 0.00 46.19 45.08 3dgg s LEU 163 CO 0.02 0.04 -0.05 0.20 0.23 0.00 0.00 176.35 176.79 3dgg s ASN 164 N 0.72 4.56 -0.16 2.29 0.02 -1.26 -1.57 114.94 119.53 3dgg s ASN 164 Ca -0.13 -0.42 -0.06 0.00 -1.02 0.00 0.00 52.86 51.23 3dgg s ASN 164 Cb -0.16 -0.91 0.08 0.00 0.02 0.00 0.00 41.25 40.28 3dgg s ASN 164 CO 0.03 0.13 0.35 -0.55 0.02 0.00 0.00 177.10 177.07 3dgg s SER 165 N -2.64 0.01 -0.14 -1.22 0.15 -0.54 -4.99 113.70 104.33 3dgg s SER 165 Ca 0.25 0.80 -0.10 0.00 0.70 0.00 0.00 55.95 57.60 3dgg s SER 165 Cb -0.10 1.02 -0.05 0.00 -1.71 0.00 0.00 66.02 65.19 3dgg s SER 165 CO 0.16 -0.23 0.19 0.26 1.20 0.00 0.00 173.24 174.82 3dgg s TRP 166 N 2.46 3.54 0.74 3.44 0.51 -1.26 -0.64 118.94 127.73 3dgg s TRP 166 Ca -0.01 0.53 -0.11 0.00 -2.12 0.00 0.00 56.10 54.39 3dgg s TRP 166 Cb -0.12 -2.10 0.04 0.00 -0.81 0.00 0.00 33.47 30.48 3dgg s TRP 166 CO -0.11 0.53 1.09 0.95 -0.51 0.00 0.00 176.95 178.90 3dgg s THR 167 N -0.42 3.45 0.93 2.01 -4.23 -0.40 -5.01 115.64 111.96 3dgg s THR 167 Ca 0.14 0.50 -0.12 0.00 -1.18 0.00 0.00 61.69 61.04 3dgg s THR 167 Cb -0.12 -3.03 0.15 0.00 1.34 0.00 0.00 72.50 70.83 3dgg s THR 167 CO 0.03 -0.58 1.09 -1.81 -0.54 0.00 0.00 174.62 172.81 3dgg s ASP 168 N -3.34 3.17 0.23 3.99 -0.00 -1.26 -4.57 116.67 114.89 3dgg s ASP 168 Ca 0.61 1.52 -0.31 0.00 -0.00 0.00 0.00 52.55 54.37 3dgg s ASP 168 Cb -0.17 -2.19 -0.13 0.00 -0.00 0.00 0.00 42.92 40.43 3dgg s ASP 168 CO 0.53 -2.84 1.46 1.67 -0.00 0.00 0.00 175.17 175.99 3dgg n GLN 169 N -4.02 2.13 -2.15 8.23 7.27 -1.26 -4.74 117.38 122.84 3dgg n GLN 169 Ca 0.07 0.76 -0.42 0.00 0.07 0.00 0.00 57.00 57.48 3dgg n GLN 169 Cb 0.55 -2.45 -0.03 0.00 2.41 0.00 0.00 30.24 30.72 3dgg n GLN 169 CO 0.00 0.00 0.00 0.34 0.07 0.00 0.00 177.06 177.47 3dgg s ASP 170 N 0.41 6.80 0.49 1.69 -1.08 0.47 -4.92 116.67 120.53 3dgg s ASP 170 Ca 0.69 2.30 0.26 0.00 -0.52 0.00 0.00 52.55 55.29 3dgg s ASP 170 Cb -0.64 -2.58 1.24 0.00 -1.46 0.00 0.00 42.92 39.48 3dgg s ASP 170 CO 0.48 -0.69 1.97 -1.28 0.52 0.00 0.00 175.17 176.16 3dgg h SER 171 N 7.16 0.00 0.00 -0.34 0.87 -1.90 0.07 113.55 119.40 3dgg h SER 171 Ca -0.41 0.00 -0.12 0.00 -1.23 0.00 0.00 61.79 60.03 3dgg h SER 171 Cb 1.20 0.00 -0.02 0.00 -0.44 0.00 0.00 62.40 63.14 3dgg h SER 171 CO 0.88 0.17 -0.80 0.50 -0.53 0.00 0.00 176.83 177.04 3dgg h LYS 172 N 0.00 0.00 -0.11 2.24 1.63 -1.98 -3.43 116.57 114.92 3dgg h LYS 172 Ca -0.00 0.00 0.00 0.00 -0.85 0.00 0.00 60.65 59.80 3dgg h LYS 172 Cb 0.51 0.00 0.00 0.00 -0.60 0.00 0.00 32.23 32.14 3dgg h LYS 172 CO 0.02 0.60 0.00 -0.40 -3.45 0.00 0.00 179.45 176.22 3dgg n ASP 173 N -4.54 2.05 -1.50 4.20 5.68 -1.24 -5.01 116.55 116.20 3dgg n ASP 173 Ca -0.19 -1.64 -0.19 0.00 -0.50 0.00 0.00 54.79 52.27 3dgg n ASP 173 Cb 0.48 -0.07 -0.07 0.00 -1.14 0.00 0.00 41.12 40.31 3dgg n ASP 173 CO 0.00 0.00 0.00 -1.20 -1.33 0.00 0.00 177.20 174.67 3dgg n SER 174 N 0.23 -5.25 -4.89 -1.12 7.64 0.01 -4.97 113.62 105.27 3dgg n SER 174 Ca 0.05 0.41 -0.22 0.00 1.01 0.00 0.00 58.87 60.12 3dgg n SER 174 Cb 0.26 -4.38 0.06 0.00 -1.01 0.00 0.00 64.21 59.14 3dgg n SER 174 CO 0.00 0.00 0.00 0.42 -3.01 0.00 0.00 175.04 172.45 3dgg s THR 175 N -2.72 2.47 0.29 0.44 -4.23 -1.26 -4.66 115.64 105.98 3dgg s THR 175 Ca 0.00 -0.63 0.10 0.00 -1.18 0.00 0.00 61.69 59.99 3dgg s THR 175 Cb 0.00 -2.85 -0.05 0.00 1.34 0.00 0.00 72.50 70.94 3dgg s THR 175 CO 0.00 0.00 -0.09 -0.31 -0.54 0.00 0.00 174.62 173.68 3dgg s TYR 176 N -2.90 2.46 0.05 3.99 1.51 0.59 -0.39 117.35 122.66 3dgg s TYR 176 Ca 0.60 -0.34 0.00 0.00 -1.01 0.00 0.00 57.07 56.32 3dgg s TYR 176 Cb -0.09 -1.18 -0.03 0.00 -0.11 0.00 0.00 41.96 40.55 3dgg s TYR 176 CO 0.41 0.63 -0.04 -1.12 -1.11 0.00 0.00 175.55 174.32 3dgg s SER 177 N -3.61 0.58 -0.02 2.29 0.01 -1.26 -0.17 113.70 111.53 3dgg s SER 177 Ca 0.32 -0.84 -0.05 0.00 1.31 0.00 0.00 55.95 56.68 3dgg s SER 177 Cb -0.04 0.14 0.00 0.00 0.21 0.00 0.00 66.02 66.34 3dgg s SER 177 CO 0.17 -0.47 0.12 -0.32 0.41 0.00 0.00 173.24 173.15 3dgg s MET 178 N -3.10 0.33 -0.10 12.44 1.75 0.08 -1.28 119.30 129.42 3dgg s MET 178 Ca 0.01 -0.18 0.00 0.00 -1.25 0.00 0.00 55.69 54.27 3dgg s MET 178 Cb 0.02 0.14 -0.02 0.00 2.84 0.00 0.00 34.83 37.80 3dgg s MET 178 CO -0.06 -0.07 -0.09 0.45 -0.65 0.00 0.00 175.02 174.60 3dgg s SER 179 N -0.80 4.40 -0.13 1.11 0.15 0.19 -0.28 113.70 118.34 3dgg s SER 179 Ca -0.09 -0.15 0.02 0.00 0.70 0.00 0.00 55.95 56.43 3dgg s SER 179 Cb -0.05 -1.32 0.01 0.00 -1.71 0.00 0.00 66.02 62.95 3dgg s SER 179 CO 0.01 0.28 -0.19 -0.55 1.20 0.00 0.00 173.24 173.98 3dgg s SER 180 N -0.30 2.86 -0.19 5.45 0.15 0.45 -1.47 113.70 120.64 3dgg s SER 180 Ca 0.04 -0.54 0.01 0.00 0.70 0.00 0.00 55.95 56.16 3dgg s SER 180 Cb -0.13 -1.31 0.04 0.00 -1.71 0.00 0.00 66.02 62.91 3dgg s SER 180 CO 0.03 0.04 -0.14 -0.89 1.20 0.00 0.00 173.24 173.48 3dgg s THR 181 N 0.97 1.81 -0.48 6.45 2.01 -0.61 -0.15 115.64 125.64 3dgg s THR 181 Ca -0.05 -1.00 -0.17 0.00 0.31 0.00 0.00 61.69 60.78 3dgg s THR 181 Cb -0.15 -1.78 0.06 0.00 0.01 0.00 0.00 72.50 70.64 3dgg s THR 181 CO -0.03 0.30 0.48 -0.22 -0.69 0.00 0.00 174.62 174.46 3dgg s LEU 182 N 1.35 5.33 -0.16 4.42 0.20 0.73 -1.70 118.68 128.84 3dgg s LEU 182 Ca 0.01 -1.13 -0.13 0.00 0.69 0.00 0.00 54.13 53.57 3dgg s LEU 182 Cb -0.15 -2.29 -0.05 0.00 -0.43 0.00 0.00 46.19 43.27 3dgg s LEU 182 CO -0.10 -0.73 0.25 -0.89 -0.29 0.00 0.00 176.35 174.59 3dgg s THR 183 N 2.04 5.33 0.06 3.68 2.01 -0.08 -0.67 115.64 128.01 3dgg s THR 183 Ca 0.09 0.46 -0.20 0.00 0.31 0.00 0.00 61.69 62.34 3dgg s THR 183 Cb -0.22 -3.59 0.04 0.00 0.01 0.00 0.00 72.50 68.75 3dgg s THR 183 CO 0.09 0.42 0.47 -1.48 -0.69 0.00 0.00 174.62 173.43 3dgg s LEU 184 N 0.33 0.13 0.87 4.42 2.34 -0.41 -4.66 118.68 121.70 3dgg s LEU 184 Ca 0.15 0.05 -0.11 0.00 0.06 0.00 0.00 54.13 54.28 3dgg s LEU 184 Cb -0.13 1.97 0.12 0.00 -0.56 0.00 0.00 46.19 47.59 3dgg s LEU 184 CO 0.03 -0.72 1.11 0.42 -1.06 0.00 0.00 176.35 176.12 3dgg s THR 185 N -2.65 2.66 0.18 5.48 -4.23 -1.26 -1.99 115.64 113.83 3dgg s THR 185 Ca -0.04 0.22 -0.13 0.00 -1.18 0.00 0.00 61.69 60.55 3dgg s THR 185 Cb -0.00 -2.50 0.07 0.00 1.34 0.00 0.00 72.50 71.41 3dgg s THR 185 CO -0.03 -0.28 1.79 0.50 -0.54 0.00 0.00 174.62 176.05 3dgg h LYS 186 N -1.58 0.48 -0.69 3.99 3.64 -1.75 -1.47 116.57 119.20 3dgg h LYS 186 Ca -0.46 -0.03 -0.04 0.00 -1.27 0.00 0.00 60.65 58.85 3dgg h LYS 186 Cb 1.26 -0.11 -0.03 0.00 -0.41 0.00 0.00 32.23 32.94 3dgg h LYS 186 CO 0.48 0.32 0.26 0.38 -2.27 0.00 0.00 179.45 178.62 3dgg h ASP 187 N 0.50 0.94 -0.45 4.20 3.04 -1.91 -1.52 116.42 121.21 3dgg h ASP 187 Ca 0.22 -0.14 -0.04 0.00 -3.24 0.00 0.00 57.03 53.83 3dgg h ASP 187 Cb 0.12 -0.24 -0.02 0.00 -1.04 0.00 0.00 39.33 38.15 3dgg h ASP 187 CO -0.15 0.84 0.13 -0.33 -2.04 0.00 0.00 179.24 177.70 3dgg h GLU 188 N 0.99 0.70 -0.42 4.15 5.08 -1.84 -3.00 114.58 120.24 3dgg h GLU 188 Ca 0.23 -0.15 -0.01 0.00 -1.00 0.00 0.00 59.36 58.42 3dgg h GLU 188 Cb 0.21 -0.10 -0.02 0.00 0.50 0.00 0.00 28.75 29.34 3dgg h GLU 188 CO -0.02 0.68 0.21 -0.92 -1.00 0.00 0.00 179.01 177.96 3dgg h TYR 189 N 0.58 0.61 0.00 4.33 3.20 -0.89 -2.77 116.97 122.03 3dgg h TYR 189 Ca 0.14 -0.03 0.00 0.00 3.14 0.00 0.00 58.73 61.99 3dgg h TYR 189 Cb 0.28 -0.19 0.00 0.00 1.54 0.00 0.00 36.73 38.36 3dgg h TYR 189 CO 0.01 0.49 0.00 0.93 -1.64 0.00 0.00 178.16 177.96 3dgg h GLU 190 N 0.55 0.00 0.00 1.82 5.08 -1.30 -2.87 114.58 117.86 3dgg h GLU 190 Ca 0.15 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.51 3dgg h GLU 190 Cb 0.11 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.36 3dgg h GLU 190 CO -0.02 0.00 -0.00 -2.13 -1.00 0.00 0.00 179.01 175.86 3dgg n ARG 191 N -2.43 0.10 -4.39 2.33 0.63 -1.04 -4.85 116.66 106.99 3dgg n ARG 191 Ca 0.01 0.08 -0.20 0.00 -0.92 0.00 0.00 57.85 56.83 3dgg n ARG 191 Cb 0.23 -1.62 -0.10 0.00 0.45 0.00 0.00 32.46 31.42 3dgg n ARG 191 CO 0.00 0.00 0.00 -1.01 -2.51 0.00 0.00 177.63 174.11 3dgg s HIS 192 N -3.04 1.83 -0.12 -0.14 3.76 -1.08 -5.10 115.29 111.39 3dgg s HIS 192 Ca 0.13 -0.72 -0.04 0.00 -0.15 0.00 0.00 55.06 54.27 3dgg s HIS 192 Cb 0.16 -1.02 -0.06 0.00 1.11 0.00 0.00 32.58 32.77 3dgg s HIS 192 CO 0.56 0.23 -0.15 0.09 -0.85 0.00 0.00 174.74 174.62 3dgg n ASN 193 N -0.52 1.54 -4.53 1.40 5.03 -1.26 -4.86 115.26 112.06 3dgg n ASN 193 Ca -0.06 0.09 -0.32 0.00 0.87 0.00 0.00 54.58 55.16 3dgg n ASN 193 Cb 0.63 -0.32 -0.12 0.00 -1.02 0.00 0.00 39.78 38.96 3dgg n ASN 193 CO 0.00 0.00 0.00 -0.94 -1.83 0.00 0.00 177.26 174.49 3dgg s SER 194 N -5.85 4.24 -0.05 6.41 1.04 -1.26 -2.29 113.70 115.94 3dgg s SER 194 Ca -0.17 -0.25 0.03 0.00 0.48 0.00 0.00 55.95 56.03 3dgg s SER 194 Cb 0.06 -0.88 0.01 0.00 0.10 0.00 0.00 66.02 65.31 3dgg s SER 194 CO 0.24 0.28 -0.12 -0.31 0.98 0.00 0.00 173.24 174.31 3dgg s TYR 195 N -0.93 1.34 -0.03 5.02 1.51 -0.97 -1.86 117.35 121.42 3dgg s TYR 195 Ca 0.15 -0.43 0.01 0.00 -1.01 0.00 0.00 57.07 55.79 3dgg s TYR 195 Cb -0.11 -0.96 0.02 0.00 -0.11 0.00 0.00 41.96 40.80 3dgg s TYR 195 CO 0.06 -0.21 -0.02 0.99 -1.11 0.00 0.00 175.55 175.26 3dgg s THR 196 N 0.44 0.34 -0.11 -0.71 2.01 -0.29 -2.05 115.64 115.27 3dgg s THR 196 Ca -0.10 -0.03 -0.01 0.00 0.31 0.00 0.00 61.69 61.86 3dgg s THR 196 Cb -0.13 -0.39 -0.03 0.00 0.01 0.00 0.00 72.50 71.96 3dgg s THR 196 CO 0.02 0.17 -0.07 0.00 -0.69 0.00 0.00 174.62 174.05 3dgg s GLU 198 N -0.18 2.25 -0.24 0.00 2.02 0.40 -2.26 118.70 120.69 3dgg s GLU 198 Ca 0.02 -0.78 -0.07 0.00 0.02 0.00 0.00 54.97 54.16 3dgg s GLU 198 Cb -0.13 -1.91 -0.03 0.00 0.10 0.00 0.00 34.13 32.16 3dgg s GLU 198 CO 0.03 0.31 0.07 0.00 0.02 0.00 0.00 175.26 175.69 3dgg s ALA 199 N -0.05 3.18 -0.20 5.21 0.00 0.18 -1.54 121.76 128.53 3dgg s ALA 199 Ca -0.04 -1.09 -0.08 0.00 0.00 0.00 0.00 51.96 50.74 3dgg s ALA 199 Cb -0.13 -2.06 -0.04 0.00 0.00 0.00 0.00 23.12 20.89 3dgg s ALA 199 CO 0.03 -0.42 0.09 0.99 0.00 0.00 0.00 175.76 176.46 3dgg s THR 200 N 1.49 4.96 0.07 0.00 2.01 -0.36 -0.83 115.64 122.98 3dgg s THR 200 Ca 0.06 0.03 -0.05 0.00 0.31 0.00 0.00 61.69 62.04 3dgg s THR 200 Cb -0.15 -3.27 -0.02 0.00 0.01 0.00 0.00 72.50 69.08 3dgg s THR 200 CO 0.04 0.42 0.10 -2.28 -0.69 0.00 0.00 174.62 172.20 3dgg s HIS 201 N 0.64 0.29 0.40 4.92 2.46 -1.26 -0.80 115.29 121.94 3dgg s HIS 201 Ca 0.05 -0.75 0.10 0.00 0.47 0.00 0.00 55.06 54.92 3dgg s HIS 201 Cb -0.13 -0.19 0.89 0.00 -0.13 0.00 0.00 32.58 33.02 3dgg s HIS 201 CO 0.01 -0.46 1.99 -0.22 -2.47 0.00 0.00 174.74 173.59 3dgg h LYS 202 N 3.01 0.55 0.39 2.88 3.64 -1.92 -3.28 116.57 121.85 3dgg h LYS 202 Ca -0.34 -0.03 -0.02 0.00 -1.27 0.00 0.00 60.65 58.99 3dgg h LYS 202 Cb 1.18 -0.12 0.00 0.00 -0.41 0.00 0.00 32.23 32.88 3dgg h LYS 202 CO 0.59 0.36 -0.19 1.79 -2.27 0.00 0.00 179.45 179.74 3dgg h THR 203 N 0.57 0.00 -4.08 1.00 1.35 -1.92 -3.44 112.91 106.38 3dgg h THR 203 Ca 0.27 -0.13 -0.46 0.00 -0.55 0.00 0.00 66.41 65.54 3dgg h THR 203 Cb 0.33 0.00 0.01 0.00 -1.73 0.00 0.00 68.15 66.76 3dgg h THR 203 CO -0.08 0.00 0.36 -0.44 -0.25 0.00 0.00 175.52 175.11 3dgg s SER 204 N -3.34 6.59 -0.12 5.36 0.01 -1.24 -4.99 113.70 115.98 3dgg s SER 204 Ca -0.08 1.79 -0.23 0.00 1.31 0.00 0.00 55.95 58.74 3dgg s SER 204 Cb 0.01 -2.55 -0.21 0.00 0.21 0.00 0.00 66.02 63.49 3dgg s SER 204 CO 0.23 -0.61 0.70 0.71 0.41 0.00 0.00 173.24 174.68 3dgg h THR 205 N 1.59 1.40 -3.11 1.44 1.35 -1.86 -3.42 112.91 110.31 3dgg h THR 205 Ca -0.49 -1.93 -0.49 0.00 -0.55 0.00 0.00 66.41 62.95 3dgg h THR 205 Cb 1.20 2.58 0.01 0.00 -1.73 0.00 0.00 68.15 70.21 3dgg h THR 205 CO 0.60 0.45 -0.11 -0.94 -0.25 0.00 0.00 175.52 175.27 3dgg s SER 206 N -6.00 6.35 0.41 5.36 1.04 -1.26 -4.96 113.70 114.63 3dgg s SER 206 Ca -0.15 0.65 -0.23 0.00 0.48 0.00 0.00 55.95 56.69 3dgg s SER 206 Cb -0.02 -2.12 -0.10 0.00 0.10 0.00 0.00 66.02 63.89 3dgg s SER 206 CO 0.56 -0.31 0.99 -2.16 0.98 0.00 0.00 173.24 173.31 3dgg s PRO 207 N -4.09 4.21 -0.05 4.02 0.04 -1.26 -4.85 135.00 133.02 3dgg s PRO 207 Ca 0.43 1.32 -0.28 0.00 0.04 0.00 0.00 61.00 62.51 3dgg s PRO 207 Cb -0.10 -2.40 -0.03 0.00 0.04 0.00 0.00 34.50 32.01 3dgg s PRO 207 CO 0.35 -0.07 0.90 0.42 0.04 0.00 0.00 177.00 178.65 3dgg s ILE 208 N -1.87 4.90 -0.08 0.56 1.09 -0.01 -4.83 121.20 120.96 3dgg s ILE 208 Ca 0.59 1.87 0.04 0.00 -1.10 0.00 0.00 60.65 62.06 3dgg s ILE 208 Cb -0.16 -4.24 -0.00 0.00 -1.06 0.00 0.00 42.46 37.00 3dgg s ILE 208 CO 0.21 0.14 -0.23 0.54 -0.10 0.00 0.00 174.94 175.50 3dgg s VAL 209 N 1.25 1.94 -0.01 2.92 0.11 -1.26 -0.65 120.40 124.70 3dgg s VAL 209 Ca 0.47 -0.97 0.03 0.00 -2.93 0.00 0.00 61.98 58.58 3dgg s VAL 209 Cb -0.19 -1.67 -0.00 0.00 -1.53 0.00 0.00 36.38 32.98 3dgg s VAL 209 CO 0.22 0.54 -0.10 -0.54 -3.33 0.00 0.00 175.10 171.89 3dgg s LYS 210 N 0.24 0.87 0.24 1.54 -0.14 -0.96 -5.05 119.74 116.49 3dgg s LYS 210 Ca -0.14 -0.34 -0.09 0.00 -1.36 0.00 0.00 55.97 54.04 3dgg s LYS 210 Cb -0.16 -0.83 -0.01 0.00 -1.68 0.00 0.00 37.83 35.14 3dgg s LYS 210 CO 0.07 0.17 0.40 -1.54 -0.76 0.00 0.00 175.35 173.69 3dgg s SER 211 N -0.06 0.02 0.12 2.83 1.04 -1.26 -1.90 113.70 114.49 3dgg s SER 211 Ca 0.01 -1.07 -0.21 0.00 0.48 0.00 0.00 55.95 55.17 3dgg s SER 211 Cb -0.06 0.54 0.05 0.00 0.10 0.00 0.00 66.02 66.66 3dgg s SER 211 CO -0.00 -1.08 0.52 0.72 0.98 0.00 0.00 173.24 174.37 3dgg s PHE 212 N -3.99 -0.40 0.07 5.02 -0.12 -0.87 -5.01 117.98 112.67 3dgg s PHE 212 Ca 0.27 0.22 0.02 0.00 -0.05 0.00 0.00 56.93 57.38 3dgg s PHE 212 Cb 0.01 0.41 -0.04 0.00 -0.63 0.00 0.00 43.02 42.77 3dgg s PHE 212 CO 0.10 -0.75 0.14 -0.80 -0.05 0.00 0.00 175.22 173.86 3dgg s ASN 213 N -2.58 5.89 0.53 1.98 0.01 -1.26 -2.28 114.94 117.23 3dgg s ASN 213 Ca 0.00 0.11 0.20 0.00 -0.71 0.00 0.00 52.86 52.46 3dgg s ASN 213 Cb 0.00 -1.69 1.38 0.00 0.41 0.00 0.00 41.25 41.34 3dgg s ASN 213 CO -0.10 0.17 2.14 0.03 -1.51 0.00 0.00 177.10 177.83 3dgg h ARG 214 N 3.20 0.00 0.00 -0.60 3.08 -1.79 -3.50 114.38 114.77 3dgg h ARG 214 Ca -0.46 0.00 0.00 0.00 0.07 0.00 0.00 59.98 59.59 3dgg h ARG 214 Cb 1.16 0.00 0.00 0.00 0.08 0.00 0.00 29.97 31.21 3dgg h ARG 214 CO 0.70 0.00 0.00 -1.71 -1.07 0.00 0.00 179.97 177.89