#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3coo n TYR 43 N 0.00 -3.27 -0.18 1.61 4.19 -1.26 -4.77 117.16 113.47 3coo n TYR 43 Ca 0.00 0.77 -0.08 0.00 3.31 0.00 0.00 57.90 61.90 3coo n TYR 43 Cb 0.00 2.08 0.02 0.00 0.49 0.00 0.00 39.34 41.93 3coo n TYR 43 CO 0.00 0.00 0.00 0.00 0.91 0.00 0.00 176.86 177.77 3coo h SER 45 N 0.70 -0.34 -0.79 0.00 0.02 -1.97 0.25 113.55 111.42 3coo h SER 45 Ca 0.18 0.14 0.01 0.00 -0.84 0.00 0.00 61.79 61.29 3coo h SER 45 Cb 0.09 0.27 -0.04 0.00 0.14 0.00 0.00 62.40 62.86 3coo h SER 45 CO -0.03 -0.13 0.52 0.03 -1.14 0.00 0.00 176.83 176.08 3coo h ARG 46 N 0.07 1.01 -0.24 3.45 3.08 -1.84 -1.16 114.38 118.75 3coo h ARG 46 Ca 0.27 -0.06 -0.11 0.00 0.07 0.00 0.00 59.98 60.15 3coo h ARG 46 Cb 0.42 -0.23 -0.00 0.00 0.08 0.00 0.00 29.97 30.24 3coo h ARG 46 CO -0.50 0.67 -0.27 -0.84 -1.07 0.00 0.00 179.97 177.96 3coo h ILE 47 N 1.04 1.32 0.00 2.04 3.07 -1.20 -2.82 117.51 120.96 3coo h ILE 47 Ca 0.29 -1.45 -0.00 0.00 1.55 0.00 0.00 64.86 65.25 3coo h ILE 47 Cb -0.09 1.70 -0.00 0.00 -0.27 0.00 0.00 36.82 38.16 3coo h ILE 47 CO -0.07 0.45 -0.00 -0.07 -1.05 0.00 0.00 178.15 177.41 3coo h LEU 48 N 0.31 0.00 -2.68 0.16 3.38 -0.24 -2.66 115.31 113.58 3coo h LEU 48 Ca 0.03 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.00 3coo h LEU 48 Cb 0.84 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.59 3coo h LEU 48 CO 0.07 0.00 0.00 0.54 0.09 0.00 0.00 178.44 179.14 3coo n ARG 49 N -3.25 2.55 -0.21 1.13 1.74 -0.46 -4.71 116.66 113.44 3coo n ARG 49 Ca -0.03 -1.92 -0.01 0.00 -0.77 0.00 0.00 57.85 55.13 3coo n ARG 49 Cb 0.09 -1.26 0.22 0.00 -1.02 0.00 0.00 32.46 30.49 3coo n ARG 49 CO 0.00 0.00 0.00 0.00 -1.52 0.00 0.00 177.63 176.11 3coo h ALA 50 N 2.02 1.38 -0.30 7.54 0.00 -1.22 -1.89 119.26 126.79 3coo h ALA 50 Ca 0.00 -0.09 0.00 0.00 0.00 0.00 0.00 54.91 54.82 3coo h ALA 50 Cb 0.69 -0.29 0.00 0.00 0.00 0.00 0.00 17.79 18.19 3coo h ALA 50 CO 0.00 0.53 0.00 1.04 0.00 0.00 0.00 179.25 180.82 3coo n GLN 51 N -4.38 3.01 -3.11 0.00 6.02 -1.26 -5.05 117.38 112.60 3coo n GLN 51 Ca 0.07 -2.69 -0.32 0.00 -0.01 0.00 0.00 57.00 54.05 3coo n GLN 51 Cb 0.08 -1.74 -0.06 0.00 1.02 0.00 0.00 30.24 29.54 3coo n GLN 51 CO 0.00 0.00 0.00 0.20 -1.01 0.00 0.00 177.06 176.25 3coo s GLY 52 N -1.68 2.30 -0.24 1.08 0.00 -0.71 -4.30 107.32 103.77 3coo s GLY 52 Ca 0.39 0.03 -0.06 0.00 0.00 0.00 0.00 44.72 45.08 3coo s GLY 52 CO 0.11 0.24 0.03 -1.59 0.00 0.00 0.00 173.10 171.89 3coo s THR 53 N -2.02 3.97 -0.04 0.90 2.01 0.38 -4.97 115.64 115.87 3coo s THR 53 Ca 0.54 -0.33 -0.30 0.00 0.31 0.00 0.00 61.69 61.91 3coo s THR 53 Cb -0.10 -2.86 -0.05 0.00 0.01 0.00 0.00 72.50 69.50 3coo s THR 53 CO 0.18 0.34 1.47 -0.60 -0.69 0.00 0.00 174.62 175.32 3coo s ARG 54 N 1.56 4.24 -0.37 4.92 3.52 -1.26 -2.34 118.95 129.22 3coo s ARG 54 Ca 0.06 2.00 0.00 0.00 -0.13 0.00 0.00 55.73 57.66 3coo s ARG 54 Cb -0.15 -3.72 0.12 0.00 -1.56 0.00 0.00 34.95 29.63 3coo s ARG 54 CO 0.01 -0.68 0.17 0.50 -0.81 0.00 0.00 175.30 174.48 3coo s ARG 55 N 3.07 0.93 0.64 5.12 3.52 -0.15 -4.94 118.95 127.14 3coo s ARG 55 Ca 0.66 -1.48 -0.13 0.00 -0.13 0.00 0.00 55.73 54.64 3coo s ARG 55 Cb -0.31 -2.06 -0.02 0.00 -1.56 0.00 0.00 34.95 31.01 3coo s ARG 55 CO 0.26 -1.08 1.05 -1.21 -0.81 0.00 0.00 175.30 173.51 3coo s GLU 56 N 1.05 3.19 0.16 5.12 0.41 -1.26 -4.56 118.70 122.80 3coo s GLU 56 Ca 0.14 1.04 0.00 0.00 -0.41 0.00 0.00 54.97 55.74 3coo s GLU 56 Cb -0.21 -2.02 0.00 0.00 -1.78 0.00 0.00 34.13 30.12 3coo s GLU 56 CO -0.12 -0.90 0.00 0.41 -0.49 0.00 0.00 175.26 174.16 3coo n GLY 57 N -1.60 -1.89 3.70 -1.39 0.00 -0.02 -4.94 105.19 99.06 3coo n GLY 57 Ca 0.08 -1.96 -0.36 0.00 0.00 0.00 0.00 46.02 43.78 3coo n GLY 57 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 3coo s TYR 58 N 0.00 3.39 0.28 1.61 1.51 -1.26 -1.21 117.35 121.67 3coo s TYR 58 Ca 0.00 0.41 0.04 0.00 -1.01 0.00 0.00 57.07 56.51 3coo s TYR 58 Cb 0.00 -2.29 -0.01 0.00 -0.11 0.00 0.00 41.96 39.54 3coo s TYR 58 CO 0.00 0.17 0.14 2.41 -1.11 0.00 0.00 175.55 177.16 3coo n THR 59 N 3.87 0.00 1.08 -0.71 -1.04 -1.26 -4.92 114.28 111.30 3coo n THR 59 Ca -0.13 -1.74 0.12 0.00 -2.04 0.00 0.00 64.05 60.25 3coo n THR 59 Cb 0.52 0.71 0.59 0.00 -1.82 0.00 0.00 70.33 70.33 3coo n THR 59 CO 0.00 0.00 0.00 -1.84 -0.64 0.00 0.00 175.07 172.59 3coo n GLU 60 N -0.59 0.29 -4.59 -2.82 0.00 -1.26 -4.68 120.64 106.98 3coo n GLU 60 Ca -0.01 0.07 -0.33 0.00 0.00 0.00 0.00 57.16 56.89 3coo n GLU 60 Cb 0.44 -1.50 -0.13 0.00 0.00 0.00 0.00 31.44 30.25 3coo n GLU 60 CO 0.00 0.00 0.00 -0.06 0.00 0.00 0.00 177.13 177.07 3coo s PHE 61 N -2.63 2.91 -0.06 -1.84 0.08 -1.26 -0.27 117.98 114.90 3coo s PHE 61 Ca 0.21 -0.50 0.02 0.00 0.12 0.00 0.00 56.93 56.78 3coo s PHE 61 Cb 0.16 -1.90 0.01 0.00 -0.57 0.00 0.00 43.02 40.72 3coo s PHE 61 CO 0.37 -0.14 -0.12 -1.12 -0.10 0.00 0.00 175.22 174.11 3coo s SER 62 N 0.38 1.74 -0.22 1.36 0.01 0.22 -4.16 113.70 113.04 3coo s SER 62 Ca -0.08 -0.29 -0.09 0.00 1.31 0.00 0.00 55.95 56.81 3coo s SER 62 Cb -0.15 -0.76 -0.04 0.00 0.21 0.00 0.00 66.02 65.27 3coo s SER 62 CO 0.04 0.04 0.10 -0.22 0.41 0.00 0.00 173.24 173.62 3coo s LEU 63 N 0.59 3.85 0.08 2.44 2.96 0.16 -1.53 118.68 127.23 3coo s LEU 63 Ca -0.13 0.03 -0.00 0.00 -0.22 0.00 0.00 54.13 53.81 3coo s LEU 63 Cb -0.15 -2.01 -0.04 0.00 0.50 0.00 0.00 46.19 44.49 3coo s LEU 63 CO 0.03 0.09 -0.02 -0.13 -1.32 0.00 0.00 176.35 175.00 3coo s ARG 64 N 0.90 0.75 -0.17 1.98 0.52 -0.21 -4.73 118.95 118.00 3coo s ARG 64 Ca 0.05 -1.31 -0.01 0.00 -0.52 0.00 0.00 55.73 53.95 3coo s ARG 64 Cb -0.13 0.08 -0.00 0.00 0.52 0.00 0.00 34.95 35.41 3coo s ARG 64 CO 0.03 -0.11 -0.12 0.08 0.02 0.00 0.00 175.30 175.19 3coo s VAL 65 N -3.85 2.85 0.29 3.52 1.01 -1.26 -0.72 120.40 122.24 3coo s VAL 65 Ca 0.12 -0.70 -0.30 0.00 0.00 0.00 0.00 61.98 61.10 3coo s VAL 65 Cb 0.07 -2.23 -0.12 0.00 0.00 0.00 0.00 36.38 34.10 3coo s VAL 65 CO -0.06 0.50 1.61 -0.62 0.00 0.00 0.00 175.10 176.52 3coo n GLU 66 N 4.22 2.71 -0.18 2.72 1.02 0.04 -1.10 120.64 130.07 3coo n GLU 66 Ca -0.19 0.97 0.00 0.00 -0.02 0.00 0.00 57.16 57.92 3coo n GLU 66 Cb 0.51 -2.75 0.00 0.00 -0.02 0.00 0.00 31.44 29.18 3coo n GLU 66 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 3coo n GLY 67 N 2.27 0.75 3.89 0.62 0.00 -1.26 -4.62 105.19 106.84 3coo n GLY 67 Ca 0.09 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 45.74 3coo n GLY 67 CO 0.00 0.00 0.00 1.34 0.00 0.00 0.00 173.32 174.66 3coo n ASP 68 N 0.00 -4.11 -4.77 1.61 2.03 -0.26 -4.89 116.55 106.16 3coo n ASP 68 Ca 0.00 -1.14 -0.37 0.00 0.52 0.00 0.00 54.79 53.80 3coo n ASP 68 Cb 0.00 -2.61 0.00 0.00 -0.72 0.00 0.00 41.12 37.79 3coo n ASP 68 CO 0.00 0.00 0.00 -2.16 -1.92 0.00 0.00 177.20 173.12 3coo s PRO 69 N -6.66 3.61 0.29 -0.67 0.04 -1.26 -4.95 135.00 125.39 3coo s PRO 69 Ca 0.42 1.88 0.18 0.00 0.04 0.00 0.00 61.00 63.51 3coo s PRO 69 Cb -0.19 -2.37 0.11 0.00 0.04 0.00 0.00 34.50 32.09 3coo s PRO 69 CO 0.91 -0.70 1.40 -0.44 0.04 0.00 0.00 177.00 178.20 3coo h ASP 70 N 1.90 0.00 -5.14 6.66 3.32 -1.98 -3.48 116.42 117.71 3coo h ASP 70 Ca -0.50 0.00 -0.00 0.00 0.02 0.00 0.00 57.03 56.55 3coo h ASP 70 Cb 1.26 0.00 -0.07 0.00 0.22 0.00 0.00 39.33 40.74 3coo h ASP 70 CO 0.59 0.36 0.04 0.72 -1.72 0.00 0.00 179.24 179.24 3coo s PHE 71 N -3.04 0.13 0.06 4.55 -0.12 -1.26 -4.57 117.98 113.73 3coo s PHE 71 Ca 0.04 -0.54 0.01 0.00 -0.05 0.00 0.00 56.93 56.39 3coo s PHE 71 Cb 0.07 0.43 -0.04 0.00 -0.63 0.00 0.00 43.02 42.85 3coo s PHE 71 CO 0.74 -1.12 0.12 1.52 -0.05 0.00 0.00 175.22 176.43 3coo s TYR 72 N -3.91 3.32 -0.24 3.49 1.13 -0.09 -4.90 117.35 116.14 3coo s TYR 72 Ca 0.17 0.16 -0.10 0.00 -1.41 0.00 0.00 57.07 55.89 3coo s TYR 72 Cb -0.03 -1.69 -0.05 0.00 -1.10 0.00 0.00 41.96 39.10 3coo s TYR 72 CO 0.08 0.55 0.14 0.15 -2.51 0.00 0.00 175.55 173.97 3coo s LYS 73 N -2.34 3.99 -0.04 -3.49 1.02 -1.26 -4.18 119.74 113.44 3coo s LYS 73 Ca 0.30 -0.31 -0.39 0.00 0.02 0.00 0.00 55.97 55.58 3coo s LYS 73 Cb -0.12 -3.49 -0.18 0.00 -0.52 0.00 0.00 37.83 33.51 3coo s LYS 73 CO 0.23 0.02 1.28 -2.30 -0.92 0.00 0.00 175.35 173.66 3coo n PRO 74 N 4.39 0.53 -0.77 -1.68 -0.02 -1.26 -1.58 135.00 134.62 3coo n PRO 74 Ca -0.15 0.19 0.00 0.00 -2.02 0.00 0.00 63.50 61.52 3coo n PRO 74 Cb 0.52 -1.76 0.00 0.00 -0.02 0.00 0.00 33.50 32.24 3coo n PRO 74 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 3coo n GLY 75 N 2.37 1.40 3.77 -1.23 0.00 -0.47 -4.97 105.19 106.06 3coo n GLY 75 Ca 0.21 0.00 -0.38 0.00 0.00 0.00 0.00 46.02 45.85 3coo n GLY 75 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 3coo s THR 76 N -3.74 4.23 -0.00 2.61 2.01 -0.61 -4.72 115.64 115.41 3coo s THR 76 Ca 0.00 1.83 -0.17 0.00 0.31 0.00 0.00 61.69 63.66 3coo s THR 76 Cb 0.00 -4.11 -0.06 0.00 0.01 0.00 0.00 72.50 68.35 3coo s THR 76 CO 0.00 0.31 0.48 -0.94 -0.69 0.00 0.00 174.62 173.77 3coo s SER 77 N -1.43 6.87 0.03 3.53 1.04 -1.26 -1.43 113.70 121.05 3coo s SER 77 Ca 0.45 1.03 0.08 0.00 0.48 0.00 0.00 55.95 57.99 3coo s SER 77 Cb -0.21 -2.29 -0.03 0.00 0.10 0.00 0.00 66.02 63.59 3coo s SER 77 CO 0.26 0.24 -0.25 -0.31 0.98 0.00 0.00 173.24 174.17 3coo s TYR 78 N -0.73 2.17 -0.38 5.02 2.02 -0.34 -4.94 117.35 120.16 3coo s TYR 78 Ca 0.26 -0.40 -0.19 0.00 -0.37 0.00 0.00 57.07 56.37 3coo s TYR 78 Cb -0.17 -1.31 0.01 0.00 -0.40 0.00 0.00 41.96 40.08 3coo s TYR 78 CO 0.15 0.09 0.55 0.50 -1.57 0.00 0.00 175.55 175.27 3coo s ARG 79 N -1.10 3.51 -0.14 -0.62 3.52 -1.26 -0.75 118.95 122.11 3coo s ARG 79 Ca 0.10 -0.23 -0.11 0.00 -0.13 0.00 0.00 55.73 55.36 3coo s ARG 79 Cb -0.10 -3.85 -0.05 0.00 -1.56 0.00 0.00 34.95 29.39 3coo s ARG 79 CO 0.01 -0.76 0.23 0.08 -0.81 0.00 0.00 175.30 174.06 3coo s VAL 80 N 2.51 5.35 0.11 7.11 1.01 0.57 -0.78 120.40 136.28 3coo s VAL 80 Ca 0.20 0.41 0.09 0.00 0.00 0.00 0.00 61.98 62.68 3coo s VAL 80 Cb -0.15 -3.54 -0.04 0.00 0.00 0.00 0.00 36.38 32.65 3coo s VAL 80 CO 0.15 0.49 -0.23 0.42 0.00 0.00 0.00 175.10 175.93 3coo s THR 81 N -0.18 1.88 -0.16 3.92 -4.23 0.10 -1.26 115.64 115.71 3coo s THR 81 Ca 0.15 -1.60 -0.01 0.00 -1.18 0.00 0.00 61.69 59.05 3coo s THR 81 Cb -0.13 -1.69 0.04 0.00 1.34 0.00 0.00 72.50 72.06 3coo s THR 81 CO 0.04 -0.01 -0.03 -0.22 -0.54 0.00 0.00 174.62 173.86 3coo s LEU 82 N -1.94 1.45 0.09 4.79 2.96 -0.53 -1.04 118.68 124.46 3coo s LEU 82 Ca 0.09 -0.63 0.01 0.00 -0.22 0.00 0.00 54.13 53.37 3coo s LEU 82 Cb -0.10 -0.82 -0.04 0.00 0.50 0.00 0.00 46.19 45.73 3coo s LEU 82 CO 0.05 -0.20 -0.06 -0.94 -1.32 0.00 0.00 176.35 173.88 3coo s SER 83 N 1.70 0.98 -0.16 3.68 1.04 -0.58 -1.13 113.70 119.22 3coo s SER 83 Ca 0.01 -1.01 -0.06 0.00 0.48 0.00 0.00 55.95 55.37 3coo s SER 83 Cb -0.15 0.12 -0.04 0.00 0.10 0.00 0.00 66.02 66.05 3coo s SER 83 CO -0.07 -0.50 0.04 0.00 0.98 0.00 0.00 173.24 173.68 3coo s ALA 84 N -3.70 3.33 0.30 5.32 0.00 -0.32 -0.61 121.76 126.08 3coo s ALA 84 Ca 0.11 -0.76 -0.29 0.00 0.00 0.00 0.00 51.96 51.01 3coo s ALA 84 Cb 0.06 -1.78 -0.10 0.00 0.00 0.00 0.00 23.12 21.30 3coo s ALA 84 CO -0.06 0.28 1.31 0.00 0.00 0.00 0.00 175.76 177.28 3coo s ALA 85 N 0.09 3.51 0.37 0.00 0.00 0.62 -4.78 121.76 121.58 3coo s ALA 85 Ca 0.04 1.21 -0.28 0.00 0.00 0.00 0.00 51.96 52.94 3coo s ALA 85 Cb -0.13 -3.48 -0.10 0.00 0.00 0.00 0.00 23.12 19.42 3coo s ALA 85 CO 0.01 -0.60 1.37 -2.14 0.00 0.00 0.00 175.76 174.40 3coo s PRO 86 N -1.33 4.14 -0.24 0.00 0.02 -1.26 -0.29 135.00 136.04 3coo s PRO 86 Ca 0.51 2.32 0.06 0.00 0.02 0.00 0.00 61.00 63.91 3coo s PRO 86 Cb -0.39 -2.93 0.50 0.00 0.02 0.00 0.00 34.50 31.69 3coo s PRO 86 CO 0.48 -0.41 1.50 -0.35 -0.33 0.00 0.00 177.00 177.90 3coo n PRO 87 N 0.46 2.63 -1.68 5.54 -0.04 -1.26 -5.12 135.00 135.52 3coo n PRO 87 Ca 0.02 -2.08 -0.29 0.00 -0.04 0.00 0.00 63.50 61.11 3coo n PRO 87 Cb 0.41 -1.89 0.12 0.00 -0.04 0.00 0.00 33.50 32.10 3coo n PRO 87 CO 0.00 0.00 0.00 0.45 -0.04 0.00 0.00 175.50 175.91 3coo s SER 88 N -0.54 3.79 0.25 3.54 0.15 0.60 -5.10 113.70 116.40 3coo s SER 88 Ca 0.38 0.85 -0.22 0.00 0.70 0.00 0.00 55.95 57.66 3coo s SER 88 Cb 0.31 -1.35 0.03 0.00 -1.71 0.00 0.00 66.02 63.29 3coo s SER 88 CO 0.09 -2.36 0.72 -0.72 1.20 0.00 0.00 173.24 172.17 3coo s TYR 89 N -3.42 -0.24 0.11 3.44 -0.85 -1.26 -4.71 117.35 110.42 3coo s TYR 89 Ca 0.64 -0.17 0.03 0.00 -0.52 0.00 0.00 57.07 57.05 3coo s TYR 89 Cb -0.13 0.68 -0.04 0.00 0.38 0.00 0.00 41.96 42.85 3coo s TYR 89 CO 0.52 -1.14 -0.08 -0.59 -1.52 0.00 0.00 175.55 172.73 3coo s PHE 90 N -3.84 1.02 -0.04 -3.49 -0.71 -0.35 -4.71 117.98 105.86 3coo s PHE 90 Ca 0.10 -0.79 0.10 0.00 -1.04 0.00 0.00 56.93 55.30 3coo s PHE 90 Cb -0.05 -0.56 -0.16 0.00 -1.21 0.00 0.00 43.02 41.04 3coo s PHE 90 CO 0.03 -0.05 0.24 0.54 -1.34 0.00 0.00 175.22 174.65 3coo n ARG 91 N 0.15 0.50 -3.64 1.99 1.74 0.42 -0.73 116.66 117.08 3coo n ARG 91 Ca -0.13 -0.09 -0.12 0.00 -0.77 0.00 0.00 57.85 56.74 3coo n ARG 91 Cb 0.60 -1.23 -0.05 0.00 -1.02 0.00 0.00 32.46 30.75 3coo n ARG 91 CO 0.00 0.00 0.00 0.20 -1.52 0.00 0.00 177.63 176.31 3coo s GLY 92 N -3.12 -0.28 0.25 -0.13 0.00 -0.90 -2.88 107.32 100.25 3coo s GLY 92 Ca -0.03 0.13 -0.20 0.00 0.00 0.00 0.00 44.72 44.61 3coo s GLY 92 CO 0.43 -0.13 0.66 -0.11 0.00 0.00 0.00 173.10 173.95 3coo s PHE 93 N -3.19 -0.21 0.10 1.90 -0.71 -1.26 -1.36 117.98 113.25 3coo s PHE 93 Ca -0.01 -0.19 0.03 0.00 -1.04 0.00 0.00 56.93 55.72 3coo s PHE 93 Cb 0.01 0.62 -0.04 0.00 -1.21 0.00 0.00 43.02 42.40 3coo s PHE 93 CO -0.08 -1.12 -0.08 0.95 -1.34 0.00 0.00 175.22 173.55 3coo s THR 94 N -3.89 0.79 -0.10 -4.49 -4.23 -0.48 -3.48 115.64 99.76 3coo s THR 94 Ca 0.10 -1.76 -0.05 0.00 -1.18 0.00 0.00 61.69 58.80 3coo s THR 94 Cb -0.04 -1.47 0.04 0.00 1.34 0.00 0.00 72.50 72.37 3coo s THR 94 CO 0.03 -0.71 0.24 -0.22 -0.54 0.00 0.00 174.62 173.42 3coo s LEU 95 N -2.70 0.47 0.02 4.79 0.20 0.09 -0.84 118.68 120.71 3coo s LEU 95 Ca 0.08 0.51 0.00 0.00 0.69 0.00 0.00 54.13 55.41 3coo s LEU 95 Cb 0.01 0.73 -0.02 0.00 -0.43 0.00 0.00 46.19 46.47 3coo s LEU 95 CO -0.02 -0.16 -0.03 -0.51 -0.29 0.00 0.00 176.35 175.33 3coo s ILE 96 N 1.19 0.15 -0.11 6.68 2.07 -0.42 -0.60 121.20 130.16 3coo s ILE 96 Ca -0.09 -0.96 0.01 0.00 -1.41 0.00 0.00 60.65 58.20 3coo s ILE 96 Cb -0.10 -0.34 -0.02 0.00 0.13 0.00 0.00 42.46 42.13 3coo s ILE 96 CO -0.08 -0.51 -0.13 0.00 -1.91 0.00 0.00 174.94 172.31 3coo s ALA 97 N -1.56 2.63 0.09 1.50 0.00 -1.26 -1.10 121.76 122.06 3coo s ALA 97 Ca -0.14 -0.91 0.03 0.00 0.00 0.00 0.00 51.96 50.94 3coo s ALA 97 Cb -0.09 -1.16 -0.04 0.00 0.00 0.00 0.00 23.12 21.84 3coo s ALA 97 CO -0.01 0.32 -0.09 -0.48 0.00 0.00 0.00 175.76 175.50 3coo s LEU 98 N 0.11 2.41 0.27 0.00 -0.00 0.10 -4.71 118.68 116.86 3coo s LEU 98 Ca -0.06 -0.82 -0.29 0.00 -0.00 0.00 0.00 54.13 52.95 3coo s LEU 98 Cb -0.15 -0.24 -0.10 0.00 -0.00 0.00 0.00 46.19 45.71 3coo s LEU 98 CO 0.05 -0.30 1.31 -0.13 -0.00 0.00 0.00 176.35 177.27 3coo s ARG 99 N -2.87 4.38 -0.02 1.48 0.52 -1.13 0.08 118.95 121.39 3coo s ARG 99 Ca 0.05 2.13 -0.00 0.00 -0.52 0.00 0.00 55.73 57.39 3coo s ARG 99 Cb -0.02 -3.13 -0.01 0.00 0.52 0.00 0.00 34.95 32.31 3coo s ARG 99 CO -0.01 -0.20 0.78 -1.91 0.02 0.00 0.00 175.30 173.98 3coo n GLU 100 N 1.68 0.13 -3.53 3.54 2.13 -0.22 -3.90 120.64 120.47 3coo n GLU 100 Ca 0.03 -0.19 -0.03 0.00 0.66 0.00 0.00 57.16 57.62 3coo n GLU 100 Cb 0.42 -1.66 -0.06 0.00 0.27 0.00 0.00 31.44 30.42 3coo n GLU 100 CO 0.00 0.00 0.00 -1.21 -0.41 0.00 0.00 177.13 175.51 3coo s GLU 107 N 3.39 0.48 0.00 5.31 2.02 -1.26 -4.99 118.70 123.65 3coo s GLU 107 Ca 0.04 1.16 0.00 0.00 0.02 0.00 0.00 54.97 56.18 3coo s GLU 107 Cb 0.02 0.52 0.00 0.00 0.10 0.00 0.00 34.13 34.76 3coo s GLU 107 CO -0.00 -0.33 0.00 -1.91 0.02 0.00 0.00 175.26 173.04 3coo n GLU 108 N 5.42 0.53 -2.65 1.61 2.13 -1.25 -4.82 120.64 121.61 3coo n GLU 108 Ca -0.08 0.00 -0.08 0.00 0.66 0.00 0.00 57.16 57.66 3coo n GLU 108 Cb 0.50 0.00 0.04 0.00 0.27 0.00 0.00 31.44 32.24 3coo n GLU 108 CO 0.00 0.00 0.00 -0.25 -0.41 0.00 0.00 177.13 176.47 3coo n ASP 109 N 0.00 2.26 -3.56 4.31 8.00 -1.26 -2.85 116.55 123.45 3coo n ASP 109 Ca 0.00 -2.56 -0.39 0.00 0.71 0.00 0.00 54.79 52.55 3coo n ASP 109 Cb 0.00 -0.47 0.01 0.00 -0.02 0.00 0.00 41.12 40.64 3coo n ASP 109 CO 0.00 0.00 0.00 1.41 -0.39 0.00 0.00 177.20 178.22 3coo n HIS 110 N -0.48 2.93 -2.09 1.24 8.25 -1.26 -4.85 115.22 118.96 3coo n HIS 110 Ca 0.15 -2.78 -0.27 0.00 -0.26 0.00 0.00 57.72 54.57 3coo n HIS 110 Cb 0.82 -1.10 0.02 0.00 1.12 0.00 0.00 29.99 30.86 3coo n HIS 110 CO 0.00 0.00 0.00 0.00 0.64 0.00 0.00 176.34 176.98 3coo n ALA 111 N -0.01 5.22 -0.12 -1.41 0.00 -1.26 -4.90 120.51 118.02 3coo n ALA 111 Ca 0.44 -3.94 0.01 0.00 0.00 0.00 0.00 53.44 49.94 3coo n ALA 111 Cb 0.28 -0.58 -0.00 0.00 0.00 0.00 0.00 19.45 19.15 3coo n ALA 111 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3coo n GLY 112 N -0.65 -2.07 2.85 0.00 0.00 -1.26 -4.72 105.19 99.33 3coo n GLY 112 Ca 0.45 -1.42 -0.19 0.00 0.00 0.00 0.00 46.02 44.86 3coo n GLY 112 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 3coo s THR 113 N -0.39 0.35 0.40 2.61 2.01 -0.79 -4.96 115.64 114.88 3coo s THR 113 Ca 0.00 -0.01 -0.15 0.00 0.31 0.00 0.00 61.69 61.85 3coo s THR 113 Cb 0.00 -0.42 -0.08 0.00 0.01 0.00 0.00 72.50 72.01 3coo s THR 113 CO 0.00 0.19 0.83 -0.36 -0.69 0.00 0.00 174.62 174.59 3coo s PHE 114 N 1.02 3.41 -0.05 4.92 0.08 -1.26 0.34 117.98 126.45 3coo s PHE 114 Ca -0.10 1.27 0.01 0.00 0.12 0.00 0.00 56.93 58.23 3coo s PHE 114 Cb -0.14 -2.60 0.02 0.00 -0.57 0.00 0.00 43.02 39.73 3coo s PHE 114 CO -0.01 -0.09 -0.05 -1.14 -0.10 0.00 0.00 175.22 173.83 3coo s GLN 115 N -3.51 0.90 0.19 0.44 0.74 0.13 -4.92 119.66 113.62 3coo s GLN 115 Ca 0.55 -0.11 -0.30 0.00 0.05 0.00 0.00 55.36 55.55 3coo s GLN 115 Cb -0.10 -0.94 -0.08 0.00 1.10 0.00 0.00 33.01 32.99 3coo s GLN 115 CO 0.24 -0.11 1.27 0.42 -0.55 0.00 0.00 175.29 176.55 3coo s ILE 116 N 1.09 3.37 -0.27 -2.34 -1.09 -1.26 -1.24 121.20 119.46 3coo s ILE 116 Ca -0.08 1.13 -0.15 0.00 -2.23 0.00 0.00 60.65 59.32 3coo s ILE 116 Cb -0.14 -3.72 -0.12 0.00 -1.58 0.00 0.00 42.46 36.90 3coo s ILE 116 CO -0.01 0.17 -0.31 -0.38 -1.23 0.00 0.00 174.94 173.17 3coo n ILE 117 N 2.66 1.53 -3.80 2.92 5.41 -1.26 -4.88 119.36 121.94 3coo n ILE 117 Ca 0.06 -0.32 -0.36 0.00 1.00 0.00 0.00 62.75 63.13 3coo n ILE 117 Cb 0.44 -1.93 -0.12 0.00 -0.71 0.00 0.00 39.64 37.31 3coo n ILE 117 CO 0.00 0.00 0.00 -1.81 0.00 0.00 0.00 176.55 174.74 3coo s ASP 118 N -7.32 5.21 0.47 4.38 1.01 -1.26 -4.94 116.67 114.21 3coo s ASP 118 Ca -0.37 -2.04 0.25 0.00 0.71 0.00 0.00 52.55 51.10 3coo s ASP 118 Cb 0.13 -1.81 1.11 0.00 1.01 0.00 0.00 42.92 43.37 3coo s ASP 118 CO 0.49 -0.53 1.92 -0.33 0.21 0.00 0.00 175.17 176.93 3coo h GLU 119 N 8.01 0.00 0.00 8.23 5.08 -1.90 -1.40 114.58 132.59 3coo h GLU 119 Ca -0.12 0.00 -0.02 0.00 -1.00 0.00 0.00 59.36 58.21 3coo h GLU 119 Cb 1.05 0.00 -0.00 0.00 0.50 0.00 0.00 28.75 30.29 3coo h GLU 119 CO 0.68 0.20 -0.11 0.93 -1.00 0.00 0.00 179.01 179.71 3coo h GLU 120 N 0.00 0.00 0.00 2.33 5.08 -2.02 -3.33 114.58 116.64 3coo h GLU 120 Ca -0.00 0.00 -0.01 0.00 -1.00 0.00 0.00 59.36 58.35 3coo h GLU 120 Cb 0.59 0.00 -0.00 0.00 0.50 0.00 0.00 28.75 29.84 3coo h GLU 120 CO 0.03 0.11 -1.15 0.39 -1.00 0.00 0.00 179.01 177.39 3coo n GLU 121 N -3.51 0.75 -3.96 2.33 -0.58 -0.91 -4.72 120.64 110.04 3coo n GLU 121 Ca -0.01 -0.02 -0.08 0.00 -0.42 0.00 0.00 57.16 56.62 3coo n GLU 121 Cb 0.26 -1.07 -0.09 0.00 -0.57 0.00 0.00 31.44 29.97 3coo n GLU 121 CO 0.00 0.00 0.00 0.95 -0.48 0.00 0.00 177.13 177.60 3coo s THR 122 N -2.19 0.18 0.16 2.62 -4.23 -0.58 -1.43 115.64 110.18 3coo s THR 122 Ca -0.01 -1.45 -0.24 0.00 -1.18 0.00 0.00 61.69 58.81 3coo s THR 122 Cb 0.02 -1.40 0.06 0.00 1.34 0.00 0.00 72.50 72.52 3coo s THR 122 CO 0.13 -0.80 0.81 0.00 -0.54 0.00 0.00 174.62 174.22 3coo s GLN 123 N -3.83 1.31 0.38 3.99 -2.07 -0.26 -4.44 119.66 114.75 3coo s GLN 123 Ca 0.05 -0.65 -0.26 0.00 -1.82 0.00 0.00 55.36 52.68 3coo s GLN 123 Cb 0.06 0.49 -0.09 0.00 -1.09 0.00 0.00 33.01 32.39 3coo s GLN 123 CO -0.10 -0.59 1.19 -0.06 -1.32 0.00 0.00 175.29 174.40 3coo s PHE 124 N -3.52 3.09 -0.09 9.60 0.08 -1.26 -1.14 117.98 124.74 3coo s PHE 124 Ca 0.08 1.54 -0.29 0.00 0.12 0.00 0.00 56.93 58.38 3coo s PHE 124 Cb -0.03 -3.44 -0.02 0.00 -0.57 0.00 0.00 43.02 38.97 3coo s PHE 124 CO -0.01 -1.37 0.98 1.41 -0.10 0.00 0.00 175.22 176.13 3coo s MET 125 N -2.16 4.43 0.42 0.44 -2.45 -0.42 -4.84 119.30 114.72 3coo s MET 125 Ca 0.55 1.36 0.12 0.00 -1.25 0.00 0.00 55.69 56.47 3coo s MET 125 Cb -0.32 -3.53 0.92 0.00 1.25 0.00 0.00 34.83 33.15 3coo s MET 125 CO 0.41 -0.27 1.98 0.66 1.05 0.00 0.00 175.02 178.85 3coo h SER 126 N 7.06 0.12 0.85 1.11 4.64 -1.94 -1.58 113.55 123.82 3coo h SER 126 Ca -0.32 -0.02 -0.03 0.00 -0.47 0.00 0.00 61.79 60.95 3coo h SER 126 Cb 1.16 -0.03 -0.00 0.00 -0.31 0.00 0.00 62.40 63.21 3coo h SER 126 CO 0.84 0.26 -0.12 0.78 -0.87 0.00 0.00 176.83 177.72 3coo h ASN 127 N 0.13 0.00 -1.01 4.97 4.21 -1.98 -3.38 115.58 118.52 3coo h ASN 127 Ca 0.03 0.00 -0.12 0.00 1.21 0.00 0.00 56.30 57.41 3coo h ASN 127 Cb 0.30 0.00 -0.17 0.00 -1.12 0.00 0.00 38.32 37.33 3coo h ASN 127 CO 0.02 0.12 -0.48 0.00 -1.29 0.00 0.00 177.43 175.80 3coo h PRO 129 N 5.62 0.00 0.00 0.00 0.11 -1.51 0.82 132.00 137.04 3coo h PRO 129 Ca 0.06 0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.17 3coo h PRO 129 Cb 1.13 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.24 3coo h PRO 129 CO 0.04 0.00 -0.19 1.55 -0.21 0.00 0.00 178.00 179.19 3coo n VAL 130 N -2.41 0.51 -3.67 3.15 3.14 -1.26 -4.58 118.33 113.20 3coo n VAL 130 Ca -0.01 -0.28 -0.30 0.00 -2.96 0.00 0.00 64.34 60.80 3coo n VAL 130 Cb 0.10 -0.44 -0.04 0.00 -1.06 0.00 0.00 33.84 32.40 3coo n VAL 130 CO 0.00 0.00 0.00 0.00 -6.46 0.00 0.00 176.83 170.37 3coo s ALA 131 N -3.12 3.81 0.05 1.55 0.00 0.28 -4.72 121.76 119.60 3coo s ALA 131 Ca 0.09 -0.66 0.02 0.00 0.00 0.00 0.00 51.96 51.42 3coo s ALA 131 Cb 0.13 -2.08 -0.04 0.00 0.00 0.00 0.00 23.12 21.13 3coo s ALA 131 CO 0.63 0.58 0.05 0.08 0.00 0.00 0.00 175.76 177.10 3coo s VAL 132 N -1.74 4.40 0.26 0.00 1.01 0.23 -1.30 120.40 123.25 3coo s VAL 132 Ca 0.40 -0.69 -0.18 0.00 0.00 0.00 0.00 61.98 61.51 3coo s VAL 132 Cb -0.12 -3.06 0.01 0.00 0.00 0.00 0.00 36.38 33.22 3coo s VAL 132 CO 0.26 0.23 0.63 0.28 0.00 0.00 0.00 175.10 176.50 3coo s THR 133 N -1.27 0.00 0.52 3.92 -1.32 -0.29 -0.73 115.64 116.47 3coo s THR 133 Ca 0.25 -1.09 -0.20 0.00 -1.21 0.00 0.00 61.69 59.44 3coo s THR 133 Cb -0.12 -2.01 -0.06 0.00 -1.51 0.00 0.00 72.50 68.80 3coo s THR 133 CO 0.17 -0.01 1.13 -1.83 -2.21 0.00 0.00 174.62 171.87 3coo s GLU 134 N -3.94 3.50 0.26 7.08 1.03 -1.23 -1.10 118.70 124.29 3coo s GLU 134 Ca 0.14 1.64 0.14 0.00 0.03 0.00 0.00 54.97 56.92 3coo s GLU 134 Cb -0.04 -2.12 0.08 0.00 -0.80 0.00 0.00 34.13 31.25 3coo s GLU 134 CO 0.06 -0.74 1.44 0.66 -1.33 0.00 0.00 175.26 175.36 3coo h SER 135 N 1.46 0.00 -4.41 0.83 4.64 -1.50 -3.43 113.55 111.16 3coo h SER 135 Ca -0.50 0.00 -0.01 0.00 -0.47 0.00 0.00 61.79 60.81 3coo h SER 135 Cb 1.26 0.00 -0.21 0.00 -0.31 0.00 0.00 62.40 63.14 3coo h SER 135 CO 0.58 0.59 0.28 0.28 -0.87 0.00 0.00 176.83 177.69 3coo s THR 136 N -2.98 0.00 0.13 2.95 -1.32 -1.26 -5.02 115.64 108.14 3coo s THR 136 Ca 0.03 0.00 -0.31 0.00 -1.21 0.00 0.00 61.69 60.20 3coo s THR 136 Cb 0.08 -1.00 -0.09 0.00 -1.51 0.00 0.00 72.50 69.99 3coo s THR 136 CO 0.75 0.00 1.47 -2.16 -2.21 0.00 0.00 174.62 172.48 3coo s PRO 137 N -0.67 4.27 -0.23 7.08 0.04 -1.26 -4.89 135.00 139.33 3coo s PRO 137 Ca -0.05 2.20 -0.30 0.00 0.04 0.00 0.00 61.00 62.88 3coo s PRO 137 Cb -0.02 -3.23 0.16 0.00 0.04 0.00 0.00 34.50 31.46 3coo s PRO 137 CO 0.05 -0.52 1.22 -0.98 0.04 0.00 0.00 177.00 176.81 3coo s ARG 138 N 1.20 0.27 0.07 4.56 1.70 -1.14 -5.07 118.95 120.54 3coo s ARG 138 Ca 0.67 0.03 -0.31 0.00 -0.47 0.00 0.00 55.73 55.65 3coo s ARG 138 Cb -0.40 0.13 -0.07 0.00 -0.57 0.00 0.00 34.95 34.04 3coo s ARG 138 CO 0.31 -0.09 1.31 1.03 -1.08 0.00 0.00 175.30 176.77 3coo s ARG 139 N -1.29 4.36 0.06 3.89 0.52 -1.26 -4.20 118.95 121.02 3coo s ARG 139 Ca 0.06 1.93 0.00 0.00 -0.52 0.00 0.00 55.73 57.20 3coo s ARG 139 Cb -0.01 -3.34 -0.03 0.00 0.52 0.00 0.00 34.95 32.09 3coo s ARG 139 CO -0.04 -0.38 -0.05 1.03 0.02 0.00 0.00 175.30 175.88 3coo s ARG 140 N 1.28 0.60 -0.00 3.54 0.52 0.09 -4.98 118.95 120.01 3coo s ARG 140 Ca 0.62 -1.06 0.00 0.00 -0.52 0.00 0.00 55.73 54.77 3coo s ARG 140 Cb -0.33 -0.01 -0.00 0.00 0.52 0.00 0.00 34.95 35.13 3coo s ARG 140 CO 0.29 -0.05 0.01 2.41 0.02 0.00 0.00 175.30 177.98 3coo n THR 141 N 0.56 0.00 -3.63 0.02 -1.04 -1.26 -1.21 114.28 107.73 3coo n THR 141 Ca -0.17 -0.25 -0.14 0.00 -2.04 0.00 0.00 64.05 61.46 3coo n THR 141 Cb 0.59 0.74 -0.07 0.00 -1.82 0.00 0.00 70.33 69.77 3coo n THR 141 CO 0.00 0.00 0.00 -0.60 -0.64 0.00 0.00 175.07 173.83 3coo s ARG 142 N -1.53 0.82 0.22 -2.82 3.52 -1.26 -1.17 118.95 116.74 3coo s ARG 142 Ca -0.00 0.97 0.07 0.00 -0.13 0.00 0.00 55.73 56.64 3coo s ARG 142 Cb 0.00 0.40 -0.05 0.00 -1.56 0.00 0.00 34.95 33.74 3coo s ARG 142 CO 0.01 -0.10 -0.11 0.96 -0.81 0.00 0.00 175.30 175.25 3coo s ILE 143 N 0.36 1.63 0.03 4.11 -5.25 -0.29 -4.99 121.20 116.80 3coo s ILE 143 Ca 0.00 -2.17 -0.03 0.00 -0.99 0.00 0.00 60.65 57.46 3coo s ILE 143 Cb -0.05 -2.16 -0.02 0.00 2.95 0.00 0.00 42.46 43.18 3coo s ILE 143 CO 0.01 -0.51 0.04 0.00 -1.79 0.00 0.00 174.94 172.69 3coo s GLN 144 N -3.69 0.47 0.09 0.37 -2.07 -1.26 -1.45 119.66 112.12 3coo s GLN 144 Ca 0.24 -0.69 -0.07 0.00 -1.82 0.00 0.00 55.36 53.03 3coo s GLN 144 Cb 0.01 0.18 -0.01 0.00 -1.09 0.00 0.00 33.01 32.10 3coo s GLN 144 CO 0.08 -0.10 0.14 0.08 -1.32 0.00 0.00 175.29 174.17 3coo s VAL 145 N -2.11 0.16 0.19 3.63 1.01 -0.39 -4.39 120.40 118.49 3coo s VAL 145 Ca -0.09 -1.36 -0.15 0.00 0.00 0.00 0.00 61.98 60.37 3coo s VAL 145 Cb -0.05 -1.43 -0.07 0.00 0.00 0.00 0.00 36.38 34.83 3coo s VAL 145 CO -0.03 -0.71 0.61 -0.36 0.00 0.00 0.00 175.10 174.61 3coo s PHE 146 N -3.89 3.58 -0.15 5.22 0.08 -0.37 -0.32 117.98 122.14 3coo s PHE 146 Ca 0.07 1.14 0.00 0.00 0.12 0.00 0.00 56.93 58.26 3coo s PHE 146 Cb 0.06 -2.44 0.02 0.00 -0.57 0.00 0.00 43.02 40.10 3coo s PHE 146 CO -0.10 0.37 -0.13 -0.46 -0.10 0.00 0.00 175.22 174.80 3coo s TRP 147 N -1.55 2.12 -0.37 0.36 -0.00 0.07 -0.70 118.94 118.88 3coo s TRP 147 Ca 0.41 -1.21 -0.21 0.00 -0.00 0.00 0.00 56.10 55.09 3coo s TRP 147 Cb -0.15 -1.56 0.01 0.00 -0.00 0.00 0.00 33.47 31.77 3coo s TRP 147 CO 0.20 -0.66 0.66 0.42 -0.00 0.00 0.00 176.95 177.57 3coo s ILE 148 N 1.50 4.86 0.45 5.86 1.01 0.15 -1.20 121.20 133.83 3coo s ILE 148 Ca 0.04 0.58 -0.24 0.00 0.00 0.00 0.00 60.65 61.03 3coo s ILE 148 Cb -0.13 -4.11 -0.09 0.00 0.01 0.00 0.00 42.46 38.14 3coo s ILE 148 CO -0.10 -0.37 1.22 0.00 0.00 0.00 0.00 174.94 175.69 3coo n ALA 149 N 6.13 1.09 -1.56 9.38 0.00 -0.51 -1.88 120.51 133.17 3coo n ALA 149 Ca -0.01 0.22 -0.29 0.00 0.00 0.00 0.00 53.44 53.36 3coo n ALA 149 Cb 0.48 -2.24 0.16 0.00 0.00 0.00 0.00 19.45 17.86 3coo n ALA 149 CO 0.00 0.00 0.00 -1.25 0.00 0.00 0.00 177.50 176.25 3coo s PRO 150 N -2.32 0.64 0.75 0.00 0.04 -1.26 -1.37 135.00 131.47 3coo s PRO 150 Ca 0.64 0.06 -0.14 0.00 0.04 0.00 0.00 61.00 61.60 3coo s PRO 150 Cb -0.49 -1.80 0.05 0.00 0.04 0.00 0.00 34.50 32.29 3coo s PRO 150 CO 0.56 -2.49 1.16 -2.14 0.04 0.00 0.00 177.00 174.12 3coo s PRO 151 N -5.45 2.14 0.37 0.56 0.02 -1.26 -3.61 135.00 127.77 3coo s PRO 151 Ca 0.67 1.57 -0.27 0.00 0.02 0.00 0.00 61.00 62.99 3coo s PRO 151 Cb -0.11 -1.85 -0.11 0.00 0.02 0.00 0.00 34.50 32.44 3coo s PRO 151 CO 0.53 -1.79 1.23 0.00 -0.33 0.00 0.00 177.00 176.65 3coo n ALA 152 N -2.97 1.07 -0.05 -1.55 0.00 -1.26 -2.35 120.51 113.42 3coo n ALA 152 Ca 0.12 0.32 0.00 0.00 0.00 0.00 0.00 53.44 53.88 3coo n ALA 152 Cb 0.51 -2.22 0.00 0.00 0.00 0.00 0.00 19.45 17.74 3coo n ALA 152 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3coo n GLY 153 N 0.86 0.55 0.20 0.00 0.00 -1.26 -4.96 105.19 100.57 3coo n GLY 153 Ca 0.06 0.00 -0.02 0.00 0.00 0.00 0.00 46.02 46.06 3coo n GLY 153 CO 0.00 0.00 0.00 -0.84 0.00 0.00 0.00 173.32 172.48 3coo h THR 154 N 0.00 1.32 0.00 2.61 2.02 -1.82 -3.50 112.91 113.54 3coo h THR 154 Ca 0.00 -1.56 0.00 0.00 0.77 0.00 0.00 66.41 65.62 3coo h THR 154 Cb 0.00 1.70 0.00 0.00 -1.74 0.00 0.00 68.15 68.11 3coo h THR 154 CO 0.00 0.46 0.00 0.61 0.37 0.00 0.00 175.52 176.96 3coo n GLY 155 N -0.15 -2.00 3.77 2.16 0.00 -1.26 -4.91 105.19 102.80 3coo n GLY 155 Ca -0.02 -1.51 -0.40 0.00 0.00 0.00 0.00 46.02 44.10 3coo n GLY 155 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3coo s VAL 157 N -1.19 2.64 -0.18 0.00 1.01 -0.33 -1.06 120.40 121.29 3coo s VAL 157 Ca 0.51 -0.88 -0.02 0.00 0.00 0.00 0.00 61.98 61.59 3coo s VAL 157 Cb -0.38 -1.99 -0.01 0.00 0.00 0.00 0.00 36.38 34.00 3coo s VAL 157 CO 0.50 0.59 -0.09 -0.63 0.00 0.00 0.00 175.10 175.46 3coo s ILE 158 N -0.67 3.09 -0.13 2.22 -1.09 0.11 -1.08 121.20 123.65 3coo s ILE 158 Ca 0.11 -0.61 -0.14 0.00 -2.23 0.00 0.00 60.65 57.77 3coo s ILE 158 Cb -0.10 -2.35 -0.05 0.00 -1.58 0.00 0.00 42.46 38.37 3coo s ILE 158 CO -0.00 0.48 0.34 -0.76 -1.23 0.00 0.00 174.94 173.76 3coo s LEU 159 N 1.05 4.29 -0.03 2.97 1.02 0.77 -0.72 118.68 128.03 3coo s LEU 159 Ca -0.00 0.63 0.01 0.00 0.02 0.00 0.00 54.13 54.79 3coo s LEU 159 Cb -0.15 -2.45 0.02 0.00 0.02 0.00 0.00 46.19 43.63 3coo s LEU 159 CO -0.02 0.13 -0.01 -0.54 0.02 0.00 0.00 176.35 175.93 3coo s LYS 160 N 0.21 0.37 0.04 1.70 1.02 -0.26 -0.98 119.74 121.84 3coo s LYS 160 Ca 0.19 0.02 0.09 0.00 0.02 0.00 0.00 55.97 56.29 3coo s LYS 160 Cb -0.14 -0.49 -0.03 0.00 -0.52 0.00 0.00 37.83 36.65 3coo s LYS 160 CO 0.06 -0.09 -0.25 0.00 -0.92 0.00 0.00 175.35 174.15 3coo s ALA 161 N 0.81 2.14 0.24 5.17 0.00 -0.54 -1.30 121.76 128.28 3coo s ALA 161 Ca -0.08 -1.22 0.11 0.00 0.00 0.00 0.00 51.96 50.77 3coo s ALA 161 Cb -0.12 -0.45 -0.05 0.00 0.00 0.00 0.00 23.12 22.51 3coo s ALA 161 CO -0.01 0.50 -0.15 -1.54 0.00 0.00 0.00 175.76 174.56 3coo s SER 162 N -1.20 3.84 -0.01 0.00 1.04 -0.02 -4.66 113.70 112.70 3coo s SER 162 Ca 0.11 -0.85 0.01 0.00 0.48 0.00 0.00 55.95 55.69 3coo s SER 162 Cb -0.10 -0.46 0.01 0.00 0.10 0.00 0.00 66.02 65.57 3coo s SER 162 CO 0.02 0.06 -0.02 -0.63 0.98 0.00 0.00 173.24 173.65 3coo s ILE 163 N -2.17 0.24 -0.09 -1.02 -1.09 -0.61 -1.38 121.20 115.07 3coo s ILE 163 Ca 0.28 -0.07 0.02 0.00 -2.23 0.00 0.00 60.65 58.65 3coo s ILE 163 Cb -0.06 -0.25 0.01 0.00 -1.58 0.00 0.00 42.46 40.58 3coo s ILE 163 CO 0.15 0.10 -0.15 0.54 -1.23 0.00 0.00 174.94 174.35 3coo s VAL 164 N 0.29 1.41 -0.27 2.92 0.11 -0.47 -0.44 120.40 123.96 3coo s VAL 164 Ca -0.03 -0.61 -0.06 0.00 -2.93 0.00 0.00 61.98 58.35 3coo s VAL 164 Cb -0.06 -1.28 -0.15 0.00 -1.53 0.00 0.00 36.38 33.36 3coo s VAL 164 CO -0.01 0.42 -0.28 1.67 -3.33 0.00 0.00 175.10 173.58 3coo n GLN 165 N 4.02 0.62 0.00 1.54 7.27 -1.25 -0.44 117.38 129.15 3coo n GLN 165 Ca -0.20 0.21 0.00 0.00 0.07 0.00 0.00 57.00 57.08 3coo n GLN 165 Cb 0.52 -1.51 0.00 0.00 2.41 0.00 0.00 30.24 31.65 3coo n GLN 165 CO 0.00 0.00 0.00 1.63 0.07 0.00 0.00 177.06 178.76 3coo n LYS 166 N -3.75 0.00 -0.02 3.69 5.02 -1.26 -4.18 118.16 117.66 3coo n LYS 166 Ca -0.50 0.00 -0.03 0.00 -2.02 0.00 0.00 58.31 55.76 3coo n LYS 166 Cb 0.94 0.00 -0.01 0.00 -0.02 0.00 0.00 35.03 35.94 3coo n LYS 166 CO 0.00 0.00 0.00 0.54 -0.52 0.00 0.00 177.40 177.42 3coo n ARG 167 N -1.66 0.08 -2.20 1.97 1.74 -1.26 -5.04 116.66 110.29 3coo n ARG 167 Ca 0.00 0.03 -0.42 0.00 -0.77 0.00 0.00 57.85 56.69 3coo n ARG 167 Cb 0.00 -0.78 -0.03 0.00 -1.02 0.00 0.00 32.46 30.63 3coo n ARG 167 CO 0.00 0.00 0.00 0.42 -1.52 0.00 0.00 177.63 176.53 3coo s ILE 168 N -2.07 3.33 -0.27 0.55 1.01 -1.26 -5.01 121.20 117.48 3coo s ILE 168 Ca -0.05 0.99 -0.08 0.00 0.00 0.00 0.00 60.65 61.51 3coo s ILE 168 Cb 0.02 -3.63 -0.02 0.00 0.01 0.00 0.00 42.46 38.83 3coo s ILE 168 CO 0.07 0.10 0.10 -0.63 0.00 0.00 0.00 174.94 174.57 3coo s ILE 169 N 0.81 4.41 -0.11 2.92 1.01 -1.26 -3.78 121.20 125.19 3coo s ILE 169 Ca 0.62 -0.25 -0.09 0.00 0.00 0.00 0.00 60.65 60.93 3coo s ILE 169 Cb -0.36 -3.12 -0.04 0.00 0.01 0.00 0.00 42.46 38.94 3coo s ILE 169 CO 0.32 0.25 0.19 -0.31 0.00 0.00 0.00 174.94 175.40 3coo s TYR 170 N 1.61 3.59 0.23 3.97 2.02 0.41 0.14 117.35 129.33 3coo s TYR 170 Ca 0.06 0.58 -0.09 0.00 -0.37 0.00 0.00 57.07 57.25 3coo s TYR 170 Cb -0.16 -2.05 -0.01 0.00 -0.40 0.00 0.00 41.96 39.34 3coo s TYR 170 CO 0.05 0.64 0.38 -0.59 -1.57 0.00 0.00 175.55 174.45 3coo s PHE 171 N -0.77 0.59 0.27 2.71 -0.71 -0.99 -1.58 117.98 117.51 3coo s PHE 171 Ca 0.16 -0.91 -0.21 0.00 -1.04 0.00 0.00 56.93 54.93 3coo s PHE 171 Cb -0.13 -0.02 0.03 0.00 -1.21 0.00 0.00 43.02 41.69 3coo s PHE 171 CO 0.05 -0.89 0.78 1.14 -1.34 0.00 0.00 175.22 174.96 3coo s GLN 172 N -4.06 1.73 -0.00 1.99 -2.07 -1.26 -0.98 119.66 115.02 3coo s GLN 172 Ca 0.27 -0.99 0.22 0.00 -1.82 0.00 0.00 55.36 53.04 3coo s GLN 172 Cb 0.02 0.57 -0.28 0.00 -1.09 0.00 0.00 33.01 32.23 3coo s GLN 172 CO 0.10 -0.80 0.55 -0.25 -1.32 0.00 0.00 175.29 173.57 3coo n ASP 173 N -0.62 0.15 -3.75 12.60 8.00 -1.26 -4.96 116.55 126.71 3coo n ASP 173 Ca -0.05 0.06 -0.13 0.00 0.71 0.00 0.00 54.79 55.38 3coo n ASP 173 Cb 0.59 1.66 -0.08 0.00 -0.02 0.00 0.00 41.12 43.27 3coo n ASP 173 CO 0.00 0.00 0.00 -1.61 -0.39 0.00 0.00 177.20 175.20 3coo s GLU 174 N -3.43 0.69 0.00 -1.24 2.02 -1.26 -4.96 118.70 110.52 3coo s GLU 174 Ca -0.07 -0.20 0.00 0.00 0.02 0.00 0.00 54.97 54.73 3coo s GLU 174 Cb 0.13 0.31 0.00 0.00 0.10 0.00 0.00 34.13 34.66 3coo s GLU 174 CO 0.88 -0.19 0.00 0.41 0.02 0.00 0.00 175.26 176.38 3coo n GLY 175 N 1.22 0.59 0.08 -1.39 0.00 -1.26 -0.84 105.19 103.60 3coo n GLY 175 Ca -0.21 -1.99 0.12 0.00 0.00 0.00 0.00 46.02 43.94 3coo n GLY 175 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 3coo n SER 176 N 0.00 0.57 -1.25 1.61 3.41 -0.35 -2.39 113.62 115.22 3coo n SER 176 Ca 0.00 0.58 0.08 0.00 -0.26 0.00 0.00 58.87 59.26 3coo n SER 176 Cb 0.00 -0.72 0.27 0.00 -0.26 0.00 0.00 64.21 63.50 3coo n SER 176 CO 0.00 0.00 0.00 0.18 -0.16 0.00 0.00 175.04 175.06 3coo n LEU 177 N -2.06 3.67 -3.95 1.04 4.77 -1.26 0.38 117.00 119.60 3coo n LEU 177 Ca 0.05 -1.85 -0.22 0.00 -0.03 0.00 0.00 56.01 53.96 3coo n LEU 177 Cb 0.34 -0.48 -0.16 0.00 -2.33 0.00 0.00 43.42 40.78 3coo n LEU 177 CO 0.26 0.67 -0.43 -0.89 -1.33 0.00 0.00 177.39 175.67 3coo s THR 178 N -1.68 0.76 -0.07 -5.08 2.01 -1.00 -1.47 115.64 109.11 3coo s THR 178 Ca 0.39 -0.26 -0.02 0.00 0.31 0.00 0.00 61.69 62.11 3coo s THR 178 Cb 0.25 -0.74 0.03 0.00 0.01 0.00 0.00 72.50 72.05 3coo s THR 178 CO 0.20 0.27 0.04 -0.75 -0.69 0.00 0.00 174.62 173.70 3coo s LYS 179 N 0.79 0.20 -0.14 4.92 2.47 -0.15 -4.70 119.74 123.12 3coo s LYS 179 Ca -0.13 0.19 -0.11 0.00 -1.56 0.00 0.00 55.97 54.37 3coo s LYS 179 Cb -0.15 -0.90 -0.05 0.00 -1.46 0.00 0.00 37.83 35.27 3coo s LYS 179 CO 0.02 -0.38 0.22 0.21 0.16 0.00 0.00 175.35 175.58 3coo s LYS 180 N 2.09 3.99 -0.05 4.03 2.20 -1.26 -0.16 119.74 130.58 3coo s LYS 180 Ca 0.04 -0.02 0.02 0.00 -0.36 0.00 0.00 55.97 55.65 3coo s LYS 180 Cb -0.13 -3.34 0.01 0.00 -1.51 0.00 0.00 37.83 32.86 3coo s LYS 180 CO -0.05 0.44 -0.09 -0.51 -0.36 0.00 0.00 175.35 174.79 3coo s LEU 181 N -0.11 1.56 0.39 5.43 1.43 -0.24 -5.00 118.68 122.14 3coo s LEU 181 Ca 0.14 -0.21 0.08 0.00 -1.03 0.00 0.00 54.13 53.11 3coo s LEU 181 Cb -0.13 -0.62 -0.04 0.00 0.03 0.00 0.00 46.19 45.43 3coo s LEU 181 CO 0.03 0.01 0.21 0.00 0.23 0.00 0.00 176.35 176.83 3coo s GLU 183 N -3.94 2.45 0.14 0.00 2.02 -1.26 -0.91 118.70 117.20 3coo s GLU 183 Ca 0.42 1.27 -0.32 0.00 0.02 0.00 0.00 54.97 56.36 3coo s GLU 183 Cb 0.01 -1.91 -0.12 0.00 0.10 0.00 0.00 34.13 32.20 3coo s GLU 183 CO 0.24 -1.51 1.75 0.94 0.02 0.00 0.00 175.26 176.70 3coo n GLN 184 N -3.08 2.58 0.00 1.61 7.27 -1.26 -4.85 117.38 119.65 3coo n GLN 184 Ca 0.10 0.94 0.00 0.00 0.07 0.00 0.00 57.00 58.10 3coo n GLN 184 Cb 0.53 -2.79 0.00 0.00 2.41 0.00 0.00 30.24 30.39 3coo n GLN 184 CO 0.00 0.00 0.00 -0.25 0.07 0.00 0.00 177.06 176.88