#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3ci0 h LYS 40 N 0.00 0.74 -0.38 3.69 3.64 -2.05 -0.79 116.57 121.42 3ci0 h LYS 40 Ca 0.00 -0.04 -0.07 0.00 -1.27 0.00 0.00 60.65 59.26 3ci0 h LYS 40 Cb 0.00 -0.17 -0.01 0.00 -0.41 0.00 0.00 32.23 31.64 3ci0 h LYS 40 CO 0.00 0.49 -0.04 1.25 -2.27 0.00 0.00 179.45 178.87 3ci0 h LEU 41 N 0.76 0.70 -0.32 5.20 5.85 -2.05 -3.24 115.31 122.21 3ci0 h LEU 41 Ca 0.41 -0.34 0.00 0.00 0.84 0.00 0.00 57.88 58.80 3ci0 h LEU 41 Cb 0.42 -0.19 -0.02 0.00 0.37 0.00 0.00 40.66 41.25 3ci0 h LEU 41 CO -0.27 0.87 0.21 0.78 -0.34 0.00 0.00 178.44 179.69 3ci0 h ASN 42 N 0.52 0.38 0.00 1.25 2.35 -2.01 0.98 115.58 119.04 3ci0 h ASN 42 Ca 0.10 -0.02 0.00 0.00 -0.55 0.00 0.00 56.30 55.83 3ci0 h ASN 42 Cb 0.54 -0.09 0.00 0.00 0.05 0.00 0.00 38.32 38.81 3ci0 h ASN 42 CO 0.03 0.29 0.00 -0.11 -1.65 0.00 0.00 177.43 175.99 3ci0 n LEU 43 N -4.85 0.15 0.00 1.61 7.94 -0.32 -0.46 117.00 121.07 3ci0 n LEU 43 Ca -0.01 -0.08 0.00 0.00 -1.11 0.00 0.00 56.01 54.81 3ci0 n LEU 43 Cb 0.03 -0.04 0.00 0.00 0.53 0.00 0.00 43.42 43.94 3ci0 n LEU 43 CO 0.34 0.03 0.00 0.00 -1.11 0.00 0.00 177.39 176.65 3ci0 n GLN 45 N 0.67 0.00 -0.24 1.96 6.02 0.34 -1.34 117.38 124.79 3ci0 n GLN 45 Ca 0.00 0.00 -0.01 0.00 -0.01 0.00 0.00 57.00 56.98 3ci0 n GLN 45 Cb 0.03 0.00 0.06 0.00 1.02 0.00 0.00 30.24 31.35 3ci0 n GLN 45 CO 0.00 0.00 0.00 1.96 -1.01 0.00 0.00 177.06 178.01 3ci0 h GLN 46 N 0.00 -0.05 0.00 -1.09 4.20 -1.01 0.21 115.11 117.36 3ci0 h GLN 46 Ca 0.00 0.00 0.00 0.00 0.06 0.00 0.00 58.65 58.71 3ci0 h GLN 46 Cb 0.00 0.01 0.00 0.00 0.30 0.00 0.00 27.48 27.79 3ci0 h GLN 46 CO 0.00 -0.03 0.00 2.41 -0.67 0.00 0.00 178.83 180.54 3ci0 n THR 47 N -5.47 0.00 0.00 -0.54 -1.04 -0.45 -1.39 114.28 105.39 3ci0 n THR 47 Ca 0.08 0.00 0.00 0.00 -2.04 0.00 0.00 64.05 62.09 3ci0 n THR 47 Cb 0.37 -0.11 0.00 0.00 -1.82 0.00 0.00 70.33 68.77 3ci0 n THR 47 CO 0.00 0.00 0.00 -0.24 -0.64 0.00 0.00 175.07 174.19 3ci0 n SER 49 N 0.28 0.00 -0.03 8.00 2.88 0.06 -1.59 113.62 123.22 3ci0 n SER 49 Ca 0.00 0.00 -0.10 0.00 -1.33 0.00 0.00 58.87 57.44 3ci0 n SER 49 Cb 0.00 0.00 -0.04 0.00 -0.75 0.00 0.00 64.21 63.42 3ci0 n SER 49 CO 0.00 0.00 0.00 -0.26 -1.23 0.00 0.00 175.04 173.55 3ci0 h PHE 50 N 0.00 0.21 -0.32 0.66 0.04 -1.49 -1.06 116.94 114.99 3ci0 h PHE 50 Ca 0.00 0.01 0.00 0.00 2.80 0.00 0.00 57.97 60.78 3ci0 h PHE 50 Cb 0.00 -0.07 -0.02 0.00 2.20 0.00 0.00 35.95 38.06 3ci0 h PHE 50 CO 0.00 0.13 0.20 -0.07 -0.60 0.00 0.00 178.31 177.98 3ci0 h LEU 51 N 0.23 0.37 -0.13 1.54 3.38 -1.56 -1.51 115.31 117.63 3ci0 h LEU 51 Ca 0.07 -0.02 -0.01 0.00 0.09 0.00 0.00 57.88 58.00 3ci0 h LEU 51 Cb -0.02 -0.09 -0.01 0.00 0.09 0.00 0.00 40.66 40.63 3ci0 h LEU 51 CO -0.02 0.27 0.03 0.74 0.09 0.00 0.00 178.44 179.55 3ci0 h THR 52 N 0.42 1.21 -0.64 0.22 2.02 -1.76 -0.78 112.91 113.61 3ci0 h THR 52 Ca 0.11 -0.66 0.05 0.00 0.77 0.00 0.00 66.41 66.68 3ci0 h THR 52 Cb -0.04 1.40 -0.04 0.00 -1.74 0.00 0.00 68.15 67.74 3ci0 h THR 52 CO -0.02 0.19 0.42 0.45 0.37 0.00 0.00 175.52 176.93 3ci0 h HIS 53 N -0.00 0.68 0.03 3.16 3.86 -1.13 -2.65 115.15 119.09 3ci0 h HIS 53 Ca 0.04 0.02 -0.00 0.00 -1.16 0.00 0.00 60.37 59.27 3ci0 h HIS 53 Cb 0.28 -0.22 0.00 0.00 1.06 0.00 0.00 27.41 28.52 3ci0 h HIS 53 CO 0.01 0.38 -0.02 -0.44 0.86 0.00 0.00 177.93 178.72 3ci0 h ASP 54 N 0.69 -0.04 -0.32 2.45 3.32 -0.98 -3.37 116.42 118.17 3ci0 h ASP 54 Ca 0.27 -0.59 -0.08 0.00 0.02 0.00 0.00 57.03 56.65 3ci0 h ASP 54 Cb 0.19 0.01 -0.02 0.00 0.22 0.00 0.00 39.33 39.73 3ci0 h ASP 54 CO -0.08 0.72 -0.07 -0.07 -1.72 0.00 0.00 179.24 178.02 3ci0 h LEU 55 N -0.95 0.70 0.00 1.55 3.38 -1.18 -3.00 115.31 115.81 3ci0 h LEU 55 Ca -0.00 -0.18 0.00 0.00 0.09 0.00 0.00 57.88 57.78 3ci0 h LEU 55 Cb 0.62 -0.19 0.00 0.00 0.09 0.00 0.00 40.66 41.19 3ci0 h LEU 55 CO 0.01 0.81 0.00 0.35 0.09 0.00 0.00 178.44 179.70 3ci0 n THR 56 N -4.19 0.02 -3.94 0.22 -2.24 -1.00 -4.61 114.28 98.55 3ci0 n THR 56 Ca 0.02 0.01 -0.30 0.00 -2.27 0.00 0.00 64.05 61.51 3ci0 n THR 56 Cb 0.33 -0.53 -0.16 0.00 -2.10 0.00 0.00 70.33 67.86 3ci0 n THR 56 CO 0.00 0.00 0.00 -1.10 -0.57 0.00 0.00 175.07 173.40 3ci0 s GLN 57 N -2.22 1.68 -0.51 -0.78 -0.21 -1.14 -4.60 119.66 111.88 3ci0 s GLN 57 Ca 0.38 -0.75 0.08 0.00 0.02 0.00 0.00 55.36 55.09 3ci0 s GLN 57 Cb 0.20 -2.31 0.30 0.00 1.00 0.00 0.00 33.01 32.21 3ci0 s GLN 57 CO 0.38 -0.48 0.76 -0.35 -2.12 0.00 0.00 175.29 173.49 3ci0 n PRO 60 N 4.76 2.02 -3.94 2.91 -0.04 -1.26 -1.40 135.00 138.05 3ci0 n PRO 60 Ca -0.13 -4.13 -0.30 0.00 -0.04 0.00 0.00 63.50 58.89 3ci0 n PRO 60 Cb 0.46 -1.91 -0.15 0.00 -0.04 0.00 0.00 33.50 31.86 3ci0 n PRO 60 CO 0.00 0.00 0.00 0.50 -0.04 0.00 0.00 175.50 175.96 3ci0 s ARG 61 N -2.53 1.56 0.85 0.54 3.52 -1.26 -4.89 118.95 116.74 3ci0 s ARG 61 Ca 0.42 -1.09 -0.12 0.00 -0.13 0.00 0.00 55.73 54.81 3ci0 s ARG 61 Cb 0.24 -2.61 0.11 0.00 -1.56 0.00 0.00 34.95 31.13 3ci0 s ARG 61 CO -0.09 -0.66 1.19 -2.14 -0.81 0.00 0.00 175.30 172.79 3ci0 s PRO 62 N 1.36 1.37 0.21 5.12 0.02 -1.26 -4.18 135.00 137.64 3ci0 s PRO 62 Ca -0.03 1.69 0.03 0.00 0.02 0.00 0.00 61.00 62.71 3ci0 s PRO 62 Cb -0.19 -1.75 -0.05 0.00 0.02 0.00 0.00 34.50 32.53 3ci0 s PRO 62 CO -0.08 -2.40 -0.01 0.14 -0.33 0.00 0.00 177.00 174.32 3ci0 s VAL 63 N -2.32 0.97 -0.15 3.83 -7.23 -0.67 -4.86 120.40 109.97 3ci0 s VAL 63 Ca 0.71 -2.03 -0.06 0.00 -1.81 0.00 0.00 61.98 58.80 3ci0 s VAL 63 Cb -0.27 -2.24 -0.04 0.00 0.56 0.00 0.00 36.38 34.39 3ci0 s VAL 63 CO 0.53 -0.40 0.05 -0.13 -0.31 0.00 0.00 175.10 174.85 3ci0 s ARG 64 N -3.86 3.63 0.00 4.82 0.52 -1.26 -0.60 118.95 122.20 3ci0 s ARG 64 Ca 0.26 -0.34 0.00 0.00 -0.52 0.00 0.00 55.73 55.14 3ci0 s ARG 64 Cb 0.05 -3.09 0.00 0.00 0.52 0.00 0.00 34.95 32.43 3ci0 s ARG 64 CO 0.07 0.46 0.00 0.41 0.02 0.00 0.00 175.30 176.26 3ci0 n GLY 65 N 2.95 -0.76 0.35 -3.53 0.00 0.34 -4.30 105.19 100.24 3ci0 n GLY 65 Ca -0.18 -1.71 0.18 0.00 0.00 0.00 0.00 46.02 44.32 3ci0 n GLY 65 CO 0.00 0.00 0.00 1.29 0.00 0.00 0.00 173.32 174.61 3ci0 h ASP 66 N 0.00 0.00 -0.14 1.61 2.03 -1.89 0.15 116.42 118.19 3ci0 h ASP 66 Ca 0.00 0.00 0.00 0.00 -0.73 0.00 0.00 57.03 56.30 3ci0 h ASP 66 Cb 0.00 0.00 0.00 0.00 -0.83 0.00 0.00 39.33 38.50 3ci0 h ASP 66 CO 0.00 0.00 0.00 0.00 -1.03 0.00 0.00 179.24 178.21 3ci0 n GLN 67 N -3.60 2.54 -0.30 4.15 6.02 -1.26 -1.96 117.38 122.98 3ci0 n GLN 67 Ca 0.02 -1.63 0.00 0.00 -0.01 0.00 0.00 57.00 55.39 3ci0 n GLN 67 Cb 0.39 -1.12 0.00 0.00 1.02 0.00 0.00 30.24 30.54 3ci0 n GLN 67 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 177.06 176.46 3ci0 n GLY 68 N -0.01 0.66 3.77 1.08 0.00 0.52 -5.07 105.19 106.14 3ci0 n GLY 68 Ca 0.05 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.66 3ci0 n GLY 68 CO 0.00 0.00 0.00 -0.86 0.00 0.00 0.00 173.32 172.46 3ci0 s GLN 69 N -0.70 4.29 0.26 1.61 0.00 -1.26 -4.49 119.66 119.37 3ci0 s GLN 69 Ca 0.00 2.31 -0.31 0.00 -0.00 0.00 0.00 55.36 57.36 3ci0 s GLN 69 Cb 0.00 -3.05 -0.12 0.00 0.00 0.00 0.00 33.01 29.84 3ci0 s GLN 69 CO 0.00 -0.30 1.65 1.03 0.00 0.00 0.00 175.29 177.67 3ci0 s ARG 70 N -1.70 4.12 0.04 9.60 1.81 -1.26 -0.50 118.95 131.06 3ci0 s ARG 70 Ca 0.51 2.59 0.00 0.00 -1.72 0.00 0.00 55.73 57.11 3ci0 s ARG 70 Cb -0.42 -3.04 -0.03 0.00 -0.45 0.00 0.00 34.95 31.01 3ci0 s ARG 70 CO 0.54 -0.68 -0.04 -1.21 -0.68 0.00 0.00 175.30 173.23 3ci0 s GLU 71 N 0.19 0.50 0.79 3.54 2.02 0.23 -4.87 118.70 121.10 3ci0 s GLU 71 Ca 0.68 -0.90 -0.12 0.00 0.02 0.00 0.00 54.97 54.66 3ci0 s GLU 71 Cb -0.49 0.02 0.07 0.00 0.10 0.00 0.00 34.13 33.84 3ci0 s GLU 71 CO 0.41 -0.04 1.13 -1.25 0.02 0.00 0.00 175.26 175.53 3ci0 s PRO 72 N -2.45 1.94 0.12 0.39 0.04 -1.26 -1.67 135.00 132.11 3ci0 s PRO 72 Ca -0.05 1.41 -0.23 0.00 0.04 0.00 0.00 61.00 62.18 3ci0 s PRO 72 Cb -0.03 -1.84 -0.06 0.00 0.04 0.00 0.00 34.50 32.61 3ci0 s PRO 72 CO -0.04 -1.92 1.69 0.00 0.04 0.00 0.00 177.00 176.77 3ci0 h ALA 73 N -1.04 -0.07 -3.23 8.56 0.00 -1.15 -3.38 119.26 118.94 3ci0 h ALA 73 Ca -0.45 0.03 -0.67 0.00 0.00 0.00 0.00 54.91 53.83 3ci0 h ALA 73 Cb 1.26 0.22 -0.32 0.00 0.00 0.00 0.00 17.79 18.94 3ci0 h ALA 73 CO 0.48 -0.58 -0.77 -1.17 0.00 0.00 0.00 179.25 177.21 3ci0 s LEU 74 N -10.35 2.95 -0.25 0.00 2.96 -1.26 -3.98 118.68 108.76 3ci0 s LEU 74 Ca -0.14 -0.80 -0.08 0.00 -0.22 0.00 0.00 54.13 52.89 3ci0 s LEU 74 Cb 0.09 -1.63 -0.03 0.00 0.50 0.00 0.00 46.19 45.12 3ci0 s LEU 74 CO 0.67 -0.09 0.08 -0.22 -1.32 0.00 0.00 176.35 175.47 3ci0 s LEU 75 N 1.32 3.50 -0.09 -0.68 2.96 -0.56 -4.88 118.68 120.25 3ci0 s LEU 75 Ca 0.01 -0.22 -0.10 0.00 -0.22 0.00 0.00 54.13 53.60 3ci0 s LEU 75 Cb -0.16 -1.93 0.02 0.00 0.50 0.00 0.00 46.19 44.62 3ci0 s LEU 75 CO -0.06 -0.04 0.27 0.00 -1.32 0.00 0.00 176.35 175.20 3ci0 s ALA 76 N 1.62 -0.68 0.00 5.97 0.00 -1.26 -0.42 121.76 126.98 3ci0 s ALA 76 Ca 0.06 0.66 0.00 0.00 0.00 0.00 0.00 51.96 52.69 3ci0 s ALA 76 Cb -0.15 -0.35 0.00 0.00 0.00 0.00 0.00 23.12 22.62 3ci0 s ALA 76 CO 0.04 -0.16 0.00 0.41 0.00 0.00 0.00 175.76 176.06 3ci0 n GLY 77 N 2.60 0.26 3.71 0.00 0.00 -0.40 -4.63 105.19 106.73 3ci0 n GLY 77 Ca -0.15 -1.81 -0.43 0.00 0.00 0.00 0.00 46.02 43.63 3ci0 n GLY 77 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3ci0 n ALA 78 N -0.79 2.28 -1.06 4.61 0.00 -1.26 -1.01 120.51 123.28 3ci0 n ALA 78 Ca 0.00 0.40 -0.02 0.00 0.00 0.00 0.00 53.44 53.82 3ci0 n ALA 78 Cb 0.00 -2.45 -0.01 0.00 0.00 0.00 0.00 19.45 17.00 3ci0 n ALA 78 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3ci0 n GLY 79 N 3.19 0.44 3.76 0.00 0.00 -0.18 -4.86 105.19 107.54 3ci0 n GLY 79 Ca 0.14 -0.12 -0.41 0.00 0.00 0.00 0.00 46.02 45.63 3ci0 n GLY 79 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 3ci0 s VAL 80 N -1.70 2.96 -1.54 1.61 1.01 -0.86 -2.36 120.40 119.51 3ci0 s VAL 80 Ca 0.00 0.94 -0.14 0.00 0.00 0.00 0.00 61.98 62.77 3ci0 s VAL 80 Cb 0.00 -3.60 0.10 0.00 0.00 0.00 0.00 36.38 32.88 3ci0 s VAL 80 CO 0.00 0.21 0.86 0.18 0.00 0.00 0.00 175.10 176.35 3ci0 n LEU 81 N 1.14 -2.20 -2.97 3.92 4.77 -1.26 -1.10 117.00 119.30 3ci0 n LEU 81 Ca 0.01 -0.76 -0.17 0.00 -0.03 0.00 0.00 56.01 55.06 3ci0 n LEU 81 Cb 0.43 -2.40 -0.01 0.00 -2.33 0.00 0.00 43.42 39.12 3ci0 n LEU 81 CO 0.58 0.37 -0.08 0.00 -1.33 0.00 0.00 177.39 176.93 3ci0 n ALA 82 N -4.41 -0.96 -1.76 -1.18 0.00 -1.00 -4.95 120.51 106.26 3ci0 n ALA 82 Ca 0.04 0.08 -0.39 0.00 0.00 0.00 0.00 53.44 53.17 3ci0 n ALA 82 Cb 0.52 -2.11 0.03 0.00 0.00 0.00 0.00 19.45 17.88 3ci0 n ALA 82 CO 0.00 0.00 0.00 0.45 0.00 0.00 0.00 177.50 177.95 3ci0 s SER 83 N -2.42 5.64 0.00 0.00 0.15 -0.26 -4.89 113.70 111.92 3ci0 s SER 83 Ca 0.23 2.83 0.21 0.00 0.70 0.00 0.00 55.95 59.92 3ci0 s SER 83 Cb -0.12 -2.64 0.98 0.00 -1.71 0.00 0.00 66.02 62.52 3ci0 s SER 83 CO 0.28 -1.33 1.66 -0.62 1.20 0.00 0.00 173.24 174.43 3ci0 n GLU 84 N -0.54 0.17 0.00 5.44 1.02 -0.05 -3.94 120.64 122.74 3ci0 n GLU 84 Ca 0.07 0.11 0.00 0.00 -0.02 0.00 0.00 57.16 57.33 3ci0 n GLU 84 Cb 0.43 -1.50 0.00 0.00 -0.02 0.00 0.00 31.44 30.35 3ci0 n GLU 84 CO 0.00 0.00 0.00 0.45 1.18 0.00 0.00 177.13 178.76 3ci0 n SER 85 N -1.38 0.00 -4.89 1.62 2.88 -1.26 -4.95 113.62 105.65 3ci0 n SER 85 Ca 0.08 0.00 -0.29 0.00 -1.33 0.00 0.00 58.87 57.32 3ci0 n SER 85 Cb 0.20 0.00 0.01 0.00 -0.75 0.00 0.00 64.21 63.67 3ci0 n SER 85 CO 0.00 0.00 0.00 -1.61 -1.23 0.00 0.00 175.04 172.20 3ci0 s GLU 86 N 4.62 3.51 0.00 -1.46 2.02 -0.86 -1.01 118.70 125.52 3ci0 s GLU 86 Ca 0.00 0.49 0.00 0.00 0.02 0.00 0.00 54.97 55.48 3ci0 s GLU 86 Cb 0.00 -2.20 0.00 0.00 0.10 0.00 0.00 34.13 32.03 3ci0 s GLU 86 CO 0.00 -0.46 0.00 0.41 0.02 0.00 0.00 175.26 175.23 3ci0 n GLY 87 N -2.57 4.47 0.00 -1.39 0.00 -0.18 -4.18 105.19 101.35 3ci0 n GLY 87 Ca 0.04 -1.52 0.00 0.00 0.00 0.00 0.00 46.02 44.54 3ci0 n GLY 87 CO 0.00 0.00 0.00 -2.13 0.00 0.00 0.00 173.32 171.19 3ci0 n ARG 89 N 0.00 0.00 -3.91 1.61 0.00 0.43 -1.28 116.66 113.51 3ci0 n ARG 89 Ca 0.00 0.00 -0.09 0.00 -0.00 0.00 0.00 57.85 57.76 3ci0 n ARG 89 Cb 0.00 0.00 -0.02 0.00 0.00 0.00 0.00 32.46 32.44 3ci0 n ARG 89 CO 0.00 0.00 0.00 -0.59 0.00 0.00 0.00 177.63 177.04 3ci0 s PHE 90 N 0.00 0.23 -0.08 -0.14 -0.71 -0.40 -1.50 117.98 115.38 3ci0 s PHE 90 Ca 0.00 -0.71 -0.04 0.00 -1.04 0.00 0.00 56.93 55.14 3ci0 s PHE 90 Cb 0.00 0.51 -0.04 0.00 -1.21 0.00 0.00 43.02 42.28 3ci0 s PHE 90 CO 0.00 -1.28 0.09 0.08 -1.34 0.00 0.00 175.22 172.77 3ci0 s VAL 91 N -3.27 5.03 0.05 -2.49 1.01 -1.26 -1.19 120.40 118.28 3ci0 s VAL 91 Ca 0.18 -0.05 0.00 0.00 0.00 0.00 0.00 61.98 62.12 3ci0 s VAL 91 Cb -0.04 -3.20 -0.03 0.00 0.00 0.00 0.00 36.38 33.11 3ci0 s VAL 91 CO 0.11 0.55 -0.05 0.00 0.00 0.00 0.00 175.10 175.72 3ci0 s ARG 92 N -1.16 0.53 0.00 2.72 1.70 -0.45 -4.86 118.95 117.43 3ci0 s ARG 92 Ca 0.17 -0.94 0.00 0.00 -0.47 0.00 0.00 55.73 54.49 3ci0 s ARG 92 Cb -0.12 0.01 0.00 0.00 -0.57 0.00 0.00 34.95 34.27 3ci0 s ARG 92 CO 0.06 -0.04 0.00 0.41 -1.08 0.00 0.00 175.30 174.65 3ci0 n GLY 93 N 0.86 2.59 1.84 3.88 0.00 -0.50 -0.71 105.19 113.15 3ci0 n GLY 93 Ca -0.19 -1.94 0.00 0.00 0.00 0.00 0.00 46.02 43.89 3ci0 n GLY 93 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3ci0 n GLY 94 N 5.00 0.80 3.69 -0.02 0.00 -1.20 -4.84 105.19 108.63 3ci0 n GLY 94 Ca 0.00 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.60 3ci0 n GLY 94 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 3ci0 s VAL 95 N -3.07 2.94 -0.27 1.61 1.01 -0.97 -4.97 120.40 116.67 3ci0 s VAL 95 Ca 0.00 0.42 -0.09 0.00 0.00 0.00 0.00 61.98 62.31 3ci0 s VAL 95 Cb 0.00 -3.27 -0.03 0.00 0.00 0.00 0.00 36.38 33.08 3ci0 s VAL 95 CO 0.00 0.00 0.12 0.54 0.00 0.00 0.00 175.10 175.76 3ci0 s VAL 96 N 2.58 4.66 -0.44 2.92 0.11 -1.26 -4.75 120.40 124.22 3ci0 s VAL 96 Ca 0.75 -0.11 0.07 0.00 -2.93 0.00 0.00 61.98 59.75 3ci0 s VAL 96 Cb -0.41 -3.23 0.24 0.00 -1.53 0.00 0.00 36.38 31.45 3ci0 s VAL 96 CO 0.33 0.26 0.68 -3.20 -3.33 0.00 0.00 175.10 169.85 3ci0 n ASN 97 N 4.97 -1.44 0.23 3.54 2.85 -1.26 -5.03 115.26 119.12 3ci0 n ASN 97 Ca -0.15 -2.96 0.16 0.00 -0.11 0.00 0.00 54.58 51.52 3ci0 n ASN 97 Cb 0.51 0.60 0.67 0.00 1.24 0.00 0.00 39.78 42.80 3ci0 n ASN 97 CO 0.00 0.00 0.00 1.55 -2.11 0.00 0.00 177.26 176.70 3ci0 h PRO 98 N 4.16 0.00 0.00 1.20 0.13 -2.04 -3.43 132.00 132.02 3ci0 h PRO 98 Ca -0.01 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.12 3ci0 h PRO 98 Cb 0.96 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.09 3ci0 h PRO 98 CO 0.37 0.00 0.00 1.28 -0.23 0.00 0.00 178.00 179.42 3ci0 n LEU 99 N -2.75 0.00 0.00 1.56 4.77 -1.26 -5.23 117.00 114.09 3ci0 n LEU 99 Ca 0.01 0.00 0.00 0.00 -0.03 0.00 0.00 56.01 55.99 3ci0 n LEU 99 Cb 0.24 0.00 0.00 0.00 -2.33 0.00 0.00 43.42 41.33 3ci0 n LEU 99 CO 0.23 0.00 0.00 -1.14 -1.33 0.00 0.00 177.39 175.15 3ci0 n ARG 101 N 0.00 0.00 -3.88 3.23 0.63 -1.26 -5.18 116.66 110.20 3ci0 n ARG 101 Ca 0.00 0.00 -0.31 0.00 -0.92 0.00 0.00 57.85 56.62 3ci0 n ARG 101 Cb 0.00 -0.00 -0.04 0.00 0.45 0.00 0.00 32.46 32.87 3ci0 n ARG 101 CO 0.00 0.00 0.00 -0.51 -2.51 0.00 0.00 177.63 174.61 3ci0 s LEU 102 N -2.81 4.34 -0.79 6.15 1.43 -1.26 -5.01 118.68 120.74 3ci0 s LEU 102 Ca 0.00 0.31 -0.26 0.00 -1.03 0.00 0.00 54.13 53.15 3ci0 s LEU 102 Cb 0.00 -3.01 -0.23 0.00 0.03 0.00 0.00 46.19 42.98 3ci0 s LEU 102 CO 0.00 0.14 1.92 -2.65 0.23 0.00 0.00 176.35 175.99 3ci0 n PRO 103 N 0.20 0.58 -3.87 1.29 -0.02 -1.26 -4.83 135.00 127.09 3ci0 n PRO 103 Ca -0.05 -1.71 -0.11 0.00 -2.02 0.00 0.00 63.50 59.61 3ci0 n PRO 103 Cb 0.51 -3.40 -0.12 0.00 -0.02 0.00 0.00 33.50 30.47 3ci0 n PRO 103 CO 0.00 0.00 0.00 1.03 1.98 0.00 0.00 175.50 178.51 3ci0 s ARG 104 N 7.25 0.25 0.87 -0.52 0.52 -1.26 -5.16 118.95 120.90 3ci0 s ARG 104 Ca 0.73 -0.14 -0.11 0.00 -0.52 0.00 0.00 55.73 55.69 3ci0 s ARG 104 Cb 0.04 0.11 0.16 0.00 0.52 0.00 0.00 34.95 35.77 3ci0 s ARG 104 CO 0.21 -0.05 1.21 -1.54 0.02 0.00 0.00 175.30 175.15 3ci0 s SER 105 N -0.60 3.65 -0.16 0.23 1.04 -1.26 -4.99 113.70 111.60 3ci0 s SER 105 Ca -0.07 0.16 0.11 0.00 0.48 0.00 0.00 55.95 56.63 3ci0 s SER 105 Cb -0.04 -0.36 0.61 0.00 0.10 0.00 0.00 66.02 66.32 3ci0 s SER 105 CO 0.00 -2.37 1.43 0.59 0.98 0.00 0.00 173.24 173.87 3ci0 n ASN 106 N -3.44 4.43 -4.59 7.02 3.02 -1.26 -4.93 115.26 115.51 3ci0 n ASN 106 Ca 0.14 -2.64 -0.30 0.00 -0.03 0.00 0.00 54.58 51.75 3ci0 n ASN 106 Cb 0.60 -0.62 -0.10 0.00 -0.61 0.00 0.00 39.78 39.05 3ci0 n ASN 106 CO 0.00 0.00 0.00 -0.76 -2.62 0.00 0.00 177.26 173.88 3ci0 s LEU 107 N -1.98 3.09 0.20 3.41 1.43 -1.26 -2.30 118.68 121.27 3ci0 s LEU 107 Ca 0.41 -0.34 0.05 0.00 -1.03 0.00 0.00 54.13 53.21 3ci0 s LEU 107 Cb 0.30 -1.87 -0.05 0.00 0.03 0.00 0.00 46.19 44.61 3ci0 s LEU 107 CO 0.13 0.19 -0.07 -0.76 0.23 0.00 0.00 176.35 176.07 3ci0 s LEU 108 N -2.13 2.40 -0.13 1.79 1.43 0.11 -4.29 118.68 117.87 3ci0 s LEU 108 Ca 0.21 -1.11 -0.03 0.00 -1.03 0.00 0.00 54.13 52.18 3ci0 s LEU 108 Cb -0.11 -0.38 -0.03 0.00 0.03 0.00 0.00 46.19 45.70 3ci0 s LEU 108 CO 0.13 -0.38 -0.04 -0.89 0.23 0.00 0.00 176.35 175.41 3ci0 s THR 109 N -3.29 3.94 0.14 5.49 2.01 -1.23 -1.34 115.64 121.36 3ci0 s THR 109 Ca 0.23 -0.36 0.02 0.00 0.31 0.00 0.00 61.69 61.89 3ci0 s THR 109 Cb 0.03 -2.69 -0.04 0.00 0.01 0.00 0.00 72.50 69.81 3ci0 s THR 109 CO 0.05 0.53 -0.03 0.68 -0.69 0.00 0.00 174.62 175.16 3ci0 s VAL 110 N -0.08 0.70 0.17 3.82 -7.23 -0.33 -0.91 120.40 116.54 3ci0 s VAL 110 Ca 0.02 -1.96 -0.19 0.00 -1.81 0.00 0.00 61.98 58.04 3ci0 s VAL 110 Cb -0.13 -1.91 0.04 0.00 0.56 0.00 0.00 36.38 34.94 3ci0 s VAL 110 CO 0.02 -0.66 0.52 -0.83 -0.31 0.00 0.00 175.10 173.85 3ci0 s GLY 111 N -3.11 -0.30 0.02 2.32 0.00 0.03 -1.28 107.32 104.99 3ci0 s GLY 111 Ca 0.18 0.04 0.03 0.00 0.00 0.00 0.00 44.72 44.97 3ci0 s GLY 111 CO -0.00 -0.13 -0.10 -0.19 0.00 0.00 0.00 173.10 172.68 3ci0 s TYR 112 N -3.82 0.86 0.22 1.90 1.51 -1.26 -0.51 117.35 116.25 3ci0 s TYR 112 Ca 0.05 -0.27 -0.15 0.00 -1.01 0.00 0.00 57.07 55.69 3ci0 s TYR 112 Cb -0.01 -0.53 0.01 0.00 -0.11 0.00 0.00 41.96 41.33 3ci0 s TYR 112 CO -0.08 -0.01 0.51 -0.98 -1.11 0.00 0.00 175.55 173.88 3ci0 s ARG 113 N -0.72 1.48 -0.16 -0.62 1.70 -0.96 -4.44 118.95 115.23 3ci0 s ARG 113 Ca 0.00 -1.06 -0.13 0.00 -0.47 0.00 0.00 55.73 54.07 3ci0 s ARG 113 Cb -0.06 0.50 -0.05 0.00 -0.57 0.00 0.00 34.95 34.78 3ci0 s ARG 113 CO 0.00 -0.63 0.26 0.42 -1.08 0.00 0.00 175.30 174.28 3ci0 s ILE 114 N -3.94 5.32 -0.14 4.99 -1.09 -1.26 -1.29 121.20 123.79 3ci0 s ILE 114 Ca 0.15 0.48 -0.07 0.00 -2.23 0.00 0.00 60.65 58.99 3ci0 s ILE 114 Cb -0.01 -3.60 0.06 0.00 -1.58 0.00 0.00 42.46 37.33 3ci0 s ILE 114 CO 0.03 0.42 0.32 -2.28 -1.23 0.00 0.00 174.94 172.21 3ci0 s HIS 115 N 0.30 -0.49 -1.38 3.97 2.46 -0.22 -0.88 115.29 119.05 3ci0 s HIS 115 Ca 0.15 1.07 -0.05 0.00 0.47 0.00 0.00 55.06 56.70 3ci0 s HIS 115 Cb -0.13 0.14 0.03 0.00 -0.13 0.00 0.00 32.58 32.49 3ci0 s HIS 115 CO 0.03 -0.32 0.38 -0.25 -2.47 0.00 0.00 174.74 172.12 3ci0 n ASP 116 N 4.52 -4.82 -0.14 9.88 8.00 -1.26 -1.54 116.55 131.19 3ci0 n ASP 116 Ca -0.20 -0.19 -0.02 0.00 0.71 0.00 0.00 54.79 55.09 3ci0 n ASP 116 Cb 0.53 -3.97 -0.01 0.00 -0.02 0.00 0.00 41.12 37.65 3ci0 n ASP 116 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 3ci0 n GLY 117 N -1.20 0.54 3.16 0.44 0.00 -1.26 -5.03 105.19 101.83 3ci0 n GLY 117 Ca -0.10 -0.58 -0.21 0.00 0.00 0.00 0.00 46.02 45.12 3ci0 n GLY 117 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 3ci0 s TYR 118 N -2.01 1.35 0.11 1.61 1.51 -0.59 -0.91 117.35 118.41 3ci0 s TYR 118 Ca 0.00 -0.34 -0.31 0.00 -1.01 0.00 0.00 57.07 55.41 3ci0 s TYR 118 Cb 0.00 -0.81 -0.08 0.00 -0.11 0.00 0.00 41.96 40.96 3ci0 s TYR 118 CO 0.00 0.04 1.39 -1.17 -1.11 0.00 0.00 175.55 174.70 3ci0 s LEU 119 N -1.05 4.37 0.00 -1.29 2.96 -0.06 -1.06 118.68 122.54 3ci0 s LEU 119 Ca 0.03 2.31 0.05 0.00 -0.22 0.00 0.00 54.13 56.30 3ci0 s LEU 119 Cb -0.08 -3.58 -0.01 0.00 0.50 0.00 0.00 46.19 43.01 3ci0 s LEU 119 CO 0.01 -0.66 -0.15 -0.70 -1.32 0.00 0.00 176.35 173.54 3ci0 s GLU 120 N 1.22 1.13 -0.17 1.98 2.12 -0.41 0.42 118.70 124.98 3ci0 s GLU 120 Ca 0.65 -0.58 -0.04 0.00 0.36 0.00 0.00 54.97 55.36 3ci0 s GLU 120 Cb -0.36 -1.11 -0.02 0.00 0.26 0.00 0.00 34.13 32.89 3ci0 s GLU 120 CO 0.30 0.30 -0.03 0.50 -0.54 0.00 0.00 175.26 175.79 3ci0 s ARG 121 N -0.52 3.62 -0.10 4.30 3.52 0.15 -2.28 118.95 127.64 3ci0 s ARG 121 Ca 0.05 -0.54 -0.02 0.00 -0.13 0.00 0.00 55.73 55.09 3ci0 s ARG 121 Cb -0.06 -2.96 -0.03 0.00 -1.56 0.00 0.00 34.95 30.33 3ci0 s ARG 121 CO -0.00 0.13 -0.02 -0.51 -0.81 0.00 0.00 175.30 174.08 3ci0 s LEU 122 N 0.67 3.40 -0.05 -0.88 1.02 0.33 -0.92 118.68 122.25 3ci0 s LEU 122 Ca -0.02 0.03 -0.00 0.00 0.02 0.00 0.00 54.13 54.16 3ci0 s LEU 122 Cb -0.14 -1.78 0.03 0.00 0.02 0.00 0.00 46.19 44.31 3ci0 s LEU 122 CO 0.02 0.31 0.00 0.00 0.02 0.00 0.00 176.35 176.71 3ci0 s ALA 123 N -0.50 0.49 -0.01 4.21 0.00 -0.96 -0.79 121.76 124.20 3ci0 s ALA 123 Ca 0.08 0.04 -0.05 0.00 0.00 0.00 0.00 51.96 52.03 3ci0 s ALA 123 Cb -0.12 -0.52 -0.04 0.00 0.00 0.00 0.00 23.12 22.43 3ci0 s ALA 123 CO 0.02 -0.26 0.22 -1.58 0.00 0.00 0.00 175.76 174.16 3ci0 s TRP 124 N 1.50 3.57 -2.00 0.00 0.51 -0.08 -1.24 118.94 121.19 3ci0 s TRP 124 Ca -0.03 0.48 0.21 0.00 -2.12 0.00 0.00 56.10 54.64 3ci0 s TRP 124 Cb -0.13 -1.92 1.26 0.00 -0.81 0.00 0.00 33.47 31.87 3ci0 s TRP 124 CO -0.03 0.64 1.80 -0.35 -0.51 0.00 0.00 176.95 178.51 3ci0 n PRO 125 N 1.13 0.99 -3.84 4.98 -0.04 -1.26 -3.56 135.00 133.41 3ci0 n PRO 125 Ca -0.12 0.00 -0.05 0.00 -0.04 0.00 0.00 63.50 63.29 3ci0 n PRO 125 Cb 0.53 -1.33 0.01 0.00 -0.04 0.00 0.00 33.50 32.67 3ci0 n PRO 125 CO 0.00 0.00 0.00 -0.48 -0.04 0.00 0.00 175.50 174.98 3ci0 s LEU 126 N -1.66 -0.04 0.37 1.53 0.05 -1.26 -4.90 118.68 112.77 3ci0 s LEU 126 Ca 0.32 -0.75 0.01 0.00 0.05 0.00 0.00 54.13 53.76 3ci0 s LEU 126 Cb 0.14 2.33 -0.03 0.00 -2.05 0.00 0.00 46.19 46.58 3ci0 s LEU 126 CO 0.24 -1.18 0.57 0.28 -0.55 0.00 0.00 176.35 175.72 3ci0 s THR 127 N -2.47 4.83 -1.42 5.48 -1.32 -1.26 -3.77 115.64 115.71 3ci0 s THR 127 Ca 0.18 -0.50 -0.10 0.00 -1.21 0.00 0.00 61.69 60.05 3ci0 s THR 127 Cb -0.03 -3.76 0.07 0.00 -1.51 0.00 0.00 72.50 67.26 3ci0 s THR 127 CO 0.06 -0.49 0.66 0.47 -2.21 0.00 0.00 174.62 173.11 3ci0 n ASP 128 N -1.83 -4.44 -4.76 8.08 8.00 -1.26 -4.88 116.55 115.46 3ci0 n ASP 128 Ca -0.03 -0.50 -0.36 0.00 0.71 0.00 0.00 54.79 54.61 3ci0 n ASP 128 Cb 0.57 -3.61 0.02 0.00 -0.02 0.00 0.00 41.12 38.07 3ci0 n ASP 128 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 3ci0 s ALA 129 N -3.09 2.61 0.64 2.24 0.00 -1.26 -4.91 121.76 117.99 3ci0 s ALA 129 Ca 0.47 0.94 -0.17 0.00 0.00 0.00 0.00 51.96 53.20 3ci0 s ALA 129 Cb -0.24 -3.42 -0.01 0.00 0.00 0.00 0.00 23.12 19.45 3ci0 s ALA 129 CO 0.58 -1.00 1.21 0.00 0.00 0.00 0.00 175.76 176.55 3ci0 s ALA 130 N -1.66 2.40 0.59 0.00 0.00 -1.26 -4.58 121.76 117.24 3ci0 s ALA 130 Ca 0.75 0.95 0.29 0.00 0.00 0.00 0.00 51.96 53.96 3ci0 s ALA 130 Cb -0.28 -3.46 1.69 0.00 0.00 0.00 0.00 23.12 21.08 3ci0 s ALA 130 CO 0.31 -1.43 2.14 0.78 0.00 0.00 0.00 175.76 177.56 3ci0 h GLY 131 N 0.43 0.00 1.88 0.00 0.00 -1.70 0.30 103.07 103.98 3ci0 h GLY 131 Ca -0.49 0.00 0.02 0.00 0.00 0.00 0.00 47.33 46.85 3ci0 h GLY 131 CO 0.53 0.00 0.05 1.48 0.00 0.00 0.00 176.54 178.60 3ci0 h SER 132 N 0.00 0.00 -3.43 0.19 4.64 -1.91 -3.41 113.55 109.63 3ci0 h SER 132 Ca 0.06 0.00 -0.57 0.00 -0.47 0.00 0.00 61.79 60.81 3ci0 h SER 132 Cb 0.34 0.00 -0.06 0.00 -0.31 0.00 0.00 62.40 62.37 3ci0 h SER 132 CO -0.00 0.00 0.93 -0.69 -0.87 0.00 0.00 176.83 176.20 3ci0 s VAL 133 N -4.97 4.24 -0.07 0.95 1.01 0.09 -5.02 120.40 116.63 3ci0 s VAL 133 Ca -0.05 1.35 -0.10 0.00 0.00 0.00 0.00 61.98 63.18 3ci0 s VAL 133 Cb 0.17 -4.41 -0.05 0.00 0.00 0.00 0.00 36.38 32.09 3ci0 s VAL 133 CO 0.65 -0.72 0.24 -0.54 0.00 0.00 0.00 175.10 174.73 3ci0 s LYS 134 N 4.23 3.63 0.43 2.72 1.02 -1.26 -4.88 119.74 125.63 3ci0 s LYS 134 Ca 0.51 0.08 -0.22 0.00 0.02 0.00 0.00 55.97 56.36 3ci0 s LYS 134 Cb -0.11 -3.20 -0.10 0.00 -0.52 0.00 0.00 37.83 33.89 3ci0 s LYS 134 CO 0.25 0.74 0.99 -1.25 -0.92 0.00 0.00 175.35 175.16 3ci0 s PRO 135 N -1.03 4.16 0.00 -1.68 0.04 -1.26 -4.90 135.00 130.33 3ci0 s PRO 135 Ca 0.18 1.27 0.00 0.00 0.04 0.00 0.00 61.00 62.49 3ci0 s PRO 135 Cb -0.14 -2.29 0.00 0.00 0.04 0.00 0.00 34.50 32.11 3ci0 s PRO 135 CO 0.08 -0.11 0.00 0.25 0.04 0.00 0.00 177.00 177.26 3ci0 n THR 136 N -0.48 0.00 0.00 1.26 -2.24 -0.38 -4.82 114.28 107.63 3ci0 n THR 136 Ca 0.07 0.00 0.00 0.00 -2.27 0.00 0.00 64.05 61.85 3ci0 n THR 136 Cb 0.52 -0.86 0.00 0.00 -2.10 0.00 0.00 70.33 67.89 3ci0 n THR 136 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 3ci0 n GLN 138 N 0.00 0.00 -2.33 -0.78 6.02 -0.10 -2.27 117.38 117.92 3ci0 n GLN 138 Ca 0.00 0.00 -0.43 0.00 -0.01 0.00 0.00 57.00 56.56 3ci0 n GLN 138 Cb 0.00 0.00 -0.02 0.00 1.02 0.00 0.00 30.24 31.24 3ci0 n GLN 138 CO 0.00 0.00 0.00 0.21 -1.01 0.00 0.00 177.06 176.26 3ci0 s LYS 139 N 0.00 4.23 0.00 -1.09 2.20 -1.26 -0.67 119.74 123.15 3ci0 s LYS 139 Ca 0.00 1.79 0.00 0.00 -0.36 0.00 0.00 55.97 57.40 3ci0 s LYS 139 Cb 0.00 -3.79 0.00 0.00 -1.51 0.00 0.00 37.83 32.53 3ci0 s LYS 139 CO 0.00 -0.71 0.00 1.28 -0.36 0.00 0.00 175.35 175.56 3ci0 n LEU 140 N 6.58 0.00 -4.76 5.43 4.77 0.17 -4.97 117.00 124.21 3ci0 n LEU 140 Ca 0.14 0.00 -0.37 0.00 -0.03 0.00 0.00 56.01 55.75 3ci0 n LEU 140 Cb 0.44 0.00 0.01 0.00 -2.33 0.00 0.00 43.42 41.55 3ci0 n LEU 140 CO 0.57 0.00 0.88 0.27 -1.33 0.00 0.00 177.39 177.78 3ci0 s ILE 141 N 4.26 2.69 0.23 -0.08 -4.36 -1.26 -4.63 121.20 118.05 3ci0 s ILE 141 Ca 0.00 0.50 -0.31 0.00 -0.26 0.00 0.00 60.65 60.58 3ci0 s ILE 141 Cb 0.00 -3.24 -0.14 0.00 1.25 0.00 0.00 42.46 40.33 3ci0 s ILE 141 CO 0.00 -0.03 1.29 -2.65 0.24 0.00 0.00 174.94 173.79 3ci0 n PRO 142 N -0.88 1.71 -3.58 0.37 -0.02 -1.26 -0.89 135.00 130.45 3ci0 n PRO 142 Ca 0.10 0.61 -0.12 0.00 -2.02 0.00 0.00 63.50 62.06 3ci0 n PRO 142 Cb 0.47 -2.18 -0.06 0.00 -0.02 0.00 0.00 33.50 31.71 3ci0 n PRO 142 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 3ci0 s ALA 143 N -0.26 -1.90 0.00 3.55 0.00 -0.09 -4.34 121.76 118.73 3ci0 s ALA 143 Ca 0.68 1.60 0.00 0.00 0.00 0.00 0.00 51.96 54.24 3ci0 s ALA 143 Cb -0.71 -0.70 0.00 0.00 0.00 0.00 0.00 23.12 21.71 3ci0 s ALA 143 CO 0.52 -0.31 0.21 -0.40 0.00 0.00 0.00 175.76 175.78 3ci0 n ASP 144 N 1.10 0.42 -3.58 0.00 5.68 -0.73 -3.08 116.55 116.36 3ci0 n ASP 144 Ca -0.13 -0.83 -0.02 0.00 -0.50 0.00 0.00 54.79 53.31 3ci0 n ASP 144 Cb 0.57 0.12 -0.05 0.00 -1.14 0.00 0.00 41.12 40.63 3ci0 n ASP 144 CO 0.00 0.00 0.00 -0.94 -1.33 0.00 0.00 177.20 174.93 3ci0 s SER 145 N -0.12 -0.86 -0.19 -1.12 1.04 -1.26 -4.90 113.70 106.28 3ci0 s SER 145 Ca 0.00 1.25 -0.00 0.00 0.48 0.00 0.00 55.95 57.67 3ci0 s SER 145 Cb 0.00 1.79 0.01 0.00 0.10 0.00 0.00 66.02 67.92 3ci0 s SER 145 CO 0.00 -0.18 -0.15 -0.22 0.98 0.00 0.00 173.24 173.66 3ci0 s LEU 146 N 2.29 2.36 -0.04 2.42 0.20 -1.26 -2.43 118.68 122.22 3ci0 s LEU 146 Ca -0.06 -0.57 0.07 0.00 0.69 0.00 0.00 54.13 54.26 3ci0 s LEU 146 Cb -0.08 -1.56 -0.02 0.00 -0.43 0.00 0.00 46.19 44.11 3ci0 s LEU 146 CO -0.18 -0.00 -0.25 -0.13 -0.29 0.00 0.00 176.35 175.49 3ci0 s ARG 147 N 1.33 2.32 -0.06 1.98 1.81 0.61 -2.02 118.95 124.93 3ci0 s ARG 147 Ca 0.05 -0.91 0.05 0.00 -1.72 0.00 0.00 55.73 53.20 3ci0 s ARG 147 Cb -0.13 -2.09 -0.01 0.00 -0.45 0.00 0.00 34.95 32.27 3ci0 s ARG 147 CO -0.10 0.47 -0.22 -0.51 -0.68 0.00 0.00 175.30 174.26 3ci0 s LEU 148 N -0.38 2.00 0.21 2.53 1.43 -1.26 -0.89 118.68 122.32 3ci0 s LEU 148 Ca 0.03 -0.45 0.10 0.00 -1.03 0.00 0.00 54.13 52.77 3ci0 s LEU 148 Cb -0.12 -1.22 -0.05 0.00 0.03 0.00 0.00 46.19 44.84 3ci0 s LEU 148 CO 0.01 0.20 -0.18 -1.10 0.23 0.00 0.00 176.35 175.51 3ci0 s GLN 149 N -0.03 1.43 -0.05 1.70 1.11 -0.31 -4.74 119.66 118.78 3ci0 s GLN 149 Ca -0.05 -1.58 0.01 0.00 0.01 0.00 0.00 55.36 53.75 3ci0 s GLN 149 Cb -0.13 -1.44 0.02 0.00 -1.01 0.00 0.00 33.01 30.44 3ci0 s GLN 149 CO 0.04 0.27 -0.06 -0.06 0.01 0.00 0.00 175.29 175.49 3ci0 s PHE 150 N -2.43 0.88 -0.27 0.91 0.40 0.83 -1.13 117.98 117.17 3ci0 s PHE 150 Ca 0.22 -0.27 -0.11 0.00 -0.60 0.00 0.00 56.93 56.18 3ci0 s PHE 150 Cb -0.04 -0.74 -0.05 0.00 0.51 0.00 0.00 43.02 42.70 3ci0 s PHE 150 CO 0.09 -0.21 0.17 -0.47 0.70 0.00 0.00 175.22 175.51 3ci0 s TYR 151 N 0.88 3.23 -2.54 0.36 5.04 -0.74 0.85 117.35 124.44 3ci0 s TYR 151 Ca -0.11 0.10 0.27 0.00 -2.44 0.00 0.00 57.07 54.88 3ci0 s TYR 151 Cb -0.15 -2.35 0.80 0.00 0.35 0.00 0.00 41.96 40.62 3ci0 s TYR 151 CO 0.01 -0.13 1.60 -0.40 -1.34 0.00 0.00 175.55 175.29 3ci0 n ASP 152 N 4.91 1.81 0.00 4.32 5.75 -0.70 -1.25 116.55 131.39 3ci0 n ASP 152 Ca -0.14 -1.56 0.00 0.00 -0.01 0.00 0.00 54.79 53.08 3ci0 n ASP 152 Cb 0.52 0.02 0.00 0.00 -1.03 0.00 0.00 41.12 40.63 3ci0 n ASP 152 CO 0.00 0.00 0.00 0.61 -0.11 0.00 0.00 177.20 177.70 3ci0 n GLY 153 N 1.23 1.96 1.03 6.12 0.00 -1.26 -4.74 105.19 109.53 3ci0 n GLY 153 Ca 0.17 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.19 3ci0 n GLY 153 CO 0.00 0.00 0.00 2.41 0.00 0.00 0.00 173.32 175.73 3ci0 n THR 154 N -0.34 0.00 -4.12 2.61 -1.04 -1.26 -5.13 114.28 105.00 3ci0 n THR 154 Ca 0.00 0.00 -0.08 0.00 -2.04 0.00 0.00 64.05 61.93 3ci0 n THR 154 Cb 0.00 -0.79 -0.10 0.00 -1.82 0.00 0.00 70.33 67.62 3ci0 n THR 154 CO 0.00 0.00 0.00 -0.13 -0.64 0.00 0.00 175.07 174.30 3ci0 s ARG 155 N -1.85 0.70 -0.13 -2.82 0.52 -1.26 -5.13 118.95 108.97 3ci0 s ARG 155 Ca 0.00 -1.27 -0.23 0.00 -0.52 0.00 0.00 55.73 53.71 3ci0 s ARG 155 Cb 0.00 0.07 -0.03 0.00 0.52 0.00 0.00 34.95 35.51 3ci0 s ARG 155 CO 0.00 -0.08 0.71 -1.58 0.02 0.00 0.00 175.30 174.37 3ci0 s TRP 156 N -3.82 3.48 0.15 -0.53 0.52 -1.26 -1.72 118.94 115.75 3ci0 s TRP 156 Ca 0.09 1.16 0.10 0.00 0.02 0.00 0.00 56.10 57.47 3ci0 s TRP 156 Cb 0.07 -2.85 -0.04 0.00 -1.15 0.00 0.00 33.47 29.50 3ci0 s TRP 156 CO -0.08 -0.07 -0.24 1.14 0.02 0.00 0.00 176.95 177.72 3ci0 s GLN 157 N 1.45 1.36 0.09 4.98 -2.07 0.25 -4.93 119.66 120.80 3ci0 s GLN 157 Ca 0.35 -1.37 0.01 0.00 -1.82 0.00 0.00 55.36 52.54 3ci0 s GLN 157 Cb -0.17 -1.73 -0.25 0.00 -1.09 0.00 0.00 33.01 29.78 3ci0 s GLN 157 CO 0.14 0.39 1.19 1.49 -1.32 0.00 0.00 175.29 177.19 3ci0 h GLU 158 N 3.67 0.14 -6.32 9.60 4.81 -1.85 0.24 114.58 124.87 3ci0 h GLU 158 Ca -0.48 -0.25 -0.60 0.00 -0.13 0.00 0.00 59.36 57.90 3ci0 h GLU 158 Cb 1.19 0.09 -0.13 0.00 0.63 0.00 0.00 28.75 30.53 3ci0 h GLU 158 CO 0.43 1.11 -0.72 -1.12 -0.73 0.00 0.00 179.01 177.98 3ci0 s SER 159 N -6.93 4.06 -0.10 1.04 0.01 -1.26 -4.62 113.70 105.90 3ci0 s SER 159 Ca -0.02 -0.77 0.03 0.00 1.31 0.00 0.00 55.95 56.50 3ci0 s SER 159 Cb 0.08 -0.58 0.01 0.00 0.21 0.00 0.00 66.02 65.74 3ci0 s SER 159 CO 0.85 0.05 -0.19 0.86 0.41 0.00 0.00 173.24 175.23 3ci0 s TRP 160 N -2.14 2.18 0.00 2.43 -0.11 -1.26 -4.85 118.94 115.19 3ci0 s TRP 160 Ca 0.28 -0.94 0.00 0.00 1.22 0.00 0.00 56.10 56.66 3ci0 s TRP 160 Cb -0.07 -1.51 0.00 0.00 -1.50 0.00 0.00 33.47 30.39 3ci0 s TRP 160 CO 0.16 -0.43 0.26 -1.13 -4.62 0.00 0.00 176.95 171.19 3ci0 n SER 161 N 3.82 0.39 -4.77 5.86 3.41 -1.26 -4.71 113.62 116.37 3ci0 n SER 161 Ca -0.20 -1.06 -0.35 0.00 -0.26 0.00 0.00 58.87 57.00 3ci0 n SER 161 Cb 0.52 0.00 0.02 0.00 -0.26 0.00 0.00 64.21 64.49 3ci0 n SER 161 CO 0.00 0.00 0.00 -0.55 -0.16 0.00 0.00 175.04 174.33 3ci0 s SER 162 N -0.06 5.48 -0.13 4.04 0.15 -1.26 -4.96 113.70 116.96 3ci0 s SER 162 Ca 0.00 2.19 -0.20 0.00 0.70 0.00 0.00 55.95 58.64 3ci0 s SER 162 Cb 0.00 -2.58 -0.26 0.00 -1.71 0.00 0.00 66.02 61.47 3ci0 s SER 162 CO 0.00 -1.39 0.55 0.58 1.20 0.00 0.00 173.24 174.18 3ci0 h VAL 163 N 0.90 1.17 0.00 4.45 2.07 -1.97 -3.41 116.25 119.45 3ci0 h VAL 163 Ca -0.49 -2.36 -0.32 0.00 0.82 0.00 0.00 66.70 64.35 3ci0 h VAL 163 Cb 1.27 2.76 -0.06 0.00 -1.52 0.00 0.00 31.29 33.74 3ci0 h VAL 163 CO 0.56 0.61 -2.21 0.00 0.02 0.00 0.00 177.57 176.55 3ci0 n GLN 164 N -4.15 0.59 -2.74 1.57 3.00 -1.26 -0.83 117.38 113.55 3ci0 n GLN 164 Ca -0.23 0.11 -0.34 0.00 -0.01 0.00 0.00 57.00 56.53 3ci0 n GLN 164 Cb 0.78 -1.43 -0.06 0.00 0.00 0.00 0.00 30.24 29.53 3ci0 n GLN 164 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.06 177.06 3ci0 s ALA 165 N -2.43 3.05 0.24 -1.58 0.00 -1.26 -4.33 121.76 115.45 3ci0 s ALA 165 Ca -0.27 0.48 0.11 0.00 0.00 0.00 0.00 51.96 52.28 3ci0 s ALA 165 Cb 0.07 -3.18 -0.05 0.00 0.00 0.00 0.00 23.12 19.96 3ci0 s ALA 165 CO 0.51 0.03 -0.13 0.96 0.00 0.00 0.00 175.76 177.13 3ci0 s ILE 166 N -2.00 2.87 0.93 0.00 -4.36 -1.26 -4.66 121.20 112.72 3ci0 s ILE 166 Ca 0.60 -2.07 -0.11 0.00 -0.26 0.00 0.00 60.65 58.81 3ci0 s ILE 166 Cb -0.13 -2.48 0.15 0.00 1.25 0.00 0.00 42.46 41.25 3ci0 s ILE 166 CO 0.17 -0.30 1.09 -2.84 0.24 0.00 0.00 174.94 173.31 3ci0 s PRO 167 N -3.31 0.96 0.08 0.37 0.02 -1.26 -4.97 135.00 126.88 3ci0 s PRO 167 Ca 0.28 0.97 -0.07 0.00 0.02 0.00 0.00 61.00 62.20 3ci0 s PRO 167 Cb -0.07 -1.76 -0.27 0.00 0.02 0.00 0.00 34.50 32.43 3ci0 s PRO 167 CO 0.16 -2.49 1.14 0.28 -0.33 0.00 0.00 177.00 175.76 3ci0 h VAL 168 N -1.74 1.43 -3.73 3.83 2.07 -1.47 -3.43 116.25 113.22 3ci0 h VAL 168 Ca -0.50 -2.86 -0.10 0.00 0.82 0.00 0.00 66.70 64.06 3ci0 h VAL 168 Cb 1.28 2.86 -0.16 0.00 -1.52 0.00 0.00 31.29 33.76 3ci0 h VAL 168 CO 0.52 0.84 -0.42 0.00 0.02 0.00 0.00 177.57 178.53 3ci0 s ALA 169 N -2.77 -0.22 -0.03 1.67 0.00 -1.16 -0.87 121.76 118.38 3ci0 s ALA 169 Ca -0.05 -0.50 0.04 0.00 0.00 0.00 0.00 51.96 51.44 3ci0 s ALA 169 Cb 0.07 0.36 -0.00 0.00 0.00 0.00 0.00 23.12 23.54 3ci0 s ALA 169 CO 0.90 -0.42 -0.14 0.08 0.00 0.00 0.00 175.76 176.18 3ci0 s VAL 170 N -3.18 1.17 0.55 0.00 1.01 -0.28 -1.79 120.40 117.88 3ci0 s VAL 170 Ca -0.00 -0.59 0.06 0.00 0.00 0.00 0.00 61.98 61.44 3ci0 s VAL 170 Cb 0.02 -1.00 0.05 0.00 0.00 0.00 0.00 36.38 35.45 3ci0 s VAL 170 CO -0.07 0.34 0.46 -0.60 0.00 0.00 0.00 175.10 175.23 3ci0 s ARG 171 N -0.06 2.26 -0.30 2.72 3.52 -0.28 -0.81 118.95 126.00 3ci0 s ARG 171 Ca -0.00 -1.97 -0.19 0.00 -0.13 0.00 0.00 55.73 53.45 3ci0 s ARG 171 Cb -0.09 -2.18 0.21 0.00 -1.56 0.00 0.00 34.95 31.34 3ci0 s ARG 171 CO 0.01 -0.65 1.33 0.99 -0.81 0.00 0.00 175.30 176.17 3ci0 s THR 173 N -2.76 0.00 0.05 4.11 2.01 -0.07 -1.16 115.64 117.81 3ci0 s THR 173 Ca 0.38 0.00 -0.03 0.00 0.31 0.00 0.00 61.69 62.35 3ci0 s THR 173 Cb -0.03 -1.00 -0.02 0.00 0.01 0.00 0.00 72.50 71.46 3ci0 s THR 173 CO 0.24 0.00 0.04 -1.48 -0.69 0.00 0.00 174.62 172.72 3ci0 s LEU 174 N 0.73 2.11 -0.24 4.42 0.05 -0.41 -0.28 118.68 125.05 3ci0 s LEU 174 Ca -0.03 -0.73 -0.09 0.00 0.05 0.00 0.00 54.13 53.33 3ci0 s LEU 174 Cb -0.03 0.41 -0.04 0.00 -2.05 0.00 0.00 46.19 44.48 3ci0 s LEU 174 CO -0.11 -0.54 0.11 -2.28 -0.55 0.00 0.00 176.35 172.98 3ci0 s HIS 175 N -3.11 3.19 -0.13 3.48 5.65 -1.02 -1.15 115.29 122.19 3ci0 s HIS 175 Ca -0.01 -0.08 -0.01 0.00 0.25 0.00 0.00 55.06 55.22 3ci0 s HIS 175 Cb 0.02 -2.25 -0.02 0.00 -1.18 0.00 0.00 32.58 29.15 3ci0 s HIS 175 CO -0.07 -0.13 -0.10 0.45 -0.65 0.00 0.00 174.74 174.24 3ci0 s SER 176 N 1.30 4.30 0.41 9.88 0.15 0.46 -1.78 113.70 128.43 3ci0 s SER 176 Ca 0.06 -0.24 0.11 0.00 0.70 0.00 0.00 55.95 56.58 3ci0 s SER 176 Cb -0.15 -1.62 0.87 0.00 -1.71 0.00 0.00 66.02 63.42 3ci0 s SER 176 CO 0.05 0.18 1.95 1.55 1.20 0.00 0.00 173.24 178.18 3ci0 h PRO 177 N 6.57 0.15 -0.08 5.44 0.13 -1.85 0.59 132.00 142.96 3ci0 h PRO 177 Ca -0.29 -0.03 -0.14 0.00 -0.87 0.00 0.00 66.00 64.67 3ci0 h PRO 177 Cb 1.20 -0.02 -0.01 0.00 0.13 0.00 0.00 31.00 32.30 3ci0 h PRO 177 CO 0.58 0.30 -0.56 1.96 -0.23 0.00 0.00 178.00 180.04 3ci0 h GLN 178 N 0.15 0.26 0.00 0.86 4.20 -1.95 -3.40 115.11 115.23 3ci0 h GLN 178 Ca 0.03 -0.17 0.00 0.00 0.06 0.00 0.00 58.65 58.58 3ci0 h GLN 178 Cb 0.34 0.02 0.00 0.00 0.30 0.00 0.00 27.48 28.14 3ci0 h GLN 178 CO 0.02 0.75 -0.85 0.91 -0.67 0.00 0.00 178.83 179.00 3ci0 n TRP 179 N -3.91 0.00 -0.60 2.96 7.02 -1.12 -5.14 117.44 116.64 3ci0 n TRP 179 Ca -0.02 0.00 0.00 0.00 -1.02 0.00 0.00 57.50 56.46 3ci0 n TRP 179 Cb 0.59 0.00 0.00 0.00 -2.42 0.00 0.00 31.31 29.48 3ci0 n TRP 179 CO 0.00 0.00 0.00 0.41 -2.02 0.00 0.00 177.69 176.08 3ci0 n GLY 180 N 2.38 0.09 3.67 6.99 0.00 0.21 -4.92 105.19 113.61 3ci0 n GLY 180 Ca 0.00 -1.68 -0.40 0.00 0.00 0.00 0.00 46.02 43.93 3ci0 n GLY 180 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 3ci0 s GLU 181 N 0.00 4.27 -0.12 1.61 2.12 -1.26 -0.40 118.70 124.92 3ci0 s GLU 181 Ca 0.00 0.78 0.03 0.00 0.36 0.00 0.00 54.97 56.14 3ci0 s GLU 181 Cb 0.00 -3.56 0.00 0.00 0.26 0.00 0.00 34.13 30.83 3ci0 s GLU 181 CO 0.00 -0.22 -0.21 0.42 -0.54 0.00 0.00 175.26 174.71 3ci0 s ILE 182 N 1.81 2.25 -0.07 -3.70 1.01 -0.30 -5.00 121.20 117.20 3ci0 s ILE 182 Ca 0.33 -0.94 0.04 0.00 0.00 0.00 0.00 60.65 60.08 3ci0 s ILE 182 Cb -0.16 -1.89 -0.02 0.00 0.01 0.00 0.00 42.46 40.40 3ci0 s ILE 182 CO 0.12 0.55 -0.20 -0.70 0.00 0.00 0.00 174.94 174.71 3ci0 s GLU 183 N 0.51 2.68 -0.02 2.79 2.12 -1.26 -1.29 118.70 124.23 3ci0 s GLU 183 Ca -0.14 -0.80 0.01 0.00 0.36 0.00 0.00 54.97 54.40 3ci0 s GLU 183 Cb -0.17 -2.31 0.01 0.00 0.26 0.00 0.00 34.13 31.92 3ci0 s GLU 183 CO 0.05 0.42 -0.02 1.03 -0.54 0.00 0.00 175.26 176.20 3ci0 s ARG 184 N -0.24 0.40 -0.18 4.30 1.81 -1.26 -5.02 118.95 118.76 3ci0 s ARG 184 Ca -0.00 -0.05 -0.06 0.00 -1.72 0.00 0.00 55.73 53.90 3ci0 s ARG 184 Cb -0.13 -0.47 -0.03 0.00 -0.45 0.00 0.00 34.95 33.87 3ci0 s ARG 184 CO 0.03 -0.03 0.02 0.42 -0.68 0.00 0.00 175.30 175.06 3ci0 s ILE 185 N 0.52 4.32 -0.04 1.52 -1.09 -1.26 -4.26 121.20 120.91 3ci0 s ILE 185 Ca -0.05 -0.20 0.05 0.00 -2.23 0.00 0.00 60.65 58.22 3ci0 s ILE 185 Cb -0.09 -2.94 -0.01 0.00 -1.58 0.00 0.00 42.46 37.85 3ci0 s ILE 185 CO -0.01 0.46 -0.21 0.26 -1.23 0.00 0.00 174.94 174.21 3ci0 s TRP 186 N 0.54 2.04 0.13 3.97 0.51 0.01 -4.99 118.94 121.15 3ci0 s TRP 186 Ca 0.00 -0.56 -0.30 0.00 -2.12 0.00 0.00 56.10 53.12 3ci0 s TRP 186 Cb -0.14 -1.35 -0.06 0.00 -0.81 0.00 0.00 33.47 31.11 3ci0 s TRP 186 CO 0.02 -0.16 1.01 -0.51 -0.51 0.00 0.00 176.95 176.79 3ci0 s LEU 187 N -0.14 4.50 0.16 2.99 1.43 -1.26 -1.13 118.68 125.23 3ci0 s LEU 187 Ca -0.02 1.89 0.23 0.00 -1.03 0.00 0.00 54.13 55.20 3ci0 s LEU 187 Cb -0.12 -3.59 0.01 0.00 0.03 0.00 0.00 46.19 42.52 3ci0 s LEU 187 CO 0.02 -0.11 1.02 0.18 0.23 0.00 0.00 176.35 177.69 3ci0 n LEU 188 N 2.66 0.73 -2.58 1.79 4.77 -0.05 -4.49 117.00 119.83 3ci0 n LEU 188 Ca 0.02 0.25 -0.04 0.00 -0.03 0.00 0.00 56.01 56.21 3ci0 n LEU 188 Cb 0.48 -0.07 0.10 0.00 -2.33 0.00 0.00 43.42 41.60 3ci0 n LEU 188 CO 0.52 -0.13 0.55 -2.11 -1.33 0.00 0.00 177.39 174.89 3ci0 n ARG 189 N -2.50 1.04 0.00 3.23 1.85 -1.26 -4.22 116.66 114.80 3ci0 n ARG 189 Ca 0.00 -1.30 0.00 0.00 -1.00 0.00 0.00 57.85 55.55 3ci0 n ARG 189 Cb 0.53 0.14 0.00 0.00 -1.05 0.00 0.00 32.46 32.08 3ci0 n ARG 189 CO 0.00 0.00 0.00 0.41 -0.01 0.00 0.00 177.63 178.03 3ci0 n GLY 190 N -0.89 0.24 3.80 2.89 0.00 -1.26 -4.81 105.19 105.16 3ci0 n GLY 190 Ca -0.11 -0.92 -0.34 0.00 0.00 0.00 0.00 46.02 44.65 3ci0 n GLY 190 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 3ci0 s PRO 191 N 0.00 3.60 0.00 1.61 0.04 -1.26 -5.05 135.00 133.95 3ci0 s PRO 191 Ca 0.00 1.31 0.08 0.00 0.04 0.00 0.00 61.00 62.43 3ci0 s PRO 191 Cb 0.00 -2.07 0.06 0.00 0.04 0.00 0.00 34.50 32.53 3ci0 s PRO 191 CO 0.00 -0.59 0.74 1.04 0.04 0.00 0.00 177.00 178.23