#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3ioc n ILE 3 N 0.00 1.63 -1.20 0.00 2.08 -1.26 -4.97 119.36 115.63 3ioc n ILE 3 Ca 0.00 -0.41 -0.30 0.00 0.56 0.00 0.00 62.75 62.59 3ioc n ILE 3 Cb 0.00 0.00 0.24 0.00 -0.75 0.00 0.00 39.64 39.13 3ioc n ILE 3 CO 0.00 0.00 0.00 -2.16 0.56 0.00 0.00 176.55 174.95 3ioc s PRO 4 N -0.83 -1.05 -0.25 0.38 0.04 -1.26 -4.91 135.00 127.12 3ioc s PRO 4 Ca 0.53 -0.16 -0.29 0.00 0.04 0.00 0.00 61.00 61.13 3ioc s PRO 4 Cb -0.76 -1.62 -0.03 0.00 0.04 0.00 0.00 34.50 32.12 3ioc s PRO 4 CO 0.46 -3.58 1.87 0.00 0.04 0.00 0.00 177.00 175.79 3ioc s ALA 5 N -3.14 2.97 -0.19 8.56 0.00 -1.26 -4.97 121.76 123.73 3ioc s ALA 5 Ca 0.72 0.50 -0.00 0.00 0.00 0.00 0.00 51.96 53.18 3ioc s ALA 5 Cb -0.08 -3.98 0.01 0.00 0.00 0.00 0.00 23.12 19.07 3ioc s ALA 5 CO 0.55 -2.45 -0.16 0.12 0.00 0.00 0.00 175.76 173.83 3ioc s PHE 6 N 6.69 2.82 -0.49 0.00 5.36 -1.26 -5.02 117.98 126.08 3ioc s PHE 6 Ca 0.84 -1.42 -0.06 0.00 -0.96 0.00 0.00 56.93 55.33 3ioc s PHE 6 Cb -0.27 -1.96 0.13 0.00 -0.34 0.00 0.00 43.02 40.58 3ioc s PHE 6 CO 0.34 -0.71 0.33 -1.01 -1.46 0.00 0.00 175.22 172.71 3ioc s HIS 7 N 1.28 3.50 0.97 10.12 3.76 -1.26 -5.11 115.29 128.56 3ioc s HIS 7 Ca 0.04 -2.21 -0.14 0.00 -0.15 0.00 0.00 55.06 52.60 3ioc s HIS 7 Cb -0.14 -3.37 -0.03 0.00 1.11 0.00 0.00 32.58 30.15 3ioc s HIS 7 CO -0.09 -0.96 -0.04 -2.30 -0.85 0.00 0.00 174.74 170.50 3ioc n PRO 8 N 4.52 -0.23 -0.40 8.40 -0.01 -1.26 -2.87 135.00 143.15 3ioc n PRO 8 Ca -0.02 -0.04 0.00 0.00 -0.01 0.00 0.00 63.50 63.43 3ioc n PRO 8 Cb 0.41 -1.56 0.00 0.00 -0.01 0.00 0.00 33.50 32.34 3ioc n PRO 8 CO 0.00 0.00 0.00 0.41 -0.01 0.00 0.00 175.50 175.90 3ioc n GLY 9 N 2.20 0.03 3.55 -1.23 0.00 -1.26 -4.96 105.19 103.53 3ioc n GLY 9 Ca 0.04 0.00 -0.26 0.00 0.00 0.00 0.00 46.02 45.80 3ioc n GLY 9 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 3ioc s GLU 10 N -0.77 1.83 -0.46 1.61 2.02 -1.14 -5.00 118.70 116.80 3ioc s GLU 10 Ca 0.00 -2.00 -0.29 0.00 0.02 0.00 0.00 54.97 52.70 3ioc s GLU 10 Cb 0.00 -1.45 0.02 0.00 0.10 0.00 0.00 34.13 32.79 3ioc s GLU 10 CO 0.00 -0.03 1.32 -1.17 0.02 0.00 0.00 175.26 175.40 3ioc s LEU 11 N -3.62 3.57 -0.21 1.80 2.96 -1.26 -4.30 118.68 117.64 3ioc s LEU 11 Ca 0.34 0.63 -0.09 0.00 -0.22 0.00 0.00 54.13 54.79 3ioc s LEU 11 Cb 0.07 -3.48 -0.04 0.00 0.50 0.00 0.00 46.19 43.24 3ioc s LEU 11 CO 0.17 -1.41 0.10 0.20 -1.32 0.00 0.00 176.35 174.08 3ioc s ASN 12 N 3.50 5.82 -0.06 3.68 0.01 0.14 -4.99 114.94 123.04 3ioc s ASN 12 Ca 0.56 0.09 -0.01 0.00 -0.71 0.00 0.00 52.86 52.79 3ioc s ASN 12 Cb -0.11 -2.02 -0.03 0.00 0.41 0.00 0.00 41.25 39.50 3ioc s ASN 12 CO 0.31 0.13 0.00 -0.69 -1.51 0.00 0.00 177.10 175.35 3ioc s VAL 13 N 0.65 4.28 0.03 1.60 1.01 -1.26 -1.55 120.40 125.16 3ioc s VAL 13 Ca 0.05 -0.35 -0.04 0.00 0.00 0.00 0.00 61.98 61.64 3ioc s VAL 13 Cb -0.13 -2.83 -0.01 0.00 0.00 0.00 0.00 36.38 33.41 3ioc s VAL 13 CO 0.01 0.54 0.07 -0.31 0.00 0.00 0.00 175.10 175.41 3ioc s TYR 14 N -0.95 0.22 0.00 5.22 2.02 -1.07 -5.00 117.35 117.78 3ioc s TYR 14 Ca 0.15 -0.52 0.00 0.00 -0.37 0.00 0.00 57.07 56.34 3ioc s TYR 14 Cb -0.11 -0.16 0.00 0.00 -0.40 0.00 0.00 41.96 41.29 3ioc s TYR 14 CO 0.05 -0.33 0.10 0.43 -1.57 0.00 0.00 175.55 174.22 3ioc n SER 15 N 0.90 0.19 -4.61 2.29 7.64 -1.26 -1.03 113.62 117.74 3ioc n SER 15 Ca -0.20 -0.59 -0.43 0.00 1.01 0.00 0.00 58.87 58.66 3ioc n SER 15 Cb 0.58 0.21 -0.02 0.00 -1.01 0.00 0.00 64.21 63.96 3ioc n SER 15 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 3ioc s ALA 16 N -0.21 3.29 0.25 -0.43 0.00 -1.26 -4.15 121.76 119.26 3ioc s ALA 16 Ca 0.00 -0.36 -0.07 0.00 0.00 0.00 0.00 51.96 51.53 3ioc s ALA 16 Cb 0.00 -3.78 0.40 0.00 0.00 0.00 0.00 23.12 19.75 3ioc s ALA 16 CO 0.00 -1.94 1.38 -2.30 0.00 0.00 0.00 175.76 172.90 3ioc n PRO 17 N 7.39 -0.08 -0.20 0.00 -0.02 -1.26 -1.68 135.00 139.15 3ioc n PRO 17 Ca 0.11 1.38 0.01 0.00 -2.02 0.00 0.00 63.50 62.99 3ioc n PRO 17 Cb 0.48 -2.06 0.27 0.00 -0.02 0.00 0.00 33.50 32.16 3ioc n PRO 17 CO 0.00 0.00 0.00 0.78 1.98 0.00 0.00 175.50 178.26 3ioc h GLY 18 N 0.00 1.02 0.68 -1.23 0.00 -1.96 -1.87 103.07 99.70 3ioc h GLY 18 Ca 0.42 -0.38 -0.02 0.00 0.00 0.00 0.00 47.33 47.36 3ioc h GLY 18 CO -0.91 0.36 -0.02 -0.55 0.00 0.00 0.00 176.54 175.42 3ioc h ASP 19 N 0.97 0.13 0.40 0.19 3.32 -1.73 -0.77 116.42 118.94 3ioc h ASP 19 Ca 0.27 -0.38 -0.08 0.00 0.02 0.00 0.00 57.03 56.85 3ioc h ASP 19 Cb -0.09 -0.04 -0.01 0.00 0.22 0.00 0.00 39.33 39.41 3ioc h ASP 19 CO -0.06 0.49 -0.39 1.62 -1.72 0.00 0.00 179.24 179.17 3ioc h VAL 20 N -0.22 1.27 -0.26 -1.35 3.04 -1.28 -2.02 116.25 115.43 3ioc h VAL 20 Ca 0.02 -1.36 -0.11 0.00 -1.01 0.00 0.00 66.70 64.24 3ioc h VAL 20 Cb 0.43 1.73 -0.01 0.00 -2.01 0.00 0.00 31.29 31.43 3ioc h VAL 20 CO 0.01 0.39 -0.32 0.00 -1.01 0.00 0.00 177.57 176.63 3ioc h ALA 21 N 1.61 0.97 -0.34 3.17 0.00 -1.25 0.05 119.26 123.46 3ioc h ALA 21 Ca -0.00 -0.39 -0.15 0.00 0.00 0.00 0.00 54.91 54.36 3ioc h ALA 21 Cb 0.70 -0.12 -0.01 0.00 0.00 0.00 0.00 17.79 18.37 3ioc h ALA 21 CO 0.05 0.61 -0.39 -0.44 0.00 0.00 0.00 179.25 179.07 3ioc h ASP 22 N 0.46 0.89 -0.01 0.00 3.32 -0.77 -2.72 116.42 117.60 3ioc h ASP 22 Ca 0.06 -0.40 -0.09 0.00 0.02 0.00 0.00 57.03 56.61 3ioc h ASP 22 Cb 0.78 -0.25 0.01 0.00 0.22 0.00 0.00 39.33 40.09 3ioc h ASP 22 CO 0.06 1.17 -0.36 0.58 -1.72 0.00 0.00 179.24 178.98 3ioc h VAL 23 N 0.68 1.50 0.19 -1.35 2.07 -1.42 -2.97 116.25 114.95 3ioc h VAL 23 Ca 0.05 -1.96 0.01 0.00 0.82 0.00 0.00 66.70 65.62 3ioc h VAL 23 Cb 0.96 2.68 -0.04 0.00 -1.52 0.00 0.00 31.29 33.37 3ioc h VAL 23 CO 0.09 0.55 -0.44 -1.28 0.02 0.00 0.00 177.57 176.51 3ioc h SER 24 N -0.36 -1.28 -0.83 0.57 0.87 -1.06 -1.28 113.55 110.19 3ioc h SER 24 Ca -0.04 0.13 0.19 0.00 -1.23 0.00 0.00 61.79 60.84 3ioc h SER 24 Cb 1.09 0.47 -0.15 0.00 -0.44 0.00 0.00 62.40 63.37 3ioc h SER 24 CO 0.07 -0.52 -0.03 -0.09 -0.53 0.00 0.00 176.83 175.72 3ioc h ARG 25 N -0.72 0.06 -0.07 2.24 2.43 -1.59 -1.30 114.38 115.43 3ioc h ARG 25 Ca 0.00 -0.00 -0.16 0.00 -0.81 0.00 0.00 59.98 59.01 3ioc h ARG 25 Cb 0.72 -0.01 0.01 0.00 -0.42 0.00 0.00 29.97 30.26 3ioc h ARG 25 CO -0.21 0.04 -0.57 0.00 -1.51 0.00 0.00 179.97 177.72 3ioc h ALA 26 N 1.80 0.17 -0.16 2.80 0.00 -1.28 -1.83 119.26 120.74 3ioc h ALA 26 Ca 0.45 -0.54 0.03 0.00 0.00 0.00 0.00 54.91 54.85 3ioc h ALA 26 Cb 0.81 0.01 -0.03 0.00 0.00 0.00 0.00 17.79 18.58 3ioc h ALA 26 CO -0.76 0.40 -0.02 -0.07 0.00 0.00 0.00 179.25 178.80 3ioc h LEU 27 N 0.09 -0.11 -0.60 0.00 3.38 -0.98 -2.31 115.31 114.77 3ioc h LEU 27 Ca -0.05 0.04 0.12 0.00 0.09 0.00 0.00 57.88 58.08 3ioc h LEU 27 Cb 1.23 0.08 -0.12 0.00 0.09 0.00 0.00 40.66 41.95 3ioc h LEU 27 CO 0.12 -0.03 -0.17 -0.09 0.09 0.00 0.00 178.44 178.35 3ioc h ARG 28 N 0.02 -0.02 -0.00 1.13 2.43 -1.04 0.27 114.38 117.17 3ioc h ARG 28 Ca 0.08 0.00 0.00 0.00 -0.81 0.00 0.00 59.98 59.25 3ioc h ARG 28 Cb 0.11 0.00 -0.00 0.00 -0.42 0.00 0.00 29.97 29.66 3ioc h ARG 28 CO -0.15 -0.01 0.07 -0.07 -1.51 0.00 0.00 179.97 178.30 3ioc h LEU 29 N -0.02 0.00 -1.83 3.80 3.38 -0.78 0.17 115.31 120.04 3ioc h LEU 29 Ca 0.29 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.26 3ioc h LEU 29 Cb 0.46 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.21 3ioc h LEU 29 CO -0.63 0.00 0.00 0.35 0.09 0.00 0.00 178.44 178.25 3ioc n THR 30 N -3.04 0.37 -0.23 0.22 -2.24 0.07 -4.97 114.28 104.47 3ioc n THR 30 Ca -0.03 -0.58 0.00 0.00 -2.27 0.00 0.00 64.05 61.17 3ioc n THR 30 Cb 0.13 0.75 0.00 0.00 -2.10 0.00 0.00 70.33 69.11 3ioc n THR 30 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 3ioc n GLY 31 N 1.35 0.74 3.75 3.38 0.00 0.61 -5.06 105.19 109.96 3ioc n GLY 31 Ca 0.18 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.80 3ioc n GLY 31 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 3ioc s ARG 32 N -0.77 4.75 -0.28 1.61 1.81 -1.16 -4.95 118.95 119.96 3ioc s ARG 32 Ca 0.00 1.61 -0.15 0.00 -1.72 0.00 0.00 55.73 55.48 3ioc s ARG 32 Cb 0.00 -3.26 -0.04 0.00 -0.45 0.00 0.00 34.95 31.21 3ioc s ARG 32 CO 0.00 0.36 0.36 1.03 -0.68 0.00 0.00 175.30 176.37 3ioc s ARG 33 N -1.12 3.98 -0.03 3.54 1.81 -0.94 -4.03 118.95 122.16 3ioc s ARG 33 Ca 0.43 -0.02 -0.30 0.00 -1.72 0.00 0.00 55.73 54.13 3ioc s ARG 33 Cb -0.28 -3.67 -0.03 0.00 -0.45 0.00 0.00 34.95 30.52 3ioc s ARG 33 CO 0.35 -0.29 1.02 0.08 -0.68 0.00 0.00 175.30 175.78 3ioc s VAL 34 N 2.05 4.75 -0.12 3.52 1.01 -1.26 -1.59 120.40 128.75 3ioc s VAL 34 Ca 0.14 1.98 0.01 0.00 0.00 0.00 0.00 61.98 64.11 3ioc s VAL 34 Cb -0.16 -4.27 -0.01 0.00 0.00 0.00 0.00 36.38 31.94 3ioc s VAL 34 CO 0.10 0.10 -0.16 -0.04 0.00 0.00 0.00 175.10 175.11 3ioc s MET 35 N 1.36 3.30 -0.07 2.72 1.00 -0.68 0.90 119.30 127.84 3ioc s MET 35 Ca 0.52 -0.73 0.01 0.00 0.00 0.00 0.00 55.69 55.49 3ioc s MET 35 Cb -0.21 -2.55 -0.03 0.00 0.00 0.00 0.00 34.83 32.04 3ioc s MET 35 CO 0.25 0.21 -0.10 -1.17 0.00 0.00 0.00 175.02 174.21 3ioc s LEU 36 N 0.34 3.00 -0.37 -0.03 2.96 -0.21 -0.55 118.68 123.81 3ioc s LEU 36 Ca -0.13 -0.11 0.03 0.00 -0.22 0.00 0.00 54.13 53.70 3ioc s LEU 36 Cb -0.16 -1.65 0.11 0.00 0.50 0.00 0.00 46.19 44.99 3ioc s LEU 36 CO 0.06 0.33 0.10 -0.69 -1.32 0.00 0.00 176.35 174.84 3ioc s VAL 37 N -0.62 2.49 -0.03 1.68 1.01 0.12 -1.63 120.40 123.41 3ioc s VAL 37 Ca 0.09 -2.41 -0.30 0.00 0.00 0.00 0.00 61.98 59.36 3ioc s VAL 37 Cb -0.11 -2.80 -0.05 0.00 0.00 0.00 0.00 36.38 33.42 3ioc s VAL 37 CO 0.02 -0.64 1.44 -2.84 0.00 0.00 0.00 175.10 173.08 3ioc s PRO 38 N 0.80 4.25 0.16 2.72 0.02 -1.26 -1.50 135.00 140.19 3ioc s PRO 38 Ca 0.11 1.98 -0.00 0.00 0.02 0.00 0.00 61.00 63.11 3ioc s PRO 38 Cb -0.20 -3.68 -0.04 0.00 0.02 0.00 0.00 34.50 30.59 3ioc s PRO 38 CO -0.07 -0.65 0.05 0.95 -0.33 0.00 0.00 177.00 176.95 3ioc s THR 39 N 2.90 0.29 -0.17 0.99 -4.23 -0.81 -4.93 115.64 109.67 3ioc s THR 39 Ca 0.65 -1.94 0.17 0.00 -1.18 0.00 0.00 61.69 59.38 3ioc s THR 39 Cb -0.31 -2.15 0.49 0.00 1.34 0.00 0.00 72.50 71.87 3ioc s THR 39 CO 0.25 -0.39 1.37 0.23 -0.54 0.00 0.00 174.62 175.54 3ioc n MET 40 N -0.18 2.62 0.00 3.99 2.81 -1.26 -2.49 117.12 122.62 3ioc n MET 40 Ca -0.05 -2.80 0.00 0.00 -1.81 0.00 0.00 57.70 53.04 3ioc n MET 40 Cb 0.64 -1.78 0.00 0.00 -0.71 0.00 0.00 33.22 31.36 3ioc n MET 40 CO 0.00 0.00 0.00 0.41 1.51 0.00 0.00 175.97 177.89 3ioc n GLY 41 N -0.68 -0.71 3.22 3.03 0.00 -1.26 -4.69 105.19 104.10 3ioc n GLY 41 Ca 0.20 -1.73 -0.09 0.00 0.00 0.00 0.00 46.02 44.40 3ioc n GLY 41 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3ioc n ALA 42 N -0.36 -2.52 -2.04 4.61 0.00 -1.26 -4.95 120.51 113.99 3ioc n ALA 42 Ca 0.00 0.00 -0.29 0.00 0.00 0.00 0.00 53.44 53.15 3ioc n ALA 42 Cb 0.00 -3.00 0.01 0.00 0.00 0.00 0.00 19.45 16.46 3ioc n ALA 42 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 177.50 176.99 3ioc s LEU 43 N -4.70 3.35 0.00 0.00 1.43 -1.26 -4.95 118.68 112.55 3ioc s LEU 43 Ca 0.18 1.14 0.00 0.00 -1.03 0.00 0.00 54.13 54.42 3ioc s LEU 43 Cb -0.03 -4.11 0.00 0.00 0.03 0.00 0.00 46.19 42.07 3ioc s LEU 43 CO 0.77 -0.82 0.00 0.00 0.23 0.00 0.00 176.35 176.52 3ioc n HIS 44 N -2.58 -0.61 -0.29 0.29 1.44 -1.26 -5.01 115.22 107.20 3ioc n HIS 44 Ca 0.04 0.00 0.11 0.00 -2.01 0.00 0.00 57.72 55.86 3ioc n HIS 44 Cb 0.55 0.00 0.26 0.00 0.12 0.00 0.00 29.99 30.92 3ioc n HIS 44 CO 0.00 0.00 0.00 0.93 -2.81 0.00 0.00 176.34 174.46 3ioc h GLU 45 N 0.00 0.18 -0.00 -1.40 4.39 -1.98 -0.30 114.58 115.47 3ioc h GLU 45 Ca 0.00 -0.01 0.03 0.00 0.34 0.00 0.00 59.36 59.72 3ioc h GLU 45 Cb 0.00 -0.04 -0.05 0.00 -0.10 0.00 0.00 28.75 28.56 3ioc h GLU 45 CO 0.00 0.12 -0.37 0.78 -1.16 0.00 0.00 179.01 178.38 3ioc h GLY 46 N 0.19 -0.65 0.72 -3.84 0.00 -1.92 0.79 103.07 98.35 3ioc h GLY 46 Ca 0.52 0.45 0.07 0.00 0.00 0.00 0.00 47.33 48.37 3ioc h GLY 46 CO -0.66 -0.24 0.65 0.45 0.00 0.00 0.00 176.54 176.74 3ioc h HIS 47 N -0.52 1.19 -0.11 5.60 3.86 -1.77 -2.80 115.15 120.59 3ioc h HIS 47 Ca 0.06 0.03 -0.09 0.00 -1.16 0.00 0.00 60.37 59.21 3ioc h HIS 47 Cb 0.61 -0.39 -0.01 0.00 1.06 0.00 0.00 27.41 28.68 3ioc h HIS 47 CO -0.39 0.60 -0.35 -0.07 0.86 0.00 0.00 177.93 178.59 3ioc h LEU 48 N 1.16 0.23 -0.85 2.43 3.38 0.21 0.72 115.31 122.59 3ioc h LEU 48 Ca 0.44 -0.08 0.00 0.00 0.09 0.00 0.00 57.88 58.32 3ioc h LEU 48 Cb 0.20 -0.06 0.00 0.00 0.09 0.00 0.00 40.66 40.89 3ioc h LEU 48 CO -0.18 0.57 0.00 0.00 0.09 0.00 0.00 178.44 178.92 3ioc h ALA 49 N 1.45 1.00 0.17 1.53 0.00 -0.19 -0.08 119.26 123.15 3ioc h ALA 49 Ca 0.02 0.00 -0.01 0.00 0.00 0.00 0.00 54.91 54.93 3ioc h ALA 49 Cb 0.71 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.50 3ioc h ALA 49 CO 0.05 0.00 -0.08 -0.07 0.00 0.00 0.00 179.25 179.15 3ioc h LEU 50 N 0.00 -0.20 -1.00 0.00 4.07 -0.80 -2.56 115.31 114.83 3ioc h LEU 50 Ca 0.00 -0.24 0.16 0.00 0.08 0.00 0.00 57.88 57.89 3ioc h LEU 50 Cb 0.67 0.05 -0.10 0.00 1.08 0.00 0.00 40.66 42.36 3ioc h LEU 50 CO 0.00 0.14 0.61 0.58 -1.08 0.00 0.00 178.44 178.69 3ioc h VAL 51 N -0.55 0.79 -0.06 1.22 2.07 -0.96 -1.67 116.25 117.09 3ioc h VAL 51 Ca -0.02 -0.29 -0.19 0.00 0.82 0.00 0.00 66.70 67.01 3ioc h VAL 51 Cb 0.42 -0.13 -0.00 0.00 -1.52 0.00 0.00 31.29 30.05 3ioc h VAL 51 CO 0.04 0.15 -0.79 0.03 0.02 0.00 0.00 177.57 177.03 3ioc h ARG 52 N 0.85 0.40 -0.52 1.57 -0.00 -0.85 -1.56 114.38 114.26 3ioc h ARG 52 Ca 0.54 -0.35 -0.12 0.00 -0.50 0.00 0.00 59.98 59.55 3ioc h ARG 52 Cb 0.73 0.08 -0.02 0.00 0.00 0.00 0.00 29.97 30.76 3ioc h ARG 52 CO -0.34 1.00 -0.15 0.00 0.00 0.00 0.00 179.97 180.49 3ioc h ALA 53 N 0.89 0.74 -0.03 0.04 0.00 -1.22 -0.79 119.26 118.89 3ioc h ALA 53 Ca -0.04 -0.37 -0.00 0.00 0.00 0.00 0.00 54.91 54.50 3ioc h ALA 53 Cb 1.38 -0.19 -0.00 0.00 0.00 0.00 0.00 17.79 18.98 3ioc h ALA 53 CO 0.13 0.67 0.02 0.00 0.00 0.00 0.00 179.25 180.08 3ioc h ALA 54 N 0.92 0.04 -0.93 0.00 0.00 -1.16 -2.98 119.26 115.15 3ioc h ALA 54 Ca 0.13 -0.02 0.14 0.00 0.00 0.00 0.00 54.91 55.16 3ioc h ALA 54 Cb 0.72 -0.01 -0.08 0.00 0.00 0.00 0.00 17.79 18.42 3ioc h ALA 54 CO 0.06 -0.44 0.59 -0.22 0.00 0.00 0.00 179.25 179.24 3ioc h LYS 55 N 0.01 0.76 -0.80 0.00 3.64 -1.08 -3.02 116.57 116.07 3ioc h LYS 55 Ca 0.01 -0.05 0.00 0.00 -1.27 0.00 0.00 60.65 59.35 3ioc h LYS 55 Cb 0.04 -0.17 0.00 0.00 -0.41 0.00 0.00 32.23 31.69 3ioc h LYS 55 CO -0.00 0.50 0.00 2.89 -2.27 0.00 0.00 179.45 180.57 3ioc n ARG 56 N -4.58 0.80 -3.50 1.90 1.85 -0.32 -4.64 116.66 108.17 3ioc n ARG 56 Ca 0.18 0.00 -0.38 0.00 -1.00 0.00 0.00 57.85 56.65 3ioc n ARG 56 Cb 0.44 -1.40 -0.10 0.00 -1.05 0.00 0.00 32.46 30.35 3ioc n ARG 56 CO 0.00 0.00 0.00 0.08 -0.01 0.00 0.00 177.63 177.70 3ioc s VAL 57 N -1.01 5.25 -0.48 8.89 1.01 -1.14 -5.02 120.40 127.90 3ioc s VAL 57 Ca 0.00 0.36 -0.36 0.00 0.00 0.00 0.00 61.98 61.98 3ioc s VAL 57 Cb 0.00 -3.61 -0.16 0.00 0.00 0.00 0.00 36.38 32.61 3ioc s VAL 57 CO 0.00 0.21 1.87 -2.65 0.00 0.00 0.00 175.10 174.54 3ioc n PRO 58 N 5.13 0.00 -0.57 2.72 -0.02 -1.26 -1.12 135.00 139.88 3ioc n PRO 58 Ca -0.11 0.00 0.00 0.00 -2.02 0.00 0.00 63.50 61.37 3ioc n PRO 58 Cb 0.51 -1.27 0.00 0.00 -0.02 0.00 0.00 33.50 32.73 3ioc n PRO 58 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 3ioc n GLY 59 N 6.21 0.73 3.65 -1.23 0.00 -1.26 -4.74 105.19 108.54 3ioc n GLY 59 Ca 0.48 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 46.09 3ioc n GLY 59 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 3ioc n SER 60 N 0.00 1.74 -4.28 1.61 3.41 -0.27 -2.21 113.62 113.62 3ioc n SER 60 Ca 0.00 1.06 -0.32 0.00 -0.26 0.00 0.00 58.87 59.34 3ioc n SER 60 Cb 0.00 -1.41 -0.16 0.00 -0.26 0.00 0.00 64.21 62.38 3ioc n SER 60 CO 0.00 0.00 0.00 0.54 -0.16 0.00 0.00 175.04 175.42 3ioc s VAL 61 N -1.25 2.51 -0.09 -3.33 0.11 -0.62 -4.81 120.40 112.91 3ioc s VAL 61 Ca 0.63 -0.85 -0.14 0.00 -2.93 0.00 0.00 61.98 58.68 3ioc s VAL 61 Cb -0.54 -2.01 -0.05 0.00 -1.53 0.00 0.00 36.38 32.25 3ioc s VAL 61 CO 0.57 0.54 0.35 -0.69 -3.33 0.00 0.00 175.10 172.54 3ioc s VAL 62 N 0.41 5.21 -0.20 2.04 1.01 -1.26 -1.68 120.40 125.93 3ioc s VAL 62 Ca -0.14 0.69 0.01 0.00 0.00 0.00 0.00 61.98 62.54 3ioc s VAL 62 Cb -0.17 -3.67 0.02 0.00 0.00 0.00 0.00 36.38 32.56 3ioc s VAL 62 CO 0.06 0.46 -0.17 -0.69 0.00 0.00 0.00 175.10 174.77 3ioc s VAL 63 N -0.17 2.20 -0.25 2.92 1.01 0.29 -2.34 120.40 124.05 3ioc s VAL 63 Ca 0.21 -1.00 -0.07 0.00 0.00 0.00 0.00 61.98 61.11 3ioc s VAL 63 Cb -0.15 -1.99 -0.02 0.00 0.00 0.00 0.00 36.38 34.22 3ioc s VAL 63 CO 0.08 0.44 0.06 -0.69 0.00 0.00 0.00 175.10 175.00 3ioc s VAL 64 N 1.28 4.20 0.26 2.92 1.01 0.69 0.13 120.40 130.88 3ioc s VAL 64 Ca 0.03 -0.23 -0.07 0.00 0.00 0.00 0.00 61.98 61.71 3ioc s VAL 64 Cb -0.14 -2.97 -0.06 0.00 0.00 0.00 0.00 36.38 33.21 3ioc s VAL 64 CO -0.11 0.34 0.55 -0.94 0.00 0.00 0.00 175.10 174.93 3ioc s SER 65 N 1.60 6.52 -0.06 3.32 1.04 -0.56 -0.10 113.70 125.46 3ioc s SER 65 Ca 0.06 0.81 -0.02 0.00 0.48 0.00 0.00 55.95 57.28 3ioc s SER 65 Cb -0.15 -2.18 0.03 0.00 0.10 0.00 0.00 66.02 63.82 3ioc s SER 65 CO 0.03 -0.14 0.04 -0.63 0.98 0.00 0.00 173.24 173.52 3ioc s ILE 66 N -1.96 0.06 -0.21 -1.02 1.09 0.28 -1.93 121.20 117.50 3ioc s ILE 66 Ca 0.45 0.28 -0.28 0.00 -1.10 0.00 0.00 60.65 60.00 3ioc s ILE 66 Cb -0.11 -0.31 0.13 0.00 -1.06 0.00 0.00 42.46 41.11 3ioc s ILE 66 CO 0.26 0.18 1.05 0.12 -0.10 0.00 0.00 174.94 176.45 3ioc s PHE 67 N 2.10 -0.36 -0.19 3.97 5.36 -1.04 -4.15 117.98 123.66 3ioc s PHE 67 Ca 0.05 0.72 -0.03 0.00 -0.96 0.00 0.00 56.93 56.71 3ioc s PHE 67 Cb -0.12 0.43 -0.01 0.00 -0.34 0.00 0.00 43.02 42.97 3ioc s PHE 67 CO -0.04 -0.28 -0.06 0.08 -1.46 0.00 0.00 175.22 173.47 3ioc s VAL 68 N -0.67 3.41 -0.05 3.12 1.01 -1.26 -4.15 120.40 121.82 3ioc s VAL 68 Ca 0.01 -0.50 0.00 0.00 0.00 0.00 0.00 61.98 61.49 3ioc s VAL 68 Cb -0.02 -2.52 0.05 0.00 0.00 0.00 0.00 36.38 33.89 3ioc s VAL 68 CO -0.02 0.45 1.63 0.59 0.00 0.00 0.00 175.10 177.75 3ioc n ASN 69 N 4.38 4.55 0.00 3.32 4.13 -1.26 -4.97 115.26 125.40 3ioc n ASN 69 Ca -0.18 -2.38 0.00 0.00 1.68 0.00 0.00 54.58 53.70 3ioc n ASN 69 Cb 0.51 -0.88 0.00 0.00 -1.54 0.00 0.00 39.78 37.88 3ioc n ASN 69 CO 0.00 0.00 0.00 -2.65 0.28 0.00 0.00 177.26 174.89 3ioc n PRO 70 N 0.90 0.00 0.00 3.52 -0.01 -1.26 -3.06 135.00 135.10 3ioc n PRO 70 Ca 0.06 0.00 0.00 0.00 -0.01 0.00 0.00 63.50 63.55 3ioc n PRO 70 Cb 0.55 0.00 0.00 0.00 -0.01 0.00 0.00 33.50 34.04 3ioc n PRO 70 CO 0.00 0.00 0.00 -1.33 -0.01 0.00 0.00 175.50 174.16 3ioc n MET 71 N 0.00 0.60 0.00 -0.52 2.81 -1.26 -5.13 117.12 113.61 3ioc n MET 71 Ca 0.00 0.00 0.00 0.00 -1.81 0.00 0.00 57.70 55.89 3ioc n MET 71 Cb 0.00 -1.27 0.00 0.00 -0.71 0.00 0.00 33.22 31.24 3ioc n MET 71 CO 0.00 0.00 0.00 0.00 1.51 0.00 0.00 175.97 177.48 3ioc n GLN 72 N 0.32 0.00 0.15 0.03 -0.00 -1.17 -3.70 117.38 113.01 3ioc n GLN 72 Ca 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 57.00 57.00 3ioc n GLN 72 Cb 0.18 0.00 0.00 0.00 -0.00 0.00 0.00 30.24 30.42 3ioc n GLN 72 CO 0.00 0.00 0.00 -2.30 0.00 0.00 0.00 177.06 174.76 3ioc n PRO 86 N -0.54 0.00 0.06 2.61 -0.02 -1.26 -4.61 135.00 131.24 3ioc n PRO 86 Ca 0.00 0.00 0.11 0.00 -2.02 0.00 0.00 63.50 61.59 3ioc n PRO 86 Cb 0.00 0.00 -0.05 0.00 -0.02 0.00 0.00 33.50 33.43 3ioc n PRO 86 CO 0.00 0.00 0.00 -0.25 1.98 0.00 0.00 175.50 177.23 3ioc n ASP 87 N -3.49 0.57 -0.33 2.55 8.00 -1.26 -2.99 116.55 119.61 3ioc n ASP 87 Ca 0.00 0.20 -0.09 0.00 0.71 0.00 0.00 54.79 55.61 3ioc n ASP 87 Cb 0.00 0.94 -0.08 0.00 -0.02 0.00 0.00 41.12 41.96 3ioc n ASP 87 CO 0.00 0.00 0.00 -0.67 -0.39 0.00 0.00 177.20 176.14 3ioc n ASP 88 N -2.51 -0.83 0.14 -2.24 2.03 -1.26 -0.08 116.55 111.80 3ioc n ASP 88 Ca -0.01 1.44 -0.14 0.00 0.52 0.00 0.00 54.79 56.60 3ioc n ASP 88 Cb 0.55 -0.20 -0.08 0.00 -0.72 0.00 0.00 41.12 40.67 3ioc n ASP 88 CO 0.00 0.00 0.00 0.44 -1.92 0.00 0.00 177.20 175.72 3ioc h ASP 89 N 0.00 -0.26 0.16 1.67 3.32 -1.96 -1.68 116.42 117.67 3ioc h ASP 89 Ca 0.13 -0.09 -0.03 0.00 0.02 0.00 0.00 57.03 57.06 3ioc h ASP 89 Cb 0.32 0.07 -0.00 0.00 0.22 0.00 0.00 39.33 39.93 3ioc h ASP 89 CO -0.74 -0.07 -0.14 -0.07 -1.72 0.00 0.00 179.24 176.51 3ioc h LEU 90 N -0.44 0.00 -0.32 1.55 3.38 -1.48 -1.65 115.31 116.34 3ioc h LEU 90 Ca -0.03 0.00 -0.18 0.00 0.09 0.00 0.00 57.88 57.76 3ioc h LEU 90 Cb 0.33 0.00 -0.00 0.00 0.09 0.00 0.00 40.66 41.08 3ioc h LEU 90 CO 0.05 0.14 -0.52 0.00 0.09 0.00 0.00 178.44 178.19 3ioc h ALA 91 N 1.86 0.49 -0.87 1.53 0.00 -0.22 0.54 119.26 122.59 3ioc h ALA 91 Ca -0.00 -0.51 0.11 0.00 0.00 0.00 0.00 54.91 54.51 3ioc h ALA 91 Cb 0.25 -0.08 -0.08 0.00 0.00 0.00 0.00 17.79 17.88 3ioc h ALA 91 CO 0.02 0.68 0.50 1.96 0.00 0.00 0.00 179.25 182.41 3ioc h GLN 92 N 0.68 0.77 -0.52 0.00 4.20 -0.40 -0.38 115.11 119.47 3ioc h GLN 92 Ca 0.02 -0.05 -0.07 0.00 0.06 0.00 0.00 58.65 58.61 3ioc h GLN 92 Cb 1.13 -0.17 -0.02 0.00 0.30 0.00 0.00 27.48 28.72 3ioc h GLN 92 CO 0.12 0.51 0.05 -0.07 -0.67 0.00 0.00 178.83 178.77 3ioc h LEU 93 N 0.80 0.86 0.76 1.46 3.38 -0.77 0.60 115.31 122.39 3ioc h LEU 93 Ca 0.43 -0.28 -0.04 0.00 0.09 0.00 0.00 57.88 58.09 3ioc h LEU 93 Cb 0.45 -0.23 0.01 0.00 0.09 0.00 0.00 40.66 40.98 3ioc h LEU 93 CO -0.28 0.93 -0.36 -0.09 0.09 0.00 0.00 178.44 178.73 3ioc h ARG 94 N 0.76 -0.98 -0.97 1.13 2.43 -0.67 -1.85 114.38 114.23 3ioc h ARG 94 Ca 0.15 0.07 0.41 0.00 -0.81 0.00 0.00 59.98 59.80 3ioc h ARG 94 Cb 0.45 0.22 -0.18 0.00 -0.42 0.00 0.00 29.97 30.05 3ioc h ARG 94 CO 0.02 -0.65 0.52 0.00 -1.51 0.00 0.00 179.97 178.34 3ioc n ALA 95 N -2.52 0.99 1.78 2.80 0.00 -0.17 1.00 120.51 124.39 3ioc n ALA 95 Ca -0.13 0.99 0.15 0.00 0.00 0.00 0.00 53.44 54.46 3ioc n ALA 95 Cb 0.40 -0.99 0.84 0.00 0.00 0.00 0.00 19.45 19.70 3ioc n ALA 95 CO 0.00 0.00 0.00 0.39 0.00 0.00 0.00 177.50 177.89 3ioc n GLU 96 N -5.21 0.93 -2.61 0.00 -0.58 0.20 -4.93 120.64 108.44 3ioc n GLU 96 Ca 0.37 -0.12 -0.11 0.00 -0.42 0.00 0.00 57.16 56.88 3ioc n GLU 96 Cb 1.25 -1.50 0.02 0.00 -0.57 0.00 0.00 31.44 30.64 3ioc n GLU 96 CO 0.00 0.00 0.00 0.41 -0.48 0.00 0.00 177.13 177.06 3ioc n GLY 97 N 1.10 0.09 3.79 0.62 0.00 0.28 -5.02 105.19 106.04 3ioc n GLY 97 Ca 0.21 -0.34 -0.38 0.00 0.00 0.00 0.00 46.02 45.50 3ioc n GLY 97 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 3ioc s VAL 98 N -2.83 4.95 -0.09 1.61 1.01 -0.76 -4.94 120.40 119.36 3ioc s VAL 98 Ca 0.14 1.08 0.21 0.00 0.00 0.00 0.00 61.98 63.41 3ioc s VAL 98 Cb -0.06 -3.84 -0.30 0.00 0.00 0.00 0.00 36.38 32.18 3ioc s VAL 98 CO 0.17 0.48 0.39 -0.62 0.00 0.00 0.00 175.10 175.53 3ioc n GLU 99 N 2.41 0.67 -3.93 2.72 1.02 -1.25 -4.01 120.64 118.27 3ioc n GLU 99 Ca -0.10 -0.12 -0.28 0.00 -0.02 0.00 0.00 57.16 56.65 3ioc n GLU 99 Cb 0.51 -1.54 -0.17 0.00 -0.02 0.00 0.00 31.44 30.23 3ioc n GLU 99 CO 0.00 0.00 0.00 0.42 1.18 0.00 0.00 177.13 178.73 3ioc s ILE 100 N -3.20 1.16 -0.01 -3.67 1.01 -0.99 0.26 121.20 115.75 3ioc s ILE 100 Ca -0.08 -0.38 -0.01 0.00 0.00 0.00 0.00 60.65 60.18 3ioc s ILE 100 Cb 0.11 -1.16 -0.04 0.00 0.01 0.00 0.00 42.46 41.39 3ioc s ILE 100 CO 0.88 0.38 0.08 0.00 0.00 0.00 0.00 174.94 176.28 3ioc s ALA 101 N 1.65 3.57 -0.15 9.38 0.00 -0.60 -0.23 121.76 135.39 3ioc s ALA 101 Ca 0.05 -0.86 -0.01 0.00 0.00 0.00 0.00 51.96 51.14 3ioc s ALA 101 Cb -0.13 -1.58 0.04 0.00 0.00 0.00 0.00 23.12 21.45 3ioc s ALA 101 CO -0.09 0.68 -0.05 0.12 0.00 0.00 0.00 175.76 176.42 3ioc s PHE 102 N -1.17 1.61 -0.43 0.00 5.36 0.86 -2.61 117.98 121.60 3ioc s PHE 102 Ca 0.22 -0.98 0.10 0.00 -0.96 0.00 0.00 56.93 55.31 3ioc s PHE 102 Cb -0.12 -1.28 0.35 0.00 -0.34 0.00 0.00 43.02 41.63 3ioc s PHE 102 CO 0.13 -0.59 0.79 0.25 -1.46 0.00 0.00 175.22 174.34 3ioc n THR 103 N 4.90 0.73 -1.82 0.12 -2.24 -0.20 -0.56 114.28 115.21 3ioc n THR 103 Ca -0.12 -4.86 -0.30 0.00 -2.27 0.00 0.00 64.05 56.51 3ioc n THR 103 Cb 0.48 -0.57 0.07 0.00 -2.10 0.00 0.00 70.33 68.22 3ioc n THR 103 CO 0.00 0.00 0.00 -2.16 -0.57 0.00 0.00 175.07 172.34 3ioc s PRO 104 N -2.72 2.32 0.46 -0.78 0.04 -1.26 -4.60 135.00 128.46 3ioc s PRO 104 Ca 0.42 0.35 0.01 0.00 0.04 0.00 0.00 61.00 61.83 3ioc s PRO 104 Cb 0.33 -1.97 0.00 0.00 0.04 0.00 0.00 34.50 32.90 3ioc s PRO 104 CO -0.10 -1.39 0.67 0.95 0.04 0.00 0.00 177.00 177.17 3ioc s THR 105 N -3.40 3.81 0.25 1.26 -4.23 -1.26 -4.88 115.64 107.19 3ioc s THR 105 Ca 0.60 -0.55 -0.04 0.00 -1.18 0.00 0.00 61.69 60.52 3ioc s THR 105 Cb -0.12 -3.40 0.22 0.00 1.34 0.00 0.00 72.50 70.54 3ioc s THR 105 CO 0.51 -0.28 1.83 0.74 -0.54 0.00 0.00 174.62 176.88 3ioc h THR 106 N 0.39 0.95 -0.30 3.99 2.02 -1.96 -1.55 112.91 116.45 3ioc h THR 106 Ca -0.45 -0.30 -0.07 0.00 0.77 0.00 0.00 66.41 66.36 3ioc h THR 106 Cb 1.26 0.00 -0.02 0.00 -1.74 0.00 0.00 68.15 67.65 3ioc h THR 106 CO 0.56 0.16 -0.10 0.00 0.37 0.00 0.00 175.52 176.51 3ioc h ALA 107 N 1.45 1.27 -0.33 6.16 0.00 -1.93 -0.46 119.26 125.42 3ioc h ALA 107 Ca 0.40 -0.26 -0.13 0.00 0.00 0.00 0.00 54.91 54.93 3ioc h ALA 107 Cb 0.32 -0.14 -0.01 0.00 0.00 0.00 0.00 17.79 17.96 3ioc h ALA 107 CO -0.23 0.48 -0.32 0.00 0.00 0.00 0.00 179.25 179.19 3ioc h ALA 108 N 1.43 0.83 0.00 0.00 0.00 -1.68 -2.06 119.26 117.79 3ioc h ALA 108 Ca 0.09 -0.41 -0.13 0.00 0.00 0.00 0.00 54.91 54.47 3ioc h ALA 108 Cb 0.46 -0.13 -0.02 0.00 0.00 0.00 0.00 17.79 18.10 3ioc h ALA 108 CO 0.03 0.64 -0.60 0.52 0.00 0.00 0.00 179.25 179.84 3ioc h MET 109 N 0.60 0.00 -0.94 0.00 2.86 -0.75 -3.38 114.93 113.31 3ioc h MET 109 Ca 0.07 0.00 -0.41 0.00 -2.06 0.00 0.00 59.70 57.30 3ioc h MET 109 Cb 0.83 0.00 -0.41 0.00 0.06 0.00 0.00 31.60 32.08 3ioc h MET 109 CO 0.07 0.60 -1.02 0.66 1.06 0.00 0.00 176.91 178.28 3ioc n TYR 110 N -3.49 1.92 0.11 -0.22 4.01 -0.25 -4.95 117.16 114.29 3ioc n TYR 110 Ca 0.00 -2.62 0.06 0.00 -0.16 0.00 0.00 57.90 55.18 3ioc n TYR 110 Cb 0.68 -0.27 0.30 0.00 -0.31 0.00 0.00 39.34 39.74 3ioc n TYR 110 CO 0.00 0.00 0.00 -0.35 -0.46 0.00 0.00 176.86 176.05 3ioc n PRO 111 N -0.38 0.07 -0.10 -0.72 -0.04 -0.78 0.45 135.00 133.50 3ioc n PRO 111 Ca 0.20 0.53 0.06 0.00 -0.04 0.00 0.00 63.50 64.25 3ioc n PRO 111 Cb 0.80 -1.90 0.08 0.00 -0.04 0.00 0.00 33.50 32.44 3ioc n PRO 111 CO 0.00 0.00 0.00 -0.25 -0.04 0.00 0.00 175.50 175.21 3ioc n ASP 112 N -1.89 1.84 0.00 3.54 8.00 -1.26 -5.10 116.55 121.68 3ioc n ASP 112 Ca -0.01 -2.56 0.00 0.00 0.71 0.00 0.00 54.79 52.93 3ioc n ASP 112 Cb 0.17 -0.27 0.00 0.00 -0.02 0.00 0.00 41.12 41.00 3ioc n ASP 112 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 3ioc n GLY 113 N -0.94 -2.37 3.67 0.44 0.00 0.17 -4.65 105.19 101.51 3ioc n GLY 113 Ca 0.09 -1.56 -0.42 0.00 0.00 0.00 0.00 46.02 44.12 3ioc n GLY 113 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 3ioc s LEU 114 N 0.00 4.27 0.00 0.99 1.43 -1.26 -4.85 118.68 119.27 3ioc s LEU 114 Ca 0.00 2.01 0.00 0.00 -1.03 0.00 0.00 54.13 55.11 3ioc s LEU 114 Cb 0.00 -3.54 0.00 0.00 0.03 0.00 0.00 46.19 42.68 3ioc s LEU 114 CO 0.00 -0.80 0.00 -1.14 0.23 0.00 0.00 176.35 174.64 3ioc n ARG 115 N 6.37 0.00 -2.52 1.70 0.63 -1.26 -5.05 116.66 116.52 3ioc n ARG 115 Ca 0.15 0.00 -0.42 0.00 -0.92 0.00 0.00 57.85 56.66 3ioc n ARG 115 Cb 0.44 0.00 -0.03 0.00 0.45 0.00 0.00 32.46 33.32 3ioc n ARG 115 CO 0.00 0.00 0.00 0.99 -2.51 0.00 0.00 177.63 176.11 3ioc s THR 116 N 0.18 4.26 0.16 5.15 2.01 -1.26 -5.04 115.64 121.11 3ioc s THR 116 Ca 0.00 1.67 0.00 0.00 0.31 0.00 0.00 61.69 63.67 3ioc s THR 116 Cb 0.00 -4.07 -0.04 0.00 0.01 0.00 0.00 72.50 68.40 3ioc s THR 116 CO 0.00 0.16 0.05 0.42 -0.69 0.00 0.00 174.62 174.55 3ioc s THR 117 N 0.83 0.30 -0.01 -0.82 -4.23 -1.26 -5.10 115.64 105.36 3ioc s THR 117 Ca 0.55 -1.95 -0.21 0.00 -1.18 0.00 0.00 61.69 58.90 3ioc s THR 117 Cb -0.27 -2.15 -0.05 0.00 1.34 0.00 0.00 72.50 71.37 3ioc s THR 117 CO 0.30 -0.39 0.63 -0.69 -0.54 0.00 0.00 174.62 173.92 3ioc s VAL 118 N -3.92 4.90 -0.31 2.29 1.01 -1.26 -5.06 120.40 118.06 3ioc s VAL 118 Ca 0.26 1.32 -0.07 0.00 0.00 0.00 0.00 61.98 63.49 3ioc s VAL 118 Cb 0.07 -3.97 0.02 0.00 0.00 0.00 0.00 36.38 32.50 3ioc s VAL 118 CO 0.04 0.39 0.09 -1.58 0.00 0.00 0.00 175.10 174.04 3ioc s GLN 119 N -0.05 2.95 0.88 2.72 2.00 -1.26 -4.68 119.66 122.22 3ioc s GLN 119 Ca 0.33 -0.95 -0.12 0.00 -2.00 0.00 0.00 55.36 52.62 3ioc s GLN 119 Cb -0.18 -3.39 0.12 0.00 0.80 0.00 0.00 33.01 30.35 3ioc s GLN 119 CO 0.18 -0.51 1.09 -2.14 -0.50 0.00 0.00 175.29 173.42 3ioc s PRO 120 N 1.47 1.37 1.22 1.67 0.02 -1.26 -5.07 135.00 134.42 3ioc s PRO 120 Ca 0.01 0.78 -0.20 0.00 0.02 0.00 0.00 61.00 61.61 3ioc s PRO 120 Cb -0.18 -1.82 0.30 0.00 0.02 0.00 0.00 34.50 32.82 3ioc s PRO 120 CO 0.02 -2.16 1.14 0.20 -0.33 0.00 0.00 177.00 175.87 3ioc s GLY 121 N -3.50 1.61 0.39 0.52 0.00 -1.26 -4.87 107.32 100.21 3ioc s GLY 121 Ca 0.63 -1.10 0.25 0.00 0.00 0.00 0.00 44.72 44.50 3ioc s GLY 121 CO 0.56 -0.16 1.74 -2.55 0.00 0.00 0.00 173.10 172.69 3ioc h PRO 122 N -2.65 0.00 0.00 2.90 0.11 -2.04 -2.53 132.00 127.80 3ioc h PRO 122 Ca -0.43 0.00 -0.02 0.00 0.11 0.00 0.00 66.00 65.66 3ioc h PRO 122 Cb 1.28 0.00 -0.00 0.00 0.11 0.00 0.00 31.00 32.38 3ioc h PRO 122 CO 0.29 0.00 -0.11 1.25 -0.21 0.00 0.00 178.00 179.22 3ioc h LEU 123 N 0.00 0.00 -1.43 2.35 5.85 -1.97 -0.01 115.31 120.10 3ioc h LEU 123 Ca 0.00 0.00 0.00 0.00 0.84 0.00 0.00 57.88 58.72 3ioc h LEU 123 Cb 0.10 0.00 0.00 0.00 0.37 0.00 0.00 40.66 41.13 3ioc h LEU 123 CO 0.00 0.11 0.00 0.00 -0.34 0.00 0.00 178.44 178.21 3ioc h ALA 124 N 1.89 1.00 0.06 1.25 0.00 -1.78 -3.07 119.26 118.61 3ioc h ALA 124 Ca -0.00 0.00 -0.24 0.00 0.00 0.00 0.00 54.91 54.67 3ioc h ALA 124 Cb 0.37 0.00 -0.00 0.00 0.00 0.00 0.00 17.79 18.16 3ioc h ALA 124 CO 0.01 0.00 -1.08 0.00 0.00 0.00 0.00 179.25 178.18 3ioc h ALA 125 N 2.02 0.27 -2.38 0.00 0.00 -1.21 -3.36 119.26 114.60 3ioc h ALA 125 Ca 0.00 -0.82 -0.47 0.00 0.00 0.00 0.00 54.91 53.62 3ioc h ALA 125 Cb 0.49 -0.03 0.14 0.00 0.00 0.00 0.00 17.79 18.39 3ioc h ALA 125 CO 0.00 0.96 0.27 -1.21 0.00 0.00 0.00 179.25 179.26 3ioc s GLU 126 N -2.90 1.27 5.98 0.00 2.02 -1.16 -1.94 118.70 121.97 3ioc s GLU 126 Ca -0.04 0.64 0.00 0.00 0.02 0.00 0.00 54.97 55.59 3ioc s GLU 126 Cb 0.08 -1.83 0.00 0.00 0.10 0.00 0.00 34.13 32.49 3ioc s GLU 126 CO 0.86 -2.18 0.00 1.28 0.02 0.00 0.00 175.26 175.24 3ioc n LEU 127 N -3.82 0.00 0.23 1.80 4.77 -1.26 0.11 117.00 118.84 3ioc n LEU 127 Ca 0.07 0.00 0.16 0.00 -0.03 0.00 0.00 56.01 56.21 3ioc n LEU 127 Cb 0.56 0.00 0.69 0.00 -2.33 0.00 0.00 43.42 42.35 3ioc n LEU 127 CO 0.56 0.00 0.97 -0.33 -1.33 0.00 0.00 177.39 177.26 3ioc h GLU 128 N 0.00 0.00 -0.01 3.23 4.39 -1.92 -1.71 114.58 118.56 3ioc h GLU 128 Ca 0.00 0.00 0.00 0.00 0.34 0.00 0.00 59.36 59.70 3ioc h GLU 128 Cb 0.00 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 28.65 3ioc h GLU 128 CO 0.00 0.00 -0.00 0.41 -1.16 0.00 0.00 179.01 178.26 3ioc n GLY 129 N -0.21 -0.29 0.03 -3.84 0.00 0.31 -3.38 105.19 97.80 3ioc n GLY 129 Ca 0.00 -0.37 -0.01 0.00 0.00 0.00 0.00 46.02 45.64 3ioc n GLY 129 CO 0.00 0.00 0.00 -1.33 0.00 0.00 0.00 173.32 171.99 3ioc h GLY 130 N 4.90 -0.07 0.14 -0.02 0.00 -0.62 -3.17 103.07 104.22 3ioc h GLY 130 Ca 0.00 0.03 0.13 0.00 0.00 0.00 0.00 47.33 47.49 3ioc h GLY 130 CO 0.00 -0.03 0.20 -2.55 0.00 0.00 0.00 176.54 174.16 3ioc h PRO 131 N -0.08 0.32 -2.93 4.80 0.11 -1.76 -3.37 132.00 129.09 3ioc h PRO 131 Ca -0.01 -0.02 -0.62 0.00 0.11 0.00 0.00 66.00 65.46 3ioc h PRO 131 Cb 0.05 -0.07 -0.41 0.00 0.11 0.00 0.00 31.00 30.68 3ioc h PRO 131 CO 0.01 0.21 -0.53 0.54 -0.21 0.00 0.00 178.00 178.02 3ioc n ARG 132 N -5.09 2.05 0.32 1.05 1.74 -1.22 -4.96 116.66 110.56 3ioc n ARG 132 Ca 0.12 -4.53 0.21 0.00 -0.77 0.00 0.00 57.85 52.87 3ioc n ARG 132 Cb 0.37 -2.29 1.07 0.00 -1.02 0.00 0.00 32.46 30.58 3ioc n ARG 132 CO 0.00 0.00 0.00 -1.35 -1.52 0.00 0.00 177.63 174.76 3ioc h PRO 133 N 5.19 0.00 -0.24 5.56 0.11 -1.73 0.18 132.00 141.07 3ioc h PRO 133 Ca 0.16 0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.27 3ioc h PRO 133 Cb 0.74 0.00 0.00 0.00 0.11 0.00 0.00 31.00 31.85 3ioc h PRO 133 CO 0.76 0.00 0.00 0.25 -0.21 0.00 0.00 178.00 178.80 3ioc n THR 134 N -3.11 0.99 -0.13 -1.15 -2.24 -1.26 -4.81 114.28 102.56 3ioc n THR 134 Ca -0.02 -0.99 -0.08 0.00 -2.27 0.00 0.00 64.05 60.68 3ioc n THR 134 Cb 0.14 0.51 -0.00 0.00 -2.10 0.00 0.00 70.33 68.87 3ioc n THR 134 CO 0.00 0.00 0.00 -0.74 -0.57 0.00 0.00 175.07 173.76 3ioc h HIS 135 N 1.42 0.56 -0.02 4.78 6.17 -1.16 -3.00 115.15 123.89 3ioc h HIS 135 Ca 0.00 -0.01 -0.18 0.00 0.71 0.00 0.00 60.37 60.89 3ioc h HIS 135 Cb 0.66 -0.18 -0.01 0.00 2.52 0.00 0.00 27.41 30.40 3ioc h HIS 135 CO 0.16 0.43 -0.78 0.74 0.71 0.00 0.00 177.93 179.18 3ioc h PHE 136 N 0.52 0.28 -0.66 5.26 0.04 -1.86 0.10 116.94 120.62 3ioc h PHE 136 Ca 0.14 -0.14 0.09 0.00 2.80 0.00 0.00 57.97 60.86 3ioc h PHE 136 Cb 0.05 -0.04 -0.07 0.00 2.20 0.00 0.00 35.95 38.10 3ioc h PHE 136 CO -0.02 0.90 0.32 0.00 -0.60 0.00 0.00 178.31 178.90 3ioc h ALA 137 N 1.06 0.90 -0.41 2.45 0.00 -1.81 0.35 119.26 121.79 3ioc h ALA 137 Ca -0.03 0.05 -0.02 0.00 0.00 0.00 0.00 54.91 54.92 3ioc h ALA 137 Cb 1.37 -0.03 -0.02 0.00 0.00 0.00 0.00 17.79 19.11 3ioc h ALA 137 CO 0.12 -0.08 0.20 0.78 0.00 0.00 0.00 179.25 180.27 3ioc h GLY 138 N 0.56 0.64 0.95 0.00 0.00 -1.36 -1.03 103.07 102.83 3ioc h GLY 138 Ca 0.32 -0.32 -0.00 0.00 0.00 0.00 0.00 47.33 47.33 3ioc h GLY 138 CO -0.26 0.30 0.08 -2.08 0.00 0.00 0.00 176.54 174.58 3ioc h VAL 139 N 0.53 1.08 -0.36 4.60 2.07 0.40 -2.85 116.25 121.71 3ioc h VAL 139 Ca 0.14 -0.20 -0.17 0.00 0.82 0.00 0.00 66.70 67.29 3ioc h VAL 139 Cb 0.12 0.98 -0.00 0.00 -1.52 0.00 0.00 31.29 30.87 3ioc h VAL 139 CO -0.02 0.07 -0.43 -0.07 0.02 0.00 0.00 177.57 177.14 3ioc h LEU 140 N 0.13 1.00 -0.82 2.57 3.38 -0.29 -2.44 115.31 118.83 3ioc h LEU 140 Ca 0.05 -0.49 0.15 0.00 0.09 0.00 0.00 57.88 57.68 3ioc h LEU 140 Cb 0.05 -0.28 -0.10 0.00 0.09 0.00 0.00 40.66 40.42 3ioc h LEU 140 CO -0.01 1.28 0.40 0.74 0.09 0.00 0.00 178.44 180.94 3ioc h THR 141 N 0.73 0.70 0.07 0.22 2.02 -1.17 0.72 112.91 116.21 3ioc h THR 141 Ca 0.05 -0.19 -0.26 0.00 0.77 0.00 0.00 66.41 66.78 3ioc h THR 141 Cb 1.03 0.08 -0.01 0.00 -1.74 0.00 0.00 68.15 67.51 3ioc h THR 141 CO 0.10 0.10 -1.23 1.62 0.37 0.00 0.00 175.52 176.49 3ioc h VAL 142 N 0.57 1.49 -0.37 3.16 3.04 -1.33 -2.84 116.25 119.96 3ioc h VAL 142 Ca 0.45 -3.13 0.04 0.00 -1.01 0.00 0.00 66.70 63.05 3ioc h VAL 142 Cb 0.66 2.85 -0.04 0.00 -2.01 0.00 0.00 31.29 32.76 3ioc h VAL 142 CO -0.38 0.89 0.16 0.58 -1.01 0.00 0.00 177.57 177.81 3ioc h VAL 143 N 0.04 0.94 -0.38 1.51 2.07 -1.19 -0.48 116.25 118.76 3ioc h VAL 143 Ca -0.12 -0.11 0.08 0.00 0.82 0.00 0.00 66.70 67.37 3ioc h VAL 143 Cb 1.91 0.57 -0.08 0.00 -1.52 0.00 0.00 31.29 32.18 3ioc h VAL 143 CO 0.16 0.06 -0.12 0.25 0.02 0.00 0.00 177.57 177.95 3ioc h LEU 144 N 0.33 -0.42 -0.04 2.57 5.85 -0.82 -0.92 115.31 121.86 3ioc h LEU 144 Ca 0.16 0.12 0.03 0.00 0.84 0.00 0.00 57.88 59.04 3ioc h LEU 144 Cb 0.11 0.26 -0.04 0.00 0.37 0.00 0.00 40.66 41.36 3ioc h LEU 144 CO -0.14 -0.15 -0.17 0.11 -0.34 0.00 0.00 178.44 177.75 3ioc h LYS 145 N -0.03 -0.25 -0.51 1.25 1.57 -1.08 -0.03 116.57 117.50 3ioc h LYS 145 Ca 0.18 0.02 0.02 0.00 -1.87 0.00 0.00 60.65 59.00 3ioc h LYS 145 Cb 0.31 0.06 -0.03 0.00 0.08 0.00 0.00 32.23 32.65 3ioc h LYS 145 CO -0.41 -0.17 0.31 -0.07 -0.57 0.00 0.00 179.45 178.55 3ioc h LEU 146 N -0.26 0.51 -0.60 2.94 3.38 -0.76 0.22 115.31 120.74 3ioc h LEU 146 Ca 0.07 -0.00 0.12 0.00 0.09 0.00 0.00 57.88 58.16 3ioc h LEU 146 Cb 0.35 -0.11 -0.10 0.00 0.09 0.00 0.00 40.66 40.89 3ioc h LEU 146 CO -0.19 0.36 -0.02 -0.07 0.09 0.00 0.00 178.44 178.61 3ioc h LEU 147 N 0.62 -0.30 -0.68 1.67 3.38 -0.23 0.60 115.31 120.38 3ioc h LEU 147 Ca 0.20 0.15 -0.13 0.00 0.09 0.00 0.00 57.88 58.19 3ioc h LEU 147 Cb -0.00 0.27 -0.01 0.00 0.09 0.00 0.00 40.66 41.01 3ioc h LEU 147 CO -0.08 -0.12 -0.41 1.56 0.09 0.00 0.00 178.44 179.48 3ioc h GLN 148 N 0.10 0.55 -0.09 1.13 1.08 0.24 0.46 115.11 118.58 3ioc h GLN 148 Ca 0.31 -0.28 -0.04 0.00 -1.45 0.00 0.00 58.65 57.19 3ioc h GLN 148 Cb 0.49 0.01 -0.00 0.00 -0.05 0.00 0.00 27.48 27.93 3ioc h GLN 148 CO -0.52 0.86 -0.10 0.82 -0.95 0.00 0.00 178.83 178.93 3ioc h ILE 149 N 0.45 1.37 0.00 2.54 2.04 0.20 -3.36 117.51 120.75 3ioc h ILE 149 Ca 0.04 -1.29 -0.23 0.00 1.00 0.00 0.00 64.86 64.38 3ioc h ILE 149 Cb 0.90 2.02 -0.04 0.00 -0.74 0.00 0.00 36.82 38.96 3ioc h ILE 149 CO 0.08 0.36 -1.66 0.52 0.00 0.00 0.00 178.15 177.45 3ioc n VAL 150 N -4.65 1.31 -3.74 1.67 0.31 0.13 -3.93 118.33 109.43 3ioc n VAL 150 Ca -0.07 -0.74 -0.27 0.00 -0.01 0.00 0.00 64.34 63.25 3ioc n VAL 150 Cb 0.33 -0.78 0.01 0.00 -0.91 0.00 0.00 33.84 32.50 3ioc n VAL 150 CO 0.00 0.00 0.00 0.54 -1.32 0.00 0.00 176.83 176.05 3ioc n ARG 151 N -2.90 -1.17 -2.01 5.55 1.74 0.16 -4.71 116.66 113.32 3ioc n ARG 151 Ca -0.15 0.66 -0.29 0.00 -0.77 0.00 0.00 57.85 57.30 3ioc n ARG 151 Cb 0.94 -3.12 0.06 0.00 -1.02 0.00 0.00 32.46 29.32 3ioc n ARG 151 CO 0.00 0.00 0.00 -1.25 -1.52 0.00 0.00 177.63 174.86 3ioc s PRO 152 N -5.40 2.45 -0.01 5.56 0.04 -1.26 -4.92 135.00 131.45 3ioc s PRO 152 Ca 0.19 0.16 -0.19 0.00 0.04 0.00 0.00 61.00 61.20 3ioc s PRO 152 Cb -0.09 -2.05 -0.32 0.00 0.04 0.00 0.00 34.50 32.08 3ioc s PRO 152 CO 0.89 -1.22 0.96 -0.44 0.04 0.00 0.00 177.00 177.22 3ioc h ASP 153 N -0.72 0.63 -4.30 6.66 3.32 0.17 -3.44 116.42 118.74 3ioc h ASP 153 Ca -0.45 -0.92 -0.51 0.00 0.02 0.00 0.00 57.03 55.16 3ioc h ASP 153 Cb 1.29 -0.20 -0.24 0.00 0.22 0.00 0.00 39.33 40.40 3ioc h ASP 153 CO 0.64 1.51 -0.81 -0.13 -1.72 0.00 0.00 179.24 178.72 3ioc s ARG 154 N -2.57 1.10 0.01 3.56 0.52 -1.18 -1.36 118.95 119.04 3ioc s ARG 154 Ca -0.12 -0.96 0.05 0.00 -0.52 0.00 0.00 55.73 54.19 3ioc s ARG 154 Cb 0.02 -1.21 -0.02 0.00 0.52 0.00 0.00 34.95 34.27 3ioc s ARG 154 CO 0.88 0.29 -0.16 0.54 0.02 0.00 0.00 175.30 176.87 3ioc s VAL 155 N -0.99 1.28 -0.12 3.52 0.11 0.20 -1.04 120.40 123.35 3ioc s VAL 155 Ca 0.04 -0.87 0.02 0.00 -2.93 0.00 0.00 61.98 58.24 3ioc s VAL 155 Cb -0.09 -1.10 -0.00 0.00 -1.53 0.00 0.00 36.38 33.66 3ioc s VAL 155 CO 0.02 0.22 -0.19 -0.36 -3.33 0.00 0.00 175.10 171.46 3ioc s PHE 156 N -0.59 2.68 0.04 1.54 0.40 -0.65 0.12 117.98 121.53 3ioc s PHE 156 Ca 0.05 -0.98 0.02 0.00 -0.60 0.00 0.00 56.93 55.42 3ioc s PHE 156 Cb -0.07 -1.79 -0.02 0.00 0.51 0.00 0.00 43.02 41.64 3ioc s PHE 156 CO 0.00 -0.40 -0.07 -0.06 0.70 0.00 0.00 175.22 175.39 3ioc s PHE 157 N 0.49 0.66 0.30 0.36 0.08 -0.54 -4.34 117.98 114.99 3ioc s PHE 157 Ca -0.13 -0.53 -0.21 0.00 0.12 0.00 0.00 56.93 56.18 3ioc s PHE 157 Cb -0.17 -0.39 -0.09 0.00 -0.57 0.00 0.00 43.02 41.80 3ioc s PHE 157 CO 0.05 -0.10 0.84 0.20 -0.10 0.00 0.00 175.22 176.11 3ioc s GLY 158 N -1.65 2.60 0.30 4.36 0.00 -1.26 0.14 107.32 111.80 3ioc s GLY 158 Ca -0.09 0.31 0.26 0.00 0.00 0.00 0.00 44.72 45.19 3ioc s GLY 158 CO -0.00 0.66 1.76 0.83 0.00 0.00 0.00 173.10 176.35 3ioc h GLU 159 N 2.93 0.00 -0.85 2.90 5.08 -1.69 -3.07 114.58 119.88 3ioc h GLU 159 Ca -0.48 0.00 0.18 0.00 -1.00 0.00 0.00 59.36 58.06 3ioc h GLU 159 Cb 1.19 0.00 -0.16 0.00 0.50 0.00 0.00 28.75 30.28 3ioc h GLU 159 CO 0.64 0.00 -0.16 -0.22 -1.00 0.00 0.00 179.01 178.27 3ioc h LYS 160 N 0.00 0.01 -2.89 2.33 3.64 -1.92 -0.63 116.57 117.12 3ioc h LYS 160 Ca 0.00 -0.00 -0.79 0.00 -1.27 0.00 0.00 60.65 58.59 3ioc h LYS 160 Cb 0.56 -0.00 -0.30 0.00 -0.41 0.00 0.00 32.23 32.08 3ioc h LYS 160 CO 0.00 0.01 0.62 -0.25 -2.27 0.00 0.00 179.45 177.56 3ioc n ASP 161 N -5.52 6.09 -0.29 4.20 8.00 -1.16 -4.59 116.55 123.28 3ioc n ASP 161 Ca 0.14 -3.39 -0.05 0.00 0.71 0.00 0.00 54.79 52.19 3ioc n ASP 161 Cb 0.47 -1.21 0.07 0.00 -0.02 0.00 0.00 41.12 40.42 3ioc n ASP 161 CO 0.00 0.00 0.00 0.22 -0.39 0.00 0.00 177.20 177.03 3ioc h TYR 162 N 5.39 1.08 -0.64 1.24 3.20 -1.30 -2.43 116.97 123.51 3ioc h TYR 162 Ca 0.20 -0.03 -0.07 0.00 3.14 0.00 0.00 58.73 61.97 3ioc h TYR 162 Cb 0.64 -0.34 -0.03 0.00 1.54 0.00 0.00 36.73 38.54 3ioc h TYR 162 CO 0.97 0.76 0.13 0.37 -1.64 0.00 0.00 178.16 178.74 3ioc h GLN 163 N 1.08 1.05 -0.19 1.82 4.15 -1.91 -1.61 115.11 119.50 3ioc h GLN 163 Ca 0.27 -0.27 0.05 0.00 0.77 0.00 0.00 58.65 59.48 3ioc h GLN 163 Cb 0.04 -0.13 -0.07 0.00 0.21 0.00 0.00 27.48 27.53 3ioc h GLN 163 CO -0.04 0.96 -0.39 0.37 -1.93 0.00 0.00 178.83 177.80 3ioc h GLN 164 N 0.97 -0.41 -0.26 1.69 4.15 -1.94 -1.09 115.11 118.22 3ioc h GLN 164 Ca 0.20 0.03 -0.03 0.00 0.77 0.00 0.00 58.65 59.62 3ioc h GLN 164 Cb 0.41 0.09 -0.01 0.00 0.21 0.00 0.00 27.48 28.17 3ioc h GLN 164 CO 0.01 -0.27 0.04 1.25 -1.93 0.00 0.00 178.83 177.93 3ioc h LEU 165 N -0.43 0.34 -0.51 -2.39 5.85 -1.07 -0.71 115.31 116.40 3ioc h LEU 165 Ca 0.10 -0.04 -0.16 0.00 0.84 0.00 0.00 57.88 58.61 3ioc h LEU 165 Cb 0.59 -0.09 -0.01 0.00 0.37 0.00 0.00 40.66 41.53 3ioc h LEU 165 CO -0.42 0.37 -0.57 0.58 -0.34 0.00 0.00 178.44 178.06 3ioc h VAL 166 N 0.37 1.33 -0.22 1.05 2.07 -0.77 -2.21 116.25 117.87 3ioc h VAL 166 Ca 0.09 -1.83 -0.11 0.00 0.82 0.00 0.00 66.70 65.67 3ioc h VAL 166 Cb 0.18 1.81 -0.00 0.00 -1.52 0.00 0.00 31.29 31.76 3ioc h VAL 166 CO -0.00 0.57 -0.29 -0.07 0.02 0.00 0.00 177.57 177.80 3ioc h LEU 167 N 0.41 0.63 -0.58 2.57 3.38 -0.27 -2.11 115.31 119.35 3ioc h LEU 167 Ca 0.00 -0.50 0.11 0.00 0.09 0.00 0.00 57.88 57.58 3ioc h LEU 167 Cb 1.11 -0.18 -0.09 0.00 0.09 0.00 0.00 40.66 41.60 3ioc h LEU 167 CO 0.11 1.01 0.10 0.40 0.09 0.00 0.00 178.44 180.15 3ioc h ILE 168 N 0.27 0.63 -0.74 1.22 1.08 -1.17 0.32 117.51 119.12 3ioc h ILE 168 Ca 0.03 -0.08 0.16 0.00 -0.39 0.00 0.00 64.86 64.58 3ioc h ILE 168 Cb 0.86 0.38 -0.05 0.00 -3.07 0.00 0.00 36.82 34.95 3ioc h ILE 168 CO 0.07 0.04 0.50 0.03 -0.69 0.00 0.00 178.15 178.10 3ioc h ARG 169 N 0.23 0.32 0.07 2.37 3.08 -1.31 -1.26 114.38 117.88 3ioc h ARG 169 Ca 0.30 -0.02 -0.15 0.00 0.07 0.00 0.00 59.98 60.18 3ioc h ARG 169 Cb 0.45 -0.07 0.02 0.00 0.08 0.00 0.00 29.97 30.45 3ioc h ARG 169 CO -0.41 0.21 -0.64 1.96 -1.07 0.00 0.00 179.97 180.02 3ioc h GLN 170 N 0.32 0.30 -0.96 0.04 4.20 -0.11 -1.50 115.11 117.41 3ioc h GLN 170 Ca 0.36 -0.43 0.27 0.00 0.06 0.00 0.00 58.65 58.91 3ioc h GLN 170 Cb 0.95 0.15 -0.17 0.00 0.30 0.00 0.00 27.48 28.70 3ioc h GLN 170 CO -0.10 1.15 0.08 1.25 -0.67 0.00 0.00 178.83 180.54 3ioc h LEU 171 N -0.34 -0.37 -0.13 1.46 5.85 -0.27 0.24 115.31 121.74 3ioc h LEU 171 Ca -0.10 0.26 -0.23 0.00 0.84 0.00 0.00 57.88 58.65 3ioc h LEU 171 Cb 1.44 0.44 0.00 0.00 0.37 0.00 0.00 40.66 42.92 3ioc h LEU 171 CO 0.12 -0.32 -0.98 0.58 -0.34 0.00 0.00 178.44 177.50 3ioc h VAL 172 N 0.04 1.40 0.03 1.05 2.07 -1.01 -1.67 116.25 118.16 3ioc h VAL 172 Ca 0.59 -2.48 -0.15 0.00 0.82 0.00 0.00 66.70 65.48 3ioc h VAL 172 Cb 1.23 2.46 0.01 0.00 -1.52 0.00 0.00 31.29 33.48 3ioc h VAL 172 CO -0.87 0.74 -0.62 0.00 0.02 0.00 0.00 177.57 176.84 3ioc h ALA 173 N 0.69 0.03 0.00 1.67 0.00 -0.84 -1.70 119.26 119.11 3ioc h ALA 173 Ca -0.09 -0.59 -0.09 0.00 0.00 0.00 0.00 54.91 54.14 3ioc h ALA 173 Cb 1.62 0.05 -0.01 0.00 0.00 0.00 0.00 17.79 19.45 3ioc h ALA 173 CO 0.17 0.34 -0.43 -0.44 0.00 0.00 0.00 179.25 178.89 3ioc h ASP 174 N -0.19 0.00 -0.02 0.00 3.32 -0.50 -2.68 116.42 116.35 3ioc h ASP 174 Ca -0.09 0.00 0.00 0.00 0.02 0.00 0.00 57.03 56.96 3ioc h ASP 174 Cb 1.36 0.00 0.00 0.00 0.22 0.00 0.00 39.33 40.91 3ioc h ASP 174 CO 0.12 0.43 -0.14 0.49 -1.72 0.00 0.00 179.24 178.42 3ioc n PHE 175 N -3.74 0.00 -2.61 4.55 3.72 -0.63 -4.96 117.46 113.79 3ioc n PHE 175 Ca -0.01 0.00 -0.14 0.00 -0.05 0.00 0.00 57.45 57.25 3ioc n PHE 175 Cb 0.50 0.00 0.01 0.00 -0.94 0.00 0.00 39.48 39.05 3ioc n PHE 175 CO 0.00 0.00 0.00 0.09 -0.05 0.00 0.00 176.76 176.80 3ioc n ASN 176 N 0.82 -4.42 -4.76 4.37 4.13 -0.88 -4.95 115.26 109.57 3ioc n ASN 176 Ca 0.11 -0.14 -0.36 0.00 1.68 0.00 0.00 54.58 55.87 3ioc n ASN 176 Cb 0.51 -3.38 0.02 0.00 -1.54 0.00 0.00 39.78 35.39 3ioc n ASN 176 CO 0.00 0.00 0.00 -0.76 0.28 0.00 0.00 177.26 176.78 3ioc s LEU 177 N -4.31 3.77 -0.01 3.41 1.43 -0.70 -4.94 118.68 117.34 3ioc s LEU 177 Ca 0.14 2.39 0.01 0.00 -1.03 0.00 0.00 54.13 55.64 3ioc s LEU 177 Cb -0.06 -4.48 0.06 0.00 0.03 0.00 0.00 46.19 41.73 3ioc s LEU 177 CO 0.17 -1.39 0.64 -0.67 0.23 0.00 0.00 176.35 175.33 3ioc n ASP 178 N -1.24 1.21 -4.17 2.29 -0.08 -1.26 -4.89 116.55 108.41 3ioc n ASP 178 Ca 0.12 -2.06 -0.22 0.00 -1.51 0.00 0.00 54.79 51.12 3ioc n ASP 178 Cb 0.49 -0.46 -0.14 0.00 2.34 0.00 0.00 41.12 43.35 3ioc n ASP 178 CO 0.00 0.00 0.00 0.54 0.12 0.00 0.00 177.20 177.86 3ioc s VAL 179 N -1.21 1.24 -0.15 5.18 0.11 -1.26 -4.90 120.40 119.41 3ioc s VAL 179 Ca 0.04 -1.01 -0.19 0.00 -2.93 0.00 0.00 61.98 57.88 3ioc s VAL 179 Cb 0.03 -1.11 -0.04 0.00 -1.53 0.00 0.00 36.38 33.74 3ioc s VAL 179 CO 0.01 0.08 0.53 0.00 -3.33 0.00 0.00 175.10 172.39 3ioc s ALA 180 N -0.79 3.49 -0.19 1.54 0.00 -0.46 -4.95 121.76 120.39 3ioc s ALA 180 Ca 0.03 -0.23 -0.20 0.00 0.00 0.00 0.00 51.96 51.56 3ioc s ALA 180 Cb -0.08 -2.77 -0.03 0.00 0.00 0.00 0.00 23.12 20.25 3ioc s ALA 180 CO 0.01 -0.21 0.61 0.08 0.00 0.00 0.00 175.76 176.25 3ioc s VAL 181 N 1.10 5.04 -0.14 0.00 1.01 -1.26 -0.63 120.40 125.52 3ioc s VAL 181 Ca 0.27 1.16 0.01 0.00 0.00 0.00 0.00 61.98 63.41 3ioc s VAL 181 Cb -0.16 -3.93 -0.00 0.00 0.00 0.00 0.00 36.38 32.29 3ioc s VAL 181 CO 0.11 0.13 -0.16 -0.69 0.00 0.00 0.00 175.10 174.49 3ioc s VAL 182 N 1.80 2.64 -0.22 2.92 1.01 0.12 -4.95 120.40 123.71 3ioc s VAL 182 Ca 0.28 -0.79 -0.11 0.00 0.00 0.00 0.00 61.98 61.37 3ioc s VAL 182 Cb -0.16 -2.10 -0.05 0.00 0.00 0.00 0.00 36.38 34.07 3ioc s VAL 182 CO 0.11 0.52 0.16 -0.83 0.00 0.00 0.00 175.10 175.06 3ioc s GLY 183 N 0.69 2.01 -0.22 4.51 0.00 -1.26 -1.47 107.32 111.58 3ioc s GLY 183 Ca -0.08 -0.80 -0.06 0.00 0.00 0.00 0.00 44.72 43.79 3ioc s GLY 183 CO 0.02 0.33 0.02 0.14 0.00 0.00 0.00 173.10 173.61 3ioc s VAL 184 N 0.82 3.96 -0.21 1.40 1.01 0.37 -4.88 120.40 122.87 3ioc s VAL 184 Ca 0.08 -0.30 -0.40 0.00 0.00 0.00 0.00 61.98 61.36 3ioc s VAL 184 Cb -0.13 -2.82 -0.17 0.00 0.00 0.00 0.00 36.38 33.27 3ioc s VAL 184 CO 0.03 0.39 1.60 -2.65 0.00 0.00 0.00 175.10 174.47 3ioc n PRO 185 N 4.65 0.96 -1.65 2.72 -0.02 -1.26 -1.80 135.00 138.60 3ioc n PRO 185 Ca -0.17 0.35 -0.63 0.00 -2.02 0.00 0.00 63.50 61.03 3ioc n PRO 185 Cb 0.51 -2.00 -0.09 0.00 -0.02 0.00 0.00 33.50 31.91 3ioc n PRO 185 CO 0.00 0.00 0.00 2.41 1.98 0.00 0.00 175.50 179.89 3ioc n THR 186 N 3.90 0.03 -3.32 3.45 -1.04 -1.26 -4.86 114.28 111.17 3ioc n THR 186 Ca 0.25 -0.00 -0.38 0.00 -2.04 0.00 0.00 64.05 61.87 3ioc n THR 186 Cb 0.12 -0.41 -0.06 0.00 -1.82 0.00 0.00 70.33 68.16 3ioc n THR 186 CO 0.00 0.00 0.00 -0.69 -0.64 0.00 0.00 175.07 173.74 3ioc s VAL 187 N 1.88 5.02 0.12 12.58 1.01 -1.26 -5.04 120.40 134.71 3ioc s VAL 187 Ca 0.99 1.04 0.08 0.00 0.00 0.00 0.00 61.98 64.08 3ioc s VAL 187 Cb -1.36 -3.83 -0.04 0.00 0.00 0.00 0.00 36.38 31.16 3ioc s VAL 187 CO 0.70 0.44 -0.19 -0.13 0.00 0.00 0.00 175.10 175.92 3ioc s ARG 188 N -0.21 1.16 1.42 2.72 0.52 -1.26 -2.31 118.95 120.99 3ioc s ARG 188 Ca 0.27 -1.24 -0.23 0.00 -0.52 0.00 0.00 55.73 54.01 3ioc s ARG 188 Cb -0.17 -1.32 0.37 0.00 0.52 0.00 0.00 34.95 34.35 3ioc s ARG 188 CO 0.14 0.29 0.93 -1.21 0.02 0.00 0.00 175.30 175.47 3ioc s GLU 189 N -2.25 -2.94 0.45 3.54 0.41 0.15 -4.85 118.70 113.21 3ioc s GLU 189 Ca 0.09 0.17 0.21 0.00 -0.41 0.00 0.00 54.97 55.04 3ioc s GLU 189 Cb -0.08 -1.37 1.08 0.00 -1.78 0.00 0.00 34.13 31.97 3ioc s GLU 189 CO 0.05 -4.89 1.94 0.00 -0.49 0.00 0.00 175.26 171.87 3ioc h ALA 190 N -3.43 1.30 -0.00 5.21 0.00 -2.01 -2.47 119.26 117.85 3ioc h ALA 190 Ca -0.44 -0.21 0.00 0.00 0.00 0.00 0.00 54.91 54.26 3ioc h ALA 190 Cb 1.34 -0.04 0.00 0.00 0.00 0.00 0.00 17.79 19.09 3ioc h ALA 190 CO 0.29 0.29 -0.08 -0.40 0.00 0.00 0.00 179.25 179.35 3ioc n ASP 191 N -3.79 0.52 0.00 0.00 5.68 -1.26 -4.90 116.55 112.80 3ioc n ASP 191 Ca -0.02 -0.73 0.00 0.00 -0.50 0.00 0.00 54.79 53.54 3ioc n ASP 191 Cb 0.33 -0.06 0.00 0.00 -1.14 0.00 0.00 41.12 40.25 3ioc n ASP 191 CO 0.00 0.00 0.00 0.61 -1.33 0.00 0.00 177.20 176.48 3ioc n GLY 192 N 1.23 0.35 3.71 6.12 0.00 -0.93 -4.87 105.19 110.80 3ioc n GLY 192 Ca 0.16 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.75 3ioc n GLY 192 CO 0.00 0.00 0.00 -0.10 0.00 0.00 0.00 173.32 173.22 3ioc n LEU 193 N 0.00 3.76 -4.70 0.99 7.94 -1.26 -4.63 117.00 119.10 3ioc n LEU 193 Ca 0.00 1.07 -0.42 0.00 -1.11 0.00 0.00 56.01 55.55 3ioc n LEU 193 Cb 0.00 -1.54 -0.03 0.00 0.53 0.00 0.00 43.42 42.39 3ioc n LEU 193 CO 0.00 0.06 1.00 0.00 -1.11 0.00 0.00 177.39 177.34 3ioc s ALA 194 N 1.09 3.51 0.41 1.96 0.00 -1.26 0.30 121.76 127.76 3ioc s ALA 194 Ca 0.76 0.88 -0.26 0.00 0.00 0.00 0.00 51.96 53.35 3ioc s ALA 194 Cb -0.55 -3.52 -0.09 0.00 0.00 0.00 0.00 23.12 18.96 3ioc s ALA 194 CO 0.34 -0.66 1.32 -1.64 0.00 0.00 0.00 175.76 175.12 3ioc s MET 195 N 1.63 3.94 -0.25 0.00 1.00 -0.98 -4.87 119.30 119.77 3ioc s MET 195 Ca 0.61 2.19 -0.27 0.00 0.00 0.00 0.00 55.69 58.22 3ioc s MET 195 Cb -0.31 -2.75 0.15 0.00 0.00 0.00 0.00 34.83 31.92 3ioc s MET 195 CO 0.28 -0.53 1.14 0.45 0.00 0.00 0.00 175.02 176.36 3ioc s SER 196 N -0.70 -0.30 0.54 3.03 0.15 -1.26 -4.94 113.70 110.22 3ioc s SER 196 Ca 0.57 0.49 0.21 0.00 0.70 0.00 0.00 55.95 57.93 3ioc s SER 196 Cb -0.39 0.47 1.43 0.00 -1.71 0.00 0.00 66.02 65.82 3ioc s SER 196 CO 0.50 -0.16 2.15 0.77 1.20 0.00 0.00 173.24 177.70 3ioc h SER 197 N 3.31 0.00 0.59 5.45 4.64 -1.94 -2.25 113.55 123.35 3ioc h SER 197 Ca -0.23 0.00 -0.02 0.00 -0.47 0.00 0.00 61.79 61.07 3ioc h SER 197 Cb 1.18 0.00 -0.00 0.00 -0.31 0.00 0.00 62.40 63.26 3ioc h SER 197 CO 0.19 0.00 -0.10 0.03 -0.87 0.00 0.00 176.83 176.08 3ioc h ARG 198 N 0.00 0.00 0.00 4.77 3.08 -1.96 -2.90 114.38 117.37 3ioc h ARG 198 Ca 0.04 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.09 3ioc h ARG 198 Cb 0.16 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.21 3ioc h ARG 198 CO -0.00 0.10 0.05 -0.91 -1.07 0.00 0.00 179.97 178.13 3ioc h ASN 199 N 0.00 0.00 0.53 7.04 2.35 -1.77 -1.72 115.58 122.00 3ioc h ASN 199 Ca -0.00 0.00 -0.06 0.00 -0.55 0.00 0.00 56.30 55.69 3ioc h ASN 199 Cb 0.42 0.00 -0.01 0.00 0.05 0.00 0.00 38.32 38.78 3ioc h ASN 199 CO 0.01 0.00 -0.29 0.03 -1.65 0.00 0.00 177.43 175.53 3ioc h ARG 200 N 0.00 0.00 0.00 0.81 -0.00 -1.73 -3.21 114.38 110.25 3ioc h ARG 200 Ca 0.00 0.00 -0.08 0.00 -0.50 0.00 0.00 59.98 59.40 3ioc h ARG 200 Cb 0.10 0.00 -0.01 0.00 0.00 0.00 0.00 29.97 30.05 3ioc h ARG 200 CO 0.00 0.29 -0.37 1.88 0.00 0.00 0.00 179.97 181.77 3ioc h TYR 201 N 0.00 0.00 -2.88 3.04 0.05 -1.55 -3.46 116.97 112.17 3ioc h TYR 201 Ca -0.00 0.00 -0.53 0.00 0.05 0.00 0.00 58.73 58.25 3ioc h TYR 201 Cb 0.63 0.00 0.02 0.00 1.01 0.00 0.00 36.73 38.40 3ioc h TYR 201 CO 0.00 0.36 0.84 -0.51 -1.05 0.00 0.00 178.16 177.80 3ioc s LEU 202 N -6.39 4.36 1.28 3.88 1.43 -1.22 -5.02 118.68 117.01 3ioc s LEU 202 Ca 0.05 2.40 -0.17 0.00 -1.03 0.00 0.00 54.13 55.38 3ioc s LEU 202 Cb 0.07 -3.58 0.32 0.00 0.03 0.00 0.00 46.19 43.03 3ioc s LEU 202 CO 0.73 -0.75 0.90 -0.90 0.23 0.00 0.00 176.35 176.56 3ioc n ASP 203 N 4.51 -2.64 0.06 2.29 5.68 -1.26 -4.50 116.55 120.69 3ioc n ASP 203 Ca 0.13 -0.41 0.05 0.00 -0.50 0.00 0.00 54.79 54.06 3ioc n ASP 203 Cb 0.41 -1.15 0.47 0.00 -1.14 0.00 0.00 41.12 39.71 3ioc n ASP 203 CO 0.00 0.00 0.00 -0.65 -1.33 0.00 0.00 177.20 175.22 3ioc h PRO 204 N -3.00 0.41 -0.24 0.11 0.11 -1.98 0.20 132.00 127.60 3ioc h PRO 204 Ca -0.56 -0.03 -0.03 0.00 0.11 0.00 0.00 66.00 65.49 3ioc h PRO 204 Cb 1.33 -0.09 -0.01 0.00 0.11 0.00 0.00 31.00 32.34 3ioc h PRO 204 CO 0.41 0.29 0.04 0.00 -0.21 0.00 0.00 178.00 178.53 3ioc h ALA 205 N 1.79 0.32 -0.35 -0.75 0.00 -1.99 -1.78 119.26 116.50 3ioc h ALA 205 Ca 0.11 -0.18 -0.07 0.00 0.00 0.00 0.00 54.91 54.77 3ioc h ALA 205 Cb -0.03 -0.09 -0.01 0.00 0.00 0.00 0.00 17.79 17.66 3ioc h ALA 205 CO -0.02 0.01 -0.04 1.96 0.00 0.00 0.00 179.25 181.16 3ioc h GLN 206 N 0.21 0.64 -0.61 0.00 4.20 -1.87 -1.62 115.11 116.06 3ioc h GLN 206 Ca 0.07 -0.22 0.05 0.00 0.06 0.00 0.00 58.65 58.61 3ioc h GLN 206 Cb 0.33 -0.05 -0.05 0.00 0.30 0.00 0.00 27.48 28.01 3ioc h GLN 206 CO 0.01 0.78 0.33 -0.09 -0.67 0.00 0.00 178.83 179.18 3ioc h ARG 207 N 0.44 0.60 0.19 1.46 9.65 -0.52 0.24 114.38 126.44 3ioc h ARG 207 Ca 0.09 -0.04 0.01 0.00 -1.10 0.00 0.00 59.98 58.95 3ioc h ARG 207 Cb 0.51 -0.13 -0.02 0.00 -1.39 0.00 0.00 29.97 28.94 3ioc h ARG 207 CO 0.02 0.40 -0.21 0.00 2.80 0.00 0.00 179.97 182.98 3ioc h ALA 208 N 1.32 -0.42 -0.27 2.80 0.00 -1.24 -3.10 119.26 118.36 3ioc h ALA 208 Ca 0.27 -0.06 -0.06 0.00 0.00 0.00 0.00 54.91 55.07 3ioc h ALA 208 Cb 0.17 0.31 -0.02 0.00 0.00 0.00 0.00 17.79 18.26 3ioc h ALA 208 CO -0.18 -0.77 -0.09 0.00 0.00 0.00 0.00 179.25 178.21 3ioc h ALA 209 N 0.29 1.35 -0.94 0.00 0.00 -0.96 -2.99 119.26 116.00 3ioc h ALA 209 Ca 0.00 -0.24 0.27 0.00 0.00 0.00 0.00 54.91 54.95 3ioc h ALA 209 Cb 0.43 -0.13 -0.04 0.00 0.00 0.00 0.00 17.79 18.06 3ioc h ALA 209 CO -0.07 0.44 0.87 0.00 0.00 0.00 0.00 179.25 180.50 3ioc h ALA 210 N 1.50 2.80 0.00 0.00 0.00 -0.44 -0.97 119.26 122.15 3ioc h ALA 210 Ca 0.08 -0.03 -0.01 0.00 0.00 0.00 0.00 54.91 54.95 3ioc h ALA 210 Cb 0.42 0.07 -0.00 0.00 0.00 0.00 0.00 17.79 18.28 3ioc h ALA 210 CO 0.02 -1.36 -0.06 -0.24 0.00 0.00 0.00 179.25 177.61 3ioc h VAL 211 N 0.00 0.22 0.00 0.00 3.04 -1.59 -3.15 116.25 114.77 3ioc h VAL 211 Ca 0.45 -0.45 -0.01 0.00 -1.01 0.00 0.00 66.70 65.68 3ioc h VAL 211 Cb 2.19 1.36 -0.00 0.00 -2.01 0.00 0.00 31.29 32.84 3ioc h VAL 211 CO -0.00 0.06 -0.04 0.00 -1.01 0.00 0.00 177.57 176.57 3ioc h ALA 212 N 1.94 1.74 0.44 3.17 0.00 -1.41 -1.48 119.26 123.66 3ioc h ALA 212 Ca -0.00 -0.04 -0.02 0.00 0.00 0.00 0.00 54.91 54.85 3ioc h ALA 212 Cb 0.36 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.15 3ioc h ALA 212 CO 0.01 0.05 -0.21 -0.07 0.00 0.00 0.00 179.25 179.03 3ioc h LEU 213 N 0.00 -0.50 -0.53 0.00 4.07 -1.76 -0.46 115.31 116.13 3ioc h LEU 213 Ca -0.00 -0.07 -0.09 0.00 0.08 0.00 0.00 57.88 57.79 3ioc h LEU 213 Cb 0.08 0.13 -0.02 0.00 1.08 0.00 0.00 40.66 41.93 3ioc h LEU 213 CO 0.01 -0.21 -0.04 0.77 -1.08 0.00 0.00 178.44 177.88 3ioc h SER 214 N -0.77 0.95 -0.66 -0.43 4.64 -1.76 -2.49 113.55 113.02 3ioc h SER 214 Ca -0.06 -0.32 0.11 0.00 -0.47 0.00 0.00 61.79 61.05 3ioc h SER 214 Cb 0.54 -0.26 -0.08 0.00 -0.31 0.00 0.00 62.40 62.29 3ioc h SER 214 CO 0.10 1.05 0.25 0.00 -0.87 0.00 0.00 176.83 177.36 3ioc h ALA 215 N 0.94 0.88 0.00 5.18 0.00 -1.26 -0.16 119.26 124.84 3ioc h ALA 215 Ca 0.15 0.10 -0.08 0.00 0.00 0.00 0.00 54.91 55.07 3ioc h ALA 215 Cb 0.58 0.07 -0.01 0.00 0.00 0.00 0.00 17.79 18.43 3ioc h ALA 215 CO 0.03 -0.20 -0.38 0.00 0.00 0.00 0.00 179.25 178.70 3ioc h ALA 216 N 1.47 1.35 0.07 0.00 0.00 -0.85 -1.65 119.26 119.65 3ioc h ALA 216 Ca 0.35 -0.35 -0.23 0.00 0.00 0.00 0.00 54.91 54.67 3ioc h ALA 216 Cb 0.47 -0.06 0.02 0.00 0.00 0.00 0.00 17.79 18.22 3ioc h ALA 216 CO -0.35 0.48 -0.95 -0.07 0.00 0.00 0.00 179.25 178.36 3ioc h LEU 217 N 0.00 0.72 -0.23 0.00 3.38 -0.77 -1.81 115.31 116.59 3ioc h LEU 217 Ca -0.00 -0.81 -0.21 0.00 0.09 0.00 0.00 57.88 56.95 3ioc h LEU 217 Cb 0.69 -0.22 0.01 0.00 0.09 0.00 0.00 40.66 41.22 3ioc h LEU 217 CO 0.05 1.45 -0.71 0.71 0.09 0.00 0.00 178.44 180.03 3ioc h THR 218 N 0.07 1.29 -0.68 0.22 1.35 -1.03 -0.55 112.91 113.58 3ioc h THR 218 Ca -0.14 -1.93 0.11 0.00 -0.55 0.00 0.00 66.41 63.90 3ioc h THR 218 Cb 1.66 1.90 -0.08 0.00 -1.73 0.00 0.00 68.15 69.90 3ioc h THR 218 CO 0.18 0.61 0.28 0.00 -0.25 0.00 0.00 175.52 176.35 3ioc h ALA 219 N 0.65 0.92 -0.76 6.62 0.00 -1.37 -1.33 119.26 123.98 3ioc h ALA 219 Ca -0.03 0.08 -0.02 0.00 0.00 0.00 0.00 54.91 54.94 3ioc h ALA 219 Cb 1.33 0.04 -0.04 0.00 0.00 0.00 0.00 17.79 19.12 3ioc h ALA 219 CO 0.15 -0.15 0.39 0.00 0.00 0.00 0.00 179.25 179.63 3ioc h ALA 220 N 1.46 0.98 -0.17 0.00 0.00 -0.85 0.34 119.26 121.03 3ioc h ALA 220 Ca 0.35 -0.14 -0.14 0.00 0.00 0.00 0.00 54.91 54.99 3ioc h ALA 220 Cb 0.45 -0.30 -0.01 0.00 0.00 0.00 0.00 17.79 17.92 3ioc h ALA 220 CO -0.32 0.52 -0.48 0.00 0.00 0.00 0.00 179.25 178.97 3ioc h ALA 221 N 1.20 0.86 0.02 0.00 0.00 -0.21 -1.53 119.26 119.60 3ioc h ALA 221 Ca 0.27 -0.47 -0.26 0.00 0.00 0.00 0.00 54.91 54.44 3ioc h ALA 221 Cb 0.08 -0.09 -0.04 0.00 0.00 0.00 0.00 17.79 17.74 3ioc h ALA 221 CO -0.04 0.66 -1.43 0.45 0.00 0.00 0.00 179.25 178.89 3ioc h HIS 222 N 0.35 0.06 0.00 0.00 3.86 -0.90 -3.21 115.15 115.31 3ioc h HIS 222 Ca 0.02 -0.04 -0.00 0.00 -1.16 0.00 0.00 60.37 59.18 3ioc h HIS 222 Cb 0.97 -0.00 -0.00 0.00 1.06 0.00 0.00 27.41 29.44 3ioc h HIS 222 CO 0.03 1.06 -0.01 0.00 0.86 0.00 0.00 177.93 179.86 3ioc h ALA 223 N 0.93 1.07 0.00 2.45 0.00 -0.11 -3.32 119.26 120.27 3ioc h ALA 223 Ca -0.18 -0.01 -0.01 0.00 0.00 0.00 0.00 54.91 54.71 3ioc h ALA 223 Cb 1.92 -0.00 -0.00 0.00 0.00 0.00 0.00 17.79 19.71 3ioc h ALA 223 CO 0.11 0.02 -0.04 0.00 0.00 0.00 0.00 179.25 179.33 3ioc h ALA 224 N 1.99 1.04 0.00 0.00 0.00 -1.28 -2.11 119.26 118.89 3ioc h ALA 224 Ca -0.00 -0.04 0.00 0.00 0.00 0.00 0.00 54.91 54.87 3ioc h ALA 224 Cb 0.17 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 17.95 3ioc h ALA 224 CO 0.00 0.05 0.04 1.79 0.00 0.00 0.00 179.25 181.13 3ioc h THR 225 N 0.00 0.00 -0.35 0.00 1.35 -1.76 0.78 112.91 112.93 3ioc h THR 225 Ca -0.00 0.00 0.00 0.00 -0.55 0.00 0.00 66.41 65.86 3ioc h THR 225 Cb 0.41 0.70 0.00 0.00 -1.73 0.00 0.00 68.15 67.54 3ioc h THR 225 CO 0.01 0.00 0.00 0.00 -0.25 0.00 0.00 175.52 175.28 3ioc n ALA 226 N -1.90 2.45 0.00 6.62 0.00 -0.79 -4.31 120.51 122.58 3ioc n ALA 226 Ca -0.02 -0.66 0.00 0.00 0.00 0.00 0.00 53.44 52.75 3ioc n ALA 226 Cb 0.09 -0.99 0.00 0.00 0.00 0.00 0.00 19.45 18.55 3ioc n ALA 226 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3ioc n GLY 227 N 1.13 0.36 0.07 0.00 0.00 0.26 -4.62 105.19 102.39 3ioc n GLY 227 Ca 0.14 -2.05 -0.13 0.00 0.00 0.00 0.00 46.02 43.98 3ioc n GLY 227 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3ioc h ALA 228 N 0.00 0.03 0.00 4.61 0.00 -1.90 -2.57 119.26 119.43 3ioc h ALA 228 Ca 0.00 -0.27 -0.02 0.00 0.00 0.00 0.00 54.91 54.61 3ioc h ALA 228 Cb 0.00 -0.01 -0.00 0.00 0.00 0.00 0.00 17.79 17.78 3ioc h ALA 228 CO 0.00 -0.19 -0.11 0.37 0.00 0.00 0.00 179.25 179.32 3ioc h GLN 229 N -0.46 0.00 -0.12 0.00 5.75 -1.98 -2.09 115.11 116.22 3ioc h GLN 229 Ca 0.00 0.00 -0.05 0.00 -0.15 0.00 0.00 58.65 58.45 3ioc h GLN 229 Cb 0.55 0.00 -0.00 0.00 1.07 0.00 0.00 27.48 29.10 3ioc h GLN 229 CO 0.01 0.11 -0.12 0.00 -2.65 0.00 0.00 178.83 176.17 3ioc h ALA 230 N 1.89 0.18 -0.49 3.38 0.00 -1.75 -1.69 119.26 120.78 3ioc h ALA 230 Ca -0.00 -0.31 -0.05 0.00 0.00 0.00 0.00 54.91 54.55 3ioc h ALA 230 Cb 0.23 -0.04 -0.02 0.00 0.00 0.00 0.00 17.79 17.96 3ioc h ALA 230 CO 0.01 0.04 0.09 0.00 0.00 0.00 0.00 179.25 179.39 3ioc h ALA 231 N 0.59 1.25 -0.02 0.00 0.00 -1.07 0.38 119.26 120.40 3ioc h ALA 231 Ca 0.02 -0.20 -0.22 0.00 0.00 0.00 0.00 54.91 54.50 3ioc h ALA 231 Cb 0.65 -0.20 0.02 0.00 0.00 0.00 0.00 17.79 18.25 3ioc h ALA 231 CO 0.03 0.51 -0.85 -0.07 0.00 0.00 0.00 179.25 178.87 3ioc h LEU 232 N 0.72 0.78 -0.99 0.00 3.38 -1.37 -2.68 115.31 115.15 3ioc h LEU 232 Ca 0.16 -0.73 -0.06 0.00 0.09 0.00 0.00 57.88 57.34 3ioc h LEU 232 Cb 0.31 -0.24 -0.02 0.00 0.09 0.00 0.00 40.66 40.79 3ioc h LEU 232 CO 0.00 1.41 0.10 0.44 0.09 0.00 0.00 178.44 180.48 3ioc h ASP 233 N 0.24 0.78 -0.56 -0.43 5.19 -1.05 -0.69 116.42 119.90 3ioc h ASP 233 Ca -0.10 -0.15 -0.03 0.00 -0.62 0.00 0.00 57.03 56.13 3ioc h ASP 233 Cb 1.52 -0.21 -0.02 0.00 0.18 0.00 0.00 39.33 40.80 3ioc h ASP 233 CO 0.17 0.79 0.23 0.00 -3.12 0.00 0.00 179.24 177.31 3ioc h ALA 234 N 1.31 0.72 -0.31 3.45 0.00 -0.87 -0.21 119.26 123.35 3ioc h ALA 234 Ca 0.17 -0.15 -0.09 0.00 0.00 0.00 0.00 54.91 54.83 3ioc h ALA 234 Cb 0.33 -0.22 -0.01 0.00 0.00 0.00 0.00 17.79 17.90 3ioc h ALA 234 CO 0.00 0.33 -0.17 0.00 0.00 0.00 0.00 179.25 179.41 3ioc h ALA 235 N 1.08 0.44 -0.92 0.00 0.00 -1.25 -2.14 119.26 116.47 3ioc h ALA 235 Ca 0.19 -0.35 -0.01 0.00 0.00 0.00 0.00 54.91 54.74 3ioc h ALA 235 Cb 0.18 -0.10 -0.04 0.00 0.00 0.00 0.00 17.79 17.83 3ioc h ALA 235 CO -0.02 0.36 0.54 -0.09 0.00 0.00 0.00 179.25 180.05 3ioc h ARG 236 N 0.42 1.25 -0.23 0.00 9.65 -0.92 -2.07 114.38 122.49 3ioc h ARG 236 Ca 0.07 -0.12 -0.01 0.00 -1.10 0.00 0.00 59.98 58.82 3ioc h ARG 236 Cb 0.71 -0.26 -0.01 0.00 -1.39 0.00 0.00 29.97 29.02 3ioc h ARG 236 CO 0.05 0.89 0.12 0.00 2.80 0.00 0.00 179.97 183.82 3ioc h ALA 237 N 1.33 0.29 -0.96 2.80 0.00 -0.71 -0.48 119.26 121.52 3ioc h ALA 237 Ca 0.33 -0.07 0.07 0.00 0.00 0.00 0.00 54.91 55.24 3ioc h ALA 237 Cb -0.04 -0.09 -0.07 0.00 0.00 0.00 0.00 17.79 17.60 3ioc h ALA 237 CO -0.06 -0.17 0.61 0.28 0.00 0.00 0.00 179.25 179.92 3ioc h VAL 238 N 0.25 1.06 -0.10 0.00 2.07 -0.99 -2.17 116.25 116.36 3ioc h VAL 238 Ca 0.08 -0.38 -0.12 0.00 0.82 0.00 0.00 66.70 67.10 3ioc h VAL 238 Cb 0.09 -0.14 -0.01 0.00 -1.52 0.00 0.00 31.29 29.71 3ioc h VAL 238 CO -0.01 0.20 -0.49 -0.07 0.02 0.00 0.00 177.57 177.22 3ioc h LEU 239 N 1.10 0.29 -0.25 2.57 3.38 -1.06 -2.42 115.31 118.92 3ioc h LEU 239 Ca 0.42 -0.14 0.00 0.00 0.09 0.00 0.00 57.88 58.26 3ioc h LEU 239 Cb 0.20 -0.08 0.00 0.00 0.09 0.00 0.00 40.66 40.87 3ioc h LEU 239 CO -0.18 0.73 0.00 0.47 0.09 0.00 0.00 178.44 179.55 3ioc n ASP 240 N -3.97 0.29 -1.22 -0.43 8.00 -0.22 -2.42 116.55 116.58 3ioc n ASP 240 Ca -0.02 0.56 0.11 0.00 0.71 0.00 0.00 54.79 56.15 3ioc n ASP 240 Cb 0.54 -0.63 0.29 0.00 -0.02 0.00 0.00 41.12 41.30 3ioc n ASP 240 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 3ioc n ALA 241 N -1.62 2.40 -2.96 2.24 0.00 -0.91 -4.88 120.51 114.79 3ioc n ALA 241 Ca 0.03 -1.15 -0.33 0.00 0.00 0.00 0.00 53.44 51.99 3ioc n ALA 241 Cb 0.23 -0.94 -0.13 0.00 0.00 0.00 0.00 19.45 18.60 3ioc n ALA 241 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 3ioc s ALA 242 N -1.16 2.80 0.21 0.00 0.00 -1.02 -5.10 121.76 117.50 3ioc s ALA 242 Ca 0.44 -0.86 -0.19 0.00 0.00 0.00 0.00 51.96 51.35 3ioc s ALA 242 Cb 0.23 -1.34 -0.08 0.00 0.00 0.00 0.00 23.12 21.94 3ioc s ALA 242 CO 0.31 0.28 0.69 -1.25 0.00 0.00 0.00 175.76 175.79 3ioc s PRO 243 N 0.20 4.20 -1.12 0.00 0.04 -1.26 -4.18 135.00 132.88 3ioc s PRO 243 Ca -0.05 0.80 0.00 0.00 0.04 0.00 0.00 61.00 61.79 3ioc s PRO 243 Cb -0.15 -2.89 0.00 0.00 0.04 0.00 0.00 34.50 31.50 3ioc s PRO 243 CO 0.04 0.41 0.00 0.41 0.04 0.00 0.00 177.00 177.90 3ioc n GLY 244 N 0.75 0.48 2.99 0.56 0.00 -1.26 -4.87 105.19 103.84 3ioc n GLY 244 Ca -0.03 -0.43 -0.31 0.00 0.00 0.00 0.00 46.02 45.26 3ioc n GLY 244 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 3ioc s VAL 245 N -2.53 2.32 -0.39 1.61 1.01 -1.26 -4.37 120.40 116.80 3ioc s VAL 245 Ca 0.00 -2.61 -0.23 0.00 0.00 0.00 0.00 61.98 59.14 3ioc s VAL 245 Cb 0.00 -2.68 0.01 0.00 0.00 0.00 0.00 36.38 33.71 3ioc s VAL 245 CO 0.00 -0.67 0.76 0.00 0.00 0.00 0.00 175.10 175.20 3ioc s ALA 246 N 0.56 3.40 -0.19 5.51 0.00 -0.94 -4.91 121.76 125.18 3ioc s ALA 246 Ca 0.13 -0.78 -0.29 0.00 0.00 0.00 0.00 51.96 51.02 3ioc s ALA 246 Cb -0.21 -3.36 0.00 0.00 0.00 0.00 0.00 23.12 19.55 3ioc s ALA 246 CO -0.06 -1.58 1.07 0.08 0.00 0.00 0.00 175.76 175.26 3ioc s VAL 247 N 3.09 4.64 0.02 0.00 1.01 -1.26 0.01 120.40 127.91 3ioc s VAL 247 Ca 0.30 1.96 -0.18 0.00 0.00 0.00 0.00 61.98 64.05 3ioc s VAL 247 Cb -0.13 -4.26 -0.22 0.00 0.00 0.00 0.00 36.38 31.76 3ioc s VAL 247 CO 0.18 -0.13 1.14 0.44 0.00 0.00 0.00 175.10 176.73 3ioc h ASP 248 N 7.47 0.61 -4.96 3.32 3.32 0.22 -3.48 116.42 122.93 3ioc h ASP 248 Ca -0.23 -0.73 0.01 0.00 0.02 0.00 0.00 57.03 56.09 3ioc h ASP 248 Cb 1.09 -0.19 -0.12 0.00 0.22 0.00 0.00 39.33 40.33 3ioc h ASP 248 CO 0.95 1.26 0.25 -0.72 -1.72 0.00 0.00 179.24 179.26 3ioc s TYR 249 N -3.32 -0.49 -0.15 4.55 -0.85 -1.19 -4.98 117.35 110.93 3ioc s TYR 249 Ca -0.13 0.27 -0.04 0.00 -0.52 0.00 0.00 57.07 56.65 3ioc s TYR 249 Cb 0.04 0.57 0.05 0.00 0.38 0.00 0.00 41.96 43.01 3ioc s TYR 249 CO 0.84 -0.83 0.08 -1.17 -1.52 0.00 0.00 175.55 172.95 3ioc s LEU 250 N -2.73 0.39 -0.01 -3.49 2.96 -1.26 -1.85 118.68 112.69 3ioc s LEU 250 Ca 0.02 -0.52 0.00 0.00 -0.22 0.00 0.00 54.13 53.42 3ioc s LEU 250 Cb -0.01 -0.26 0.01 0.00 0.50 0.00 0.00 46.19 46.42 3ioc s LEU 250 CO -0.11 -0.33 -0.01 -1.61 -1.32 0.00 0.00 176.35 172.97 3ioc s GLU 251 N 2.12 0.12 -0.09 1.98 2.02 0.09 -4.97 118.70 119.96 3ioc s GLU 251 Ca 0.02 0.00 -0.01 0.00 0.02 0.00 0.00 54.97 55.00 3ioc s GLU 251 Cb -0.15 -0.19 -0.03 0.00 0.10 0.00 0.00 34.13 33.86 3ioc s GLU 251 CO -0.08 -0.02 -0.03 -1.17 0.02 0.00 0.00 175.26 173.98 3ioc s LEU 252 N 0.27 3.41 0.07 1.80 2.96 -1.26 -0.34 118.68 125.59 3ioc s LEU 252 Ca -0.02 0.05 -0.03 0.00 -0.22 0.00 0.00 54.13 53.91 3ioc s LEU 252 Cb -0.04 -1.77 -0.03 0.00 0.50 0.00 0.00 46.19 44.84 3ioc s LEU 252 CO -0.01 0.34 0.04 -0.13 -1.32 0.00 0.00 176.35 175.28 3ioc s ARG 253 N -0.66 0.71 1.40 1.98 1.81 0.18 -3.86 118.95 120.51 3ioc s ARG 253 Ca 0.10 -1.17 -0.23 0.00 -1.72 0.00 0.00 55.73 52.72 3ioc s ARG 253 Cb -0.12 0.25 0.36 0.00 -0.45 0.00 0.00 34.95 34.99 3ioc s ARG 253 CO 0.02 -0.17 0.96 0.16 -0.68 0.00 0.00 175.30 175.59 3ioc s ASP 254 N -2.92 -0.84 0.15 0.23 1.47 -0.12 -0.22 116.67 114.43 3ioc s ASP 254 Ca 0.08 0.77 0.26 0.00 1.18 0.00 0.00 52.55 54.85 3ioc s ASP 254 Cb 0.07 -1.08 0.78 0.00 -0.34 0.00 0.00 42.92 42.36 3ioc s ASP 254 CO -0.09 -5.22 1.71 2.30 0.68 0.00 0.00 175.17 174.55 3ioc n ILE 255 N -5.52 0.44 0.64 2.11 -5.35 -1.26 -1.40 119.36 109.01 3ioc n ILE 255 Ca 0.13 -0.23 0.10 0.00 -0.27 0.00 0.00 62.75 62.49 3ioc n ILE 255 Cb 0.60 -0.46 0.27 0.00 -1.74 0.00 0.00 39.64 38.31 3ioc n ILE 255 CO 0.00 0.00 0.00 0.61 -1.76 0.00 0.00 176.55 175.40 3ioc n GLY 256 N 1.35 1.14 1.52 3.28 0.00 -1.26 -4.96 105.19 106.26 3ioc n GLY 256 Ca 0.05 -0.57 0.00 0.00 0.00 0.00 0.00 46.02 45.50 3ioc n GLY 256 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 3ioc n LEU 257 N 0.94 0.00 -4.83 0.99 4.77 -0.49 -5.03 117.00 113.34 3ioc n LEU 257 Ca 0.18 0.00 -0.30 0.00 -0.03 0.00 0.00 56.01 55.85 3ioc n LEU 257 Cb 0.45 -0.38 0.22 0.00 -2.33 0.00 0.00 43.42 41.38 3ioc n LEU 257 CO 0.13 0.00 0.81 -0.83 -1.33 0.00 0.00 177.39 176.18 3ioc s GLY 258 N -2.39 1.75 0.07 -0.72 0.00 -1.26 -4.74 107.32 100.03 3ioc s GLY 258 Ca 0.00 -1.24 -0.14 0.00 0.00 0.00 0.00 44.72 43.34 3ioc s GLY 258 CO 0.00 -0.38 0.30 -1.05 0.00 0.00 0.00 173.10 171.97 3ioc n PRO 259 N -4.16 0.00 -1.69 2.90 -0.02 -1.26 -0.94 135.00 129.83 3ioc n PRO 259 Ca 0.16 0.00 -0.64 0.00 -2.02 0.00 0.00 63.50 61.00 3ioc n PRO 259 Cb 0.59 -0.51 -0.09 0.00 -0.02 0.00 0.00 33.50 33.47 3ioc n PRO 259 CO 0.00 0.00 0.00 -0.12 1.98 0.00 0.00 175.50 177.36 3ioc n MET 260 N 0.51 0.24 -2.15 -0.52 1.56 -1.25 -2.56 117.12 112.95 3ioc n MET 260 Ca 0.08 0.09 -0.27 0.00 -0.27 0.00 0.00 57.70 57.34 3ioc n MET 260 Cb 0.09 -1.62 0.07 0.00 2.15 0.00 0.00 33.22 33.91 3ioc n MET 260 CO 0.00 0.00 0.00 -1.25 -0.73 0.00 0.00 175.97 173.99 3ioc s PRO 261 N 2.41 2.22 -0.07 2.12 0.04 -1.26 -4.85 135.00 135.61 3ioc s PRO 261 Ca 1.00 -0.15 0.05 0.00 0.04 0.00 0.00 61.00 61.95 3ioc s PRO 261 Cb -1.36 -2.13 -0.24 0.00 0.04 0.00 0.00 34.50 30.80 3ioc s PRO 261 CO 0.73 -1.26 0.56 1.28 0.04 0.00 0.00 177.00 178.35 3ioc n LEU 262 N -2.98 1.55 -3.92 -3.56 4.77 -1.26 -4.97 117.00 106.62 3ioc n LEU 262 Ca 0.08 0.35 -0.10 0.00 -0.03 0.00 0.00 56.01 56.30 3ioc n LEU 262 Cb 0.60 -0.32 -0.01 0.00 -2.33 0.00 0.00 43.42 41.36 3ioc n LEU 262 CO 0.53 0.56 0.36 0.54 -1.33 0.00 0.00 177.39 178.05 3ioc s ASN 263 N -6.46 0.23 0.92 -1.43 4.22 -1.26 -4.88 114.94 106.28 3ioc s ASN 263 Ca -0.11 -1.15 0.00 0.00 -2.14 0.00 0.00 52.86 49.46 3ioc s ASN 263 Cb 0.07 0.74 0.00 0.00 1.28 0.00 0.00 41.25 43.35 3ioc s ASN 263 CO 0.81 -1.46 0.00 0.61 -2.04 0.00 0.00 177.10 175.02 3ioc n GLY 264 N -0.51 -0.29 3.59 0.45 0.00 -0.86 -4.74 105.19 102.83 3ioc n GLY 264 Ca -0.04 -0.96 -0.35 0.00 0.00 0.00 0.00 46.02 44.67 3ioc n GLY 264 CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76 3ioc n SER 265 N -2.71 0.05 -3.62 1.61 7.64 -1.26 -2.59 113.62 112.73 3ioc n SER 265 Ca 0.00 0.60 0.00 0.00 1.01 0.00 0.00 58.87 60.48 3ioc n SER 265 Cb 0.00 -1.38 0.02 0.00 -1.01 0.00 0.00 64.21 61.84 3ioc n SER 265 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 3ioc n GLY 266 N 1.11 0.37 3.09 0.23 0.00 0.26 -4.58 105.19 105.67 3ioc n GLY 266 Ca 0.12 -1.09 -0.13 0.00 0.00 0.00 0.00 46.02 44.92 3ioc n GLY 266 CO 0.00 0.00 0.00 -1.60 0.00 0.00 0.00 173.32 171.72 3ioc s ARG 267 N -2.03 0.25 -0.12 1.61 6.06 0.69 -1.23 118.95 124.18 3ioc s ARG 267 Ca 0.27 0.33 0.03 0.00 -2.50 0.00 0.00 55.73 53.86 3ioc s ARG 267 Cb -0.02 0.09 -0.00 0.00 0.06 0.00 0.00 34.95 35.08 3ioc s ARG 267 CO 0.02 -0.05 -0.21 -1.17 -2.50 0.00 0.00 175.30 171.39 3ioc s LEU 268 N 0.27 2.23 0.03 -0.88 2.96 -0.34 -0.65 118.68 122.30 3ioc s LEU 268 Ca -0.01 -0.53 0.07 0.00 -0.22 0.00 0.00 54.13 53.44 3ioc s LEU 268 Cb -0.03 -1.46 -0.02 0.00 0.50 0.00 0.00 46.19 45.18 3ioc s LEU 268 CO -0.01 0.14 -0.20 -0.76 -1.32 0.00 0.00 176.35 174.20 3ioc s LEU 269 N 0.49 2.15 0.05 -0.68 1.02 0.54 -0.95 118.68 121.29 3ioc s LEU 269 Ca -0.14 -0.49 0.01 0.00 0.02 0.00 0.00 54.13 53.53 3ioc s LEU 269 Cb -0.17 -0.96 -0.03 0.00 0.02 0.00 0.00 46.19 45.05 3ioc s LEU 269 CO 0.05 0.17 -0.06 0.54 0.02 0.00 0.00 176.35 177.07 3ioc s VAL 270 N -0.75 0.43 -0.07 -1.59 0.11 0.09 -0.73 120.40 117.89 3ioc s VAL 270 Ca 0.07 -1.31 -0.11 0.00 -2.93 0.00 0.00 61.98 57.70 3ioc s VAL 270 Cb -0.09 -0.87 0.02 0.00 -1.53 0.00 0.00 36.38 33.92 3ioc s VAL 270 CO 0.01 -0.59 0.27 0.00 -3.33 0.00 0.00 175.10 171.46 3ioc s ALA 271 N -2.20 -0.66 -0.19 1.54 0.00 -0.77 -2.43 121.76 117.05 3ioc s ALA 271 Ca -0.05 0.55 -0.23 0.00 0.00 0.00 0.00 51.96 52.23 3ioc s ALA 271 Cb -0.04 -0.25 0.06 0.00 0.00 0.00 0.00 23.12 22.89 3ioc s ALA 271 CO -0.02 -0.17 0.62 0.00 0.00 0.00 0.00 175.76 176.18 3ioc s ALA 272 N -0.42 -1.54 -0.27 0.00 0.00 -0.77 0.22 121.76 118.98 3ioc s ALA 272 Ca -0.05 1.61 -0.12 0.00 0.00 0.00 0.00 51.96 53.39 3ioc s ALA 272 Cb -0.04 -0.79 -0.05 0.00 0.00 0.00 0.00 23.12 22.25 3ioc s ALA 272 CO 0.01 -0.31 0.25 1.03 0.00 0.00 0.00 175.76 176.75 3ioc s ARG 273 N -0.01 3.99 -0.37 0.00 0.52 0.10 -0.89 118.95 122.30 3ioc s ARG 273 Ca -0.03 -0.18 -0.07 0.00 -0.52 0.00 0.00 55.73 54.93 3ioc s ARG 273 Cb -0.04 -3.64 0.05 0.00 0.52 0.00 0.00 34.95 31.85 3ioc s ARG 273 CO 0.03 -0.17 0.16 -0.51 0.02 0.00 0.00 175.30 174.82 3ioc s LEU 274 N 1.75 4.63 0.00 2.53 1.02 0.13 -2.21 118.68 126.53 3ioc s LEU 274 Ca 0.10 -1.27 0.00 0.00 0.02 0.00 0.00 54.13 52.98 3ioc s LEU 274 Cb -0.16 -1.91 0.00 0.00 0.02 0.00 0.00 46.19 44.14 3ioc s LEU 274 CO 0.10 -0.40 0.00 0.61 0.02 0.00 0.00 176.35 176.68 3ioc n GLY 275 N 4.85 3.32 1.03 -3.19 0.00 -1.26 -0.66 105.19 109.27 3ioc n GLY 275 Ca -0.11 0.12 0.09 0.00 0.00 0.00 0.00 46.02 46.12 3ioc n GLY 275 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 3ioc n THR 276 N 0.00 0.99 -3.68 2.61 -2.24 -1.26 -4.94 114.28 105.76 3ioc n THR 276 Ca 0.00 -0.99 -0.36 0.00 -2.27 0.00 0.00 64.05 60.43 3ioc n THR 276 Cb 0.00 0.51 -0.07 0.00 -2.10 0.00 0.00 70.33 68.67 3ioc n THR 276 CO 0.00 0.00 0.00 -0.89 -0.57 0.00 0.00 175.07 173.61 3ioc s THR 277 N -1.01 5.37 -0.26 4.28 2.01 0.16 -5.06 115.64 121.14 3ioc s THR 277 Ca 0.37 0.34 -0.08 0.00 0.31 0.00 0.00 61.69 62.63 3ioc s THR 277 Cb 0.19 -3.52 -0.03 0.00 0.01 0.00 0.00 72.50 69.15 3ioc s THR 277 CO 0.25 0.46 0.10 -0.60 -0.69 0.00 0.00 174.62 174.14 3ioc s ARG 278 N 0.10 3.65 0.14 4.92 3.52 -1.26 0.22 118.95 130.24 3ioc s ARG 278 Ca 0.13 -0.49 0.06 0.00 -0.13 0.00 0.00 55.73 55.30 3ioc s ARG 278 Cb -0.12 -3.41 -0.04 0.00 -1.56 0.00 0.00 34.95 29.82 3ioc s ARG 278 CO 0.02 -0.22 -0.01 -0.51 -0.81 0.00 0.00 175.30 173.77 3ioc s LEU 279 N 1.64 3.36 0.07 -0.88 1.43 -0.07 -4.97 118.68 119.26 3ioc s LEU 279 Ca 0.06 -0.30 0.01 0.00 -1.03 0.00 0.00 54.13 52.86 3ioc s LEU 279 Cb -0.15 -2.05 -0.04 0.00 0.03 0.00 0.00 46.19 43.97 3ioc s LEU 279 CO 0.05 0.13 -0.05 -0.76 0.23 0.00 0.00 176.35 175.95 3ioc s LEU 280 N -2.64 2.49 -0.20 1.79 1.43 -1.26 -1.84 118.68 118.45 3ioc s LEU 280 Ca 0.26 -0.98 -0.34 0.00 -1.03 0.00 0.00 54.13 52.04 3ioc s LEU 280 Cb -0.10 0.04 0.14 0.00 0.03 0.00 0.00 46.19 46.31 3ioc s LEU 280 CO 0.18 -0.51 1.21 -0.62 0.23 0.00 0.00 176.35 176.84 3ioc s ASP 281 N -2.93 -0.14 0.16 2.29 -1.08 -1.02 -4.87 116.67 109.08 3ioc s ASP 281 Ca 0.09 0.04 -0.20 0.00 -0.52 0.00 0.00 52.55 51.96 3ioc s ASP 281 Cb 0.06 0.14 0.05 0.00 -1.46 0.00 0.00 42.92 41.71 3ioc s ASP 281 CO -0.07 -0.21 0.53 0.54 0.52 0.00 0.00 175.17 176.48 3ioc s ASN 282 N -1.94 -0.40 -0.01 -0.34 2.20 -1.26 -0.73 114.94 112.47 3ioc s ASN 282 Ca 0.08 -0.22 -0.18 0.00 -0.94 0.00 0.00 52.86 51.61 3ioc s ASN 282 Cb -0.01 0.57 0.03 0.00 -2.00 0.00 0.00 41.25 39.84 3ioc s ASN 282 CO -0.05 -0.97 0.38 -0.51 -2.94 0.00 0.00 177.10 173.01 3ioc s ILE 283 N -3.80 0.05 0.49 0.54 2.07 -0.13 -4.98 121.20 115.44 3ioc s ILE 283 Ca 0.04 -0.41 -0.24 0.00 -1.41 0.00 0.00 60.65 58.63 3ioc s ILE 283 Cb -0.00 -0.74 -0.07 0.00 0.13 0.00 0.00 42.46 41.77 3ioc s ILE 283 CO -0.10 -0.23 1.37 0.00 -1.91 0.00 0.00 174.94 174.07 3ioc n ALA 284 N 1.06 1.70 -3.11 1.50 0.00 -1.26 -1.20 120.51 119.20 3ioc n ALA 284 Ca -0.21 0.20 -0.20 0.00 0.00 0.00 0.00 53.44 53.23 3ioc n ALA 284 Cb 0.57 -2.35 -0.16 0.00 0.00 0.00 0.00 19.45 17.51 3ioc n ALA 284 CO 0.00 0.00 0.00 0.42 0.00 0.00 0.00 177.50 177.92 3ioc s ILE 285 N -1.24 0.75 -0.35 0.00 -1.09 -0.36 -4.85 121.20 114.07 3ioc s ILE 285 Ca 0.65 -0.33 -0.08 0.00 -2.23 0.00 0.00 60.65 58.66 3ioc s ILE 285 Cb -0.45 -0.68 0.03 0.00 -1.58 0.00 0.00 42.46 39.79 3ioc s ILE 285 CO 0.54 0.24 0.14 -1.61 -1.23 0.00 0.00 174.94 173.03 3ioc s GLU 286 N 0.29 2.72 -0.58 2.79 0.41 -1.26 -0.58 118.70 122.48 3ioc s GLU 286 Ca -0.05 -1.13 -0.24 0.00 -0.41 0.00 0.00 54.97 53.14 3ioc s GLU 286 Cb -0.09 -3.56 0.04 0.00 -1.78 0.00 0.00 34.13 28.74 3ioc s GLU 286 CO 0.01 -0.67 0.99 0.42 -0.49 0.00 0.00 175.26 175.51 3ioc s ILE 287 N 1.47 4.30 0.00 -1.63 -1.09 -1.07 -4.34 121.20 118.84 3ioc s ILE 287 Ca -0.00 0.22 0.00 0.00 -2.23 0.00 0.00 60.65 58.64 3ioc s ILE 287 Cb -0.19 -4.60 0.00 0.00 -1.58 0.00 0.00 42.46 36.08 3ioc s ILE 287 CO 0.04 -1.24 0.00 0.61 -1.23 0.00 0.00 174.94 173.12