#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3ioc s ALA 5 N 0.00 3.68 -0.29 0.55 0.00 -1.26 -4.89 121.76 119.55 3ioc s ALA 5 Ca 0.00 -0.57 0.01 0.00 0.00 0.00 0.00 51.96 51.40 3ioc s ALA 5 Cb 0.00 -2.23 0.06 0.00 0.00 0.00 0.00 23.12 20.95 3ioc s ALA 5 CO 0.00 0.22 -0.04 0.12 0.00 0.00 0.00 175.76 176.07 3ioc s PHE 6 N 0.10 3.34 -0.53 0.00 5.36 -1.26 -4.97 117.98 120.02 3ioc s PHE 6 Ca 0.13 -2.25 -0.19 0.00 -0.96 0.00 0.00 56.93 53.66 3ioc s PHE 6 Cb -0.12 -2.18 0.07 0.00 -0.34 0.00 0.00 43.02 40.45 3ioc s PHE 6 CO 0.02 -0.87 0.66 -1.01 -1.46 0.00 0.00 175.22 172.56 3ioc s HIS 7 N 1.13 3.03 0.69 10.12 3.76 -1.26 -5.06 115.29 127.70 3ioc s HIS 7 Ca -0.04 -0.65 -0.14 0.00 -0.15 0.00 0.00 55.06 54.07 3ioc s HIS 7 Cb -0.20 -3.69 0.01 0.00 1.11 0.00 0.00 32.58 29.82 3ioc s HIS 7 CO -0.04 -1.12 1.12 -2.14 -0.85 0.00 0.00 174.74 171.71 3ioc s PRO 8 N 2.68 2.62 0.00 8.40 0.02 -1.26 -2.31 135.00 145.15 3ioc s PRO 8 Ca 0.14 1.40 0.00 0.00 0.02 0.00 0.00 61.00 62.57 3ioc s PRO 8 Cb -0.21 -1.93 0.00 0.00 0.02 0.00 0.00 34.50 32.39 3ioc s PRO 8 CO 0.10 -1.40 0.00 0.41 -0.33 0.00 0.00 177.00 175.79 3ioc n GLY 9 N -0.50 2.46 3.74 0.52 0.00 -1.26 -4.97 105.19 105.18 3ioc n GLY 9 Ca 0.11 0.00 -0.24 0.00 0.00 0.00 0.00 46.02 45.89 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 -0.00 2.28 -0.35 1.61 2.02 -0.98 -5.00 118.70 118.29 3ioc s GLU 10 Ca 0.00 -1.73 -0.22 0.00 0.02 0.00 0.00 54.97 53.04 3ioc s GLU 10 Cb 0.00 -2.07 0.00 0.00 0.10 0.00 0.00 34.13 32.17 3ioc s GLU 10 CO 0.00 -0.04 0.74 -1.17 0.02 0.00 0.00 175.26 174.81 3ioc s LEU 11 N -3.89 4.15 -0.21 1.80 2.96 -1.26 -4.15 118.68 118.08 3ioc s LEU 11 Ca 0.40 0.37 -0.06 0.00 -0.22 0.00 0.00 54.13 54.63 3ioc s LEU 11 Cb 0.01 -2.96 -0.03 0.00 0.50 0.00 0.00 46.19 43.71 3ioc s LEU 11 CO 0.23 -0.65 0.03 0.20 -1.32 0.00 0.00 176.35 174.83 3ioc s ASN 12 N 1.77 5.02 -0.25 3.68 0.01 0.23 -4.98 114.94 120.42 3ioc s ASN 12 Ca 0.29 -0.16 -0.05 0.00 -0.71 0.00 0.00 52.86 52.22 3ioc s ASN 12 Cb -0.14 -1.87 -0.00 0.00 0.41 0.00 0.00 41.25 39.65 3ioc s ASN 12 CO 0.15 0.05 0.02 -0.69 -1.51 0.00 0.00 177.10 175.13 3ioc s VAL 13 N 1.08 3.73 -0.00 1.60 1.01 -1.26 -0.75 120.40 125.80 3ioc s VAL 13 Ca 0.03 -0.54 0.06 0.00 0.00 0.00 0.00 61.98 61.53 3ioc s VAL 13 Cb -0.14 -2.81 -0.03 0.00 0.00 0.00 0.00 36.38 33.40 3ioc s VAL 13 CO 0.02 0.27 -0.20 -0.31 0.00 0.00 0.00 175.10 174.88 3ioc s TYR 14 N 1.50 2.51 -0.14 5.22 2.02 0.91 -4.97 117.35 124.40 3ioc s TYR 14 Ca 0.04 -0.29 0.08 0.00 -0.37 0.00 0.00 57.07 56.53 3ioc s TYR 14 Cb -0.16 -1.52 -0.14 0.00 -0.40 0.00 0.00 41.96 39.75 3ioc s TYR 14 CO 0.00 0.14 -0.02 0.43 -1.57 0.00 0.00 175.55 174.53 3ioc n SER 15 N 2.06 2.19 -4.70 2.29 7.64 -1.26 -0.18 113.62 121.65 3ioc n SER 15 Ca -0.16 -0.03 -0.41 0.00 1.01 0.00 0.00 58.87 59.28 3ioc n SER 15 Cb 0.52 0.44 -0.04 0.00 -1.01 0.00 0.00 64.21 64.11 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 -2.31 3.36 0.23 -0.43 0.00 -1.26 -3.89 121.76 117.47 3ioc s ALA 16 Ca -0.12 0.18 -0.09 0.00 0.00 0.00 0.00 51.96 51.94 3ioc s ALA 16 Cb 0.04 -3.14 0.37 0.00 0.00 0.00 0.00 23.12 20.40 3ioc s ALA 16 CO 0.47 -0.33 1.63 -1.35 0.00 0.00 0.00 175.76 176.18 3ioc h PRO 17 N 6.98 0.07 -0.72 0.00 0.11 -1.93 -1.85 132.00 134.66 3ioc h PRO 17 Ca -0.37 -0.00 0.14 0.00 0.11 0.00 0.00 66.00 65.88 3ioc h PRO 17 Cb 1.18 -0.02 -0.10 0.00 0.11 0.00 0.00 31.00 32.18 3ioc h PRO 17 CO 0.78 0.05 0.24 0.78 -0.21 0.00 0.00 178.00 179.64 3ioc h GLY 18 N 0.08 1.05 0.81 -0.55 0.00 -1.96 0.04 103.07 102.53 3ioc h GLY 18 Ca 0.38 -0.10 -0.04 0.00 0.00 0.00 0.00 47.33 47.57 3ioc h GLY 18 CO -0.66 -0.12 -0.38 -0.55 0.00 0.00 0.00 176.54 174.83 3ioc h ASP 19 N 0.37 -0.90 -1.00 0.19 3.32 -1.74 -0.85 116.42 115.80 3ioc h ASP 19 Ca 0.39 0.03 0.24 0.00 0.02 0.00 0.00 57.03 57.71 3ioc h ASP 19 Cb 0.61 0.23 -0.09 0.00 0.22 0.00 0.00 39.33 40.30 3ioc h ASP 19 CO -0.42 -0.54 0.64 1.62 -1.72 0.00 0.00 179.24 178.82 3ioc h VAL 20 N -1.28 0.59 -0.11 -1.35 3.04 -1.35 -0.75 116.25 115.04 3ioc h VAL 20 Ca -0.11 -0.16 -0.04 0.00 -1.01 0.00 0.00 66.70 65.38 3ioc h VAL 20 Cb 0.82 0.08 -0.00 0.00 -2.01 0.00 0.00 31.29 30.18 3ioc h VAL 20 CO 0.18 0.09 -0.07 0.00 -1.01 0.00 0.00 177.57 176.75 3ioc h ALA 21 N 1.63 0.16 0.02 3.17 0.00 -0.72 -0.75 119.26 122.76 3ioc h ALA 21 Ca 0.57 -0.27 0.01 0.00 0.00 0.00 0.00 54.91 55.22 3ioc h ALA 21 Cb 1.32 -0.04 -0.01 0.00 0.00 0.00 0.00 17.79 19.06 3ioc h ALA 21 CO -0.29 -0.03 -0.07 -0.44 0.00 0.00 0.00 179.25 178.41 3ioc h ASP 22 N -0.12 -0.19 0.84 0.00 3.32 -0.19 -1.19 116.42 118.89 3ioc h ASP 22 Ca 0.02 0.03 -0.04 0.00 0.02 0.00 0.00 57.03 57.06 3ioc h ASP 22 Cb 0.56 0.08 0.00 0.00 0.22 0.00 0.00 39.33 40.19 3ioc h ASP 22 CO 0.02 -0.10 -0.45 0.58 -1.72 0.00 0.00 179.24 177.57 3ioc h VAL 23 N -0.13 0.09 -0.99 -1.35 2.07 -1.19 0.25 116.25 115.01 3ioc h VAL 23 Ca 0.02 0.00 0.28 0.00 0.82 0.00 0.00 66.70 67.82 3ioc h VAL 23 Cb 0.15 0.09 -0.18 0.00 -1.52 0.00 0.00 31.29 29.83 3ioc h VAL 23 CO -0.06 0.00 0.05 -1.28 0.02 0.00 0.00 177.57 176.31 3ioc h SER 24 N -1.18 -0.44 0.05 0.57 0.87 -1.04 0.43 113.55 112.80 3ioc h SER 24 Ca -0.11 0.28 -0.00 0.00 -1.23 0.00 0.00 61.79 60.73 3ioc h SER 24 Cb 0.93 0.48 0.00 0.00 -0.44 0.00 0.00 62.40 63.37 3ioc h SER 24 CO 0.16 -0.36 -0.03 -0.09 -0.53 0.00 0.00 176.83 175.98 3ioc h ARG 25 N 0.01 -0.07 0.04 2.24 2.43 -0.92 -1.26 114.38 116.85 3ioc h ARG 25 Ca 0.61 0.00 0.02 0.00 -0.81 0.00 0.00 59.98 59.80 3ioc h ARG 25 Cb 1.29 0.02 -0.05 0.00 -0.42 0.00 0.00 29.97 30.81 3ioc h ARG 25 CO -0.92 0.31 -0.47 0.00 -1.51 0.00 0.00 179.97 177.38 3ioc h ALA 26 N 0.46 -0.92 -0.80 2.80 0.00 0.26 -2.22 119.26 118.84 3ioc h ALA 26 Ca -0.01 -0.09 0.18 0.00 0.00 0.00 0.00 54.91 55.00 3ioc h ALA 26 Cb 0.41 0.88 -0.12 0.00 0.00 0.00 0.00 17.79 18.96 3ioc h ALA 26 CO 0.01 -1.05 0.25 -0.07 0.00 0.00 0.00 179.25 178.39 3ioc h LEU 27 N -0.62 0.11 -1.21 0.00 3.38 -0.31 -0.71 115.31 115.95 3ioc h LEU 27 Ca 0.00 0.15 -0.08 0.00 0.09 0.00 0.00 57.88 58.05 3ioc h LEU 27 Cb 0.65 0.18 -0.01 0.00 0.09 0.00 0.00 40.66 41.57 3ioc h LEU 27 CO -0.29 -0.03 -0.39 -0.09 0.09 0.00 0.00 178.44 177.73 3ioc h ARG 28 N 0.31 0.00 -0.21 1.13 2.43 -0.71 -0.62 114.38 116.71 3ioc h ARG 28 Ca 0.47 0.00 0.01 0.00 -0.81 0.00 0.00 59.98 59.66 3ioc h ARG 28 Cb 0.85 0.00 -0.02 0.00 -0.42 0.00 0.00 29.97 30.38 3ioc h ARG 28 CO -0.53 0.39 0.10 -0.07 -1.51 0.00 0.00 179.97 178.35 3ioc h LEU 29 N 0.00 0.16 0.00 3.80 3.38 -0.56 -3.01 115.31 119.08 3ioc h LEU 29 Ca -0.00 0.01 0.00 0.00 0.09 0.00 0.00 57.88 57.98 3ioc h LEU 29 Cb 0.71 -0.02 0.00 0.00 0.09 0.00 0.00 40.66 41.44 3ioc h LEU 29 CO 0.05 0.12 0.00 0.35 0.09 0.00 0.00 178.44 179.05 3ioc n THR 30 N -5.00 0.12 -0.31 0.22 -2.24 -0.25 -4.74 114.28 102.09 3ioc n THR 30 Ca -0.03 0.03 0.00 0.00 -2.27 0.00 0.00 64.05 61.78 3ioc n THR 30 Cb 0.06 -0.99 0.00 0.00 -2.10 0.00 0.00 70.33 67.29 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 -0.88 0.83 3.89 3.38 0.00 -1.14 -5.05 105.19 106.21 3ioc n GLY 31 Ca 0.02 -0.15 -0.35 0.00 0.00 0.00 0.00 46.02 45.54 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 -0.66 3.50 -0.34 1.61 1.81 -1.18 -4.93 118.95 118.76 3ioc s ARG 32 Ca 0.00 -0.14 -0.10 0.00 -1.72 0.00 0.00 55.73 53.77 3ioc s ARG 32 Cb 0.00 -3.14 0.01 0.00 -0.45 0.00 0.00 34.95 31.37 3ioc s ARG 32 CO 0.00 0.72 0.17 1.03 -0.68 0.00 0.00 175.30 176.53 3ioc s ARG 33 N -1.46 3.05 0.04 3.54 0.52 -0.78 -4.20 118.95 119.66 3ioc s ARG 33 Ca 0.22 -0.92 -0.30 0.00 -0.52 0.00 0.00 55.73 54.21 3ioc s ARG 33 Cb -0.13 -3.62 -0.07 0.00 0.52 0.00 0.00 34.95 31.66 3ioc s ARG 33 CO 0.11 -0.56 1.53 0.08 0.02 0.00 0.00 175.30 176.48 3ioc s VAL 34 N 1.57 3.37 -0.16 3.52 1.01 -1.26 0.01 120.40 128.46 3ioc s VAL 34 Ca 0.03 0.79 0.01 0.00 0.00 0.00 0.00 61.98 62.81 3ioc s VAL 34 Cb -0.18 -3.51 0.02 0.00 0.00 0.00 0.00 36.38 32.71 3ioc s VAL 34 CO 0.06 -0.00 -0.20 -0.04 0.00 0.00 0.00 175.10 174.92 3ioc s MET 35 N 2.49 2.88 -0.18 2.72 1.00 -0.32 0.56 119.30 128.47 3ioc s MET 35 Ca 0.69 -0.79 -0.12 0.00 0.00 0.00 0.00 55.69 55.46 3ioc s MET 35 Cb -0.36 -2.44 -0.05 0.00 0.00 0.00 0.00 34.83 31.99 3ioc s MET 35 CO 0.29 -0.15 0.23 -1.17 0.00 0.00 0.00 175.02 174.23 3ioc s LEU 36 N 1.15 4.23 -0.37 -0.03 2.96 -0.45 -0.50 118.68 125.67 3ioc s LEU 36 Ca 0.01 0.40 0.04 0.00 -0.22 0.00 0.00 54.13 54.35 3ioc s LEU 36 Cb -0.14 -2.26 0.11 0.00 0.50 0.00 0.00 46.19 44.40 3ioc s LEU 36 CO -0.09 0.13 0.09 -0.69 -1.32 0.00 0.00 176.35 174.48 3ioc s VAL 37 N 0.41 2.38 -0.07 1.68 1.01 0.88 -1.53 120.40 125.16 3ioc s VAL 37 Ca 0.13 -2.51 -0.30 0.00 0.00 0.00 0.00 61.98 59.31 3ioc s VAL 37 Cb -0.12 -2.73 -0.02 0.00 0.00 0.00 0.00 36.38 33.51 3ioc s VAL 37 CO 0.02 -0.64 1.03 -2.84 0.00 0.00 0.00 175.10 172.67 3ioc s PRO 38 N 0.70 4.45 0.34 2.72 0.02 -1.26 -1.49 135.00 140.48 3ioc s PRO 38 Ca 0.12 1.44 0.03 0.00 0.02 0.00 0.00 61.00 62.62 3ioc s PRO 38 Cb -0.20 -3.52 -0.04 0.00 0.02 0.00 0.00 34.50 30.76 3ioc s PRO 38 CO -0.07 -0.26 0.11 0.95 -0.33 0.00 0.00 177.00 177.40 3ioc s THR 39 N 1.75 0.72 -0.20 0.99 -4.23 0.27 -4.88 115.64 110.07 3ioc s THR 39 Ca 0.50 -2.00 0.14 0.00 -1.18 0.00 0.00 61.69 59.15 3ioc s THR 39 Cb -0.20 -2.56 0.41 0.00 1.34 0.00 0.00 72.50 71.49 3ioc s THR 39 CO 0.21 0.00 1.26 0.23 -0.54 0.00 0.00 174.62 175.79 3ioc n MET 40 N -0.72 1.68 -0.17 3.99 2.81 -1.26 -1.86 117.12 121.59 3ioc n MET 40 Ca -0.03 -3.00 0.02 0.00 -1.81 0.00 0.00 57.70 52.88 3ioc n MET 40 Cb 0.66 -1.64 -0.01 0.00 -0.71 0.00 0.00 33.22 31.52 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 -1.16 -1.97 3.48 3.03 0.00 -1.26 -4.70 105.19 102.62 3ioc n GLY 41 Ca 0.21 -1.37 -0.20 0.00 0.00 0.00 0.00 46.02 44.66 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 -0.60 -2.27 -2.37 4.61 0.00 -1.26 -4.90 120.51 113.72 3ioc n ALA 42 Ca 0.00 -0.05 -0.42 0.00 0.00 0.00 0.00 53.44 52.97 3ioc n ALA 42 Cb 0.08 -3.75 -0.03 0.00 0.00 0.00 0.00 19.45 15.75 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 -6.13 4.37 0.38 0.00 1.43 -1.26 -4.87 118.68 112.59 3ioc s LEU 43 Ca 0.24 2.08 0.04 0.00 -1.03 0.00 0.00 54.13 55.45 3ioc s LEU 43 Cb -0.05 -3.58 -0.05 0.00 0.03 0.00 0.00 46.19 42.54 3ioc s LEU 43 CO 0.78 -0.52 0.06 -1.38 0.23 0.00 0.00 176.35 175.52 3ioc s HIS 44 N 1.14 2.00 0.52 0.29 -3.43 -1.26 -4.96 115.29 109.59 3ioc s HIS 44 Ca 0.60 -0.99 0.43 0.00 -0.80 0.00 0.00 55.06 54.30 3ioc s HIS 44 Cb -0.31 -1.37 1.63 0.00 -1.43 0.00 0.00 32.58 31.10 3ioc s HIS 44 CO 0.29 0.04 1.61 1.49 -2.00 0.00 0.00 174.74 176.16 3ioc h GLU 45 N 1.90 0.02 -0.29 -0.38 4.57 -1.99 0.36 114.58 118.77 3ioc h GLU 45 Ca -0.40 -0.00 -0.11 0.00 -1.18 0.00 0.00 59.36 57.67 3ioc h GLU 45 Cb 1.26 -0.00 -0.01 0.00 -0.16 0.00 0.00 28.75 29.83 3ioc h GLU 45 CO 0.69 0.01 -0.28 0.78 -1.18 0.00 0.00 179.01 179.04 3ioc h GLY 46 N 0.02 0.62 1.93 1.92 0.00 -1.91 -1.09 103.07 104.56 3ioc h GLY 46 Ca 0.87 -0.54 -0.09 0.00 0.00 0.00 0.00 47.33 47.58 3ioc h GLY 46 CO -0.15 0.49 -0.38 0.45 0.00 0.00 0.00 176.54 176.95 3ioc h HIS 47 N 0.50 0.09 -0.12 5.60 3.86 -0.66 -3.31 115.15 121.10 3ioc h HIS 47 Ca 0.07 -0.02 -0.14 0.00 -1.16 0.00 0.00 60.37 59.11 3ioc h HIS 47 Cb 0.74 -0.02 -0.01 0.00 1.06 0.00 0.00 27.41 29.18 3ioc h HIS 47 CO 0.03 0.45 -0.54 -0.07 0.86 0.00 0.00 177.93 178.66 3ioc h LEU 48 N 0.07 0.39 -0.55 2.43 3.38 -0.90 0.37 115.31 120.51 3ioc h LEU 48 Ca 0.01 -0.21 0.11 0.00 0.09 0.00 0.00 57.88 57.88 3ioc h LEU 48 Cb 0.71 -0.11 -0.11 0.00 0.09 0.00 0.00 40.66 41.24 3ioc h LEU 48 CO 0.05 0.86 -0.24 0.00 0.09 0.00 0.00 178.44 179.20 3ioc h ALA 49 N 1.15 0.14 -0.78 1.53 0.00 -1.53 0.19 119.26 119.96 3ioc h ALA 49 Ca 0.01 0.18 0.10 0.00 0.00 0.00 0.00 54.91 55.20 3ioc h ALA 49 Cb 1.04 0.60 -0.07 0.00 0.00 0.00 0.00 17.79 19.35 3ioc h ALA 49 CO 0.09 -0.57 0.42 -0.07 0.00 0.00 0.00 179.25 179.13 3ioc h LEU 50 N -0.11 0.58 0.10 0.00 3.38 -1.04 -0.87 115.31 117.35 3ioc h LEU 50 Ca 0.25 0.06 -0.01 0.00 0.09 0.00 0.00 57.88 58.27 3ioc h LEU 50 Cb 0.50 -0.05 0.00 0.00 0.09 0.00 0.00 40.66 41.20 3ioc h LEU 50 CO -0.62 0.32 -0.05 0.58 0.09 0.00 0.00 178.44 178.77 3ioc h VAL 51 N 0.70 1.03 -0.34 1.22 2.07 -0.61 -2.71 116.25 117.61 3ioc h VAL 51 Ca 0.39 -0.52 0.02 0.00 0.82 0.00 0.00 66.70 67.40 3ioc h VAL 51 Cb 0.39 1.36 -0.03 0.00 -1.52 0.00 0.00 31.29 31.50 3ioc h VAL 51 CO -0.27 0.13 0.18 0.03 0.02 0.00 0.00 177.57 177.66 3ioc h ARG 52 N -0.38 0.36 -0.72 1.57 3.08 -0.48 0.14 114.38 117.95 3ioc h ARG 52 Ca -0.01 -0.02 0.15 0.00 0.07 0.00 0.00 59.98 60.17 3ioc h ARG 52 Cb 0.32 -0.08 -0.13 0.00 0.08 0.00 0.00 29.97 30.15 3ioc h ARG 52 CO 0.02 0.24 -0.08 0.00 -1.07 0.00 0.00 179.97 179.09 3ioc h ALA 53 N 1.17 0.62 -0.47 0.04 0.00 -1.18 0.39 119.26 119.84 3ioc h ALA 53 Ca 0.14 0.25 -0.13 0.00 0.00 0.00 0.00 54.91 55.17 3ioc h ALA 53 Cb 0.03 0.46 -0.01 0.00 0.00 0.00 0.00 17.79 18.27 3ioc h ALA 53 CO -0.08 -0.42 -0.22 0.00 0.00 0.00 0.00 179.25 178.52 3ioc h ALA 54 N 1.69 0.72 -0.30 0.00 0.00 -1.12 -2.44 119.26 117.82 3ioc h ALA 54 Ca 0.37 -0.39 -0.06 0.00 0.00 0.00 0.00 54.91 54.82 3ioc h ALA 54 Cb 0.61 -0.16 -0.02 0.00 0.00 0.00 0.00 17.79 18.22 3ioc h ALA 54 CO -0.68 0.67 -0.09 -0.22 0.00 0.00 0.00 179.25 178.93 3ioc h LYS 55 N 0.83 0.49 0.00 0.00 3.64 0.76 -2.29 116.57 120.00 3ioc h LYS 55 Ca 0.11 -0.13 0.00 0.00 -1.27 0.00 0.00 60.65 59.36 3ioc h LYS 55 Cb 0.79 -0.06 0.00 0.00 -0.41 0.00 0.00 32.23 32.55 3ioc h LYS 55 CO 0.07 0.59 0.00 2.89 -2.27 0.00 0.00 179.45 180.72 3ioc n ARG 56 N -4.23 0.86 -2.53 1.90 -4.01 0.12 -4.58 116.66 104.19 3ioc n ARG 56 Ca 0.01 0.00 -0.43 0.00 -1.04 0.00 0.00 57.85 56.39 3ioc n ARG 56 Cb 0.30 -1.36 -0.02 0.00 -3.04 0.00 0.00 32.46 28.34 3ioc n ARG 56 CO 0.00 0.00 0.00 0.08 -3.04 0.00 0.00 177.63 174.67 3ioc s VAL 57 N -2.00 4.06 -0.47 8.89 1.01 -0.86 -4.95 120.40 126.07 3ioc s VAL 57 Ca 0.30 1.03 -0.42 0.00 0.00 0.00 0.00 61.98 62.88 3ioc s VAL 57 Cb 0.14 -4.56 -0.18 0.00 0.00 0.00 0.00 36.38 31.77 3ioc s VAL 57 CO 0.23 -1.09 1.89 -0.81 0.00 0.00 0.00 175.10 175.32 3ioc n PRO 58 N 8.14 0.00 0.00 2.72 -0.04 -1.26 -0.24 135.00 144.32 3ioc n PRO 58 Ca 0.12 0.00 0.00 0.00 -0.04 0.00 0.00 63.50 63.58 3ioc n PRO 58 Cb 0.49 -1.41 0.00 0.00 -0.04 0.00 0.00 33.50 32.53 3ioc n PRO 58 CO 0.00 0.00 0.00 0.41 -0.04 0.00 0.00 175.50 175.87 3ioc n GLY 59 N 6.25 1.38 3.63 0.55 0.00 -1.26 -4.80 105.19 110.93 3ioc n GLY 59 Ca 0.46 0.00 -0.48 0.00 0.00 0.00 0.00 46.02 46.01 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 2.15 -4.46 1.61 3.41 0.66 -1.87 113.62 115.11 3ioc n SER 60 Ca 0.00 1.13 -0.34 0.00 -0.26 0.00 0.00 58.87 59.40 3ioc n SER 60 Cb 0.00 -1.32 -0.13 0.00 -0.26 0.00 0.00 64.21 62.51 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 0.15 3.80 -0.21 -3.33 0.11 0.10 -4.78 120.40 116.24 3ioc s VAL 61 Ca 0.74 -0.38 -0.16 0.00 -2.93 0.00 0.00 61.98 59.25 3ioc s VAL 61 Cb -0.77 -2.68 -0.04 0.00 -1.53 0.00 0.00 36.38 31.36 3ioc s VAL 61 CO 0.48 0.47 0.42 -0.69 -3.33 0.00 0.00 175.10 172.45 3ioc s VAL 62 N 0.60 5.18 -0.20 2.04 1.01 -1.26 -1.17 120.40 126.60 3ioc s VAL 62 Ca -0.03 0.73 -0.07 0.00 0.00 0.00 0.00 61.98 62.61 3ioc s VAL 62 Cb -0.14 -3.74 -0.04 0.00 0.00 0.00 0.00 36.38 32.46 3ioc s VAL 62 CO 0.02 0.23 0.06 -0.69 0.00 0.00 0.00 175.10 174.72 3ioc s VAL 63 N 1.47 4.58 -0.13 2.92 1.01 0.35 -2.30 120.40 128.30 3ioc s VAL 63 Ca 0.19 -0.10 0.01 0.00 0.00 0.00 0.00 61.98 62.09 3ioc s VAL 63 Cb -0.15 -3.09 -0.01 0.00 0.00 0.00 0.00 36.38 33.14 3ioc s VAL 63 CO 0.08 0.42 -0.17 -0.69 0.00 0.00 0.00 175.10 174.74 3ioc s VAL 64 N 0.78 2.66 -0.05 2.92 1.01 -0.23 -0.08 120.40 127.41 3ioc s VAL 64 Ca 0.03 -0.79 -0.01 0.00 0.00 0.00 0.00 61.98 61.21 3ioc s VAL 64 Cb -0.14 -2.09 -0.04 0.00 0.00 0.00 0.00 36.38 34.12 3ioc s VAL 64 CO 0.02 0.53 0.04 -0.94 0.00 0.00 0.00 175.10 174.75 3ioc s SER 65 N 0.46 5.43 -0.35 3.32 1.04 -0.55 -1.35 113.70 121.71 3ioc s SER 65 Ca -0.12 0.14 0.02 0.00 0.48 0.00 0.00 55.95 56.47 3ioc s SER 65 Cb -0.16 -1.54 0.10 0.00 0.10 0.00 0.00 66.02 64.52 3ioc s SER 65 CO 0.05 0.33 0.10 -0.63 0.98 0.00 0.00 173.24 174.07 3ioc s ILE 66 N -1.02 1.67 -0.12 -1.02 1.01 -0.70 0.98 121.20 122.00 3ioc s ILE 66 Ca 0.17 -2.04 -0.05 0.00 0.00 0.00 0.00 60.65 58.73 3ioc s ILE 66 Cb -0.12 -2.23 0.05 0.00 0.01 0.00 0.00 42.46 40.17 3ioc s ILE 66 CO 0.07 -0.67 0.26 0.12 0.00 0.00 0.00 174.94 174.72 3ioc s PHE 67 N 1.07 -0.37 -0.30 3.97 5.36 -0.78 -4.39 117.98 122.55 3ioc s PHE 67 Ca 0.11 0.87 -0.11 0.00 -0.96 0.00 0.00 56.93 56.84 3ioc s PHE 67 Cb -0.19 0.03 -0.03 0.00 -0.34 0.00 0.00 43.02 42.49 3ioc s PHE 67 CO -0.14 -0.28 0.18 0.08 -1.46 0.00 0.00 175.22 173.60 3ioc s VAL 68 N 1.63 4.99 -0.17 3.12 1.01 -1.26 -4.33 120.40 125.38 3ioc s VAL 68 Ca -0.06 -0.12 -0.18 0.00 0.00 0.00 0.00 61.98 61.62 3ioc s VAL 68 Cb -0.11 -3.46 -0.04 0.00 0.00 0.00 0.00 36.38 32.78 3ioc s VAL 68 CO -0.09 0.15 0.48 0.21 0.00 0.00 0.00 175.10 175.86 3ioc s ASN 69 N 1.69 6.58 -0.34 3.32 3.84 -1.26 -4.98 114.94 123.79 3ioc s ASN 69 Ca 0.06 0.69 -0.01 0.00 0.21 0.00 0.00 52.86 53.81 3ioc s ASN 69 Cb -0.16 -2.28 0.23 0.00 -0.55 0.00 0.00 41.25 38.49 3ioc s ASN 69 CO 0.09 -0.10 2.02 -0.81 -2.79 0.00 0.00 177.10 175.50 3ioc n PRO 70 N 4.38 1.86 0.00 0.43 -0.04 -1.26 -4.41 135.00 135.96 3ioc n PRO 70 Ca -0.06 -1.68 0.00 0.00 -0.04 0.00 0.00 63.50 61.72 3ioc n PRO 70 Cb 0.51 -1.66 0.00 0.00 -0.04 0.00 0.00 33.50 32.31 3ioc n PRO 70 CO 0.00 0.00 0.00 -0.12 -0.04 0.00 0.00 175.50 175.34 3ioc n MET 71 N 0.26 0.00 -0.11 0.54 0.00 -1.26 -5.23 117.12 111.32 3ioc n MET 71 Ca 0.32 0.00 -0.23 0.00 0.00 0.00 0.00 57.70 57.80 3ioc n MET 71 Cb 0.58 -0.81 -0.10 0.00 0.00 0.00 0.00 33.22 32.89 3ioc n MET 71 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 175.97 175.97 3ioc n GLN 72 N -2.13 0.56 -3.40 2.12 0.00 -1.26 -4.91 117.38 108.36 3ioc n GLN 72 Ca 0.00 0.48 -0.17 0.00 0.00 0.00 0.00 57.00 57.31 3ioc n GLN 72 Cb 0.31 -1.67 0.09 0.00 0.00 0.00 0.00 30.24 28.97 3ioc n GLN 72 CO 0.00 0.00 0.00 0.25 0.00 0.00 0.00 177.06 177.31 3ioc n THR 85 N -4.40 -6.26 -0.12 -0.39 -2.24 -1.26 -4.37 114.28 95.25 3ioc n THR 85 Ca -0.36 -0.58 -0.10 0.00 -2.27 0.00 0.00 64.05 60.74 3ioc n THR 85 Cb 0.70 -5.13 -0.05 0.00 -2.10 0.00 0.00 70.33 63.76 3ioc n THR 85 CO 0.00 0.00 0.00 1.55 -0.57 0.00 0.00 175.07 176.05 3ioc h PRO 86 N -1.81 -0.32 -0.08 -0.78 0.13 -2.01 -1.34 132.00 125.78 3ioc h PRO 86 Ca -0.59 0.02 0.01 0.00 -0.87 0.00 0.00 66.00 64.58 3ioc h PRO 86 Cb 1.34 0.07 -0.02 0.00 0.13 0.00 0.00 31.00 32.52 3ioc h PRO 86 CO 0.49 -0.22 -0.17 -0.44 -0.23 0.00 0.00 178.00 177.43 3ioc h ASP 87 N -0.34 -0.56 -0.69 1.44 3.32 -2.05 -0.88 116.42 116.66 3ioc h ASP 87 Ca 0.13 0.07 0.12 0.00 0.02 0.00 0.00 57.03 57.38 3ioc h ASP 87 Cb 0.58 0.22 -0.13 0.00 0.22 0.00 0.00 39.33 40.23 3ioc h ASP 87 CO -0.56 -0.14 -0.30 0.44 -1.72 0.00 0.00 179.24 176.95 3ioc h ASP 88 N -0.16 -1.08 -0.75 6.45 3.32 -1.93 0.20 116.42 122.48 3ioc h ASP 88 Ca 0.02 0.24 0.09 0.00 0.02 0.00 0.00 57.03 57.40 3ioc h ASP 88 Cb 0.20 0.57 -0.07 0.00 0.22 0.00 0.00 39.33 40.25 3ioc h ASP 88 CO -0.16 -0.29 0.39 0.44 -1.72 0.00 0.00 179.24 177.90 3ioc h ASP 89 N -0.10 0.53 -0.25 6.45 3.32 -1.00 -0.29 116.42 125.08 3ioc h ASP 89 Ca 0.28 0.06 -0.01 0.00 0.02 0.00 0.00 57.03 57.38 3ioc h ASP 89 Cb 0.56 -0.04 -0.01 0.00 0.22 0.00 0.00 39.33 40.06 3ioc h ASP 89 CO -0.75 0.30 0.12 -0.07 -1.72 0.00 0.00 179.24 177.13 3ioc h LEU 90 N 0.66 0.33 0.01 1.55 3.38 0.59 -1.91 115.31 119.92 3ioc h LEU 90 Ca 0.36 -0.12 0.03 0.00 0.09 0.00 0.00 57.88 58.24 3ioc h LEU 90 Cb 0.36 -0.08 -0.05 0.00 0.09 0.00 0.00 40.66 40.98 3ioc h LEU 90 CO -0.26 0.36 -0.47 0.00 0.09 0.00 0.00 178.44 178.16 3ioc h ALA 91 N 0.98 -0.79 -1.08 1.53 0.00 0.91 0.99 119.26 121.81 3ioc h ALA 91 Ca 0.09 -0.06 0.35 0.00 0.00 0.00 0.00 54.91 55.29 3ioc h ALA 91 Cb 0.12 0.82 -0.14 0.00 0.00 0.00 0.00 17.79 18.59 3ioc h ALA 91 CO -0.01 -1.02 0.64 1.96 0.00 0.00 0.00 179.25 180.82 3ioc h GLN 92 N -0.63 0.24 0.01 0.00 4.20 -1.03 -1.04 115.11 116.86 3ioc h GLN 92 Ca 0.03 -0.01 -0.00 0.00 0.06 0.00 0.00 58.65 58.73 3ioc h GLN 92 Cb 0.69 -0.05 0.00 0.00 0.30 0.00 0.00 27.48 28.42 3ioc h GLN 92 CO -0.33 0.16 -0.00 -0.07 -0.67 0.00 0.00 178.83 177.91 3ioc h LEU 93 N 0.24 -0.01 -1.05 1.46 3.38 -0.31 0.15 115.31 119.18 3ioc h LEU 93 Ca 0.75 -0.67 0.16 0.00 0.09 0.00 0.00 57.88 58.22 3ioc h LEU 93 Cb 1.93 0.00 -0.10 0.00 0.09 0.00 0.00 40.66 42.58 3ioc h LEU 93 CO -0.55 0.67 0.62 -0.09 0.09 0.00 0.00 178.44 179.18 3ioc h ARG 94 N -0.70 0.80 -0.23 1.13 2.43 -0.14 -0.98 114.38 116.70 3ioc h ARG 94 Ca -0.00 -0.05 -0.18 0.00 -0.81 0.00 0.00 59.98 58.94 3ioc h ARG 94 Cb 0.68 -0.18 -0.00 0.00 -0.42 0.00 0.00 29.97 30.05 3ioc h ARG 94 CO 0.00 0.53 -0.57 0.00 -1.51 0.00 0.00 179.97 178.42 3ioc h ALA 95 N 1.60 0.56 0.00 2.80 0.00 -1.18 -3.08 119.26 119.97 3ioc h ALA 95 Ca 0.54 -0.52 0.00 0.00 0.00 0.00 0.00 54.91 54.93 3ioc h ALA 95 Cb 0.76 -0.07 0.00 0.00 0.00 0.00 0.00 17.79 18.48 3ioc h ALA 95 CO -0.32 0.69 0.00 0.39 0.00 0.00 0.00 179.25 180.01 3ioc n GLU 96 N -3.97 0.83 -1.15 0.00 -0.58 0.53 -4.89 120.64 111.40 3ioc n GLU 96 Ca -0.04 0.00 0.00 0.00 -0.42 0.00 0.00 57.16 56.70 3ioc n GLU 96 Cb 0.63 -1.40 0.00 0.00 -0.57 0.00 0.00 31.44 30.10 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 0.60 0.48 3.70 0.62 0.00 -0.80 -4.97 105.19 104.82 3ioc n GLY 97 Ca 0.16 -0.92 -0.41 0.00 0.00 0.00 0.00 46.02 44.85 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 -2.00 4.91 0.09 1.61 1.01 -0.60 -4.96 120.40 120.46 3ioc s VAL 98 Ca 0.00 1.83 0.07 0.00 0.00 0.00 0.00 61.98 63.88 3ioc s VAL 98 Cb 0.00 -4.22 -0.22 0.00 0.00 0.00 0.00 36.38 31.94 3ioc s VAL 98 CO 0.00 0.15 1.16 -0.33 0.00 0.00 0.00 175.10 176.08 3ioc h GLU 99 N 6.89 0.03 -4.04 2.72 5.08 -1.72 -3.35 114.58 120.19 3ioc h GLU 99 Ca -0.38 -0.05 -0.45 0.00 -1.00 0.00 0.00 59.36 57.48 3ioc h GLU 99 Cb 1.19 0.02 -0.35 0.00 0.50 0.00 0.00 28.75 30.11 3ioc h GLU 99 CO 0.77 0.94 -0.78 0.42 -1.00 0.00 0.00 179.01 179.37 3ioc s ILE 100 N -2.69 0.65 -0.19 3.13 1.01 -0.97 0.76 121.20 122.90 3ioc s ILE 100 Ca -0.01 -0.13 -0.00 0.00 0.00 0.00 0.00 60.65 60.51 3ioc s ILE 100 Cb 0.09 -0.69 0.01 0.00 0.01 0.00 0.00 42.46 41.88 3ioc s ILE 100 CO 0.83 0.27 -0.15 0.00 0.00 0.00 0.00 174.94 175.89 3ioc s ALA 101 N 1.28 2.48 -0.43 9.38 0.00 0.07 -1.07 121.76 133.47 3ioc s ALA 101 Ca -0.05 -1.19 -0.18 0.00 0.00 0.00 0.00 51.96 50.54 3ioc s ALA 101 Cb -0.14 -1.33 0.02 0.00 0.00 0.00 0.00 23.12 21.68 3ioc s ALA 101 CO -0.02 -0.34 0.47 0.12 0.00 0.00 0.00 175.76 175.99 3ioc s PHE 102 N 1.30 3.15 -0.69 0.00 5.36 -0.46 -0.06 117.98 126.58 3ioc s PHE 102 Ca 0.04 -0.33 0.05 0.00 -0.96 0.00 0.00 56.93 55.74 3ioc s PHE 102 Cb -0.14 -2.98 0.22 0.00 -0.34 0.00 0.00 43.02 39.79 3ioc s PHE 102 CO -0.09 -0.73 0.68 0.25 -1.46 0.00 0.00 175.22 173.87 3ioc n THR 103 N 5.51 2.23 -1.68 0.12 -2.24 0.74 -1.72 114.28 117.24 3ioc n THR 103 Ca -0.06 -5.11 -0.32 0.00 -2.27 0.00 0.00 64.05 56.28 3ioc n THR 103 Cb 0.47 -2.15 0.05 0.00 -2.10 0.00 0.00 70.33 66.61 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 -2.06 2.76 0.71 -0.78 0.04 -1.25 -4.47 135.00 129.94 3ioc s PRO 104 Ca 0.33 1.30 -0.10 0.00 0.04 0.00 0.00 61.00 62.57 3ioc s PRO 104 Cb 0.06 -1.95 0.04 0.00 0.04 0.00 0.00 34.50 32.69 3ioc s PRO 104 CO -0.07 -1.27 1.07 0.95 0.04 0.00 0.00 177.00 177.72 3ioc s THR 105 N -2.51 2.99 0.24 1.26 -4.23 -1.26 -4.92 115.64 107.21 3ioc s THR 105 Ca 0.65 0.17 -0.02 0.00 -1.18 0.00 0.00 61.69 61.32 3ioc s THR 105 Cb -0.19 -3.29 0.05 0.00 1.34 0.00 0.00 72.50 70.41 3ioc s THR 105 CO 0.45 -0.36 1.68 0.74 -0.54 0.00 0.00 174.62 176.58 3ioc h THR 106 N -0.66 1.27 -0.46 3.99 2.02 -1.97 -2.13 112.91 114.97 3ioc h THR 106 Ca -0.45 -1.28 -0.08 0.00 0.77 0.00 0.00 66.41 65.37 3ioc h THR 106 Cb 1.28 1.23 -0.02 0.00 -1.74 0.00 0.00 68.15 68.90 3ioc h THR 106 CO 0.63 0.42 -0.04 0.00 0.37 0.00 0.00 175.52 176.90 3ioc h ALA 107 N 1.18 1.06 0.00 6.16 0.00 -1.94 0.22 119.26 125.93 3ioc h ALA 107 Ca 0.09 -0.28 -0.17 0.00 0.00 0.00 0.00 54.91 54.54 3ioc h ALA 107 Cb 0.68 -0.18 -0.02 0.00 0.00 0.00 0.00 17.79 18.26 3ioc h ALA 107 CO 0.05 0.58 -0.80 0.00 0.00 0.00 0.00 179.25 179.08 3ioc h ALA 108 N 1.23 0.55 0.00 0.00 0.00 -1.87 -2.30 119.26 116.86 3ioc h ALA 108 Ca 0.13 -0.73 -0.21 0.00 0.00 0.00 0.00 54.91 54.10 3ioc h ALA 108 Cb 0.50 -0.13 -0.03 0.00 0.00 0.00 0.00 17.79 18.13 3ioc h ALA 108 CO 0.03 1.00 -1.10 0.52 0.00 0.00 0.00 179.25 179.69 3ioc h MET 109 N 0.00 0.00 -2.04 0.00 2.86 -1.01 -3.38 114.93 111.37 3ioc h MET 109 Ca -0.01 0.00 -0.57 0.00 -2.06 0.00 0.00 59.70 57.06 3ioc h MET 109 Cb 1.54 0.00 -0.42 0.00 0.06 0.00 0.00 31.60 32.78 3ioc h MET 109 CO 0.10 0.81 -0.75 0.66 1.06 0.00 0.00 176.91 178.80 3ioc n TYR 110 N -3.25 3.34 0.20 -0.22 4.01 0.72 -4.91 117.16 117.06 3ioc n TYR 110 Ca -0.04 -3.74 0.18 0.00 -0.16 0.00 0.00 57.90 54.14 3ioc n TYR 110 Cb 0.94 -0.39 0.83 0.00 -0.31 0.00 0.00 39.34 40.40 3ioc n TYR 110 CO 0.00 0.00 0.00 -1.00 -0.46 0.00 0.00 176.86 175.40 3ioc h PRO 111 N 2.90 0.00 0.00 -0.72 0.13 -1.60 -2.43 132.00 130.29 3ioc h PRO 111 Ca 0.15 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.28 3ioc h PRO 111 Cb 0.67 0.00 0.00 0.00 0.13 0.00 0.00 31.00 31.80 3ioc h PRO 111 CO 0.77 0.00 -0.00 -0.25 -0.23 0.00 0.00 178.00 178.29 3ioc n ASP 112 N -3.62 2.05 0.00 1.44 8.00 -1.26 -5.10 116.55 118.06 3ioc n ASP 112 Ca 0.02 -2.17 0.00 0.00 0.71 0.00 0.00 54.79 53.35 3ioc n ASP 112 Cb 0.40 -0.07 0.00 0.00 -0.02 0.00 0.00 41.12 41.43 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 -0.65 -0.46 3.55 0.44 0.00 -0.91 -4.38 105.19 102.77 3ioc n GLY 113 Ca 0.03 -1.09 -0.43 0.00 0.00 0.00 0.00 46.02 44.53 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 4.22 0.00 0.99 1.43 -1.26 -4.85 118.68 119.21 3ioc s LEU 114 Ca 0.00 -0.07 0.00 0.00 -1.03 0.00 0.00 54.13 53.03 3ioc s LEU 114 Cb 0.00 -3.00 0.00 0.00 0.03 0.00 0.00 46.19 43.22 3ioc s LEU 114 CO 0.00 -0.93 0.00 -1.14 0.23 0.00 0.00 176.35 174.51 3ioc n ARG 115 N 6.78 0.00 -2.38 1.70 0.63 -1.26 -5.01 116.66 117.11 3ioc n ARG 115 Ca 0.03 0.00 -0.42 0.00 -0.92 0.00 0.00 57.85 56.54 3ioc n ARG 115 Cb 0.48 0.00 -0.03 0.00 0.45 0.00 0.00 32.46 33.36 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 0.29 4.03 0.31 5.15 2.01 -1.26 -5.04 115.64 121.13 3ioc s THR 116 Ca 0.00 1.40 0.03 0.00 0.31 0.00 0.00 61.69 63.43 3ioc s THR 116 Cb 0.00 -3.90 -0.05 0.00 0.01 0.00 0.00 72.50 68.56 3ioc s THR 116 CO 0.00 0.03 0.10 0.42 -0.69 0.00 0.00 174.62 174.49 3ioc s THR 117 N 1.90 0.70 -0.08 -0.82 -4.23 -1.26 -5.12 115.64 106.74 3ioc s THR 117 Ca 0.59 -2.00 -0.12 0.00 -1.18 0.00 0.00 61.69 58.97 3ioc s THR 117 Cb -0.28 -2.61 -0.05 0.00 1.34 0.00 0.00 72.50 70.90 3ioc s THR 117 CO 0.25 0.00 0.30 -0.69 -0.54 0.00 0.00 174.62 173.95 3ioc s VAL 118 N -3.50 5.24 -0.34 2.29 1.01 -1.26 -5.05 120.40 118.79 3ioc s VAL 118 Ca 0.35 0.58 -0.11 0.00 0.00 0.00 0.00 61.98 62.80 3ioc s VAL 118 Cb 0.07 -3.61 -0.00 0.00 0.00 0.00 0.00 36.38 32.84 3ioc s VAL 118 CO 0.15 0.53 0.19 -1.58 0.00 0.00 0.00 175.10 174.39 3ioc s GLN 119 N -0.57 3.25 1.10 2.72 0.74 -1.26 -4.62 119.66 121.01 3ioc s GLN 119 Ca 0.19 -0.79 -0.13 0.00 0.05 0.00 0.00 55.36 54.68 3ioc s GLN 119 Cb -0.14 -3.68 0.25 0.00 1.10 0.00 0.00 33.01 30.53 3ioc s GLN 119 CO 0.08 -0.50 1.05 -2.14 -0.55 0.00 0.00 175.29 173.23 3ioc s PRO 120 N 1.63 -0.41 0.94 1.67 0.02 -1.26 -5.02 135.00 132.56 3ioc s PRO 120 Ca 0.04 0.77 -0.12 0.00 0.02 0.00 0.00 61.00 61.71 3ioc s PRO 120 Cb -0.18 -1.62 0.15 0.00 0.02 0.00 0.00 34.50 32.88 3ioc s PRO 120 CO 0.08 -3.36 1.11 0.20 -0.33 0.00 0.00 177.00 174.69 3ioc s GLY 121 N -2.83 1.58 0.60 0.52 0.00 -1.26 -4.90 107.32 101.02 3ioc s GLY 121 Ca 0.67 -0.38 0.29 0.00 0.00 0.00 0.00 44.72 45.30 3ioc s GLY 121 CO 0.62 0.18 1.65 -0.56 0.00 0.00 0.00 173.10 174.99 3ioc h PRO 122 N -1.65 0.00 -0.35 2.90 0.13 -2.03 -0.84 132.00 130.16 3ioc h PRO 122 Ca -0.52 0.00 0.10 0.00 -0.87 0.00 0.00 66.00 64.71 3ioc h PRO 122 Cb 1.32 0.00 -0.01 0.00 0.13 0.00 0.00 31.00 32.44 3ioc h PRO 122 CO 0.59 0.00 0.30 1.25 -0.23 0.00 0.00 178.00 179.91 3ioc h LEU 123 N 0.00 0.00 -0.55 1.56 5.85 -1.97 -2.03 115.31 118.17 3ioc h LEU 123 Ca 0.36 0.00 0.00 0.00 0.84 0.00 0.00 57.88 59.08 3ioc h LEU 123 Cb 1.98 0.00 0.00 0.00 0.37 0.00 0.00 40.66 43.01 3ioc h LEU 123 CO -0.00 0.00 0.00 0.00 -0.34 0.00 0.00 178.44 178.10 3ioc n ALA 124 N -2.48 1.66 1.26 1.25 0.00 -0.32 -2.32 120.51 119.55 3ioc n ALA 124 Ca 0.05 0.06 0.13 0.00 0.00 0.00 0.00 53.44 53.68 3ioc n ALA 124 Cb 0.47 -1.35 0.32 0.00 0.00 0.00 0.00 19.45 18.88 3ioc n ALA 124 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 3ioc n ALA 125 N -1.71 2.61 -2.42 0.00 0.00 -0.76 -3.94 120.51 114.28 3ioc n ALA 125 Ca 0.02 -0.55 -0.21 0.00 0.00 0.00 0.00 53.44 52.70 3ioc n ALA 125 Cb 0.22 -1.00 -0.04 0.00 0.00 0.00 0.00 19.45 18.62 3ioc n ALA 125 CO 0.00 0.00 0.00 -1.21 0.00 0.00 0.00 177.50 176.29 3ioc s GLU 126 N -2.06 2.62 4.10 0.00 2.02 -0.98 -2.68 118.70 121.73 3ioc s GLU 126 Ca 0.32 -1.40 0.00 0.00 0.02 0.00 0.00 54.97 53.91 3ioc s GLU 126 Cb 0.20 -2.41 0.00 0.00 0.10 0.00 0.00 34.13 32.02 3ioc s GLU 126 CO 0.35 0.01 0.00 1.28 0.02 0.00 0.00 175.26 176.92 3ioc n LEU 127 N -1.40 0.00 0.23 1.80 4.77 -1.26 0.43 117.00 121.57 3ioc n LEU 127 Ca -0.00 0.00 0.11 0.00 -0.03 0.00 0.00 56.01 56.09 3ioc n LEU 127 Cb 0.61 0.00 0.48 0.00 -2.33 0.00 0.00 43.42 42.18 3ioc n LEU 127 CO 0.43 0.00 0.84 -0.33 -1.33 0.00 0.00 177.39 176.99 3ioc h GLU 128 N 0.00 0.00 -0.05 3.23 4.39 -1.92 -2.97 114.58 117.27 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 0.17 0.00 0.41 -1.16 0.00 0.00 179.01 178.43 3ioc n GLY 129 N 0.19 -0.22 0.22 -3.84 0.00 0.17 -3.99 105.19 97.72 3ioc n GLY 129 Ca 0.00 -0.36 -0.12 0.00 0.00 0.00 0.00 46.02 45.55 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 4.98 -0.48 1.55 -0.02 0.00 -1.33 -3.18 103.07 104.59 3ioc h GLY 130 Ca 0.00 0.18 -0.13 0.00 0.00 0.00 0.00 47.33 47.38 3ioc h GLY 130 CO 0.00 -0.17 -0.43 -0.56 0.00 0.00 0.00 176.54 175.37 3ioc h PRO 131 N -0.94 0.49 -2.56 4.80 0.13 -1.79 -3.41 132.00 128.72 3ioc h PRO 131 Ca -0.05 -0.26 -0.61 0.00 -0.87 0.00 0.00 66.00 64.22 3ioc h PRO 131 Cb 0.52 0.01 -0.42 0.00 0.13 0.00 0.00 31.00 31.25 3ioc h PRO 131 CO 0.08 0.84 -0.63 0.54 -0.23 0.00 0.00 178.00 178.59 3ioc n ARG 132 N -4.01 2.04 0.00 0.86 3.00 -1.24 -4.99 116.66 112.31 3ioc n ARG 132 Ca -0.02 -4.45 0.04 0.00 -0.01 0.00 0.00 57.85 53.40 3ioc n ARG 132 Cb 0.53 -2.19 0.22 0.00 0.00 0.00 0.00 32.46 31.02 3ioc n ARG 132 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 177.63 177.28 3ioc n PRO 133 N 1.43 0.95 0.00 5.56 -0.04 -1.20 -2.57 135.00 139.13 3ioc n PRO 133 Ca 0.25 0.00 0.00 0.00 -0.04 0.00 0.00 63.50 63.72 3ioc n PRO 133 Cb 0.39 -1.12 -0.00 0.00 -0.04 0.00 0.00 33.50 32.73 3ioc n PRO 133 CO 0.00 0.00 0.00 0.25 -0.04 0.00 0.00 175.50 175.71 3ioc n THR 134 N -0.62 0.00 -0.19 0.52 -2.24 -1.26 -4.75 114.28 105.74 3ioc n THR 134 Ca 0.06 -0.49 -0.01 0.00 -2.27 0.00 0.00 64.05 61.34 3ioc n THR 134 Cb 0.03 1.01 0.10 0.00 -2.10 0.00 0.00 70.33 69.36 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 0.06 0.33 0.00 4.78 6.17 -1.69 -0.65 115.15 124.14 3ioc h HIS 135 Ca 0.00 0.03 -0.09 0.00 0.71 0.00 0.00 60.37 61.02 3ioc h HIS 135 Cb 0.02 -0.06 -0.01 0.00 2.52 0.00 0.00 27.41 29.88 3ioc h HIS 135 CO 0.00 0.06 -0.44 0.74 0.71 0.00 0.00 177.93 179.00 3ioc h PHE 136 N 0.36 0.00 -0.03 5.26 0.04 -1.85 -0.72 116.94 119.99 3ioc h PHE 136 Ca 0.29 0.00 -0.00 0.00 2.80 0.00 0.00 57.97 61.06 3ioc h PHE 136 Cb 0.38 0.00 -0.00 0.00 2.20 0.00 0.00 35.95 38.52 3ioc h PHE 136 CO -0.19 0.44 0.01 0.00 -0.60 0.00 0.00 178.31 177.98 3ioc h ALA 137 N 1.56 0.03 -0.41 2.45 0.00 -1.45 0.13 119.26 121.56 3ioc h ALA 137 Ca -0.00 -0.06 0.09 0.00 0.00 0.00 0.00 54.91 54.93 3ioc h ALA 137 Cb 0.88 -0.01 -0.09 0.00 0.00 0.00 0.00 17.79 18.57 3ioc h ALA 137 CO 0.06 -0.41 -0.23 0.78 0.00 0.00 0.00 179.25 179.45 3ioc h GLY 138 N -0.08 0.01 0.87 0.00 0.00 -0.94 -1.37 103.07 101.56 3ioc h GLY 138 Ca 0.01 0.30 -0.02 0.00 0.00 0.00 0.00 47.33 47.62 3ioc h GLY 138 CO -0.00 -0.21 -0.15 -2.08 0.00 0.00 0.00 176.54 174.10 3ioc h VAL 139 N -0.16 0.71 -0.33 4.60 2.07 -0.80 -2.85 116.25 119.49 3ioc h VAL 139 Ca 0.20 -0.26 -0.01 0.00 0.82 0.00 0.00 66.70 67.45 3ioc h VAL 139 Cb 0.47 0.85 -0.02 0.00 -1.52 0.00 0.00 31.29 31.07 3ioc h VAL 139 CO -0.51 0.05 0.16 -0.07 0.02 0.00 0.00 177.57 177.23 3ioc h LEU 140 N -0.57 0.40 -0.09 2.57 3.38 -0.90 -1.13 115.31 118.97 3ioc h LEU 140 Ca -0.04 -0.03 -0.01 0.00 0.09 0.00 0.00 57.88 57.89 3ioc h LEU 140 Cb 0.42 -0.10 -0.00 0.00 0.09 0.00 0.00 40.66 41.06 3ioc h LEU 140 CO 0.07 0.34 0.03 0.74 0.09 0.00 0.00 178.44 179.71 3ioc h THR 141 N 0.46 1.18 -0.13 0.22 2.02 -1.16 0.66 112.91 116.16 3ioc h THR 141 Ca 0.12 -0.55 -0.12 0.00 0.77 0.00 0.00 66.41 66.63 3ioc h THR 141 Cb 0.05 1.37 -0.01 0.00 -1.74 0.00 0.00 68.15 67.82 3ioc h THR 141 CO -0.02 0.16 -0.44 1.62 0.37 0.00 0.00 175.52 177.21 3ioc h VAL 142 N -0.04 1.32 -0.04 3.16 3.04 -1.24 -1.24 116.25 121.21 3ioc h VAL 142 Ca 0.03 -1.61 -0.13 0.00 -1.01 0.00 0.00 66.70 63.98 3ioc h VAL 142 Cb 0.22 1.72 -0.01 0.00 -2.01 0.00 0.00 31.29 31.21 3ioc h VAL 142 CO -0.00 0.49 -0.56 0.58 -1.01 0.00 0.00 177.57 177.06 3ioc h VAL 143 N 0.25 1.39 -0.12 1.51 2.07 -1.07 0.17 116.25 120.44 3ioc h VAL 143 Ca 0.02 -1.90 -0.02 0.00 0.82 0.00 0.00 66.70 65.61 3ioc h VAL 143 Cb 0.88 1.98 -0.00 0.00 -1.52 0.00 0.00 31.29 32.63 3ioc h VAL 143 CO 0.07 0.55 -0.01 0.25 0.02 0.00 0.00 177.57 178.45 3ioc h LEU 144 N 0.10 0.22 -0.61 2.57 5.85 -0.31 -1.68 115.31 121.44 3ioc h LEU 144 Ca -0.00 -0.33 0.04 0.00 0.84 0.00 0.00 57.88 58.43 3ioc h LEU 144 Cb 1.02 -0.06 -0.05 0.00 0.37 0.00 0.00 40.66 41.94 3ioc h LEU 144 CO 0.08 0.50 0.35 0.11 -0.34 0.00 0.00 178.44 179.14 3ioc h LYS 145 N -0.07 0.64 -0.83 1.25 1.57 -0.83 -1.56 116.57 116.75 3ioc h LYS 145 Ca 0.03 -0.04 0.02 0.00 -1.87 0.00 0.00 60.65 58.80 3ioc h LYS 145 Cb 0.40 -0.14 -0.05 0.00 0.08 0.00 0.00 32.23 32.51 3ioc h LYS 145 CO 0.01 0.43 0.54 -0.07 -0.57 0.00 0.00 179.45 179.78 3ioc h LEU 146 N 0.66 0.90 -0.63 2.94 3.38 -0.65 0.88 115.31 122.79 3ioc h LEU 146 Ca 0.26 -0.01 -0.11 0.00 0.09 0.00 0.00 57.88 58.12 3ioc h LEU 146 Cb 0.12 -0.21 -0.02 0.00 0.09 0.00 0.00 40.66 40.64 3ioc h LEU 146 CO -0.15 0.63 -0.50 -0.07 0.09 0.00 0.00 178.44 178.44 3ioc h LEU 147 N 1.06 0.00 -0.32 1.67 3.38 -0.85 -0.62 115.31 119.62 3ioc h LEU 147 Ca 0.32 0.00 -0.20 0.00 0.09 0.00 0.00 57.88 58.09 3ioc h LEU 147 Cb -0.04 0.00 -0.00 0.00 0.09 0.00 0.00 40.66 40.71 3ioc h LEU 147 CO -0.10 0.50 -0.81 1.56 0.09 0.00 0.00 178.44 179.68 3ioc h GLN 148 N 0.00 0.36 -0.17 1.13 1.08 -0.79 0.36 115.11 117.08 3ioc h GLN 148 Ca -0.01 -0.33 -0.07 0.00 -1.45 0.00 0.00 58.65 56.80 3ioc h GLN 148 Cb 1.11 0.08 -0.00 0.00 -0.05 0.00 0.00 27.48 28.62 3ioc h GLN 148 CO 0.07 1.00 -0.16 0.82 -0.95 0.00 0.00 178.83 179.61 3ioc h ILE 149 N 0.22 1.34 0.00 2.54 2.04 -0.52 -3.34 117.51 119.78 3ioc h ILE 149 Ca -0.05 -1.30 0.00 0.00 1.00 0.00 0.00 64.86 64.51 3ioc h ILE 149 Cb 1.41 1.81 0.00 0.00 -0.74 0.00 0.00 36.82 39.30 3ioc h ILE 149 CO 0.14 0.39 -1.68 0.52 0.00 0.00 0.00 178.15 177.52 3ioc n VAL 150 N -4.52 0.16 -4.07 1.67 0.31 -0.27 -4.13 118.33 107.48 3ioc n VAL 150 Ca -0.06 -0.48 -0.34 0.00 -0.01 0.00 0.00 64.34 63.45 3ioc n VAL 150 Cb 0.37 -0.04 -0.03 0.00 -0.91 0.00 0.00 33.84 33.24 3ioc n VAL 150 CO 0.00 0.00 0.00 -1.14 -1.32 0.00 0.00 176.83 174.37 3ioc n ARG 151 N -2.32 -1.35 -1.72 5.55 3.00 0.13 -4.84 116.66 115.11 3ioc n ARG 151 Ca -0.02 0.21 -0.29 0.00 -0.00 0.00 0.00 57.85 57.75 3ioc n ARG 151 Cb 0.55 -3.58 0.11 0.00 0.00 0.00 0.00 32.46 29.54 3ioc n ARG 151 CO 0.00 0.00 0.00 -1.25 0.00 0.00 0.00 177.63 176.38 3ioc s PRO 152 N -7.01 1.62 -0.01 -0.14 0.04 -1.26 -4.94 135.00 123.30 3ioc s PRO 152 Ca 0.21 0.23 -0.20 0.00 0.04 0.00 0.00 61.00 61.28 3ioc s PRO 152 Cb -0.10 -1.90 -0.32 0.00 0.04 0.00 0.00 34.50 32.22 3ioc s PRO 152 CO 0.95 -1.85 0.96 -0.44 0.04 0.00 0.00 177.00 176.65 3ioc h ASP 153 N -1.25 0.61 -4.56 6.66 5.19 -0.21 -3.43 116.42 119.43 3ioc h ASP 153 Ca -0.48 -0.92 -0.32 0.00 -0.62 0.00 0.00 57.03 54.69 3ioc h ASP 153 Cb 1.33 -0.20 -0.20 0.00 0.18 0.00 0.00 39.33 40.44 3ioc h ASP 153 CO 0.64 1.48 -0.74 -0.13 -3.12 0.00 0.00 179.24 177.37 3ioc s ARG 154 N -2.59 0.72 -0.04 3.56 0.52 -1.21 -0.82 118.95 119.08 3ioc s ARG 154 Ca -0.12 -0.96 0.02 0.00 -0.52 0.00 0.00 55.73 54.16 3ioc s ARG 154 Cb 0.02 -0.51 0.01 0.00 0.52 0.00 0.00 34.95 34.99 3ioc s ARG 154 CO 0.87 0.09 -0.10 0.54 0.02 0.00 0.00 175.30 176.72 3ioc s VAL 155 N -1.76 0.93 -0.14 3.52 0.11 0.22 -1.34 120.40 121.93 3ioc s VAL 155 Ca -0.02 -0.40 -0.04 0.00 -2.93 0.00 0.00 61.98 58.58 3ioc s VAL 155 Cb -0.07 -0.84 -0.03 0.00 -1.53 0.00 0.00 36.38 33.90 3ioc s VAL 155 CO 0.01 0.29 0.01 -0.36 -3.33 0.00 0.00 175.10 171.72 3ioc s PHE 156 N 0.41 3.15 0.01 1.54 0.40 -0.58 -1.26 117.98 121.65 3ioc s PHE 156 Ca -0.08 -0.00 0.00 0.00 -0.60 0.00 0.00 56.93 56.25 3ioc s PHE 156 Cb -0.12 -1.94 -0.01 0.00 0.51 0.00 0.00 43.02 41.46 3ioc s PHE 156 CO 0.02 0.21 -0.02 -0.06 0.70 0.00 0.00 175.22 176.06 3ioc s PHE 157 N -0.07 0.15 0.26 0.36 0.08 -0.73 -4.33 117.98 113.70 3ioc s PHE 157 Ca 0.04 -0.30 -0.30 0.00 0.12 0.00 0.00 56.93 56.50 3ioc s PHE 157 Cb -0.13 -0.11 -0.09 0.00 -0.57 0.00 0.00 43.02 42.12 3ioc s PHE 157 CO 0.02 -0.11 1.02 0.20 -0.10 0.00 0.00 175.22 176.25 3ioc s GLY 158 N -0.82 3.09 0.19 4.36 0.00 -1.26 0.51 107.32 113.39 3ioc s GLY 158 Ca -0.09 0.76 0.18 0.00 0.00 0.00 0.00 44.72 45.57 3ioc s GLY 158 CO -0.01 1.35 1.55 1.18 0.00 0.00 0.00 173.10 177.17 3ioc n GLU 159 N 1.33 0.11 -0.21 2.90 1.02 0.41 -3.10 120.64 123.10 3ioc n GLU 159 Ca -0.02 0.46 0.01 0.00 -0.02 0.00 0.00 57.16 57.60 3ioc n GLU 159 Cb 0.46 -1.77 0.12 0.00 -0.02 0.00 0.00 31.44 30.23 3ioc n GLU 159 CO 0.00 0.00 0.00 -0.22 1.18 0.00 0.00 177.13 178.09 3ioc h LYS 160 N 0.00 0.39 -3.05 3.49 3.11 -1.92 -2.45 116.57 116.13 3ioc h LYS 160 Ca 0.00 -0.02 -0.75 0.00 -2.81 0.00 0.00 60.65 57.07 3ioc h LYS 160 Cb 0.19 -0.09 -0.32 0.00 -1.00 0.00 0.00 32.23 31.01 3ioc h LYS 160 CO 0.00 0.26 0.29 -0.25 -2.81 0.00 0.00 179.45 176.93 3ioc n ASP 161 N -5.01 5.27 -0.08 4.20 9.92 -1.18 -4.64 116.55 125.03 3ioc n ASP 161 Ca 0.10 -3.26 -0.12 0.00 -0.53 0.00 0.00 54.79 50.97 3ioc n ASP 161 Cb 0.30 -1.15 -0.05 0.00 -0.64 0.00 0.00 41.12 39.58 3ioc n ASP 161 CO 0.00 0.00 0.00 0.22 0.13 0.00 0.00 177.20 177.55 3ioc h TYR 162 N 5.65 0.53 -0.47 1.24 5.03 -1.66 -1.69 116.97 125.60 3ioc h TYR 162 Ca 0.19 -0.13 0.08 0.00 2.58 0.00 0.00 58.73 61.45 3ioc h TYR 162 Cb 0.73 -0.12 -0.07 0.00 1.55 0.00 0.00 36.73 38.81 3ioc h TYR 162 CO 0.84 0.73 0.07 0.37 -1.32 0.00 0.00 178.16 178.84 3ioc h GLN 163 N 0.18 0.19 -0.98 1.82 4.15 -1.89 -0.42 115.11 118.15 3ioc h GLN 163 Ca 0.05 -0.01 0.14 0.00 0.77 0.00 0.00 58.65 59.60 3ioc h GLN 163 Cb 0.58 -0.04 -0.09 0.00 0.21 0.00 0.00 27.48 28.14 3ioc h GLN 163 CO 0.03 0.12 0.62 0.37 -1.93 0.00 0.00 178.83 178.04 3ioc h GLN 164 N 0.19 0.86 0.47 1.69 4.15 -1.90 -1.55 115.11 119.02 3ioc h GLN 164 Ca 0.23 -0.05 -0.02 0.00 0.77 0.00 0.00 58.65 59.58 3ioc h GLN 164 Cb 0.32 -0.19 0.00 0.00 0.21 0.00 0.00 27.48 27.82 3ioc h GLN 164 CO -0.33 0.57 -0.22 1.25 -1.93 0.00 0.00 178.83 178.17 3ioc h LEU 165 N 0.89 -0.53 -1.29 -2.39 5.85 -0.31 -0.36 115.31 117.17 3ioc h LEU 165 Ca 0.51 -0.02 0.08 0.00 0.84 0.00 0.00 57.88 59.29 3ioc h LEU 165 Cb 0.63 0.14 -0.05 0.00 0.37 0.00 0.00 40.66 41.74 3ioc h LEU 165 CO -0.28 -0.33 0.53 0.58 -0.34 0.00 0.00 178.44 178.61 3ioc h VAL 166 N -0.69 1.01 -0.21 1.05 2.07 -0.84 -1.94 116.25 116.69 3ioc h VAL 166 Ca -0.06 -0.29 -0.16 0.00 0.82 0.00 0.00 66.70 67.01 3ioc h VAL 166 Cb 0.51 0.10 0.00 0.00 -1.52 0.00 0.00 31.29 30.39 3ioc h VAL 166 CO 0.10 0.15 -0.48 -0.07 0.02 0.00 0.00 177.57 177.30 3ioc h LEU 167 N 0.83 0.78 -1.58 2.57 3.38 -1.09 -2.41 115.31 117.80 3ioc h LEU 167 Ca 0.36 -0.56 0.08 0.00 0.09 0.00 0.00 57.88 57.85 3ioc h LEU 167 Cb 0.31 -0.23 -0.04 0.00 0.09 0.00 0.00 40.66 40.80 3ioc h LEU 167 CO -0.13 1.20 0.40 0.40 0.09 0.00 0.00 178.44 180.40 3ioc h ILE 168 N 0.40 0.94 0.00 1.22 2.04 -0.44 -1.13 117.51 120.54 3ioc h ILE 168 Ca -0.00 -0.17 -0.06 0.00 1.00 0.00 0.00 64.86 65.63 3ioc h ILE 168 Cb 1.09 0.40 -0.01 0.00 -0.74 0.00 0.00 36.82 37.57 3ioc h ILE 168 CO 0.11 0.09 -0.28 0.03 0.00 0.00 0.00 178.15 178.09 3ioc h ARG 169 N 0.50 0.00 0.12 2.37 3.08 -0.89 -1.16 114.38 118.40 3ioc h ARG 169 Ca 0.27 0.00 -0.27 0.00 0.07 0.00 0.00 59.98 60.05 3ioc h ARG 169 Cb 0.42 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.47 3ioc h ARG 169 CO -0.08 0.28 -1.23 1.96 -1.07 0.00 0.00 179.97 179.84 3ioc h GLN 170 N 0.00 0.26 0.43 0.04 4.20 -1.02 -1.88 115.11 117.14 3ioc h GLN 170 Ca -0.00 -0.44 -0.02 0.00 0.06 0.00 0.00 58.65 58.24 3ioc h GLN 170 Cb 0.80 0.16 0.00 0.00 0.30 0.00 0.00 27.48 28.75 3ioc h GLN 170 CO 0.04 1.21 -0.21 1.25 -0.67 0.00 0.00 178.83 180.45 3ioc h LEU 171 N 0.07 -0.49 -1.01 1.46 5.85 -0.88 0.78 115.31 121.09 3ioc h LEU 171 Ca -0.13 -0.09 0.05 0.00 0.84 0.00 0.00 57.88 58.55 3ioc h LEU 171 Cb 1.96 0.13 -0.06 0.00 0.37 0.00 0.00 40.66 43.06 3ioc h LEU 171 CO 0.20 -0.17 0.66 0.58 -0.34 0.00 0.00 178.44 179.37 3ioc h VAL 172 N -0.83 1.15 -0.03 1.05 2.07 -1.26 -1.89 116.25 116.51 3ioc h VAL 172 Ca -0.06 -0.43 -0.05 0.00 0.82 0.00 0.00 66.70 66.98 3ioc h VAL 172 Cb 0.55 -0.21 0.00 0.00 -1.52 0.00 0.00 31.29 30.12 3ioc h VAL 172 CO 0.10 0.23 -0.19 0.00 0.02 0.00 0.00 177.57 177.72 3ioc h ALA 173 N 1.43 0.06 0.00 1.67 0.00 -1.10 -0.36 119.26 120.96 3ioc h ALA 173 Ca 0.41 -0.41 -0.05 0.00 0.00 0.00 0.00 54.91 54.86 3ioc h ALA 173 Cb 0.06 0.00 -0.01 0.00 0.00 0.00 0.00 17.79 17.84 3ioc h ALA 173 CO -0.14 0.04 -0.25 -0.44 0.00 0.00 0.00 179.25 178.46 3ioc h ASP 174 N -0.41 0.00 -0.33 0.00 3.32 0.90 -2.65 116.42 117.25 3ioc h ASP 174 Ca -0.02 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.03 3ioc h ASP 174 Cb 0.88 0.00 0.00 0.00 0.22 0.00 0.00 39.33 40.43 3ioc h ASP 174 CO 0.04 0.25 0.00 0.49 -1.72 0.00 0.00 179.24 178.30 3ioc n PHE 175 N -4.02 0.43 -2.96 4.55 3.72 -0.74 -4.98 117.46 113.44 3ioc n PHE 175 Ca -0.02 -0.24 -0.22 0.00 -0.05 0.00 0.00 57.45 56.91 3ioc n PHE 175 Cb 0.32 -0.00 0.03 0.00 -0.94 0.00 0.00 39.48 38.89 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 1.30 -6.08 -4.74 4.37 4.13 -0.98 -4.93 115.26 108.32 3ioc n ASN 176 Ca 0.17 -0.26 -0.41 0.00 1.68 0.00 0.00 54.58 55.76 3ioc n ASN 176 Cb 0.55 -4.93 -0.03 0.00 -1.54 0.00 0.00 39.78 33.83 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 -6.63 4.46 -0.98 3.41 1.43 -0.18 -4.93 118.68 115.26 3ioc s LEU 177 Ca 0.28 2.28 -0.16 0.00 -1.03 0.00 0.00 54.13 55.50 3ioc s LEU 177 Cb -0.12 -3.61 0.17 0.00 0.03 0.00 0.00 46.19 42.66 3ioc s LEU 177 CO 0.34 -0.36 1.11 -0.62 0.23 0.00 0.00 176.35 177.04 3ioc s ASP 178 N -0.03 6.82 -0.20 2.29 2.15 -1.26 -4.86 116.67 121.59 3ioc s ASP 178 Ca 0.52 -2.55 -0.28 0.00 0.43 0.00 0.00 52.55 50.67 3ioc s ASP 178 Cb -0.33 -2.34 0.10 0.00 -0.30 0.00 0.00 42.92 40.06 3ioc s ASP 178 CO 0.38 -0.81 0.90 0.54 -0.17 0.00 0.00 175.17 176.01 3ioc s VAL 179 N 1.47 0.00 -0.14 1.11 0.11 -1.26 -4.85 120.40 116.84 3ioc s VAL 179 Ca 0.31 0.00 -0.12 0.00 -2.93 0.00 0.00 61.98 59.25 3ioc s VAL 179 Cb -0.06 -1.00 -0.05 0.00 -1.53 0.00 0.00 36.38 33.74 3ioc s VAL 179 CO -0.07 0.00 0.24 0.00 -3.33 0.00 0.00 175.10 171.94 3ioc s ALA 180 N -0.43 3.69 -0.36 1.54 0.00 -0.00 -4.96 121.76 121.24 3ioc s ALA 180 Ca -0.02 -0.51 -0.14 0.00 0.00 0.00 0.00 51.96 51.29 3ioc s ALA 180 Cb -0.03 -2.25 -0.01 0.00 0.00 0.00 0.00 23.12 20.84 3ioc s ALA 180 CO 0.01 0.28 0.29 0.08 0.00 0.00 0.00 175.76 176.42 3ioc s VAL 181 N -0.11 5.24 -0.32 0.00 1.01 -1.26 0.69 120.40 125.65 3ioc s VAL 181 Ca 0.15 -0.23 -0.10 0.00 0.00 0.00 0.00 61.98 61.80 3ioc s VAL 181 Cb -0.13 -3.80 0.00 0.00 0.00 0.00 0.00 36.38 32.45 3ioc s VAL 181 CO 0.04 -0.11 0.16 -0.69 0.00 0.00 0.00 175.10 174.50 3ioc s VAL 182 N 1.82 4.56 0.02 2.92 1.01 -0.39 -4.96 120.40 125.38 3ioc s VAL 182 Ca 0.08 -0.52 -0.18 0.00 0.00 0.00 0.00 61.98 61.36 3ioc s VAL 182 Cb -0.17 -3.37 -0.06 0.00 0.00 0.00 0.00 36.38 32.78 3ioc s VAL 182 CO 0.11 0.01 0.53 -0.83 0.00 0.00 0.00 175.10 174.92 3ioc s GLY 183 N 1.60 2.59 -0.12 4.51 0.00 -1.26 -1.77 107.32 112.86 3ioc s GLY 183 Ca 0.04 -0.04 0.00 0.00 0.00 0.00 0.00 44.72 44.72 3ioc s GLY 183 CO 0.06 0.49 -0.14 0.14 0.00 0.00 0.00 173.10 173.65 3ioc s VAL 184 N -0.73 3.01 0.53 1.40 1.01 0.18 -4.86 120.40 120.94 3ioc s VAL 184 Ca 0.28 -0.68 -0.21 0.00 0.00 0.00 0.00 61.98 61.37 3ioc s VAL 184 Cb -0.18 -2.26 -0.06 0.00 0.00 0.00 0.00 36.38 33.89 3ioc s VAL 184 CO 0.16 0.53 1.22 -2.16 0.00 0.00 0.00 175.10 174.85 3ioc s PRO 185 N 0.30 3.35 0.59 2.72 0.04 -1.26 0.15 135.00 140.89 3ioc s PRO 185 Ca -0.10 1.88 -0.19 0.00 0.04 0.00 0.00 61.00 62.63 3ioc s PRO 185 Cb -0.16 -2.19 -0.05 0.00 0.04 0.00 0.00 34.50 32.13 3ioc s PRO 185 CO 0.06 -0.91 0.96 2.41 0.04 0.00 0.00 177.00 179.55 3ioc n THR 186 N -1.01 3.55 -4.59 1.26 -1.04 -1.26 -4.72 114.28 106.48 3ioc n THR 186 Ca 0.10 -0.50 -0.33 0.00 -2.04 0.00 0.00 64.05 61.28 3ioc n THR 186 Cb 0.48 -1.14 -0.12 0.00 -1.82 0.00 0.00 70.33 67.72 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 -1.50 3.59 0.05 12.58 1.01 -1.26 -5.05 120.40 129.82 3ioc s VAL 187 Ca 0.74 -0.48 0.09 0.00 0.00 0.00 0.00 61.98 62.33 3ioc s VAL 187 Cb -0.43 -2.52 -0.03 0.00 0.00 0.00 0.00 36.38 33.40 3ioc s VAL 187 CO 0.48 0.54 -0.24 -0.13 0.00 0.00 0.00 175.10 175.75 3ioc s ARG 188 N -0.06 1.60 0.97 2.72 0.52 -1.26 -1.27 118.95 122.18 3ioc s ARG 188 Ca -0.00 -1.08 -0.12 0.00 -0.52 0.00 0.00 55.73 54.02 3ioc s ARG 188 Cb -0.13 -1.79 0.17 0.00 0.52 0.00 0.00 34.95 33.72 3ioc s ARG 188 CO 0.03 0.46 1.09 -1.21 0.02 0.00 0.00 175.30 175.68 3ioc s GLU 189 N -1.31 0.64 0.54 3.54 0.41 -0.34 -4.83 118.70 117.36 3ioc s GLU 189 Ca 0.10 0.92 0.22 0.00 -0.41 0.00 0.00 54.97 55.80 3ioc s GLU 189 Cb -0.10 -1.73 1.44 0.00 -1.78 0.00 0.00 34.13 31.97 3ioc s GLU 189 CO 0.02 -2.69 2.13 0.00 -0.49 0.00 0.00 175.26 174.23 3ioc h ALA 190 N -1.88 1.99 -0.00 5.21 0.00 -2.01 0.37 119.26 122.94 3ioc h ALA 190 Ca -0.52 -0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.39 3ioc h ALA 190 Cb 1.30 0.01 0.00 0.00 0.00 0.00 0.00 17.79 19.10 3ioc h ALA 190 CO 0.52 -0.17 -0.08 -0.40 0.00 0.00 0.00 179.25 179.11 3ioc n ASP 191 N -4.28 0.24 0.00 0.00 5.75 -1.26 -4.94 116.55 112.05 3ioc n ASP 191 Ca 0.00 -0.25 0.00 0.00 -0.01 0.00 0.00 54.79 54.53 3ioc n ASP 191 Cb 0.22 -0.18 0.00 0.00 -1.03 0.00 0.00 41.12 40.13 3ioc n ASP 191 CO 0.00 0.00 0.00 0.61 -0.11 0.00 0.00 177.20 177.70 3ioc n GLY 192 N 1.33 0.80 3.72 6.12 0.00 0.13 -4.94 105.19 112.34 3ioc n GLY 192 Ca 0.13 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.73 3ioc n GLY 192 CO 0.00 0.00 0.00 -2.27 0.00 0.00 0.00 173.32 171.05 3ioc s LEU 193 N 0.00 4.37 0.09 0.99 2.96 -1.26 -4.66 118.68 121.17 3ioc s LEU 193 Ca 0.00 2.81 -0.31 0.00 -0.22 0.00 0.00 54.13 56.41 3ioc s LEU 193 Cb 0.00 -3.60 -0.08 0.00 0.50 0.00 0.00 46.19 43.01 3ioc s LEU 193 CO 0.00 -0.94 1.53 0.00 -1.32 0.00 0.00 176.35 175.62 3ioc s ALA 194 N 1.24 3.67 0.17 5.97 0.00 -1.26 -1.19 121.76 130.36 3ioc s ALA 194 Ca 0.74 1.18 -0.32 0.00 0.00 0.00 0.00 51.96 53.56 3ioc s ALA 194 Cb -0.48 -3.63 -0.12 0.00 0.00 0.00 0.00 23.12 18.89 3ioc s ALA 194 CO 0.32 -0.88 1.75 -1.33 0.00 0.00 0.00 175.76 175.62 3ioc n MET 195 N 4.78 2.73 -3.75 0.00 2.81 -0.39 -4.89 117.12 118.40 3ioc n MET 195 Ca 0.14 0.99 -0.12 0.00 -1.81 0.00 0.00 57.70 56.90 3ioc n MET 195 Cb 0.41 -2.84 -0.07 0.00 -0.71 0.00 0.00 33.22 30.00 3ioc n MET 195 CO 0.00 0.00 0.00 0.45 1.51 0.00 0.00 175.97 177.93 3ioc s SER 196 N 1.67 -0.13 0.10 7.83 0.15 -1.26 -4.93 113.70 117.13 3ioc s SER 196 Ca 0.78 -0.15 -0.22 0.00 0.70 0.00 0.00 55.95 57.05 3ioc s SER 196 Cb -0.51 0.35 -0.13 0.00 -1.71 0.00 0.00 66.02 64.02 3ioc s SER 196 CO 0.34 -0.59 1.75 0.77 1.20 0.00 0.00 173.24 176.71 3ioc h SER 197 N 3.30 0.06 -1.00 5.45 4.64 -1.94 -3.08 113.55 120.98 3ioc h SER 197 Ca -0.31 -0.00 0.29 0.00 -0.47 0.00 0.00 61.79 61.29 3ioc h SER 197 Cb 1.20 -0.01 -0.04 0.00 -0.31 0.00 0.00 62.40 63.23 3ioc h SER 197 CO 0.45 0.04 0.94 0.03 -0.87 0.00 0.00 176.83 177.43 3ioc h ARG 198 N 0.07 0.00 0.00 4.77 -0.00 -1.94 0.17 114.38 117.44 3ioc h ARG 198 Ca 0.02 0.00 0.00 0.00 -0.50 0.00 0.00 59.98 59.50 3ioc h ARG 198 Cb -0.01 0.00 0.00 0.00 0.00 0.00 0.00 29.97 29.96 3ioc h ARG 198 CO -0.00 0.00 0.00 0.09 0.00 0.00 0.00 179.97 180.06 3ioc n ASN 199 N -3.66 0.22 0.35 7.04 3.02 -1.16 -2.20 115.26 118.87 3ioc n ASN 199 Ca 0.22 0.56 -0.18 0.00 -0.03 0.00 0.00 54.58 55.15 3ioc n ASN 199 Cb 1.27 -0.60 -0.09 0.00 -0.61 0.00 0.00 39.78 39.75 3ioc n ASN 199 CO 0.00 0.00 0.00 0.03 -2.62 0.00 0.00 177.26 174.67 3ioc h ARG 200 N 0.00 -0.84 -6.59 3.52 -0.00 -0.86 -3.40 114.38 106.21 3ioc h ARG 200 Ca 0.00 0.06 -0.58 0.00 -0.50 0.00 0.00 59.98 58.96 3ioc h ARG 200 Cb 0.26 0.19 0.17 0.00 0.00 0.00 0.00 29.97 30.59 3ioc h ARG 200 CO 0.00 -0.56 -0.23 2.48 0.00 0.00 0.00 179.97 181.67 3ioc n TYR 201 N -5.47 -0.18 0.00 3.04 -0.00 -0.93 -4.89 117.16 108.73 3ioc n TYR 201 Ca -0.13 0.45 0.00 0.00 -0.00 0.00 0.00 57.90 58.22 3ioc n TYR 201 Cb 0.35 -2.02 0.00 0.00 -0.00 0.00 0.00 39.34 37.68 3ioc n TYR 201 CO 0.00 0.00 0.00 1.28 -0.00 0.00 0.00 176.86 178.14 3ioc n LEU 202 N 0.17 0.00 -4.73 -3.48 4.77 -1.26 -4.98 117.00 107.49 3ioc n LEU 202 Ca 0.12 0.00 -0.35 0.00 -0.03 0.00 0.00 56.01 55.75 3ioc n LEU 202 Cb 0.47 0.00 0.08 0.00 -2.33 0.00 0.00 43.42 41.63 3ioc n LEU 202 CO 0.51 0.00 0.84 1.51 -1.33 0.00 0.00 177.39 178.92 3ioc s ASP 203 N 0.00 4.47 0.00 -1.43 -4.77 -1.26 -4.49 116.67 109.19 3ioc s ASP 203 Ca 0.00 2.45 0.00 0.00 -3.30 0.00 0.00 52.55 51.70 3ioc s ASP 203 Cb 0.00 -2.60 0.00 0.00 -1.09 0.00 0.00 42.92 39.23 3ioc s ASP 203 CO 0.00 -2.08 0.69 -0.81 0.70 0.00 0.00 175.17 173.67 3ioc n PRO 204 N -2.28 0.00 0.00 2.11 -0.04 -1.26 0.13 135.00 133.65 3ioc n PRO 204 Ca 0.14 0.23 0.00 0.00 -0.04 0.00 0.00 63.50 63.83 3ioc n PRO 204 Cb 0.49 -1.54 0.00 0.00 -0.04 0.00 0.00 33.50 32.41 3ioc n PRO 204 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 3ioc n ALA 205 N -1.19 0.00 -0.46 0.55 0.00 -1.26 -3.05 120.51 115.09 3ioc n ALA 205 Ca 0.00 0.00 0.39 0.00 0.00 0.00 0.00 53.44 53.83 3ioc n ALA 205 Cb 0.04 0.00 0.67 0.00 0.00 0.00 0.00 19.45 20.16 3ioc n ALA 205 CO 0.00 0.00 0.00 1.96 0.00 0.00 0.00 177.50 179.46 3ioc h GLN 206 N 0.00 0.04 0.07 0.00 4.20 -1.57 -2.33 115.11 115.52 3ioc h GLN 206 Ca 0.00 -0.00 -0.25 0.00 0.06 0.00 0.00 58.65 58.46 3ioc h GLN 206 Cb 0.00 -0.01 -0.01 0.00 0.30 0.00 0.00 27.48 27.76 3ioc h GLN 206 CO 0.00 0.02 -1.15 -0.09 -0.67 0.00 0.00 178.83 176.94 3ioc h ARG 207 N 0.04 0.15 -0.04 1.46 9.65 0.83 -0.42 114.38 126.06 3ioc h ARG 207 Ca 0.86 -0.26 -0.11 0.00 -1.10 0.00 0.00 59.98 59.36 3ioc h ARG 207 Cb 2.72 0.10 -0.01 0.00 -1.39 0.00 0.00 29.97 31.39 3ioc h ARG 207 CO -0.46 1.12 -0.49 0.00 2.80 0.00 0.00 179.97 182.94 3ioc h ALA 208 N 0.76 1.11 0.00 2.80 0.00 -1.35 -2.93 119.26 119.65 3ioc h ALA 208 Ca -0.09 -0.46 -0.05 0.00 0.00 0.00 0.00 54.91 54.32 3ioc h ALA 208 Cb 1.89 -0.08 -0.01 0.00 0.00 0.00 0.00 17.79 19.59 3ioc h ALA 208 CO 0.17 0.63 -0.22 0.00 0.00 0.00 0.00 179.25 179.83 3ioc h ALA 209 N 1.43 1.07 0.00 0.00 0.00 -1.30 -3.29 119.26 117.17 3ioc h ALA 209 Ca 0.00 -0.20 -0.00 0.00 0.00 0.00 0.00 54.91 54.70 3ioc h ALA 209 Cb 0.90 -0.04 -0.00 0.00 0.00 0.00 0.00 17.79 18.65 3ioc h ALA 209 CO 0.07 0.28 -0.01 0.00 0.00 0.00 0.00 179.25 179.59 3ioc h ALA 210 N 1.78 1.28 0.00 0.00 0.00 -0.87 -1.78 119.26 119.66 3ioc h ALA 210 Ca -0.00 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.89 3ioc h ALA 210 Cb 0.68 -0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.46 3ioc h ALA 210 CO 0.03 0.02 0.00 1.55 0.00 0.00 0.00 179.25 180.85 3ioc n VAL 211 N -3.51 0.93 -0.01 0.00 3.14 -1.24 -2.86 118.33 114.78 3ioc n VAL 211 Ca -0.03 0.24 0.03 0.00 -2.96 0.00 0.00 64.34 61.62 3ioc n VAL 211 Cb 0.10 -1.07 0.39 0.00 -1.06 0.00 0.00 33.84 32.21 3ioc n VAL 211 CO 0.00 0.00 0.00 0.00 -6.46 0.00 0.00 176.83 170.37 3ioc h ALA 212 N 2.40 1.64 0.79 1.55 0.00 -1.59 -1.69 119.26 122.35 3ioc h ALA 212 Ca 0.00 -0.06 -0.04 0.00 0.00 0.00 0.00 54.91 54.81 3ioc h ALA 212 Cb 0.30 -0.17 0.00 0.00 0.00 0.00 0.00 17.79 17.92 3ioc h ALA 212 CO 0.00 0.31 -0.43 -0.07 0.00 0.00 0.00 179.25 179.06 3ioc h LEU 213 N 0.56 -1.07 -1.14 0.00 4.07 -1.77 0.57 115.31 116.53 3ioc h LEU 213 Ca 0.15 0.05 -0.08 0.00 0.08 0.00 0.00 57.88 58.07 3ioc h LEU 213 Cb 0.01 0.30 -0.01 0.00 1.08 0.00 0.00 40.66 42.03 3ioc h LEU 213 CO -0.03 -0.70 -0.31 0.77 -1.08 0.00 0.00 178.44 177.10 3ioc h SER 214 N -1.13 0.20 -0.57 -0.43 4.64 -1.76 -1.67 113.55 112.83 3ioc h SER 214 Ca -0.11 -0.07 -0.07 0.00 -0.47 0.00 0.00 61.79 61.07 3ioc h SER 214 Cb 0.89 -0.06 -0.02 0.00 -0.31 0.00 0.00 62.40 62.90 3ioc h SER 214 CO 0.14 0.52 0.08 0.00 -0.87 0.00 0.00 176.83 176.70 3ioc h ALA 215 N 1.50 0.76 -0.60 5.18 0.00 -1.11 -0.22 119.26 124.77 3ioc h ALA 215 Ca 0.02 -0.26 -0.07 0.00 0.00 0.00 0.00 54.91 54.61 3ioc h ALA 215 Cb 0.65 -0.22 -0.03 0.00 0.00 0.00 0.00 17.79 18.20 3ioc h ALA 215 CO 0.05 0.52 0.11 0.00 0.00 0.00 0.00 179.25 179.93 3ioc h ALA 216 N 1.00 1.06 -0.45 0.00 0.00 -0.45 -0.04 119.26 120.38 3ioc h ALA 216 Ca 0.17 -0.24 -0.07 0.00 0.00 0.00 0.00 54.91 54.77 3ioc h ALA 216 Cb 0.43 -0.23 -0.02 0.00 0.00 0.00 0.00 17.79 17.97 3ioc h ALA 216 CO 0.01 0.61 0.01 -0.07 0.00 0.00 0.00 179.25 179.82 3ioc h LEU 217 N 0.91 0.77 -0.26 0.00 3.38 -1.05 -1.10 115.31 117.96 3ioc h LEU 217 Ca 0.19 -0.30 -0.16 0.00 0.09 0.00 0.00 57.88 57.69 3ioc h LEU 217 Cb 0.38 -0.21 -0.02 0.00 0.09 0.00 0.00 40.66 40.90 3ioc h LEU 217 CO 0.01 0.88 -0.78 0.71 0.09 0.00 0.00 178.44 179.34 3ioc h THR 218 N 0.64 1.46 -0.13 0.22 1.35 -0.60 -1.38 112.91 114.47 3ioc h THR 218 Ca 0.13 -2.78 -0.01 0.00 -0.55 0.00 0.00 66.41 63.19 3ioc h THR 218 Cb 0.48 2.54 -0.01 0.00 -1.73 0.00 0.00 68.15 69.43 3ioc h THR 218 CO 0.02 0.77 0.03 0.00 -0.25 0.00 0.00 175.52 176.09 3ioc h ALA 219 N 1.22 0.18 -0.97 6.62 0.00 -0.94 -2.36 119.26 123.00 3ioc h ALA 219 Ca -0.01 -0.14 0.05 0.00 0.00 0.00 0.00 54.91 54.81 3ioc h ALA 219 Cb 1.48 -0.05 -0.06 0.00 0.00 0.00 0.00 17.79 19.16 3ioc h ALA 219 CO 0.10 -0.19 0.63 0.00 0.00 0.00 0.00 179.25 179.79 3ioc h ALA 220 N 0.83 1.32 -0.23 0.00 0.00 -0.96 0.20 119.26 120.42 3ioc h ALA 220 Ca 0.04 -0.03 -0.06 0.00 0.00 0.00 0.00 54.91 54.87 3ioc h ALA 220 Cb 0.26 -0.31 -0.01 0.00 0.00 0.00 0.00 17.79 17.73 3ioc h ALA 220 CO 0.00 0.45 -0.11 0.00 0.00 0.00 0.00 179.25 179.58 3ioc h ALA 221 N 1.43 1.39 0.07 0.00 0.00 -1.10 -2.29 119.26 118.76 3ioc h ALA 221 Ca 0.41 -0.23 -0.26 0.00 0.00 0.00 0.00 54.91 54.82 3ioc h ALA 221 Cb 0.11 -0.11 -0.02 0.00 0.00 0.00 0.00 17.79 17.77 3ioc h ALA 221 CO -0.16 0.42 -1.29 0.45 0.00 0.00 0.00 179.25 178.68 3ioc h HIS 222 N 0.34 0.28 0.00 0.00 3.86 -0.20 -3.28 115.15 116.14 3ioc h HIS 222 Ca 0.07 -0.20 0.00 0.00 -1.16 0.00 0.00 60.37 59.08 3ioc h HIS 222 Cb 0.42 -0.01 0.00 0.00 1.06 0.00 0.00 27.41 28.87 3ioc h HIS 222 CO 0.01 1.19 0.00 0.00 0.86 0.00 0.00 177.93 179.99 3ioc n ALA 223 N -2.51 1.88 0.29 2.45 0.00 0.41 -3.83 120.51 119.19 3ioc n ALA 223 Ca -0.09 -0.01 0.18 0.00 0.00 0.00 0.00 53.44 53.53 3ioc n ALA 223 Cb 1.00 -1.37 0.83 0.00 0.00 0.00 0.00 19.45 19.91 3ioc n ALA 223 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 3ioc h ALA 224 N 2.50 1.04 -0.91 0.00 0.00 -1.48 0.70 119.26 121.12 3ioc h ALA 224 Ca 0.00 -0.03 0.19 0.00 0.00 0.00 0.00 54.91 55.07 3ioc h ALA 224 Cb 0.42 -0.01 -0.07 0.00 0.00 0.00 0.00 17.79 18.13 3ioc h ALA 224 CO 0.00 0.04 0.59 1.79 0.00 0.00 0.00 179.25 181.67 3ioc h THR 225 N 0.00 0.72 -0.06 0.00 1.35 -1.77 0.44 112.91 113.59 3ioc h THR 225 Ca -0.00 -0.17 0.00 0.00 -0.55 0.00 0.00 66.41 65.69 3ioc h THR 225 Cb 0.36 0.17 0.00 0.00 -1.73 0.00 0.00 68.15 66.95 3ioc h THR 225 CO 0.00 0.09 0.00 0.00 -0.25 0.00 0.00 175.52 175.37 3ioc n ALA 226 N -2.48 2.52 0.00 6.62 0.00 0.24 -4.20 120.51 123.21 3ioc n ALA 226 Ca 0.19 -0.15 0.00 0.00 0.00 0.00 0.00 53.44 53.48 3ioc n ALA 226 Cb 0.63 -1.09 0.00 0.00 0.00 0.00 0.00 19.45 19.00 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 0.70 2.39 0.38 0.00 0.00 0.15 -4.45 105.19 104.37 3ioc n GLY 227 Ca 0.07 -1.84 -0.02 0.00 0.00 0.00 0.00 46.02 44.23 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 0.10 -0.75 4.61 0.00 -1.91 -1.78 119.26 119.54 3ioc h ALA 228 Ca 0.00 0.26 0.07 0.00 0.00 0.00 0.00 54.91 55.23 3ioc h ALA 228 Cb 0.00 1.01 -0.05 0.00 0.00 0.00 0.00 17.79 18.76 3ioc h ALA 228 CO 0.00 -0.65 0.49 0.37 0.00 0.00 0.00 179.25 179.46 3ioc h GLN 229 N -0.02 0.76 0.00 0.00 5.75 -1.96 -1.68 115.11 117.96 3ioc h GLN 229 Ca 0.33 -0.05 -0.12 0.00 -0.15 0.00 0.00 58.65 58.66 3ioc h GLN 229 Cb 0.58 -0.17 -0.02 0.00 1.07 0.00 0.00 27.48 28.95 3ioc h GLN 229 CO -0.96 0.50 -0.59 0.00 -2.65 0.00 0.00 178.83 175.14 3ioc h ALA 230 N 1.60 0.89 -0.04 3.38 0.00 -1.57 -2.76 119.26 120.76 3ioc h ALA 230 Ca 0.32 -0.53 -0.14 0.00 0.00 0.00 0.00 54.91 54.56 3ioc h ALA 230 Cb 0.26 -0.09 -0.01 0.00 0.00 0.00 0.00 17.79 17.94 3ioc h ALA 230 CO -0.11 0.73 -0.62 0.00 0.00 0.00 0.00 179.25 179.25 3ioc h ALA 231 N 1.41 0.88 0.02 0.00 0.00 -0.59 -0.64 119.26 120.34 3ioc h ALA 231 Ca -0.01 -0.56 -0.07 0.00 0.00 0.00 0.00 54.91 54.27 3ioc h ALA 231 Cb 1.14 -0.09 -0.01 0.00 0.00 0.00 0.00 17.79 18.83 3ioc h ALA 231 CO 0.08 0.76 -0.37 -0.07 0.00 0.00 0.00 179.25 179.64 3ioc h LEU 232 N 0.10 0.05 -0.47 0.00 3.38 -1.36 -2.74 115.31 114.28 3ioc h LEU 232 Ca -0.01 -0.89 0.09 0.00 0.09 0.00 0.00 57.88 57.16 3ioc h LEU 232 Cb 1.12 -0.02 -0.08 0.00 0.09 0.00 0.00 40.66 41.78 3ioc h LEU 232 CO 0.09 1.15 -0.01 0.44 0.09 0.00 0.00 178.44 180.21 3ioc h ASP 233 N -0.92 -0.21 -0.48 -0.43 3.32 -1.52 0.68 116.42 116.86 3ioc h ASP 233 Ca -0.09 0.11 0.08 0.00 0.02 0.00 0.00 57.03 57.15 3ioc h ASP 233 Cb 1.14 0.20 -0.10 0.00 0.22 0.00 0.00 39.33 40.80 3ioc h ASP 233 CO -0.03 -0.07 -0.40 0.00 -1.72 0.00 0.00 179.24 177.03 3ioc h ALA 234 N 1.42 -0.29 -0.53 3.45 0.00 -1.17 0.61 119.26 122.75 3ioc h ALA 234 Ca 0.23 0.10 -0.05 0.00 0.00 0.00 0.00 54.91 55.20 3ioc h ALA 234 Cb 0.35 0.86 -0.02 0.00 0.00 0.00 0.00 17.79 18.98 3ioc h ALA 234 CO -0.39 -0.80 0.15 0.00 0.00 0.00 0.00 179.25 178.21 3ioc h ALA 235 N 0.63 0.70 -0.50 0.00 0.00 -0.97 -1.16 119.26 117.96 3ioc h ALA 235 Ca 0.17 -0.20 -0.09 0.00 0.00 0.00 0.00 54.91 54.80 3ioc h ALA 235 Cb 0.57 -0.20 -0.02 0.00 0.00 0.00 0.00 17.79 18.13 3ioc h ALA 235 CO -0.62 0.37 -0.03 -0.09 0.00 0.00 0.00 179.25 178.88 3ioc h ARG 236 N 0.74 0.87 -0.90 0.00 9.65 0.14 -1.61 114.38 123.27 3ioc h ARG 236 Ca 0.17 -0.26 0.00 0.00 -1.10 0.00 0.00 59.98 58.79 3ioc h ARG 236 Cb 0.30 -0.09 -0.04 0.00 -1.39 0.00 0.00 29.97 28.75 3ioc h ARG 236 CO -0.00 0.89 0.57 0.00 2.80 0.00 0.00 179.97 184.23 3ioc h ALA 237 N 1.16 1.32 -0.26 2.80 0.00 0.68 -1.31 119.26 123.65 3ioc h ALA 237 Ca 0.15 -0.08 -0.08 0.00 0.00 0.00 0.00 54.91 54.90 3ioc h ALA 237 Cb 0.52 -0.36 -0.01 0.00 0.00 0.00 0.00 17.79 17.94 3ioc h ALA 237 CO 0.03 0.61 -0.15 0.28 0.00 0.00 0.00 179.25 180.02 3ioc h VAL 238 N 1.23 1.30 -0.58 0.00 2.07 -0.27 -2.81 116.25 117.20 3ioc h VAL 238 Ca 0.33 -1.25 -0.07 0.00 0.82 0.00 0.00 66.70 66.52 3ioc h VAL 238 Cb -0.11 1.56 -0.02 0.00 -1.52 0.00 0.00 31.29 31.20 3ioc h VAL 238 CO -0.07 0.39 0.08 -0.07 0.02 0.00 0.00 177.57 177.93 3ioc h LEU 239 N 0.29 0.93 -2.03 2.57 3.38 -1.18 -2.35 115.31 116.91 3ioc h LEU 239 Ca 0.05 -0.27 0.09 0.00 0.09 0.00 0.00 57.88 57.85 3ioc h LEU 239 Cb 0.67 -0.25 -0.01 0.00 0.09 0.00 0.00 40.66 41.16 3ioc h LEU 239 CO 0.04 0.96 0.23 0.44 0.09 0.00 0.00 178.44 180.20 3ioc h ASP 240 N 0.86 0.00 -0.38 -0.43 3.32 -1.29 -1.83 116.42 116.67 3ioc h ASP 240 Ca 0.17 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.22 3ioc h ASP 240 Cb 0.43 0.00 0.00 0.00 0.22 0.00 0.00 39.33 39.98 3ioc h ASP 240 CO 0.01 0.00 0.00 0.00 -1.72 0.00 0.00 179.24 177.53 3ioc n ALA 241 N -2.56 2.45 -3.18 3.45 0.00 -0.89 -4.85 120.51 114.93 3ioc n ALA 241 Ca 0.04 -0.73 -0.36 0.00 0.00 0.00 0.00 53.44 52.39 3ioc n ALA 241 Cb 0.40 -0.98 -0.13 0.00 0.00 0.00 0.00 19.45 18.73 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 -1.50 3.06 -0.24 0.00 0.00 -0.69 -5.07 121.76 117.32 3ioc s ALA 242 Ca 0.31 -1.12 -0.29 0.00 0.00 0.00 0.00 51.96 50.86 3ioc s ALA 242 Cb 0.16 -1.94 -0.06 0.00 0.00 0.00 0.00 23.12 21.28 3ioc s ALA 242 CO 0.22 -0.43 2.23 -0.35 0.00 0.00 0.00 175.76 177.43 3ioc n PRO 243 N 4.80 1.83 -2.55 0.00 -0.04 -1.26 -3.14 135.00 134.64 3ioc n PRO 243 Ca -0.17 0.49 -0.04 0.00 -0.04 0.00 0.00 63.50 63.75 3ioc n PRO 243 Cb 0.51 -3.14 0.01 0.00 -0.04 0.00 0.00 33.50 30.84 3ioc n PRO 243 CO 0.00 0.00 0.00 0.41 -0.04 0.00 0.00 175.50 175.87 3ioc n GLY 244 N 5.89 0.61 3.24 0.55 0.00 -1.26 -4.87 105.19 109.35 3ioc n GLY 244 Ca 0.32 -0.57 -0.35 0.00 0.00 0.00 0.00 46.02 45.41 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 -2.86 3.13 -0.30 1.61 1.01 -1.19 -4.55 120.40 117.25 3ioc s VAL 245 Ca 0.07 -0.93 -0.09 0.00 0.00 0.00 0.00 61.98 61.03 3ioc s VAL 245 Cb -0.03 -2.59 -0.01 0.00 0.00 0.00 0.00 36.38 33.75 3ioc s VAL 245 CO 0.09 0.18 0.14 0.00 0.00 0.00 0.00 175.10 175.51 3ioc s ALA 246 N 1.37 3.26 0.03 5.51 0.00 -0.82 -4.95 121.76 126.16 3ioc s ALA 246 Ca 0.01 -1.36 -0.30 0.00 0.00 0.00 0.00 51.96 50.31 3ioc s ALA 246 Cb -0.17 -2.35 -0.04 0.00 0.00 0.00 0.00 23.12 20.57 3ioc s ALA 246 CO -0.03 -0.86 1.10 0.08 0.00 0.00 0.00 175.76 176.06 3ioc s VAL 247 N 1.61 4.42 -0.15 0.00 1.01 -1.26 -0.47 120.40 125.55 3ioc s VAL 247 Ca 0.05 1.73 -0.25 0.00 0.00 0.00 0.00 61.98 63.51 3ioc s VAL 247 Cb -0.17 -4.11 -0.24 0.00 0.00 0.00 0.00 36.38 31.86 3ioc s VAL 247 CO 0.06 0.13 0.57 0.44 0.00 0.00 0.00 175.10 176.29 3ioc h ASP 248 N 6.83 0.06 -5.06 3.32 3.32 -0.59 -3.47 116.42 120.83 3ioc h ASP 248 Ca -0.41 -0.81 -0.09 0.00 0.02 0.00 0.00 57.03 55.73 3ioc h ASP 248 Cb 1.21 -0.02 -0.17 0.00 0.22 0.00 0.00 39.33 40.58 3ioc h ASP 248 CO 0.79 1.25 -0.27 -0.72 -1.72 0.00 0.00 179.24 178.57 3ioc s TYR 249 N -2.30 -0.07 -0.11 4.55 -0.85 -0.93 -4.99 117.35 112.64 3ioc s TYR 249 Ca -0.22 -0.10 -0.04 0.00 -0.52 0.00 0.00 57.07 56.19 3ioc s TYR 249 Cb 0.01 0.08 0.05 0.00 0.38 0.00 0.00 41.96 42.48 3ioc s TYR 249 CO 0.67 -0.51 0.12 -1.17 -1.52 0.00 0.00 175.55 173.14 3ioc s LEU 250 N -2.15 0.10 -0.06 -3.49 2.96 -1.26 -2.45 118.68 112.33 3ioc s LEU 250 Ca -0.04 -0.09 -0.05 0.00 -0.22 0.00 0.00 54.13 53.73 3ioc s LEU 250 Cb -0.00 0.02 0.02 0.00 0.50 0.00 0.00 46.19 46.73 3ioc s LEU 250 CO -0.04 -0.29 0.17 -1.61 -1.32 0.00 0.00 176.35 173.26 3ioc s GLU 251 N 2.22 0.18 -0.18 1.98 2.02 -0.15 -4.97 118.70 119.79 3ioc s GLU 251 Ca 0.04 0.26 -0.04 0.00 0.02 0.00 0.00 54.97 55.26 3ioc s GLU 251 Cb -0.14 0.05 -0.02 0.00 0.10 0.00 0.00 34.13 34.12 3ioc s GLU 251 CO -0.07 -0.05 -0.04 -1.17 0.02 0.00 0.00 175.26 173.95 3ioc s LEU 252 N 0.29 3.08 0.16 1.80 2.96 -1.26 -0.58 118.68 125.12 3ioc s LEU 252 Ca -0.02 -0.25 -0.02 0.00 -0.22 0.00 0.00 54.13 53.62 3ioc s LEU 252 Cb -0.03 -1.76 -0.04 0.00 0.50 0.00 0.00 46.19 44.87 3ioc s LEU 252 CO -0.01 0.08 0.11 -0.13 -1.32 0.00 0.00 176.35 175.08 3ioc s ARG 253 N 0.88 1.05 0.92 1.98 0.52 0.17 -4.63 118.95 119.83 3ioc s ARG 253 Ca -0.01 -1.46 -0.12 0.00 -0.52 0.00 0.00 55.73 53.62 3ioc s ARG 253 Cb -0.15 0.27 0.14 0.00 0.52 0.00 0.00 34.95 35.74 3ioc s ARG 253 CO 0.01 -0.33 1.09 0.34 0.02 0.00 0.00 175.30 176.44 3ioc s ASP 254 N -3.07 3.32 0.54 0.23 -1.08 -0.42 0.63 116.67 116.82 3ioc s ASP 254 Ca 0.28 1.37 0.30 0.00 -0.52 0.00 0.00 52.55 53.98 3ioc s ASP 254 Cb 0.07 -2.05 1.52 0.00 -1.46 0.00 0.00 42.92 41.00 3ioc s ASP 254 CO 0.05 -2.72 2.08 0.16 0.52 0.00 0.00 175.17 175.26 3ioc h ILE 255 N -1.61 0.41 -0.50 4.11 3.07 -1.85 -0.45 117.51 120.69 3ioc h ILE 255 Ca -0.51 -0.51 0.00 0.00 1.55 0.00 0.00 64.86 65.39 3ioc h ILE 255 Cb 1.30 1.36 0.00 0.00 -0.27 0.00 0.00 36.82 39.21 3ioc h ILE 255 CO 0.56 0.09 0.00 0.61 -1.05 0.00 0.00 178.15 178.36 3ioc n GLY 256 N -0.56 1.71 2.52 0.16 0.00 -1.26 -4.92 105.19 102.83 3ioc n GLY 256 Ca -0.01 -0.59 -0.10 0.00 0.00 0.00 0.00 46.02 45.32 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 0.90 -0.45 0.00 0.99 4.77 -0.18 -5.05 117.00 117.98 3ioc n LEU 257 Ca 0.18 0.24 -0.00 0.00 -0.03 0.00 0.00 56.01 56.40 3ioc n LEU 257 Cb 0.55 -2.06 0.00 0.00 -2.33 0.00 0.00 43.42 39.58 3ioc n LEU 257 CO 0.15 -0.74 0.00 0.61 -1.33 0.00 0.00 177.39 176.08 3ioc n GLY 258 N -0.85 -1.75 0.00 -0.72 0.00 -1.26 -4.78 105.19 95.83 3ioc n GLY 258 Ca -0.10 -1.57 0.00 0.00 0.00 0.00 0.00 46.02 44.36 3ioc n GLY 258 CO 0.00 0.00 0.00 -1.05 0.00 0.00 0.00 173.32 172.27 3ioc n PRO 259 N -1.24 0.00 -3.54 1.61 -0.02 -1.26 -1.30 135.00 129.25 3ioc n PRO 259 Ca 0.00 0.00 -0.27 0.00 -2.02 0.00 0.00 63.50 61.21 3ioc n PRO 259 Cb 0.00 0.00 -0.15 0.00 -0.02 0.00 0.00 33.50 33.33 3ioc n PRO 259 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 3ioc s MET 260 N 0.00 0.18 0.00 -0.52 0.23 -1.26 -4.08 119.30 113.85 3ioc s MET 260 Ca 0.00 -0.37 0.00 0.00 -1.03 0.00 0.00 55.69 54.29 3ioc s MET 260 Cb 0.00 -1.23 0.00 0.00 -1.53 0.00 0.00 34.83 32.07 3ioc s MET 260 CO 0.00 -0.94 0.00 -0.35 -2.03 0.00 0.00 175.02 171.70 3ioc n PRO 261 N 5.26 0.00 0.00 3.16 -0.04 -1.26 -4.47 135.00 137.65 3ioc n PRO 261 Ca -0.06 0.00 0.00 0.00 -0.04 0.00 0.00 63.50 63.40 3ioc n PRO 261 Cb 0.44 -0.49 0.00 0.00 -0.04 0.00 0.00 33.50 33.41 3ioc n PRO 261 CO 0.00 0.00 0.00 1.47 -0.04 0.00 0.00 175.50 176.93 3ioc n LEU 262 N 0.82 0.00 -0.98 1.53 -0.00 -1.26 -0.99 117.00 116.12 3ioc n LEU 262 Ca 0.00 0.00 -0.05 0.00 -0.00 0.00 0.00 56.01 55.96 3ioc n LEU 262 Cb 0.00 0.00 -0.05 0.00 -0.00 0.00 0.00 43.42 43.37 3ioc n LEU 262 CO 0.00 0.00 0.30 -3.20 -0.00 0.00 0.00 177.39 174.49 3ioc n ASN 263 N 3.18 -0.82 -0.10 1.45 5.15 -1.26 -5.07 115.26 117.78 3ioc n ASN 263 Ca 0.00 -1.62 -0.19 0.00 -0.60 0.00 0.00 54.58 52.16 3ioc n ASN 263 Cb 0.00 0.26 -0.06 0.00 -0.53 0.00 0.00 39.78 39.44 3ioc n ASN 263 CO 0.00 0.00 0.00 0.61 1.40 0.00 0.00 177.26 179.27 3ioc n GLY 264 N -0.06 -0.42 0.00 8.20 0.00 -0.16 -4.34 105.19 108.41 3ioc n GLY 264 Ca -0.22 -0.18 0.00 0.00 0.00 0.00 0.00 46.02 45.62 3ioc n GLY 264 CO 0.00 0.00 0.00 -1.26 0.00 0.00 0.00 173.32 172.06 3ioc n SER 265 N -4.17 0.00 0.00 1.61 2.88 -1.25 -3.32 113.62 109.38 3ioc n SER 265 Ca -0.35 0.00 0.00 0.00 -1.33 0.00 0.00 58.87 57.19 3ioc n SER 265 Cb 0.70 0.00 0.00 0.00 -0.75 0.00 0.00 64.21 64.16 3ioc n SER 265 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 3ioc n GLY 266 N -0.27 1.38 3.01 0.46 0.00 0.44 -4.36 105.19 105.86 3ioc n GLY 266 Ca 0.00 -0.32 -0.18 0.00 0.00 0.00 0.00 46.02 45.52 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 1.90 0.66 -0.13 1.61 6.06 0.21 -1.76 118.95 127.49 3ioc s ARG 267 Ca 0.00 -0.30 -0.01 0.00 -2.50 0.00 0.00 55.73 52.92 3ioc s ARG 267 Cb 0.00 -0.63 -0.02 0.00 0.06 0.00 0.00 34.95 34.36 3ioc s ARG 267 CO 0.00 0.17 -0.09 -1.17 -2.50 0.00 0.00 175.30 171.71 3ioc s LEU 268 N -0.22 2.96 -0.01 -0.88 2.96 -0.28 0.44 118.68 123.64 3ioc s LEU 268 Ca 0.03 -0.22 0.04 0.00 -0.22 0.00 0.00 54.13 53.76 3ioc s LEU 268 Cb -0.03 -1.68 -0.01 0.00 0.50 0.00 0.00 46.19 44.97 3ioc s LEU 268 CO -0.00 0.19 -0.12 -0.76 -1.32 0.00 0.00 176.35 174.34 3ioc s LEU 269 N 0.20 1.99 0.00 -0.68 1.02 0.25 -1.45 118.68 120.01 3ioc s LEU 269 Ca -0.05 -0.23 0.01 0.00 0.02 0.00 0.00 54.13 53.88 3ioc s LEU 269 Cb -0.15 -0.66 -0.01 0.00 0.02 0.00 0.00 46.19 45.40 3ioc s LEU 269 CO 0.04 0.14 -0.04 0.54 0.02 0.00 0.00 176.35 177.06 3ioc s VAL 270 N -0.21 0.29 -0.04 -1.59 0.11 0.84 -0.98 120.40 118.81 3ioc s VAL 270 Ca 0.03 -0.27 0.01 0.00 -2.93 0.00 0.00 61.98 58.82 3ioc s VAL 270 Cb -0.06 -0.27 0.02 0.00 -1.53 0.00 0.00 36.38 34.55 3ioc s VAL 270 CO -0.00 0.01 -0.04 0.00 -3.33 0.00 0.00 175.10 171.74 3ioc s ALA 271 N -0.26 0.64 -0.07 1.54 0.00 -1.03 -0.72 121.76 121.87 3ioc s ALA 271 Ca -0.01 -0.04 -0.20 0.00 0.00 0.00 0.00 51.96 51.71 3ioc s ALA 271 Cb -0.03 -0.44 0.04 0.00 0.00 0.00 0.00 23.12 22.70 3ioc s ALA 271 CO -0.00 -0.05 0.47 0.00 0.00 0.00 0.00 175.76 176.17 3ioc s ALA 272 N 1.00 -1.18 -0.06 0.00 0.00 0.35 0.21 121.76 122.08 3ioc s ALA 272 Ca -0.10 0.89 -0.15 0.00 0.00 0.00 0.00 51.96 52.60 3ioc s ALA 272 Cb -0.14 -0.17 -0.05 0.00 0.00 0.00 0.00 23.12 22.75 3ioc s ALA 272 CO -0.00 -0.29 0.39 1.03 0.00 0.00 0.00 175.76 176.89 3ioc s ARG 273 N -0.88 4.06 -0.34 0.00 0.52 0.38 0.45 118.95 123.14 3ioc s ARG 273 Ca -0.09 0.35 0.03 0.00 -0.52 0.00 0.00 55.73 55.49 3ioc s ARG 273 Cb -0.03 -3.31 0.10 0.00 0.52 0.00 0.00 34.95 32.23 3ioc s ARG 273 CO 0.05 0.49 0.07 -0.51 0.02 0.00 0.00 175.30 175.41 3ioc s LEU 274 N -0.40 4.28 0.00 2.53 1.02 -0.19 -1.94 118.68 123.99 3ioc s LEU 274 Ca 0.23 -2.10 0.00 0.00 0.02 0.00 0.00 54.13 52.28 3ioc s LEU 274 Cb -0.15 -1.49 0.00 0.00 0.02 0.00 0.00 46.19 44.57 3ioc s LEU 274 CO 0.11 -0.38 0.00 0.61 0.02 0.00 0.00 176.35 176.70 3ioc n GLY 275 N 4.32 1.23 0.46 -3.19 0.00 -1.26 -2.82 105.19 103.92 3ioc n GLY 275 Ca 0.03 -0.62 0.14 0.00 0.00 0.00 0.00 46.02 45.57 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 0.00 -2.67 2.61 -2.24 -1.26 -4.87 114.28 105.85 3ioc n THR 276 Ca 0.00 -0.24 -0.42 0.00 -2.27 0.00 0.00 64.05 61.12 3ioc n THR 276 Cb 0.00 0.54 -0.03 0.00 -2.10 0.00 0.00 70.33 68.74 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 -2.10 4.07 -0.09 4.28 2.01 -1.13 -5.03 115.64 117.65 3ioc s THR 277 Ca 0.35 0.49 -0.28 0.00 0.31 0.00 0.00 61.69 62.56 3ioc s THR 277 Cb 0.21 -4.73 -0.02 0.00 0.01 0.00 0.00 72.50 67.97 3ioc s THR 277 CO 0.37 -1.43 0.92 -0.60 -0.69 0.00 0.00 174.62 173.20 3ioc s ARG 278 N 4.81 4.44 0.07 4.92 3.52 -1.26 -1.02 118.95 134.43 3ioc s ARG 278 Ca 0.36 1.26 0.08 0.00 -0.13 0.00 0.00 55.73 57.29 3ioc s ARG 278 Cb -0.10 -3.51 -0.04 0.00 -1.56 0.00 0.00 34.95 29.74 3ioc s ARG 278 CO 0.20 -0.20 -0.19 -0.51 -0.81 0.00 0.00 175.30 173.79 3ioc s LEU 279 N 1.62 2.61 0.15 -0.88 1.43 0.17 -4.95 118.68 118.84 3ioc s LEU 279 Ca 0.46 -0.49 0.07 0.00 -1.03 0.00 0.00 54.13 53.13 3ioc s LEU 279 Cb -0.19 -1.51 -0.04 0.00 0.03 0.00 0.00 46.19 44.48 3ioc s LEU 279 CO 0.19 0.22 -0.15 -0.76 0.23 0.00 0.00 176.35 176.09 3ioc s LEU 280 N -1.71 2.46 -0.06 1.79 1.43 -1.26 -0.49 118.68 120.83 3ioc s LEU 280 Ca 0.16 -0.89 -0.29 0.00 -1.03 0.00 0.00 54.13 52.07 3ioc s LEU 280 Cb -0.10 -0.63 0.11 0.00 0.03 0.00 0.00 46.19 45.60 3ioc s LEU 280 CO 0.07 -0.14 0.92 -0.62 0.23 0.00 0.00 176.35 176.81 3ioc s ASP 281 N -2.77 -0.38 0.24 2.29 -1.08 0.10 -4.89 116.67 110.19 3ioc s ASP 281 Ca 0.14 0.16 -0.20 0.00 -0.52 0.00 0.00 52.55 52.13 3ioc s ASP 281 Cb -0.03 0.36 0.03 0.00 -1.46 0.00 0.00 42.92 41.82 3ioc s ASP 281 CO 0.05 -0.53 0.65 0.54 0.52 0.00 0.00 175.17 176.40 3ioc s ASN 282 N -1.99 -0.30 -0.05 -0.34 2.20 -1.26 -0.11 114.94 113.09 3ioc s ASN 282 Ca 0.02 -0.51 -0.25 0.00 -0.94 0.00 0.00 52.86 51.18 3ioc s ASN 282 Cb -0.01 0.67 0.05 0.00 -2.00 0.00 0.00 41.25 39.97 3ioc s ASN 282 CO -0.05 -1.22 0.56 -0.51 -2.94 0.00 0.00 177.10 172.94 3ioc s ILE 283 N -3.89 0.02 0.43 0.54 2.07 -0.53 -5.00 121.20 114.83 3ioc s ILE 283 Ca 0.10 -0.15 -0.25 0.00 -1.41 0.00 0.00 60.65 58.94 3ioc s ILE 283 Cb -0.04 -0.87 -0.10 0.00 0.13 0.00 0.00 42.46 41.58 3ioc s ILE 283 CO 0.02 -0.08 1.24 0.00 -1.91 0.00 0.00 174.94 174.21 3ioc n ALA 284 N 1.11 1.14 -3.66 1.50 0.00 -1.26 -1.12 120.51 118.23 3ioc n ALA 284 Ca -0.20 0.25 -0.13 0.00 0.00 0.00 0.00 53.44 53.36 3ioc n ALA 284 Cb 0.57 -2.24 -0.14 0.00 0.00 0.00 0.00 19.45 17.63 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 -1.22 -0.04 -0.12 0.00 -1.09 -0.72 -4.85 121.20 113.16 3ioc s ILE 285 Ca 0.62 0.15 0.01 0.00 -2.23 0.00 0.00 60.65 59.20 3ioc s ILE 285 Cb -0.51 -0.26 -0.01 0.00 -1.58 0.00 0.00 42.46 40.10 3ioc s ILE 285 CO 0.57 0.06 -0.14 -1.61 -1.23 0.00 0.00 174.94 172.59 3ioc s GLU 286 N 1.06 3.27 -0.15 2.79 8.01 -1.26 -0.42 118.70 132.00 3ioc s GLU 286 Ca -0.08 -0.71 -0.22 0.00 0.01 0.00 0.00 54.97 53.97 3ioc s GLU 286 Cb -0.10 -2.58 -0.03 0.00 -4.31 0.00 0.00 34.13 27.12 3ioc s GLU 286 CO -0.06 0.25 0.69 0.42 0.01 0.00 0.00 175.26 176.57 3ioc s ILE 287 N 0.25 5.01 0.00 -1.63 -1.09 -1.21 -4.39 121.20 118.13 3ioc s ILE 287 Ca -0.10 1.34 0.00 0.00 -2.23 0.00 0.00 60.65 59.67 3ioc s ILE 287 Cb -0.16 -4.01 0.00 0.00 -1.58 0.00 0.00 42.46 36.72 3ioc s ILE 287 CO 0.06 0.14 0.00 0.61 -1.23 0.00 0.00 174.94 174.52