#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3ico s SER 2 N 0.00 0.15 0.03 6.12 0.15 -0.78 -5.04 113.70 114.32 3ico s SER 2 Ca 0.00 -0.39 -0.01 0.00 0.70 0.00 0.00 55.95 56.25 3ico s SER 2 Cb 0.00 0.16 -0.02 0.00 -1.71 0.00 0.00 66.02 64.44 3ico s SER 2 CO 0.00 -0.35 -0.02 -0.94 1.20 0.00 0.00 173.24 173.12 3ico s SER 3 N -1.52 0.29 0.02 5.45 1.04 -1.26 -1.55 113.70 116.17 3ico s SER 3 Ca -0.14 -0.60 0.02 0.00 0.48 0.00 0.00 55.95 55.71 3ico s SER 3 Cb -0.08 0.13 -0.01 0.00 0.10 0.00 0.00 66.02 66.16 3ico s SER 3 CO -0.00 -0.37 -0.07 -0.44 0.98 0.00 0.00 173.24 173.33 3ico s SER 4 N -1.79 0.84 -0.17 7.02 0.01 0.45 -4.92 113.70 115.13 3ico s SER 4 Ca -0.11 -0.33 -0.01 0.00 1.31 0.00 0.00 55.95 56.82 3ico s SER 4 Cb -0.06 -0.03 -0.00 0.00 0.21 0.00 0.00 66.02 66.14 3ico s SER 4 CO -0.03 -0.05 -0.13 -0.63 0.41 0.00 0.00 173.24 172.81 3ico s ILE 5 N -0.73 2.83 -0.06 1.44 1.01 -1.26 -0.28 121.20 124.14 3ico s ILE 5 Ca -0.03 -0.70 0.04 0.00 0.00 0.00 0.00 60.65 59.96 3ico s ILE 5 Cb -0.06 -2.22 -0.02 0.00 0.01 0.00 0.00 42.46 40.17 3ico s ILE 5 CO 0.00 0.50 -0.18 -1.61 0.00 0.00 0.00 174.94 173.65 3ico s GLU 6 N 1.00 2.65 -0.10 2.79 2.02 0.15 -4.99 118.70 122.21 3ico s GLU 6 Ca -0.01 -0.77 0.03 0.00 0.02 0.00 0.00 54.97 54.24 3ico s GLU 6 Cb -0.15 -2.34 0.01 0.00 0.10 0.00 0.00 34.13 31.75 3ico s GLU 6 CO -0.02 0.48 -0.20 0.42 0.02 0.00 0.00 175.26 175.96 3ico s ILE 7 N -0.37 1.79 0.07 -1.63 1.01 -1.26 -0.83 121.20 119.98 3ico s ILE 7 Ca 0.03 -0.84 0.09 0.00 0.00 0.00 0.00 60.65 59.92 3ico s ILE 7 Cb -0.12 -1.57 -0.03 0.00 0.01 0.00 0.00 42.46 40.74 3ico s ILE 7 CO 0.02 0.50 -0.22 -0.36 0.00 0.00 0.00 174.94 174.88 3ico s PHE 8 N 0.60 2.46 0.52 3.97 0.40 0.11 -4.97 117.98 121.07 3ico s PHE 8 Ca -0.14 -0.32 0.25 0.00 -0.60 0.00 0.00 56.93 56.13 3ico s PHE 8 Cb -0.17 -1.39 1.55 0.00 0.51 0.00 0.00 43.02 43.53 3ico s PHE 8 CO 0.04 0.26 2.17 -1.00 0.70 0.00 0.00 175.22 177.39 3ico h PRO 9 N 4.32 0.00 -3.41 0.24 0.13 -1.94 0.20 132.00 131.54 3ico h PRO 9 Ca -0.48 0.00 -0.03 0.00 -0.87 0.00 0.00 66.00 64.62 3ico h PRO 9 Cb 1.16 0.00 -0.07 0.00 0.13 0.00 0.00 31.00 32.22 3ico h PRO 9 CO 0.45 0.05 0.03 0.16 -0.23 0.00 0.00 178.00 178.46 3ico s ASP 10 N -6.42 -0.06 0.05 1.44 1.47 -1.26 -4.23 116.67 107.66 3ico s ASP 10 Ca -0.04 -0.89 0.26 0.00 1.18 0.00 0.00 52.55 53.06 3ico s ASP 10 Cb 0.15 0.67 0.67 0.00 -0.34 0.00 0.00 42.92 44.07 3ico s ASP 10 CO 0.59 -1.28 1.55 -1.54 0.68 0.00 0.00 175.17 175.17 3ico n SER 11 N -0.59 0.46 0.04 2.11 3.41 -1.26 -2.27 113.62 115.52 3ico n SER 11 Ca -0.03 0.09 -0.13 0.00 -0.26 0.00 0.00 58.87 58.55 3ico n SER 11 Cb 0.61 -0.04 -0.09 0.00 -0.26 0.00 0.00 64.21 64.43 3ico n SER 11 CO 0.00 0.00 0.00 0.44 -0.16 0.00 0.00 175.04 175.32 3ico h ASP 12 N 0.00 -0.08 0.19 4.04 3.45 -1.99 -0.02 116.42 122.01 3ico h ASP 12 Ca 0.00 -0.30 -0.11 0.00 0.43 0.00 0.00 57.03 57.05 3ico h ASP 12 Cb 0.58 0.02 -0.01 0.00 -0.56 0.00 0.00 39.33 39.36 3ico h ASP 12 CO 0.00 0.27 -0.40 -0.29 -1.57 0.00 0.00 179.24 177.24 3ico h ILE 13 N -0.43 1.31 0.57 0.35 2.10 -1.99 -0.17 117.51 119.25 3ico h ILE 13 Ca -0.01 -1.52 -0.02 0.00 1.08 0.00 0.00 64.86 64.39 3ico h ILE 13 Cb 0.38 1.66 -0.01 0.00 -1.09 0.00 0.00 36.82 37.75 3ico h ILE 13 CO 0.02 0.46 -0.45 0.25 -1.08 0.00 0.00 178.15 177.34 3ico h LEU 14 N 0.24 -1.20 -0.76 2.19 6.46 -1.40 -0.24 115.31 120.59 3ico h LEU 14 Ca 0.02 0.09 0.01 0.00 -0.12 0.00 0.00 57.88 57.88 3ico h LEU 14 Cb 0.82 0.38 -0.04 0.00 -0.73 0.00 0.00 40.66 41.09 3ico h LEU 14 CO 0.07 -0.65 0.50 0.58 -0.62 0.00 0.00 178.44 178.32 3ico h VAL 15 N -1.00 1.20 -0.53 1.05 2.07 -0.81 -0.75 116.25 117.47 3ico h VAL 15 Ca -0.07 -0.36 -0.00 0.00 0.82 0.00 0.00 66.70 67.09 3ico h VAL 15 Cb 0.85 0.08 -0.03 0.00 -1.52 0.00 0.00 31.29 30.67 3ico h VAL 15 CO 0.00 0.19 0.32 0.00 0.02 0.00 0.00 177.57 178.10 3ico h ALA 16 N 1.28 0.68 -0.65 1.67 0.00 -0.90 0.23 119.26 121.57 3ico h ALA 16 Ca 0.28 -0.07 -0.09 0.00 0.00 0.00 0.00 54.91 55.03 3ico h ALA 16 Cb -0.12 -0.21 -0.02 0.00 0.00 0.00 0.00 17.79 17.43 3ico h ALA 16 CO -0.06 0.17 0.07 0.00 0.00 0.00 0.00 179.25 179.43 3ico h ALA 17 N 1.15 0.87 -0.62 0.00 0.00 -0.69 -1.68 119.26 118.30 3ico h ALA 17 Ca 0.19 -0.29 -0.04 0.00 0.00 0.00 0.00 54.91 54.77 3ico h ALA 17 Cb -0.00 -0.25 -0.03 0.00 0.00 0.00 0.00 17.79 17.52 3ico h ALA 17 CO -0.03 0.67 0.22 0.00 0.00 0.00 0.00 179.25 180.11 3ico h ALA 18 N 1.03 0.80 0.06 0.00 0.00 -0.79 -1.81 119.26 118.56 3ico h ALA 18 Ca 0.19 -0.19 0.02 0.00 0.00 0.00 0.00 54.91 54.94 3ico h ALA 18 Cb 0.49 -0.24 -0.03 0.00 0.00 0.00 0.00 17.79 18.01 3ico h ALA 18 CO 0.02 0.44 -0.20 0.78 0.00 0.00 0.00 179.25 180.30 3ico h GLY 19 N 0.87 -0.32 1.26 0.00 0.00 -0.21 0.12 103.07 104.79 3ico h GLY 19 Ca 0.20 0.23 -0.02 0.00 0.00 0.00 0.00 47.33 47.74 3ico h GLY 19 CO -0.01 -0.18 0.34 1.70 0.00 0.00 0.00 176.54 178.38 3ico h LYS 20 N -0.35 0.96 -0.55 4.80 3.64 -1.29 -0.63 116.57 123.15 3ico h LYS 20 Ca 0.04 -0.12 -0.07 0.00 -1.27 0.00 0.00 60.65 59.23 3ico h LYS 20 Cb 0.39 -0.18 -0.02 0.00 -0.41 0.00 0.00 32.23 32.01 3ico h LYS 20 CO -0.14 0.74 0.07 -0.09 -2.27 0.00 0.00 179.45 177.76 3ico h ARG 21 N 0.96 0.93 -0.30 1.90 2.43 -0.99 -2.26 114.38 117.05 3ico h ARG 21 Ca 0.24 -0.26 -0.13 0.00 -0.81 0.00 0.00 59.98 59.02 3ico h ARG 21 Cb 0.08 -0.10 -0.00 0.00 -0.42 0.00 0.00 29.97 29.53 3ico h ARG 21 CO -0.03 0.91 -0.31 1.25 -1.51 0.00 0.00 179.97 180.27 3ico h LEU 22 N 0.82 0.80 -0.42 3.80 5.85 -0.26 0.29 115.31 126.18 3ico h LEU 22 Ca 0.17 -0.48 0.07 0.00 0.84 0.00 0.00 57.88 58.48 3ico h LEU 22 Cb 0.44 -0.22 -0.06 0.00 0.37 0.00 0.00 40.66 41.19 3ico h LEU 22 CO 0.01 1.11 0.07 0.58 -0.34 0.00 0.00 178.44 179.87 3ico h VAL 23 N 0.50 0.76 -0.41 1.05 2.07 -1.15 -0.18 116.25 118.88 3ico h VAL 23 Ca 0.05 -0.07 0.02 0.00 0.82 0.00 0.00 66.70 67.52 3ico h VAL 23 Cb 0.89 0.55 -0.03 0.00 -1.52 0.00 0.00 31.29 31.18 3ico h VAL 23 CO 0.08 0.04 0.24 1.23 0.02 0.00 0.00 177.57 179.18 3ico h GLY 24 N 0.20 0.58 1.02 2.17 0.00 -1.05 -2.19 103.07 103.80 3ico h GLY 24 Ca 0.21 -0.18 -0.01 0.00 0.00 0.00 0.00 47.33 47.35 3ico h GLY 24 CO -0.28 0.16 0.57 0.00 0.00 0.00 0.00 176.54 176.99 3ico h ALA 25 N 1.19 1.22 0.00 3.60 0.00 0.12 -0.24 119.26 125.14 3ico h ALA 25 Ca 0.17 -0.11 -0.00 0.00 0.00 0.00 0.00 54.91 54.97 3ico h ALA 25 Cb 0.01 -0.38 0.00 0.00 0.00 0.00 0.00 17.79 17.42 3ico h ALA 25 CO -0.08 0.67 -0.00 0.82 0.00 0.00 0.00 179.25 180.66 3ico h ILE 26 N 1.31 1.11 -0.91 0.00 2.04 -0.83 -0.45 117.51 119.79 3ico h ILE 26 Ca 0.34 -0.35 0.05 0.00 1.00 0.00 0.00 64.86 65.90 3ico h ILE 26 Cb -0.05 1.35 -0.06 0.00 -0.74 0.00 0.00 36.82 37.32 3ico h ILE 26 CO -0.06 0.09 0.58 1.23 0.00 0.00 0.00 178.15 179.99 3ico h GLY 27 N -0.15 1.35 0.90 5.37 0.00 -1.18 -0.45 103.07 108.91 3ico h GLY 27 Ca -0.00 -0.44 -0.02 0.00 0.00 0.00 0.00 47.33 46.88 3ico h GLY 27 CO 0.00 0.34 0.10 0.00 0.00 0.00 0.00 176.54 176.98 3ico h ALA 28 N 1.40 0.36 -0.28 3.60 0.00 -0.84 -0.38 119.26 123.11 3ico h ALA 28 Ca 0.38 -0.13 -0.03 0.00 0.00 0.00 0.00 54.91 55.12 3ico h ALA 28 Cb 0.08 -0.11 -0.01 0.00 0.00 0.00 0.00 17.79 17.75 3ico h ALA 28 CO -0.14 -0.04 0.04 0.00 0.00 0.00 0.00 179.25 179.11 3ico h ALA 29 N 0.94 0.38 -0.15 0.00 0.00 -0.61 -1.13 119.26 118.69 3ico h ALA 29 Ca 0.09 -0.19 0.01 0.00 0.00 0.00 0.00 54.91 54.82 3ico h ALA 29 Cb 0.20 -0.11 -0.02 0.00 0.00 0.00 0.00 17.79 17.87 3ico h ALA 29 CO -0.01 0.07 0.05 0.28 0.00 0.00 0.00 179.25 179.64 3ico h VAL 30 N 0.28 0.96 -0.57 0.00 2.07 -1.07 0.43 116.25 118.35 3ico h VAL 30 Ca 0.09 -0.04 0.06 0.00 0.82 0.00 0.00 66.70 67.63 3ico h VAL 30 Cb 0.34 0.84 -0.05 0.00 -1.52 0.00 0.00 31.29 30.89 3ico h VAL 30 CO 0.01 0.02 0.28 0.00 0.02 0.00 0.00 177.57 177.90 3ico h ALA 31 N 1.09 0.75 -0.11 1.67 0.00 -0.89 0.58 119.26 122.35 3ico h ALA 31 Ca 0.06 0.04 -0.21 0.00 0.00 0.00 0.00 54.91 54.80 3ico h ALA 31 Cb 0.04 -0.05 0.01 0.00 0.00 0.00 0.00 17.79 17.79 3ico h ALA 31 CO -0.07 -0.08 -0.74 0.00 0.00 0.00 0.00 179.25 178.36 3ico h ALA 32 N 1.33 0.24 0.00 0.00 0.00 -1.01 -3.40 119.26 116.42 3ico h ALA 32 Ca 0.27 -0.59 0.00 0.00 0.00 0.00 0.00 54.91 54.59 3ico h ALA 32 Cb 0.21 -0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.00 3ico h ALA 32 CO -0.20 0.59 0.00 0.54 0.00 0.00 0.00 179.25 180.18 3ico n ARG 33 N -4.01 0.72 -1.00 0.00 1.74 0.12 -5.02 116.66 109.20 3ico n ARG 33 Ca -0.08 -0.19 -0.00 0.00 -0.77 0.00 0.00 57.85 56.80 3ico n ARG 33 Cb 0.73 -0.63 -0.00 0.00 -1.02 0.00 0.00 32.46 31.54 3ico n ARG 33 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 3ico n GLY 34 N 0.16 0.47 3.48 -0.13 0.00 0.20 -4.98 105.19 104.39 3ico n GLY 34 Ca 0.00 -0.06 -0.17 0.00 0.00 0.00 0.00 46.02 45.79 3ico n GLY 34 CO 0.00 0.00 0.00 -0.86 0.00 0.00 0.00 173.32 172.46 3ico s GLN 35 N -0.23 1.03 -0.15 1.61 -2.07 -1.26 -4.90 119.66 113.70 3ico s GLN 35 Ca 0.00 0.15 0.02 0.00 -1.82 0.00 0.00 55.36 53.71 3ico s GLN 35 Cb 0.00 0.48 0.01 0.00 -1.09 0.00 0.00 33.01 32.41 3ico s GLN 35 CO 0.00 -0.33 -0.20 0.00 -1.32 0.00 0.00 175.29 173.43 3ico s ALA 36 N -1.41 2.31 -0.37 2.60 0.00 -0.56 -3.47 121.76 120.85 3ico s ALA 36 Ca -0.10 -1.09 -0.05 0.00 0.00 0.00 0.00 51.96 50.71 3ico s ALA 36 Cb -0.01 -1.06 0.07 0.00 0.00 0.00 0.00 23.12 22.13 3ico s ALA 36 CO 0.08 -0.05 0.15 -0.51 0.00 0.00 0.00 175.76 175.43 3ico s LEU 37 N 0.84 4.68 -0.13 0.00 1.43 -1.26 -0.35 118.68 123.89 3ico s LEU 37 Ca -0.06 -1.47 0.03 0.00 -1.03 0.00 0.00 54.13 51.59 3ico s LEU 37 Cb -0.15 -1.86 0.01 0.00 0.03 0.00 0.00 46.19 44.21 3ico s LEU 37 CO -0.02 -0.42 -0.22 -0.63 0.23 0.00 0.00 176.35 175.29 3ico s ILE 38 N 1.32 2.11 -0.23 -0.59 -1.09 0.08 -0.27 121.20 122.53 3ico s ILE 38 Ca 0.01 -0.97 -0.15 0.00 -2.23 0.00 0.00 60.65 57.30 3ico s ILE 38 Cb -0.21 -1.83 -0.04 0.00 -1.58 0.00 0.00 42.46 38.80 3ico s ILE 38 CO 0.00 0.55 0.39 -0.69 -1.23 0.00 0.00 174.94 173.96 3ico s VAL 39 N 0.67 5.19 0.47 2.92 1.01 -0.09 -1.20 120.40 129.37 3ico s VAL 39 Ca -0.10 0.65 0.01 0.00 0.00 0.00 0.00 61.98 62.54 3ico s VAL 39 Cb -0.16 -3.72 0.01 0.00 0.00 0.00 0.00 36.38 32.51 3ico s VAL 39 CO 0.01 0.21 0.69 -0.76 0.00 0.00 0.00 175.10 175.26 3ico s LEU 40 N 1.62 3.55 0.22 3.92 1.43 0.26 -1.47 118.68 128.22 3ico s LEU 40 Ca 0.17 0.18 0.00 0.00 -1.03 0.00 0.00 54.13 53.45 3ico s LEU 40 Cb -0.15 -3.06 -0.04 0.00 0.03 0.00 0.00 46.19 42.97 3ico s LEU 40 CO 0.08 -0.82 0.14 0.28 0.23 0.00 0.00 176.35 176.26 3ico s THR 41 N -2.60 0.08 0.00 5.49 -1.32 -1.26 -0.91 115.64 115.13 3ico s THR 41 Ca 0.51 -2.00 0.00 0.00 -1.21 0.00 0.00 61.69 58.99 3ico s THR 41 Cb -0.10 -2.52 0.00 0.00 -1.51 0.00 0.00 72.50 68.37 3ico s THR 41 CO 0.38 0.00 0.00 0.61 -2.21 0.00 0.00 174.62 173.40 3ico n GLY 42 N -0.33 3.36 0.00 6.08 0.00 -1.26 -4.44 105.19 108.60 3ico n GLY 42 Ca 0.02 -2.05 0.00 0.00 0.00 0.00 0.00 46.02 43.99 3ico n GLY 42 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3ico n GLY 43 N 5.00 -1.16 0.13 -0.02 0.00 -1.26 -4.04 105.19 103.84 3ico n GLY 43 Ca 0.00 -1.59 -0.09 0.00 0.00 0.00 0.00 46.02 44.33 3ico n GLY 43 CO 0.00 0.00 0.00 -1.33 0.00 0.00 0.00 173.32 171.99 3ico h GLY 44 N 0.00 0.03 0.90 -0.02 0.00 -1.98 -1.70 103.07 100.30 3ico h GLY 44 Ca 0.00 0.10 -0.06 0.00 0.00 0.00 0.00 47.33 47.37 3ico h GLY 44 CO 0.00 -0.09 -0.03 3.43 0.00 0.00 0.00 176.54 179.85 3ico h ASN 45 N -0.08 0.57 -0.63 0.19 2.35 -1.89 -1.43 115.58 114.67 3ico h ASN 45 Ca 0.07 -0.33 0.01 0.00 -0.55 0.00 0.00 56.30 55.51 3ico h ASN 45 Cb 0.19 -0.15 -0.03 0.00 0.05 0.00 0.00 38.32 38.37 3ico h ASN 45 CO -0.17 0.76 0.41 1.23 -1.65 0.00 0.00 177.43 178.01 3ico h GLY 46 N 0.37 0.89 1.24 2.83 0.00 -1.66 0.29 103.07 107.03 3ico h GLY 46 Ca 0.09 -0.32 -0.20 0.00 0.00 0.00 0.00 47.33 46.90 3ico h GLY 46 CO 0.02 0.30 -0.66 -2.22 0.00 0.00 0.00 176.54 173.99 3ico h ILE 47 N 0.83 1.29 -0.83 2.60 1.08 -1.35 -2.90 117.51 118.23 3ico h ILE 47 Ca 0.24 -1.87 0.09 0.00 -0.39 0.00 0.00 64.86 62.93 3ico h ILE 47 Cb -0.07 1.82 -0.06 0.00 -3.07 0.00 0.00 36.82 35.45 3ico h ILE 47 CO -0.06 0.60 0.54 0.00 -0.69 0.00 0.00 178.15 178.53 3ico h ALA 48 N 0.69 1.70 -0.47 1.87 0.00 -0.96 -1.94 119.26 120.15 3ico h ALA 48 Ca -0.02 -0.01 -0.09 0.00 0.00 0.00 0.00 54.91 54.79 3ico h ALA 48 Cb 1.26 -0.19 -0.02 0.00 0.00 0.00 0.00 17.79 18.85 3ico h ALA 48 CO 0.14 0.13 -0.07 1.25 0.00 0.00 0.00 179.25 180.70 3ico h LEU 49 N 0.80 0.82 -0.87 0.00 5.85 -0.78 -2.44 115.31 118.69 3ico h LEU 49 Ca 0.38 -0.23 -0.06 0.00 0.84 0.00 0.00 57.88 58.81 3ico h LEU 49 Cb 0.41 -0.22 -0.03 0.00 0.37 0.00 0.00 40.66 41.19 3ico h LEU 49 CO -0.15 0.92 0.20 -0.07 -0.34 0.00 0.00 178.44 179.00 3ico h LEU 50 N 0.76 0.97 -1.22 2.25 3.38 -1.19 -1.90 115.31 118.36 3ico h LEU 50 Ca 0.13 -0.18 -0.02 0.00 0.09 0.00 0.00 57.88 57.91 3ico h LEU 50 Cb 0.56 -0.25 -0.03 0.00 0.09 0.00 0.00 40.66 41.02 3ico h LEU 50 CO 0.03 0.91 0.30 0.03 0.09 0.00 0.00 178.44 179.80 3ico h ARG 51 N 0.99 0.84 -0.17 1.13 3.08 -1.04 -1.71 114.38 117.51 3ico h ARG 51 Ca 0.22 -0.10 -0.02 0.00 0.07 0.00 0.00 59.98 60.15 3ico h ARG 51 Cb 0.30 -0.16 -0.01 0.00 0.08 0.00 0.00 29.97 30.18 3ico h ARG 51 CO -0.01 0.64 0.04 -0.92 -1.07 0.00 0.00 179.97 178.66 3ico h TYR 52 N 0.84 0.28 -0.92 3.04 3.20 -0.94 -1.96 116.97 120.51 3ico h TYR 52 Ca 0.21 -0.03 0.13 0.00 3.14 0.00 0.00 58.73 62.17 3ico h TYR 52 Cb 0.07 -0.08 -0.09 0.00 1.54 0.00 0.00 36.73 38.17 3ico h TYR 52 CO 0.01 0.40 0.54 -0.07 -1.64 0.00 0.00 178.16 177.40 3ico h LEU 53 N 0.07 0.75 -0.35 2.82 3.38 -1.11 -1.39 115.31 119.48 3ico h LEU 53 Ca 0.05 0.06 -0.01 0.00 0.09 0.00 0.00 57.88 58.08 3ico h LEU 53 Cb 0.27 -0.08 -0.02 0.00 0.09 0.00 0.00 40.66 40.92 3ico h LEU 53 CO 0.00 0.38 0.19 -1.28 0.09 0.00 0.00 178.44 177.82 3ico h SER 54 N 0.83 0.44 0.07 -0.43 0.87 -1.03 -0.85 113.55 113.45 3ico h SER 54 Ca 0.47 -0.09 -0.01 0.00 -1.23 0.00 0.00 61.79 60.93 3ico h SER 54 Cb 0.53 -0.11 -0.00 0.00 -0.44 0.00 0.00 62.40 62.37 3ico h SER 54 CO -0.29 0.40 -0.03 0.00 -0.53 0.00 0.00 176.83 176.38 3ico h ALA 55 N 1.05 1.56 -0.43 6.23 0.00 -0.59 -2.46 119.26 124.64 3ico h ALA 55 Ca 0.12 -0.03 -0.15 0.00 0.00 0.00 0.00 54.91 54.85 3ico h ALA 55 Cb 0.06 -0.00 -0.09 0.00 0.00 0.00 0.00 17.79 17.76 3ico h ALA 55 CO -0.02 0.04 0.06 1.04 0.00 0.00 0.00 179.25 180.37 3ico n GLN 56 N -3.93 2.49 -0.33 0.00 1.13 -0.60 -4.77 117.38 111.37 3ico n GLN 56 Ca -0.03 -3.04 0.12 0.00 -1.94 0.00 0.00 57.00 52.11 3ico n GLN 56 Cb 0.12 -1.91 0.30 0.00 0.11 0.00 0.00 30.24 28.85 3ico n GLN 56 CO 0.00 0.00 0.00 0.00 -1.44 0.00 0.00 177.06 175.62 3ico h ALA 57 N 1.49 1.53 0.00 -1.58 0.00 -0.69 0.15 119.26 120.15 3ico h ALA 57 Ca 0.19 0.10 0.00 0.00 0.00 0.00 0.00 54.91 55.20 3ico h ALA 57 Cb 1.78 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 19.56 3ico h ALA 57 CO 0.44 -0.14 0.00 1.96 0.00 0.00 0.00 179.25 181.51 3ico h GLN 58 N 0.64 0.00 -0.00 0.00 1.08 -1.86 -2.02 115.11 112.95 3ico h GLN 58 Ca 0.55 0.00 0.00 0.00 -1.45 0.00 0.00 58.65 57.75 3ico h GLN 58 Cb 0.89 0.00 0.00 0.00 -0.05 0.00 0.00 27.48 28.32 3ico h GLN 58 CO -0.41 0.00 -0.05 1.04 -0.95 0.00 0.00 178.83 178.45 3ico n GLN 59 N -2.55 0.13 -5.16 1.46 1.13 0.52 -4.86 117.38 108.04 3ico n GLN 59 Ca -0.01 -0.01 -0.31 0.00 -1.94 0.00 0.00 57.00 54.73 3ico n GLN 59 Cb 0.11 -1.50 -0.17 0.00 0.11 0.00 0.00 30.24 28.80 3ico n GLN 59 CO 0.00 0.00 0.00 0.42 -1.44 0.00 0.00 177.06 176.04 3ico s ILE 60 N -2.88 1.94 -1.27 5.09 1.01 -0.76 -4.90 121.20 119.43 3ico s ILE 60 Ca 0.18 -0.98 -0.17 0.00 0.00 0.00 0.00 60.65 59.68 3ico s ILE 60 Cb 0.19 -1.66 0.10 0.00 0.01 0.00 0.00 42.46 41.10 3ico s ILE 60 CO 0.53 0.54 1.65 1.21 0.00 0.00 0.00 174.94 178.86 3ico n GLU 61 N 3.25 3.25 -0.05 2.79 2.13 -1.26 -4.86 120.64 125.90 3ico n GLU 61 Ca -0.18 -3.46 0.21 0.00 0.66 0.00 0.00 57.16 54.38 3ico n GLU 61 Cb 0.52 -3.35 0.67 0.00 0.27 0.00 0.00 31.44 29.55 3ico n GLU 61 CO 0.00 0.00 0.00 -1.49 -0.41 0.00 0.00 177.13 175.23 3ico h TRP 62 N 7.42 0.07 0.00 4.31 4.06 -1.90 -0.22 115.95 129.70 3ico h TRP 62 Ca 0.41 0.00 0.00 0.00 2.06 0.00 0.00 58.89 61.36 3ico h TRP 62 Cb 0.87 -0.02 0.00 0.00 -1.00 0.00 0.00 29.16 29.01 3ico h TRP 62 CO 1.33 0.03 0.00 0.66 -3.56 0.00 0.00 178.44 176.89 3ico h SER 63 N 0.06 0.00 -0.41 -3.49 4.64 -1.89 -2.00 113.55 110.46 3ico h SER 63 Ca 0.30 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.62 3ico h SER 63 Cb 1.09 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.18 3ico h SER 63 CO -0.02 0.00 0.00 0.29 -0.87 0.00 0.00 176.83 176.23 3ico n LYS 64 N -2.62 2.61 -3.67 4.77 4.76 -0.10 -4.90 118.16 119.02 3ico n LYS 64 Ca -0.01 -2.13 -0.36 0.00 -2.87 0.00 0.00 58.31 52.94 3ico n LYS 64 Cb 0.13 -1.35 -0.07 0.00 -1.84 0.00 0.00 35.03 31.90 3ico n LYS 64 CO 0.00 0.00 0.00 0.08 -1.37 0.00 0.00 177.40 176.11 3ico s VAL 65 N -1.03 5.36 -0.13 -0.18 1.01 -0.75 -1.49 120.40 123.19 3ico s VAL 65 Ca 0.29 0.37 0.03 0.00 0.00 0.00 0.00 61.98 62.67 3ico s VAL 65 Cb 0.16 -3.53 0.01 0.00 0.00 0.00 0.00 36.38 33.01 3ico s VAL 65 CO 0.21 0.47 -0.22 -1.00 0.00 0.00 0.00 175.10 174.56 3ico s HIS 66 N 0.02 2.55 -0.07 5.22 3.76 0.52 -4.79 115.29 122.51 3ico s HIS 66 Ca 0.14 -1.22 0.03 0.00 -0.15 0.00 0.00 55.06 53.85 3ico s HIS 66 Cb -0.12 -1.74 -0.02 0.00 1.11 0.00 0.00 32.58 31.81 3ico s HIS 66 CO 0.02 -0.55 -0.14 -0.51 -0.85 0.00 0.00 174.74 172.71 3ico s LEU 67 N 0.72 2.72 0.20 0.89 1.43 -0.24 -0.74 118.68 123.66 3ico s LEU 67 Ca -0.10 -0.24 0.02 0.00 -1.03 0.00 0.00 54.13 52.78 3ico s LEU 67 Cb -0.16 -1.57 -0.05 0.00 0.03 0.00 0.00 46.19 44.44 3ico s LEU 67 CO 0.01 0.29 0.03 -0.36 0.23 0.00 0.00 176.35 176.54 3ico s PHE 68 N -0.39 1.30 -0.02 0.29 0.40 -0.34 -0.20 117.98 119.01 3ico s PHE 68 Ca 0.04 -1.06 0.07 0.00 -0.60 0.00 0.00 56.93 55.38 3ico s PHE 68 Cb -0.12 -0.74 -0.02 0.00 0.51 0.00 0.00 43.02 42.64 3ico s PHE 68 CO 0.02 -0.24 -0.22 -1.58 0.70 0.00 0.00 175.22 173.90 3ico s TRP 69 N -3.68 2.47 0.13 0.36 0.51 -1.26 0.93 118.94 118.39 3ico s TRP 69 Ca 0.28 -0.33 -0.04 0.00 -2.12 0.00 0.00 56.10 53.88 3ico s TRP 69 Cb 0.06 -1.53 -0.10 0.00 -0.81 0.00 0.00 33.47 31.10 3ico s TRP 69 CO 0.07 0.07 1.30 0.78 -0.51 0.00 0.00 176.95 178.66 3ico h GLY 70 N 5.30 0.45 -2.51 0.98 0.00 -1.34 -3.43 103.07 102.52 3ico h GLY 70 Ca -0.45 -0.80 0.09 0.00 0.00 0.00 0.00 47.33 46.17 3ico h GLY 70 CO 0.48 0.71 0.35 0.51 0.00 0.00 0.00 176.54 178.58 3ico s ASP 71 N -7.08 -0.31 -0.04 0.19 -4.77 -1.26 0.16 116.67 103.56 3ico s ASP 71 Ca -0.06 -0.33 -0.18 0.00 -3.30 0.00 0.00 52.55 48.68 3ico s ASP 71 Cb 0.09 0.58 0.03 0.00 -1.09 0.00 0.00 42.92 42.53 3ico s ASP 71 CO 0.87 -1.02 0.39 -0.70 0.70 0.00 0.00 175.17 175.40 3ico s GLU 72 N -3.56 0.72 -0.10 2.11 2.56 -0.23 -4.83 118.70 115.36 3ico s GLU 72 Ca 0.09 -0.02 -0.30 0.00 0.00 0.00 0.00 54.97 54.74 3ico s GLU 72 Cb -0.03 0.33 -0.01 0.00 2.00 0.00 0.00 34.13 36.41 3ico s GLU 72 CO -0.01 -0.19 1.03 1.03 -0.56 0.00 0.00 175.26 176.56 3ico s ARG 73 N -1.12 4.41 -1.07 4.30 3.00 -1.26 -1.74 118.95 125.48 3ico s ARG 73 Ca -0.11 1.42 -0.21 0.00 0.00 0.00 0.00 55.73 56.83 3ico s ARG 73 Cb -0.04 -3.55 0.07 0.00 0.00 0.00 0.00 34.95 31.43 3ico s ARG 73 CO 0.05 -0.34 1.47 -0.47 0.00 0.00 0.00 175.30 176.01 3ico s TYR 74 N 2.06 2.69 0.26 -0.53 5.04 0.52 -4.78 117.35 122.61 3ico s TYR 74 Ca 0.49 -1.11 -0.05 0.00 -2.44 0.00 0.00 57.07 53.96 3ico s TYR 74 Cb -0.19 -4.64 -0.02 0.00 0.35 0.00 0.00 41.96 37.46 3ico s TYR 74 CO 0.18 -1.84 0.34 0.14 -1.34 0.00 0.00 175.55 173.03 3ico s VAL 75 N 4.41 0.00 0.59 3.14 -7.23 -1.26 -4.63 120.40 115.42 3ico s VAL 75 Ca 0.46 -1.71 -0.19 0.00 -1.81 0.00 0.00 61.98 58.73 3ico s VAL 75 Cb 0.00 -2.43 -0.05 0.00 0.56 0.00 0.00 36.38 34.46 3ico s VAL 75 CO -0.06 0.00 0.92 -2.65 -0.31 0.00 0.00 175.10 173.00 3ico n PRO 76 N -0.40 0.88 -0.16 4.82 -0.02 -1.26 -0.74 135.00 138.11 3ico n PRO 76 Ca 0.01 0.34 0.10 0.00 -2.02 0.00 0.00 63.50 61.93 3ico n PRO 76 Cb 0.63 -2.12 0.42 0.00 -0.02 0.00 0.00 33.50 32.42 3ico n PRO 76 CO 0.00 0.00 0.00 1.49 1.98 0.00 0.00 175.50 178.97 3ico h GLU 77 N 0.50 0.57 -0.02 -0.52 4.57 -1.92 -2.29 114.58 115.48 3ico h GLU 77 Ca -0.48 -0.03 0.00 0.00 -1.18 0.00 0.00 59.36 57.67 3ico h GLU 77 Cb 1.37 -0.13 0.00 0.00 -0.16 0.00 0.00 28.75 29.83 3ico h GLU 77 CO 0.51 0.38 -0.04 -3.47 -1.18 0.00 0.00 179.01 175.21 3ico n ASP 78 N -4.49 1.65 -4.77 1.04 2.03 -1.26 -4.75 116.55 106.00 3ico n ASP 78 Ca 0.12 -1.49 -0.40 0.00 0.52 0.00 0.00 54.79 53.53 3ico n ASP 78 Cb 0.35 0.02 -0.01 0.00 -0.72 0.00 0.00 41.12 40.77 3ico n ASP 78 CO 0.00 0.00 0.00 -0.62 -1.92 0.00 0.00 177.20 174.66 3ico s ASP 79 N -2.07 6.50 0.37 1.67 -1.08 -0.86 -4.89 116.67 116.31 3ico s ASP 79 Ca 0.35 2.75 0.27 0.00 -0.52 0.00 0.00 52.55 55.41 3ico s ASP 79 Cb 0.21 -2.65 1.10 0.00 -1.46 0.00 0.00 42.92 40.12 3ico s ASP 79 CO 0.36 -0.73 1.81 0.44 0.52 0.00 0.00 175.17 177.57 3ico h ASP 80 N 3.03 0.00 0.40 -0.34 3.32 -1.91 -2.24 116.42 118.68 3ico h ASP 80 Ca -0.50 0.00 0.00 0.00 0.02 0.00 0.00 57.03 56.55 3ico h ASP 80 Cb 1.24 0.00 0.00 0.00 0.22 0.00 0.00 39.33 40.79 3ico h ASP 80 CO 0.64 0.00 0.00 -0.62 -1.72 0.00 0.00 179.24 177.54 3ico n GLU 81 N -2.56 0.08 -2.36 3.56 1.02 -1.26 -4.75 120.64 114.36 3ico n GLU 81 Ca 0.02 0.22 -0.42 0.00 -0.02 0.00 0.00 57.16 56.96 3ico n GLU 81 Cb 0.27 -1.50 -0.03 0.00 -0.02 0.00 0.00 31.44 30.16 3ico n GLU 81 CO 0.00 0.00 0.00 1.03 1.18 0.00 0.00 177.13 179.34 3ico s ARG 82 N -2.84 4.45 0.23 3.49 1.81 -0.85 -4.55 118.95 120.69 3ico s ARG 82 Ca 0.09 1.87 -0.05 0.00 -1.72 0.00 0.00 55.73 55.92 3ico s ARG 82 Cb 0.09 -3.28 0.22 0.00 -0.45 0.00 0.00 34.95 31.53 3ico s ARG 82 CO 0.24 -0.20 1.71 -0.91 -0.68 0.00 0.00 175.30 175.46 3ico h ASN 83 N 6.02 0.88 -0.19 0.23 2.35 -1.90 -2.76 115.58 120.21 3ico h ASN 83 Ca -0.43 -0.23 -0.01 0.00 -0.55 0.00 0.00 56.30 55.07 3ico h ASN 83 Cb 1.21 -0.24 -0.01 0.00 0.05 0.00 0.00 38.32 39.34 3ico h ASN 83 CO 0.79 0.95 0.06 0.25 -1.65 0.00 0.00 177.43 177.82 3ico h LEU 84 N 0.84 0.27 -0.59 1.61 5.85 -1.93 -0.57 115.31 120.79 3ico h LEU 84 Ca 0.15 -0.20 -0.01 0.00 0.84 0.00 0.00 57.88 58.67 3ico h LEU 84 Cb 0.51 -0.07 -0.03 0.00 0.37 0.00 0.00 40.66 41.44 3ico h LEU 84 CO 0.03 0.39 0.34 0.50 -0.34 0.00 0.00 178.44 179.36 3ico h LYS 85 N 0.13 0.81 -0.60 1.25 3.64 -1.85 0.19 116.57 120.14 3ico h LYS 85 Ca 0.06 -0.08 -0.01 0.00 -1.27 0.00 0.00 60.65 59.35 3ico h LYS 85 Cb 0.22 -0.16 -0.03 0.00 -0.41 0.00 0.00 32.23 31.84 3ico h LYS 85 CO -0.00 0.60 0.33 1.96 -2.27 0.00 0.00 179.45 180.07 3ico h GLN 86 N 0.79 0.84 -0.81 1.90 1.08 -1.41 -1.73 115.11 115.77 3ico h GLN 86 Ca 0.21 -0.10 0.04 0.00 -1.45 0.00 0.00 58.65 57.36 3ico h GLN 86 Cb 0.01 -0.17 -0.05 0.00 -0.05 0.00 0.00 27.48 27.22 3ico h GLN 86 CO -0.04 0.63 0.51 0.00 -0.95 0.00 0.00 178.83 178.99 3ico h ALA 87 N 1.16 1.08 -0.31 3.87 0.00 -0.58 -0.78 119.26 123.69 3ico h ALA 87 Ca 0.21 -0.02 0.02 0.00 0.00 0.00 0.00 54.91 55.12 3ico h ALA 87 Cb 0.04 -0.25 -0.03 0.00 0.00 0.00 0.00 17.79 17.54 3ico h ALA 87 CO -0.03 0.30 0.15 0.00 0.00 0.00 0.00 179.25 179.67 3ico h ARG 88 N 0.98 0.31 -0.32 0.00 3.08 -0.32 -0.04 114.38 118.06 3ico h ARG 88 Ca 0.33 -0.02 -0.16 0.00 0.07 0.00 0.00 59.98 60.21 3ico h ARG 88 Cb 0.06 -0.07 -0.00 0.00 0.08 0.00 0.00 29.97 30.04 3ico h ARG 88 CO -0.13 0.21 -0.41 0.00 -1.07 0.00 0.00 179.97 178.57 3ico h ARG 89 N 0.32 0.84 -0.48 0.04 3.08 -0.95 -1.60 114.38 115.64 3ico h ARG 89 Ca 0.13 -0.48 -0.12 0.00 0.07 0.00 0.00 59.98 59.58 3ico h ARG 89 Cb 0.05 0.03 -0.01 0.00 0.08 0.00 0.00 29.97 30.12 3ico h ARG 89 CO -0.09 1.12 -0.18 0.00 -1.07 0.00 0.00 179.97 179.74 3ico h ALA 90 N 0.72 0.66 0.00 0.04 0.00 -1.09 -3.46 119.26 116.13 3ico h ALA 90 Ca 0.04 -0.37 0.00 0.00 0.00 0.00 0.00 54.91 54.58 3ico h ALA 90 Cb 1.00 -0.17 0.00 0.00 0.00 0.00 0.00 17.79 18.63 3ico h ALA 90 CO 0.10 0.62 0.00 -0.11 0.00 0.00 0.00 179.25 179.86 3ico n LEU 91 N -4.16 -0.40 -0.26 0.00 7.94 -0.19 -4.19 117.00 115.74 3ico n LEU 91 Ca -0.00 0.17 -0.03 0.00 -1.11 0.00 0.00 56.01 55.04 3ico n LEU 91 Cb 0.43 0.53 0.14 0.00 0.53 0.00 0.00 43.42 45.06 3ico n LEU 91 CO 0.46 -0.48 1.14 -0.07 -1.11 0.00 0.00 177.39 177.32 3ico h LEU 92 N 0.00 0.99 -2.43 -1.96 3.38 -1.01 0.53 115.31 114.81 3ico h LEU 92 Ca 0.00 -0.10 0.00 0.00 0.09 0.00 0.00 57.88 57.87 3ico h LEU 92 Cb 0.00 -0.25 0.00 0.00 0.09 0.00 0.00 40.66 40.50 3ico h LEU 92 CO 0.00 0.82 0.00 0.78 0.09 0.00 0.00 178.44 180.13 3ico h ASN 93 N 1.10 0.00 -0.01 -0.43 2.35 -1.54 -3.24 115.58 113.82 3ico h ASN 93 Ca 0.27 0.00 0.00 0.00 -0.55 0.00 0.00 56.30 56.02 3ico h ASN 93 Cb 0.07 0.00 0.00 0.00 0.05 0.00 0.00 38.32 38.44 3ico h ASN 93 CO -0.04 0.00 -0.35 1.41 -1.65 0.00 0.00 177.43 176.80 3ico n HIS 94 N -3.00 0.00 -4.44 1.19 8.25 0.16 -4.99 115.22 112.39 3ico n HIS 94 Ca -0.02 0.00 -0.22 0.00 -0.26 0.00 0.00 57.72 57.22 3ico n HIS 94 Cb 0.13 0.00 -0.10 0.00 1.12 0.00 0.00 29.99 31.14 3ico n HIS 94 CO 0.00 0.00 0.00 0.14 0.64 0.00 0.00 176.34 177.12 3ico s VAL 95 N -1.90 1.78 -0.66 1.59 -7.23 -1.12 -5.05 120.40 107.81 3ico s VAL 95 Ca 0.12 -2.16 -0.02 0.00 -1.81 0.00 0.00 61.98 58.12 3ico s VAL 95 Cb 0.13 -2.45 0.33 0.00 0.56 0.00 0.00 36.38 34.94 3ico s VAL 95 CO 0.41 -0.31 2.14 0.47 -0.31 0.00 0.00 175.10 177.51 3ico n ASP 96 N -0.61 7.32 -4.71 4.85 8.00 -1.26 -4.95 116.55 125.19 3ico n ASP 96 Ca -0.05 -3.64 -0.42 0.00 0.71 0.00 0.00 54.79 51.39 3ico n ASP 96 Cb 0.63 -1.06 -0.03 0.00 -0.02 0.00 0.00 41.12 40.64 3ico n ASP 96 CO 0.00 0.00 0.00 -0.51 -0.39 0.00 0.00 177.20 176.30 3ico s ILE 97 N -4.24 4.77 0.29 0.53 2.07 -1.26 -4.39 121.20 118.97 3ico s ILE 97 Ca 0.55 2.06 -0.29 0.00 -1.41 0.00 0.00 60.65 61.56 3ico s ILE 97 Cb 0.43 -4.32 -0.10 0.00 0.13 0.00 0.00 42.46 38.60 3ico s ILE 97 CO -0.19 0.20 1.23 -2.16 -1.91 0.00 0.00 174.94 172.11 3ico s PRO 98 N 0.75 4.46 0.42 3.50 0.04 -1.26 -4.92 135.00 137.98 3ico s PRO 98 Ca 0.51 2.04 0.09 0.00 0.04 0.00 0.00 61.00 63.68 3ico s PRO 98 Cb -0.22 -3.13 0.89 0.00 0.04 0.00 0.00 34.50 32.08 3ico s PRO 98 CO 0.28 -0.05 2.02 0.66 0.04 0.00 0.00 177.00 179.96 3ico h SER 99 N 3.82 0.34 0.02 6.66 4.64 -1.95 -1.46 113.55 125.61 3ico h SER 99 Ca -0.48 -0.03 0.00 0.00 -0.47 0.00 0.00 61.79 60.82 3ico h SER 99 Cb 1.22 -0.09 0.00 0.00 -0.31 0.00 0.00 62.40 63.22 3ico h SER 99 CO 0.68 0.32 0.00 -0.46 -0.87 0.00 0.00 176.83 176.49 3ico n ASN 100 N -4.42 0.00 -0.33 4.97 6.94 -1.26 -2.09 115.26 119.06 3ico n ASN 100 Ca 0.01 -0.76 0.05 0.00 -0.02 0.00 0.00 54.58 53.86 3ico n ASN 100 Cb 0.13 -0.01 0.03 0.00 -2.36 0.00 0.00 39.78 37.57 3ico n ASN 100 CO 0.00 0.00 0.00 0.00 -1.03 0.00 0.00 177.26 176.23 3ico n GLN 101 N -1.01 1.02 -3.86 -3.83 6.02 -0.55 -4.93 117.38 110.24 3ico n GLN 101 Ca 0.19 -0.91 -0.36 0.00 -0.01 0.00 0.00 57.00 55.91 3ico n GLN 101 Cb 0.09 -1.15 -0.12 0.00 1.02 0.00 0.00 30.24 30.09 3ico n GLN 101 CO 0.00 0.00 0.00 0.08 -1.01 0.00 0.00 177.06 176.13 3ico s VAL 102 N -1.01 4.47 -0.64 5.09 1.01 -0.89 -1.07 120.40 127.35 3ico s VAL 102 Ca 0.10 -0.13 0.05 0.00 0.00 0.00 0.00 61.98 62.00 3ico s VAL 102 Cb 0.08 -3.06 0.16 0.00 0.00 0.00 0.00 36.38 33.56 3ico s VAL 102 CO 0.17 0.37 0.43 -1.00 0.00 0.00 0.00 175.10 175.07 3ico s HIS 103 N 1.21 3.32 0.56 5.22 3.76 0.71 -4.95 115.29 125.12 3ico s HIS 103 Ca 0.05 -3.23 -0.17 0.00 -0.15 0.00 0.00 55.06 51.56 3ico s HIS 103 Cb -0.14 -2.62 -0.05 0.00 1.11 0.00 0.00 32.58 30.87 3ico s HIS 103 CO 0.03 -0.61 1.04 -1.25 -0.85 0.00 0.00 174.74 173.11 3ico s PRO 104 N -1.08 3.52 0.50 8.40 0.04 -1.26 -4.05 135.00 141.07 3ico s PRO 104 Ca 0.23 1.19 -0.14 0.00 0.04 0.00 0.00 61.00 62.32 3ico s PRO 104 Cb -0.09 -2.06 -0.07 0.00 0.04 0.00 0.00 34.50 32.31 3ico s PRO 104 CO -0.13 -0.64 0.93 -1.64 0.04 0.00 0.00 177.00 175.56 3ico s MET 105 N -3.92 3.85 0.68 4.56 -1.94 -1.26 -5.02 119.30 116.25 3ico s MET 105 Ca 0.63 0.78 -0.16 0.00 -1.71 0.00 0.00 55.69 55.23 3ico s MET 105 Cb -0.15 -2.21 0.01 0.00 2.01 0.00 0.00 34.83 34.50 3ico s MET 105 CO 0.33 -0.24 1.17 0.00 -0.01 0.00 0.00 175.02 176.27 3ico s ALA 106 N -2.62 2.31 0.30 3.03 0.00 -1.26 -5.03 121.76 118.49 3ico s ALA 106 Ca 0.56 0.79 0.04 0.00 0.00 0.00 0.00 51.96 53.35 3ico s ALA 106 Cb -0.10 -3.42 -0.03 0.00 0.00 0.00 0.00 23.12 19.58 3ico s ALA 106 CO 0.34 -1.54 0.46 0.00 0.00 0.00 0.00 175.76 175.01 3ico s ALA 107 N -2.03 3.89 0.10 0.00 0.00 -1.26 -4.77 121.76 117.68 3ico s ALA 107 Ca 0.72 -1.16 0.33 0.00 0.00 0.00 0.00 51.96 51.86 3ico s ALA 107 Cb -0.26 -1.87 1.53 0.00 0.00 0.00 0.00 23.12 22.52 3ico s ALA 107 CO 0.42 0.08 2.00 0.66 0.00 0.00 0.00 175.76 178.91 3ico h SER 108 N 0.95 0.00 -0.21 0.00 4.64 -1.19 -3.04 113.55 114.70 3ico h SER 108 Ca -0.50 0.00 -0.06 0.00 -0.47 0.00 0.00 61.79 60.76 3ico h SER 108 Cb 1.23 0.00 -0.03 0.00 -0.31 0.00 0.00 62.40 63.29 3ico h SER 108 CO 0.60 0.00 -0.07 -0.90 -0.87 0.00 0.00 176.83 175.58 3ico n ASP 109 N -2.85 2.87 0.00 4.97 5.75 -1.26 -4.12 116.55 121.92 3ico n ASP 109 Ca -0.00 -3.37 0.00 0.00 -0.01 0.00 0.00 54.79 51.41 3ico n ASP 109 Cb 0.21 -0.55 0.00 0.00 -1.03 0.00 0.00 41.12 39.75 3ico n ASP 109 CO 0.00 0.00 0.00 0.61 -0.11 0.00 0.00 177.20 177.70 3ico n GLY 110 N -0.98 3.26 0.00 6.12 0.00 -1.15 -4.91 105.19 107.54 3ico n GLY 110 Ca 0.24 -1.76 0.06 0.00 0.00 0.00 0.00 46.02 44.56 3ico n GLY 110 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 3ico n ASP 111 N 0.00 0.00 -0.34 1.61 8.00 -1.26 -2.01 116.55 122.54 3ico n ASP 111 Ca 0.00 0.49 0.07 0.00 0.71 0.00 0.00 54.79 56.06 3ico n ASP 111 Cb 0.00 -0.50 0.00 0.00 -0.02 0.00 0.00 41.12 40.61 3ico n ASP 111 CO 0.00 0.00 0.00 0.49 -0.39 0.00 0.00 177.20 177.30 3ico n PHE 112 N -1.50 0.00 -1.87 1.24 3.01 -1.26 -5.07 117.46 112.01 3ico n PHE 112 Ca 0.03 0.00 0.00 0.00 1.01 0.00 0.00 57.45 58.49 3ico n PHE 112 Cb 0.14 0.00 0.00 0.00 -0.01 0.00 0.00 39.48 39.61 3ico n PHE 112 CO 0.00 0.00 0.00 0.41 1.01 0.00 0.00 176.76 178.18 3ico n GLY 113 N 1.08 2.74 0.21 1.37 0.00 -0.85 -0.74 105.19 109.00 3ico n GLY 113 Ca 0.06 -0.22 0.05 0.00 0.00 0.00 0.00 46.02 45.91 3ico n GLY 113 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3ico n GLY 114 N 0.00 -0.47 3.30 -0.02 0.00 -1.26 -4.54 105.19 102.20 3ico n GLY 114 Ca 0.00 -0.17 -0.43 0.00 0.00 0.00 0.00 46.02 45.42 3ico n GLY 114 CO 0.00 0.00 0.00 1.34 0.00 0.00 0.00 173.32 174.66 3ico n ASP 115 N -0.24 4.83 -0.20 1.61 -0.08 0.09 -4.78 116.55 117.78 3ico n ASP 115 Ca 0.08 -2.94 -0.01 0.00 -1.51 0.00 0.00 54.79 50.41 3ico n ASP 115 Cb 0.13 -1.65 0.10 0.00 2.34 0.00 0.00 41.12 42.03 3ico n ASP 115 CO 0.00 0.00 0.00 0.25 0.12 0.00 0.00 177.20 177.57 3ico h LEU 116 N 10.72 0.30 -0.65 -2.67 5.85 -1.83 -1.74 115.31 125.28 3ico h LEU 116 Ca 0.43 0.06 -0.03 0.00 0.84 0.00 0.00 57.88 59.18 3ico h LEU 116 Cb 0.80 0.02 -0.03 0.00 0.37 0.00 0.00 40.66 41.82 3ico h LEU 116 CO 1.51 0.18 0.28 0.44 -0.34 0.00 0.00 178.44 180.52 3ico h ASP 117 N 0.46 0.87 -0.51 1.25 3.32 -1.97 -0.98 116.42 118.86 3ico h ASP 117 Ca 0.29 -0.15 -0.06 0.00 0.02 0.00 0.00 57.03 57.13 3ico h ASP 117 Cb 0.31 -0.22 -0.02 0.00 0.22 0.00 0.00 39.33 39.61 3ico h ASP 117 CO -0.26 0.78 0.11 0.00 -1.72 0.00 0.00 179.24 178.15 3ico h ALA 118 N 1.12 1.13 -0.76 3.45 0.00 -1.89 -1.41 119.26 120.90 3ico h ALA 118 Ca 0.22 -0.23 -0.04 0.00 0.00 0.00 0.00 54.91 54.86 3ico h ALA 118 Cb 0.16 -0.22 -0.03 0.00 0.00 0.00 0.00 17.79 17.70 3ico h ALA 118 CO -0.02 0.58 0.32 0.00 0.00 0.00 0.00 179.25 180.12 3ico h ALA 119 N 1.27 0.98 -0.51 0.00 0.00 -0.99 0.13 119.26 120.14 3ico h ALA 119 Ca 0.18 -0.18 -0.07 0.00 0.00 0.00 0.00 54.91 54.84 3ico h ALA 119 Cb 0.35 -0.30 -0.02 0.00 0.00 0.00 0.00 17.79 17.83 3ico h ALA 119 CO 0.00 0.59 0.05 0.00 0.00 0.00 0.00 179.25 179.89 3ico h ALA 120 N 1.16 0.68 -0.93 0.00 0.00 -0.94 -2.47 119.26 116.76 3ico h ALA 120 Ca 0.25 -0.26 -0.00 0.00 0.00 0.00 0.00 54.91 54.90 3ico h ALA 120 Cb 0.19 -0.19 -0.05 0.00 0.00 0.00 0.00 17.79 17.75 3ico h ALA 120 CO -0.02 0.45 0.57 -0.07 0.00 0.00 0.00 179.25 180.18 3ico h LEU 121 N 0.75 1.11 -0.83 0.00 3.38 -1.04 -1.82 115.31 116.86 3ico h LEU 121 Ca 0.15 -0.06 -0.02 0.00 0.09 0.00 0.00 57.88 58.04 3ico h LEU 121 Cb 0.45 -0.28 -0.04 0.00 0.09 0.00 0.00 40.66 40.88 3ico h LEU 121 CO 0.02 0.85 0.44 0.00 0.09 0.00 0.00 178.44 179.83 3ico h ALA 122 N 1.34 1.07 -0.40 1.53 0.00 -0.80 -2.28 119.26 119.71 3ico h ALA 122 Ca 0.33 -0.14 -0.13 0.00 0.00 0.00 0.00 54.91 54.98 3ico h ALA 122 Cb -0.06 -0.33 -0.01 0.00 0.00 0.00 0.00 17.79 17.38 3ico h ALA 122 CO -0.06 0.59 -0.26 -0.92 0.00 0.00 0.00 179.25 178.60 3ico h TYR 123 N 1.16 0.96 -0.62 0.00 3.20 -0.99 0.21 116.97 120.89 3ico h TYR 123 Ca 0.29 -0.24 0.11 0.00 3.14 0.00 0.00 58.73 62.03 3ico h TYR 123 Cb 0.06 -0.22 -0.08 0.00 1.54 0.00 0.00 36.73 38.03 3ico h TYR 123 CO 0.01 1.00 0.21 1.49 -1.64 0.00 0.00 178.16 179.22 3ico h GLU 124 N 0.72 0.36 -0.54 1.82 4.57 -1.14 0.21 114.58 120.57 3ico h GLU 124 Ca 0.09 -0.02 -0.09 0.00 -1.18 0.00 0.00 59.36 58.16 3ico h GLU 124 Cb 0.80 -0.08 -0.02 0.00 -0.16 0.00 0.00 28.75 29.28 3ico h GLU 124 CO 0.07 0.24 -0.01 1.96 -1.18 0.00 0.00 179.01 180.08 3ico h GLN 125 N 0.37 0.94 -0.75 1.92 4.20 -0.88 -0.59 115.11 120.33 3ico h GLN 125 Ca 0.32 -0.29 0.01 0.00 0.06 0.00 0.00 58.65 58.76 3ico h GLN 125 Cb 0.43 -0.09 -0.04 0.00 0.30 0.00 0.00 27.48 28.08 3ico h GLN 125 CO -0.34 0.94 0.49 0.28 -0.67 0.00 0.00 178.83 179.53 3ico h VAL 126 N 0.87 1.18 -0.24 -0.54 2.07 -0.26 -0.97 116.25 118.36 3ico h VAL 126 Ca 0.16 -0.34 -0.01 0.00 0.82 0.00 0.00 66.70 67.32 3ico h VAL 126 Cb 0.53 0.09 -0.01 0.00 -1.52 0.00 0.00 31.29 30.38 3ico h VAL 126 CO 0.03 0.18 0.09 -0.07 0.02 0.00 0.00 177.57 177.82 3ico h LEU 127 N 1.00 0.33 -1.10 2.57 3.38 -0.60 -2.23 115.31 118.66 3ico h LEU 127 Ca 0.28 -0.17 0.04 0.00 0.09 0.00 0.00 57.88 58.12 3ico h LEU 127 Cb -0.10 -0.09 -0.06 0.00 0.09 0.00 0.00 40.66 40.50 3ico h LEU 127 CO -0.06 0.41 0.61 0.00 0.09 0.00 0.00 178.44 179.49 3ico h ALA 128 N 0.93 1.42 0.00 1.53 0.00 -0.96 -1.89 119.26 120.30 3ico h ALA 128 Ca 0.08 -0.04 -0.07 0.00 0.00 0.00 0.00 54.91 54.88 3ico h ALA 128 Cb 0.19 -0.32 -0.01 0.00 0.00 0.00 0.00 17.79 17.65 3ico h ALA 128 CO -0.01 0.47 -0.32 0.00 0.00 0.00 0.00 179.25 179.40 3ico h ALA 129 N 1.47 1.12 0.00 0.00 0.00 -1.01 -2.70 119.26 118.14 3ico h ALA 129 Ca 0.38 -0.29 0.00 0.00 0.00 0.00 0.00 54.91 55.00 3ico h ALA 129 Cb 0.06 -0.05 0.00 0.00 0.00 0.00 0.00 17.79 17.80 3ico h ALA 129 CO -0.12 0.40 -0.41 0.43 0.00 0.00 0.00 179.25 179.55 3ico n SER 130 N -3.65 0.47 -4.79 0.00 7.64 -0.86 -4.94 113.62 107.50 3ico n SER 130 Ca -0.01 0.04 -0.37 0.00 1.01 0.00 0.00 58.87 59.55 3ico n SER 130 Cb 0.44 0.02 -0.06 0.00 -1.01 0.00 0.00 64.21 63.59 3ico n SER 130 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 3ico s ALA 131 N -3.05 3.19 0.26 -0.43 0.00 -0.75 -4.68 121.76 116.31 3ico s ALA 131 Ca 0.10 0.51 -0.28 0.00 0.00 0.00 0.00 51.96 52.29 3ico s ALA 131 Cb 0.16 -3.18 -0.15 0.00 0.00 0.00 0.00 23.12 19.96 3ico s ALA 131 CO 0.67 0.17 0.82 0.00 0.00 0.00 0.00 175.76 177.42 3ico n ALA 132 N 0.43 -1.22 -1.57 0.00 0.00 -1.26 -4.73 120.51 112.16 3ico n ALA 132 Ca 0.02 0.40 -0.48 0.00 0.00 0.00 0.00 53.44 53.38 3ico n ALA 132 Cb 0.50 -1.86 -0.03 0.00 0.00 0.00 0.00 19.45 18.06 3ico n ALA 132 CO 0.00 0.00 0.00 -2.30 0.00 0.00 0.00 177.50 175.20 3ico n PRO 133 N 0.81 1.15 0.00 0.00 -0.02 -1.26 -2.11 135.00 133.57 3ico n PRO 133 Ca 0.13 0.41 0.00 0.00 -2.02 0.00 0.00 63.50 62.01 3ico n PRO 133 Cb 0.30 -1.86 0.00 0.00 -0.02 0.00 0.00 33.50 31.92 3ico n PRO 133 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 3ico n GLY 134 N 1.83 2.69 3.49 -1.23 0.00 -1.26 -5.05 105.19 105.67 3ico n GLY 134 Ca 0.14 -0.63 -0.40 0.00 0.00 0.00 0.00 46.02 45.12 3ico n GLY 134 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 3ico n ASP 135 N 2.78 -0.51 0.13 1.61 8.00 -0.90 -4.90 116.55 122.77 3ico n ASP 135 Ca 0.00 0.88 0.13 0.00 0.71 0.00 0.00 54.79 56.51 3ico n ASP 135 Cb 0.00 -1.18 0.39 0.00 -0.02 0.00 0.00 41.12 40.31 3ico n ASP 135 CO 0.00 0.00 0.00 1.55 -0.39 0.00 0.00 177.20 178.36 3ico h PRO 136 N 0.76 0.00 -2.93 -0.24 0.13 -1.92 -3.44 132.00 124.36 3ico h PRO 136 Ca -0.43 0.00 -0.03 0.00 -0.87 0.00 0.00 66.00 64.67 3ico h PRO 136 Cb 1.39 0.00 -0.13 0.00 0.13 0.00 0.00 31.00 32.39 3ico h PRO 136 CO 0.51 0.00 0.16 0.00 -0.23 0.00 0.00 178.00 178.44 3ico s ALA 137 N -3.16 -1.50 0.79 -0.56 0.00 -1.26 -2.84 121.76 113.22 3ico s ALA 137 Ca 0.09 0.51 -0.13 0.00 0.00 0.00 0.00 51.96 52.43 3ico s ALA 137 Cb 0.11 0.73 0.07 0.00 0.00 0.00 0.00 23.12 24.03 3ico s ALA 137 CO 0.58 -0.69 1.18 -2.14 0.00 0.00 0.00 175.76 174.68 3ico s PRO 138 N -3.39 1.83 -0.90 0.00 0.02 -1.25 -4.68 135.00 126.62 3ico s PRO 138 Ca -0.00 1.64 -0.21 0.00 0.02 0.00 0.00 61.00 62.44 3ico s PRO 138 Cb -0.00 -1.81 0.09 0.00 0.02 0.00 0.00 34.50 32.80 3ico s PRO 138 CO -0.10 -2.04 1.21 -0.80 -0.33 0.00 0.00 177.00 174.94 3ico s ASN 139 N -2.36 6.49 0.50 2.53 0.01 -1.26 -4.80 114.94 116.06 3ico s ASN 139 Ca 0.71 -1.60 -0.23 0.00 -0.71 0.00 0.00 52.86 51.02 3ico s ASN 139 Cb -0.26 -2.46 -0.06 0.00 0.41 0.00 0.00 41.25 38.87 3ico s ASN 139 CO 0.50 -1.31 1.35 -0.36 -1.51 0.00 0.00 177.10 175.77 3ico s PHE 140 N 3.79 2.43 -0.06 2.20 0.08 -1.25 -4.74 117.98 120.42 3ico s PHE 140 Ca 0.35 1.37 -0.26 0.00 0.12 0.00 0.00 56.93 58.51 3ico s PHE 140 Cb -0.05 -3.77 -0.23 0.00 -0.57 0.00 0.00 43.02 38.39 3ico s PHE 140 CO -0.05 -2.70 1.04 -0.44 -0.10 0.00 0.00 175.22 172.97 3ico h ASP 141 N 1.82 0.09 -3.48 1.36 3.32 -0.98 0.12 116.42 118.68 3ico h ASP 141 Ca -0.51 -0.74 -0.38 0.00 0.02 0.00 0.00 57.03 55.43 3ico h ASP 141 Cb 1.28 -0.03 -0.34 0.00 0.22 0.00 0.00 39.33 40.46 3ico h ASP 141 CO 0.59 0.82 -0.76 -0.69 -1.72 0.00 0.00 179.24 177.47 3ico s VAL 142 N -3.27 0.35 -0.31 -1.35 1.01 -1.15 -1.92 120.40 113.75 3ico s VAL 142 Ca -0.17 -0.01 -0.06 0.00 0.00 0.00 0.00 61.98 61.74 3ico s VAL 142 Cb 0.00 -0.41 0.03 0.00 0.00 0.00 0.00 36.38 36.00 3ico s VAL 142 CO 0.71 0.18 0.07 -2.28 0.00 0.00 0.00 175.10 173.78 3ico s HIS 143 N 0.99 3.20 0.23 5.22 2.46 0.19 -0.92 115.29 126.65 3ico s HIS 143 Ca -0.10 -1.29 -0.30 0.00 0.47 0.00 0.00 55.06 53.84 3ico s HIS 143 Cb -0.14 -2.24 -0.09 0.00 -0.13 0.00 0.00 32.58 29.99 3ico s HIS 143 CO -0.01 -0.67 0.96 -0.51 -2.47 0.00 0.00 174.74 172.04 3ico s LEU 144 N 1.42 4.62 0.05 8.88 1.43 -0.54 -1.10 118.68 133.45 3ico s LEU 144 Ca -0.00 1.97 0.01 0.00 -1.03 0.00 0.00 54.13 55.08 3ico s LEU 144 Cb -0.18 -3.61 -0.03 0.00 0.03 0.00 0.00 46.19 42.40 3ico s LEU 144 CO 0.02 0.10 -0.06 -0.76 0.23 0.00 0.00 176.35 175.88 3ico s LEU 145 N -1.08 2.33 0.47 1.79 1.43 0.37 -4.37 118.68 119.63 3ico s LEU 145 Ca 0.42 -0.68 0.07 0.00 -1.03 0.00 0.00 54.13 52.91 3ico s LEU 145 Cb -0.26 -0.04 0.00 0.00 0.03 0.00 0.00 46.19 45.92 3ico s LEU 145 CO 0.33 -0.32 0.37 -0.83 0.23 0.00 0.00 176.35 176.13 3ico s GLY 146 N -2.00 2.24 -0.01 -3.19 0.00 -1.26 -1.58 107.32 101.52 3ico s GLY 146 Ca -0.05 -1.70 0.00 0.00 0.00 0.00 0.00 44.72 42.97 3ico s GLY 146 CO -0.02 -1.82 0.01 -0.29 0.00 0.00 0.00 173.10 170.98 3ico s MET 147 N -4.17 -0.01 0.72 2.90 1.75 -1.26 -4.48 119.30 114.74 3ico s MET 147 Ca 0.42 0.09 -0.08 0.00 -1.25 0.00 0.00 55.69 54.87 3ico s MET 147 Cb -0.02 -0.13 0.06 0.00 2.84 0.00 0.00 34.83 37.58 3ico s MET 147 CO 0.25 -0.08 1.05 0.20 -0.65 0.00 0.00 175.02 175.78 3ico s GLY 148 N 0.54 1.66 0.26 2.11 0.00 -0.19 -4.92 107.32 106.77 3ico s GLY 148 Ca -0.05 -0.82 0.23 0.00 0.00 0.00 0.00 44.72 44.08 3ico s GLY 148 CO -0.01 -0.41 1.68 -1.55 0.00 0.00 0.00 173.10 172.81 3ico n PRO 149 N -2.99 0.18 -0.31 2.90 -0.04 -1.26 -0.23 135.00 133.25 3ico n PRO 149 Ca 0.08 0.46 0.09 0.00 -0.04 0.00 0.00 63.50 64.09 3ico n PRO 149 Cb 0.60 -1.87 0.26 0.00 -0.04 0.00 0.00 33.50 32.45 3ico n PRO 149 CO 0.00 0.00 0.00 -0.85 -0.04 0.00 0.00 175.50 174.61 3ico n GLU 150 N -2.21 2.82 -0.48 0.54 0.00 -1.26 -4.33 120.64 115.73 3ico n GLU 150 Ca 0.01 -2.44 0.00 0.00 0.00 0.00 0.00 57.16 54.73 3ico n GLU 150 Cb 0.19 -1.47 0.00 0.00 0.00 0.00 0.00 31.44 30.16 3ico n GLU 150 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.13 177.54 3ico n GLY 151 N 1.18 0.76 3.77 -1.84 0.00 0.69 -4.65 105.19 105.09 3ico n GLY 151 Ca 0.20 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 45.82 3ico n GLY 151 CO 0.00 0.00 0.00 -2.38 0.00 0.00 0.00 173.32 170.94 3ico s HIS 152 N -2.20 3.33 0.20 1.61 -3.43 -1.26 -0.71 115.29 112.83 3ico s HIS 152 Ca 0.00 1.61 0.08 0.00 -0.80 0.00 0.00 55.06 55.95 3ico s HIS 152 Cb 0.00 -3.35 -0.05 0.00 -1.43 0.00 0.00 32.58 27.75 3ico s HIS 152 CO 0.00 -0.95 -0.15 0.96 -2.00 0.00 0.00 174.74 172.60 3ico s ILE 153 N -1.29 1.77 0.00 -5.38 -0.00 -1.22 -1.03 121.20 114.05 3ico s ILE 153 Ca 0.50 -2.17 0.00 0.00 -0.00 0.00 0.00 60.65 58.98 3ico s ILE 153 Cb -0.31 -2.02 0.00 0.00 -0.00 0.00 0.00 42.46 40.13 3ico s ILE 153 CO 0.40 -0.55 0.00 0.59 -0.00 0.00 0.00 174.94 175.38 3ico n ASN 154 N -0.29 0.00 -1.85 4.36 3.02 -1.26 -0.40 115.26 118.84 3ico n ASN 154 Ca -0.09 0.00 -0.20 0.00 -0.03 0.00 0.00 54.58 54.26 3ico n ASN 154 Cb 0.60 0.00 0.04 0.00 -0.61 0.00 0.00 39.78 39.81 3ico n ASN 154 CO 0.00 0.00 0.00 -1.20 -2.62 0.00 0.00 177.26 173.44 3ico n SER 155 N 2.59 4.55 -4.41 6.41 7.64 -1.26 -4.95 113.62 124.19 3ico n SER 155 Ca 0.00 -3.77 -0.44 0.00 1.01 0.00 0.00 58.87 55.67 3ico n SER 155 Cb 0.00 -0.37 -0.05 0.00 -1.01 0.00 0.00 64.21 62.78 3ico n SER 155 CO 0.00 0.00 0.00 -0.76 -3.01 0.00 0.00 175.04 171.27 3ico s LEU 156 N -3.56 5.17 0.34 -3.43 1.43 0.47 -4.94 118.68 114.16 3ico s LEU 156 Ca 0.50 -1.20 -0.00 0.00 -1.03 0.00 0.00 54.13 52.39 3ico s LEU 156 Cb 0.41 -2.37 -0.03 0.00 0.03 0.00 0.00 46.19 44.22 3ico s LEU 156 CO 0.03 -1.04 0.55 -0.36 0.23 0.00 0.00 176.35 175.75 3ico s PHE 157 N 2.74 3.50 0.45 0.29 0.08 -1.26 -3.39 117.98 120.39 3ico s PHE 157 Ca 0.13 0.38 -0.25 0.00 0.12 0.00 0.00 56.93 57.31 3ico s PHE 157 Cb -0.22 -1.91 -0.08 0.00 -0.57 0.00 0.00 43.02 40.23 3ico s PHE 157 CO 0.09 0.13 1.41 -2.30 -0.10 0.00 0.00 175.22 174.44 3ico n PRO 158 N -1.69 2.17 -2.41 0.24 -0.02 -1.26 -2.95 135.00 129.08 3ico n PRO 158 Ca -0.04 0.78 -0.18 0.00 -2.02 0.00 0.00 63.50 62.03 3ico n PRO 158 Cb 0.56 -2.60 -0.01 0.00 -0.02 0.00 0.00 33.50 31.43 3ico n PRO 158 CO 0.00 0.00 0.00 0.72 1.98 0.00 0.00 175.50 178.20 3ico n HIS 159 N -0.27 -1.14 -4.01 6.00 8.25 0.18 -4.97 115.22 119.26 3ico n HIS 159 Ca 0.06 0.00 -0.29 0.00 -0.26 0.00 0.00 57.72 57.23 3ico n HIS 159 Cb 0.41 -3.58 -0.05 0.00 1.12 0.00 0.00 29.99 27.89 3ico n HIS 159 CO 0.00 0.00 0.00 -1.54 0.64 0.00 0.00 176.34 175.44 3ico s SER 160 N -2.05 5.85 0.55 0.41 1.04 -1.15 -4.98 113.70 113.37 3ico s SER 160 Ca 0.00 0.05 0.24 0.00 0.48 0.00 0.00 55.95 56.72 3ico s SER 160 Cb 0.00 -1.65 1.46 0.00 0.10 0.00 0.00 66.02 65.93 3ico s SER 160 CO 0.00 0.13 2.08 -0.65 0.98 0.00 0.00 173.24 175.78 3ico h PRO 161 N 2.83 0.00 -0.46 4.02 0.11 -1.93 -2.87 132.00 133.70 3ico h PRO 161 Ca -0.47 0.00 -0.07 0.00 0.11 0.00 0.00 66.00 65.57 3ico h PRO 161 Cb 1.18 0.00 -0.02 0.00 0.11 0.00 0.00 31.00 32.27 3ico h PRO 161 CO 0.68 0.00 0.01 0.00 -0.21 0.00 0.00 178.00 178.48 3ico h ALA 162 N 1.83 0.62 0.00 -0.75 0.00 -1.93 -2.26 119.26 116.77 3ico h ALA 162 Ca 0.11 -0.27 0.00 0.00 0.00 0.00 0.00 54.91 54.75 3ico h ALA 162 Cb 0.51 -0.17 0.00 0.00 0.00 0.00 0.00 17.79 18.13 3ico h ALA 162 CO -0.00 0.41 0.00 -0.24 0.00 0.00 0.00 179.25 179.42 3ico h VAL 163 N 0.66 0.00 -0.01 0.00 3.04 -1.74 -2.65 116.25 115.56 3ico h VAL 163 Ca 0.13 -0.62 0.00 0.00 -1.01 0.00 0.00 66.70 65.20 3ico h VAL 163 Cb 0.49 1.60 0.00 0.00 -2.01 0.00 0.00 31.29 31.37 3ico h VAL 163 CO 0.02 0.00 -0.32 0.18 -1.01 0.00 0.00 177.57 176.44 3ico n LEU 164 N -2.95 1.05 -4.70 3.16 7.99 -1.09 -4.82 117.00 115.63 3ico n LEU 164 Ca 0.02 -0.28 -0.43 0.00 -0.01 0.00 0.00 56.01 55.31 3ico n LEU 164 Cb 0.37 -0.12 -0.03 0.00 -0.11 0.00 0.00 43.42 43.52 3ico n LEU 164 CO 0.29 0.20 1.35 1.21 -1.51 0.00 0.00 177.39 178.93 3ico n GLU 165 N -0.71 2.64 -0.00 3.23 4.07 -0.87 -4.89 120.64 124.11 3ico n GLU 165 Ca 0.11 0.95 0.01 0.00 -0.06 0.00 0.00 57.16 58.18 3ico n GLU 165 Cb 0.36 -2.79 -0.02 0.00 -0.06 0.00 0.00 31.44 28.93 3ico n GLU 165 CO 0.00 0.00 0.00 -1.13 -0.06 0.00 0.00 177.13 175.94 3ico n SER 166 N 4.14 1.20 -0.03 4.31 3.41 -1.26 -4.54 113.62 120.84 3ico n SER 166 Ca 0.17 -0.42 -0.06 0.00 -0.26 0.00 0.00 58.87 58.29 3ico n SER 166 Cb 0.34 1.03 -0.03 0.00 -0.26 0.00 0.00 64.21 65.30 3ico n SER 166 CO 0.00 0.00 0.00 0.41 -0.16 0.00 0.00 175.04 175.29 3ico n THR 167 N -1.20 0.37 -2.22 6.66 -1.04 -1.26 -4.87 114.28 110.71 3ico n THR 167 Ca 0.00 -0.11 -0.37 0.00 -2.04 0.00 0.00 64.05 61.54 3ico n THR 167 Cb 0.05 -1.36 -0.00 0.00 -1.82 0.00 0.00 70.33 67.20 3ico n THR 167 CO 0.00 0.00 0.00 -0.13 -0.64 0.00 0.00 175.07 174.30 3ico s ARG 168 N -2.12 3.68 0.27 -2.82 1.81 -1.26 -4.94 118.95 113.56 3ico s ARG 168 Ca -0.09 1.79 0.21 0.00 -1.72 0.00 0.00 55.73 55.92 3ico s ARG 168 Cb 0.03 -2.36 0.10 0.00 -0.45 0.00 0.00 34.95 32.27 3ico s ARG 168 CO 0.13 -0.62 1.26 0.52 -0.68 0.00 0.00 175.30 175.90 3ico h MET 169 N 1.93 0.00 -3.08 3.54 2.86 -1.95 -3.43 114.93 114.80 3ico h MET 169 Ca -0.49 0.00 -0.19 0.00 -2.06 0.00 0.00 59.70 56.96 3ico h MET 169 Cb 1.25 0.00 -0.29 0.00 0.06 0.00 0.00 31.60 32.63 3ico h MET 169 CO 0.60 0.13 -0.48 0.08 1.06 0.00 0.00 176.91 178.30 3ico s VAL 170 N -3.18 -0.03 0.08 -2.22 1.01 -1.26 -1.79 120.40 113.02 3ico s VAL 170 Ca 0.02 0.10 0.01 0.00 0.00 0.00 0.00 61.98 62.12 3ico s VAL 170 Cb 0.08 -0.36 -0.04 0.00 0.00 0.00 0.00 36.38 36.06 3ico s VAL 170 CO 0.75 0.04 -0.05 0.68 0.00 0.00 0.00 175.10 176.51 3ico s VAL 171 N 0.92 0.55 0.17 2.92 -7.23 -0.60 -4.80 120.40 112.31 3ico s VAL 171 Ca -0.07 -1.90 -0.09 0.00 -1.81 0.00 0.00 61.98 58.12 3ico s VAL 171 Cb -0.08 -1.63 -0.06 0.00 0.56 0.00 0.00 36.38 35.17 3ico s VAL 171 CO -0.06 -0.91 0.47 0.00 -0.31 0.00 0.00 175.10 174.29 3ico s ALA 172 N -3.71 3.66 -0.12 1.32 0.00 -1.26 -1.16 121.76 120.49 3ico s ALA 172 Ca 0.10 -0.35 0.02 0.00 0.00 0.00 0.00 51.96 51.73 3ico s ALA 172 Cb 0.06 -2.33 0.02 0.00 0.00 0.00 0.00 23.12 20.87 3ico s ALA 172 CO -0.06 0.56 -0.16 0.08 0.00 0.00 0.00 175.76 176.17 3ico s VAL 173 N -1.65 1.59 -0.51 0.00 1.01 0.10 -4.96 120.40 115.99 3ico s VAL 173 Ca 0.42 -0.69 0.04 0.00 0.00 0.00 0.00 61.98 61.75 3ico s VAL 173 Cb -0.12 -1.45 0.04 0.00 0.00 0.00 0.00 36.38 34.84 3ico s VAL 173 CO 0.21 0.46 0.68 -0.90 0.00 0.00 0.00 175.10 175.55 3ico n ASP 174 N 4.27 1.45 -2.45 3.32 5.75 -1.26 -0.45 116.55 127.18 3ico n ASP 174 Ca -0.19 -1.26 -0.05 0.00 -0.01 0.00 0.00 54.79 53.28 3ico n ASP 174 Cb 0.51 -0.01 0.05 0.00 -1.03 0.00 0.00 41.12 40.64 3ico n ASP 174 CO 0.00 0.00 0.00 -0.90 -0.11 0.00 0.00 177.20 176.19 3ico n ASP 175 N 0.20 2.35 -4.70 -1.12 5.68 -1.15 -4.53 116.55 113.28 3ico n ASP 175 Ca 0.03 -2.51 -0.43 0.00 -0.50 0.00 0.00 54.79 51.38 3ico n ASP 175 Cb 0.13 -0.43 -0.03 0.00 -1.14 0.00 0.00 41.12 39.64 3ico n ASP 175 CO 0.00 0.00 0.00 -0.24 -1.33 0.00 0.00 177.20 175.63 3ico n SER 176 N -0.55 3.88 0.24 -1.12 2.88 -0.62 -4.84 113.62 113.49 3ico n SER 176 Ca 0.16 1.03 0.16 0.00 -1.33 0.00 0.00 58.87 58.90 3ico n SER 176 Cb 0.87 -1.54 0.68 0.00 -0.75 0.00 0.00 64.21 63.47 3ico n SER 176 CO 0.00 0.00 0.00 1.55 -1.23 0.00 0.00 175.04 175.36 3ico h PRO 177 N 7.43 0.00 -5.44 -1.46 0.13 -1.93 -3.41 132.00 127.33 3ico h PRO 177 Ca -0.45 0.00 -0.63 0.00 -0.87 0.00 0.00 66.00 64.05 3ico h PRO 177 Cb 1.22 0.00 -0.14 0.00 0.13 0.00 0.00 31.00 32.21 3ico h PRO 177 CO 0.94 0.00 -0.55 0.21 -0.23 0.00 0.00 178.00 178.37 3ico s LYS 178 N -3.61 3.77 0.50 0.86 2.20 -1.26 -5.08 119.74 117.11 3ico s LYS 178 Ca 0.01 -0.31 -0.21 0.00 -0.36 0.00 0.00 55.97 55.11 3ico s LYS 178 Cb 0.09 -3.17 -0.07 0.00 -1.51 0.00 0.00 37.83 33.17 3ico s LYS 178 CO 0.47 0.42 1.10 -1.25 -0.36 0.00 0.00 175.35 175.73 3ico s PRO 179 N -0.04 3.64 0.53 4.03 0.04 -1.26 -4.29 135.00 137.64 3ico s PRO 179 Ca 0.07 1.54 -0.20 0.00 0.04 0.00 0.00 61.00 62.45 3ico s PRO 179 Cb -0.12 -2.14 -0.07 0.00 0.04 0.00 0.00 34.50 32.21 3ico s PRO 179 CO 0.01 -0.60 1.10 -1.25 0.04 0.00 0.00 177.00 176.30 3ico s PRO 180 N -3.11 3.49 0.49 0.56 0.04 -1.26 -5.08 135.00 130.13 3ico s PRO 180 Ca 0.68 1.53 0.19 0.00 0.04 0.00 0.00 61.00 63.44 3ico s PRO 180 Cb -0.22 -2.03 1.24 0.00 0.04 0.00 0.00 34.50 33.53 3ico s PRO 180 CO 0.25 -0.72 2.07 -1.00 0.04 0.00 0.00 177.00 177.65 3ico h PRO 181 N 1.30 0.00 -5.07 0.56 0.13 -1.81 -3.43 132.00 123.68 3ico h PRO 181 Ca -0.50 0.00 -0.64 0.00 -0.87 0.00 0.00 66.00 63.99 3ico h PRO 181 Cb 1.25 0.00 -0.21 0.00 0.13 0.00 0.00 31.00 32.17 3ico h PRO 181 CO 0.58 0.11 -0.62 1.03 -0.23 0.00 0.00 178.00 178.87 3ico s ARG 182 N -4.64 3.71 0.10 0.86 0.52 -1.26 -1.59 118.95 116.65 3ico s ARG 182 Ca -0.04 -0.46 0.02 0.00 -0.52 0.00 0.00 55.73 54.73 3ico s ARG 182 Cb 0.15 -3.23 -0.04 0.00 0.52 0.00 0.00 34.95 32.35 3ico s ARG 182 CO 0.65 -0.03 -0.08 1.03 0.02 0.00 0.00 175.30 176.90 3ico s ARG 183 N 1.17 0.82 -0.09 3.54 3.00 0.41 -0.36 118.95 127.44 3ico s ARG 183 Ca 0.04 -1.25 -0.02 0.00 0.00 0.00 0.00 55.73 54.50 3ico s ARG 183 Cb -0.14 -0.30 -0.03 0.00 0.00 0.00 0.00 34.95 34.47 3ico s ARG 183 CO 0.03 0.01 -0.02 0.42 0.00 0.00 0.00 175.30 175.74 3ico s ILE 184 N -3.16 4.13 -0.04 1.52 1.01 -0.71 0.00 121.20 123.96 3ico s ILE 184 Ca 0.09 -0.31 -0.05 0.00 0.00 0.00 0.00 60.65 60.38 3ico s ILE 184 Cb 0.02 -2.74 0.01 0.00 0.01 0.00 0.00 42.46 39.76 3ico s ILE 184 CO -0.03 0.58 0.14 0.28 0.00 0.00 0.00 174.94 175.91 3ico s THR 185 N -0.65 0.02 0.59 2.92 -1.32 -0.31 -1.07 115.64 115.82 3ico s THR 185 Ca 0.10 -0.15 -0.18 0.00 -1.21 0.00 0.00 61.69 60.25 3ico s THR 185 Cb -0.12 -0.25 -0.04 0.00 -1.51 0.00 0.00 72.50 70.59 3ico s THR 185 CO 0.02 -0.08 1.14 -0.76 -2.21 0.00 0.00 174.62 172.73 3ico s LEU 186 N -0.22 3.63 0.47 9.08 1.43 0.12 -1.56 118.68 131.63 3ico s LEU 186 Ca -0.03 2.16 0.08 0.00 -1.03 0.00 0.00 54.13 55.32 3ico s LEU 186 Cb -0.02 -4.58 0.03 0.00 0.03 0.00 0.00 46.19 41.65 3ico s LEU 186 CO 0.00 -1.41 0.63 0.42 0.23 0.00 0.00 176.35 176.22 3ico s THR 187 N -1.90 2.69 0.23 5.49 -4.23 -0.74 -4.73 115.64 112.45 3ico s THR 187 Ca 0.72 -1.03 -0.07 0.00 -1.18 0.00 0.00 61.69 60.13 3ico s THR 187 Cb -0.24 -2.71 0.18 0.00 1.34 0.00 0.00 72.50 71.07 3ico s THR 187 CO 0.32 0.00 1.82 -0.07 -0.54 0.00 0.00 174.62 176.15 3ico h LEU 188 N 0.52 0.64 -1.46 4.79 3.38 -1.84 -0.10 115.31 121.24 3ico h LEU 188 Ca -0.37 0.03 -0.02 0.00 0.09 0.00 0.00 57.88 57.62 3ico h LEU 188 Cb 1.28 -0.09 -0.02 0.00 0.09 0.00 0.00 40.66 41.92 3ico h LEU 188 CO 0.45 0.40 0.17 -0.65 0.09 0.00 0.00 178.44 178.89 3ico h PRO 189 N 0.77 0.53 -0.33 1.13 0.11 -1.84 -0.20 132.00 132.17 3ico h PRO 189 Ca 0.34 -0.06 -0.10 0.00 0.11 0.00 0.00 66.00 66.29 3ico h PRO 189 Cb 0.24 -0.10 -0.01 0.00 0.11 0.00 0.00 31.00 31.24 3ico h PRO 189 CO -0.20 0.43 -0.21 0.00 -0.21 0.00 0.00 178.00 177.81 3ico h ALA 190 N 1.66 0.46 -0.83 -0.75 0.00 -1.55 -2.94 119.26 115.31 3ico h ALA 190 Ca 0.13 -0.36 -0.01 0.00 0.00 0.00 0.00 54.91 54.67 3ico h ALA 190 Cb 0.09 -0.11 -0.04 0.00 0.00 0.00 0.00 17.79 17.73 3ico h ALA 190 CO -0.02 0.42 0.49 0.82 0.00 0.00 0.00 179.25 180.96 3ico h ILE 191 N 0.48 1.24 0.00 0.00 2.04 -0.67 -2.77 117.51 117.83 3ico h ILE 191 Ca 0.07 -0.54 0.00 0.00 1.00 0.00 0.00 64.86 65.38 3ico h ILE 191 Cb 0.75 0.09 0.00 0.00 -0.74 0.00 0.00 36.82 36.92 3ico h ILE 191 CO 0.06 0.25 0.00 0.00 0.00 0.00 0.00 178.15 178.46 3ico n GLN 192 N -4.42 0.27 0.13 2.37 6.02 -0.12 -1.73 117.38 119.89 3ico n GLN 192 Ca 0.08 0.08 0.13 0.00 -0.01 0.00 0.00 57.00 57.28 3ico n GLN 192 Cb 0.07 -1.50 0.38 0.00 1.02 0.00 0.00 30.24 30.21 3ico n GLN 192 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 177.06 176.05 3ico h ARG 193 N 0.00 0.00 -6.85 -1.09 3.08 -1.31 -3.37 114.38 104.84 3ico h ARG 193 Ca 0.00 0.00 -0.51 0.00 0.07 0.00 0.00 59.98 59.54 3ico h ARG 193 Cb 0.24 0.00 0.03 0.00 0.08 0.00 0.00 29.97 30.32 3ico h ARG 193 CO 0.00 0.00 0.50 -1.12 -1.07 0.00 0.00 179.97 178.28 3ico s SER 194 N -4.81 7.05 0.14 7.04 0.01 -0.70 -3.95 113.70 118.48 3ico s SER 194 Ca 0.10 2.34 -0.18 0.00 1.31 0.00 0.00 55.95 59.52 3ico s SER 194 Cb 0.11 -2.63 -0.02 0.00 0.21 0.00 0.00 66.02 63.69 3ico s SER 194 CO 0.60 -0.30 1.80 0.03 0.41 0.00 0.00 173.24 175.77 3ico h ARG 195 N 3.49 0.42 -5.50 12.44 3.08 -0.85 0.69 114.38 128.15 3ico h ARG 195 Ca -0.47 -0.03 -0.55 0.00 0.07 0.00 0.00 59.98 59.00 3ico h ARG 195 Cb 1.22 -0.09 -0.30 0.00 0.08 0.00 0.00 29.97 30.87 3ico h ARG 195 CO 0.66 0.28 -0.83 -1.21 -1.07 0.00 0.00 179.97 177.79 3ico s GLU 196 N -6.17 1.55 -0.12 0.04 2.02 -0.81 -0.65 118.70 114.57 3ico s GLU 196 Ca -0.13 -0.61 0.03 0.00 0.02 0.00 0.00 54.97 54.28 3ico s GLU 196 Cb 0.10 -1.43 0.01 0.00 0.10 0.00 0.00 34.13 32.90 3ico s GLU 196 CO 0.71 0.32 -0.22 0.08 0.02 0.00 0.00 175.26 176.17 3ico s VAL 197 N -0.22 1.97 -0.13 2.63 1.01 -0.71 -0.64 120.40 124.31 3ico s VAL 197 Ca 0.02 -0.94 0.03 0.00 0.00 0.00 0.00 61.98 61.09 3ico s VAL 197 Cb -0.09 -1.73 0.01 0.00 0.00 0.00 0.00 36.38 34.57 3ico s VAL 197 CO 0.00 0.54 -0.22 0.26 0.00 0.00 0.00 175.10 175.68 3ico s TRP 198 N 0.65 2.65 -0.23 5.22 0.52 -0.25 -0.60 118.94 126.90 3ico s TRP 198 Ca -0.12 -1.29 -0.05 0.00 0.02 0.00 0.00 56.10 54.66 3ico s TRP 198 Cb -0.16 -1.80 -0.01 0.00 -1.15 0.00 0.00 33.47 30.35 3ico s TRP 198 CO 0.02 -0.58 0.00 -0.51 0.02 0.00 0.00 176.95 175.91 3ico s LEU 199 N 0.73 3.12 -0.50 2.99 1.02 0.07 -0.48 118.68 125.64 3ico s LEU 199 Ca -0.09 -0.35 -0.13 0.00 0.02 0.00 0.00 54.13 53.58 3ico s LEU 199 Cb -0.16 -1.81 0.12 0.00 0.02 0.00 0.00 46.19 44.36 3ico s LEU 199 CO 0.00 -0.03 0.41 -0.76 0.02 0.00 0.00 176.35 175.98 3ico s LEU 200 N 1.52 5.85 -0.09 1.79 1.02 -0.62 -0.72 118.68 127.44 3ico s LEU 200 Ca 0.06 -1.77 0.01 0.00 0.02 0.00 0.00 54.13 52.45 3ico s LEU 200 Cb -0.15 -2.11 0.02 0.00 0.02 0.00 0.00 46.19 43.97 3ico s LEU 200 CO -0.01 -0.75 -0.11 -0.69 0.02 0.00 0.00 176.35 174.81 3ico s VAL 201 N 1.50 1.19 0.02 -1.59 1.01 -0.28 -4.50 120.40 117.74 3ico s VAL 201 Ca 0.04 -0.46 -0.02 0.00 0.00 0.00 0.00 61.98 61.55 3ico s VAL 201 Cb -0.27 -1.12 -0.02 0.00 0.00 0.00 0.00 36.38 34.97 3ico s VAL 201 CO 0.02 0.38 0.01 -0.94 0.00 0.00 0.00 175.10 174.57 3ico s SER 202 N 1.09 0.22 0.00 3.32 1.04 -1.26 -2.18 113.70 115.93 3ico s SER 202 Ca -0.06 -0.50 0.00 0.00 0.48 0.00 0.00 55.95 55.87 3ico s SER 202 Cb -0.14 0.14 0.00 0.00 0.10 0.00 0.00 66.02 66.11 3ico s SER 202 CO -0.02 -0.36 0.00 0.61 0.98 0.00 0.00 173.24 174.45 3ico n GLY 203 N 1.36 3.07 0.23 7.32 0.00 -1.26 -4.71 105.19 111.20 3ico n GLY 203 Ca -0.22 -1.63 0.06 0.00 0.00 0.00 0.00 46.02 44.22 3ico n GLY 203 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 3ico h PRO 204 N 0.00 0.00 -0.17 1.61 0.13 -1.97 -1.84 132.00 129.76 3ico h PRO 204 Ca 0.00 0.00 0.05 0.00 -0.87 0.00 0.00 66.00 65.18 3ico h PRO 204 Cb 0.00 0.00 -0.01 0.00 0.13 0.00 0.00 31.00 31.12 3ico h PRO 204 CO 0.00 0.13 0.23 0.78 -0.23 0.00 0.00 178.00 178.91 3ico h GLY 205 N 0.41 0.00 -0.62 1.56 0.00 -1.91 -2.75 103.07 99.75 3ico h GLY 205 Ca -0.00 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.33 3ico h GLY 205 CO 0.02 0.00 -0.56 0.28 0.00 0.00 0.00 176.54 176.28 3ico n LYS 206 N -3.62 0.91 -0.18 4.80 4.76 -0.69 -4.57 118.16 119.56 3ico n LYS 206 Ca 0.01 -0.73 -0.07 0.00 -2.87 0.00 0.00 58.31 54.65 3ico n LYS 206 Cb 0.34 -1.48 0.02 0.00 -1.84 0.00 0.00 35.03 32.07 3ico n LYS 206 CO 0.00 0.00 0.00 0.00 -1.37 0.00 0.00 177.40 176.03 3ico h ALA 207 N 3.67 0.68 -0.28 7.82 0.00 -1.56 -1.58 119.26 128.01 3ico h ALA 207 Ca 0.00 -0.11 0.05 0.00 0.00 0.00 0.00 54.91 54.84 3ico h ALA 207 Cb 0.68 -0.21 -0.04 0.00 0.00 0.00 0.00 17.79 18.21 3ico h ALA 207 CO 0.00 0.23 0.01 -0.44 0.00 0.00 0.00 179.25 179.05 3ico h ASP 208 N 0.71 -0.08 -0.45 0.00 3.45 -1.83 -1.41 116.42 116.80 3ico h ASP 208 Ca 0.18 0.06 -0.07 0.00 0.43 0.00 0.00 57.03 57.63 3ico h ASP 208 Cb 0.09 0.10 -0.02 0.00 -0.56 0.00 0.00 39.33 38.94 3ico h ASP 208 CO -0.03 -0.01 0.04 0.00 -1.57 0.00 0.00 179.24 177.68 3ico h ALA 209 N 1.23 1.10 0.28 3.45 0.00 -1.69 0.08 119.26 123.72 3ico h ALA 209 Ca 0.13 -0.25 -0.01 0.00 0.00 0.00 0.00 54.91 54.78 3ico h ALA 209 Cb 0.17 -0.21 0.00 0.00 0.00 0.00 0.00 17.79 17.75 3ico h ALA 209 CO -0.21 0.58 -0.14 0.28 0.00 0.00 0.00 179.25 179.76 3ico h VAL 210 N 0.79 0.74 -0.80 0.00 2.07 -1.07 0.16 116.25 118.15 3ico h VAL 210 Ca 0.16 -0.09 -0.03 0.00 0.82 0.00 0.00 66.70 67.56 3ico h VAL 210 Cb 0.42 0.79 -0.04 0.00 -1.52 0.00 0.00 31.29 30.94 3ico h VAL 210 CO 0.01 0.02 0.38 0.00 0.02 0.00 0.00 177.57 178.01 3ico h ALA 211 N 0.29 1.18 -0.36 1.67 0.00 -1.13 0.44 119.26 121.35 3ico h ALA 211 Ca -0.04 -0.15 -0.04 0.00 0.00 0.00 0.00 54.91 54.67 3ico h ALA 211 Cb 0.32 -0.32 -0.01 0.00 0.00 0.00 0.00 17.79 17.78 3ico h ALA 211 CO 0.06 0.63 0.05 0.00 0.00 0.00 0.00 179.25 179.99 3ico h ALA 212 N 1.29 0.48 -0.10 0.00 0.00 -0.80 -0.16 119.26 119.97 3ico h ALA 212 Ca 0.27 -0.21 -0.01 0.00 0.00 0.00 0.00 54.91 54.97 3ico h ALA 212 Cb 0.11 -0.14 -0.00 0.00 0.00 0.00 0.00 17.79 17.76 3ico h ALA 212 CO -0.04 0.19 0.03 0.00 0.00 0.00 0.00 179.25 179.44 3ico h ALA 213 N 0.90 0.13 0.00 0.00 0.00 -0.31 -2.35 119.26 117.63 3ico h ALA 213 Ca 0.11 -0.12 -0.07 0.00 0.00 0.00 0.00 54.91 54.83 3ico h ALA 213 Cb 0.37 -0.04 -0.01 0.00 0.00 0.00 0.00 17.79 18.11 3ico h ALA 213 CO 0.01 -0.26 -0.34 0.82 0.00 0.00 0.00 179.25 179.47 3ico h ILE 214 N -0.03 1.04 -0.14 0.00 2.04 -0.91 -2.90 117.51 116.60 3ico h ILE 214 Ca 0.03 -1.27 -0.00 0.00 1.00 0.00 0.00 64.86 64.62 3ico h ILE 214 Cb 0.21 1.73 -0.00 0.00 -0.74 0.00 0.00 36.82 38.02 3ico h ILE 214 CO -0.00 0.34 0.01 0.61 0.00 0.00 0.00 178.15 179.10 3ico n GLY 215 N -0.25 1.89 1.11 5.37 0.00 -0.08 -4.89 105.19 108.34 3ico n GLY 215 Ca -0.01 -0.23 0.00 0.00 0.00 0.00 0.00 46.02 45.78 3ico n GLY 215 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3ico n GLY 216 N 0.15 0.71 3.52 -0.02 0.00 -1.10 -5.00 105.19 103.46 3ico n GLY 216 Ca 0.07 -0.08 -0.34 0.00 0.00 0.00 0.00 46.02 45.67 3ico n GLY 216 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3ico n ALA 217 N -0.34 -1.36 -1.87 4.61 0.00 -0.90 -4.94 120.51 115.71 3ico n ALA 217 Ca 0.00 -0.37 -0.41 0.00 0.00 0.00 0.00 53.44 52.66 3ico n ALA 217 Cb 0.00 -1.96 -0.03 0.00 0.00 0.00 0.00 19.45 17.46 3ico n ALA 217 CO 0.00 0.00 0.00 0.34 0.00 0.00 0.00 177.50 177.84 3ico s ASP 218 N -1.82 6.89 0.56 0.00 2.15 -1.26 -4.80 116.67 118.39 3ico s ASP 218 Ca 0.65 2.51 0.25 0.00 0.43 0.00 0.00 52.55 56.39 3ico s ASP 218 Cb -0.29 -2.63 1.56 0.00 -0.30 0.00 0.00 42.92 41.26 3ico s ASP 218 CO 0.58 -0.48 2.15 -0.65 -0.17 0.00 0.00 175.17 176.60 3ico h PRO 219 N 4.32 0.00 -0.19 4.34 0.11 -1.88 -0.16 132.00 138.54 3ico h PRO 219 Ca -0.47 0.00 -0.08 0.00 0.11 0.00 0.00 66.00 65.56 3ico h PRO 219 Cb 1.22 0.00 -0.01 0.00 0.11 0.00 0.00 31.00 32.32 3ico h PRO 219 CO 0.71 0.00 -0.25 0.28 -0.21 0.00 0.00 178.00 178.53 3ico h VAL 220 N 0.00 1.25 0.14 3.15 2.07 -1.91 -1.60 116.25 119.36 3ico h VAL 220 Ca 0.06 -1.19 -0.27 0.00 0.82 0.00 0.00 66.70 66.11 3ico h VAL 220 Cb 0.28 1.39 0.01 0.00 -1.52 0.00 0.00 31.29 31.44 3ico h VAL 220 CO -0.00 0.37 -1.35 0.28 0.02 0.00 0.00 177.57 176.89 3ico h SER 221 N 0.31 0.48 -3.46 0.57 0.02 -1.68 0.53 113.55 110.33 3ico h SER 221 Ca 0.05 -0.89 -0.61 0.00 -0.84 0.00 0.00 61.79 59.50 3ico h SER 221 Cb 0.62 -0.15 -0.40 0.00 0.14 0.00 0.00 62.40 62.60 3ico h SER 221 CO 0.04 1.61 -0.74 -0.69 -1.14 0.00 0.00 176.83 175.91 3ico s VAL 222 N -2.49 1.35 0.37 2.27 1.01 -0.17 -4.66 120.40 118.07 3ico s VAL 222 Ca -0.17 -2.35 0.16 0.00 0.00 0.00 0.00 61.98 59.62 3ico s VAL 222 Cb 0.04 -1.96 0.37 0.00 0.00 0.00 0.00 36.38 34.83 3ico s VAL 222 CO 0.81 -0.85 1.74 -0.65 0.00 0.00 0.00 175.10 176.15 3ico h PRO 223 N 7.00 0.42 -0.70 2.72 0.11 -1.19 -0.77 132.00 139.60 3ico h PRO 223 Ca -0.03 -0.03 0.20 0.00 0.11 0.00 0.00 66.00 66.25 3ico h PRO 223 Cb 0.95 -0.10 -0.03 0.00 0.11 0.00 0.00 31.00 31.93 3ico h PRO 223 CO 0.48 0.28 0.50 0.00 -0.21 0.00 0.00 178.00 179.05 3ico h ALA 224 N 1.67 2.62 -0.19 -0.75 0.00 -1.19 0.27 119.26 121.70 3ico h ALA 224 Ca 0.63 -0.02 0.05 0.00 0.00 0.00 0.00 54.91 55.58 3ico h ALA 224 Cb 1.49 0.04 -0.01 0.00 0.00 0.00 0.00 17.79 19.31 3ico h ALA 224 CO -0.38 -0.82 0.18 0.00 0.00 0.00 0.00 179.25 178.23 3ico h ALA 225 N 1.65 1.87 -0.00 0.00 0.00 -1.41 -1.78 119.26 119.58 3ico h ALA 225 Ca 0.33 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 55.24 3ico h ALA 225 Cb 1.29 0.01 0.00 0.00 0.00 0.00 0.00 17.79 19.10 3ico h ALA 225 CO -0.01 -0.28 -0.38 0.41 0.00 0.00 0.00 179.25 178.98 3ico n GLY 226 N -1.43 -0.97 3.54 0.00 0.00 0.08 -4.71 105.19 101.70 3ico n GLY 226 Ca 0.02 -0.37 -0.43 0.00 0.00 0.00 0.00 46.02 45.23 3ico n GLY 226 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3ico n ALA 227 N -1.12 3.67 -3.35 4.61 0.00 -0.67 -4.79 120.51 118.85 3ico n ALA 227 Ca 0.09 -3.95 -0.29 0.00 0.00 0.00 0.00 53.44 49.28 3ico n ALA 227 Cb 0.34 -3.46 -0.17 0.00 0.00 0.00 0.00 19.45 16.16 3ico n ALA 227 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 177.50 177.64 3ico s VAL 228 N 3.52 1.68 0.57 0.00 -7.23 -1.26 -4.91 120.40 112.76 3ico s VAL 228 Ca 0.51 -0.79 -0.15 0.00 -1.81 0.00 0.00 61.98 59.74 3ico s VAL 228 Cb 0.02 -1.48 -0.05 0.00 0.56 0.00 0.00 36.38 35.44 3ico s VAL 228 CO 0.06 0.48 1.02 -0.83 -0.31 0.00 0.00 175.10 175.52 3ico s GLY 229 N 0.52 1.99 0.33 2.32 0.00 -1.20 -4.22 107.32 107.06 3ico s GLY 229 Ca -0.16 0.21 0.02 0.00 0.00 0.00 0.00 44.72 44.78 3ico s GLY 229 CO 0.06 0.50 1.92 3.21 0.00 0.00 0.00 173.10 178.79 3ico h ARG 230 N 0.43 0.75 0.00 2.90 3.08 -0.70 -3.34 114.38 117.50 3ico h ARG 230 Ca -0.46 -0.10 -0.31 0.00 0.07 0.00 0.00 59.98 59.17 3ico h ARG 230 Cb 1.20 -0.14 -0.05 0.00 0.08 0.00 0.00 29.97 31.06 3ico h ARG 230 CO 0.60 0.61 -2.05 1.04 -1.07 0.00 0.00 179.97 179.10 3ico n GLN 231 N -4.35 0.41 -3.82 0.04 6.02 0.18 -4.46 117.38 111.40 3ico n GLN 231 Ca 0.04 0.16 -0.10 0.00 -0.01 0.00 0.00 57.00 57.10 3ico n GLN 231 Cb 0.15 -1.20 -0.05 0.00 1.02 0.00 0.00 30.24 30.15 3ico n GLN 231 CO 0.00 0.00 0.00 0.54 -1.01 0.00 0.00 177.06 176.59 3ico s ASN 232 N -6.53 -0.13 -0.15 1.08 4.22 -0.69 -1.86 114.94 110.88 3ico s ASN 232 Ca -0.26 -0.62 -0.02 0.00 -2.14 0.00 0.00 52.86 49.83 3ico s ASN 232 Cb 0.09 0.50 0.04 0.00 1.28 0.00 0.00 41.25 43.17 3ico s ASN 232 CO 0.35 -0.96 -0.01 -0.89 -2.04 0.00 0.00 177.10 173.55 3ico s THR 233 N -3.90 0.71 -0.27 0.54 2.01 -0.60 -1.73 115.64 112.40 3ico s THR 233 Ca 0.11 -0.41 -0.05 0.00 0.31 0.00 0.00 61.69 61.65 3ico s THR 233 Cb 0.01 -1.00 0.01 0.00 0.01 0.00 0.00 72.50 71.53 3ico s THR 233 CO -0.03 0.05 0.04 -0.22 -0.69 0.00 0.00 174.62 173.76 3ico s LEU 234 N 1.80 3.54 -0.37 4.42 2.96 0.23 -0.41 118.68 130.85 3ico s LEU 234 Ca 0.01 -0.63 -0.18 0.00 -0.22 0.00 0.00 54.13 53.11 3ico s LEU 234 Cb -0.15 -1.83 0.00 0.00 0.50 0.00 0.00 46.19 44.72 3ico s LEU 234 CO -0.07 -0.14 0.52 0.26 -1.32 0.00 0.00 176.35 175.60 3ico s TRP 235 N 1.48 3.16 -0.39 5.38 0.52 0.62 -0.75 118.94 128.96 3ico s TRP 235 Ca 0.03 0.08 -0.10 0.00 0.02 0.00 0.00 56.10 56.14 3ico s TRP 235 Cb -0.16 -2.98 0.05 0.00 -1.15 0.00 0.00 33.47 29.23 3ico s TRP 235 CO 0.00 -0.60 0.21 -0.51 0.02 0.00 0.00 176.95 176.08 3ico s LEU 236 N 2.42 4.83 -0.00 2.99 1.43 0.10 -0.68 118.68 129.77 3ico s LEU 236 Ca 0.18 -1.22 0.07 0.00 -1.03 0.00 0.00 54.13 52.14 3ico s LEU 236 Cb -0.15 -1.99 -0.02 0.00 0.03 0.00 0.00 46.19 44.06 3ico s LEU 236 CO 0.14 -0.44 -0.23 -0.76 0.23 0.00 0.00 176.35 175.29 3ico s LEU 237 N 1.48 2.27 0.74 1.79 1.43 -0.01 -1.13 118.68 125.25 3ico s LEU 237 Ca 0.02 -0.44 -0.08 0.00 -1.03 0.00 0.00 54.13 52.60 3ico s LEU 237 Cb -0.21 -1.39 0.07 0.00 0.03 0.00 0.00 46.19 44.70 3ico s LEU 237 CO 0.04 0.30 1.06 1.51 0.23 0.00 0.00 176.35 179.49 3ico s ASP 238 N -0.89 4.65 0.22 2.29 -4.77 -0.93 0.05 116.67 117.29 3ico s ASP 238 Ca 0.11 0.47 -0.08 0.00 -3.30 0.00 0.00 52.55 49.75 3ico s ASP 238 Cb -0.10 -1.05 0.33 0.00 -1.09 0.00 0.00 42.92 41.00 3ico s ASP 238 CO 0.01 -1.72 1.72 0.08 0.70 0.00 0.00 175.17 175.95 3ico h ARG 239 N -0.73 0.32 -0.60 2.11 -0.00 -1.12 -2.17 114.38 112.19 3ico h ARG 239 Ca -0.44 -0.02 -0.04 0.00 -0.00 0.00 0.00 59.98 59.48 3ico h ARG 239 Cb 1.31 -0.07 -0.03 0.00 -0.00 0.00 0.00 29.97 31.18 3ico h ARG 239 CO 0.59 0.21 0.21 -0.44 -0.00 0.00 0.00 179.97 180.54 3ico h ASP 240 N 0.33 0.85 1.09 0.08 3.32 -1.89 -2.29 116.42 117.90 3ico h ASP 240 Ca 0.34 -0.19 0.00 0.00 0.02 0.00 0.00 57.03 57.19 3ico h ASP 240 Cb 0.49 -0.22 0.00 0.00 0.22 0.00 0.00 39.33 39.82 3ico h ASP 240 CO -0.38 0.81 0.00 0.00 -1.72 0.00 0.00 179.24 177.95 3ico h ALA 241 N 1.07 1.00 -0.01 3.45 0.00 -1.51 -2.61 119.26 120.65 3ico h ALA 241 Ca 0.19 0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.10 3ico h ALA 241 Cb 0.25 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.04 3ico h ALA 241 CO -0.01 0.00 -0.34 0.00 0.00 0.00 0.00 179.25 178.90 3ico n ALA 242 N -2.09 3.26 0.30 0.00 0.00 -0.86 -4.26 120.51 116.87 3ico n ALA 242 Ca 0.01 -0.55 0.17 0.00 0.00 0.00 0.00 53.44 53.06 3ico n ALA 242 Cb 0.32 -0.94 0.76 0.00 0.00 0.00 0.00 19.45 19.60 3ico n ALA 242 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 3ico h ALA 243 N 3.90 1.00 -0.01 0.00 0.00 -1.01 -1.96 119.26 121.17 3ico h ALA 243 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.91 3ico h ALA 243 Cb 0.67 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.46 3ico h ALA 243 CO 0.00 0.00 -0.43 1.63 0.00 0.00 0.00 179.25 180.45 3ico n LYS 244 N -2.77 0.98 -1.95 0.00 4.76 -1.26 -4.92 118.16 112.99 3ico n LYS 244 Ca -0.00 -0.74 -0.38 0.00 -2.87 0.00 0.00 58.31 54.32 3ico n LYS 244 Cb 0.19 -1.48 0.02 0.00 -1.84 0.00 0.00 35.03 31.92 3ico n LYS 244 CO 0.00 0.00 0.00 -0.51 -1.37 0.00 0.00 177.40 175.52 3ico s LEU 245 N -2.53 3.89 0.46 -0.35 1.43 -0.74 -4.83 118.68 116.01 3ico s LEU 245 Ca 0.20 2.59 -0.24 0.00 -1.03 0.00 0.00 54.13 55.64 3ico s LEU 245 Cb 0.18 -4.29 -0.08 0.00 0.03 0.00 0.00 46.19 42.03 3ico s LEU 245 CO 0.57 -1.37 1.31 -0.81 0.23 0.00 0.00 176.35 176.29 3ico n PRO 246 N -0.90 1.91 0.00 1.29 -0.04 -1.26 -5.12 135.00 130.87 3ico n PRO 246 Ca 0.10 0.69 0.00 0.00 -0.04 0.00 0.00 63.50 64.24 3ico n PRO 246 Cb 0.46 -2.47 0.00 0.00 -0.04 0.00 0.00 33.50 31.45 3ico n PRO 246 CO 0.00 0.00 0.00 -1.13 -0.04 0.00 0.00 175.50 174.33