#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3ico s SER 4 N 0.00 0.01 -0.11 -3.46 1.04 -0.28 -4.96 113.70 105.94 3ico s SER 4 Ca 0.00 -0.58 0.03 0.00 0.48 0.00 0.00 55.95 55.87 3ico s SER 4 Cb 0.00 0.39 -0.00 0.00 0.10 0.00 0.00 66.02 66.51 3ico s SER 4 CO 0.00 -0.79 -0.21 -0.63 0.98 0.00 0.00 173.24 172.59 3ico s ILE 5 N -3.86 2.37 -0.10 -1.02 1.01 -1.26 -0.80 121.20 117.54 3ico s ILE 5 Ca 0.06 -0.91 0.02 0.00 0.00 0.00 0.00 60.65 59.82 3ico s ILE 5 Cb 0.04 -1.93 0.01 0.00 0.01 0.00 0.00 42.46 40.59 3ico s ILE 5 CO -0.10 0.55 -0.15 -1.61 0.00 0.00 0.00 174.94 173.63 3ico s GLU 6 N 0.32 2.16 -0.12 2.79 2.02 -0.31 -4.98 118.70 120.58 3ico s GLU 6 Ca -0.16 -0.55 -0.02 0.00 0.02 0.00 0.00 54.97 54.27 3ico s GLU 6 Cb -0.17 -1.81 -0.03 0.00 0.10 0.00 0.00 34.13 32.22 3ico s GLU 6 CO 0.08 -0.02 -0.06 0.42 0.02 0.00 0.00 175.26 175.69 3ico s ILE 7 N 0.87 3.68 0.24 -1.63 1.01 -1.26 -1.28 121.20 122.83 3ico s ILE 7 Ca -0.09 -0.45 0.10 0.00 0.00 0.00 0.00 60.65 60.21 3ico s ILE 7 Cb -0.15 -2.57 -0.05 0.00 0.01 0.00 0.00 42.46 39.70 3ico s ILE 7 CO 0.00 0.53 -0.18 -0.36 0.00 0.00 0.00 174.94 174.94 3ico s PHE 8 N 0.00 2.02 0.38 3.97 0.40 0.09 -4.96 117.98 119.88 3ico s PHE 8 Ca -0.01 -0.44 0.05 0.00 -0.60 0.00 0.00 56.93 55.94 3ico s PHE 8 Cb -0.14 -0.90 0.74 0.00 0.51 0.00 0.00 43.02 43.23 3ico s PHE 8 CO 0.03 0.55 2.00 -1.35 0.70 0.00 0.00 175.22 177.15 3ico h PRO 9 N 2.44 0.59 -3.69 0.24 0.11 -1.95 -0.82 132.00 128.92 3ico h PRO 9 Ca -0.39 -0.06 -0.13 0.00 0.11 0.00 0.00 66.00 65.53 3ico h PRO 9 Cb 1.24 -0.12 -0.07 0.00 0.11 0.00 0.00 31.00 32.16 3ico h PRO 9 CO 0.60 0.45 -0.06 0.16 -0.21 0.00 0.00 178.00 178.94 3ico s ASP 10 N -6.66 0.30 0.47 -2.05 1.47 -1.26 -3.98 116.67 104.96 3ico s ASP 10 Ca -0.08 -1.17 0.26 0.00 1.18 0.00 0.00 52.55 52.73 3ico s ASP 10 Cb 0.17 0.67 1.07 0.00 -0.34 0.00 0.00 42.92 44.49 3ico s ASP 10 CO 0.75 -1.31 1.89 0.77 0.68 0.00 0.00 175.17 177.94 3ico h SER 11 N 2.14 0.00 -0.14 2.11 4.64 -1.94 -2.04 113.55 118.33 3ico h SER 11 Ca -0.28 0.00 -0.04 0.00 -0.47 0.00 0.00 61.79 61.00 3ico h SER 11 Cb 1.25 0.00 -0.00 0.00 -0.31 0.00 0.00 62.40 63.33 3ico h SER 11 CO 0.37 0.18 -0.06 0.44 -0.87 0.00 0.00 176.83 176.89 3ico h ASP 12 N 0.00 0.30 -0.57 4.97 3.32 -1.99 -1.00 116.42 121.44 3ico h ASP 12 Ca -0.00 -0.41 -0.09 0.00 0.02 0.00 0.00 57.03 56.55 3ico h ASP 12 Cb 0.65 -0.08 -0.02 0.00 0.22 0.00 0.00 39.33 40.09 3ico h ASP 12 CO 0.02 0.64 -0.01 0.40 -1.72 0.00 0.00 179.24 178.57 3ico h ILE 13 N -0.04 1.27 0.13 0.35 2.04 -1.94 -1.87 117.51 117.43 3ico h ILE 13 Ca 0.03 -1.15 0.01 0.00 1.00 0.00 0.00 64.86 64.76 3ico h ILE 13 Cb 0.52 0.86 -0.05 0.00 -0.74 0.00 0.00 36.82 37.41 3ico h ILE 13 CO 0.02 0.41 -0.51 0.25 0.00 0.00 0.00 178.15 178.32 3ico h LEU 14 N 0.91 -1.52 -0.85 1.44 6.46 -1.31 -1.46 115.31 118.96 3ico h LEU 14 Ca 0.16 0.16 0.03 0.00 -0.12 0.00 0.00 57.88 58.12 3ico h LEU 14 Cb 0.56 0.56 -0.05 0.00 -0.73 0.00 0.00 40.66 41.00 3ico h LEU 14 CO 0.03 -0.55 0.55 0.58 -0.62 0.00 0.00 178.44 178.43 3ico h VAL 15 N -0.74 1.13 -0.75 1.05 2.07 -1.09 -1.33 116.25 116.60 3ico h VAL 15 Ca 0.00 -0.37 -0.01 0.00 0.82 0.00 0.00 66.70 67.14 3ico h VAL 15 Cb 0.75 -0.03 -0.04 0.00 -1.52 0.00 0.00 31.29 30.46 3ico h VAL 15 CO -0.28 0.19 0.42 0.00 0.02 0.00 0.00 177.57 177.93 3ico h ALA 16 N 1.36 0.95 -0.53 1.67 0.00 -1.20 0.15 119.26 121.66 3ico h ALA 16 Ca 0.34 -0.11 -0.07 0.00 0.00 0.00 0.00 54.91 55.07 3ico h ALA 16 Cb 0.01 -0.30 -0.02 0.00 0.00 0.00 0.00 17.79 17.48 3ico h ALA 16 CO -0.12 0.46 0.06 0.00 0.00 0.00 0.00 179.25 179.65 3ico h ALA 17 N 1.22 0.70 -0.24 0.00 0.00 -0.62 -1.82 119.26 118.50 3ico h ALA 17 Ca 0.26 -0.26 -0.08 0.00 0.00 0.00 0.00 54.91 54.84 3ico h ALA 17 Cb 0.02 -0.20 -0.01 0.00 0.00 0.00 0.00 17.79 17.60 3ico h ALA 17 CO -0.04 0.46 -0.20 0.00 0.00 0.00 0.00 179.25 179.47 3ico h ALA 18 N 0.97 1.22 0.61 0.00 0.00 -0.94 -1.93 119.26 119.19 3ico h ALA 18 Ca 0.16 -0.30 -0.03 0.00 0.00 0.00 0.00 54.91 54.74 3ico h ALA 18 Cb 0.44 -0.12 0.01 0.00 0.00 0.00 0.00 17.79 18.12 3ico h ALA 18 CO 0.01 0.51 -0.29 0.78 0.00 0.00 0.00 179.25 180.26 3ico h GLY 19 N 0.97 -0.85 0.64 0.00 0.00 -0.33 0.33 103.07 103.83 3ico h GLY 19 Ca 0.06 0.31 0.06 0.00 0.00 0.00 0.00 47.33 47.77 3ico h GLY 19 CO 0.04 -0.31 0.29 1.70 0.00 0.00 0.00 176.54 178.26 3ico h LYS 20 N -0.83 0.52 -0.58 4.80 1.63 -1.29 -0.74 116.57 120.08 3ico h LYS 20 Ca -0.08 -0.03 -0.09 0.00 -0.85 0.00 0.00 60.65 59.60 3ico h LYS 20 Cb 0.63 -0.12 -0.02 0.00 -0.60 0.00 0.00 32.23 32.12 3ico h LYS 20 CO 0.14 0.35 0.02 -0.09 -3.45 0.00 0.00 179.45 176.42 3ico h ARG 21 N 0.54 0.99 -0.53 1.90 2.43 -1.26 -2.22 114.38 116.23 3ico h ARG 21 Ca 0.27 -0.29 -0.08 0.00 -0.81 0.00 0.00 59.98 59.07 3ico h ARG 21 Cb 0.21 -0.10 -0.02 0.00 -0.42 0.00 0.00 29.97 29.63 3ico h ARG 21 CO -0.20 0.96 0.03 1.25 -1.51 0.00 0.00 179.97 180.51 3ico h LEU 22 N 0.92 0.89 -0.82 3.80 5.85 0.12 0.90 115.31 126.98 3ico h LEU 22 Ca 0.17 -0.29 0.13 0.00 0.84 0.00 0.00 57.88 58.73 3ico h LEU 22 Cb 0.50 -0.24 -0.09 0.00 0.37 0.00 0.00 40.66 41.21 3ico h LEU 22 CO 0.02 0.96 0.43 0.58 -0.34 0.00 0.00 178.44 180.09 3ico h VAL 23 N 0.79 0.78 -0.39 1.05 2.07 -0.97 0.20 116.25 119.78 3ico h VAL 23 Ca 0.15 -0.22 -0.14 0.00 0.82 0.00 0.00 66.70 67.32 3ico h VAL 23 Cb 0.49 0.08 -0.01 0.00 -1.52 0.00 0.00 31.29 30.33 3ico h VAL 23 CO 0.02 0.12 -0.29 1.23 0.02 0.00 0.00 177.57 178.67 3ico h GLY 24 N 0.65 0.96 1.04 2.17 0.00 -1.17 -2.58 103.07 104.14 3ico h GLY 24 Ca 0.43 -0.93 -0.12 0.00 0.00 0.00 0.00 47.33 46.72 3ico h GLY 24 CO -0.33 0.84 -0.20 0.00 0.00 0.00 0.00 176.54 176.86 3ico h ALA 25 N 0.79 0.58 -0.20 3.60 0.00 0.13 -1.10 119.26 123.06 3ico h ALA 25 Ca 0.07 -0.37 0.04 0.00 0.00 0.00 0.00 54.91 54.65 3ico h ALA 25 Cb 0.87 -0.14 -0.04 0.00 0.00 0.00 0.00 17.79 18.47 3ico h ALA 25 CO 0.08 0.54 -0.05 0.82 0.00 0.00 0.00 179.25 180.64 3ico h ILE 26 N 0.68 0.79 -0.58 0.00 2.04 -0.70 -1.19 117.51 118.56 3ico h ILE 26 Ca 0.09 0.00 0.03 0.00 1.00 0.00 0.00 64.86 65.98 3ico h ILE 26 Cb 0.76 0.79 -0.04 0.00 -0.74 0.00 0.00 36.82 37.59 3ico h ILE 26 CO 0.06 0.00 0.35 1.23 0.00 0.00 0.00 178.15 179.79 3ico h GLY 27 N -0.00 0.83 1.00 5.37 0.00 -1.29 -1.50 103.07 107.49 3ico h GLY 27 Ca 0.10 -0.26 -0.03 0.00 0.00 0.00 0.00 47.33 47.14 3ico h GLY 27 CO -0.21 0.21 0.28 0.00 0.00 0.00 0.00 176.54 176.82 3ico h ALA 28 N 1.26 0.81 -0.42 3.60 0.00 -1.03 -0.58 119.26 122.91 3ico h ALA 28 Ca 0.24 -0.15 -0.06 0.00 0.00 0.00 0.00 54.91 54.94 3ico h ALA 28 Cb 0.04 -0.25 -0.02 0.00 0.00 0.00 0.00 17.79 17.57 3ico h ALA 28 CO -0.11 0.40 0.03 0.00 0.00 0.00 0.00 179.25 179.57 3ico h ALA 29 N 1.12 0.56 0.22 0.00 0.00 -0.79 -1.93 119.26 118.44 3ico h ALA 29 Ca 0.21 -0.24 -0.01 0.00 0.00 0.00 0.00 54.91 54.87 3ico h ALA 29 Cb 0.15 -0.16 0.00 0.00 0.00 0.00 0.00 17.79 17.79 3ico h ALA 29 CO -0.02 0.31 -0.10 0.28 0.00 0.00 0.00 179.25 179.72 3ico h VAL 30 N 0.56 0.80 -0.77 0.00 2.07 -1.12 0.17 116.25 117.97 3ico h VAL 30 Ca 0.12 -0.07 0.13 0.00 0.82 0.00 0.00 66.70 67.70 3ico h VAL 30 Cb 0.43 0.84 -0.09 0.00 -1.52 0.00 0.00 31.29 30.96 3ico h VAL 30 CO 0.02 0.02 0.36 0.00 0.02 0.00 0.00 177.57 177.98 3ico h ALA 31 N 0.46 1.10 0.00 1.67 0.00 -1.07 0.92 119.26 122.33 3ico h ALA 31 Ca -0.03 0.09 -0.16 0.00 0.00 0.00 0.00 54.91 54.81 3ico h ALA 31 Cb 0.25 0.01 -0.03 0.00 0.00 0.00 0.00 17.79 18.03 3ico h ALA 31 CO 0.05 -0.12 -1.12 0.00 0.00 0.00 0.00 179.25 178.06 3ico h ALA 32 N 1.51 0.64 0.00 0.00 0.00 -1.15 -3.41 119.26 116.85 3ico h ALA 32 Ca 0.41 -0.76 0.00 0.00 0.00 0.00 0.00 54.91 54.56 3ico h ALA 32 Cb 0.55 0.15 0.00 0.00 0.00 0.00 0.00 17.79 18.49 3ico h ALA 32 CO -0.35 0.89 0.00 0.54 0.00 0.00 0.00 179.25 180.33 3ico n ARG 33 N -3.04 -0.12 -1.12 0.00 1.74 0.59 -5.03 116.66 109.69 3ico n ARG 33 Ca -0.06 -0.08 -0.04 0.00 -0.77 0.00 0.00 57.85 56.90 3ico n ARG 33 Cb 0.83 -0.56 -0.02 0.00 -1.02 0.00 0.00 32.46 31.68 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 0.01 0.62 3.59 -0.13 0.00 0.32 -4.94 105.19 104.65 3ico n GLY 34 Ca 0.00 -0.21 -0.11 0.00 0.00 0.00 0.00 46.02 45.71 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 -1.76 0.61 -0.15 1.61 -2.07 -1.26 -4.88 119.66 111.75 3ico s GLN 35 Ca 0.00 0.31 0.02 0.00 -1.82 0.00 0.00 55.36 53.87 3ico s GLN 35 Cb 0.00 0.29 0.01 0.00 -1.09 0.00 0.00 33.01 32.23 3ico s GLN 35 CO 0.00 -0.16 -0.21 0.00 -1.32 0.00 0.00 175.29 173.60 3ico s ALA 36 N -0.68 2.27 -0.35 2.60 0.00 -0.37 -3.56 121.76 121.67 3ico s ALA 36 Ca -0.01 -1.13 -0.08 0.00 0.00 0.00 0.00 51.96 50.73 3ico s ALA 36 Cb -0.02 -1.06 0.03 0.00 0.00 0.00 0.00 23.12 22.07 3ico s ALA 36 CO -0.00 -0.16 0.14 -0.51 0.00 0.00 0.00 175.76 175.23 3ico s LEU 37 N 1.01 4.44 -0.10 0.00 1.43 -1.26 -0.79 118.68 123.41 3ico s LEU 37 Ca -0.02 -1.06 0.03 0.00 -1.03 0.00 0.00 54.13 52.05 3ico s LEU 37 Cb -0.15 -1.93 -0.01 0.00 0.03 0.00 0.00 46.19 44.14 3ico s LEU 37 CO -0.06 -0.34 -0.21 -0.63 0.23 0.00 0.00 176.35 175.33 3ico s ILE 38 N 1.47 2.32 -0.30 -0.59 -1.09 -0.60 -1.14 121.20 121.27 3ico s ILE 38 Ca -0.00 -0.93 -0.12 0.00 -2.23 0.00 0.00 60.65 57.37 3ico s ILE 38 Cb -0.19 -1.91 -0.04 0.00 -1.58 0.00 0.00 42.46 38.74 3ico s ILE 38 CO 0.04 0.55 0.20 -0.69 -1.23 0.00 0.00 174.94 173.82 3ico s VAL 39 N 0.24 5.29 0.41 2.92 1.01 -0.02 -1.01 120.40 129.24 3ico s VAL 39 Ca -0.14 0.05 -0.01 0.00 0.00 0.00 0.00 61.98 61.87 3ico s VAL 39 Cb -0.17 -3.58 -0.03 0.00 0.00 0.00 0.00 36.38 32.61 3ico s VAL 39 CO 0.07 0.17 0.65 -0.76 0.00 0.00 0.00 175.10 175.24 3ico s LEU 40 N 1.75 3.81 0.28 3.92 1.43 0.22 -1.18 118.68 128.90 3ico s LEU 40 Ca 0.07 0.56 0.03 0.00 -1.03 0.00 0.00 54.13 53.76 3ico s LEU 40 Cb -0.16 -3.45 -0.06 0.00 0.03 0.00 0.00 46.19 42.55 3ico s LEU 40 CO 0.11 -0.48 0.04 0.28 0.23 0.00 0.00 176.35 176.53 3ico s THR 41 N -2.51 1.07 0.26 5.49 -1.32 -1.26 -1.09 115.64 116.28 3ico s THR 41 Ca 0.44 -2.02 0.04 0.00 -1.21 0.00 0.00 61.69 58.94 3ico s THR 41 Cb -0.10 -2.62 0.04 0.00 -1.51 0.00 0.00 72.50 68.31 3ico s THR 41 CO 0.39 -0.11 0.32 0.61 -2.21 0.00 0.00 174.62 173.62 3ico n GLY 42 N -0.57 2.19 0.00 6.08 0.00 -1.26 -4.51 105.19 107.12 3ico n GLY 42 Ca -0.03 -2.19 0.00 0.00 0.00 0.00 0.00 46.02 43.80 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 1.87 0.18 0.50 -0.02 0.00 -1.26 -4.38 105.19 102.08 3ico n GLY 43 Ca 0.05 -1.71 -0.19 0.00 0.00 0.00 0.00 46.02 44.17 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 -1.27 1.23 -0.02 0.00 -1.97 -0.87 103.07 100.18 3ico h GLY 44 Ca 0.00 0.56 -0.02 0.00 0.00 0.00 0.00 47.33 47.87 3ico h GLY 44 CO 0.00 -0.40 0.35 3.43 0.00 0.00 0.00 176.54 179.92 3ico h ASN 45 N -1.07 0.90 -0.43 0.19 2.35 -1.88 -0.23 115.58 115.41 3ico h ASN 45 Ca -0.08 -0.09 0.00 0.00 -0.55 0.00 0.00 56.30 55.58 3ico h ASN 45 Cb 0.90 -0.23 -0.02 0.00 0.05 0.00 0.00 38.32 39.02 3ico h ASN 45 CO -0.00 0.75 0.27 1.23 -1.65 0.00 0.00 177.43 178.03 3ico h GLY 46 N 1.05 0.61 0.98 2.83 0.00 -1.64 0.09 103.07 107.00 3ico h GLY 46 Ca 0.25 -0.24 -0.19 0.00 0.00 0.00 0.00 47.33 47.14 3ico h GLY 46 CO -0.03 0.24 -0.72 -2.22 0.00 0.00 0.00 176.54 173.80 3ico h ILE 47 N 0.57 1.35 -0.71 2.60 1.08 -0.95 -2.79 117.51 118.66 3ico h ILE 47 Ca 0.15 -2.04 0.09 0.00 -0.39 0.00 0.00 64.86 62.67 3ico h ILE 47 Cb -0.03 2.34 -0.05 0.00 -3.07 0.00 0.00 36.82 36.02 3ico h ILE 47 CO -0.03 0.62 0.47 0.00 -0.69 0.00 0.00 178.15 178.51 3ico h ALA 48 N 0.42 1.82 -0.47 1.87 0.00 -0.96 -0.45 119.26 121.48 3ico h ALA 48 Ca -0.08 -0.01 -0.07 0.00 0.00 0.00 0.00 54.91 54.75 3ico h ALA 48 Cb 1.39 -0.15 -0.02 0.00 0.00 0.00 0.00 17.79 19.01 3ico h ALA 48 CO 0.15 0.04 0.02 1.25 0.00 0.00 0.00 179.25 180.71 3ico h LEU 49 N 0.64 0.72 -0.70 0.00 5.85 -0.89 -1.61 115.31 119.33 3ico h LEU 49 Ca 0.32 -0.16 -0.01 0.00 0.84 0.00 0.00 57.88 58.87 3ico h LEU 49 Cb 0.41 -0.19 -0.03 0.00 0.37 0.00 0.00 40.66 41.21 3ico h LEU 49 CO -0.11 0.78 0.41 -0.07 -0.34 0.00 0.00 178.44 179.11 3ico h LEU 50 N 0.72 0.84 -1.48 2.25 3.38 -0.85 -1.59 115.31 118.58 3ico h LEU 50 Ca 0.14 -0.07 -0.03 0.00 0.09 0.00 0.00 57.88 58.02 3ico h LEU 50 Cb 0.41 -0.21 -0.01 0.00 0.09 0.00 0.00 40.66 40.93 3ico h LEU 50 CO 0.01 0.66 0.01 0.03 0.09 0.00 0.00 178.44 179.25 3ico h ARG 51 N 0.95 0.35 -0.36 1.13 3.08 -0.96 -0.87 114.38 117.71 3ico h ARG 51 Ca 0.25 -0.06 -0.05 0.00 0.07 0.00 0.00 59.98 60.20 3ico h ARG 51 Cb -0.02 -0.06 -0.01 0.00 0.08 0.00 0.00 29.97 29.96 3ico h ARG 51 CO -0.05 0.37 0.05 -0.92 -1.07 0.00 0.00 179.97 178.35 3ico h TYR 52 N 0.35 0.64 -0.55 3.04 3.20 -0.74 -1.57 116.97 121.34 3ico h TYR 52 Ca 0.08 -0.09 -0.01 0.00 3.14 0.00 0.00 58.73 61.84 3ico h TYR 52 Cb 0.21 -0.17 -0.03 0.00 1.54 0.00 0.00 36.73 38.28 3ico h TYR 52 CO 0.00 0.67 0.28 -0.07 -1.64 0.00 0.00 178.16 177.41 3ico h LEU 53 N 0.43 0.67 0.20 2.82 3.38 -0.66 -1.59 115.31 120.56 3ico h LEU 53 Ca 0.11 -0.05 -0.01 0.00 0.09 0.00 0.00 57.88 58.01 3ico h LEU 53 Cb 0.38 -0.17 0.00 0.00 0.09 0.00 0.00 40.66 40.96 3ico h LEU 53 CO 0.01 0.55 -0.10 -1.28 0.09 0.00 0.00 178.44 177.72 3ico h SER 54 N 0.76 -0.23 -0.15 -0.43 0.87 -0.88 -0.62 113.55 112.87 3ico h SER 54 Ca 0.19 -0.04 0.01 0.00 -1.23 0.00 0.00 61.79 60.73 3ico h SER 54 Cb 0.04 0.06 -0.01 0.00 -0.44 0.00 0.00 62.40 62.06 3ico h SER 54 CO -0.03 -0.11 0.10 0.00 -0.53 0.00 0.00 176.83 176.26 3ico h ALA 55 N 0.45 1.97 -0.72 6.23 0.00 -0.84 -2.20 119.26 124.15 3ico h ALA 55 Ca -0.03 -0.01 -0.27 0.00 0.00 0.00 0.00 54.91 54.60 3ico h ALA 55 Cb 0.26 -0.04 -0.16 0.00 0.00 0.00 0.00 17.79 17.85 3ico h ALA 55 CO 0.05 0.01 0.30 1.04 0.00 0.00 0.00 179.25 180.65 3ico n GLN 56 N -4.51 3.05 -0.28 0.00 3.00 -0.64 -4.73 117.38 113.27 3ico n GLN 56 Ca -0.00 -3.07 0.01 0.00 -0.01 0.00 0.00 57.00 53.92 3ico n GLN 56 Cb 0.12 -2.13 0.14 0.00 0.00 0.00 0.00 30.24 28.37 3ico n GLN 56 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.06 177.06 3ico h ALA 57 N 1.97 1.10 0.00 -1.58 0.00 -0.47 -1.25 119.26 119.04 3ico h ALA 57 Ca 0.33 0.01 0.00 0.00 0.00 0.00 0.00 54.91 55.25 3ico h ALA 57 Cb 2.32 -0.18 0.00 0.00 0.00 0.00 0.00 17.79 19.93 3ico h ALA 57 CO 0.75 0.17 0.15 -0.56 0.00 0.00 0.00 179.25 179.76 3ico h GLN 58 N 0.85 0.00 -0.00 0.00 -0.00 -1.86 -0.61 115.11 113.49 3ico h GLN 58 Ca 0.36 0.00 0.00 0.00 -0.00 0.00 0.00 58.65 59.01 3ico h GLN 58 Cb 0.23 0.00 0.00 0.00 -0.00 0.00 0.00 27.48 27.71 3ico h GLN 58 CO -0.20 0.00 -0.20 1.04 -0.00 0.00 0.00 178.83 179.48 3ico n GLN 59 N -2.94 0.21 -4.86 0.06 6.02 -0.47 -4.87 117.38 110.52 3ico n GLN 59 Ca -0.02 -0.07 -0.33 0.00 -0.01 0.00 0.00 57.00 56.57 3ico n GLN 59 Cb 0.21 -1.50 -0.13 0.00 1.02 0.00 0.00 30.24 29.84 3ico n GLN 59 CO 0.00 0.00 0.00 0.42 -1.01 0.00 0.00 177.06 176.47 3ico s ILE 60 N -2.84 3.06 -1.22 5.09 1.01 -0.24 -4.95 121.20 121.10 3ico s ILE 60 Ca 0.17 -0.71 -0.17 0.00 0.00 0.00 0.00 60.65 59.95 3ico s ILE 60 Cb 0.19 -2.22 0.11 0.00 0.01 0.00 0.00 42.46 40.55 3ico s ILE 60 CO 0.57 0.57 1.56 -0.70 0.00 0.00 0.00 174.94 176.94 3ico s GLU 61 N -0.41 3.98 0.55 2.79 2.12 -1.26 -4.84 118.70 121.62 3ico s GLU 61 Ca 0.05 -2.17 0.24 0.00 0.36 0.00 0.00 54.97 53.44 3ico s GLU 61 Cb -0.12 -5.29 1.53 0.00 0.26 0.00 0.00 34.13 30.51 3ico s GLU 61 CO 0.02 -2.02 2.17 -1.49 -0.54 0.00 0.00 175.26 173.40 3ico h TRP 62 N 7.62 0.00 0.00 5.30 4.06 -1.90 -1.20 115.95 129.82 3ico h TRP 62 Ca 0.36 0.00 -0.00 0.00 2.06 0.00 0.00 58.89 61.31 3ico h TRP 62 Cb 0.89 0.00 -0.00 0.00 -1.00 0.00 0.00 29.16 29.05 3ico h TRP 62 CO 1.27 0.04 -0.01 0.66 -3.56 0.00 0.00 178.44 176.84 3ico h SER 63 N 0.00 0.00 -0.34 -3.49 4.64 -1.89 -2.48 113.55 109.99 3ico h SER 63 Ca -0.00 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.32 3ico h SER 63 Cb 0.09 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.18 3ico h SER 63 CO 0.01 0.01 0.00 0.29 -0.87 0.00 0.00 176.83 176.26 3ico n LYS 64 N -3.69 2.44 -3.53 4.77 4.76 -0.46 -4.78 118.16 117.67 3ico n LYS 64 Ca -0.03 -1.99 -0.37 0.00 -2.87 0.00 0.00 58.31 53.05 3ico n LYS 64 Cb 0.09 -1.31 -0.06 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 -1.02 5.23 -0.07 -0.18 1.01 -0.94 -1.24 120.40 123.20 3ico s VAL 65 Ca 0.25 0.65 0.04 0.00 0.00 0.00 0.00 61.98 62.92 3ico s VAL 65 Cb 0.14 -3.65 0.00 0.00 0.00 0.00 0.00 36.38 32.86 3ico s VAL 65 CO 0.19 0.46 -0.20 -1.00 0.00 0.00 0.00 175.10 174.55 3ico s HIS 66 N -0.12 2.07 -0.07 5.22 3.76 0.03 -4.82 115.29 121.36 3ico s HIS 66 Ca 0.20 -0.73 0.04 0.00 -0.15 0.00 0.00 55.06 54.41 3ico s HIS 66 Cb -0.14 -1.40 -0.02 0.00 1.11 0.00 0.00 32.58 32.13 3ico s HIS 66 CO 0.07 -0.29 -0.18 -0.51 -0.85 0.00 0.00 174.74 172.99 3ico s LEU 67 N 0.24 2.47 0.41 0.89 1.43 -0.06 -1.56 118.68 122.50 3ico s LEU 67 Ca -0.11 -0.36 0.04 0.00 -1.03 0.00 0.00 54.13 52.67 3ico s LEU 67 Cb -0.15 -1.50 -0.05 0.00 0.03 0.00 0.00 46.19 44.52 3ico s LEU 67 CO 0.05 0.26 0.04 -0.36 0.23 0.00 0.00 176.35 176.56 3ico s PHE 68 N -0.21 2.14 -0.03 0.29 0.40 -0.18 -0.87 117.98 119.53 3ico s PHE 68 Ca -0.01 -0.88 0.07 0.00 -0.60 0.00 0.00 56.93 55.51 3ico s PHE 68 Cb -0.13 -1.53 -0.02 0.00 0.51 0.00 0.00 43.02 41.85 3ico s PHE 68 CO 0.03 0.19 -0.23 -1.58 0.70 0.00 0.00 175.22 174.34 3ico s TRP 69 N -2.97 2.06 0.20 0.36 0.51 -1.26 -0.61 118.94 117.23 3ico s TRP 69 Ca 0.28 -0.44 0.04 0.00 -2.12 0.00 0.00 56.10 53.86 3ico s TRP 69 Cb 0.07 -1.33 0.10 0.00 -0.81 0.00 0.00 33.47 31.50 3ico s TRP 69 CO 0.14 -0.07 1.45 0.78 -0.51 0.00 0.00 176.95 178.74 3ico h GLY 70 N 5.70 0.19 -1.58 0.98 0.00 -1.42 -3.44 103.07 103.51 3ico h GLY 70 Ca -0.39 -0.30 -0.04 0.00 0.00 0.00 0.00 47.33 46.60 3ico h GLY 70 CO 0.47 0.26 0.14 0.51 0.00 0.00 0.00 176.54 177.93 3ico s ASP 71 N -6.90 0.07 -0.24 0.19 -4.77 -1.26 -0.22 116.67 103.54 3ico s ASP 71 Ca -0.03 -1.04 -0.26 0.00 -3.30 0.00 0.00 52.55 47.92 3ico s ASP 71 Cb 0.11 0.76 0.08 0.00 -1.09 0.00 0.00 42.92 42.78 3ico s ASP 71 CO 0.81 -1.47 0.78 -0.70 0.70 0.00 0.00 175.17 175.29 3ico s GLU 72 N -3.05 0.79 -0.08 2.11 2.56 -0.34 -4.85 118.70 115.84 3ico s GLU 72 Ca 0.18 0.80 -0.26 0.00 0.00 0.00 0.00 54.97 55.69 3ico s GLU 72 Cb -0.04 0.39 -0.03 0.00 2.00 0.00 0.00 34.13 36.45 3ico s GLU 72 CO 0.11 -0.12 0.82 1.03 -0.56 0.00 0.00 175.26 176.54 3ico s ARG 73 N 0.11 4.43 -1.26 4.30 3.00 -1.26 -1.11 118.95 127.16 3ico s ARG 73 Ca -0.01 1.08 -0.15 0.00 0.00 0.00 0.00 55.73 56.65 3ico s ARG 73 Cb -0.04 -3.49 0.13 0.00 0.00 0.00 0.00 34.95 31.55 3ico s ARG 73 CO 0.01 -0.09 1.60 0.98 0.00 0.00 0.00 175.30 177.79 3ico n TYR 74 N 4.28 4.68 -4.43 -0.53 9.36 0.64 -4.80 117.16 126.36 3ico n TYR 74 Ca 0.03 -3.14 -0.22 0.00 3.32 0.00 0.00 57.90 57.89 3ico n TYR 74 Cb 0.50 -2.33 -0.09 0.00 -0.63 0.00 0.00 39.34 36.79 3ico n TYR 74 CO 0.00 0.00 0.00 0.14 0.22 0.00 0.00 176.86 177.22 3ico s VAL 75 N 2.41 0.57 0.63 2.97 -7.23 -1.26 -4.51 120.40 113.98 3ico s VAL 75 Ca 0.46 -2.00 -0.18 0.00 -1.81 0.00 0.00 61.98 58.46 3ico s VAL 75 Cb 0.01 -2.48 -0.02 0.00 0.56 0.00 0.00 36.38 34.45 3ico s VAL 75 CO 0.02 0.00 1.22 -2.84 -0.31 0.00 0.00 175.10 173.20 3ico s PRO 76 N -3.77 2.74 0.27 4.82 0.02 -1.26 -0.92 135.00 136.90 3ico s PRO 76 Ca 0.31 1.85 0.01 0.00 0.02 0.00 0.00 61.00 63.18 3ico s PRO 76 Cb 0.04 -1.90 0.63 0.00 0.02 0.00 0.00 34.50 33.30 3ico s PRO 76 CO 0.16 -1.39 1.71 1.49 -0.33 0.00 0.00 177.00 178.63 3ico h GLU 77 N 0.58 0.40 -0.11 5.54 4.57 -1.92 -0.74 114.58 122.91 3ico h GLU 77 Ca -0.50 -0.02 0.00 0.00 -1.18 0.00 0.00 59.36 57.66 3ico h GLU 77 Cb 1.30 -0.09 0.00 0.00 -0.16 0.00 0.00 28.75 29.80 3ico h GLU 77 CO 0.54 0.27 0.00 -3.47 -1.18 0.00 0.00 179.01 175.16 3ico n ASP 78 N -5.04 0.74 -4.77 1.04 2.03 -1.26 -4.79 116.55 104.51 3ico n ASP 78 Ca 0.19 -1.81 -0.39 0.00 0.52 0.00 0.00 54.79 53.30 3ico n ASP 78 Cb 0.57 -0.08 -0.06 0.00 -0.72 0.00 0.00 41.12 40.83 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 -1.24 7.48 0.62 1.67 2.15 -0.29 -4.94 116.67 122.12 3ico s ASP 79 Ca 0.18 1.77 0.36 0.00 0.43 0.00 0.00 52.55 55.29 3ico s ASP 79 Cb 0.09 -2.55 2.06 0.00 -0.30 0.00 0.00 42.92 42.23 3ico s ASP 79 CO 0.14 0.17 2.29 0.44 -0.17 0.00 0.00 175.17 178.03 3ico h ASP 80 N 4.15 0.00 0.26 -0.34 3.32 -1.90 -1.28 116.42 120.62 3ico h ASP 80 Ca -0.46 0.00 0.00 0.00 0.02 0.00 0.00 57.03 56.59 3ico h ASP 80 Cb 1.20 0.00 0.00 0.00 0.22 0.00 0.00 39.33 40.75 3ico h ASP 80 CO 0.67 0.00 0.00 -0.62 -1.72 0.00 0.00 179.24 177.57 3ico n GLU 81 N -3.51 0.47 -2.52 3.56 1.02 -1.26 -4.70 120.64 113.70 3ico n GLU 81 Ca -0.03 0.05 -0.42 0.00 -0.02 0.00 0.00 57.16 56.74 3ico n GLU 81 Cb 0.10 -1.50 -0.03 0.00 -0.02 0.00 0.00 31.44 30.00 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 -2.35 4.35 0.27 3.49 1.81 -0.48 -4.53 118.95 121.50 3ico s ARG 82 Ca 0.26 1.59 -0.04 0.00 -1.72 0.00 0.00 55.73 55.83 3ico s ARG 82 Cb 0.15 -3.58 0.37 0.00 -0.45 0.00 0.00 34.95 31.44 3ico s ARG 82 CO 0.31 -0.46 1.93 -0.91 -0.68 0.00 0.00 175.30 175.49 3ico h ASN 83 N 7.47 1.05 -0.06 0.23 2.35 -1.89 -1.53 115.58 123.20 3ico h ASN 83 Ca -0.32 -0.02 0.00 0.00 -0.55 0.00 0.00 56.30 55.42 3ico h ASN 83 Cb 1.14 -0.25 -0.00 0.00 0.05 0.00 0.00 38.32 39.26 3ico h ASN 83 CO 0.89 0.74 0.03 0.25 -1.65 0.00 0.00 177.43 177.70 3ico h LEU 84 N 1.23 0.05 -0.04 1.61 5.85 -1.93 0.10 115.31 122.19 3ico h LEU 84 Ca 0.36 0.00 0.01 0.00 0.84 0.00 0.00 57.88 59.09 3ico h LEU 84 Cb -0.06 -0.01 -0.01 0.00 0.37 0.00 0.00 40.66 40.95 3ico h LEU 84 CO -0.10 0.04 -0.01 0.50 -0.34 0.00 0.00 178.44 178.53 3ico h LYS 85 N 0.07 -0.00 -0.99 1.25 3.64 -1.80 1.00 116.57 119.74 3ico h LYS 85 Ca 0.02 0.00 0.09 0.00 -1.27 0.00 0.00 60.65 59.49 3ico h LYS 85 Cb -0.00 0.00 -0.07 0.00 -0.41 0.00 0.00 32.23 31.75 3ico h LYS 85 CO -0.01 -0.00 0.63 1.96 -2.27 0.00 0.00 179.45 179.76 3ico h GLN 86 N -0.00 1.05 -0.58 1.90 1.08 -1.17 -1.62 115.11 115.77 3ico h GLN 86 Ca 0.02 -0.06 -0.08 0.00 -1.45 0.00 0.00 58.65 57.08 3ico h GLN 86 Cb 0.03 -0.24 -0.02 0.00 -0.05 0.00 0.00 27.48 27.20 3ico h GLN 86 CO -0.04 0.70 0.05 0.00 -0.95 0.00 0.00 178.83 178.59 3ico h ALA 87 N 1.50 0.78 -0.11 3.87 0.00 -0.39 -2.23 119.26 122.68 3ico h ALA 87 Ca 0.45 -0.28 0.01 0.00 0.00 0.00 0.00 54.91 55.09 3ico h ALA 87 Cb 0.30 -0.22 -0.01 0.00 0.00 0.00 0.00 17.79 17.86 3ico h ALA 87 CO -0.20 0.56 0.05 0.00 0.00 0.00 0.00 179.25 179.66 3ico h ARG 88 N 0.88 0.10 -0.57 0.00 3.08 0.07 0.11 114.38 118.06 3ico h ARG 88 Ca 0.17 -0.01 -0.09 0.00 0.07 0.00 0.00 59.98 60.13 3ico h ARG 88 Cb 0.48 -0.02 -0.02 0.00 0.08 0.00 0.00 29.97 30.48 3ico h ARG 88 CO 0.02 0.07 0.02 0.00 -1.07 0.00 0.00 179.97 179.00 3ico h ARG 89 N 0.11 0.97 -0.07 0.04 3.08 -1.34 -0.95 114.38 116.21 3ico h ARG 89 Ca 0.04 -0.28 -0.21 0.00 0.07 0.00 0.00 59.98 59.60 3ico h ARG 89 Cb 0.01 -0.10 0.00 0.00 0.08 0.00 0.00 29.97 29.96 3ico h ARG 89 CO -0.04 0.95 -0.81 0.00 -1.07 0.00 0.00 179.97 179.00 3ico h ALA 90 N 1.11 0.45 0.00 0.04 0.00 -1.29 -3.46 119.26 116.10 3ico h ALA 90 Ca 0.17 -0.63 0.00 0.00 0.00 0.00 0.00 54.91 54.44 3ico h ALA 90 Cb 0.50 -0.03 0.00 0.00 0.00 0.00 0.00 17.79 18.26 3ico h ALA 90 CO 0.02 0.75 0.00 -0.11 0.00 0.00 0.00 179.25 179.91 3ico n LEU 91 N -3.84 -0.94 0.03 0.00 7.94 0.29 -4.19 117.00 116.29 3ico n LEU 91 Ca -0.06 0.42 0.04 0.00 -1.11 0.00 0.00 56.01 55.30 3ico n LEU 91 Cb 0.76 1.03 0.44 0.00 0.53 0.00 0.00 43.42 46.18 3ico n LEU 91 CO 0.50 -0.48 1.13 -0.07 -1.11 0.00 0.00 177.39 177.37 3ico h LEU 92 N 0.00 0.41 -0.32 -1.96 3.38 -1.14 0.13 115.31 115.80 3ico h LEU 92 Ca 0.00 -0.02 0.00 0.00 0.09 0.00 0.00 57.88 57.95 3ico h LEU 92 Cb 0.00 -0.10 0.00 0.00 0.09 0.00 0.00 40.66 40.65 3ico h LEU 92 CO 0.00 0.31 0.00 0.59 0.09 0.00 0.00 178.44 179.43 3ico n ASN 93 N -4.47 0.33 -0.08 -0.43 3.02 -0.38 -3.43 115.26 109.82 3ico n ASN 93 Ca 0.02 0.58 0.06 0.00 -0.03 0.00 0.00 54.58 55.21 3ico n ASN 93 Cb 0.08 -0.65 -0.05 0.00 -0.61 0.00 0.00 39.78 38.55 3ico n ASN 93 CO 0.00 0.00 0.00 1.41 -2.62 0.00 0.00 177.26 176.05 3ico n HIS 94 N -1.86 0.00 -4.44 3.10 8.25 0.44 -5.02 115.22 115.69 3ico n HIS 94 Ca 0.03 0.00 -0.21 0.00 -0.26 0.00 0.00 57.72 57.28 3ico n HIS 94 Cb 0.21 0.00 -0.10 0.00 1.12 0.00 0.00 29.99 31.21 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 -1.97 1.52 -0.88 1.59 -7.23 -1.09 -5.09 120.40 107.25 3ico s VAL 95 Ca 0.06 -2.08 0.01 0.00 -1.81 0.00 0.00 61.98 58.16 3ico s VAL 95 Cb 0.09 -2.55 0.32 0.00 0.56 0.00 0.00 36.38 34.80 3ico s VAL 95 CO 0.44 -0.22 1.43 -0.67 -0.31 0.00 0.00 175.10 175.77 3ico n ASP 96 N -0.61 6.09 -4.70 4.85 2.03 -1.26 -4.91 116.55 118.04 3ico n ASP 96 Ca -0.05 -3.62 -0.40 0.00 0.52 0.00 0.00 54.79 51.25 3ico n ASP 96 Cb 0.64 -0.98 -0.05 0.00 -0.72 0.00 0.00 41.12 40.02 3ico n ASP 96 CO 0.00 0.00 0.00 -0.63 -1.92 0.00 0.00 177.20 174.65 3ico s ILE 97 N -3.91 5.01 0.24 5.18 1.01 -1.26 -4.20 121.20 123.27 3ico s ILE 97 Ca 0.40 1.45 -0.31 0.00 0.00 0.00 0.00 60.65 62.19 3ico s ILE 97 Cb 0.18 -4.05 -0.13 0.00 0.01 0.00 0.00 42.46 38.48 3ico s ILE 97 CO -0.08 0.18 1.55 -2.65 0.00 0.00 0.00 174.94 173.95 3ico n PRO 98 N 4.29 2.42 0.05 2.79 -0.02 -1.26 -4.84 135.00 138.42 3ico n PRO 98 Ca -0.00 0.86 0.13 0.00 -2.02 0.00 0.00 63.50 62.47 3ico n PRO 98 Cb 0.51 -2.62 0.59 0.00 -0.02 0.00 0.00 33.50 31.96 3ico n PRO 98 CO 0.00 0.00 0.00 1.03 1.98 0.00 0.00 175.50 178.51 3ico h SER 99 N 5.09 0.16 0.00 2.55 0.87 -1.95 0.25 113.55 120.53 3ico h SER 99 Ca -0.45 0.00 0.00 0.00 -1.23 0.00 0.00 61.79 60.11 3ico h SER 99 Cb 1.24 -0.03 0.00 0.00 -0.44 0.00 0.00 62.40 63.17 3ico h SER 99 CO 0.82 0.10 0.00 -0.46 -0.53 0.00 0.00 176.83 176.77 3ico n ASN 100 N -4.46 0.00 -0.53 6.23 6.94 -1.26 -2.11 115.26 120.07 3ico n ASN 100 Ca 0.06 -1.21 0.05 0.00 -0.02 0.00 0.00 54.58 53.46 3ico n ASN 100 Cb 0.34 0.00 0.10 0.00 -2.36 0.00 0.00 39.78 37.85 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 -0.81 1.68 -3.93 -3.83 6.02 0.07 -4.93 117.38 111.64 3ico n GLN 101 Ca 0.13 -1.59 -0.35 0.00 -0.01 0.00 0.00 57.00 55.18 3ico n GLN 101 Cb 0.06 -1.23 -0.13 0.00 1.02 0.00 0.00 30.24 29.95 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 -0.95 3.72 -0.60 5.09 1.01 -0.90 -0.88 120.40 126.89 3ico s VAL 102 Ca 0.18 -0.38 0.03 0.00 0.00 0.00 0.00 61.98 61.81 3ico s VAL 102 Cb 0.10 -2.70 0.15 0.00 0.00 0.00 0.00 36.38 33.93 3ico s VAL 102 CO 0.14 0.41 0.37 -1.00 0.00 0.00 0.00 175.10 175.02 3ico s HIS 103 N 1.38 3.35 0.47 5.22 3.76 -0.05 -4.98 115.29 124.45 3ico s HIS 103 Ca 0.05 -3.19 -0.07 0.00 -0.15 0.00 0.00 55.06 51.70 3ico s HIS 103 Cb -0.15 -2.84 -0.04 0.00 1.11 0.00 0.00 32.58 30.66 3ico s HIS 103 CO -0.00 -0.69 0.80 -1.25 -0.85 0.00 0.00 174.74 172.75 3ico s PRO 104 N -0.69 3.62 0.56 8.40 0.04 -1.26 -4.03 135.00 141.64 3ico s PRO 104 Ca 0.20 0.32 -0.08 0.00 0.04 0.00 0.00 61.00 61.48 3ico s PRO 104 Cb -0.18 -2.36 -0.03 0.00 0.04 0.00 0.00 34.50 31.97 3ico s PRO 104 CO -0.06 -0.18 0.92 -1.64 0.04 0.00 0.00 177.00 176.07 3ico s MET 105 N -4.51 3.48 0.68 4.56 -1.94 -1.26 -5.03 119.30 115.27 3ico s MET 105 Ca 0.49 0.43 -0.16 0.00 -1.71 0.00 0.00 55.69 54.74 3ico s MET 105 Cb -0.10 -2.22 0.01 0.00 2.01 0.00 0.00 34.83 34.52 3ico s MET 105 CO 0.42 -0.44 1.20 0.00 -0.01 0.00 0.00 175.02 176.18 3ico s ALA 106 N -2.98 2.30 0.19 3.03 0.00 -1.26 -5.05 121.76 117.99 3ico s ALA 106 Ca 0.52 0.89 0.04 0.00 0.00 0.00 0.00 51.96 53.41 3ico s ALA 106 Cb -0.11 -3.45 -0.03 0.00 0.00 0.00 0.00 23.12 19.53 3ico s ALA 106 CO 0.49 -1.57 0.27 0.00 0.00 0.00 0.00 175.76 174.94 3ico s ALA 107 N -1.89 3.83 0.40 0.00 0.00 -1.26 -4.75 121.76 118.09 3ico s ALA 107 Ca 0.75 -1.18 0.17 0.00 0.00 0.00 0.00 51.96 51.69 3ico s ALA 107 Cb -0.29 -1.62 0.97 0.00 0.00 0.00 0.00 23.12 22.18 3ico s ALA 107 CO 0.41 0.40 1.93 0.66 0.00 0.00 0.00 175.76 179.16 3ico h SER 108 N 1.81 0.00 -0.63 0.00 4.64 -1.26 -0.24 113.55 117.87 3ico h SER 108 Ca -0.49 0.00 -0.21 0.00 -0.47 0.00 0.00 61.79 60.62 3ico h SER 108 Cb 1.21 0.00 -0.12 0.00 -0.31 0.00 0.00 62.40 63.18 3ico h SER 108 CO 0.64 0.25 0.27 -0.90 -0.87 0.00 0.00 176.83 176.22 3ico n ASP 109 N -4.05 4.21 -1.11 4.97 5.75 -1.26 -4.28 116.55 120.77 3ico n ASP 109 Ca -0.02 -3.02 0.00 0.00 -0.01 0.00 0.00 54.79 51.74 3ico n ASP 109 Cb 0.32 -0.71 0.00 0.00 -1.03 0.00 0.00 41.12 39.70 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 -0.16 1.40 0.21 6.12 0.00 -0.10 -4.94 105.19 107.72 3ico n GLY 110 Ca 0.35 -1.78 0.06 0.00 0.00 0.00 0.00 46.02 44.65 3ico n GLY 110 CO 0.00 0.00 0.00 -0.55 0.00 0.00 0.00 173.32 172.77 3ico h ASP 111 N 0.00 0.00 0.08 1.61 3.32 -1.92 -3.31 116.42 116.20 3ico h ASP 111 Ca 0.00 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.05 3ico h ASP 111 Cb 0.00 0.00 0.00 0.00 0.22 0.00 0.00 39.33 39.55 3ico h ASP 111 CO 0.00 0.27 -0.99 0.49 -1.72 0.00 0.00 179.24 177.28 3ico n PHE 112 N -3.99 0.01 -2.08 4.55 3.01 -1.26 -5.04 117.46 112.65 3ico n PHE 112 Ca -0.02 0.00 0.00 0.00 1.01 0.00 0.00 57.45 58.44 3ico n PHE 112 Cb 0.34 -0.08 0.00 0.00 -0.01 0.00 0.00 39.48 39.73 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 1.48 3.00 0.00 1.37 0.00 -1.25 -1.23 105.19 108.57 3ico n GLY 113 Ca 0.04 -0.22 0.05 0.00 0.00 0.00 0.00 46.02 45.89 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 -0.81 3.52 -0.02 0.00 -1.26 -4.39 105.19 102.23 3ico n GLY 114 Ca 0.00 -0.03 -0.43 0.00 0.00 0.00 0.00 46.02 45.55 3ico n GLY 114 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 3ico s ASP 115 N -2.95 6.90 0.24 1.61 -1.08 -0.36 -4.77 116.67 116.25 3ico s ASP 115 Ca 0.05 -2.58 -0.04 0.00 -0.52 0.00 0.00 52.55 49.47 3ico s ASP 115 Cb 0.06 -2.48 0.26 0.00 -1.46 0.00 0.00 42.92 39.30 3ico s ASP 115 CO 0.17 -1.00 1.72 0.25 0.52 0.00 0.00 175.17 176.83 3ico h LEU 116 N 11.15 0.81 -0.65 -1.34 5.85 -1.83 -2.83 115.31 126.47 3ico h LEU 116 Ca 0.35 -0.22 0.04 0.00 0.84 0.00 0.00 57.88 58.88 3ico h LEU 116 Cb 0.90 -0.22 -0.04 0.00 0.37 0.00 0.00 40.66 41.66 3ico h LEU 116 CO 1.33 0.90 0.39 0.44 -0.34 0.00 0.00 178.44 181.16 3ico h ASP 117 N 0.77 0.62 -0.00 1.25 5.19 -1.97 -2.10 116.42 120.18 3ico h ASP 117 Ca 0.14 0.01 -0.09 0.00 -0.62 0.00 0.00 57.03 56.47 3ico h ASP 117 Cb 0.52 -0.12 -0.01 0.00 0.18 0.00 0.00 39.33 39.89 3ico h ASP 117 CO 0.03 0.43 -0.25 0.00 -3.12 0.00 0.00 179.24 176.33 3ico h ALA 118 N 1.30 1.17 -0.67 3.45 0.00 -1.91 -0.89 119.26 121.71 3ico h ALA 118 Ca 0.27 -0.33 -0.06 0.00 0.00 0.00 0.00 54.91 54.79 3ico h ALA 118 Cb 0.07 -0.11 -0.03 0.00 0.00 0.00 0.00 17.79 17.71 3ico h ALA 118 CO -0.13 0.53 0.18 0.00 0.00 0.00 0.00 179.25 179.83 3ico h ALA 119 N 1.38 1.06 -0.11 0.00 0.00 -1.19 -0.24 119.26 120.17 3ico h ALA 119 Ca 0.06 -0.23 -0.20 0.00 0.00 0.00 0.00 54.91 54.54 3ico h ALA 119 Cb 0.63 -0.26 0.01 0.00 0.00 0.00 0.00 17.79 18.17 3ico h ALA 119 CO 0.05 0.63 -0.72 0.00 0.00 0.00 0.00 179.25 179.20 3ico h ALA 120 N 1.19 0.23 -0.70 0.00 0.00 -1.07 -2.88 119.26 116.04 3ico h ALA 120 Ca 0.21 -0.58 0.01 0.00 0.00 0.00 0.00 54.91 54.55 3ico h ALA 120 Cb 0.32 0.00 -0.04 0.00 0.00 0.00 0.00 17.79 18.08 3ico h ALA 120 CO -0.00 0.57 0.46 1.25 0.00 0.00 0.00 179.25 181.52 3ico h LEU 121 N 0.35 0.78 -0.70 0.00 5.85 -1.05 -0.75 115.31 119.79 3ico h LEU 121 Ca -0.06 -0.02 0.03 0.00 0.84 0.00 0.00 57.88 58.68 3ico h LEU 121 Cb 1.37 -0.19 -0.05 0.00 0.37 0.00 0.00 40.66 42.16 3ico h LEU 121 CO 0.15 0.56 0.43 0.00 -0.34 0.00 0.00 178.44 179.24 3ico h ALA 122 N 1.26 0.91 -0.35 1.25 0.00 -1.06 -1.38 119.26 119.91 3ico h ALA 122 Ca 0.26 -0.02 -0.06 0.00 0.00 0.00 0.00 54.91 55.09 3ico h ALA 122 Cb -0.08 -0.21 -0.02 0.00 0.00 0.00 0.00 17.79 17.48 3ico h ALA 122 CO -0.07 0.19 -0.03 -0.92 0.00 0.00 0.00 179.25 178.43 3ico h TYR 123 N 0.84 0.58 -0.78 0.00 3.20 -1.21 -2.08 116.97 117.51 3ico h TYR 123 Ca 0.28 -0.07 0.01 0.00 3.14 0.00 0.00 58.73 62.09 3ico h TYR 123 Cb 0.04 -0.16 -0.04 0.00 1.54 0.00 0.00 36.73 38.11 3ico h TYR 123 CO -0.05 0.58 0.52 1.49 -1.64 0.00 0.00 178.16 179.07 3ico h GLU 124 N 0.52 1.03 -0.54 1.82 4.81 -0.43 -1.37 114.58 120.43 3ico h GLU 124 Ca 0.11 -0.06 0.01 0.00 -0.13 0.00 0.00 59.36 59.28 3ico h GLU 124 Cb 0.39 -0.23 -0.03 0.00 0.63 0.00 0.00 28.75 29.51 3ico h GLU 124 CO 0.02 0.69 0.36 1.96 -0.73 0.00 0.00 179.01 181.30 3ico h GLN 125 N 1.06 0.72 -0.68 1.92 1.08 -0.75 0.54 115.11 119.00 3ico h GLN 125 Ca 0.29 -0.04 0.05 0.00 -1.45 0.00 0.00 58.65 57.50 3ico h GLN 125 Cb -0.12 -0.16 -0.05 0.00 -0.05 0.00 0.00 27.48 27.09 3ico h GLN 125 CO -0.06 0.47 0.39 0.28 -0.95 0.00 0.00 178.83 178.96 3ico h VAL 126 N 0.74 0.99 -0.38 -0.54 2.07 -1.10 0.15 116.25 118.18 3ico h VAL 126 Ca 0.20 -0.25 -0.04 0.00 0.82 0.00 0.00 66.70 67.43 3ico h VAL 126 Cb -0.09 0.21 -0.02 0.00 -1.52 0.00 0.00 31.29 29.88 3ico h VAL 126 CO -0.04 0.13 0.08 -0.07 0.02 0.00 0.00 177.57 177.69 3ico h LEU 127 N 0.72 0.59 -0.49 2.57 3.38 -0.71 -1.72 115.31 119.66 3ico h LEU 127 Ca 0.30 -0.25 0.00 0.00 0.09 0.00 0.00 57.88 58.02 3ico h LEU 127 Cb 0.16 -0.16 -0.02 0.00 0.09 0.00 0.00 40.66 40.73 3ico h LEU 127 CO -0.17 0.69 0.31 0.00 0.09 0.00 0.00 178.44 179.36 3ico h ALA 128 N 0.93 0.62 -0.01 1.53 0.00 -0.52 -1.06 119.26 120.74 3ico h ALA 128 Ca 0.12 -0.05 -0.01 0.00 0.00 0.00 0.00 54.91 54.98 3ico h ALA 128 Cb 0.34 -0.20 -0.00 0.00 0.00 0.00 0.00 17.79 17.93 3ico h ALA 128 CO 0.00 0.08 -0.02 0.00 0.00 0.00 0.00 179.25 179.32 3ico h ALA 129 N 1.16 1.95 0.00 0.00 0.00 -0.55 -1.68 119.26 120.14 3ico h ALA 129 Ca 0.18 -0.02 0.00 0.00 0.00 0.00 0.00 54.91 55.06 3ico h ALA 129 Cb -0.05 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 17.73 3ico h ALA 129 CO -0.04 0.04 -0.41 0.43 0.00 0.00 0.00 179.25 179.28 3ico n SER 130 N -4.51 0.54 -4.82 0.00 7.64 -0.66 -4.91 113.62 106.90 3ico n SER 130 Ca -0.03 0.13 -0.32 0.00 1.01 0.00 0.00 58.87 59.66 3ico n SER 130 Cb 0.11 -0.04 -0.01 0.00 -1.01 0.00 0.00 64.21 63.26 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 -3.08 2.89 0.53 -0.43 0.00 -0.48 -4.63 121.76 116.56 3ico s ALA 131 Ca 0.09 0.28 -0.22 0.00 0.00 0.00 0.00 51.96 52.12 3ico s ALA 131 Cb 0.15 -3.18 -0.06 0.00 0.00 0.00 0.00 23.12 20.03 3ico s ALA 131 CO 0.67 -0.57 1.21 0.00 0.00 0.00 0.00 175.76 177.07 3ico n ALA 132 N -1.88 1.03 -1.56 0.00 0.00 -1.26 -4.86 120.51 111.98 3ico n ALA 132 Ca 0.08 0.13 -0.52 0.00 0.00 0.00 0.00 53.44 53.13 3ico n ALA 132 Cb 0.53 -2.25 -0.05 0.00 0.00 0.00 0.00 19.45 17.68 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 -0.74 0.89 0.00 0.00 -0.02 -1.26 -1.04 135.00 132.84 3ico n PRO 133 Ca 0.11 0.32 0.00 0.00 -2.02 0.00 0.00 63.50 61.91 3ico n PRO 133 Cb 0.44 -1.84 0.00 0.00 -0.02 0.00 0.00 33.50 32.08 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 2.11 3.24 3.85 -1.23 0.00 -1.26 -5.05 105.19 106.85 3ico n GLY 134 Ca 0.17 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.86 3ico n GLY 134 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 3ico s ASP 135 N -0.79 6.75 0.14 1.61 1.01 -0.21 -4.99 116.67 120.19 3ico s ASP 135 Ca 0.00 1.10 0.26 0.00 0.71 0.00 0.00 52.55 54.62 3ico s ASP 135 Cb 0.00 -2.30 0.75 0.00 1.01 0.00 0.00 42.92 42.39 3ico s ASP 135 CO 0.00 -0.05 1.67 -0.81 0.21 0.00 0.00 175.17 176.19 3ico n PRO 136 N 0.11 0.21 -3.54 8.23 -0.04 -1.26 -4.79 135.00 133.92 3ico n PRO 136 Ca -0.00 0.13 -0.08 0.00 -0.04 0.00 0.00 63.50 63.51 3ico n PRO 136 Cb 0.52 -1.70 -0.02 0.00 -0.04 0.00 0.00 33.50 32.26 3ico n PRO 136 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 3ico s ALA 137 N -3.09 -1.77 0.79 0.55 0.00 -1.26 -3.42 121.76 113.56 3ico s ALA 137 Ca 0.10 0.80 -0.13 0.00 0.00 0.00 0.00 51.96 52.72 3ico s ALA 137 Cb 0.14 0.51 0.07 0.00 0.00 0.00 0.00 23.12 23.84 3ico s ALA 137 CO 0.62 -0.76 1.20 -2.14 0.00 0.00 0.00 175.76 174.68 3ico s PRO 138 N -3.22 1.76 -0.99 0.00 0.02 -1.25 -4.69 135.00 126.64 3ico s PRO 138 Ca 0.06 1.72 -0.18 0.00 0.02 0.00 0.00 61.00 62.62 3ico s PRO 138 Cb -0.01 -1.79 0.14 0.00 0.02 0.00 0.00 34.50 32.85 3ico s PRO 138 CO -0.07 -2.11 1.20 -0.80 -0.33 0.00 0.00 177.00 174.88 3ico s ASN 139 N -2.20 6.71 0.41 2.53 0.01 -1.26 -4.74 114.94 116.39 3ico s ASN 139 Ca 0.73 -2.20 -0.27 0.00 -0.71 0.00 0.00 52.86 50.41 3ico s ASN 139 Cb -0.28 -2.41 -0.09 0.00 0.41 0.00 0.00 41.25 38.88 3ico s ASN 139 CO 0.50 -1.02 1.42 -0.36 -1.51 0.00 0.00 177.10 176.13 3ico s PHE 140 N 2.57 2.60 0.00 2.20 0.08 -1.25 -4.61 117.98 119.56 3ico s PHE 140 Ca 0.35 1.26 -0.25 0.00 0.12 0.00 0.00 56.93 58.41 3ico s PHE 140 Cb -0.04 -3.91 -0.18 0.00 -0.57 0.00 0.00 43.02 38.32 3ico s PHE 140 CO -0.08 -2.77 1.28 -0.44 -0.10 0.00 0.00 175.22 173.12 3ico h ASP 141 N 2.71 -0.16 -3.46 1.36 3.32 -1.48 0.58 116.42 119.29 3ico h ASP 141 Ca -0.51 -0.29 -0.37 0.00 0.02 0.00 0.00 57.03 55.88 3ico h ASP 141 Cb 1.25 0.04 -0.34 0.00 0.22 0.00 0.00 39.33 40.50 3ico h ASP 141 CO 0.63 0.22 -0.76 -0.69 -1.72 0.00 0.00 179.24 176.92 3ico s VAL 142 N -4.59 0.30 -0.35 -1.35 1.01 -1.17 -1.86 120.40 112.40 3ico s VAL 142 Ca -0.15 0.03 -0.10 0.00 0.00 0.00 0.00 61.98 61.77 3ico s VAL 142 Cb 0.02 -0.38 0.01 0.00 0.00 0.00 0.00 36.38 36.03 3ico s VAL 142 CO 0.60 0.18 0.18 -2.28 0.00 0.00 0.00 175.10 173.78 3ico s HIS 143 N 1.11 3.22 0.31 5.22 2.46 0.06 -0.84 115.29 126.83 3ico s HIS 143 Ca -0.08 -0.83 -0.27 0.00 0.47 0.00 0.00 55.06 54.35 3ico s HIS 143 Cb -0.14 -2.40 -0.10 0.00 -0.13 0.00 0.00 32.58 29.82 3ico s HIS 143 CO -0.01 -0.58 0.96 -0.51 -2.47 0.00 0.00 174.74 172.13 3ico s LEU 144 N 1.57 4.40 -0.05 8.88 1.43 -0.32 -1.61 118.68 132.97 3ico s LEU 144 Ca 0.03 1.91 -0.07 0.00 -1.03 0.00 0.00 54.13 54.97 3ico s LEU 144 Cb -0.18 -3.92 0.01 0.00 0.03 0.00 0.00 46.19 42.13 3ico s LEU 144 CO 0.06 -0.07 0.17 -0.76 0.23 0.00 0.00 176.35 175.99 3ico s LEU 145 N -1.89 1.36 0.57 1.79 1.43 -0.03 -4.33 118.68 117.57 3ico s LEU 145 Ca 0.49 0.24 0.08 0.00 -1.03 0.00 0.00 54.13 53.90 3ico s LEU 145 Cb -0.21 0.64 0.08 0.00 0.03 0.00 0.00 46.19 46.73 3ico s LEU 145 CO 0.27 -0.14 0.78 -0.83 0.23 0.00 0.00 176.35 176.67 3ico s GLY 146 N -0.25 1.77 -0.05 -3.19 0.00 -1.26 -0.72 107.32 103.62 3ico s GLY 146 Ca -0.03 -2.00 -0.02 0.00 0.00 0.00 0.00 44.72 42.67 3ico s GLY 146 CO 0.01 -1.57 0.10 -0.29 0.00 0.00 0.00 173.10 171.35 3ico s MET 147 N -4.68 0.06 0.89 2.90 1.75 -1.26 -4.51 119.30 114.45 3ico s MET 147 Ca 0.61 0.27 -0.12 0.00 -1.25 0.00 0.00 55.69 55.20 3ico s MET 147 Cb -0.06 -0.14 0.12 0.00 2.84 0.00 0.00 34.83 37.59 3ico s MET 147 CO 0.39 -0.13 1.12 0.20 -0.65 0.00 0.00 175.02 175.95 3ico s GLY 148 N 0.86 1.59 0.62 2.11 0.00 -0.18 -4.89 107.32 107.43 3ico s GLY 148 Ca -0.07 -0.41 0.34 0.00 0.00 0.00 0.00 44.72 44.58 3ico s GLY 148 CO -0.04 0.12 2.19 -0.56 0.00 0.00 0.00 173.10 174.80 3ico h PRO 149 N -1.43 0.00 -0.31 2.90 0.13 -1.92 -0.48 132.00 130.90 3ico h PRO 149 Ca -0.50 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.63 3ico h PRO 149 Cb 1.31 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.44 3ico h PRO 149 CO 0.61 0.00 0.00 -0.85 -0.23 0.00 0.00 178.00 177.53 3ico n GLU 150 N -3.49 2.19 -0.58 0.86 0.00 -1.26 -4.38 120.64 113.97 3ico n GLU 150 Ca -0.01 -1.80 0.00 0.00 0.00 0.00 0.00 57.16 55.35 3ico n GLU 150 Cb 0.21 -1.46 0.00 0.00 0.00 0.00 0.00 31.44 30.19 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 1.35 0.74 3.77 -1.84 0.00 -0.19 -4.63 105.19 104.38 3ico n GLY 151 Ca 0.18 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 45.80 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 -2.38 3.17 0.17 1.61 -3.43 -1.26 -1.00 115.29 112.18 3ico s HIS 152 Ca 0.00 1.54 0.06 0.00 -0.80 0.00 0.00 55.06 55.87 3ico s HIS 152 Cb 0.00 -3.46 -0.05 0.00 -1.43 0.00 0.00 32.58 27.65 3ico s HIS 152 CO 0.00 -1.31 -0.12 0.96 -2.00 0.00 0.00 174.74 172.26 3ico s ILE 153 N -1.27 1.45 0.00 -5.38 -0.00 -1.20 -1.01 121.20 113.79 3ico s ILE 153 Ca 0.52 -2.13 0.00 0.00 -0.00 0.00 0.00 60.65 59.04 3ico s ILE 153 Cb -0.34 -1.94 0.00 0.00 -0.00 0.00 0.00 42.46 40.18 3ico s ILE 153 CO 0.44 -0.67 0.00 0.59 -0.00 0.00 0.00 174.94 175.30 3ico n ASN 154 N -0.27 0.00 -2.15 4.36 3.02 -1.26 -0.08 115.26 118.87 3ico n ASN 154 Ca -0.09 0.00 -0.28 0.00 -0.03 0.00 0.00 54.58 54.18 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 1.45 5.74 -4.39 6.41 7.64 -1.26 -4.94 113.62 124.27 3ico n SER 155 Ca 0.00 -3.76 -0.45 0.00 1.01 0.00 0.00 58.87 55.67 3ico n SER 155 Cb 0.00 -0.54 -0.06 0.00 -1.01 0.00 0.00 64.21 62.60 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 -3.67 5.54 0.24 -3.43 1.43 0.88 -4.92 118.68 114.75 3ico s LEU 156 Ca 0.55 -1.33 -0.01 0.00 -1.03 0.00 0.00 54.13 52.31 3ico s LEU 156 Cb 0.44 -2.27 -0.04 0.00 0.03 0.00 0.00 46.19 44.35 3ico s LEU 156 CO 0.00 -0.80 0.44 -0.36 0.23 0.00 0.00 176.35 175.86 3ico s PHE 157 N 2.00 3.48 0.20 0.29 0.08 -1.26 -3.24 117.98 119.53 3ico s PHE 157 Ca 0.07 0.40 -0.31 0.00 0.12 0.00 0.00 56.93 57.21 3ico s PHE 157 Cb -0.24 -1.91 -0.16 0.00 -0.57 0.00 0.00 43.02 40.15 3ico s PHE 157 CO 0.07 0.31 1.04 -2.30 -0.10 0.00 0.00 175.22 174.24 3ico n PRO 158 N -0.85 1.02 -1.47 0.24 -0.02 -1.26 -2.38 135.00 130.28 3ico n PRO 158 Ca -0.04 0.36 -0.16 0.00 -2.02 0.00 0.00 63.50 61.64 3ico n PRO 158 Cb 0.54 -1.77 -0.07 0.00 -0.02 0.00 0.00 33.50 32.19 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 0.98 0.00 -3.47 6.00 8.25 0.49 -4.97 115.22 122.50 3ico n HIS 159 Ca 0.14 0.00 -0.29 0.00 -0.26 0.00 0.00 57.72 57.31 3ico n HIS 159 Cb 0.26 -2.96 -0.04 0.00 1.12 0.00 0.00 29.99 28.37 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 -2.70 6.45 0.49 0.41 1.04 -1.00 -4.99 113.70 113.41 3ico s SER 160 Ca 0.00 0.64 0.20 0.00 0.48 0.00 0.00 55.95 57.28 3ico s SER 160 Cb 0.00 -2.11 1.25 0.00 0.10 0.00 0.00 66.02 65.26 3ico s SER 160 CO 0.00 -0.12 2.00 -0.65 0.98 0.00 0.00 173.24 175.45 3ico h PRO 161 N 1.96 0.15 -0.21 4.02 0.11 -1.93 -2.42 132.00 133.68 3ico h PRO 161 Ca -0.47 -0.01 -0.06 0.00 0.11 0.00 0.00 66.00 65.57 3ico h PRO 161 Cb 1.19 -0.03 -0.01 0.00 0.11 0.00 0.00 31.00 32.26 3ico h PRO 161 CO 0.68 0.10 -0.09 0.00 -0.21 0.00 0.00 178.00 178.48 3ico h ALA 162 N 1.75 0.29 0.00 -0.75 0.00 -1.91 -2.37 119.26 116.27 3ico h ALA 162 Ca 0.24 -0.28 -0.04 0.00 0.00 0.00 0.00 54.91 54.83 3ico h ALA 162 Cb 0.75 -0.07 -0.01 0.00 0.00 0.00 0.00 17.79 18.47 3ico h ALA 162 CO -0.03 0.11 -0.19 -0.24 0.00 0.00 0.00 179.25 178.90 3ico h VAL 163 N 0.14 0.64 0.00 0.00 3.04 -1.73 -2.75 116.25 115.59 3ico h VAL 163 Ca 0.05 -0.86 0.00 0.00 -1.01 0.00 0.00 66.70 64.88 3ico h VAL 163 Cb 0.56 1.55 0.00 0.00 -2.01 0.00 0.00 31.29 31.40 3ico h VAL 163 CO 0.03 0.19 -0.12 0.18 -1.01 0.00 0.00 177.57 176.84 3ico n LEU 164 N -3.58 0.69 -4.74 3.16 7.99 -0.93 -4.83 117.00 114.76 3ico n LEU 164 Ca -0.01 0.49 -0.42 0.00 -0.01 0.00 0.00 56.01 56.07 3ico n LEU 164 Cb 0.33 -0.32 -0.02 0.00 -0.11 0.00 0.00 43.42 43.31 3ico n LEU 164 CO 0.32 -0.13 1.29 -0.70 -1.51 0.00 0.00 177.39 176.67 3ico s GLU 165 N -3.10 4.13 0.00 3.23 2.56 -0.91 -4.91 118.70 119.70 3ico s GLU 165 Ca 0.10 2.58 0.02 0.00 0.00 0.00 0.00 54.97 57.68 3ico s GLU 165 Cb 0.13 -3.05 -0.01 0.00 2.00 0.00 0.00 34.13 33.21 3ico s GLU 165 CO 0.61 -0.68 0.28 -1.13 -0.56 0.00 0.00 175.26 173.79 3ico n SER 166 N 2.97 0.53 0.03 -1.70 3.41 -1.26 -4.64 113.62 112.95 3ico n SER 166 Ca 0.11 -0.76 0.00 0.00 -0.26 0.00 0.00 58.87 57.96 3ico n SER 166 Cb 0.37 0.62 0.00 0.00 -0.26 0.00 0.00 64.21 64.94 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 -0.60 0.46 -1.73 6.66 -1.04 -1.26 -4.90 114.28 111.87 3ico n THR 167 Ca 0.01 0.15 -0.38 0.00 -2.04 0.00 0.00 64.05 61.79 3ico n THR 167 Cb 0.05 -1.34 0.05 0.00 -1.82 0.00 0.00 70.33 67.27 3ico n THR 167 CO 0.00 0.00 0.00 0.54 -0.64 0.00 0.00 175.07 174.97 3ico n ARG 168 N -3.18 1.42 0.02 -2.82 5.12 -1.26 -4.96 116.66 111.00 3ico n ARG 168 Ca 0.00 0.53 -0.06 0.00 -1.93 0.00 0.00 57.85 56.39 3ico n ARG 168 Cb 0.22 -2.53 -0.12 0.00 -1.16 0.00 0.00 32.46 28.87 3ico n ARG 168 CO 0.00 0.00 0.00 0.52 -1.93 0.00 0.00 177.63 176.22 3ico h MET 169 N 1.04 0.00 -3.72 5.56 2.86 -1.95 -3.43 114.93 115.29 3ico h MET 169 Ca -0.51 0.00 -0.27 0.00 -2.06 0.00 0.00 59.70 56.86 3ico h MET 169 Cb 1.32 0.00 -0.30 0.00 0.06 0.00 0.00 31.60 32.68 3ico h MET 169 CO 0.55 0.62 -0.73 0.08 1.06 0.00 0.00 176.91 178.50 3ico s VAL 170 N -2.69 0.03 0.07 -2.22 1.01 -1.26 -1.91 120.40 113.43 3ico s VAL 170 Ca -0.02 0.05 0.01 0.00 0.00 0.00 0.00 61.98 62.02 3ico s VAL 170 Cb 0.09 -0.09 -0.04 0.00 0.00 0.00 0.00 36.38 36.35 3ico s VAL 170 CO 0.82 0.05 -0.06 0.68 0.00 0.00 0.00 175.10 176.59 3ico s VAL 171 N 0.41 0.51 0.35 2.92 -7.23 -0.45 -4.72 120.40 112.19 3ico s VAL 171 Ca -0.03 -1.60 -0.26 0.00 -1.81 0.00 0.00 61.98 58.28 3ico s VAL 171 Cb -0.05 -1.24 -0.09 0.00 0.56 0.00 0.00 36.38 35.55 3ico s VAL 171 CO -0.01 -0.74 1.05 0.00 -0.31 0.00 0.00 175.10 175.10 3ico s ALA 172 N -2.90 3.20 -0.29 1.32 0.00 -1.26 -1.59 121.76 120.23 3ico s ALA 172 Ca 0.03 0.75 0.03 0.00 0.00 0.00 0.00 51.96 52.77 3ico s ALA 172 Cb 0.00 -3.28 0.07 0.00 0.00 0.00 0.00 23.12 19.92 3ico s ALA 172 CO -0.04 -0.16 -0.04 0.08 0.00 0.00 0.00 175.76 175.59 3ico s VAL 173 N -1.49 2.26 -0.29 0.00 1.01 0.10 -4.90 120.40 117.10 3ico s VAL 173 Ca 0.53 -1.89 0.22 0.00 0.00 0.00 0.00 61.98 60.85 3ico s VAL 173 Cb -0.25 -2.46 0.10 0.00 0.00 0.00 0.00 36.38 33.77 3ico s VAL 173 CO 0.32 -0.25 1.21 0.44 0.00 0.00 0.00 175.10 176.82 3ico h ASP 174 N 7.73 0.00 0.00 3.32 3.32 -1.83 0.19 116.42 129.15 3ico h ASP 174 Ca -0.14 0.00 -0.03 0.00 0.02 0.00 0.00 57.03 56.88 3ico h ASP 174 Cb 1.03 0.00 -0.07 0.00 0.22 0.00 0.00 39.33 40.52 3ico h ASP 174 CO 0.49 0.01 -0.46 -0.90 -1.72 0.00 0.00 179.24 176.66 3ico n ASP 175 N -2.81 1.58 -4.71 6.45 5.75 -1.17 -4.38 116.55 117.26 3ico n ASP 175 Ca 0.01 -3.16 -0.42 0.00 -0.01 0.00 0.00 54.79 51.20 3ico n ASP 175 Cb 0.55 -0.43 -0.03 0.00 -1.03 0.00 0.00 41.12 40.18 3ico n ASP 175 CO 0.00 0.00 0.00 -0.24 -0.11 0.00 0.00 177.20 176.85 3ico n SER 176 N -0.81 4.01 0.26 -1.12 2.88 -0.33 -4.87 113.62 113.64 3ico n SER 176 Ca 0.14 1.03 0.18 0.00 -1.33 0.00 0.00 58.87 58.89 3ico n SER 176 Cb 0.76 -1.56 0.81 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 7.41 0.00 -5.44 -1.46 0.13 -1.92 -3.41 132.00 127.31 3ico h PRO 177 Ca -0.44 0.00 -0.66 0.00 -0.87 0.00 0.00 66.00 64.03 3ico h PRO 177 Cb 1.21 0.00 -0.27 0.00 0.13 0.00 0.00 31.00 32.07 3ico h PRO 177 CO 0.95 0.00 -0.77 0.21 -0.23 0.00 0.00 178.00 178.16 3ico s LYS 178 N -3.75 3.26 0.65 0.86 2.20 -1.26 -5.10 119.74 116.60 3ico s LYS 178 Ca -0.01 -0.70 -0.18 0.00 -0.36 0.00 0.00 55.97 54.73 3ico s LYS 178 Cb 0.10 -2.58 -0.01 0.00 -1.51 0.00 0.00 37.83 33.82 3ico s LYS 178 CO 0.44 0.26 1.27 -1.25 -0.36 0.00 0.00 175.35 175.71 3ico s PRO 179 N 0.22 2.59 0.59 4.03 0.04 -1.26 -4.40 135.00 136.80 3ico s PRO 179 Ca -0.09 1.99 -0.15 0.00 0.04 0.00 0.00 61.00 62.79 3ico s PRO 179 Cb -0.15 -1.86 -0.04 0.00 0.04 0.00 0.00 34.50 32.49 3ico s PRO 179 CO 0.05 -1.55 1.05 -1.25 0.04 0.00 0.00 177.00 175.34 3ico s PRO 180 N -3.42 3.39 0.31 0.56 0.04 -1.26 -5.09 135.00 129.53 3ico s PRO 180 Ca 0.81 1.14 0.12 0.00 0.04 0.00 0.00 61.00 63.11 3ico s PRO 180 Cb -0.35 -2.05 0.48 0.00 0.04 0.00 0.00 34.50 32.62 3ico s PRO 180 CO 0.39 -0.74 1.68 -1.00 0.04 0.00 0.00 177.00 177.37 3ico h PRO 181 N 0.42 0.00 -5.13 0.56 0.13 -1.81 -3.44 132.00 122.73 3ico h PRO 181 Ca -0.47 0.00 -0.63 0.00 -0.87 0.00 0.00 66.00 64.04 3ico h PRO 181 Cb 1.21 0.00 -0.17 0.00 0.13 0.00 0.00 31.00 32.17 3ico h PRO 181 CO 0.58 0.53 -0.56 1.03 -0.23 0.00 0.00 178.00 179.35 3ico s ARG 182 N -3.75 3.92 0.05 0.86 0.52 -1.26 -1.19 118.95 118.10 3ico s ARG 182 Ca -0.02 -0.36 -0.03 0.00 -0.52 0.00 0.00 55.73 54.81 3ico s ARG 182 Cb 0.13 -3.34 -0.03 0.00 0.52 0.00 0.00 34.95 32.23 3ico s ARG 182 CO 0.74 0.08 0.02 1.03 0.02 0.00 0.00 175.30 177.20 3ico s ARG 183 N 0.92 0.63 -0.07 3.54 0.52 0.05 -0.26 118.95 124.29 3ico s ARG 183 Ca 0.05 -1.09 0.01 0.00 -0.52 0.00 0.00 55.73 54.19 3ico s ARG 183 Cb -0.14 0.23 -0.03 0.00 0.52 0.00 0.00 34.95 35.54 3ico s ARG 183 CO 0.03 -0.14 -0.10 0.42 0.02 0.00 0.00 175.30 175.54 3ico s ILE 184 N -3.61 3.46 -0.02 1.52 1.01 -0.26 0.00 121.20 123.30 3ico s ILE 184 Ca 0.04 -0.56 -0.02 0.00 0.00 0.00 0.00 60.65 60.10 3ico s ILE 184 Cb 0.05 -2.40 0.00 0.00 0.01 0.00 0.00 42.46 40.12 3ico s ILE 184 CO -0.09 0.59 0.06 0.28 0.00 0.00 0.00 174.94 175.78 3ico s THR 185 N -0.66 0.01 0.45 2.92 -1.32 -0.62 -1.20 115.64 115.23 3ico s THR 185 Ca 0.10 -0.08 -0.22 0.00 -1.21 0.00 0.00 61.69 60.27 3ico s THR 185 Cb -0.11 -0.12 -0.08 0.00 -1.51 0.00 0.00 72.50 70.67 3ico s THR 185 CO 0.01 -0.04 1.09 -0.76 -2.21 0.00 0.00 174.62 172.71 3ico s LEU 186 N -0.11 3.99 0.63 9.08 1.43 0.69 -1.34 118.68 133.05 3ico s LEU 186 Ca -0.02 2.11 0.04 0.00 -1.03 0.00 0.00 54.13 55.24 3ico s LEU 186 Cb -0.01 -4.34 0.10 0.00 0.03 0.00 0.00 46.19 41.97 3ico s LEU 186 CO 0.00 -0.77 0.87 0.42 0.23 0.00 0.00 176.35 177.10 3ico s THR 187 N -1.71 2.21 0.17 5.49 -4.23 -0.80 -4.73 115.64 112.03 3ico s THR 187 Ca 0.63 -0.80 -0.13 0.00 -1.18 0.00 0.00 61.69 60.21 3ico s THR 187 Cb -0.23 -2.41 0.06 0.00 1.34 0.00 0.00 72.50 71.27 3ico s THR 187 CO 0.28 0.00 1.75 -0.07 -0.54 0.00 0.00 174.62 176.04 3ico h LEU 188 N -0.13 0.73 -0.98 4.79 3.38 -1.83 -1.34 115.31 119.94 3ico h LEU 188 Ca -0.34 -0.13 0.14 0.00 0.09 0.00 0.00 57.88 57.64 3ico h LEU 188 Cb 1.28 -0.19 -0.09 0.00 0.09 0.00 0.00 40.66 41.75 3ico h LEU 188 CO 0.41 0.66 0.60 -0.65 0.09 0.00 0.00 178.44 179.55 3ico h PRO 189 N 0.75 0.87 -0.21 1.13 0.11 -1.85 -0.29 132.00 132.50 3ico h PRO 189 Ca 0.19 -0.05 -0.04 0.00 0.11 0.00 0.00 66.00 66.21 3ico h PRO 189 Cb 0.12 -0.20 -0.01 0.00 0.11 0.00 0.00 31.00 31.03 3ico h PRO 189 CO -0.02 0.57 -0.01 0.00 -0.21 0.00 0.00 178.00 178.33 3ico h ALA 190 N 1.56 0.29 -1.00 -0.75 0.00 -1.67 -2.81 119.26 114.88 3ico h ALA 190 Ca 0.51 -0.22 0.04 0.00 0.00 0.00 0.00 54.91 55.24 3ico h ALA 190 Cb 0.60 -0.08 -0.06 0.00 0.00 0.00 0.00 17.79 18.25 3ico h ALA 190 CO -0.30 0.02 0.66 0.82 0.00 0.00 0.00 179.25 180.44 3ico h ILE 191 N 0.14 1.16 0.00 0.00 2.04 -0.97 -2.43 117.51 117.45 3ico h ILE 191 Ca 0.06 -0.43 0.00 0.00 1.00 0.00 0.00 64.86 65.49 3ico h ILE 191 Cb 0.42 -0.20 0.00 0.00 -0.74 0.00 0.00 36.82 36.30 3ico h ILE 191 CO 0.01 0.23 0.00 0.00 0.00 0.00 0.00 178.15 178.39 3ico n GLN 192 N -4.45 0.05 0.22 2.37 6.02 -0.15 -1.68 117.38 119.76 3ico n GLN 192 Ca 0.14 0.14 0.14 0.00 -0.01 0.00 0.00 57.00 57.41 3ico n GLN 192 Cb 0.11 -1.50 0.39 0.00 1.02 0.00 0.00 30.24 30.26 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 -6.89 -1.09 3.08 -1.18 -3.38 114.38 104.92 3ico h ARG 193 Ca 0.00 0.00 -0.52 0.00 0.07 0.00 0.00 59.98 59.53 3ico h ARG 193 Cb 0.33 0.00 0.06 0.00 0.08 0.00 0.00 29.97 30.44 3ico h ARG 193 CO 0.00 0.00 0.62 -1.12 -1.07 0.00 0.00 179.97 178.40 3ico s SER 194 N -5.71 6.74 0.11 7.04 0.01 -0.68 -3.84 113.70 117.38 3ico s SER 194 Ca 0.05 2.65 -0.24 0.00 1.31 0.00 0.00 55.95 59.72 3ico s SER 194 Cb 0.07 -2.65 -0.08 0.00 0.21 0.00 0.00 66.02 63.58 3ico s SER 194 CO 0.60 -0.55 1.68 0.03 0.41 0.00 0.00 173.24 175.41 3ico h ARG 195 N 3.30 -0.26 -5.59 12.44 3.08 0.05 0.25 114.38 127.66 3ico h ARG 195 Ca -0.49 0.02 -0.57 0.00 0.07 0.00 0.00 59.98 59.01 3ico h ARG 195 Cb 1.23 0.06 -0.30 0.00 0.08 0.00 0.00 29.97 31.03 3ico h ARG 195 CO 0.65 -0.17 -0.84 -1.21 -1.07 0.00 0.00 179.97 177.33 3ico s GLU 196 N -6.13 1.66 -0.15 0.04 2.02 -0.78 -0.59 118.70 114.76 3ico s GLU 196 Ca -0.15 -0.65 0.01 0.00 0.02 0.00 0.00 54.97 54.21 3ico s GLU 196 Cb 0.08 -1.52 0.01 0.00 0.10 0.00 0.00 34.13 32.80 3ico s GLU 196 CO 0.66 0.33 -0.19 0.08 0.02 0.00 0.00 175.26 176.16 3ico s VAL 197 N -0.22 2.28 -0.14 2.63 1.01 -0.82 -0.76 120.40 124.37 3ico s VAL 197 Ca 0.02 -0.90 0.02 0.00 0.00 0.00 0.00 61.98 61.12 3ico s VAL 197 Cb -0.09 -1.94 0.00 0.00 0.00 0.00 0.00 36.38 34.35 3ico s VAL 197 CO 0.01 0.53 -0.19 0.26 0.00 0.00 0.00 175.10 175.71 3ico s TRP 198 N 0.92 2.71 -0.21 5.22 0.51 -0.64 -0.56 118.94 126.89 3ico s TRP 198 Ca -0.04 -1.11 -0.08 0.00 -2.12 0.00 0.00 56.10 52.75 3ico s TRP 198 Cb -0.15 -1.84 -0.04 0.00 -0.81 0.00 0.00 33.47 30.64 3ico s TRP 198 CO -0.03 -0.49 0.08 -0.51 -0.51 0.00 0.00 176.95 175.48 3ico s LEU 199 N 0.71 3.70 -0.55 2.99 1.02 0.56 -0.85 118.68 126.27 3ico s LEU 199 Ca -0.08 -0.03 -0.08 0.00 0.02 0.00 0.00 54.13 53.96 3ico s LEU 199 Cb -0.16 -1.96 0.14 0.00 0.02 0.00 0.00 46.19 44.23 3ico s LEU 199 CO 0.01 0.08 0.41 -0.76 0.02 0.00 0.00 176.35 176.12 3ico s LEU 200 N 0.93 5.74 -0.15 1.79 1.02 0.10 -0.18 118.68 127.92 3ico s LEU 200 Ca 0.04 -2.20 0.00 0.00 0.02 0.00 0.00 54.13 52.00 3ico s LEU 200 Cb -0.14 -2.00 0.02 0.00 0.02 0.00 0.00 46.19 44.10 3ico s LEU 200 CO 0.03 -0.61 -0.14 -0.69 0.02 0.00 0.00 176.35 174.96 3ico s VAL 201 N 0.93 1.59 0.04 -1.59 1.01 -0.08 -4.51 120.40 117.79 3ico s VAL 201 Ca 0.10 -0.68 0.03 0.00 0.00 0.00 0.00 61.98 61.42 3ico s VAL 201 Cb -0.23 -1.51 -0.02 0.00 0.00 0.00 0.00 36.38 34.62 3ico s VAL 201 CO -0.02 0.43 -0.09 -0.94 0.00 0.00 0.00 175.10 174.47 3ico s SER 202 N 1.47 1.02 0.00 3.32 1.04 -1.26 -2.79 113.70 116.50 3ico s SER 202 Ca 0.04 -0.52 0.00 0.00 0.48 0.00 0.00 55.95 55.95 3ico s SER 202 Cb -0.13 0.00 0.00 0.00 0.10 0.00 0.00 66.02 65.99 3ico s SER 202 CO -0.11 -0.15 0.00 0.61 0.98 0.00 0.00 173.24 174.58 3ico n GLY 203 N 1.58 2.96 0.23 7.32 0.00 -1.26 -4.73 105.19 111.29 3ico n GLY 203 Ca -0.21 -1.76 0.08 0.00 0.00 0.00 0.00 46.02 44.13 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 0.00 1.61 0.13 -1.96 -2.74 132.00 129.04 3ico h PRO 204 Ca 0.00 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.13 3ico h PRO 204 Cb 0.00 0.00 0.00 0.00 0.13 0.00 0.00 31.00 31.13 3ico h PRO 204 CO 0.00 0.20 0.00 0.78 -0.23 0.00 0.00 178.00 178.75 3ico h GLY 205 N 0.91 0.00 0.00 1.56 0.00 -1.90 -3.10 103.07 100.54 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 0.03 0.00 -1.19 0.28 0.00 0.00 0.00 176.54 175.65 3ico n LYS 206 N -2.32 0.22 -0.17 4.80 4.76 -1.04 -4.50 118.16 119.91 3ico n LYS 206 Ca 0.03 -0.04 -0.03 0.00 -2.87 0.00 0.00 58.31 55.39 3ico n LYS 206 Cb 0.28 -1.49 0.07 0.00 -1.84 0.00 0.00 35.03 32.04 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 2.75 0.67 -0.21 7.82 0.00 -1.58 -0.55 119.26 128.16 3ico h ALA 207 Ca 0.00 0.04 -0.02 0.00 0.00 0.00 0.00 54.91 54.93 3ico h ALA 207 Cb 0.59 -0.02 -0.01 0.00 0.00 0.00 0.00 17.79 18.35 3ico h ALA 207 CO 0.00 -0.14 0.05 -0.44 0.00 0.00 0.00 179.25 178.72 3ico h ASP 208 N 0.45 0.33 -0.72 0.00 5.19 -1.84 -1.87 116.42 117.97 3ico h ASP 208 Ca 0.25 -0.24 -0.03 0.00 -0.62 0.00 0.00 57.03 56.38 3ico h ASP 208 Cb 0.21 -0.09 -0.03 0.00 0.18 0.00 0.00 39.33 39.60 3ico h ASP 208 CO -0.21 0.49 0.31 0.00 -3.12 0.00 0.00 179.24 176.72 3ico h ALA 209 N 0.86 0.93 0.05 3.45 0.00 -1.70 -0.93 119.26 121.91 3ico h ALA 209 Ca 0.07 -0.17 0.03 0.00 0.00 0.00 0.00 54.91 54.84 3ico h ALA 209 Cb 0.29 -0.28 -0.04 0.00 0.00 0.00 0.00 17.79 17.76 3ico h ALA 209 CO 0.00 0.53 -0.27 0.28 0.00 0.00 0.00 179.25 179.78 3ico h VAL 210 N 1.02 0.39 -0.89 0.00 2.07 -1.03 0.23 116.25 118.04 3ico h VAL 210 Ca 0.24 0.00 -0.02 0.00 0.82 0.00 0.00 66.70 67.75 3ico h VAL 210 Cb 0.17 0.39 -0.04 0.00 -1.52 0.00 0.00 31.29 30.29 3ico h VAL 210 CO -0.03 0.00 0.49 0.00 0.02 0.00 0.00 177.57 178.06 3ico h ALA 211 N 0.32 1.20 -0.23 1.67 0.00 -1.19 0.97 119.26 122.00 3ico h ALA 211 Ca 0.05 -0.13 -0.02 0.00 0.00 0.00 0.00 54.91 54.82 3ico h ALA 211 Cb 0.51 -0.36 -0.01 0.00 0.00 0.00 0.00 17.79 17.93 3ico h ALA 211 CO -0.21 0.65 0.07 0.00 0.00 0.00 0.00 179.25 179.77 3ico h ALA 212 N 1.30 0.30 0.29 0.00 0.00 -0.85 0.78 119.26 121.07 3ico h ALA 212 Ca 0.31 -0.14 -0.01 0.00 0.00 0.00 0.00 54.91 55.07 3ico h ALA 212 Cb 0.01 -0.09 0.00 0.00 0.00 0.00 0.00 17.79 17.72 3ico h ALA 212 CO -0.05 -0.08 -0.14 0.00 0.00 0.00 0.00 179.25 178.98 3ico h ALA 213 N 0.90 -0.39 -0.44 0.00 0.00 -0.10 -1.72 119.26 117.50 3ico h ALA 213 Ca 0.07 -0.11 -0.03 0.00 0.00 0.00 0.00 54.91 54.85 3ico h ALA 213 Cb 0.23 0.15 -0.02 0.00 0.00 0.00 0.00 17.79 18.15 3ico h ALA 213 CO -0.00 -0.69 0.16 0.82 0.00 0.00 0.00 179.25 179.53 3ico h ILE 214 N -0.45 1.18 0.00 0.00 2.04 -0.86 -0.82 117.51 118.60 3ico h ILE 214 Ca -0.04 -0.58 0.00 0.00 1.00 0.00 0.00 64.86 65.24 3ico h ILE 214 Cb 0.34 0.67 0.00 0.00 -0.74 0.00 0.00 36.82 37.09 3ico h ILE 214 CO 0.07 0.22 0.00 0.61 0.00 0.00 0.00 178.15 179.05 3ico n GLY 215 N -1.10 -0.60 1.51 5.37 0.00 0.26 -4.87 105.19 105.75 3ico n GLY 215 Ca 0.03 -0.06 0.00 0.00 0.00 0.00 0.00 46.02 45.99 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 0.16 0.84 3.75 -0.02 0.00 -0.31 -5.02 105.19 104.58 3ico n GLY 216 Ca 0.08 -0.68 -0.31 0.00 0.00 0.00 0.00 46.02 45.11 3ico n GLY 216 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3ico s ALA 217 N -2.67 2.07 -0.05 4.61 0.00 -0.67 -4.94 121.76 120.10 3ico s ALA 217 Ca 0.00 0.27 -0.31 0.00 0.00 0.00 0.00 51.96 51.92 3ico s ALA 217 Cb 0.00 -3.29 -0.09 0.00 0.00 0.00 0.00 23.12 19.74 3ico s ALA 217 CO 0.00 -1.96 1.99 -3.47 0.00 0.00 0.00 175.76 172.32 3ico n ASP 218 N -3.65 3.74 -0.19 0.00 -0.08 -1.26 -4.82 116.55 110.28 3ico n ASP 218 Ca 0.09 0.81 0.25 0.00 -1.51 0.00 0.00 54.79 54.43 3ico n ASP 218 Cb 0.53 -1.47 0.65 0.00 2.34 0.00 0.00 41.12 43.18 3ico n ASP 218 CO 0.00 0.00 0.00 -0.65 0.12 0.00 0.00 177.20 176.67 3ico h PRO 219 N 10.84 0.13 -0.23 -0.67 0.11 -1.89 0.27 132.00 140.56 3ico h PRO 219 Ca -0.47 -0.01 -0.03 0.00 0.11 0.00 0.00 66.00 65.60 3ico h PRO 219 Cb 1.25 -0.03 -0.01 0.00 0.11 0.00 0.00 31.00 32.32 3ico h PRO 219 CO 0.95 0.08 0.03 0.28 -0.21 0.00 0.00 178.00 179.13 3ico h VAL 220 N 0.13 1.13 0.11 3.15 2.07 -1.90 -0.64 116.25 120.31 3ico h VAL 220 Ca 0.43 -0.49 -0.22 0.00 0.82 0.00 0.00 66.70 67.24 3ico h VAL 220 Cb 1.50 0.93 0.01 0.00 -1.52 0.00 0.00 31.29 32.21 3ico h VAL 220 CO -0.06 0.17 -1.07 0.28 0.02 0.00 0.00 177.57 176.90 3ico h SER 221 N 0.33 0.37 -3.69 0.57 0.02 -0.96 0.14 113.55 110.33 3ico h SER 221 Ca 0.08 -0.88 -0.62 0.00 -0.84 0.00 0.00 61.79 59.53 3ico h SER 221 Cb 0.18 -0.12 -0.40 0.00 0.14 0.00 0.00 62.40 62.20 3ico h SER 221 CO 0.00 1.48 -0.71 -0.69 -1.14 0.00 0.00 176.83 175.77 3ico s VAL 222 N -2.43 1.71 0.29 2.27 1.01 0.21 -4.62 120.40 118.85 3ico s VAL 222 Ca -0.18 -2.54 0.05 0.00 0.00 0.00 0.00 61.98 59.30 3ico s VAL 222 Cb 0.03 -2.22 0.29 0.00 0.00 0.00 0.00 36.38 34.48 3ico s VAL 222 CO 0.78 -0.80 1.74 -0.65 0.00 0.00 0.00 175.10 176.16 3ico h PRO 223 N 6.98 0.56 -0.55 2.72 0.11 -1.06 -1.09 132.00 139.67 3ico h PRO 223 Ca -0.05 -0.03 0.16 0.00 0.11 0.00 0.00 66.00 66.19 3ico h PRO 223 Cb 0.94 -0.13 -0.02 0.00 0.11 0.00 0.00 31.00 31.91 3ico h PRO 223 CO 0.53 0.37 0.56 0.00 -0.21 0.00 0.00 178.00 179.25 3ico h ALA 224 N 1.67 2.32 0.00 -0.75 0.00 -1.34 0.05 119.26 121.21 3ico h ALA 224 Ca 0.57 -0.02 -0.03 0.00 0.00 0.00 0.00 54.91 55.43 3ico h ALA 224 Cb 0.99 0.04 -0.00 0.00 0.00 0.00 0.00 17.79 18.81 3ico h ALA 224 CO -0.45 -0.85 -0.14 0.00 0.00 0.00 0.00 179.25 177.82 3ico h ALA 225 N 1.40 1.58 -0.01 0.00 0.00 -1.47 -1.51 119.26 119.25 3ico h ALA 225 Ca 0.26 -0.13 0.00 0.00 0.00 0.00 0.00 54.91 55.05 3ico h ALA 225 Cb 1.38 -0.02 0.00 0.00 0.00 0.00 0.00 17.79 19.15 3ico h ALA 225 CO -0.00 0.17 -0.04 0.41 0.00 0.00 0.00 179.25 179.79 3ico n GLY 226 N -0.98 -0.36 3.43 0.00 0.00 0.00 -4.71 105.19 102.58 3ico n GLY 226 Ca -0.02 -0.38 -0.43 0.00 0.00 0.00 0.00 46.02 45.19 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 -0.26 3.95 -3.62 4.61 0.00 -0.57 -4.81 120.51 119.82 3ico n ALA 227 Ca 0.19 -4.07 -0.28 0.00 0.00 0.00 0.00 53.44 49.27 3ico n ALA 227 Cb 0.30 -3.30 -0.17 0.00 0.00 0.00 0.00 19.45 16.29 3ico n ALA 227 CO 0.00 0.00 0.00 0.08 0.00 0.00 0.00 177.50 177.58 3ico s VAL 228 N 2.63 1.48 0.57 0.00 1.01 -1.26 -4.91 120.40 119.92 3ico s VAL 228 Ca 0.47 -0.64 -0.08 0.00 0.00 0.00 0.00 61.98 61.74 3ico s VAL 228 Cb 0.02 -1.35 -0.02 0.00 0.00 0.00 0.00 36.38 35.02 3ico s VAL 228 CO 0.03 0.44 0.92 -0.83 0.00 0.00 0.00 175.10 175.65 3ico s GLY 229 N 0.93 1.58 0.15 4.51 0.00 -1.22 -4.24 107.32 109.03 3ico s GLY 229 Ca -0.08 -0.42 -0.12 0.00 0.00 0.00 0.00 44.72 44.10 3ico s GLY 229 CO -0.01 -0.18 1.60 3.21 0.00 0.00 0.00 173.10 177.73 3ico h ARG 230 N -0.12 0.87 0.00 2.90 3.08 -0.02 -3.37 114.38 117.71 3ico h ARG 230 Ca -0.46 -0.28 -0.26 0.00 0.07 0.00 0.00 59.98 59.05 3ico h ARG 230 Cb 1.22 -0.08 -0.05 0.00 0.08 0.00 0.00 29.97 31.14 3ico h ARG 230 CO 0.62 0.90 -2.00 1.04 -1.07 0.00 0.00 179.97 179.46 3ico n GLN 231 N -4.33 0.84 -3.76 0.04 1.13 0.24 -5.05 117.38 106.49 3ico n GLN 231 Ca 0.01 0.07 -0.07 0.00 -1.94 0.00 0.00 57.00 55.07 3ico n GLN 231 Cb 0.31 -1.36 -0.02 0.00 0.11 0.00 0.00 30.24 29.29 3ico n GLN 231 CO 0.00 0.00 0.00 0.54 -1.44 0.00 0.00 177.06 176.16 3ico s ASN 232 N -5.42 -0.30 -0.06 1.08 4.22 -0.99 -4.61 114.94 108.86 3ico s ASN 232 Ca -0.19 -0.45 -0.01 0.00 -2.14 0.00 0.00 52.86 50.08 3ico s ASN 232 Cb 0.06 0.65 0.03 0.00 1.28 0.00 0.00 41.25 43.26 3ico s ASN 232 CO 0.46 -1.17 -0.01 -0.89 -2.04 0.00 0.00 177.10 173.45 3ico s THR 233 N -3.74 0.39 -0.22 0.54 2.01 -1.26 -1.95 115.64 111.42 3ico s THR 233 Ca 0.09 0.07 0.02 0.00 0.31 0.00 0.00 61.69 62.18 3ico s THR 233 Cb -0.04 -0.52 0.04 0.00 0.01 0.00 0.00 72.50 71.99 3ico s THR 233 CO 0.02 0.24 -0.16 -0.22 -0.69 0.00 0.00 174.62 173.82 3ico s LEU 234 N 1.68 2.71 -0.44 4.42 2.96 0.28 -1.12 118.68 129.17 3ico s LEU 234 Ca 0.01 -0.98 -0.18 0.00 -0.22 0.00 0.00 54.13 52.76 3ico s LEU 234 Cb -0.13 -1.51 0.03 0.00 0.50 0.00 0.00 46.19 45.08 3ico s LEU 234 CO -0.04 -0.08 0.48 0.26 -1.32 0.00 0.00 176.35 175.64 3ico s TRP 235 N 1.21 3.15 -0.36 5.38 0.52 0.02 -0.32 118.94 128.54 3ico s TRP 235 Ca -0.01 -0.40 -0.11 0.00 0.02 0.00 0.00 56.10 55.59 3ico s TRP 235 Cb -0.16 -3.03 0.01 0.00 -1.15 0.00 0.00 33.47 29.14 3ico s TRP 235 CO -0.09 -0.76 0.21 -0.51 0.02 0.00 0.00 176.95 175.81 3ico s LEU 236 N 2.22 4.56 0.13 2.99 1.43 0.74 -1.16 118.68 129.60 3ico s LEU 236 Ca 0.13 -0.77 0.10 0.00 -1.03 0.00 0.00 54.13 52.55 3ico s LEU 236 Cb -0.17 -2.05 -0.04 0.00 0.03 0.00 0.00 46.19 43.96 3ico s LEU 236 CO 0.13 -0.32 -0.24 -0.76 0.23 0.00 0.00 176.35 175.40 3ico s LEU 237 N 1.61 2.34 0.63 1.79 1.43 -0.41 -0.90 118.68 125.18 3ico s LEU 237 Ca 0.04 -0.76 -0.02 0.00 -1.03 0.00 0.00 54.13 52.35 3ico s LEU 237 Cb -0.18 -1.06 0.06 0.00 0.03 0.00 0.00 46.19 45.03 3ico s LEU 237 CO 0.07 0.11 0.90 1.51 0.23 0.00 0.00 176.35 179.17 3ico s ASP 238 N -2.16 4.97 0.27 2.29 -4.77 -1.12 -0.73 116.67 115.41 3ico s ASP 238 Ca 0.13 0.15 -0.02 0.00 -3.30 0.00 0.00 52.55 49.51 3ico s ASP 238 Cb -0.09 -0.88 0.44 0.00 -1.09 0.00 0.00 42.92 41.29 3ico s ASP 238 CO 0.06 -1.42 1.86 -0.09 0.70 0.00 0.00 175.17 176.29 3ico h ARG 239 N -0.28 1.05 -0.50 2.11 2.43 -1.27 -2.22 114.38 115.70 3ico h ARG 239 Ca -0.43 -0.06 -0.01 0.00 -0.81 0.00 0.00 59.98 58.67 3ico h ARG 239 Cb 1.30 -0.24 -0.02 0.00 -0.42 0.00 0.00 29.97 30.59 3ico h ARG 239 CO 0.54 0.69 0.26 -0.44 -1.51 0.00 0.00 179.97 179.52 3ico h ASP 240 N 1.08 0.64 0.92 -3.80 3.32 -1.88 -2.64 116.42 114.06 3ico h ASP 240 Ca 0.44 -0.11 -0.00 0.00 0.02 0.00 0.00 57.03 57.38 3ico h ASP 240 Cb 0.27 -0.16 -0.00 0.00 0.22 0.00 0.00 39.33 39.65 3ico h ASP 240 CO -0.20 0.56 -0.00 0.00 -1.72 0.00 0.00 179.24 177.88 3ico h ALA 241 N 1.10 1.00 -0.01 3.45 0.00 -1.37 -2.64 119.26 120.79 3ico h ALA 241 Ca 0.17 -0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.08 3ico h ALA 241 Cb 0.08 -0.00 0.00 0.00 0.00 0.00 0.00 17.79 17.87 3ico h ALA 241 CO -0.03 0.00 -0.16 0.00 0.00 0.00 0.00 179.25 179.06 3ico n ALA 242 N -2.09 2.89 0.28 0.00 0.00 -0.96 -4.10 120.51 116.53 3ico n ALA 242 Ca 0.00 -0.47 0.13 0.00 0.00 0.00 0.00 53.44 53.10 3ico n ALA 242 Cb 0.28 -1.08 0.81 0.00 0.00 0.00 0.00 19.45 19.46 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 4.04 1.62 -0.63 0.00 0.00 -1.29 -2.51 119.26 120.51 3ico h ALA 243 Ca 0.00 -0.02 0.00 0.00 0.00 0.00 0.00 54.91 54.89 3ico h ALA 243 Cb 0.57 -0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.36 3ico h ALA 243 CO 0.00 0.03 0.00 1.63 0.00 0.00 0.00 179.25 180.91 3ico n LYS 244 N -4.02 2.68 -1.82 0.00 4.76 -1.26 -4.96 118.16 113.54 3ico n LYS 244 Ca -0.03 -2.52 -0.31 0.00 -2.87 0.00 0.00 58.31 52.58 3ico n LYS 244 Cb 0.11 -1.52 0.02 0.00 -1.84 0.00 0.00 35.03 31.80 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 -1.08 3.27 0.00 -0.35 1.43 -0.95 -4.81 118.68 116.19 3ico s LEU 245 Ca 0.44 1.59 0.17 0.00 -1.03 0.00 0.00 54.13 55.30 3ico s LEU 245 Cb 0.23 -4.50 1.02 0.00 0.03 0.00 0.00 46.19 42.98 3ico s LEU 245 CO 0.31 -1.15 1.43 -2.65 0.23 0.00 0.00 176.35 174.52