#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1dto n MET 1 N 0.00 -0.38 0.05 -0.41 0.00 -1.26 0.30 117.12 115.42 1dto n MET 1 Ca 0.00 1.44 -0.11 0.00 -0.00 0.00 0.00 57.70 59.03 1dto n MET 1 Cb 0.00 -2.12 -0.05 0.00 0.00 0.00 0.00 33.22 31.05 1dto n MET 1 CO 0.00 0.00 0.00 0.93 0.00 0.00 0.00 175.97 176.90 1dto h GLU 2 N 0.00 -0.14 -0.33 2.12 5.08 -2.05 0.16 114.58 119.42 1dto h GLU 2 Ca 0.14 0.01 0.06 0.00 -1.00 0.00 0.00 59.36 58.57 1dto h GLU 2 Cb 0.35 0.03 -0.05 0.00 0.50 0.00 0.00 28.75 29.58 1dto h GLU 2 CO -0.81 -0.09 -0.01 1.15 -1.00 0.00 0.00 179.01 178.25 1dto h THR 3 N -0.14 0.75 -0.47 1.13 2.02 -1.19 0.13 112.91 115.13 1dto h THR 3 Ca 0.03 -0.03 -0.01 0.00 0.77 0.00 0.00 66.41 67.17 1dto h THR 3 Cb 0.19 0.66 -0.02 0.00 -1.74 0.00 0.00 68.15 67.23 1dto h THR 3 CO -0.09 0.02 0.24 -0.07 0.37 0.00 0.00 175.52 175.98 1dto h LEU 4 N 0.08 0.61 -0.35 2.58 3.38 0.49 -1.18 115.31 120.92 1dto h LEU 4 Ca 0.16 -0.12 0.03 0.00 0.09 0.00 0.00 57.88 58.04 1dto h LEU 4 Cb 0.22 -0.16 -0.03 0.00 0.09 0.00 0.00 40.66 40.78 1dto h LEU 4 CO -0.28 0.55 0.16 0.00 0.09 0.00 0.00 178.44 178.97 1dto h GLN 6 N 0.34 0.69 -0.26 0.00 4.20 -0.59 -0.76 115.11 118.73 1dto h GLN 6 Ca 0.15 -0.18 0.00 0.00 0.06 0.00 0.00 58.65 58.68 1dto h GLN 6 Cb 0.08 -0.08 -0.01 0.00 0.30 0.00 0.00 27.48 27.76 1dto h GLN 6 CO -0.12 0.73 0.17 0.00 -0.67 0.00 0.00 178.83 178.94 1dto h ARG 7 N 0.55 0.34 -0.45 1.46 2.47 -0.99 -1.12 114.38 116.64 1dto h ARG 7 Ca 0.13 -0.02 -0.01 0.00 -1.26 0.00 0.00 59.98 58.82 1dto h ARG 7 Cb 0.37 -0.08 -0.02 0.00 -1.65 0.00 0.00 29.97 28.59 1dto h ARG 7 CO 0.01 0.22 0.24 1.25 0.56 0.00 0.00 179.97 182.26 1dto h LEU 8 N 0.35 0.57 -0.42 3.04 5.85 -0.62 0.19 115.31 124.26 1dto h LEU 8 Ca 0.09 -0.09 0.07 0.00 0.84 0.00 0.00 57.88 58.79 1dto h LEU 8 Cb -0.04 -0.15 -0.06 0.00 0.37 0.00 0.00 40.66 40.78 1dto h LEU 8 CO -0.02 0.50 0.06 0.78 -0.34 0.00 0.00 178.44 179.42 1dto h ASN 9 N 0.59 -0.04 -0.44 1.25 4.21 -1.10 0.77 115.58 120.84 1dto h ASN 9 Ca 0.16 0.08 -0.08 0.00 1.21 0.00 0.00 56.30 57.67 1dto h ASN 9 Cb 0.06 0.12 -0.01 0.00 -1.12 0.00 0.00 38.32 37.36 1dto h ASN 9 CO -0.02 0.01 -0.03 0.58 -1.29 0.00 0.00 177.43 176.68 1dto h VAL 10 N 0.19 1.27 -0.39 2.81 2.07 -0.94 -1.47 116.25 119.78 1dto h VAL 10 Ca 0.21 -1.09 -0.01 0.00 0.82 0.00 0.00 66.70 66.63 1dto h VAL 10 Cb 0.27 1.10 -0.02 0.00 -1.52 0.00 0.00 31.29 31.12 1dto h VAL 10 CO -0.29 0.37 0.22 0.00 0.02 0.00 0.00 177.57 177.89 1dto h GLN 12 N 0.51 0.00 -0.20 0.00 4.20 0.62 -2.33 115.11 117.91 1dto h GLN 12 Ca 0.14 0.00 -0.20 0.00 0.06 0.00 0.00 58.65 58.65 1dto h GLN 12 Cb 0.04 0.00 0.00 0.00 0.30 0.00 0.00 27.48 27.82 1dto h GLN 12 CO -0.02 0.35 -0.67 -0.44 -0.67 0.00 0.00 178.83 177.38 1dto h ASP 13 N 0.00 0.88 -0.49 1.46 5.19 -1.07 -2.22 116.42 120.16 1dto h ASP 13 Ca -0.00 -0.53 -0.03 0.00 -0.62 0.00 0.00 57.03 55.85 1dto h ASP 13 Cb 0.80 -0.26 -0.02 0.00 0.18 0.00 0.00 39.33 40.03 1dto h ASP 13 CO 0.05 1.31 0.20 0.11 -3.12 0.00 0.00 179.24 177.79 1dto h LYS 14 N 0.55 0.74 -0.20 3.56 1.79 -1.01 0.18 116.57 122.18 1dto h LYS 14 Ca -0.02 -0.13 0.01 0.00 -2.18 0.00 0.00 60.65 58.33 1dto h LYS 14 Cb 1.28 -0.12 -0.02 0.00 -1.58 0.00 0.00 32.23 31.79 1dto h LYS 14 CO 0.14 0.66 0.10 0.82 -1.08 0.00 0.00 179.45 180.08 1dto h ILE 15 N 0.66 1.00 -0.80 1.86 2.04 -1.35 -1.11 117.51 119.80 1dto h ILE 15 Ca 0.16 -0.07 -0.01 0.00 1.00 0.00 0.00 64.86 65.94 1dto h ILE 15 Cb 0.19 0.77 -0.04 0.00 -0.74 0.00 0.00 36.82 37.00 1dto h ILE 15 CO -0.01 0.04 0.46 -0.07 0.00 0.00 0.00 178.15 178.57 1dto h LEU 16 N 0.21 0.98 -1.02 1.44 3.38 -1.21 -1.53 115.31 117.56 1dto h LEU 16 Ca 0.08 -0.08 0.02 0.00 0.09 0.00 0.00 57.88 57.99 1dto h LEU 16 Cb 0.01 -0.25 -0.05 0.00 0.09 0.00 0.00 40.66 40.46 1dto h LEU 16 CO -0.05 0.78 0.66 0.74 0.09 0.00 0.00 178.44 180.66 1dto h THR 17 N 1.10 1.22 -0.54 0.22 2.02 -0.59 0.11 112.91 116.45 1dto h THR 17 Ca 0.28 -0.45 -0.02 0.00 0.77 0.00 0.00 66.41 66.99 1dto h THR 17 Cb -0.01 -0.21 -0.02 0.00 -1.74 0.00 0.00 68.15 66.17 1dto h THR 17 CO -0.05 0.24 0.26 0.45 0.37 0.00 0.00 175.52 176.79 1dto h HIS 18 N 1.31 0.77 -0.16 3.16 3.86 -0.67 -1.61 115.15 121.82 1dto h HIS 18 Ca 0.38 -0.04 0.02 0.00 -1.16 0.00 0.00 60.37 59.57 1dto h HIS 18 Cb -0.08 -0.24 -0.02 0.00 1.06 0.00 0.00 27.41 28.13 1dto h HIS 18 CO -0.00 0.60 0.03 1.88 0.86 0.00 0.00 177.93 181.30 1dto h TYR 19 N 0.72 0.05 -0.14 2.45 0.05 -0.35 -2.28 116.97 117.47 1dto h TYR 19 Ca 0.18 0.01 0.04 0.00 0.05 0.00 0.00 58.73 59.01 1dto h TYR 19 Cb 0.12 0.00 -0.04 0.00 1.01 0.00 0.00 36.73 37.82 1dto h TYR 19 CO -0.00 0.01 -0.09 0.93 -1.05 0.00 0.00 178.16 177.96 1dto h GLU 20 N 0.09 -0.09 -0.47 4.88 5.08 -0.81 -3.25 114.58 120.01 1dto h GLU 20 Ca 0.07 0.01 -0.09 0.00 -1.00 0.00 0.00 59.36 58.35 1dto h GLU 20 Cb 0.06 0.02 -0.02 0.00 0.50 0.00 0.00 28.75 29.32 1dto h GLU 20 CO -0.10 -0.06 -0.06 -0.91 -1.00 0.00 0.00 179.01 176.89 1dto h ASN 21 N -0.09 0.80 -5.72 1.42 2.35 -1.09 -3.47 115.58 109.77 1dto h ASN 21 Ca 0.09 -0.22 -0.35 0.00 -0.55 0.00 0.00 56.30 55.26 1dto h ASN 21 Cb 0.22 -0.21 0.16 0.00 0.05 0.00 0.00 38.32 38.53 1dto h ASN 21 CO -0.20 0.90 -0.75 -0.67 -1.65 0.00 0.00 177.43 175.06 1dto n ASP 22 N -4.18 -2.99 -4.76 5.81 -0.08 -0.88 -4.94 116.55 104.52 1dto n ASP 22 Ca 0.02 -0.61 -0.30 0.00 -1.51 0.00 0.00 54.79 52.38 1dto n ASP 22 Cb 0.34 -5.05 0.10 0.00 2.34 0.00 0.00 41.12 38.85 1dto n ASP 22 CO 0.00 0.00 0.00 -0.55 0.12 0.00 0.00 177.20 176.77 1dto s SER 23 N -4.12 4.27 0.00 1.67 0.15 -1.26 -4.90 113.70 109.51 1dto s SER 23 Ca 0.14 1.61 0.01 0.00 0.70 0.00 0.00 55.95 58.41 1dto s SER 23 Cb -0.06 -2.33 0.03 0.00 -1.71 0.00 0.00 66.02 61.95 1dto s SER 23 CO 0.73 -2.15 0.99 0.35 1.20 0.00 0.00 173.24 174.37 1dto n THR 24 N -3.58 0.93 -3.37 6.45 -2.24 -1.25 -4.24 114.28 106.98 1dto n THR 24 Ca 0.08 -0.96 -0.39 0.00 -2.27 0.00 0.00 64.05 60.51 1dto n THR 24 Cb 0.54 0.54 -0.09 0.00 -2.10 0.00 0.00 70.33 69.22 1dto n THR 24 CO 0.00 0.00 0.00 -1.81 -0.57 0.00 0.00 175.07 172.69 1dto s ASP 25 N -0.93 6.29 0.25 3.42 1.01 -1.26 -1.73 116.67 123.72 1dto s ASP 25 Ca 0.03 0.34 -0.04 0.00 0.71 0.00 0.00 52.55 53.59 1dto s ASP 25 Cb 0.01 -2.22 0.46 0.00 1.01 0.00 0.00 42.92 42.18 1dto s ASP 25 CO 0.02 -0.19 1.75 0.25 0.21 0.00 0.00 175.17 177.21 1dto h LEU 26 N 8.57 0.39 -0.88 1.23 5.85 -1.84 -1.70 115.31 126.92 1dto h LEU 26 Ca -0.31 0.09 0.23 0.00 0.84 0.00 0.00 57.88 58.73 1dto h LEU 26 Cb 1.16 0.04 -0.15 0.00 0.37 0.00 0.00 40.66 42.08 1dto h LEU 26 CO 0.66 0.17 0.11 0.03 -0.34 0.00 0.00 178.44 179.06 1dto h ARG 27 N 0.53 0.11 -0.27 1.25 3.08 -1.94 -0.47 114.38 116.67 1dto h ARG 27 Ca 0.42 -0.01 -0.06 0.00 0.07 0.00 0.00 59.98 60.40 1dto h ARG 27 Cb 0.59 -0.02 -0.02 0.00 0.08 0.00 0.00 29.97 30.60 1dto h ARG 27 CO -0.37 0.07 -0.11 -0.44 -1.07 0.00 0.00 179.97 178.05 1dto h ASP 28 N 0.11 0.43 -0.10 7.04 3.45 -1.73 -2.90 116.42 122.71 1dto h ASP 28 Ca 0.53 -0.10 -0.14 0.00 0.43 0.00 0.00 57.03 57.75 1dto h ASP 28 Cb 1.06 -0.11 -0.01 0.00 -0.56 0.00 0.00 39.33 39.71 1dto h ASP 28 CO -0.75 0.57 -0.40 0.45 -1.57 0.00 0.00 179.24 177.54 1dto h HIS 29 N 0.42 0.75 -0.39 4.55 3.86 -1.07 -1.68 115.15 121.58 1dto h HIS 29 Ca 0.08 -0.22 0.07 0.00 -1.16 0.00 0.00 60.37 59.14 1dto h HIS 29 Cb 0.45 -0.16 -0.06 0.00 1.06 0.00 0.00 27.41 28.70 1dto h HIS 29 CO 0.01 0.93 0.04 0.82 0.86 0.00 0.00 177.93 180.59 1dto h ILE 30 N 0.51 0.75 -0.49 2.45 2.04 -1.27 -2.10 117.51 119.41 1dto h ILE 30 Ca 0.04 -0.05 -0.11 0.00 1.00 0.00 0.00 64.86 65.74 1dto h ILE 30 Cb 0.92 0.58 -0.02 0.00 -0.74 0.00 0.00 36.82 37.57 1dto h ILE 30 CO 0.08 0.03 -0.15 -0.78 0.00 0.00 0.00 178.15 177.33 1dto h ASP 31 N 0.16 0.94 0.35 1.72 1.82 -1.30 -1.42 116.42 118.68 1dto h ASP 31 Ca 0.19 -0.32 -0.01 0.00 -0.39 0.00 0.00 57.03 56.51 1dto h ASP 31 Cb 0.25 -0.26 -0.01 0.00 0.68 0.00 0.00 39.33 39.99 1dto h ASP 31 CO -0.28 1.08 -0.28 0.22 -1.61 0.00 0.00 179.24 178.37 1dto h TYR 32 N 0.83 -0.73 -0.18 0.28 3.20 -1.12 -0.89 116.97 118.35 1dto h TYR 32 Ca 0.12 -0.00 -0.03 0.00 3.14 0.00 0.00 58.73 61.97 1dto h TYR 32 Cb 0.69 0.27 -0.01 0.00 1.54 0.00 0.00 36.73 39.22 1dto h TYR 32 CO 0.04 -0.41 -0.01 -1.49 -1.64 0.00 0.00 178.16 174.65 1dto h TRP 33 N -0.63 0.27 -0.86 -3.82 4.06 -1.24 0.21 115.95 113.95 1dto h TRP 33 Ca -0.03 -0.01 -0.03 0.00 2.06 0.00 0.00 58.89 60.88 1dto h TRP 33 Cb 0.55 -0.08 -0.04 0.00 -1.00 0.00 0.00 29.16 28.59 1dto h TRP 33 CO -0.14 0.29 0.44 0.87 -3.56 0.00 0.00 178.44 176.34 1dto h LYS 34 N 0.26 1.22 -0.29 0.49 1.57 -1.07 -0.69 116.57 118.06 1dto h LYS 34 Ca 0.06 -0.16 -0.11 0.00 -1.87 0.00 0.00 60.65 58.57 1dto h LYS 34 Cb 0.20 -0.23 -0.01 0.00 0.08 0.00 0.00 32.23 32.27 1dto h LYS 34 CO 0.01 0.92 -0.26 0.45 -0.57 0.00 0.00 179.45 179.99 1dto h HIS 35 N 1.21 0.65 -0.81 -1.35 3.86 -0.32 -1.00 115.15 117.39 1dto h HIS 35 Ca 0.30 -0.15 -0.01 0.00 -1.16 0.00 0.00 60.37 59.36 1dto h HIS 35 Cb 0.08 -0.16 -0.04 0.00 1.06 0.00 0.00 27.41 28.35 1dto h HIS 35 CO 0.01 0.78 0.48 0.52 0.86 0.00 0.00 177.93 180.59 1dto h MET 36 N 0.50 1.11 -0.44 2.45 2.86 -0.20 -0.73 114.93 120.48 1dto h MET 36 Ca 0.07 -0.11 -0.04 0.00 -2.06 0.00 0.00 59.70 57.56 1dto h MET 36 Cb 0.71 -0.23 -0.02 0.00 0.06 0.00 0.00 31.60 32.13 1dto h MET 36 CO 0.05 0.79 0.10 -0.09 1.06 0.00 0.00 176.91 178.82 1dto h ARG 37 N 1.12 0.71 -0.92 1.72 2.43 -0.88 -3.03 114.38 115.53 1dto h ARG 37 Ca 0.29 -0.17 0.01 0.00 -0.81 0.00 0.00 59.98 59.30 1dto h ARG 37 Cb -0.03 -0.09 -0.05 0.00 -0.42 0.00 0.00 29.97 29.38 1dto h ARG 37 CO -0.05 0.71 0.61 1.25 -1.51 0.00 0.00 179.97 180.98 1dto h LEU 38 N 0.58 1.05 -0.97 3.80 5.85 -0.94 -2.04 115.31 122.64 1dto h LEU 38 Ca 0.14 -0.03 0.13 0.00 0.84 0.00 0.00 57.88 58.96 1dto h LEU 38 Cb 0.33 -0.26 -0.09 0.00 0.37 0.00 0.00 40.66 41.01 1dto h LEU 38 CO 0.00 0.76 0.60 -0.08 -0.34 0.00 0.00 178.44 179.38 1dto h GLU 39 N 1.24 0.89 -0.64 1.25 4.81 -1.02 -0.94 114.58 120.16 1dto h GLU 39 Ca 0.34 -0.05 -0.05 0.00 -0.13 0.00 0.00 59.36 59.46 1dto h GLU 39 Cb -0.14 -0.20 -0.03 0.00 0.63 0.00 0.00 28.75 29.01 1dto h GLU 39 CO -0.07 0.59 0.20 0.00 -0.73 0.00 0.00 179.01 179.00 1dto h ALA 41 N 1.28 1.14 -0.12 0.00 0.00 -0.86 0.18 119.26 120.88 1dto h ALA 41 Ca 0.21 -0.31 -0.03 0.00 0.00 0.00 0.00 54.91 54.79 1dto h ALA 41 Cb 0.26 -0.14 -0.00 0.00 0.00 0.00 0.00 17.79 17.91 1dto h ALA 41 CO -0.01 0.54 -0.03 0.82 0.00 0.00 0.00 179.25 180.57 1dto h ILE 42 N 0.49 1.29 -0.45 0.00 2.04 -0.86 -1.10 117.51 118.92 1dto h ILE 42 Ca 0.08 -0.95 -0.06 0.00 1.00 0.00 0.00 64.86 64.93 1dto h ILE 42 Cb 0.58 1.67 -0.02 0.00 -0.74 0.00 0.00 36.82 38.31 1dto h ILE 42 CO 0.04 0.27 0.02 1.88 0.00 0.00 0.00 178.15 180.36 1dto h TYR 43 N -0.08 0.75 -0.41 1.37 0.99 -1.18 -0.21 116.97 118.20 1dto h TYR 43 Ca 0.03 -0.09 -0.02 0.00 2.00 0.00 0.00 58.73 60.65 1dto h TYR 43 Cb 0.44 -0.21 -0.02 0.00 1.00 0.00 0.00 36.73 37.94 1dto h TYR 43 CO 0.05 0.69 0.19 -0.92 -0.00 0.00 0.00 178.16 178.17 1dto h TYR 44 N 0.68 0.61 -0.59 4.88 5.03 -0.39 -0.62 116.97 126.56 1dto h TYR 44 Ca 0.14 -0.04 -0.06 0.00 2.58 0.00 0.00 58.73 61.36 1dto h TYR 44 Cb 0.39 -0.19 -0.02 0.00 1.55 0.00 0.00 36.73 38.46 1dto h TYR 44 CO 0.02 0.51 0.15 -0.22 -1.32 0.00 0.00 178.16 177.30 1dto h LYS 45 N 0.52 0.95 -0.47 1.82 1.63 -0.86 -0.18 116.57 119.98 1dto h LYS 45 Ca 0.14 -0.23 0.03 0.00 -0.85 0.00 0.00 60.65 59.74 1dto h LYS 45 Cb 0.14 -0.13 -0.03 0.00 -0.60 0.00 0.00 32.23 31.62 1dto h LYS 45 CO -0.02 0.87 0.27 0.00 -3.45 0.00 0.00 179.45 177.13 1dto h ALA 46 N 1.04 0.60 -0.72 5.00 0.00 -0.77 0.13 119.26 124.54 1dto h ALA 46 Ca 0.19 -0.00 -0.05 0.00 0.00 0.00 0.00 54.91 55.04 1dto h ALA 46 Cb 0.35 -0.12 -0.03 0.00 0.00 0.00 0.00 17.79 17.99 1dto h ALA 46 CO 0.00 -0.04 0.24 -0.09 0.00 0.00 0.00 179.25 179.36 1dto h ARG 47 N 0.55 1.11 -0.87 0.00 9.65 -0.73 -1.66 114.38 122.42 1dto h ARG 47 Ca 0.19 -0.23 0.01 0.00 -1.10 0.00 0.00 59.98 58.85 1dto h ARG 47 Cb 0.04 -0.16 -0.04 0.00 -1.39 0.00 0.00 29.97 28.41 1dto h ARG 47 CO -0.10 0.94 0.57 0.93 2.80 0.00 0.00 179.97 185.12 1dto h GLU 48 N 1.06 1.13 0.00 0.20 5.08 -0.15 -1.93 114.58 119.96 1dto h GLU 48 Ca 0.23 -0.07 0.00 0.00 -1.00 0.00 0.00 59.36 58.53 1dto h GLU 48 Cb 0.29 -0.25 0.00 0.00 0.50 0.00 0.00 28.75 29.28 1dto h GLU 48 CO -0.01 0.75 0.00 -1.33 -1.00 0.00 0.00 179.01 177.42 1dto n MET 49 N -4.49 0.45 -0.50 2.33 2.81 -0.05 -4.88 117.12 112.79 1dto n MET 49 Ca 0.10 0.05 0.00 0.00 -1.81 0.00 0.00 57.70 56.03 1dto n MET 49 Cb 0.03 -1.50 0.00 0.00 -0.71 0.00 0.00 33.22 31.04 1dto n MET 49 CO 0.00 0.00 0.00 0.41 1.51 0.00 0.00 175.97 177.89 1dto n GLY 50 N 0.22 0.73 3.74 3.03 0.00 -0.72 -5.05 105.19 107.14 1dto n GLY 50 Ca 0.12 -0.21 -0.40 0.00 0.00 0.00 0.00 46.02 45.53 1dto n GLY 50 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 1dto s PHE 51 N -2.00 3.84 -0.25 1.61 0.08 -0.65 -4.94 117.98 115.67 1dto s PHE 51 Ca 0.00 1.72 0.22 0.00 0.12 0.00 0.00 56.93 58.99 1dto s PHE 51 Cb 0.00 -2.94 -0.28 0.00 -0.57 0.00 0.00 43.02 39.23 1dto s PHE 51 CO 0.00 0.31 0.62 1.63 -0.10 0.00 0.00 175.22 177.68 1dto n LYS 52 N 2.38 0.52 -3.85 0.44 5.02 -1.26 -4.34 118.16 117.07 1dto n LYS 52 Ca -0.01 -0.13 -0.11 0.00 -2.02 0.00 0.00 58.31 56.04 1dto n LYS 52 Cb 0.49 -1.54 -0.09 0.00 -0.02 0.00 0.00 35.03 33.87 1dto n LYS 52 CO 0.00 0.00 0.00 -3.38 -0.52 0.00 0.00 177.40 173.50 1dto s HIS 53 N -3.40 0.02 -0.18 2.13 -3.43 -1.26 -1.49 115.29 107.68 1dto s HIS 53 Ca -0.04 -0.14 0.00 0.00 -0.80 0.00 0.00 55.06 54.08 1dto s HIS 53 Cb 0.14 -0.02 0.04 0.00 -1.43 0.00 0.00 32.58 31.30 1dto s HIS 53 CO 0.89 -0.36 -0.11 -1.50 -2.00 0.00 0.00 174.74 171.66 1dto s ILE 54 N -1.90 1.54 -1.52 -5.38 2.07 -0.41 -4.73 121.20 110.88 1dto s ILE 54 Ca -0.10 -0.82 -0.06 0.00 -1.41 0.00 0.00 60.65 58.26 1dto s ILE 54 Cb -0.04 -1.57 0.01 0.00 0.13 0.00 0.00 42.46 40.99 1dto s ILE 54 CO -0.00 0.27 0.71 0.59 -1.91 0.00 0.00 174.94 174.59 1dto n ASN 55 N 4.74 -6.05 -0.90 4.50 3.02 -1.26 -1.71 115.26 117.60 1dto n ASN 55 Ca -0.15 -0.34 -0.12 0.00 -0.03 0.00 0.00 54.58 53.94 1dto n ASN 55 Cb 0.48 -4.87 -0.05 0.00 -0.61 0.00 0.00 39.78 34.73 1dto n ASN 55 CO 0.00 0.00 0.00 1.41 -2.62 0.00 0.00 177.26 176.05 1dto n HIS 56 N -4.58 0.00 -4.13 3.10 8.25 -1.26 -5.01 115.22 111.58 1dto n HIS 56 Ca -0.09 0.00 -0.35 0.00 -0.26 0.00 0.00 57.72 57.02 1dto n HIS 56 Cb 0.61 -2.30 -0.09 0.00 1.12 0.00 0.00 29.99 29.33 1dto n HIS 56 CO 0.00 0.00 0.00 -1.14 0.64 0.00 0.00 176.34 175.84 1dto s GLN 57 N -2.89 3.39 0.29 -0.41 0.74 -0.70 -5.04 119.66 115.04 1dto s GLN 57 Ca 0.00 -0.31 -0.29 0.00 0.05 0.00 0.00 55.36 54.81 1dto s GLN 57 Cb 0.00 -3.02 -0.10 0.00 1.10 0.00 0.00 33.01 30.99 1dto s GLN 57 CO 0.00 0.61 1.45 0.54 -0.55 0.00 0.00 175.29 177.34 1dto s VAL 58 N -0.59 2.46 -0.24 1.34 0.11 -1.26 -1.29 120.40 120.93 1dto s VAL 58 Ca 0.11 0.41 -0.16 0.00 -2.93 0.00 0.00 61.98 59.41 1dto s VAL 58 Cb -0.12 -3.26 -0.04 0.00 -1.53 0.00 0.00 36.38 31.44 1dto s VAL 58 CO 0.02 0.08 0.41 -0.69 -3.33 0.00 0.00 175.10 171.59 1dto s VAL 59 N -0.40 5.16 0.77 2.04 1.01 -0.56 -4.79 120.40 123.64 1dto s VAL 59 Ca 0.57 0.69 -0.11 0.00 0.00 0.00 0.00 61.98 63.13 1dto s VAL 59 Cb -0.43 -3.74 0.06 0.00 0.00 0.00 0.00 36.38 32.26 1dto s VAL 59 CO 0.49 0.18 1.10 -2.84 0.00 0.00 0.00 175.10 174.03 1dto s PRO 60 N 1.79 2.24 0.85 2.72 0.02 -1.26 -4.86 135.00 136.49 1dto s PRO 60 Ca 0.18 1.23 -0.13 0.00 0.02 0.00 0.00 61.00 62.30 1dto s PRO 60 Cb -0.15 -1.89 0.05 0.00 0.02 0.00 0.00 34.50 32.53 1dto s PRO 60 CO 0.09 -1.66 0.82 0.25 -0.33 0.00 0.00 177.00 176.17 1dto n THR 61 N -3.42 1.11 -0.29 0.99 -2.24 -1.26 -4.80 114.28 104.36 1dto n THR 61 Ca 0.09 -0.21 0.03 0.00 -2.27 0.00 0.00 64.05 61.69 1dto n THR 61 Cb 0.53 -0.91 0.17 0.00 -2.10 0.00 0.00 70.33 68.02 1dto n THR 61 CO 0.00 0.00 0.00 -0.07 -0.57 0.00 0.00 175.07 174.43 1dto h LEU 62 N -1.12 0.68 -0.80 3.22 3.38 -1.93 -2.20 115.31 116.53 1dto h LEU 62 Ca -0.45 0.05 -0.08 0.00 0.09 0.00 0.00 57.88 57.49 1dto h LEU 62 Cb 1.30 -0.08 -0.02 0.00 0.09 0.00 0.00 40.66 41.94 1dto h LEU 62 CO 0.41 0.39 0.00 0.00 0.09 0.00 0.00 178.44 179.33 1dto h ALA 63 N 1.46 1.00 -0.23 1.53 0.00 -1.99 0.12 119.26 121.14 1dto h ALA 63 Ca 0.40 -0.28 -0.01 0.00 0.00 0.00 0.00 54.91 55.02 1dto h ALA 63 Cb 0.36 -0.21 -0.01 0.00 0.00 0.00 0.00 17.79 17.93 1dto h ALA 63 CO -0.25 0.62 0.11 0.28 0.00 0.00 0.00 179.25 180.01 1dto h VAL 64 N 0.84 1.14 -0.51 0.00 2.07 -1.77 -1.25 116.25 116.77 1dto h VAL 64 Ca 0.16 -0.39 -0.05 0.00 0.82 0.00 0.00 66.70 67.24 1dto h VAL 64 Cb 0.50 0.97 -0.02 0.00 -1.52 0.00 0.00 31.29 31.21 1dto h VAL 64 CO 0.02 0.13 0.09 0.28 0.02 0.00 0.00 177.57 178.12 1dto h SER 65 N 0.25 0.74 -0.32 0.57 0.02 -1.14 -1.50 113.55 112.17 1dto h SER 65 Ca 0.08 -0.14 -0.01 0.00 -0.84 0.00 0.00 61.79 60.88 1dto h SER 65 Cb 0.11 -0.19 -0.01 0.00 0.14 0.00 0.00 62.40 62.44 1dto h SER 65 CO -0.01 0.75 0.16 0.11 -1.14 0.00 0.00 176.83 176.70 1dto h LYS 66 N 0.76 0.45 -0.53 3.45 1.57 -0.58 -1.51 116.57 120.18 1dto h LYS 66 Ca 0.16 -0.06 -0.02 0.00 -1.87 0.00 0.00 60.65 58.86 1dto h LYS 66 Cb 0.32 -0.08 -0.02 0.00 0.08 0.00 0.00 32.23 32.53 1dto h LYS 66 CO 0.00 0.41 0.25 -0.97 -0.57 0.00 0.00 179.45 178.58 1dto h ASN 67 N 0.38 0.70 -0.37 0.86 -0.73 -1.03 -1.74 115.58 113.65 1dto h ASN 67 Ca 0.11 -0.13 -0.06 0.00 1.87 0.00 0.00 56.30 58.09 1dto h ASN 67 Cb 0.11 -0.18 -0.02 0.00 0.27 0.00 0.00 38.32 38.50 1dto h ASN 67 CO -0.01 0.63 0.05 0.11 -0.37 0.00 0.00 177.43 177.84 1dto h LYS 68 N 0.71 0.70 -0.50 6.67 1.57 -1.21 -2.51 116.57 122.00 1dto h LYS 68 Ca 0.18 -0.16 -0.10 0.00 -1.87 0.00 0.00 60.65 58.70 1dto h LYS 68 Cb 0.12 -0.10 -0.02 0.00 0.08 0.00 0.00 32.23 32.31 1dto h LYS 68 CO -0.02 0.68 -0.10 0.00 -0.57 0.00 0.00 179.45 179.44 1dto h ALA 69 N 1.39 0.89 -0.75 3.86 0.00 -1.01 -0.75 119.26 122.89 1dto h ALA 69 Ca 0.14 -0.33 0.07 0.00 0.00 0.00 0.00 54.91 54.80 1dto h ALA 69 Cb 0.34 -0.19 -0.06 0.00 0.00 0.00 0.00 17.79 17.88 1dto h ALA 69 CO 0.01 0.64 0.42 -0.07 0.00 0.00 0.00 179.25 180.25 1dto h LEU 70 N 0.82 0.61 -0.28 0.00 3.38 -1.14 0.26 115.31 118.96 1dto h LEU 70 Ca 0.14 0.04 -0.03 0.00 0.09 0.00 0.00 57.88 58.12 1dto h LEU 70 Cb 0.62 -0.08 -0.01 0.00 0.09 0.00 0.00 40.66 41.28 1dto h LEU 70 CO 0.04 0.38 0.07 1.56 0.09 0.00 0.00 178.44 180.58 1dto h GLN 71 N 0.74 0.45 -0.60 1.13 4.20 -1.16 -0.45 115.11 119.42 1dto h GLN 71 Ca 0.35 -0.11 -0.00 0.00 0.06 0.00 0.00 58.65 58.95 1dto h GLN 71 Cb 0.26 -0.06 -0.03 0.00 0.30 0.00 0.00 27.48 27.96 1dto h GLN 71 CO -0.21 0.53 0.36 0.00 -0.67 0.00 0.00 178.83 178.84 1dto h ALA 72 N 0.90 0.76 -0.63 3.87 0.00 -0.72 -2.09 119.26 121.35 1dto h ALA 72 Ca 0.09 -0.07 0.04 0.00 0.00 0.00 0.00 54.91 54.97 1dto h ALA 72 Cb 0.28 -0.24 -0.05 0.00 0.00 0.00 0.00 17.79 17.78 1dto h ALA 72 CO 0.00 0.24 0.37 0.82 0.00 0.00 0.00 179.25 180.68 1dto h ILE 73 N 0.81 1.01 -0.86 0.00 2.04 -0.26 0.25 117.51 120.50 1dto h ILE 73 Ca 0.21 -0.24 0.00 0.00 1.00 0.00 0.00 64.86 65.84 1dto h ILE 73 Cb -0.02 0.26 -0.04 0.00 -0.74 0.00 0.00 36.82 36.27 1dto h ILE 73 CO -0.04 0.13 0.54 -0.33 0.00 0.00 0.00 178.15 178.45 1dto h GLU 74 N 0.70 1.15 -0.03 2.37 4.39 -0.55 0.01 114.58 122.61 1dto h GLU 74 Ca 0.27 -0.09 -0.01 0.00 0.34 0.00 0.00 59.36 59.87 1dto h GLU 74 Cb 0.11 -0.25 -0.00 0.00 -0.10 0.00 0.00 28.75 28.51 1dto h GLU 74 CO -0.15 0.79 -0.03 -0.07 -1.16 0.00 0.00 179.01 178.39 1dto h LEU 75 N 1.17 0.08 -0.30 1.33 -0.00 -1.17 -1.35 115.31 115.08 1dto h LEU 75 Ca 0.31 -0.47 0.07 0.00 -0.00 0.00 0.00 57.88 57.79 1dto h LEU 75 Cb -0.08 -0.02 -0.07 0.00 -0.00 0.00 0.00 40.66 40.48 1dto h LEU 75 CO -0.06 0.54 -0.21 -0.61 -0.00 0.00 0.00 178.44 178.10 1dto h GLN 76 N -0.37 -0.18 -0.59 1.13 4.15 -0.30 -1.62 115.11 117.33 1dto h GLN 76 Ca 0.01 0.01 0.04 0.00 0.77 0.00 0.00 58.65 59.48 1dto h GLN 76 Cb 0.52 0.04 -0.04 0.00 0.21 0.00 0.00 27.48 28.20 1dto h GLN 76 CO 0.01 -0.12 0.34 -0.07 -1.93 0.00 0.00 178.83 177.06 1dto h LEU 77 N -0.19 0.53 -0.22 -2.39 3.38 -0.97 -1.08 115.31 114.37 1dto h LEU 77 Ca 0.16 0.02 0.03 0.00 0.09 0.00 0.00 57.88 58.18 1dto h LEU 77 Cb 0.43 -0.09 -0.03 0.00 0.09 0.00 0.00 40.66 41.05 1dto h LEU 77 CO -0.41 0.36 0.01 0.74 0.09 0.00 0.00 178.44 179.24 1dto h THR 78 N 0.66 0.86 -0.40 0.22 2.02 -0.86 -0.41 112.91 115.01 1dto h THR 78 Ca 0.25 -0.03 -0.06 0.00 0.77 0.00 0.00 66.41 67.34 1dto h THR 78 Cb 0.09 0.77 -0.02 0.00 -1.74 0.00 0.00 68.15 67.25 1dto h THR 78 CO -0.13 0.02 -0.01 -0.07 0.37 0.00 0.00 175.52 175.69 1dto h LEU 79 N 0.09 0.60 -0.87 2.58 3.38 -1.06 -0.49 115.31 119.54 1dto h LEU 79 Ca 0.10 -0.13 -0.09 0.00 0.09 0.00 0.00 57.88 57.86 1dto h LEU 79 Cb 0.12 -0.16 -0.02 0.00 0.09 0.00 0.00 40.66 40.69 1dto h LEU 79 CO -0.16 0.68 -0.10 -0.33 0.09 0.00 0.00 178.44 178.62 1dto h GLU 80 N 0.60 0.73 -0.55 1.13 5.08 -0.80 0.30 114.58 121.08 1dto h GLU 80 Ca 0.12 -0.23 -0.10 0.00 -1.00 0.00 0.00 59.36 58.15 1dto h GLU 80 Cb 0.39 -0.07 -0.02 0.00 0.50 0.00 0.00 28.75 29.55 1dto h GLU 80 CO 0.02 0.81 -0.06 1.15 -1.00 0.00 0.00 179.01 179.93 1dto h THR 81 N 0.67 1.26 -0.60 1.13 2.02 -0.39 -2.28 112.91 114.72 1dto h THR 81 Ca 0.12 -1.19 -0.10 0.00 0.77 0.00 0.00 66.41 66.01 1dto h THR 81 Cb 0.56 0.91 -0.02 0.00 -1.74 0.00 0.00 68.15 67.85 1dto h THR 81 CO 0.03 0.42 -0.01 0.40 0.37 0.00 0.00 175.52 176.74 1dto h ILE 82 N 0.89 1.27 -0.92 3.11 1.08 -0.79 -2.61 117.51 119.53 1dto h ILE 82 Ca 0.15 -1.16 0.12 0.00 -0.39 0.00 0.00 64.86 63.58 1dto h ILE 82 Cb 0.60 0.82 -0.07 0.00 -3.07 0.00 0.00 36.82 35.10 1dto h ILE 82 CO 0.04 0.42 0.59 0.22 -0.69 0.00 0.00 178.15 178.73 1dto h TYR 83 N 0.96 0.97 -0.03 1.37 3.20 -0.16 0.16 116.97 123.44 1dto h TYR 83 Ca 0.17 0.03 0.00 0.00 3.14 0.00 0.00 58.73 62.07 1dto h TYR 83 Cb 0.57 -0.31 0.00 0.00 1.54 0.00 0.00 36.73 38.53 1dto h TYR 83 CO 0.04 0.40 0.00 0.09 -1.64 0.00 0.00 178.16 177.05 1dto n ASN 84 N -4.57 0.42 -4.61 -2.11 3.02 -0.88 -4.67 115.26 101.87 1dto n ASN 84 Ca 0.17 -1.37 -0.21 0.00 -0.03 0.00 0.00 54.58 53.13 1dto n ASN 84 Cb 0.37 -0.02 0.02 0.00 -0.61 0.00 0.00 39.78 39.55 1dto n ASN 84 CO 0.00 0.00 0.00 -1.54 -2.62 0.00 0.00 177.26 173.10 1dto n SER 85 N -0.56 2.35 0.18 6.41 3.41 0.04 -4.99 113.62 120.45 1dto n SER 85 Ca 0.17 -2.60 0.14 0.00 -0.26 0.00 0.00 58.87 56.32 1dto n SER 85 Cb 0.15 -0.17 0.62 0.00 -0.26 0.00 0.00 64.21 64.55 1dto n SER 85 CO 0.00 0.00 0.00 0.06 -0.16 0.00 0.00 175.04 174.94 1dto h GLN 86 N 0.00 0.00 -0.01 4.33 3.07 -1.91 -2.16 115.11 118.43 1dto h GLN 86 Ca -0.29 0.00 0.00 0.00 0.09 0.00 0.00 58.65 58.45 1dto h GLN 86 Cb 1.15 0.00 0.00 0.00 0.08 0.00 0.00 27.48 28.71 1dto h GLN 86 CO 0.44 0.00 -0.06 0.66 0.09 0.00 0.00 178.83 179.96 1dto n TYR 87 N -2.46 0.00 -0.28 0.06 4.02 -1.26 -4.47 117.16 112.77 1dto n TYR 87 Ca 0.00 0.00 0.05 0.00 -0.01 0.00 0.00 57.90 57.94 1dto n TYR 87 Cb 0.17 -0.06 0.19 0.00 -0.02 0.00 0.00 39.34 39.63 1dto n TYR 87 CO 0.00 0.00 0.00 1.03 -1.01 0.00 0.00 176.86 176.88 1dto h SER 88 N 1.41 0.53 -0.22 7.72 0.87 -1.40 -2.19 113.55 120.27 1dto h SER 88 Ca 0.00 0.08 0.00 0.00 -1.23 0.00 0.00 61.79 60.64 1dto h SER 88 Cb 0.39 -0.01 0.00 0.00 -0.44 0.00 0.00 62.40 62.34 1dto h SER 88 CO 0.00 0.26 0.00 0.59 -0.53 0.00 0.00 176.83 177.15 1dto n ASN 89 N -4.85 1.56 -4.64 6.23 5.03 -1.26 -4.71 115.26 112.62 1dto n ASN 89 Ca 0.15 -2.08 -0.28 0.00 0.87 0.00 0.00 54.58 53.24 1dto n ASN 89 Cb 0.37 -0.26 0.19 0.00 -1.02 0.00 0.00 39.78 39.06 1dto n ASN 89 CO 0.00 0.00 0.00 -1.61 -1.83 0.00 0.00 177.26 173.82 1dto s GLU 90 N -1.65 0.11 0.23 3.52 2.02 -0.83 -5.01 118.70 117.09 1dto s GLU 90 Ca 0.16 0.53 -0.30 0.00 0.02 0.00 0.00 54.97 55.38 1dto s GLU 90 Cb 0.09 -1.70 -0.09 0.00 0.10 0.00 0.00 34.13 32.54 1dto s GLU 90 CO 0.09 -2.95 1.17 0.15 0.02 0.00 0.00 175.26 173.73 1dto s LYS 91 N -4.89 4.54 -0.07 1.61 1.02 -1.26 -4.74 119.74 115.95 1dto s LYS 91 Ca 0.66 1.88 -0.01 0.00 0.02 0.00 0.00 55.97 58.52 1dto s LYS 91 Cb -0.20 -3.21 0.03 0.00 -0.52 0.00 0.00 37.83 33.93 1dto s LYS 91 CO 0.59 0.02 -0.02 -1.58 -0.92 0.00 0.00 175.35 173.44 1dto s TRP 92 N -0.58 0.76 0.42 3.18 0.52 -0.70 -5.06 118.94 117.47 1dto s TRP 92 Ca 0.49 -0.23 0.04 0.00 0.02 0.00 0.00 56.10 56.42 1dto s TRP 92 Cb -0.33 -0.81 0.00 0.00 -1.15 0.00 0.00 33.47 31.19 1dto s TRP 92 CO 0.40 -0.31 0.60 0.95 0.02 0.00 0.00 176.95 178.61 1dto s THR 93 N 1.70 3.68 0.24 2.01 -4.23 -1.26 -3.92 115.64 113.86 1dto s THR 93 Ca 0.01 -0.77 -0.07 0.00 -1.18 0.00 0.00 61.69 59.68 1dto s THR 93 Cb -0.13 -3.31 0.23 0.00 1.34 0.00 0.00 72.50 70.63 1dto s THR 93 CO -0.04 -0.17 1.91 0.25 -0.54 0.00 0.00 174.62 176.02 1dto h LEU 94 N 0.55 1.09 -0.77 4.79 5.85 -1.91 -2.22 115.31 122.70 1dto h LEU 94 Ca -0.45 -0.04 -0.11 0.00 0.84 0.00 0.00 57.88 58.12 1dto h LEU 94 Cb 1.26 -0.27 -0.01 0.00 0.37 0.00 0.00 40.66 42.01 1dto h LEU 94 CO 0.53 0.80 -0.28 1.56 -0.34 0.00 0.00 178.44 180.72 1dto h GLN 95 N 1.28 0.63 -0.91 1.25 1.08 -1.96 -2.31 115.11 114.17 1dto h GLN 95 Ca 0.34 -0.26 0.13 0.00 -1.45 0.00 0.00 58.65 57.41 1dto h GLN 95 Cb -0.12 -0.02 -0.07 0.00 -0.05 0.00 0.00 27.48 27.21 1dto h GLN 95 CO -0.07 0.84 0.58 -0.44 -0.95 0.00 0.00 178.83 178.79 1dto h ASP 96 N 0.54 0.73 -0.49 1.46 3.32 -1.71 -2.55 116.42 117.72 1dto h ASP 96 Ca 0.07 0.04 0.00 0.00 0.02 0.00 0.00 57.03 57.16 1dto h ASP 96 Cb 0.75 -0.11 0.00 0.00 0.22 0.00 0.00 39.33 40.20 1dto h ASP 96 CO 0.06 0.38 0.00 1.33 -1.72 0.00 0.00 179.24 179.29 1dto n VAL 97 N -4.57 2.64 -2.18 -1.35 0.24 -1.00 -4.15 118.33 107.95 1dto n VAL 97 Ca 0.17 -1.55 -0.30 0.00 -2.04 0.00 0.00 64.34 60.62 1dto n VAL 97 Cb 0.42 -0.27 -0.00 0.00 -1.47 0.00 0.00 33.84 32.51 1dto n VAL 97 CO 0.00 0.00 0.00 -0.94 -2.14 0.00 0.00 176.83 173.75 1dto s SER 98 N -1.12 6.32 0.27 -1.34 1.04 -0.90 -4.94 113.70 113.03 1dto s SER 98 Ca 0.51 1.32 0.03 0.00 0.48 0.00 0.00 55.95 58.29 1dto s SER 98 Cb 0.40 -2.42 0.37 0.00 0.10 0.00 0.00 66.02 64.47 1dto s SER 98 CO 0.14 -0.73 1.68 0.25 0.98 0.00 0.00 173.24 175.56 1dto h LEU 99 N 0.11 0.45 0.03 2.42 5.85 -1.90 -1.75 115.31 120.51 1dto h LEU 99 Ca -0.45 -0.17 0.03 0.00 0.84 0.00 0.00 57.88 58.12 1dto h LEU 99 Cb 1.19 -0.12 -0.05 0.00 0.37 0.00 0.00 40.66 42.05 1dto h LEU 99 CO 0.62 0.76 -0.33 -0.08 -0.34 0.00 0.00 178.44 179.06 1dto h GLU 100 N 0.37 -0.48 -0.38 1.25 4.81 -1.93 -0.11 114.58 118.11 1dto h GLU 100 Ca 0.04 0.03 0.02 0.00 -0.13 0.00 0.00 59.36 59.32 1dto h GLU 100 Cb 0.77 0.11 -0.02 0.00 0.63 0.00 0.00 28.75 30.23 1dto h GLU 100 CO 0.06 -0.32 0.23 0.28 -0.73 0.00 0.00 179.01 178.53 1dto h VAL 101 N -0.50 1.05 -0.78 0.32 2.07 -1.79 -2.81 116.25 113.80 1dto h VAL 101 Ca 0.05 -0.16 0.06 0.00 0.82 0.00 0.00 66.70 67.47 1dto h VAL 101 Cb 0.57 0.54 -0.05 0.00 -1.52 0.00 0.00 31.29 30.84 1dto h VAL 101 CO -0.25 0.08 0.51 0.22 0.02 0.00 0.00 177.57 178.16 1dto h TYR 102 N 0.46 0.87 -0.01 1.57 3.20 -0.63 -0.12 116.97 122.31 1dto h TYR 102 Ca 0.15 0.02 0.00 0.00 3.14 0.00 0.00 58.73 62.04 1dto h TYR 102 Cb -0.00 -0.29 0.00 0.00 1.54 0.00 0.00 36.73 37.98 1dto h TYR 102 CO -0.07 0.47 -0.12 1.28 -1.64 0.00 0.00 178.16 178.08 1dto n LEU 103 N -4.48 1.50 -4.79 2.82 4.77 -0.12 -0.67 117.00 116.04 1dto n LEU 103 Ca 0.11 -0.48 -0.36 0.00 -0.03 0.00 0.00 56.01 55.26 1dto n LEU 103 Cb 0.20 -0.04 -0.05 0.00 -2.33 0.00 0.00 43.42 41.20 1dto n LEU 103 CO 0.34 0.26 0.69 -0.89 -1.33 0.00 0.00 177.39 176.46 1dto s THR 104 N -2.21 3.99 0.30 -5.08 2.01 -0.06 -4.53 115.64 110.07 1dto s THR 104 Ca 0.31 1.45 -0.30 0.00 0.31 0.00 0.00 61.69 63.46 1dto s THR 104 Cb 0.20 -3.71 -0.11 0.00 0.01 0.00 0.00 72.50 68.88 1dto s THR 104 CO 0.41 -0.06 1.58 0.00 -0.69 0.00 0.00 174.62 175.86 1dto s ALA 105 N -1.80 3.73 -0.08 7.40 0.00 -1.26 -3.14 121.76 126.61 1dto s ALA 105 Ca 0.58 1.57 -0.30 0.00 0.00 0.00 0.00 51.96 53.81 1dto s ALA 105 Cb -0.18 -3.64 -0.02 0.00 0.00 0.00 0.00 23.12 19.28 1dto s ALA 105 CO 0.23 -0.99 1.03 -1.25 0.00 0.00 0.00 175.76 174.78 1dto s PRO 106 N -0.61 4.43 0.66 0.00 0.04 -1.26 -4.96 135.00 133.31 1dto s PRO 106 Ca 0.62 1.43 -0.16 0.00 0.04 0.00 0.00 61.00 62.94 1dto s PRO 106 Cb -0.48 -3.53 0.00 0.00 0.04 0.00 0.00 34.50 30.54 1dto s PRO 106 CO 0.49 -0.29 1.15 -0.08 0.04 0.00 0.00 177.00 178.31 1dto s THR 107 N 1.88 2.89 -0.08 1.26 -1.32 -1.19 -3.69 115.64 115.39 1dto s THR 107 Ca 0.50 0.45 0.00 0.00 -1.21 0.00 0.00 61.69 61.42 1dto s THR 107 Cb -0.19 -3.00 0.00 0.00 -1.51 0.00 0.00 72.50 67.79 1dto s THR 107 CO 0.20 -0.23 0.00 0.61 -2.21 0.00 0.00 174.62 172.99 1dto n GLY 108 N -0.08 0.41 2.79 6.08 0.00 0.15 -4.99 105.19 109.56 1dto n GLY 108 Ca 0.12 -0.99 -0.16 0.00 0.00 0.00 0.00 46.02 44.98 1dto n GLY 108 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1dto s ILE 110 N 1.07 2.81 0.03 0.00 -1.09 -1.26 -4.26 121.20 118.51 1dto s ILE 110 Ca -0.09 0.75 -0.15 0.00 -2.23 0.00 0.00 60.65 58.93 1dto s ILE 110 Cb -0.13 -3.46 0.03 0.00 -1.58 0.00 0.00 42.46 37.31 1dto s ILE 110 CO -0.02 0.14 0.34 -1.59 -1.23 0.00 0.00 174.94 172.57 1dto s LYS 111 N -2.02 0.82 0.28 2.79 -2.85 -1.26 -1.26 119.74 116.23 1dto s LYS 111 Ca 0.53 -0.40 0.03 0.00 -1.00 0.00 0.00 55.97 55.12 1dto s LYS 111 Cb -0.37 0.36 -0.03 0.00 -2.06 0.00 0.00 37.83 35.73 1dto s LYS 111 CO 0.48 -0.26 0.24 -1.59 0.10 0.00 0.00 175.35 174.32 1dto s LYS 112 N -2.30 1.55 -1.15 1.78 -2.85 -0.11 -4.76 119.74 111.90 1dto s LYS 112 Ca -0.07 -1.83 -0.09 0.00 -1.00 0.00 0.00 55.97 52.98 1dto s LYS 112 Cb -0.02 0.32 -0.03 0.00 -2.06 0.00 0.00 37.83 36.04 1dto s LYS 112 CO -0.02 -0.56 0.83 0.72 0.10 0.00 0.00 175.35 176.43 1dto n HIS 113 N -0.48 -2.14 -2.85 1.78 8.25 -1.26 -2.40 115.22 116.13 1dto n HIS 113 Ca 0.05 0.72 -0.33 0.00 -0.26 0.00 0.00 57.72 57.89 1dto n HIS 113 Cb 0.64 -4.01 -0.07 0.00 1.12 0.00 0.00 29.99 27.67 1dto n HIS 113 CO 0.00 0.00 0.00 0.20 0.64 0.00 0.00 176.34 177.18 1dto s GLY 114 N -3.69 2.41 0.14 -1.41 0.00 -1.26 -2.20 107.32 101.31 1dto s GLY 114 Ca 0.34 0.38 -0.14 0.00 0.00 0.00 0.00 44.72 45.30 1dto s GLY 114 CO 0.80 0.66 0.37 -2.52 0.00 0.00 0.00 173.10 172.41 1dto s TYR 115 N -2.12 -0.00 0.19 1.90 -0.85 -0.23 -4.97 117.35 111.26 1dto s TYR 115 Ca 0.60 -0.35 -0.18 0.00 -0.52 0.00 0.00 57.07 56.62 1dto s TYR 115 Cb -0.10 0.17 -0.08 0.00 0.38 0.00 0.00 41.96 42.34 1dto s TYR 115 CO 0.14 -0.73 0.67 0.99 -1.52 0.00 0.00 175.55 175.11 1dto s THR 116 N -3.86 4.65 -0.05 -3.49 2.01 -1.26 -0.21 115.64 113.42 1dto s THR 116 Ca 0.08 1.18 0.06 0.00 0.31 0.00 0.00 61.69 63.31 1dto s THR 116 Cb 0.02 -3.84 -0.02 0.00 0.01 0.00 0.00 72.50 68.67 1dto s THR 116 CO -0.07 0.26 -0.22 -0.69 -0.69 0.00 0.00 174.62 173.20 1dto s VAL 117 N -1.46 2.32 -0.04 3.82 1.01 0.31 -4.76 120.40 121.60 1dto s VAL 117 Ca 0.40 -0.98 0.07 0.00 0.00 0.00 0.00 61.98 61.47 1dto s VAL 117 Cb -0.17 -1.86 -0.02 0.00 0.00 0.00 0.00 36.38 34.34 1dto s VAL 117 CO 0.21 0.57 -0.23 -1.83 0.00 0.00 0.00 175.10 173.82 1dto s GLU 118 N -0.35 2.30 -0.14 2.72 -1.05 0.71 -1.56 118.70 121.32 1dto s GLU 118 Ca 0.02 -0.87 0.02 0.00 -0.15 0.00 0.00 54.97 54.00 1dto s GLU 118 Cb -0.12 -2.14 0.01 0.00 -0.44 0.00 0.00 34.13 31.43 1dto s GLU 118 CO 0.02 0.53 -0.22 0.08 0.95 0.00 0.00 175.26 176.62 1dto s VAL 119 N -0.53 2.05 -0.31 1.83 1.01 -0.16 -0.51 120.40 123.78 1dto s VAL 119 Ca 0.07 -0.97 -0.11 0.00 0.00 0.00 0.00 61.98 60.98 1dto s VAL 119 Cb -0.11 -1.81 -0.02 0.00 0.00 0.00 0.00 36.38 34.44 1dto s VAL 119 CO 0.00 0.55 0.18 -1.10 0.00 0.00 0.00 175.10 174.73 1dto s GLN 120 N 0.83 3.54 0.00 2.72 -0.21 -0.27 -0.76 119.66 125.51 1dto s GLN 120 Ca -0.07 -0.59 0.29 0.00 0.02 0.00 0.00 55.36 55.01 1dto s GLN 120 Cb -0.15 -3.64 1.35 0.00 1.00 0.00 0.00 33.01 31.57 1dto s GLN 120 CO -0.02 -0.36 1.92 1.19 -2.12 0.00 0.00 175.29 175.90 1dto n PHE 121 N 5.03 0.00 0.00 0.91 3.01 0.16 -1.54 117.46 125.03 1dto n PHE 121 Ca -0.14 0.00 0.00 0.00 1.01 0.00 0.00 57.45 58.32 1dto n PHE 121 Cb 0.50 -0.01 0.00 0.00 -0.01 0.00 0.00 39.48 39.96 1dto n PHE 121 CO 0.00 0.00 0.00 -3.47 1.01 0.00 0.00 176.76 174.30 1dto n ASP 122 N -0.31 0.00 -3.65 4.37 -0.08 -1.26 -4.74 116.55 110.88 1dto n ASP 122 Ca 0.20 0.00 -0.05 0.00 -1.51 0.00 0.00 54.79 53.43 1dto n ASP 122 Cb 0.27 0.15 -0.06 0.00 2.34 0.00 0.00 41.12 43.82 1dto n ASP 122 CO 0.00 0.00 0.00 -0.83 0.12 0.00 0.00 177.20 176.49 1dto s GLY 123 N -1.46 -0.62 -0.97 0.27 0.00 -1.26 -5.03 107.32 98.25 1dto s GLY 123 Ca 0.00 2.23 -0.25 0.00 0.00 0.00 0.00 44.72 46.70 1dto s GLY 123 CO 0.00 2.61 2.07 -0.35 0.00 0.00 0.00 173.10 177.44 1dto s ASP 124 N 2.22 4.59 -0.42 1.64 -1.08 -1.26 -4.90 116.67 117.46 1dto s ASP 124 Ca -0.08 -0.78 -0.24 0.00 -0.52 0.00 0.00 52.55 50.93 1dto s ASP 124 Cb -0.09 -2.57 -0.12 0.00 -1.46 0.00 0.00 42.92 38.68 1dto s ASP 124 CO -0.18 -3.37 1.44 0.59 0.52 0.00 0.00 175.17 174.17 1dto n ASN 127 N 15.94 0.35 -4.01 -0.34 3.02 -1.26 -5.19 115.26 123.77 1dto n ASN 127 Ca 0.43 0.30 -0.31 0.00 -0.03 0.00 0.00 54.58 54.97 1dto n ASN 127 Cb 0.46 -0.55 -0.16 0.00 -0.61 0.00 0.00 39.78 38.92 1dto n ASN 127 CO 0.00 0.00 0.00 -0.89 -2.62 0.00 0.00 177.26 173.75 1dto s THR 128 N 4.37 1.65 0.07 3.41 2.01 -1.26 -0.66 115.64 125.23 1dto s THR 128 Ca 0.77 -0.90 0.01 0.00 0.31 0.00 0.00 61.69 61.88 1dto s THR 128 Cb -0.86 -1.66 -0.04 0.00 0.01 0.00 0.00 72.50 69.95 1dto s THR 128 CO 0.36 0.28 0.16 -0.04 -0.69 0.00 0.00 174.62 174.69 1dto s MET 129 N 1.41 3.23 -0.09 4.92 -1.94 0.06 -4.94 119.30 121.96 1dto s MET 129 Ca 0.01 -0.54 0.02 0.00 -1.71 0.00 0.00 55.69 53.48 1dto s MET 129 Cb -0.15 -2.92 -0.02 0.00 2.01 0.00 0.00 34.83 33.75 1dto s MET 129 CO -0.09 0.59 -0.16 -1.01 -0.01 0.00 0.00 175.02 174.34 1dto s HIS 130 N -1.47 2.70 0.05 -0.03 3.76 -1.26 -0.99 115.29 118.05 1dto s HIS 130 Ca 0.33 -0.53 0.03 0.00 -0.15 0.00 0.00 55.06 54.73 1dto s HIS 130 Cb -0.13 -1.73 -0.03 0.00 1.11 0.00 0.00 32.58 31.81 1dto s HIS 130 CO 0.26 -0.10 -0.09 0.71 -0.85 0.00 0.00 174.74 174.66 1dto s TYR 131 N -0.07 0.83 -0.20 1.40 1.51 -0.60 -4.98 117.35 115.22 1dto s TYR 131 Ca -0.03 -0.52 -0.12 0.00 -1.01 0.00 0.00 57.07 55.38 1dto s TYR 131 Cb -0.14 -0.48 -0.05 0.00 -0.11 0.00 0.00 41.96 41.18 1dto s TYR 131 CO 0.04 -0.05 0.23 0.99 -1.11 0.00 0.00 175.55 175.65 1dto s THR 132 N -1.54 5.33 0.31 -0.71 2.01 -1.26 -0.53 115.64 119.24 1dto s THR 132 Ca -0.06 0.37 0.08 0.00 0.31 0.00 0.00 61.69 62.39 1dto s THR 132 Cb -0.09 -3.57 -0.04 0.00 0.01 0.00 0.00 72.50 68.82 1dto s THR 132 CO 0.01 0.36 0.18 0.21 -0.69 0.00 0.00 174.62 174.69 1dto s ASN 133 N 0.74 5.00 -0.04 3.53 3.04 0.71 -4.92 114.94 122.99 1dto s ASN 133 Ca 0.12 -0.58 0.02 0.00 0.04 0.00 0.00 52.86 52.46 1dto s ASN 133 Cb -0.13 -0.93 0.01 0.00 -1.54 0.00 0.00 41.25 38.66 1dto s ASN 133 CO 0.03 -0.23 -0.07 0.26 -3.04 0.00 0.00 177.10 174.05 1dto s TRP 134 N -2.33 0.86 -0.00 0.43 0.52 -1.26 -1.07 118.94 116.10 1dto s TRP 134 Ca 0.37 -0.24 0.16 0.00 0.02 0.00 0.00 56.10 56.41 1dto s TRP 134 Cb -0.05 -0.68 0.32 0.00 -1.15 0.00 0.00 33.47 31.91 1dto s TRP 134 CO 0.24 -0.15 1.56 1.79 0.02 0.00 0.00 176.95 180.40 1dto h THR 135 N 5.80 0.92 -3.63 2.01 1.35 -1.38 0.11 112.91 118.08 1dto h THR 135 Ca -0.35 -1.99 -0.61 0.00 -0.55 0.00 0.00 66.41 62.90 1dto h THR 135 Cb 1.17 2.24 -0.38 0.00 -1.73 0.00 0.00 68.15 69.44 1dto h THR 135 CO 0.48 0.47 -0.78 -1.00 -0.25 0.00 0.00 175.52 174.44 1dto s HIS 136 N -3.22 2.46 -0.17 4.73 3.76 -1.01 -3.93 115.29 117.91 1dto s HIS 136 Ca 0.02 -1.83 0.01 0.00 -0.15 0.00 0.00 55.06 53.11 1dto s HIS 136 Cb 0.09 -1.65 0.01 0.00 1.11 0.00 0.00 32.58 32.14 1dto s HIS 136 CO 0.72 -0.79 -0.17 0.42 -0.85 0.00 0.00 174.74 174.07 1dto s ILE 137 N 1.37 2.43 -0.42 0.60 1.01 0.26 -0.93 121.20 125.52 1dto s ILE 137 Ca -0.05 -0.84 -0.18 0.00 0.00 0.00 0.00 60.65 59.59 1dto s ILE 137 Cb -0.19 -2.02 0.02 0.00 0.01 0.00 0.00 42.46 40.28 1dto s ILE 137 CO -0.07 0.52 0.48 -0.31 0.00 0.00 0.00 174.94 175.56 1dto s TYR 138 N 1.02 3.15 -0.68 3.97 1.51 -0.39 0.11 117.35 126.05 1dto s TYR 138 Ca -0.02 -0.30 -0.22 0.00 -1.01 0.00 0.00 57.07 55.52 1dto s TYR 138 Cb -0.15 -2.98 0.08 0.00 -0.11 0.00 0.00 41.96 38.80 1dto s TYR 138 CO -0.05 -0.73 0.94 0.42 -1.11 0.00 0.00 175.55 175.03 1dto s ILE 139 N 2.27 4.44 -0.17 2.71 -1.09 -0.00 -4.17 121.20 125.19 1dto s ILE 139 Ca 0.14 -0.59 -0.13 0.00 -2.23 0.00 0.00 60.65 57.84 1dto s ILE 139 Cb -0.16 -4.67 -0.05 0.00 -1.58 0.00 0.00 42.46 36.00 1dto s ILE 139 CO 0.15 -1.41 0.26 0.00 -1.23 0.00 0.00 174.94 172.70 1dto n GLU 141 N 3.60 2.74 -0.25 0.00 1.02 0.66 -5.01 120.64 123.39 1dto n GLU 141 Ca -0.13 0.00 -0.05 0.00 -0.02 0.00 0.00 57.16 56.96 1dto n GLU 141 Cb 0.52 0.00 0.05 0.00 -0.02 0.00 0.00 31.44 31.99 1dto n GLU 141 CO 0.00 0.00 0.00 0.93 1.18 0.00 0.00 177.13 179.24 1dto h GLU 142 N 0.00 0.93 0.00 3.49 3.07 -2.02 -3.29 114.58 116.76 1dto h GLU 142 Ca 0.00 -0.06 -0.01 0.00 -0.50 0.00 0.00 59.36 58.79 1dto h GLU 142 Cb 0.00 -0.21 -0.03 0.00 -0.84 0.00 0.00 28.75 27.68 1dto h GLU 142 CO 0.00 0.62 -0.29 0.00 -1.40 0.00 0.00 179.01 177.94 1dto n ALA 143 N -2.29 2.33 -3.75 3.43 0.00 -1.26 -5.07 120.51 113.90 1dto n ALA 143 Ca 0.06 -2.15 -0.06 0.00 0.00 0.00 0.00 53.44 51.29 1dto n ALA 143 Cb 0.02 -0.44 -0.02 0.00 0.00 0.00 0.00 19.45 19.01 1dto n ALA 143 CO 0.00 0.00 0.00 -1.54 0.00 0.00 0.00 177.50 175.96 1dto s SER 144 N -2.24 -0.26 -0.09 0.00 1.04 -1.24 -5.16 113.70 105.74 1dto s SER 144 Ca 0.22 -0.42 -0.09 0.00 0.48 0.00 0.00 55.95 56.15 1dto s SER 144 Cb 0.21 0.59 0.02 0.00 0.10 0.00 0.00 66.02 66.94 1dto s SER 144 CO -0.00 -1.07 0.25 0.54 0.98 0.00 0.00 173.24 173.94 1dto s VAL 145 N -3.57 -0.00 -0.04 5.02 0.11 -1.26 -0.25 120.40 120.41 1dto s VAL 145 Ca 0.10 0.00 0.03 0.00 -2.93 0.00 0.00 61.98 59.18 1dto s VAL 145 Cb -0.03 -0.35 0.01 0.00 -1.53 0.00 0.00 36.38 34.47 1dto s VAL 145 CO 0.02 0.00 -0.10 -0.89 -3.33 0.00 0.00 175.10 170.80 1dto s THR 146 N 0.16 0.88 -0.02 5.04 2.01 -0.85 -4.98 115.64 117.89 1dto s THR 146 Ca -0.00 -0.39 -0.23 0.00 0.31 0.00 0.00 61.69 61.37 1dto s THR 146 Cb -0.02 -0.79 -0.04 0.00 0.01 0.00 0.00 72.50 71.65 1dto s THR 146 CO 0.00 0.28 0.70 0.54 -0.69 0.00 0.00 174.62 175.45 1dto s VAL 147 N 0.32 4.93 0.25 3.82 0.11 -1.26 -0.82 120.40 127.75 1dto s VAL 147 Ca -0.06 1.47 0.09 0.00 -2.93 0.00 0.00 61.98 60.55 1dto s VAL 147 Cb -0.11 -4.04 -0.05 0.00 -1.53 0.00 0.00 36.38 30.65 1dto s VAL 147 CO 0.01 0.31 -0.15 0.68 -3.33 0.00 0.00 175.10 172.63 1dto s VAL 148 N 0.38 2.01 -0.05 2.04 -7.23 0.12 -4.92 120.40 112.74 1dto s VAL 148 Ca 0.37 -2.26 -0.03 0.00 -1.81 0.00 0.00 61.98 58.24 1dto s VAL 148 Cb -0.19 -2.24 -0.04 0.00 0.56 0.00 0.00 36.38 34.48 1dto s VAL 148 CO 0.19 -0.46 0.11 -1.83 -0.31 0.00 0.00 175.10 172.80 1dto s GLU 149 N -3.61 3.24 0.05 4.82 -1.05 -1.26 0.91 118.70 121.80 1dto s GLU 149 Ca 0.27 -0.33 -0.30 0.00 -0.15 0.00 0.00 54.97 54.46 1dto s GLU 149 Cb -0.01 -3.00 -0.05 0.00 -0.44 0.00 0.00 34.13 30.63 1dto s GLU 149 CO 0.11 0.70 1.14 0.20 0.95 0.00 0.00 175.26 178.36 1dto s GLY 150 N -1.42 2.55 0.29 -3.83 0.00 0.37 -4.54 107.32 100.74 1dto s GLY 150 Ca 0.20 0.77 0.09 0.00 0.00 0.00 0.00 44.72 45.78 1dto s GLY 150 CO 0.10 1.94 -0.12 1.20 0.00 0.00 0.00 173.10 176.22 1dto s GLN 151 N 1.01 1.64 -0.05 2.90 -0.21 0.18 -4.76 119.66 120.38 1dto s GLN 151 Ca 0.57 -1.80 0.01 0.00 0.02 0.00 0.00 55.36 54.16 1dto s GLN 151 Cb -0.27 -1.50 0.02 0.00 1.00 0.00 0.00 33.01 32.26 1dto s GLN 151 CO 0.29 0.17 -0.07 0.08 -2.12 0.00 0.00 175.29 173.64 1dto s VAL 152 N -2.74 0.71 0.37 1.09 1.01 -1.26 -0.79 120.40 118.79 1dto s VAL 152 Ca 0.30 -0.23 0.08 0.00 0.00 0.00 0.00 61.98 62.12 1dto s VAL 152 Cb 0.00 -0.70 -0.04 0.00 0.00 0.00 0.00 36.38 35.65 1dto s VAL 152 CO 0.13 0.26 0.20 -1.81 0.00 0.00 0.00 175.10 173.88 1dto s ASP 153 N 0.80 4.69 0.26 3.32 1.01 -0.08 -5.00 116.67 121.68 1dto s ASP 153 Ca -0.13 -0.84 -0.02 0.00 0.71 0.00 0.00 52.55 52.27 1dto s ASP 153 Cb -0.15 -0.64 0.33 0.00 1.01 0.00 0.00 42.92 43.47 1dto s ASP 153 CO 0.01 -0.43 1.77 0.22 0.21 0.00 0.00 175.17 176.96 1dto h TYR 154 N 1.42 0.88 0.00 4.23 3.20 -1.92 -3.22 116.97 121.57 1dto h TYR 154 Ca -0.43 -0.11 -0.18 0.00 3.14 0.00 0.00 58.73 61.15 1dto h TYR 154 Cb 1.25 -0.25 -0.03 0.00 1.54 0.00 0.00 36.73 39.25 1dto h TYR 154 CO 0.60 0.78 -0.86 1.88 -1.64 0.00 0.00 178.16 178.93 1dto h TYR 155 N 0.79 0.00 0.00 -3.82 -1.99 -1.96 -3.45 116.97 106.54 1dto h TYR 155 Ca 0.16 0.00 0.00 0.00 2.00 0.00 0.00 58.73 60.89 1dto h TYR 155 Cb 0.40 0.00 0.00 0.00 2.00 0.00 0.00 36.73 39.13 1dto h TYR 155 CO 0.02 0.86 0.00 0.41 -0.00 0.00 0.00 178.16 179.45 1dto n GLY 156 N 1.06 -0.52 3.65 3.88 0.00 -1.22 0.10 105.19 112.14 1dto n GLY 156 Ca -0.00 -0.91 -0.35 0.00 0.00 0.00 0.00 46.02 44.76 1dto n GLY 156 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1dto s LEU 157 N 0.00 3.61 0.25 0.99 1.43 -0.63 -0.90 118.68 123.44 1dto s LEU 157 Ca 0.00 0.10 -0.10 0.00 -1.03 0.00 0.00 54.13 53.10 1dto s LEU 157 Cb 0.00 -1.85 -0.01 0.00 0.03 0.00 0.00 46.19 44.36 1dto s LEU 157 CO 0.00 0.30 0.43 -0.72 0.23 0.00 0.00 176.35 176.59 1dto s TYR 158 N -0.42 0.56 0.15 0.29 -0.85 0.03 -0.85 117.35 116.26 1dto s TYR 158 Ca 0.08 -0.89 -0.00 0.00 -0.52 0.00 0.00 57.07 55.74 1dto s TYR 158 Cb -0.12 0.05 -0.04 0.00 0.38 0.00 0.00 41.96 42.23 1dto s TYR 158 CO 0.02 -0.96 0.04 1.52 -1.52 0.00 0.00 175.55 174.65 1dto s TYR 159 N -3.92 0.99 -0.20 -3.49 1.13 -0.44 0.51 117.35 111.93 1dto s TYR 159 Ca 0.26 -1.17 0.01 0.00 -1.41 0.00 0.00 57.07 54.76 1dto s TYR 159 Cb 0.01 -0.56 0.03 0.00 -1.10 0.00 0.00 41.96 40.33 1dto s TYR 159 CO 0.11 -0.42 -0.17 0.08 -2.51 0.00 0.00 175.55 172.64 1dto s VAL 160 N -3.92 2.16 -0.13 -3.49 1.01 -1.26 0.05 120.40 114.82 1dto s VAL 160 Ca 0.25 -1.08 -0.00 0.00 0.00 0.00 0.00 61.98 61.15 1dto s VAL 160 Cb 0.07 -2.00 0.02 0.00 0.00 0.00 0.00 36.38 34.48 1dto s VAL 160 CO 0.03 0.40 -0.10 -2.28 0.00 0.00 0.00 175.10 173.15 1dto s HIS 161 N 1.26 1.78 -1.47 5.22 5.04 -0.02 -4.78 115.29 122.32 1dto s HIS 161 Ca 0.02 -0.95 -0.07 0.00 -1.54 0.00 0.00 55.06 52.52 1dto s HIS 161 Cb -0.15 -1.39 0.01 0.00 0.04 0.00 0.00 32.58 31.10 1dto s HIS 161 CO -0.11 -0.58 0.85 0.39 -2.34 0.00 0.00 174.74 172.95 1dto n GLU 162 N 4.87 -6.07 0.00 2.88 1.02 -1.26 -1.20 120.64 120.88 1dto n GLU 162 Ca -0.14 0.85 0.00 0.00 -0.02 0.00 0.00 57.16 57.84 1dto n GLU 162 Cb 0.50 -5.78 0.00 0.00 -0.02 0.00 0.00 31.44 26.14 1dto n GLU 162 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 1dto n GLY 163 N -1.71 2.32 3.57 0.62 0.00 -1.26 -5.00 105.19 103.72 1dto n GLY 163 Ca -0.05 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 45.60 1dto n GLY 163 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1dto s ILE 164 N -2.37 5.03 -0.19 -0.61 1.01 -0.34 -5.05 121.20 118.68 1dto s ILE 164 Ca 0.00 0.07 -0.28 0.00 0.00 0.00 0.00 60.65 60.45 1dto s ILE 164 Cb 0.00 -3.37 -0.00 0.00 0.01 0.00 0.00 42.46 39.10 1dto s ILE 164 CO 0.00 0.31 0.95 -0.60 0.00 0.00 0.00 174.94 175.60 1dto s ARG 165 N 1.48 4.29 -0.21 2.79 3.52 -1.26 -0.84 118.95 128.71 1dto s ARG 165 Ca 0.07 1.22 0.01 0.00 -0.13 0.00 0.00 55.73 56.90 1dto s ARG 165 Cb -0.15 -3.61 0.04 0.00 -1.56 0.00 0.00 34.95 29.67 1dto s ARG 165 CO 0.07 -0.48 -0.14 0.99 -0.81 0.00 0.00 175.30 174.93 1dto s THR 166 N 2.67 1.93 -0.13 4.11 2.01 0.11 -4.97 115.64 121.37 1dto s THR 166 Ca 0.42 -1.13 -0.26 0.00 0.31 0.00 0.00 61.69 61.03 1dto s THR 166 Cb -0.16 -1.90 -0.02 0.00 0.01 0.00 0.00 72.50 70.43 1dto s THR 166 CO 0.10 0.27 0.85 -0.31 -0.69 0.00 0.00 174.62 174.84 1dto s TYR 167 N 1.29 3.48 -0.48 4.92 1.51 -1.26 -1.32 117.35 125.48 1dto s TYR 167 Ca -0.01 1.35 0.21 0.00 -1.01 0.00 0.00 57.07 57.61 1dto s TYR 167 Cb -0.16 -3.02 -0.28 0.00 -0.11 0.00 0.00 41.96 38.40 1dto s TYR 167 CO -0.09 -0.16 0.66 1.97 -1.11 0.00 0.00 175.55 176.81 1dto n PHE 168 N 4.84 0.00 -4.07 2.71 1.16 -0.03 -4.87 117.46 117.19 1dto n PHE 168 Ca 0.04 0.00 -0.19 0.00 -1.87 0.00 0.00 57.45 55.43 1dto n PHE 168 Cb 0.49 -0.25 -0.16 0.00 -1.61 0.00 0.00 39.48 37.95 1dto n PHE 168 CO 0.00 0.00 0.00 0.08 -1.87 0.00 0.00 176.76 174.97 1dto s VAL 169 N -3.21 0.41 -0.25 1.97 1.01 -1.09 -4.83 120.40 114.41 1dto s VAL 169 Ca -0.00 -0.04 -0.05 0.00 0.00 0.00 0.00 61.98 61.88 1dto s VAL 169 Cb 0.14 -0.46 -0.00 0.00 0.00 0.00 0.00 36.38 36.06 1dto s VAL 169 CO 0.86 0.20 0.00 -1.10 0.00 0.00 0.00 175.10 175.06 1dto s GLN 170 N 0.97 3.27 0.56 2.72 -0.21 -1.26 -1.60 119.66 124.10 1dto s GLN 170 Ca -0.10 -0.71 0.34 0.00 0.02 0.00 0.00 55.36 54.90 1dto s GLN 170 Cb -0.14 -3.15 1.64 0.00 1.00 0.00 0.00 33.01 32.35 1dto s GLN 170 CO -0.01 -0.29 2.10 0.74 -2.12 0.00 0.00 175.29 175.71 1dto h PHE 171 N 8.15 0.00 0.00 0.91 0.04 -0.65 -2.02 116.94 123.37 1dto h PHE 171 Ca -0.37 0.00 -0.02 0.00 2.80 0.00 0.00 57.97 60.37 1dto h PHE 171 Cb 1.15 0.00 -0.00 0.00 2.20 0.00 0.00 35.95 39.29 1dto h PHE 171 CO 0.60 0.05 -0.12 -0.22 -0.60 0.00 0.00 178.31 178.03 1dto h LYS 172 N 0.00 0.00 0.23 1.51 3.64 -1.93 -2.55 116.57 117.47 1dto h LYS 172 Ca -0.00 0.00 -0.01 0.00 -1.27 0.00 0.00 60.65 59.37 1dto h LYS 172 Cb 0.34 0.00 0.00 0.00 -0.41 0.00 0.00 32.23 32.16 1dto h LYS 172 CO 0.01 0.12 -0.12 -0.44 -2.27 0.00 0.00 179.45 176.75 1dto h ASP 173 N 0.00 -0.28 -0.26 4.20 3.45 -1.75 -1.93 116.42 119.85 1dto h ASP 173 Ca -0.00 0.01 -0.11 0.00 0.43 0.00 0.00 57.03 57.36 1dto h ASP 173 Cb 0.24 0.08 -0.01 0.00 -0.56 0.00 0.00 39.33 39.07 1dto h ASP 173 CO 0.01 -0.19 -0.22 0.44 -1.57 0.00 0.00 179.24 177.71 1dto h ASP 174 N -0.32 0.74 -0.80 6.45 3.32 -1.67 -3.00 116.42 121.15 1dto h ASP 174 Ca -0.03 -0.26 -0.01 0.00 0.02 0.00 0.00 57.03 56.75 1dto h ASP 174 Cb 0.25 -0.20 -0.04 0.00 0.22 0.00 0.00 39.33 39.56 1dto h ASP 174 CO 0.04 0.95 0.47 0.00 -1.72 0.00 0.00 179.24 178.98 1dto h ALA 175 N 1.11 1.30 0.00 3.45 0.00 -1.37 -0.44 119.26 123.32 1dto h ALA 175 Ca 0.09 -0.10 0.00 0.00 0.00 0.00 0.00 54.91 54.90 1dto h ALA 175 Cb 0.72 -0.33 0.00 0.00 0.00 0.00 0.00 17.79 18.18 1dto h ALA 175 CO 0.06 0.58 0.00 0.39 0.00 0.00 0.00 179.25 180.28 1dto n GLU 176 N -4.36 0.15 -0.00 0.00 1.02 -0.73 -1.11 120.64 115.59 1dto n GLU 176 Ca 0.09 0.13 0.02 0.00 -0.02 0.00 0.00 57.16 57.37 1dto n GLU 176 Cb 0.08 -1.67 -0.12 0.00 -0.02 0.00 0.00 31.44 29.71 1dto n GLU 176 CO 0.00 0.00 0.00 1.17 1.18 0.00 0.00 177.13 179.48 1dto n LYS 177 N -1.93 0.65 -0.00 3.49 4.81 -0.74 -4.75 118.16 119.68 1dto n LYS 177 Ca 0.06 0.04 -0.01 0.00 -0.87 0.00 0.00 58.31 57.53 1dto n LYS 177 Cb 0.39 -1.66 -0.00 0.00 0.02 0.00 0.00 35.03 33.77 1dto n LYS 177 CO 0.00 0.00 0.00 0.66 1.17 0.00 0.00 177.40 179.23 1dto n TYR 178 N -2.66 0.00 -2.91 5.64 4.01 -0.25 -5.09 117.16 115.90 1dto n TYR 178 Ca -0.13 0.00 -0.19 0.00 -0.16 0.00 0.00 57.90 57.43 1dto n TYR 178 Cb 0.81 -0.04 0.03 0.00 -0.31 0.00 0.00 39.34 39.83 1dto n TYR 178 CO 0.00 0.00 0.00 0.45 -0.46 0.00 0.00 176.86 176.85 1dto s SER 179 N -4.49 5.44 -0.22 7.72 0.15 -0.27 -5.05 113.70 116.97 1dto s SER 179 Ca -0.01 -0.39 0.05 0.00 0.70 0.00 0.00 55.95 56.30 1dto s SER 179 Cb 0.00 -0.55 -0.20 0.00 -1.71 0.00 0.00 66.02 63.57 1dto s SER 179 CO 0.02 -0.98 -0.05 1.17 1.20 0.00 0.00 173.24 174.61 1dto n LYS 180 N -2.06 0.67 -3.81 5.44 4.81 -1.26 -4.71 118.16 117.24 1dto n LYS 180 Ca 0.09 0.13 -0.30 0.00 -0.87 0.00 0.00 58.31 57.37 1dto n LYS 180 Cb 0.60 -1.56 -0.04 0.00 0.02 0.00 0.00 35.03 34.05 1dto n LYS 180 CO 0.00 0.00 0.00 -0.80 1.17 0.00 0.00 177.40 177.77 1dto s ASN 181 N -6.33 6.40 -0.99 3.14 -0.87 -1.26 -5.02 114.94 110.01 1dto s ASN 181 Ca -0.26 0.39 -0.01 0.00 -1.57 0.00 0.00 52.86 51.41 1dto s ASN 181 Cb 0.08 -2.01 0.32 0.00 -0.02 0.00 0.00 41.25 39.62 1dto s ASN 181 CO 0.68 0.09 1.70 1.17 -2.57 0.00 0.00 177.10 178.17 1dto n LYS 182 N 0.00 5.13 -3.72 -0.60 4.81 -1.26 -4.92 118.16 117.60 1dto n LYS 182 Ca -0.04 -4.68 -0.17 0.00 -0.87 0.00 0.00 58.31 52.55 1dto n LYS 182 Cb 0.52 -2.45 -0.17 0.00 0.02 0.00 0.00 35.03 32.95 1dto n LYS 182 CO 0.00 0.00 0.00 0.08 1.17 0.00 0.00 177.40 178.65 1dto s VAL 183 N -4.18 -0.09 0.30 3.15 1.01 -1.26 -5.15 120.40 114.18 1dto s VAL 183 Ca 0.39 0.32 0.05 0.00 0.00 0.00 0.00 61.98 62.74 1dto s VAL 183 Cb 0.18 -0.13 -0.03 0.00 0.00 0.00 0.00 36.38 36.40 1dto s VAL 183 CO -0.11 0.13 0.25 -1.66 0.00 0.00 0.00 175.10 173.72 1dto s TRP 184 N 1.62 1.58 -0.07 5.22 -2.14 -1.26 -4.52 118.94 119.37 1dto s TRP 184 Ca -0.02 -1.58 0.01 0.00 2.66 0.00 0.00 56.10 57.17 1dto s TRP 184 Cb -0.12 -0.65 0.02 0.00 -3.10 0.00 0.00 33.47 29.61 1dto s TRP 184 CO -0.03 -0.83 -0.07 -1.21 -2.66 0.00 0.00 176.95 172.15 1dto s GLU 185 N -3.61 1.23 -0.22 3.25 2.02 -0.59 -4.30 118.70 116.48 1dto s GLU 185 Ca 0.40 -0.21 -0.09 0.00 0.02 0.00 0.00 54.97 55.09 1dto s GLU 185 Cb 0.03 -1.19 -0.04 0.00 0.10 0.00 0.00 34.13 33.04 1dto s GLU 185 CO 0.24 -0.10 0.11 0.08 0.02 0.00 0.00 175.26 175.60 1dto s VAL 186 N 1.10 4.96 -0.19 2.63 1.01 -0.71 -1.11 120.40 128.08 1dto s VAL 186 Ca -0.07 0.04 -0.03 0.00 0.00 0.00 0.00 61.98 61.91 1dto s VAL 186 Cb -0.14 -3.29 -0.01 0.00 0.00 0.00 0.00 36.38 32.94 1dto s VAL 186 CO -0.01 0.39 -0.07 -1.00 0.00 0.00 0.00 175.10 174.41 1dto s HIS 187 N 0.90 2.93 -0.03 5.22 3.76 0.33 0.14 115.29 128.54 1dto s HIS 187 Ca 0.05 -0.83 0.10 0.00 -0.15 0.00 0.00 55.06 54.24 1dto s HIS 187 Cb -0.13 -2.03 0.18 0.00 1.11 0.00 0.00 32.58 31.71 1dto s HIS 187 CO 0.03 -0.43 1.08 0.00 -0.85 0.00 0.00 174.74 174.57 1dto n ALA 188 N 4.37 2.23 -0.11 -1.40 0.00 -1.26 -0.21 120.51 124.14 1dto n ALA 188 Ca -0.18 -1.71 0.00 0.00 0.00 0.00 0.00 53.44 51.55 1dto n ALA 188 Cb 0.51 -0.54 0.00 0.00 0.00 0.00 0.00 19.45 19.43 1dto n ALA 188 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1dto n GLY 189 N -0.12 0.94 0.00 0.00 0.00 -1.26 -4.95 105.19 99.79 1dto n GLY 189 Ca 0.05 -0.09 0.00 0.00 0.00 0.00 0.00 46.02 45.97 1dto n GLY 189 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1dto n GLY 190 N -2.11 3.19 3.70 -0.02 0.00 -1.26 -5.11 105.19 103.59 1dto n GLY 190 Ca 0.00 -0.46 -0.43 0.00 0.00 0.00 0.00 46.02 45.13 1dto n GLY 190 CO 0.00 0.00 0.00 -0.18 0.00 0.00 0.00 173.32 173.14 1dto n GLN 191 N 0.00 2.47 -1.61 1.61 7.27 -1.26 -4.91 117.38 120.94 1dto n GLN 191 Ca 0.00 0.89 -0.42 0.00 0.07 0.00 0.00 57.00 57.54 1dto n GLN 191 Cb 0.00 -2.66 0.01 0.00 2.41 0.00 0.00 30.24 29.99 1dto n GLN 191 CO 0.00 0.00 0.00 0.28 0.07 0.00 0.00 177.06 177.41 1dto n VAL 192 N 3.00 2.31 -3.67 1.69 0.31 -1.26 -4.70 118.33 116.02 1dto n VAL 192 Ca 0.14 -0.50 -0.37 0.00 -0.01 0.00 0.00 64.34 63.59 1dto n VAL 192 Cb 0.33 -1.16 -0.11 0.00 -0.91 0.00 0.00 33.84 31.99 1dto n VAL 192 CO 0.00 0.00 0.00 -0.63 -1.32 0.00 0.00 176.83 174.88 1dto s ILE 193 N -1.22 5.04 0.30 2.52 1.01 0.12 -4.93 121.20 124.04 1dto s ILE 193 Ca 0.62 0.07 0.06 0.00 0.00 0.00 0.00 60.65 61.40 1dto s ILE 193 Cb -0.58 -3.37 -0.02 0.00 0.01 0.00 0.00 42.46 38.49 1dto s ILE 193 CO 0.58 0.30 0.40 -0.76 0.00 0.00 0.00 174.94 175.46 1dto s LEU 194 N 1.52 4.03 0.13 2.97 1.43 -1.26 -1.74 118.68 125.76 1dto s LEU 194 Ca 0.07 -0.14 -0.33 0.00 -1.03 0.00 0.00 54.13 52.70 1dto s LEU 194 Cb -0.15 -2.71 -0.12 0.00 0.03 0.00 0.00 46.19 43.24 1dto s LEU 194 CO 0.07 -0.29 1.74 0.00 0.23 0.00 0.00 176.35 178.10 1dto n PRO 196 N 4.66 0.86 -4.09 0.00 -0.04 -1.26 -4.93 135.00 130.19 1dto n PRO 196 Ca 0.18 -0.57 -0.26 0.00 -0.04 0.00 0.00 63.50 62.81 1dto n PRO 196 Cb 0.33 -1.49 -0.04 0.00 -0.04 0.00 0.00 33.50 32.26 1dto n PRO 196 CO 0.00 0.00 0.00 0.95 -0.04 0.00 0.00 175.50 176.41 1dto s THR 197 N -2.53 1.87 0.33 0.52 -4.23 -1.26 -5.10 115.64 105.24 1dto s THR 197 Ca 0.22 -1.63 -0.28 0.00 -1.18 0.00 0.00 61.69 58.82 1dto s THR 197 Cb 0.19 -2.50 -0.10 0.00 1.34 0.00 0.00 72.50 71.43 1dto s THR 197 CO 0.55 0.00 1.20 -0.44 -0.54 0.00 0.00 174.62 175.39 1dto s SER 198 N -4.07 6.86 -0.11 3.99 0.01 -1.26 -5.03 113.70 114.09 1dto s SER 198 Ca 0.33 2.46 -0.02 0.00 1.31 0.00 0.00 55.95 60.03 1dto s SER 198 Cb 0.00 -2.63 -0.03 0.00 0.21 0.00 0.00 66.02 63.57 1dto s SER 198 CO 0.19 -0.45 -0.02 -0.69 0.41 0.00 0.00 173.24 172.68 1dto s VAL 199 N -1.22 4.13 0.17 3.43 1.01 -1.26 -5.12 120.40 121.54 1dto s VAL 199 Ca 0.50 -0.30 0.09 0.00 0.00 0.00 0.00 61.98 62.27 1dto s VAL 199 Cb -0.35 -2.76 -0.04 0.00 0.00 0.00 0.00 36.38 33.23 1dto s VAL 199 CO 0.45 0.57 -0.19 -0.36 0.00 0.00 0.00 175.10 175.57 1dto s PHE 200 N -0.48 1.89 0.00 5.22 0.08 -1.26 -5.29 117.98 118.13 1dto s PHE 200 Ca 0.08 -0.45 0.00 0.00 0.12 0.00 0.00 56.93 56.68 1dto s PHE 200 Cb -0.12 -0.94 0.00 0.00 -0.57 0.00 0.00 43.02 41.39 1dto s PHE 200 CO 0.02 0.35 0.00 0.43 -0.10 0.00 0.00 175.22 175.92