#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3kti h ILE 19 N 0.00 1.54 -0.40 5.18 6.09 -2.06 -3.20 117.51 124.65 3kti h ILE 19 Ca 0.00 -2.97 -0.12 0.00 -1.37 0.00 0.00 64.86 60.40 3kti h ILE 19 Cb 0.00 2.75 -0.01 0.00 0.47 0.00 0.00 36.82 40.03 3kti h ILE 19 CO 0.00 0.86 -0.24 1.88 -3.07 0.00 0.00 178.15 177.59 3kti h TYR 20 N 0.08 0.94 0.00 2.19 0.05 -2.00 -1.92 116.97 116.32 3kti h TYR 20 Ca -0.08 -0.22 -0.03 0.00 0.05 0.00 0.00 58.73 58.45 3kti h TYR 20 Cb 1.77 -0.22 -0.00 0.00 1.01 0.00 0.00 36.73 39.29 3kti h TYR 20 CO 0.04 0.98 -0.14 1.03 -1.05 0.00 0.00 178.16 179.01 3kti h SER 21 N 0.71 0.00 0.49 3.88 0.87 -1.97 -0.07 113.55 117.46 3kti h SER 21 Ca 0.09 0.00 -0.14 0.00 -1.23 0.00 0.00 61.79 60.51 3kti h SER 21 Cb 0.77 0.00 -0.01 0.00 -0.44 0.00 0.00 62.40 62.71 3kti h SER 21 CO 0.06 0.14 -0.63 -0.09 -0.53 0.00 0.00 176.83 175.78 3kti h ARG 22 N 0.00 0.13 0.02 2.24 9.65 -1.36 -2.85 114.38 122.21 3kti h ARG 22 Ca -0.00 -0.10 -0.22 0.00 -1.10 0.00 0.00 59.98 58.56 3kti h ARG 22 Cb 0.28 0.02 -0.00 0.00 -1.39 0.00 0.00 29.97 28.87 3kti h ARG 22 CO 0.02 0.72 -0.97 -0.07 2.80 0.00 0.00 179.97 182.47 3kti h LEU 23 N 0.09 0.36 -1.35 3.80 -0.00 -0.56 -3.20 115.31 114.45 3kti h LEU 23 Ca -0.01 -0.31 -0.03 0.00 -0.00 0.00 0.00 57.88 57.53 3kti h LEU 23 Cb 1.14 -0.11 -0.02 0.00 -0.00 0.00 0.00 40.66 41.67 3kti h LEU 23 CO 0.09 1.14 0.12 0.25 -0.00 0.00 0.00 178.44 180.04 3kti h LEU 24 N 0.14 0.51 -1.43 1.67 5.85 -0.94 -0.31 115.31 120.79 3kti h LEU 24 Ca -0.07 -0.06 0.00 0.00 0.84 0.00 0.00 57.88 58.59 3kti h LEU 24 Cb 1.62 -0.13 0.00 0.00 0.37 0.00 0.00 40.66 42.52 3kti h LEU 24 CO 0.16 0.49 0.00 0.50 -0.34 0.00 0.00 178.44 179.25 3kti h LYS 25 N 0.55 0.00 -0.47 1.25 3.64 -1.50 0.47 116.57 120.51 3kti h LYS 25 Ca 0.13 0.00 0.00 0.00 -1.27 0.00 0.00 60.65 59.51 3kti h LYS 25 Cb 0.18 0.00 0.00 0.00 -0.41 0.00 0.00 32.23 32.00 3kti h LYS 25 CO -0.01 0.00 0.00 -0.25 -2.27 0.00 0.00 179.45 176.92 3kti n ASP 26 N -2.57 4.29 -2.22 4.20 9.92 -0.21 -4.95 116.55 125.01 3kti n ASP 26 Ca 0.00 -2.58 -0.17 0.00 -0.53 0.00 0.00 54.79 51.50 3kti n ASP 26 Cb 0.17 -0.52 0.01 0.00 -0.64 0.00 0.00 41.12 40.15 3kti n ASP 26 CO 0.00 0.00 0.00 0.54 0.13 0.00 0.00 177.20 177.87 3kti n ARG 27 N 0.49 -2.77 -3.97 -1.24 1.74 0.16 -4.88 116.66 106.19 3kti n ARG 27 Ca 0.22 0.77 -0.35 0.00 -0.77 0.00 0.00 57.85 57.72 3kti n ARG 27 Cb 0.84 -5.24 -0.13 0.00 -1.02 0.00 0.00 32.46 26.91 3kti n ARG 27 CO 0.00 0.00 0.00 0.42 -1.52 0.00 0.00 177.63 176.53 3kti s ILE 28 N -2.96 3.90 -0.15 0.55 1.01 -0.68 -1.09 121.20 121.78 3kti s ILE 28 Ca 0.13 -0.32 -0.04 0.00 0.00 0.00 0.00 60.65 60.42 3kti s ILE 28 Cb -0.06 -2.78 -0.03 0.00 0.01 0.00 0.00 42.46 39.60 3kti s ILE 28 CO 0.16 0.41 0.00 -0.63 0.00 0.00 0.00 174.94 174.88 3kti s ILE 29 N 1.24 4.26 -0.33 2.92 1.01 0.82 -3.36 121.20 127.77 3kti s ILE 29 Ca 0.04 -0.23 -0.11 0.00 0.00 0.00 0.00 60.65 60.34 3kti s ILE 29 Cb -0.15 -2.87 -0.01 0.00 0.01 0.00 0.00 42.46 39.45 3kti s ILE 29 CO 0.01 0.51 0.20 -0.04 0.00 0.00 0.00 174.94 175.62 3kti s MET 30 N 0.08 3.38 -0.74 2.79 -1.94 -1.26 -0.56 119.30 121.05 3kti s MET 30 Ca 0.02 -0.71 -0.06 0.00 -1.71 0.00 0.00 55.69 53.23 3kti s MET 30 Cb -0.13 -3.69 0.19 0.00 2.01 0.00 0.00 34.83 33.21 3kti s MET 30 CO 0.02 -0.45 0.61 -1.17 -0.01 0.00 0.00 175.02 174.02 3kti s LEU 31 N 1.66 5.78 -0.28 -0.03 0.20 0.51 -4.91 118.68 121.61 3kti s LEU 31 Ca 0.05 -2.95 0.08 0.00 0.69 0.00 0.00 54.13 52.00 3kti s LEU 31 Cb -0.17 -1.98 0.46 0.00 -0.43 0.00 0.00 46.19 44.07 3kti s LEU 31 CO 0.08 -0.40 1.19 0.61 -0.29 0.00 0.00 176.35 177.54 3kti n GLY 32 N 3.45 6.05 3.81 7.98 0.00 -1.26 -1.11 105.19 124.12 3kti n GLY 32 Ca 0.12 -2.51 -0.08 0.00 0.00 0.00 0.00 46.02 43.56 3kti n GLY 32 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 3kti s SER 33 N -3.59 -0.13 0.61 1.61 1.04 -1.21 -4.85 113.70 107.18 3kti s SER 33 Ca 0.49 -0.83 -0.19 0.00 0.48 0.00 0.00 55.95 55.89 3kti s SER 33 Cb 0.40 0.76 -0.02 0.00 0.10 0.00 0.00 66.02 67.25 3kti s SER 33 CO 0.03 -1.44 1.30 0.00 0.98 0.00 0.00 173.24 174.11 3kti s ALA 34 N -3.39 2.52 -0.33 5.32 0.00 -1.26 -4.53 121.76 120.10 3kti s ALA 34 Ca 0.14 1.23 -0.19 0.00 0.00 0.00 0.00 51.96 53.13 3kti s ALA 34 Cb -0.05 -3.55 -0.01 0.00 0.00 0.00 0.00 23.12 19.52 3kti s ALA 34 CO 0.09 -1.48 0.57 0.42 0.00 0.00 0.00 175.76 175.36 3kti s ILE 35 N -1.39 4.97 0.36 0.00 1.01 0.95 -4.87 121.20 122.23 3kti s ILE 35 Ca 0.79 0.59 0.04 0.00 0.00 0.00 0.00 60.65 62.07 3kti s ILE 35 Cb -0.38 -3.98 -0.04 0.00 0.01 0.00 0.00 42.46 38.08 3kti s ILE 35 CO 0.41 -0.18 0.13 1.51 0.00 0.00 0.00 174.94 176.81 3kti s ASP 36 N 1.71 2.29 0.40 3.58 1.47 -1.26 -0.46 116.67 124.40 3kti s ASP 36 Ca 0.22 -1.58 0.14 0.00 1.18 0.00 0.00 52.55 52.51 3kti s ASP 36 Cb -0.15 0.36 0.98 0.00 -0.34 0.00 0.00 42.92 43.77 3kti s ASP 36 CO 0.13 -0.86 1.89 0.44 0.68 0.00 0.00 175.17 177.45 3kti h ASP 37 N 1.99 0.48 0.12 2.11 3.45 -1.96 -0.50 116.42 122.12 3kti h ASP 37 Ca -0.36 0.03 -0.01 0.00 0.43 0.00 0.00 57.03 57.13 3kti h ASP 37 Cb 1.26 -0.06 0.00 0.00 -0.56 0.00 0.00 39.33 39.97 3kti h ASP 37 CO 0.57 0.23 -0.06 0.78 -1.57 0.00 0.00 179.24 179.20 3kti h ASN 38 N 0.51 -0.14 -0.71 6.45 -0.26 -1.98 0.75 115.58 120.20 3kti h ASN 38 Ca 0.42 -0.19 -0.01 0.00 -0.56 0.00 0.00 56.30 55.97 3kti h ASN 38 Cb 0.89 0.04 -0.03 0.00 -1.06 0.00 0.00 38.32 38.15 3kti h ASN 38 CO -0.16 0.11 0.42 0.58 -1.06 0.00 0.00 177.43 177.33 3kti h VAL 39 N -0.39 1.21 0.07 2.81 2.07 -1.74 -1.62 116.25 118.65 3kti h VAL 39 Ca -0.02 -0.46 -0.00 0.00 0.82 0.00 0.00 66.70 67.04 3kti h VAL 39 Cb 0.32 0.23 0.00 0.00 -1.52 0.00 0.00 31.29 30.31 3kti h VAL 39 CO 0.03 0.22 -0.03 0.00 0.02 0.00 0.00 177.57 177.80 3kti h ALA 40 N 1.22 -0.09 -0.84 1.67 0.00 -1.01 -0.72 119.26 119.49 3kti h ALA 40 Ca 0.25 -0.03 0.05 0.00 0.00 0.00 0.00 54.91 55.18 3kti h ALA 40 Cb -0.02 0.04 -0.05 0.00 0.00 0.00 0.00 17.79 17.75 3kti h ALA 40 CO -0.05 -0.54 0.55 -0.91 0.00 0.00 0.00 179.25 178.30 3kti h ASN 41 N -0.11 0.87 -0.06 0.00 -0.26 -0.62 0.97 115.58 116.36 3kti h ASN 41 Ca -0.01 -0.00 -0.02 0.00 -0.56 0.00 0.00 56.30 55.71 3kti h ASN 41 Cb 0.09 -0.19 -0.00 0.00 -1.06 0.00 0.00 38.32 37.15 3kti h ASN 41 CO 0.02 0.58 -0.03 -1.28 -1.06 0.00 0.00 177.43 175.66 3kti h SER 42 N 1.00 0.13 -0.71 5.81 0.87 -0.99 -2.24 113.55 117.42 3kti h SER 42 Ca 0.35 -0.41 -0.06 0.00 -1.23 0.00 0.00 61.79 60.44 3kti h SER 42 Cb 0.11 -0.04 -0.03 0.00 -0.44 0.00 0.00 62.40 62.01 3kti h SER 42 CO -0.11 0.51 0.20 0.40 -0.53 0.00 0.00 176.83 177.29 3kti h ILE 43 N -0.25 1.26 -0.81 2.23 2.04 -0.77 -1.55 117.51 119.66 3kti h ILE 43 Ca 0.01 -0.93 0.03 0.00 1.00 0.00 0.00 64.86 64.98 3kti h ILE 43 Cb 0.46 0.51 -0.05 0.00 -0.74 0.00 0.00 36.82 37.00 3kti h ILE 43 CO 0.01 0.36 0.52 0.58 0.00 0.00 0.00 178.15 179.61 3kti h VAL 44 N 1.06 1.12 -0.58 1.67 2.07 -0.83 -0.67 116.25 120.09 3kti h VAL 44 Ca 0.23 -0.34 -0.01 0.00 0.82 0.00 0.00 66.70 67.39 3kti h VAL 44 Cb 0.33 0.03 -0.03 0.00 -1.52 0.00 0.00 31.29 30.11 3kti h VAL 44 CO -0.00 0.18 0.31 0.28 0.02 0.00 0.00 177.57 178.36 3kti h SER 45 N 1.00 0.73 -0.60 0.57 0.02 -0.80 -1.59 113.55 112.88 3kti h SER 45 Ca 0.33 -0.10 -0.08 0.00 -0.84 0.00 0.00 61.79 61.09 3kti h SER 45 Cb 0.02 -0.19 -0.02 0.00 0.14 0.00 0.00 62.40 62.36 3kti h SER 45 CO -0.12 0.62 0.06 1.56 -1.14 0.00 0.00 176.83 177.81 3kti h GLN 46 N 0.78 1.02 -0.71 3.45 4.20 -0.76 0.03 115.11 123.12 3kti h GLN 46 Ca 0.20 -0.30 -0.02 0.00 0.06 0.00 0.00 58.65 58.60 3kti h GLN 46 Cb 0.06 -0.11 -0.03 0.00 0.30 0.00 0.00 27.48 27.70 3kti h GLN 46 CO -0.03 0.98 0.36 -0.07 -0.67 0.00 0.00 178.83 179.40 3kti h LEU 47 N 0.92 0.90 -0.56 1.46 3.38 -0.86 0.68 115.31 121.23 3kti h LEU 47 Ca 0.18 -0.12 -0.14 0.00 0.09 0.00 0.00 57.88 57.89 3kti h LEU 47 Cb 0.48 -0.23 -0.01 0.00 0.09 0.00 0.00 40.66 40.99 3kti h LEU 47 CO 0.02 0.76 -0.39 -0.07 0.09 0.00 0.00 178.44 178.85 3kti h LEU 48 N 0.98 0.77 0.52 1.67 3.38 -1.10 -1.54 115.31 119.97 3kti h LEU 48 Ca 0.25 -0.34 -0.03 0.00 0.09 0.00 0.00 57.88 57.85 3kti h LEU 48 Cb 0.08 -0.21 0.01 0.00 0.09 0.00 0.00 40.66 40.62 3kti h LEU 48 CO -0.04 1.07 -0.25 0.15 0.09 0.00 0.00 178.44 179.46 3kti h PHE 49 N 0.59 -0.65 -0.53 1.13 3.57 -0.52 -1.74 116.94 118.80 3kti h PHE 49 Ca 0.05 -0.02 -0.00 0.00 3.53 0.00 0.00 57.97 61.53 3kti h PHE 49 Cb 0.93 0.21 -0.03 0.00 2.79 0.00 0.00 35.95 39.86 3kti h PHE 49 CO 0.05 -0.35 0.32 -0.07 -2.23 0.00 0.00 178.31 176.03 3kti h LEU 50 N -0.83 0.62 -1.35 0.59 3.38 -0.90 0.65 115.31 117.46 3kti h LEU 50 Ca -0.07 -0.03 -0.06 0.00 0.09 0.00 0.00 57.88 57.81 3kti h LEU 50 Cb 0.59 -0.16 -0.01 0.00 0.09 0.00 0.00 40.66 41.17 3kti h LEU 50 CO 0.12 0.48 -0.22 0.00 0.09 0.00 0.00 178.44 178.91 3kti h ALA 51 N 1.63 1.47 0.17 1.53 0.00 -1.15 -1.71 119.26 121.20 3kti h ALA 51 Ca 0.19 -0.25 -0.30 0.00 0.00 0.00 0.00 54.91 54.55 3kti h ALA 51 Cb -0.03 -0.07 0.02 0.00 0.00 0.00 0.00 17.79 17.70 3kti h ALA 51 CO -0.04 0.38 -1.33 0.00 0.00 0.00 0.00 179.25 178.27 3kti h ALA 52 N 1.64 -0.00 -0.68 0.00 0.00 -0.22 -2.42 119.26 117.57 3kti h ALA 52 Ca 0.03 -0.87 0.00 0.00 0.00 0.00 0.00 54.91 54.07 3kti h ALA 52 Cb 0.47 0.08 -0.03 0.00 0.00 0.00 0.00 17.79 18.31 3kti h ALA 52 CO 0.03 0.85 0.43 0.93 0.00 0.00 0.00 179.25 181.49 3kti h GLU 53 N 0.11 0.92 -0.81 0.00 4.39 -0.57 -3.41 114.58 115.21 3kti h GLU 53 Ca -0.18 -0.07 0.05 0.00 0.34 0.00 0.00 59.36 59.49 3kti h GLU 53 Cb 2.04 -0.20 -0.20 0.00 -0.10 0.00 0.00 28.75 30.29 3kti h GLU 53 CO 0.23 0.64 -0.31 0.34 -1.16 0.00 0.00 179.01 178.75 3kti s ASP 54 N -5.88 -1.31 0.00 1.42 -1.08 -0.67 -5.02 116.67 104.13 3kti s ASP 54 Ca -0.13 -0.09 0.08 0.00 -0.52 0.00 0.00 52.55 51.90 3kti s ASP 54 Cb 0.14 1.77 0.50 0.00 -1.46 0.00 0.00 42.92 43.87 3kti s ASP 54 CO 0.78 -0.21 0.92 -0.81 0.52 0.00 0.00 175.17 176.36 3kti n PRO 55 N 5.01 0.35 -0.11 4.34 -0.04 -0.91 -2.93 135.00 140.70 3kti n PRO 55 Ca 0.07 0.00 -0.20 0.00 -0.04 0.00 0.00 63.50 63.33 3kti n PRO 55 Cb 0.56 -1.38 -0.09 0.00 -0.04 0.00 0.00 33.50 32.55 3kti n PRO 55 CO 0.00 0.00 0.00 0.39 -0.04 0.00 0.00 175.50 175.85 3kti n GLU 56 N -0.88 0.51 -1.70 0.54 -0.58 -1.26 -3.32 120.64 113.95 3kti n GLU 56 Ca 0.06 0.17 -0.44 0.00 -0.42 0.00 0.00 57.16 56.54 3kti n GLU 56 Cb 0.03 -1.37 -0.03 0.00 -0.57 0.00 0.00 31.44 29.50 3kti n GLU 56 CO 0.00 0.00 0.00 1.63 -0.48 0.00 0.00 177.13 178.28 3kti n LYS 57 N -3.62 2.44 -1.32 3.49 4.76 -1.15 -4.72 118.16 118.04 3kti n LYS 57 Ca -0.42 0.88 -0.32 0.00 -2.87 0.00 0.00 58.31 55.58 3kti n LYS 57 Cb 0.86 -2.65 0.09 0.00 -1.84 0.00 0.00 35.03 31.49 3kti n LYS 57 CO 0.00 0.00 0.00 -1.83 -1.37 0.00 0.00 177.40 174.20 3kti s GLU 58 N 0.33 2.24 -0.02 1.97 -1.05 -1.26 -4.56 118.70 116.33 3kti s GLU 58 Ca 0.72 1.29 0.07 0.00 -0.15 0.00 0.00 54.97 56.90 3kti s GLU 58 Cb -0.58 -1.89 -0.02 0.00 -0.44 0.00 0.00 34.13 31.21 3kti s GLU 58 CO 0.42 -1.67 -0.23 0.42 0.95 0.00 0.00 175.26 175.14 3kti s ILE 59 N -2.70 1.83 -0.22 1.83 1.01 -0.38 -4.91 121.20 117.66 3kti s ILE 59 Ca 0.64 -0.98 -0.04 0.00 0.00 0.00 0.00 60.65 60.26 3kti s ILE 59 Cb -0.19 -1.53 -0.01 0.00 0.01 0.00 0.00 42.46 40.74 3kti s ILE 59 CO 0.52 0.52 -0.03 -0.44 0.00 0.00 0.00 174.94 175.51 3kti s SER 60 N -0.46 4.40 -0.37 3.58 0.01 -0.25 0.30 113.70 120.90 3kti s SER 60 Ca 0.07 -0.36 -0.11 0.00 1.31 0.00 0.00 55.95 56.86 3kti s SER 60 Cb -0.10 -1.76 0.03 0.00 0.21 0.00 0.00 66.02 64.40 3kti s SER 60 CO -0.00 -0.01 0.21 -0.22 0.41 0.00 0.00 173.24 173.63 3kti s LEU 61 N 1.41 4.72 -0.10 2.44 2.96 0.12 -0.13 118.68 130.11 3kti s LEU 61 Ca 0.05 -0.98 -0.23 0.00 -0.22 0.00 0.00 54.13 52.76 3kti s LEU 61 Cb -0.14 -2.03 -0.03 0.00 0.50 0.00 0.00 46.19 44.48 3kti s LEU 61 CO -0.02 -0.38 0.68 -0.31 -1.32 0.00 0.00 176.35 174.99 3kti s TYR 62 N 1.56 3.53 -0.15 5.38 1.51 0.28 -1.42 117.35 128.04 3kti s TYR 62 Ca 0.02 1.16 0.02 0.00 -1.01 0.00 0.00 57.07 57.26 3kti s TYR 62 Cb -0.19 -2.79 0.02 0.00 -0.11 0.00 0.00 41.96 38.88 3kti s TYR 62 CO 0.07 0.03 -0.19 0.42 -1.11 0.00 0.00 175.55 174.77 3kti s ILE 63 N 1.06 1.85 -0.43 2.71 1.01 0.40 -0.36 121.20 127.44 3kti s ILE 63 Ca 0.35 -0.83 0.05 0.00 0.00 0.00 0.00 60.65 60.21 3kti s ILE 63 Cb -0.17 -1.67 0.17 0.00 0.01 0.00 0.00 42.46 40.80 3kti s ILE 63 CO 0.16 0.51 0.46 0.21 0.00 0.00 0.00 174.94 176.27 3kti s ASN 64 N 1.11 0.54 0.06 3.58 2.47 -0.27 -0.67 114.94 121.76 3kti s ASN 64 Ca -0.01 -2.25 -0.10 0.00 0.42 0.00 0.00 52.86 50.92 3kti s ASN 64 Cb -0.14 0.52 0.01 0.00 -1.45 0.00 0.00 41.25 40.18 3kti s ASN 64 CO -0.07 -0.16 0.22 -0.94 -3.72 0.00 0.00 177.10 172.43 3kti s SER 65 N 0.70 0.03 0.00 -4.21 1.04 -0.11 -3.36 113.70 107.79 3kti s SER 65 Ca 0.27 -0.45 0.24 0.00 0.48 0.00 0.00 55.95 56.49 3kti s SER 65 Cb -0.03 0.33 1.00 0.00 0.10 0.00 0.00 66.02 67.42 3kti s SER 65 CO -0.10 -0.65 1.70 -0.81 0.98 0.00 0.00 173.24 174.35 3kti n PRO 66 N 0.32 1.56 0.00 4.02 -0.04 -1.26 -1.85 135.00 137.75 3kti n PRO 66 Ca -0.17 -0.82 0.00 0.00 -0.04 0.00 0.00 63.50 62.47 3kti n PRO 66 Cb 0.61 -1.42 0.00 0.00 -0.04 0.00 0.00 33.50 32.65 3kti n PRO 66 CO 0.00 0.00 0.00 0.41 -0.04 0.00 0.00 175.50 175.87 3kti n GLY 67 N 1.09 -0.62 0.00 0.55 0.00 -1.12 -4.37 105.19 100.72 3kti n GLY 67 Ca 0.18 -1.73 0.00 0.00 0.00 0.00 0.00 46.02 44.47 3kti n GLY 67 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3kti n GLY 68 N 0.00 -0.36 3.73 -0.02 0.00 -1.26 -0.04 105.19 107.24 3kti n GLY 68 Ca 0.00 -0.51 -0.42 0.00 0.00 0.00 0.00 46.02 45.09 3kti n GLY 68 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 3kti s SER 69 N -4.00 6.43 0.05 1.61 0.15 0.39 -4.75 113.70 113.59 3kti s SER 69 Ca 0.00 2.82 -0.22 0.00 0.70 0.00 0.00 55.95 59.25 3kti s SER 69 Cb 0.00 -2.61 -0.14 0.00 -1.71 0.00 0.00 66.02 61.56 3kti s SER 69 CO 0.00 -0.92 1.50 0.40 1.20 0.00 0.00 173.24 175.42 3kti h ILE 70 N 3.76 1.22 -0.64 6.45 2.04 -1.98 0.53 117.51 128.89 3kti h ILE 70 Ca -0.44 -0.70 -0.04 0.00 1.00 0.00 0.00 64.86 64.68 3kti h ILE 70 Cb 1.21 1.52 -0.03 0.00 -0.74 0.00 0.00 36.82 38.77 3kti h ILE 70 CO 0.91 0.20 0.23 0.71 0.00 0.00 0.00 178.15 180.20 3kti h THR 71 N -0.09 1.23 -0.46 -0.27 1.35 -1.99 0.14 112.91 112.82 3kti h THR 71 Ca 0.03 -0.77 -0.07 0.00 -0.55 0.00 0.00 66.41 65.04 3kti h THR 71 Cb 0.30 0.50 -0.02 0.00 -1.73 0.00 0.00 68.15 67.20 3kti h THR 71 CO 0.00 0.30 -0.00 0.00 -0.25 0.00 0.00 175.52 175.57 3kti h ALA 72 N 1.31 0.62 -0.79 6.62 0.00 -1.89 -1.74 119.26 123.38 3kti h ALA 72 Ca 0.21 -0.28 -0.02 0.00 0.00 0.00 0.00 54.91 54.83 3kti h ALA 72 Cb 0.23 -0.17 -0.04 0.00 0.00 0.00 0.00 17.79 17.82 3kti h ALA 72 CO -0.01 0.42 0.41 0.78 0.00 0.00 0.00 179.25 180.84 3kti h GLY 73 N 0.66 1.19 2.00 0.00 0.00 -0.22 -2.53 103.07 104.17 3kti h GLY 73 Ca 0.13 -0.57 -0.08 0.00 0.00 0.00 0.00 47.33 46.81 3kti h GLY 73 CO 0.02 0.54 -0.38 -0.33 0.00 0.00 0.00 176.54 176.40 3kti h MET 74 N 1.10 0.00 -0.72 4.80 2.86 -0.55 -1.06 114.93 121.36 3kti h MET 74 Ca 0.27 0.00 -0.06 0.00 -2.06 0.00 0.00 59.70 57.85 3kti h MET 74 Cb 0.07 0.00 -0.03 0.00 0.06 0.00 0.00 31.60 31.70 3kti h MET 74 CO -0.04 0.38 0.22 0.00 1.06 0.00 0.00 176.91 178.52 3kti h ALA 75 N 1.62 1.01 -0.23 6.32 0.00 -0.90 0.13 119.26 127.22 3kti h ALA 75 Ca -0.00 -0.23 -0.10 0.00 0.00 0.00 0.00 54.91 54.58 3kti h ALA 75 Cb 0.70 -0.28 -0.00 0.00 0.00 0.00 0.00 17.79 18.21 3kti h ALA 75 CO 0.05 0.66 -0.24 0.82 0.00 0.00 0.00 179.25 180.53 3kti h ILE 76 N 1.08 1.32 -0.26 0.00 2.04 -1.17 -2.72 117.51 117.80 3kti h ILE 76 Ca 0.23 -1.42 0.02 0.00 1.00 0.00 0.00 64.86 64.70 3kti h ILE 76 Cb 0.32 1.72 -0.03 0.00 -0.74 0.00 0.00 36.82 38.09 3kti h ILE 76 CO -0.01 0.44 0.10 0.22 0.00 0.00 0.00 178.15 178.90 3kti h TYR 77 N 0.26 0.18 -0.08 1.37 3.20 -0.85 -1.13 116.97 119.92 3kti h TYR 77 Ca 0.03 0.01 -0.06 0.00 3.14 0.00 0.00 58.73 61.86 3kti h TYR 77 Cb 0.80 -0.04 -0.01 0.00 1.54 0.00 0.00 36.73 39.02 3kti h TYR 77 CO 0.08 0.09 -0.21 -0.44 -1.64 0.00 0.00 178.16 176.03 3kti h ASP 78 N 0.22 0.12 0.12 -2.11 3.45 -0.78 -2.20 116.42 115.25 3kti h ASP 78 Ca 0.11 -0.03 -0.23 0.00 0.43 0.00 0.00 57.03 57.31 3kti h ASP 78 Cb 0.07 -0.03 0.01 0.00 -0.56 0.00 0.00 39.33 38.81 3kti h ASP 78 CO -0.10 0.35 -0.91 0.74 -1.57 0.00 0.00 179.24 177.74 3kti h THR 79 N 0.12 1.33 -0.60 0.35 2.02 -1.12 -0.93 112.91 114.09 3kti h THR 79 Ca 0.02 -2.24 -0.01 0.00 0.77 0.00 0.00 66.41 64.95 3kti h THR 79 Cb 0.45 2.27 -0.03 0.00 -1.74 0.00 0.00 68.15 69.11 3kti h THR 79 CO 0.03 0.69 0.35 0.24 0.37 0.00 0.00 175.52 177.20 3kti h MET 80 N 0.35 0.82 -0.22 6.66 2.86 -0.94 -2.36 114.93 122.10 3kti h MET 80 Ca -0.08 -0.08 -0.14 0.00 -2.06 0.00 0.00 59.70 57.33 3kti h MET 80 Cb 1.55 -0.17 -0.01 0.00 0.06 0.00 0.00 31.60 33.03 3kti h MET 80 CO 0.17 0.60 -0.46 1.96 1.06 0.00 0.00 176.91 180.24 3kti h GLN 81 N 0.81 0.57 -0.33 1.72 1.08 -1.36 -3.30 115.11 114.29 3kti h GLN 81 Ca 0.21 -0.31 -0.09 0.00 -1.45 0.00 0.00 58.65 57.01 3kti h GLN 81 Cb -0.00 0.02 -0.01 0.00 -0.05 0.00 0.00 27.48 27.44 3kti h GLN 81 CO -0.04 0.91 -0.15 0.35 -0.95 0.00 0.00 178.83 178.95 3kti h PHE 82 N 0.45 0.79 -4.21 2.96 3.57 -0.87 -3.45 116.94 116.19 3kti h PHE 82 Ca 0.03 -0.19 -0.51 0.00 3.53 0.00 0.00 57.97 60.82 3kti h PHE 82 Cb 0.98 -0.18 0.10 0.00 2.79 0.00 0.00 35.95 39.64 3kti h PHE 82 CO 0.04 0.90 0.37 0.96 -2.23 0.00 0.00 178.31 178.35 3kti s ILE 83 N -4.63 3.26 0.03 1.41 -4.36 -0.91 -4.99 121.20 111.01 3kti s ILE 83 Ca -0.13 0.57 -0.20 0.00 -0.26 0.00 0.00 60.65 60.63 3kti s ILE 83 Cb 0.09 -3.09 -0.15 0.00 1.25 0.00 0.00 42.46 40.56 3kti s ILE 83 CO 0.81 -0.38 1.31 0.50 0.24 0.00 0.00 174.94 177.42 3kti h LYS 84 N -0.08 0.37 -6.71 0.37 1.63 -1.88 -3.45 116.57 106.82 3kti h LYS 84 Ca -0.46 -0.21 -0.57 0.00 -0.85 0.00 0.00 60.65 58.55 3kti h LYS 84 Cb 1.24 0.02 0.11 0.00 -0.60 0.00 0.00 32.23 33.00 3kti h LYS 84 CO 0.54 0.79 0.45 -2.30 -3.45 0.00 0.00 179.45 175.48 3kti n PRO 85 N -4.51 2.00 -2.69 1.90 -0.02 -1.21 -4.94 135.00 125.54 3kti n PRO 85 Ca -0.07 0.70 -0.41 0.00 -2.02 0.00 0.00 63.50 61.70 3kti n PRO 85 Cb 0.40 -2.25 -0.04 0.00 -0.02 0.00 0.00 33.50 31.59 3kti n PRO 85 CO 0.00 0.00 0.00 0.15 1.98 0.00 0.00 175.50 177.63 3kti s LYS 86 N -1.84 4.63 -0.30 -0.52 1.02 -1.26 -4.84 119.74 116.62 3kti s LYS 86 Ca 0.56 1.48 -0.10 0.00 0.02 0.00 0.00 55.97 57.93 3kti s LYS 86 Cb -0.59 -3.39 -0.02 0.00 -0.52 0.00 0.00 37.83 33.31 3kti s LYS 86 CO 0.62 0.09 0.16 0.08 -0.92 0.00 0.00 175.35 175.38 3kti s VAL 87 N 0.36 4.77 0.27 3.17 1.01 -1.26 -1.25 120.40 127.47 3kti s VAL 87 Ca 0.49 -0.28 -0.15 0.00 0.00 0.00 0.00 61.98 62.04 3kti s VAL 87 Cb -0.23 -3.39 -0.08 0.00 0.00 0.00 0.00 36.38 32.67 3kti s VAL 87 CO 0.30 0.11 0.69 -0.44 0.00 0.00 0.00 175.10 175.75 3kti s SER 88 N 1.65 6.82 -0.02 3.32 0.01 0.15 -0.17 113.70 125.46 3kti s SER 88 Ca 0.05 1.24 0.06 0.00 1.31 0.00 0.00 55.95 58.61 3kti s SER 88 Cb -0.17 -2.35 -0.01 0.00 0.21 0.00 0.00 66.02 63.70 3kti s SER 88 CO 0.07 -0.10 -0.19 0.42 0.41 0.00 0.00 173.24 173.85 3kti s THR 89 N -1.81 1.52 -0.10 1.44 -4.23 -0.89 0.14 115.64 111.71 3kti s THR 89 Ca 0.49 -0.81 0.01 0.00 -1.18 0.00 0.00 61.69 60.20 3kti s THR 89 Cb -0.12 -1.28 0.02 0.00 1.34 0.00 0.00 72.50 72.46 3kti s THR 89 CO 0.19 0.43 -0.10 -0.63 -0.54 0.00 0.00 174.62 173.97 3kti s ILE 90 N -0.33 1.17 -0.35 2.99 1.01 -0.51 -0.04 121.20 125.14 3kti s ILE 90 Ca 0.05 -0.42 -0.23 0.00 0.00 0.00 0.00 60.65 60.04 3kti s ILE 90 Cb -0.09 -1.13 0.01 0.00 0.01 0.00 0.00 42.46 41.26 3kti s ILE 90 CO 0.00 0.38 0.79 0.00 0.00 0.00 0.00 174.94 176.11 3kti s ILE 92 N 3.08 2.51 0.00 0.00 1.01 0.15 -2.25 121.20 125.70 3kti s ILE 92 Ca 0.32 -0.79 0.00 0.00 0.00 0.00 0.00 60.65 60.17 3kti s ILE 92 Cb -0.13 -2.08 0.00 0.00 0.01 0.00 0.00 42.46 40.25 3kti s ILE 92 CO 0.16 0.50 0.00 0.61 0.00 0.00 0.00 174.94 176.21 3kti n GLY 93 N 4.59 2.01 3.10 6.18 0.00 -1.26 -4.06 105.19 115.75 3kti n GLY 93 Ca -0.20 0.14 -0.12 0.00 0.00 0.00 0.00 46.02 45.83 3kti n GLY 93 CO 0.00 0.00 0.00 -0.29 0.00 0.00 0.00 173.32 173.03 3kti s MET 94 N 0.00 0.25 -0.38 1.61 -2.45 -1.26 -0.57 119.30 116.50 3kti s MET 94 Ca 0.00 0.51 0.02 0.00 -1.25 0.00 0.00 55.69 54.97 3kti s MET 94 Cb 0.00 -0.03 0.11 0.00 1.25 0.00 0.00 34.83 36.16 3kti s MET 94 CO 0.00 -0.13 0.14 0.00 1.05 0.00 0.00 175.02 176.08 3kti s ALA 95 N 0.95 2.42 0.11 4.11 0.00 -0.34 -0.94 121.76 128.07 3kti s ALA 95 Ca -0.07 -2.43 0.06 0.00 0.00 0.00 0.00 51.96 49.53 3kti s ALA 95 Cb -0.08 -1.89 -0.04 0.00 0.00 0.00 0.00 23.12 21.12 3kti s ALA 95 CO -0.06 -1.82 -0.04 0.00 0.00 0.00 0.00 175.76 173.84 3kti s ALA 96 N 0.79 3.15 0.00 0.00 0.00 -0.77 -1.97 121.76 122.96 3kti s ALA 96 Ca 0.13 -1.22 0.00 0.00 0.00 0.00 0.00 51.96 50.87 3kti s ALA 96 Cb -0.21 -1.04 0.00 0.00 0.00 0.00 0.00 23.12 21.87 3kti s ALA 96 CO -0.10 0.63 0.00 0.45 0.00 0.00 0.00 175.76 176.75 3kti n SER 97 N 0.46 0.00 0.33 0.00 2.88 0.11 -0.22 113.62 117.19 3kti n SER 97 Ca -0.11 0.00 0.21 0.00 -1.33 0.00 0.00 58.87 57.63 3kti n SER 97 Cb 0.53 0.00 1.13 0.00 -0.75 0.00 0.00 64.21 65.12 3kti n SER 97 CO 0.00 0.00 0.00 0.24 -1.23 0.00 0.00 175.04 174.05 3kti h MET 98 N 0.00 0.00 -0.29 -1.46 0.00 -1.85 0.11 114.93 111.45 3kti h MET 98 Ca 0.00 0.00 -0.18 0.00 0.00 0.00 0.00 59.70 59.52 3kti h MET 98 Cb 0.00 0.00 -0.00 0.00 0.00 0.00 0.00 31.60 31.60 3kti h MET 98 CO 0.00 0.00 -0.52 0.78 0.00 0.00 0.00 176.91 177.17 3kti h GLY 99 N 0.11 0.91 1.19 8.32 0.00 -0.89 -1.36 103.07 111.34 3kti h GLY 99 Ca -0.00 -1.04 -0.19 0.00 0.00 0.00 0.00 47.33 46.11 3kti h GLY 99 CO 0.00 0.93 -0.57 0.00 0.00 0.00 0.00 176.54 176.91 3kti h ALA 100 N 0.76 0.47 -0.70 3.60 0.00 -0.78 -1.72 119.26 120.88 3kti h ALA 100 Ca 0.02 -0.52 0.07 0.00 0.00 0.00 0.00 54.91 54.48 3kti h ALA 100 Cb 1.12 -0.07 -0.06 0.00 0.00 0.00 0.00 17.79 18.77 3kti h ALA 100 CO 0.11 0.68 0.38 0.35 0.00 0.00 0.00 179.25 180.78 3kti h PHE 101 N 0.65 0.69 -0.01 0.00 3.57 -0.84 0.97 116.94 121.96 3kti h PHE 101 Ca 0.01 0.03 -0.13 0.00 3.53 0.00 0.00 57.97 61.41 3kti h PHE 101 Cb 1.17 -0.21 -0.02 0.00 2.79 0.00 0.00 35.95 39.69 3kti h PHE 101 CO 0.07 0.30 -0.59 -0.07 -2.23 0.00 0.00 178.31 175.79 3kti h LEU 102 N 0.67 0.03 -0.10 0.59 3.38 -1.11 -1.94 115.31 116.84 3kti h LEU 102 Ca 0.33 -0.02 -0.01 0.00 0.09 0.00 0.00 57.88 58.27 3kti h LEU 102 Cb 0.27 -0.01 -0.00 0.00 0.09 0.00 0.00 40.66 41.00 3kti h LEU 102 CO -0.22 0.62 0.03 0.25 0.09 0.00 0.00 178.44 179.21 3kti h LEU 103 N 0.02 0.15 -0.91 1.67 5.85 -0.30 -2.49 115.31 119.29 3kti h LEU 103 Ca -0.01 -0.21 0.00 0.00 0.84 0.00 0.00 57.88 58.51 3kti h LEU 103 Cb 1.06 -0.04 0.00 0.00 0.37 0.00 0.00 40.66 42.05 3kti h LEU 103 CO 0.08 0.32 0.00 0.00 -0.34 0.00 0.00 178.44 178.50 3kti h ALA 104 N 0.84 1.00 -0.01 1.25 0.00 -0.71 -2.64 119.26 118.99 3kti h ALA 104 Ca 0.03 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.94 3kti h ALA 104 Cb 0.22 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.01 3kti h ALA 104 CO -0.00 0.00 -0.09 0.00 0.00 0.00 0.00 179.25 179.16 3kti n ALA 105 N -1.82 2.76 -1.26 0.00 0.00 -0.74 -4.89 120.51 114.55 3kti n ALA 105 Ca 0.01 -0.35 -0.32 0.00 0.00 0.00 0.00 53.44 52.78 3kti n ALA 105 Cb 0.22 -1.26 0.09 0.00 0.00 0.00 0.00 19.45 18.50 3kti n ALA 105 CO 0.00 0.00 0.00 0.20 0.00 0.00 0.00 177.50 177.70 3kti s GLY 106 N -2.25 2.01 0.16 0.00 0.00 -1.00 -4.88 107.32 101.35 3kti s GLY 106 Ca 0.34 0.58 -0.32 0.00 0.00 0.00 0.00 44.72 45.31 3kti s GLY 106 CO 0.42 0.95 0.94 -2.21 0.00 0.00 0.00 173.10 173.21 3kti n GLU 107 N -3.10 0.61 -1.76 2.90 4.07 0.77 -4.78 120.64 119.35 3kti n GLU 107 Ca 0.11 0.22 -0.42 0.00 -0.06 0.00 0.00 57.16 57.01 3kti n GLU 107 Cb 0.52 -1.56 -0.03 0.00 -0.06 0.00 0.00 31.44 30.31 3kti n GLU 107 CO 0.00 0.00 0.00 0.21 -0.06 0.00 0.00 177.13 177.28 3kti s LYS 108 N -0.61 4.14 0.00 5.31 2.47 -1.26 -0.95 119.74 128.83 3kti s LYS 108 Ca 0.73 2.57 0.00 0.00 -1.56 0.00 0.00 55.97 57.71 3kti s LYS 108 Cb -0.94 -3.08 0.00 0.00 -1.46 0.00 0.00 37.83 32.35 3kti s LYS 108 CO 0.55 -0.72 0.00 0.41 0.16 0.00 0.00 175.35 175.75 3kti n GLY 109 N 3.73 3.31 1.63 5.54 0.00 -1.26 -4.87 105.19 113.28 3kti n GLY 109 Ca 0.15 0.00 -0.16 0.00 0.00 0.00 0.00 46.02 46.01 3kti n GLY 109 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 3kti n LYS 110 N -1.95 2.59 -3.81 1.61 5.02 -0.13 -4.80 118.16 116.70 3kti n LYS 110 Ca 0.00 -3.57 -0.36 0.00 -2.02 0.00 0.00 58.31 52.35 3kti n LYS 110 Cb 0.00 -2.05 -0.13 0.00 -0.02 0.00 0.00 35.03 32.83 3kti n LYS 110 CO 0.00 0.00 0.00 1.03 -0.52 0.00 0.00 177.40 177.91 3kti s ARG 111 N -3.47 3.12 0.40 1.97 0.52 -1.23 -2.09 118.95 118.16 3kti s ARG 111 Ca 0.50 -0.83 0.07 0.00 -0.52 0.00 0.00 55.73 54.96 3kti s ARG 111 Cb 0.42 -3.26 -0.07 0.00 0.52 0.00 0.00 34.95 32.56 3kti s ARG 111 CO 0.01 -0.39 0.05 0.71 0.02 0.00 0.00 175.30 175.69 3kti s TYR 112 N 1.47 2.54 -0.14 -0.53 1.51 0.94 -0.30 117.35 122.83 3kti s TYR 112 Ca 0.03 -0.61 -0.16 0.00 -1.01 0.00 0.00 57.07 55.31 3kti s TYR 112 Cb -0.17 -1.78 0.04 0.00 -0.11 0.00 0.00 41.96 39.95 3kti s TYR 112 CO 0.01 0.39 0.44 0.00 -1.11 0.00 0.00 175.55 175.28 3kti s ALA 113 N -2.66 -1.09 0.55 3.71 0.00 -1.00 -0.69 121.76 120.58 3kti s ALA 113 Ca 0.36 1.15 -0.17 0.00 0.00 0.00 0.00 51.96 53.30 3kti s ALA 113 Cb 0.07 -0.60 -0.06 0.00 0.00 0.00 0.00 23.12 22.53 3kti s ALA 113 CO 0.19 -0.22 1.05 -0.51 0.00 0.00 0.00 175.76 176.27 3kti s LEU 114 N -0.01 3.63 0.35 0.00 1.43 -0.95 -1.22 118.68 121.91 3kti s LEU 114 Ca -0.02 1.85 0.17 0.00 -1.03 0.00 0.00 54.13 55.10 3kti s LEU 114 Cb -0.03 -4.54 1.18 0.00 0.03 0.00 0.00 46.19 42.82 3kti s LEU 114 CO 0.01 -1.00 1.63 -0.65 0.23 0.00 0.00 176.35 176.58 3kti h PRO 115 N 0.88 0.19 -0.31 1.29 0.11 -1.93 -1.54 132.00 130.70 3kti h PRO 115 Ca -0.48 -0.01 0.00 0.00 0.11 0.00 0.00 66.00 65.62 3kti h PRO 115 Cb 1.22 -0.04 0.00 0.00 0.11 0.00 0.00 31.00 32.29 3kti h PRO 115 CO 0.58 0.13 0.00 0.09 -0.21 0.00 0.00 178.00 178.59 3kti n ASN 116 N -5.14 3.89 -4.76 -2.05 4.13 -1.26 -4.53 115.26 105.54 3kti n ASN 116 Ca 0.34 -2.84 -0.31 0.00 1.68 0.00 0.00 54.58 53.45 3kti n ASN 116 Cb 1.09 -0.51 0.09 0.00 -1.54 0.00 0.00 39.78 38.92 3kti n ASN 116 CO 0.00 0.00 0.00 -0.44 0.28 0.00 0.00 177.26 177.10 3kti s SER 117 N -1.68 4.47 0.04 6.41 0.01 -0.58 -4.84 113.70 117.52 3kti s SER 117 Ca 0.40 1.88 0.08 0.00 1.31 0.00 0.00 55.95 59.62 3kti s SER 117 Cb 0.31 -2.53 -0.02 0.00 0.21 0.00 0.00 66.02 63.99 3kti s SER 117 CO 0.11 -2.06 -0.22 -1.61 0.41 0.00 0.00 173.24 169.87 3kti s GLU 118 N -4.75 1.49 -0.09 12.44 2.02 0.26 -3.49 118.70 126.58 3kti s GLU 118 Ca 0.63 -0.96 0.01 0.00 0.02 0.00 0.00 54.97 54.67 3kti s GLU 118 Cb -0.18 -1.60 0.02 0.00 0.10 0.00 0.00 34.13 32.46 3kti s GLU 118 CO 0.54 0.41 -0.12 0.08 0.02 0.00 0.00 175.26 176.19 3kti s VAL 119 N -0.77 1.24 -0.07 2.63 1.01 -0.61 -1.20 120.40 122.63 3kti s VAL 119 Ca 0.08 -0.50 0.02 0.00 0.00 0.00 0.00 61.98 61.59 3kti s VAL 119 Cb -0.09 -1.16 0.01 0.00 0.00 0.00 0.00 36.38 35.14 3kti s VAL 119 CO 0.02 0.39 -0.12 -0.32 0.00 0.00 0.00 175.10 175.06 3kti s MET 120 N 1.02 1.75 0.03 2.72 0.00 -0.83 -0.38 119.30 123.62 3kti s MET 120 Ca -0.07 -0.42 0.09 0.00 0.00 0.00 0.00 55.69 55.28 3kti s MET 120 Cb -0.15 -1.46 -0.03 0.00 0.00 0.00 0.00 34.83 33.20 3kti s MET 120 CO -0.01 0.01 -0.26 0.96 0.00 0.00 0.00 175.02 175.73 3kti s ILE 121 N 0.72 2.06 0.00 10.11 -4.36 -0.86 0.09 121.20 128.97 3kti s ILE 121 Ca -0.13 -1.29 0.00 0.00 -0.26 0.00 0.00 60.65 58.96 3kti s ILE 121 Cb -0.16 -1.75 0.00 0.00 1.25 0.00 0.00 42.46 41.80 3kti s ILE 121 CO 0.03 0.40 0.00 0.00 0.24 0.00 0.00 174.94 175.61 3kti n HIS 122 N 1.96 -0.57 -3.35 1.37 1.44 -1.26 -1.64 115.22 113.17 3kti n HIS 122 Ca -0.17 0.00 -0.21 0.00 -2.01 0.00 0.00 57.72 55.34 3kti n HIS 122 Cb 0.52 0.00 -0.00 0.00 0.12 0.00 0.00 29.99 30.63 3kti n HIS 122 CO 0.00 0.00 0.00 1.14 -2.81 0.00 0.00 176.34 174.67 3kti s GLN 123 N -1.20 3.16 0.61 -1.40 -2.07 -0.94 -4.91 119.66 112.90 3kti s GLN 123 Ca 0.00 -0.76 -0.19 0.00 -1.82 0.00 0.00 55.36 52.59 3kti s GLN 123 Cb 0.00 -2.73 -0.03 0.00 -1.09 0.00 0.00 33.01 29.17 3kti s GLN 123 CO 0.00 -0.01 1.28 -2.14 -1.32 0.00 0.00 175.29 173.11 3kti s PRO 124 N -4.29 2.80 0.05 9.60 0.02 -1.26 -5.03 135.00 136.89 3kti s PRO 124 Ca 0.45 2.03 0.08 0.00 0.02 0.00 0.00 61.00 63.58 3kti s PRO 124 Cb -0.10 -1.96 -0.03 0.00 0.02 0.00 0.00 34.50 32.43 3kti s PRO 124 CO 0.33 -1.40 -0.23 -0.51 -0.33 0.00 0.00 177.00 174.87 3kti s LEU 125 N -4.10 2.39 0.00 -5.54 1.43 -1.26 -5.09 118.68 106.51 3kti s LEU 125 Ca 0.79 -0.53 0.00 0.00 -1.03 0.00 0.00 54.13 53.35 3kti s LEU 125 Cb -0.36 -1.39 0.00 0.00 0.03 0.00 0.00 46.19 44.47 3kti s LEU 125 CO 0.39 0.25 0.00 0.61 0.23 0.00 0.00 176.35 177.83 3kti n GLY 126 N 1.57 2.11 3.46 -3.19 0.00 -1.26 -5.08 105.19 102.79 3kti n GLY 126 Ca -0.17 -0.68 -0.11 0.00 0.00 0.00 0.00 46.02 45.06 3kti n GLY 126 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 3kti s GLY 127 N -0.38 -0.56 -0.09 -0.02 0.00 -1.26 -5.17 107.32 99.84 3kti s GLY 127 Ca 0.00 0.78 -0.07 0.00 0.00 0.00 0.00 44.72 45.43 3kti s GLY 127 CO 0.00 0.32 0.23 0.00 0.00 0.00 0.00 173.10 173.65 3kti s ALA 128 N -3.23 -0.56 -0.01 3.20 0.00 -1.26 -5.00 121.76 114.89 3kti s ALA 128 Ca 0.01 0.77 -0.02 0.00 0.00 0.00 0.00 51.96 52.72 3kti s ALA 128 Cb -0.01 -0.46 0.00 0.00 0.00 0.00 0.00 23.12 22.65 3kti s ALA 128 CO -0.09 -0.14 0.04 -1.14 0.00 0.00 0.00 175.76 174.43 3kti s GLN 129 N 0.51 0.11 0.00 0.00 2.00 -1.26 -4.99 119.66 116.03 3kti s GLN 129 Ca -0.03 -0.05 0.00 0.00 -2.00 0.00 0.00 55.36 53.27 3kti s GLN 129 Cb -0.05 0.05 0.00 0.00 0.80 0.00 0.00 33.01 33.81 3kti s GLN 129 CO -0.03 -0.02 0.00 0.41 -0.50 0.00 0.00 175.29 175.16 3kti n GLY 130 N 2.77 0.29 3.79 2.59 0.00 -1.26 -4.74 105.19 108.63 3kti n GLY 130 Ca -0.14 -1.90 -0.34 0.00 0.00 0.00 0.00 46.02 43.64 3kti n GLY 130 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 3kti s GLN 131 N -0.41 3.45 0.31 1.61 -0.21 -1.26 -4.81 119.66 118.35 3kti s GLN 131 Ca 0.00 1.33 0.08 0.00 0.02 0.00 0.00 55.36 56.79 3kti s GLN 131 Cb 0.00 -2.04 0.90 0.00 1.00 0.00 0.00 33.01 32.86 3kti s GLN 131 CO 0.00 -0.72 1.66 0.00 -2.12 0.00 0.00 175.29 174.11 3kti h ALA 132 N 0.91 1.62 -0.55 6.09 0.00 -1.98 0.18 119.26 125.53 3kti h ALA 132 Ca -0.48 0.20 0.01 0.00 0.00 0.00 0.00 54.91 54.64 3kti h ALA 132 Cb 1.23 0.23 -0.03 0.00 0.00 0.00 0.00 17.79 19.22 3kti h ALA 132 CO 0.58 -0.50 0.36 1.15 0.00 0.00 0.00 179.25 180.83 3kti h THR 133 N 0.28 1.13 -0.45 0.00 2.02 -1.99 0.46 112.91 114.37 3kti h THR 133 Ca 0.64 -0.25 -0.13 0.00 0.77 0.00 0.00 66.41 67.44 3kti h THR 133 Cb 1.38 0.33 -0.01 0.00 -1.74 0.00 0.00 68.15 68.11 3kti h THR 133 CO -0.62 0.13 -0.24 -0.33 0.37 0.00 0.00 175.52 174.83 3kti h GLU 134 N 0.73 0.94 -0.32 6.66 5.08 -1.09 -1.94 114.58 124.64 3kti h GLU 134 Ca 0.21 -0.41 -0.07 0.00 -1.00 0.00 0.00 59.36 58.08 3kti h GLU 134 Cb -0.07 -0.03 -0.02 0.00 0.50 0.00 0.00 28.75 29.14 3kti h GLU 134 CO -0.05 1.07 -0.11 0.82 -1.00 0.00 0.00 179.01 179.73 3kti h ILE 135 N 0.80 1.23 -0.21 3.13 2.04 -0.69 -1.73 117.51 122.09 3kti h ILE 135 Ca 0.10 -1.03 -0.03 0.00 1.00 0.00 0.00 64.86 64.90 3kti h ILE 135 Cb 0.81 1.12 -0.01 0.00 -0.74 0.00 0.00 36.82 38.00 3kti h ILE 135 CO 0.07 0.34 -0.00 -0.08 0.00 0.00 0.00 178.15 178.47 3kti h GLU 136 N 0.50 0.38 -0.53 2.37 4.81 -0.67 -0.29 114.58 121.16 3kti h GLU 136 Ca 0.09 -0.12 0.06 0.00 -0.13 0.00 0.00 59.36 59.26 3kti h GLU 136 Cb 0.50 -0.03 -0.05 0.00 0.63 0.00 0.00 28.75 29.79 3kti h GLU 136 CO 0.03 0.57 0.24 0.82 -0.73 0.00 0.00 179.01 179.95 3kti h ILE 137 N 0.14 0.91 -0.49 2.32 2.04 -1.06 0.15 117.51 121.52 3kti h ILE 137 Ca 0.06 -0.16 -0.08 0.00 1.00 0.00 0.00 64.86 65.68 3kti h ILE 137 Cb 0.40 0.40 -0.02 0.00 -0.74 0.00 0.00 36.82 36.87 3kti h ILE 137 CO 0.01 0.09 -0.00 0.00 0.00 0.00 0.00 178.15 178.25 3kti h ALA 138 N 1.31 0.66 0.09 1.87 0.00 -1.22 -2.26 119.26 119.70 3kti h ALA 138 Ca 0.24 -0.28 -0.00 0.00 0.00 0.00 0.00 54.91 54.86 3kti h ALA 138 Cb 0.19 -0.18 0.00 0.00 0.00 0.00 0.00 17.79 17.80 3kti h ALA 138 CO -0.19 0.47 -0.04 0.00 0.00 0.00 0.00 179.25 179.48 3kti h ALA 139 N 0.93 -0.11 -0.72 0.00 0.00 -0.47 -2.07 119.26 116.82 3kti h ALA 139 Ca 0.14 -0.06 0.08 0.00 0.00 0.00 0.00 54.91 55.07 3kti h ALA 139 Cb 0.51 0.04 -0.07 0.00 0.00 0.00 0.00 17.79 18.28 3kti h ALA 139 CO 0.03 -0.53 0.38 0.87 0.00 0.00 0.00 179.25 180.00 3kti h LYS 140 N -0.19 0.65 0.26 0.00 1.57 -0.68 -1.73 116.57 116.45 3kti h LYS 140 Ca -0.01 -0.04 -0.01 0.00 -1.87 0.00 0.00 60.65 58.72 3kti h LYS 140 Cb 0.16 -0.15 0.00 0.00 0.08 0.00 0.00 32.23 32.32 3kti h LYS 140 CO 0.02 0.43 -0.13 -0.09 -0.57 0.00 0.00 179.45 179.12 3kti h ARG 141 N 0.67 -0.34 -0.46 3.15 2.43 -1.17 -1.16 114.38 117.51 3kti h ARG 141 Ca 0.34 0.02 -0.05 0.00 -0.81 0.00 0.00 59.98 59.49 3kti h ARG 141 Cb 0.29 0.08 -0.02 0.00 -0.42 0.00 0.00 29.97 29.90 3kti h ARG 141 CO -0.23 -0.21 0.09 0.97 -1.51 0.00 0.00 179.97 179.08 3kti h ILE 142 N -0.37 1.21 -0.27 1.20 2.10 -1.15 0.18 117.51 120.41 3kti h ILE 142 Ca -0.04 -0.77 -0.11 0.00 1.08 0.00 0.00 64.86 65.03 3kti h ILE 142 Cb 0.29 0.77 -0.01 0.00 -1.09 0.00 0.00 36.82 36.77 3kti h ILE 142 CO 0.06 0.28 -0.30 -0.07 -1.08 0.00 0.00 178.15 177.03 3kti h LEU 143 N 0.67 0.56 -0.49 2.19 3.38 -1.23 -0.10 115.31 120.30 3kti h LEU 143 Ca 0.15 -0.21 -0.14 0.00 0.09 0.00 0.00 57.88 57.77 3kti h LEU 143 Cb 0.29 -0.16 -0.01 0.00 0.09 0.00 0.00 40.66 40.87 3kti h LEU 143 CO 0.00 0.84 -0.25 0.25 0.09 0.00 0.00 178.44 179.37 3kti h LEU 144 N 0.47 1.01 -0.72 1.67 7.12 -0.40 -1.75 115.31 122.71 3kti h LEU 144 Ca 0.06 -0.40 -0.07 0.00 0.13 0.00 0.00 57.88 57.60 3kti h LEU 144 Cb 0.77 -0.28 -0.03 0.00 -0.53 0.00 0.00 40.66 40.59 3kti h LEU 144 CO 0.06 1.20 0.19 -0.07 -0.13 0.00 0.00 178.44 179.69 3kti h LEU 145 N 0.83 1.08 -0.22 2.25 3.38 -0.38 -1.21 115.31 121.04 3kti h LEU 145 Ca 0.10 -0.23 0.00 0.00 0.09 0.00 0.00 57.88 57.85 3kti h LEU 145 Cb 0.84 -0.28 -0.01 0.00 0.09 0.00 0.00 40.66 41.29 3kti h LEU 145 CO 0.07 1.02 0.14 -0.09 0.09 0.00 0.00 178.44 179.68 3kti h ARG 146 N 1.08 0.28 -0.63 1.13 2.43 -0.74 -0.93 114.38 117.01 3kti h ARG 146 Ca 0.23 -0.02 -0.03 0.00 -0.81 0.00 0.00 59.98 59.36 3kti h ARG 146 Cb 0.35 -0.06 -0.03 0.00 -0.42 0.00 0.00 29.97 29.81 3kti h ARG 146 CO -0.00 0.19 0.29 -0.44 -1.51 0.00 0.00 179.97 178.50 3kti h ASP 147 N 0.29 0.83 -0.18 -3.80 3.32 -1.12 0.49 116.42 116.25 3kti h ASP 147 Ca 0.08 -0.14 0.03 0.00 0.02 0.00 0.00 57.03 57.02 3kti h ASP 147 Cb -0.03 -0.21 -0.03 0.00 0.22 0.00 0.00 39.33 39.28 3kti h ASP 147 CO -0.02 0.73 -0.01 0.50 -1.72 0.00 0.00 179.24 178.73 3kti h LYS 148 N 0.87 0.04 -0.02 3.56 3.64 -0.95 -0.14 116.57 123.57 3kti h LYS 148 Ca 0.21 -0.00 -0.00 0.00 -1.27 0.00 0.00 60.65 59.59 3kti h LYS 148 Cb 0.13 -0.01 -0.00 0.00 -0.41 0.00 0.00 32.23 31.94 3kti h LYS 148 CO -0.03 0.03 0.00 -0.07 -2.27 0.00 0.00 179.45 177.11 3kti h LEU 149 N 0.04 0.03 -1.41 5.20 3.38 -0.94 -3.05 115.31 118.56 3kti h LEU 149 Ca 0.08 -0.26 0.04 0.00 0.09 0.00 0.00 57.88 57.84 3kti h LEU 149 Cb 0.11 -0.01 -0.04 0.00 0.09 0.00 0.00 40.66 40.81 3kti h LEU 149 CO -0.15 0.28 0.44 0.78 0.09 0.00 0.00 178.44 179.88 3kti h ASN 150 N -0.22 0.65 -0.61 -0.43 2.35 -0.72 -0.76 115.58 115.84 3kti h ASN 150 Ca 0.01 -0.00 -0.07 0.00 -0.55 0.00 0.00 56.30 55.68 3kti h ASN 150 Cb 0.26 -0.15 -0.03 0.00 0.05 0.00 0.00 38.32 38.46 3kti h ASN 150 CO 0.00 0.44 0.10 0.11 -1.65 0.00 0.00 177.43 176.43 3kti h LYS 151 N 0.75 1.03 -0.02 0.81 1.57 -0.99 0.14 116.57 119.86 3kti h LYS 151 Ca 0.28 -0.27 -0.01 0.00 -1.87 0.00 0.00 60.65 58.79 3kti h LYS 151 Cb 0.14 -0.13 -0.00 0.00 0.08 0.00 0.00 32.23 32.33 3kti h LYS 151 CO -0.08 0.95 -0.00 0.28 -0.57 0.00 0.00 179.45 180.02 3kti h VAL 152 N 0.97 1.28 -0.93 0.50 2.07 -1.24 -1.35 116.25 117.55 3kti h VAL 152 Ca 0.19 -0.86 0.11 0.00 0.82 0.00 0.00 66.70 66.96 3kti h VAL 152 Cb 0.42 1.81 -0.07 0.00 -1.52 0.00 0.00 31.29 31.93 3kti h VAL 152 CO 0.01 0.23 0.60 -0.07 0.02 0.00 0.00 177.57 178.36 3kti h LEU 153 N -0.30 0.84 0.22 2.57 3.38 -0.97 0.22 115.31 121.27 3kti h LEU 153 Ca 0.01 0.03 -0.01 0.00 0.09 0.00 0.00 57.88 58.00 3kti h LEU 153 Cb 0.37 -0.14 0.00 0.00 0.09 0.00 0.00 40.66 40.98 3kti h LEU 153 CO 0.00 0.48 -0.11 0.00 0.09 0.00 0.00 178.44 178.90 3kti h ALA 154 N 1.55 -0.30 -0.53 1.53 0.00 -0.49 0.76 119.26 121.78 3kti h ALA 154 Ca 0.44 -0.08 0.03 0.00 0.00 0.00 0.00 54.91 55.30 3kti h ALA 154 Cb 0.45 0.12 -0.04 0.00 0.00 0.00 0.00 17.79 18.31 3kti h ALA 154 CO -0.20 -0.65 0.30 0.93 0.00 0.00 0.00 179.25 179.63 3kti h GLU 155 N -0.34 0.57 -0.27 0.00 5.08 -0.28 0.26 114.58 119.60 3kti h GLU 155 Ca -0.03 -0.03 -0.11 0.00 -1.00 0.00 0.00 59.36 58.19 3kti h GLU 155 Cb 0.26 -0.13 -0.01 0.00 0.50 0.00 0.00 28.75 29.37 3kti h GLU 155 CO 0.05 0.38 -0.29 0.00 -1.00 0.00 0.00 179.01 178.15 3kti h ARG 156 N 0.59 0.54 0.00 2.33 2.47 -0.40 -3.33 114.38 116.58 3kti h ARG 156 Ca 0.22 -0.22 -0.14 0.00 -1.26 0.00 0.00 59.98 58.58 3kti h ARG 156 Cb 0.06 -0.02 -0.03 0.00 -1.65 0.00 0.00 29.97 28.33 3kti h ARG 156 CO -0.12 0.77 -2.01 0.25 0.56 0.00 0.00 179.97 179.42 3kti n THR 157 N -4.09 0.62 -0.04 2.04 -2.24 0.24 -4.82 114.28 105.99 3kti n THR 157 Ca -0.01 -0.64 0.00 0.00 -2.27 0.00 0.00 64.05 61.13 3kti n THR 157 Cb 0.44 -0.25 0.00 0.00 -2.10 0.00 0.00 70.33 68.42 3kti n THR 157 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 3kti n GLY 158 N 1.43 0.45 3.77 3.38 0.00 0.07 -4.39 105.19 109.90 3kti n GLY 158 Ca -0.14 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 45.49 3kti n GLY 158 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 3kti s GLN 159 N -0.86 4.62 0.72 1.61 -1.52 -1.21 -5.02 119.66 118.00 3kti s GLN 159 Ca 0.00 1.21 -0.13 0.00 -1.95 0.00 0.00 55.36 54.50 3kti s GLN 159 Cb 0.00 -3.27 0.03 0.00 -0.22 0.00 0.00 33.01 29.56 3kti s GLN 159 CO 0.00 0.56 1.11 -1.25 -0.25 0.00 0.00 175.29 175.46 3kti s PRO 160 N -1.15 2.45 0.23 2.91 0.04 -1.26 -4.30 135.00 133.92 3kti s PRO 160 Ca 0.37 1.31 -0.08 0.00 0.04 0.00 0.00 61.00 62.64 3kti s PRO 160 Cb -0.24 -1.91 0.38 0.00 0.04 0.00 0.00 34.50 32.77 3kti s PRO 160 CO 0.27 -1.51 1.68 1.25 0.04 0.00 0.00 177.00 178.73 3kti h LEU 161 N -0.60 -0.11 -1.86 -3.56 5.85 -1.93 -1.00 115.31 112.10 3kti h LEU 161 Ca -0.45 0.15 -0.03 0.00 0.84 0.00 0.00 57.88 58.39 3kti h LEU 161 Cb 1.24 0.22 -0.00 0.00 0.37 0.00 0.00 40.66 42.49 3kti h LEU 161 CO 0.52 -0.07 -0.13 -0.33 -0.34 0.00 0.00 178.44 178.09 3kti h GLU 162 N 0.21 0.00 0.06 1.25 5.08 -1.96 0.88 114.58 120.10 3kti h GLU 162 Ca 0.37 0.00 -0.13 0.00 -1.00 0.00 0.00 59.36 58.60 3kti h GLU 162 Cb 0.62 0.00 0.01 0.00 0.50 0.00 0.00 28.75 29.88 3kti h GLU 162 CO -0.51 0.13 -0.56 0.28 -1.00 0.00 0.00 179.01 177.35 3kti h VAL 163 N 0.00 1.53 -0.32 3.13 2.07 -1.57 -1.59 116.25 119.50 3kti h VAL 163 Ca -0.00 -2.28 0.05 0.00 0.82 0.00 0.00 66.70 65.29 3kti h VAL 163 Cb 0.35 2.98 -0.05 0.00 -1.52 0.00 0.00 31.29 33.05 3kti h VAL 163 CO 0.02 0.64 0.02 0.40 0.02 0.00 0.00 177.57 178.67 3kti h ILE 164 N -0.39 0.79 0.18 4.57 1.08 -0.94 0.45 117.51 123.25 3kti h ILE 164 Ca -0.09 -0.04 0.01 0.00 -0.39 0.00 0.00 64.86 64.36 3kti h ILE 164 Cb 1.36 0.66 -0.04 0.00 -3.07 0.00 0.00 36.82 35.73 3kti h ILE 164 CO 0.11 0.02 -0.37 -0.08 -0.69 0.00 0.00 178.15 177.14 3kti h GLU 165 N 0.12 -0.62 -0.55 2.37 4.81 -0.86 -1.35 114.58 118.51 3kti h GLU 165 Ca 0.15 0.04 0.08 0.00 -0.13 0.00 0.00 59.36 59.51 3kti h GLU 165 Cb 0.20 0.14 -0.06 0.00 0.63 0.00 0.00 28.75 29.66 3kti h GLU 165 CO -0.24 -0.41 0.19 -0.09 -0.73 0.00 0.00 179.01 177.72 3kti h ARG 166 N -0.65 0.36 0.00 1.92 2.43 -0.85 -2.44 114.38 115.14 3kti h ARG 166 Ca 0.01 -0.02 0.00 0.00 -0.81 0.00 0.00 59.98 59.16 3kti h ARG 166 Cb 0.65 -0.08 0.00 0.00 -0.42 0.00 0.00 29.97 30.12 3kti h ARG 166 CO -0.18 0.24 0.00 -0.44 -1.51 0.00 0.00 179.97 178.08 3kti h ASP 167 N 0.37 0.00 -0.41 -3.80 3.32 -0.62 -2.89 116.42 112.40 3kti h ASP 167 Ca 0.27 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.32 3kti h ASP 167 Cb 0.31 0.00 0.00 0.00 0.22 0.00 0.00 39.33 39.86 3kti h ASP 167 CO -0.28 0.00 0.00 0.35 -1.72 0.00 0.00 179.24 177.59 3kti n THR 168 N -2.71 0.69 -0.28 0.35 -2.24 -0.53 -4.50 114.28 105.05 3kti n THR 168 Ca 0.02 -0.84 -0.00 0.00 -2.27 0.00 0.00 64.05 60.95 3kti n THR 168 Cb 0.30 0.78 0.12 0.00 -2.10 0.00 0.00 70.33 69.42 3kti n THR 168 CO 0.00 0.00 0.00 -0.78 -0.57 0.00 0.00 175.07 173.72 3kti h ASP 169 N 3.45 0.75 -1.90 3.42 1.82 -1.27 -2.50 116.42 120.20 3kti h ASP 169 Ca 0.00 0.02 -0.62 0.00 -0.39 0.00 0.00 57.03 56.04 3kti h ASP 169 Cb 0.85 -0.14 -0.13 0.00 0.68 0.00 0.00 39.33 40.59 3kti h ASP 169 CO 0.00 0.49 -0.67 -0.13 -1.61 0.00 0.00 179.24 177.32 3kti s ARG 170 N -6.08 1.85 0.08 0.28 1.81 -1.26 -4.70 118.95 110.93 3kti s ARG 170 Ca -0.13 -1.95 -0.33 0.00 -1.72 0.00 0.00 55.73 51.60 3kti s ARG 170 Cb 0.17 -1.71 -0.12 0.00 -0.45 0.00 0.00 34.95 32.84 3kti s ARG 170 CO 0.78 0.12 1.74 -0.25 -0.68 0.00 0.00 175.30 177.00 3kti n ASP 171 N -0.83 3.44 -3.97 0.23 9.92 -1.26 -4.65 116.55 119.43 3kti n ASP 171 Ca -0.05 1.03 -0.31 0.00 -0.53 0.00 0.00 54.79 54.93 3kti n ASP 171 Cb 0.64 -1.44 -0.15 0.00 -0.64 0.00 0.00 41.12 39.53 3kti n ASP 171 CO 0.00 0.00 0.00 0.21 0.13 0.00 0.00 177.20 177.54 3kti s ASN 172 N 2.31 4.60 -0.05 -2.24 3.04 -0.65 -5.01 114.94 116.94 3kti s ASN 172 Ca 0.84 -2.26 -0.20 0.00 0.04 0.00 0.00 52.86 51.28 3kti s ASN 172 Cb -0.63 -1.54 -0.05 0.00 -1.54 0.00 0.00 41.25 37.49 3kti s ASN 172 CO 0.42 -0.36 0.57 -0.36 -3.04 0.00 0.00 177.10 174.33 3kti s PHE 173 N 0.76 3.61 0.05 0.43 0.08 -1.26 -2.02 117.98 119.62 3kti s PHE 173 Ca 0.12 1.10 0.05 0.00 0.12 0.00 0.00 56.93 58.31 3kti s PHE 173 Cb -0.20 -2.61 -0.02 0.00 -0.57 0.00 0.00 43.02 39.61 3kti s PHE 173 CO -0.08 0.25 -0.13 0.15 -0.10 0.00 0.00 175.22 175.31 3kti s LYS 174 N 0.24 0.86 0.94 0.44 1.02 0.49 -5.00 119.74 118.73 3kti s LYS 174 Ca 0.30 -0.80 -0.16 0.00 0.02 0.00 0.00 55.97 55.34 3kti s LYS 174 Cb -0.17 -0.86 0.22 0.00 -0.52 0.00 0.00 37.83 36.50 3kti s LYS 174 CO 0.15 0.20 1.12 -1.13 -0.92 0.00 0.00 175.35 174.78 3kti n SER 175 N 1.73 -0.51 -0.12 2.83 3.41 -1.26 -1.57 113.62 118.12 3kti n SER 175 Ca -0.19 -1.33 -0.10 0.00 -0.26 0.00 0.00 58.87 56.99 3kti n SER 175 Cb 0.55 -0.90 -0.02 0.00 -0.26 0.00 0.00 64.21 63.58 3kti n SER 175 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 3kti h ALA 176 N -2.06 0.48 -0.25 7.33 0.00 -1.79 -1.30 119.26 121.67 3kti h ALA 176 Ca -0.38 -0.20 0.03 0.00 0.00 0.00 0.00 54.91 54.36 3kti h ALA 176 Cb 1.07 -0.14 -0.03 0.00 0.00 0.00 0.00 17.79 18.69 3kti h ALA 176 CO 0.26 0.18 0.07 0.93 0.00 0.00 0.00 179.25 180.69 3kti h GLU 177 N 0.44 0.16 -0.59 0.00 3.07 -1.92 -1.06 114.58 114.69 3kti h GLU 177 Ca 0.11 -0.01 -0.07 0.00 -0.50 0.00 0.00 59.36 58.89 3kti h GLU 177 Cb 0.34 -0.04 -0.03 0.00 -0.84 0.00 0.00 28.75 28.19 3kti h GLU 177 CO 0.01 0.11 0.09 0.93 -1.40 0.00 0.00 179.01 178.75 3kti h GLU 178 N 0.17 0.94 -0.80 2.33 5.08 -1.89 -1.14 114.58 119.27 3kti h GLU 178 Ca 0.11 -0.23 -0.04 0.00 -1.00 0.00 0.00 59.36 58.20 3kti h GLU 178 Cb 0.10 -0.12 -0.04 0.00 0.50 0.00 0.00 28.75 29.20 3kti h GLU 178 CO -0.14 0.88 0.34 0.00 -1.00 0.00 0.00 179.01 179.09 3kti h ALA 179 N 1.20 1.08 0.29 3.43 0.00 -0.79 0.60 119.26 125.07 3kti h ALA 179 Ca 0.18 -0.19 -0.01 0.00 0.00 0.00 0.00 54.91 54.89 3kti h ALA 179 Cb 0.39 -0.32 0.00 0.00 0.00 0.00 0.00 17.79 17.87 3kti h ALA 179 CO 0.01 0.66 -0.14 1.25 0.00 0.00 0.00 179.25 181.03 3kti h LEU 180 N 1.17 -0.33 -1.71 0.00 5.85 -0.83 -1.50 115.31 117.95 3kti h LEU 180 Ca 0.27 -0.09 0.16 0.00 0.84 0.00 0.00 57.88 59.06 3kti h LEU 180 Cb 0.19 0.09 -0.04 0.00 0.37 0.00 0.00 40.66 41.27 3kti h LEU 180 CO -0.03 -0.11 0.48 -0.08 -0.34 0.00 0.00 178.44 178.36 3kti h GLU 181 N -0.54 0.27 0.00 1.25 4.57 -0.93 -1.12 114.58 118.08 3kti h GLU 181 Ca -0.04 -0.02 -0.13 0.00 -1.18 0.00 0.00 59.36 57.99 3kti h GLU 181 Cb 0.40 -0.06 -0.02 0.00 -0.16 0.00 0.00 28.75 28.91 3kti h GLU 181 CO 0.07 0.18 -0.62 -0.92 -1.18 0.00 0.00 179.01 176.54 3kti h TYR 182 N 0.28 0.00 0.00 0.92 3.20 -0.51 -3.48 116.97 117.38 3kti h TYR 182 Ca 0.35 0.00 0.00 0.00 3.14 0.00 0.00 58.73 62.22 3kti h TYR 182 Cb 0.95 0.00 0.00 0.00 1.54 0.00 0.00 36.73 39.22 3kti h TYR 182 CO -0.00 0.62 0.00 0.41 -1.64 0.00 0.00 178.16 177.55 3kti n GLY 183 N 0.95 1.03 0.13 1.82 0.00 -0.42 -4.69 105.19 104.00 3kti n GLY 183 Ca 0.01 0.00 -0.11 0.00 0.00 0.00 0.00 46.02 45.91 3kti n GLY 183 CO 0.00 0.00 0.00 1.41 0.00 0.00 0.00 173.32 174.73 3kti h LEU 184 N 0.00 0.35 -8.95 0.99 3.38 -1.52 -3.35 115.31 106.19 3kti h LEU 184 Ca 0.00 -0.30 -0.41 0.00 0.09 0.00 0.00 57.88 57.26 3kti h LEU 184 Cb 0.00 -0.11 -0.14 0.00 0.09 0.00 0.00 40.66 40.50 3kti h LEU 184 CO 0.00 1.13 -0.66 0.27 0.09 0.00 0.00 178.44 179.27 3kti s ILE 185 N -3.08 1.22 -0.17 1.22 -4.36 -1.22 -4.03 121.20 110.79 3kti s ILE 185 Ca -0.04 -2.06 0.13 0.00 -0.26 0.00 0.00 60.65 58.42 3kti s ILE 185 Cb 0.09 -2.35 -0.20 0.00 1.25 0.00 0.00 42.46 41.25 3kti s ILE 185 CO 0.85 -0.34 0.03 0.47 0.24 0.00 0.00 174.94 176.19 3kti n ASP 186 N -0.46 1.10 -3.65 4.36 8.00 0.58 -4.50 116.55 121.98 3kti n ASP 186 Ca -0.05 -0.01 -0.15 0.00 0.71 0.00 0.00 54.79 55.29 3kti n ASP 186 Cb 0.64 0.76 -0.07 0.00 -0.02 0.00 0.00 41.12 42.43 3kti n ASP 186 CO 0.00 0.00 0.00 -0.75 -0.39 0.00 0.00 177.20 176.06 3kti s LYS 187 N -2.40 0.88 -0.19 -1.24 2.20 -0.93 -5.01 119.74 113.05 3kti s LYS 187 Ca -0.10 -0.09 -0.07 0.00 -0.36 0.00 0.00 55.97 55.34 3kti s LYS 187 Cb 0.05 0.40 -0.04 0.00 -1.51 0.00 0.00 37.83 36.73 3kti s LYS 187 CO 0.65 -0.28 0.07 0.42 -0.36 0.00 0.00 175.35 175.85 3kti s ILE 188 N -1.64 4.76 -1.27 5.43 1.01 -1.26 -2.38 121.20 125.85 3kti s ILE 188 Ca -0.10 -0.04 -0.18 0.00 0.00 0.00 0.00 60.65 60.32 3kti s ILE 188 Cb -0.02 -3.15 0.01 0.00 0.01 0.00 0.00 42.46 39.30 3kti s ILE 188 CO 0.04 0.44 1.92 0.18 0.00 0.00 0.00 174.94 177.52 3kti n LEU 189 N 3.70 5.03 -4.75 2.97 4.77 -0.36 -4.94 117.00 123.42 3kti n LEU 189 Ca -0.16 -3.74 -0.40 0.00 -0.03 0.00 0.00 56.01 51.68 3kti n LEU 189 Cb 0.52 -1.66 -0.05 0.00 -2.33 0.00 0.00 43.42 39.90 3kti n LEU 189 CO 0.35 0.00 0.47 0.42 -1.33 0.00 0.00 177.39 177.30 3kti s THR 190 N 5.23 4.65 0.00 -5.08 -4.23 -1.26 -4.31 115.64 110.64 3kti s THR 190 Ca 0.55 1.65 0.00 0.00 -1.18 0.00 0.00 61.69 62.71 3kti s THR 190 Cb 0.07 -4.12 0.00 0.00 1.34 0.00 0.00 72.50 69.79 3kti s THR 190 CO 0.05 0.40 0.00 0.00 -0.54 0.00 0.00 174.62 174.53