#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 1.23 -0.00 2.12 6.09 -2.06 -2.61 117.51 122.29 3kti h ILE 19 Ca 0.00 -0.88 -0.15 0.00 -1.37 0.00 0.00 64.86 62.46 3kti h ILE 19 Cb 0.00 0.71 -0.02 0.00 0.47 0.00 0.00 36.82 37.98 3kti h ILE 19 CO 0.00 0.32 -0.73 1.88 -3.07 0.00 0.00 178.15 176.56 3kti h TYR 20 N 0.81 0.00 -0.85 2.19 0.99 -2.00 -2.53 116.97 115.59 3kti h TYR 20 Ca 0.17 -0.00 -0.03 0.00 2.00 0.00 0.00 58.73 60.87 3kti h TYR 20 Cb 0.34 -0.00 -0.04 0.00 1.00 0.00 0.00 36.73 38.03 3kti h TYR 20 CO 0.02 0.73 0.41 0.77 -0.00 0.00 0.00 178.16 180.08 3kti h SER 21 N 0.00 1.12 -0.03 3.88 0.02 -1.90 0.13 113.55 116.76 3kti h SER 21 Ca -0.01 -0.14 0.00 0.00 -0.84 0.00 0.00 61.79 60.81 3kti h SER 21 Cb 1.28 -0.29 -0.00 0.00 0.14 0.00 0.00 62.40 63.54 3kti h SER 21 CO 0.09 0.94 0.02 0.03 -1.14 0.00 0.00 176.83 176.77 3kti h ARG 22 N 1.22 0.04 -0.79 3.45 3.08 -1.27 -1.56 114.38 118.55 3kti h ARG 22 Ca 0.29 -0.00 0.06 0.00 0.07 0.00 0.00 59.98 60.40 3kti h ARG 22 Cb 0.12 -0.01 -0.06 0.00 0.08 0.00 0.00 29.97 30.10 3kti h ARG 22 CO -0.04 0.03 0.48 -0.07 -1.07 0.00 0.00 179.97 179.30 3kti h LEU 23 N 0.03 0.74 -0.94 3.04 3.38 -0.94 -1.93 115.31 118.69 3kti h LEU 23 Ca 0.01 0.02 -0.04 0.00 0.09 0.00 0.00 57.88 57.96 3kti h LEU 23 Cb 0.00 -0.13 -0.03 0.00 0.09 0.00 0.00 40.66 40.59 3kti h LEU 23 CO -0.00 0.48 0.26 0.25 0.09 0.00 0.00 178.44 179.52 3kti h LEU 24 N 0.87 0.96 -2.05 1.67 5.85 -0.43 -0.24 115.31 121.94 3kti h LEU 24 Ca 0.34 -0.14 -0.01 0.00 0.84 0.00 0.00 57.88 58.92 3kti h LEU 24 Cb 0.17 -0.25 -0.00 0.00 0.37 0.00 0.00 40.66 40.95 3kti h LEU 24 CO -0.17 0.86 -0.02 0.11 -0.34 0.00 0.00 178.44 178.87 3kti h LYS 25 N 1.01 0.00 -0.66 1.25 1.57 -0.49 0.18 116.57 119.43 3kti h LYS 25 Ca 0.23 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 59.01 3kti h LYS 25 Cb 0.21 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.52 3kti h LYS 25 CO -0.02 0.02 0.00 -0.25 -0.57 0.00 0.00 179.45 178.64 3kti n ASP 26 N -4.36 3.53 -3.39 0.86 9.92 -0.60 -4.90 116.55 117.61 3kti n ASP 26 Ca -0.03 -2.41 -0.21 0.00 -0.53 0.00 0.00 54.79 51.60 3kti n ASP 26 Cb 0.11 -0.53 0.08 0.00 -0.64 0.00 0.00 41.12 40.14 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 0.52 -7.31 -4.27 -1.24 1.74 0.62 -4.88 116.66 101.84 3kti n ARG 27 Ca 0.17 0.78 -0.33 0.00 -0.77 0.00 0.00 57.85 57.70 3kti n ARG 27 Cb 0.71 -5.68 -0.16 0.00 -1.02 0.00 0.00 32.46 26.32 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 -3.31 2.42 -0.17 0.55 1.01 -0.20 -0.94 121.20 120.57 3kti s ILE 28 Ca 0.47 -0.83 -0.04 0.00 0.00 0.00 0.00 60.65 60.24 3kti s ILE 28 Cb -0.21 -2.03 -0.03 0.00 0.01 0.00 0.00 42.46 40.21 3kti s ILE 28 CO 0.69 0.52 -0.02 -0.63 0.00 0.00 0.00 174.94 175.49 3kti s ILE 29 N 1.14 4.00 -0.40 2.92 1.01 0.14 -3.02 121.20 126.98 3kti s ILE 29 Ca 0.01 -0.32 -0.17 0.00 0.00 0.00 0.00 60.65 60.17 3kti s ILE 29 Cb -0.14 -2.77 0.01 0.00 0.01 0.00 0.00 42.46 39.57 3kti s ILE 29 CO -0.07 0.48 0.45 -0.04 0.00 0.00 0.00 174.94 175.76 3kti s MET 30 N 0.46 3.25 -0.83 2.79 -1.94 -1.26 -0.66 119.30 121.11 3kti s MET 30 Ca -0.02 -0.60 -0.12 0.00 -1.71 0.00 0.00 55.69 53.24 3kti s MET 30 Cb -0.14 -3.92 0.22 0.00 2.01 0.00 0.00 34.83 33.00 3kti s MET 30 CO 0.02 -0.79 0.75 -1.17 -0.01 0.00 0.00 175.02 173.83 3kti s LEU 31 N 2.20 6.50 -0.30 -0.03 2.96 0.45 -4.89 118.68 125.58 3kti s LEU 31 Ca 0.14 -2.82 0.08 0.00 -0.22 0.00 0.00 54.13 51.31 3kti s LEU 31 Cb -0.16 -2.15 0.46 0.00 0.50 0.00 0.00 46.19 44.83 3kti s LEU 31 CO 0.14 -0.51 1.18 0.61 -1.32 0.00 0.00 176.35 176.44 3kti n GLY 32 N 3.76 6.02 3.83 7.98 0.00 -1.26 -1.47 105.19 124.05 3kti n GLY 32 Ca 0.14 -2.55 -0.07 0.00 0.00 0.00 0.00 46.02 43.54 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 -3.61 -0.10 0.69 1.61 1.04 -1.22 -4.88 113.70 107.23 3kti s SER 33 Ca 0.49 -0.81 -0.17 0.00 0.48 0.00 0.00 55.95 55.94 3kti s SER 33 Cb 0.40 0.71 0.01 0.00 0.10 0.00 0.00 66.02 67.25 3kti s SER 33 CO 0.02 -1.38 1.24 0.00 0.98 0.00 0.00 173.24 174.10 3kti n ALA 34 N -0.52 0.75 -2.55 5.32 0.00 -1.26 -4.53 120.51 117.72 3kti n ALA 34 Ca -0.06 -0.09 -0.41 0.00 0.00 0.00 0.00 53.44 52.88 3kti n ALA 34 Cb 0.60 -2.29 -0.09 0.00 0.00 0.00 0.00 19.45 17.67 3kti n ALA 34 CO 0.00 0.00 0.00 0.42 0.00 0.00 0.00 177.50 177.92 3kti s ILE 35 N -1.59 5.12 0.40 0.00 1.01 0.19 -4.88 121.20 121.45 3kti s ILE 35 Ca 0.80 0.16 0.03 0.00 0.00 0.00 0.00 60.65 61.65 3kti s ILE 35 Cb -0.36 -3.87 -0.04 0.00 0.01 0.00 0.00 42.46 38.21 3kti s ILE 35 CO 0.43 -0.13 0.08 1.51 0.00 0.00 0.00 174.94 176.84 3kti s ASP 36 N 1.74 2.95 0.35 3.58 1.47 -1.26 -0.43 116.67 125.07 3kti s ASP 36 Ca 0.14 -1.57 0.07 0.00 1.18 0.00 0.00 52.55 52.37 3kti s ASP 36 Cb -0.16 0.29 0.75 0.00 -0.34 0.00 0.00 42.92 43.46 3kti s ASP 36 CO 0.12 -0.80 1.90 0.44 0.68 0.00 0.00 175.17 177.51 3kti h ASP 37 N 1.81 0.70 0.43 2.11 3.32 -1.96 0.64 116.42 123.47 3kti h ASP 37 Ca -0.39 0.02 -0.02 0.00 0.02 0.00 0.00 57.03 56.67 3kti h ASP 37 Cb 1.27 -0.12 -0.00 0.00 0.22 0.00 0.00 39.33 40.70 3kti h ASP 37 CO 0.65 0.40 -0.24 -1.13 -1.72 0.00 0.00 179.24 177.20 3kti h ASN 38 N 0.76 -0.58 -0.57 6.45 -0.00 -1.99 0.18 115.58 119.84 3kti h ASN 38 Ca 0.40 0.03 0.00 0.00 -0.00 0.00 0.00 56.30 56.73 3kti h ASN 38 Cb 0.50 0.16 -0.03 0.00 -0.00 0.00 0.00 38.32 38.95 3kti h ASN 38 CO -0.16 -0.39 0.37 0.58 -0.00 0.00 0.00 177.43 177.82 3kti h VAL 39 N -0.63 1.15 -0.09 2.57 2.07 -1.76 -1.81 116.25 117.75 3kti h VAL 39 Ca -0.05 -0.30 0.02 0.00 0.82 0.00 0.00 66.70 67.19 3kti h VAL 39 Cb 0.50 0.34 -0.03 0.00 -1.52 0.00 0.00 31.29 30.58 3kti h VAL 39 CO 0.07 0.15 -0.06 0.00 0.02 0.00 0.00 177.57 177.75 3kti h ALA 40 N 1.20 0.02 -0.30 1.67 0.00 -0.59 -0.79 119.26 120.47 3kti h ALA 40 Ca 0.21 0.04 -0.01 0.00 0.00 0.00 0.00 54.91 55.14 3kti h ALA 40 Cb -0.07 0.13 -0.02 0.00 0.00 0.00 0.00 17.79 17.84 3kti h ALA 40 CO -0.04 -0.52 0.14 -0.91 0.00 0.00 0.00 179.25 177.91 3kti h ASN 41 N -0.06 0.37 -0.32 0.00 2.35 -0.40 -0.04 115.58 117.48 3kti h ASN 41 Ca 0.06 -0.03 -0.08 0.00 -0.55 0.00 0.00 56.30 55.70 3kti h ASN 41 Cb 0.15 -0.09 -0.01 0.00 0.05 0.00 0.00 38.32 38.41 3kti h ASN 41 CO -0.13 0.33 -0.12 -1.28 -1.65 0.00 0.00 177.43 174.57 3kti h SER 42 N 0.42 0.67 0.04 5.81 0.87 -0.60 -1.85 113.55 118.91 3kti h SER 42 Ca 0.11 -0.39 -0.16 0.00 -1.23 0.00 0.00 61.79 60.12 3kti h SER 42 Cb 0.06 -0.18 -0.01 0.00 -0.44 0.00 0.00 62.40 61.83 3kti h SER 42 CO -0.01 0.91 -0.53 0.40 -0.53 0.00 0.00 176.83 177.06 3kti h ILE 43 N 0.42 1.32 -0.61 2.23 2.04 -0.64 -2.05 117.51 120.22 3kti h ILE 43 Ca 0.08 -1.78 -0.03 0.00 1.00 0.00 0.00 64.86 64.13 3kti h ILE 43 Cb 0.64 1.76 -0.03 0.00 -0.74 0.00 0.00 36.82 38.45 3kti h ILE 43 CO 0.04 0.55 0.27 0.58 0.00 0.00 0.00 178.15 179.59 3kti h VAL 44 N 0.42 1.22 -0.30 1.67 2.07 -0.98 -1.03 116.25 119.31 3kti h VAL 44 Ca 0.01 -0.66 0.01 0.00 0.82 0.00 0.00 66.70 66.88 3kti h VAL 44 Cb 1.07 0.53 -0.02 0.00 -1.52 0.00 0.00 31.29 31.35 3kti h VAL 44 CO 0.10 0.26 0.19 0.28 0.02 0.00 0.00 177.57 178.43 3kti h SER 45 N 0.84 0.33 -0.84 0.57 0.02 -1.15 -0.99 113.55 112.32 3kti h SER 45 Ca 0.21 -0.01 -0.03 0.00 -0.84 0.00 0.00 61.79 61.12 3kti h SER 45 Cb 0.16 -0.08 -0.04 0.00 0.14 0.00 0.00 62.40 62.58 3kti h SER 45 CO -0.02 0.24 0.42 1.56 -1.14 0.00 0.00 176.83 177.88 3kti h GLN 46 N 0.39 1.20 -0.34 3.45 4.20 -1.08 0.19 115.11 123.12 3kti h GLN 46 Ca 0.11 -0.16 -0.05 0.00 0.06 0.00 0.00 58.65 58.61 3kti h GLN 46 Cb -0.03 -0.22 -0.01 0.00 0.30 0.00 0.00 27.48 27.51 3kti h GLN 46 CO -0.03 0.91 0.02 -0.07 -0.67 0.00 0.00 178.83 178.99 3kti h LEU 47 N 1.19 0.57 -0.80 1.46 3.38 -0.89 -0.47 115.31 119.76 3kti h LEU 47 Ca 0.29 -0.29 -0.07 0.00 0.09 0.00 0.00 57.88 57.90 3kti h LEU 47 Cb 0.09 -0.15 -0.03 0.00 0.09 0.00 0.00 40.66 40.66 3kti h LEU 47 CO -0.04 0.72 0.09 -0.07 0.09 0.00 0.00 178.44 179.23 3kti h LEU 48 N 0.41 0.95 0.70 1.67 3.38 -0.85 -0.90 115.31 120.67 3kti h LEU 48 Ca 0.10 -0.22 -0.03 0.00 0.09 0.00 0.00 57.88 57.82 3kti h LEU 48 Cb 0.41 -0.25 0.01 0.00 0.09 0.00 0.00 40.66 40.92 3kti h LEU 48 CO 0.01 0.95 -0.34 0.15 0.09 0.00 0.00 178.44 179.31 3kti h PHE 49 N 0.94 -0.87 -0.69 1.13 3.57 -0.43 -1.76 116.94 118.83 3kti h PHE 49 Ca 0.19 -0.02 0.10 0.00 3.53 0.00 0.00 57.97 61.77 3kti h PHE 49 Cb 0.42 0.29 -0.04 0.00 2.79 0.00 0.00 35.95 39.40 3kti h PHE 49 CO 0.03 -0.51 0.46 -0.07 -2.23 0.00 0.00 178.31 175.98 3kti h LEU 50 N -1.14 0.49 -0.83 0.59 3.38 -1.07 0.20 115.31 116.92 3kti h LEU 50 Ca -0.10 0.01 -0.10 0.00 0.09 0.00 0.00 57.88 57.79 3kti h LEU 50 Cb 0.75 -0.09 -0.02 0.00 0.09 0.00 0.00 40.66 41.40 3kti h LEU 50 CO 0.16 0.29 -0.19 0.00 0.09 0.00 0.00 178.44 178.79 3kti h ALA 51 N 1.65 1.01 -0.13 1.53 0.00 -1.08 -1.09 119.26 121.16 3kti h ALA 51 Ca 0.32 -0.34 -0.14 0.00 0.00 0.00 0.00 54.91 54.75 3kti h ALA 51 Cb 0.53 -0.15 0.00 0.00 0.00 0.00 0.00 17.79 18.18 3kti h ALA 51 CO -0.11 0.59 -0.46 0.00 0.00 0.00 0.00 179.25 179.27 3kti h ALA 52 N 1.20 0.23 -0.53 0.00 0.00 -0.13 -2.26 119.26 117.77 3kti h ALA 52 Ca 0.09 -0.48 0.06 0.00 0.00 0.00 0.00 54.91 54.58 3kti h ALA 52 Cb 0.65 -0.02 -0.06 0.00 0.00 0.00 0.00 17.79 18.36 3kti h ALA 52 CO 0.05 0.38 0.23 1.49 0.00 0.00 0.00 179.25 181.40 3kti h GLU 53 N 0.17 0.42 -0.98 0.00 4.57 -0.49 -3.40 114.58 114.87 3kti h GLU 53 Ca -0.02 -0.03 0.04 0.00 -1.18 0.00 0.00 59.36 58.18 3kti h GLU 53 Cb 1.09 -0.10 -0.21 0.00 -0.16 0.00 0.00 28.75 29.37 3kti h GLU 53 CO 0.10 0.28 -0.35 0.34 -1.18 0.00 0.00 179.01 178.19 3kti s ASP 54 N -5.44 -1.57 0.00 1.04 -1.08 -0.43 -5.03 116.67 104.16 3kti s ASP 54 Ca -0.13 0.30 0.16 0.00 -0.52 0.00 0.00 52.55 52.36 3kti s ASP 54 Cb 0.15 2.04 0.71 0.00 -1.46 0.00 0.00 42.92 44.36 3kti s ASP 54 CO 0.74 -0.29 1.52 -0.81 0.52 0.00 0.00 175.17 176.84 3kti n PRO 55 N 5.42 0.03 -0.06 4.34 -0.04 -0.85 -3.41 135.00 140.42 3kti n PRO 55 Ca 0.04 0.21 -0.21 0.00 -0.04 0.00 0.00 63.50 63.50 3kti n PRO 55 Cb 0.54 -1.50 -0.13 0.00 -0.04 0.00 0.00 33.50 32.37 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 -1.47 0.69 -2.11 0.54 -0.58 -1.26 -2.84 120.64 113.61 3kti n GLU 56 Ca 0.04 0.25 -0.42 0.00 -0.42 0.00 0.00 57.16 56.61 3kti n GLU 56 Cb 0.18 -1.63 -0.03 0.00 -0.57 0.00 0.00 31.44 29.40 3kti n GLU 56 CO 0.00 0.00 0.00 0.15 -0.48 0.00 0.00 177.13 176.80 3kti s LYS 57 N -2.53 4.30 0.86 3.49 1.02 -1.22 -4.75 119.74 120.92 3kti s LYS 57 Ca -0.29 2.15 -0.11 0.00 0.02 0.00 0.00 55.97 57.75 3kti s LYS 57 Cb 0.08 -3.20 0.11 0.00 -0.52 0.00 0.00 37.83 34.30 3kti s LYS 57 CO 0.67 -0.44 1.10 -1.83 -0.92 0.00 0.00 175.35 173.93 3kti s GLU 58 N 0.76 1.50 0.15 1.68 -1.05 -1.26 -4.61 118.70 115.87 3kti s GLU 58 Ca 0.64 1.05 0.11 0.00 -0.15 0.00 0.00 54.97 56.61 3kti s GLU 58 Cb -0.39 -1.82 -0.04 0.00 -0.44 0.00 0.00 34.13 31.44 3kti s GLU 58 CO 0.33 -2.14 -0.23 0.42 0.95 0.00 0.00 175.26 174.60 3kti s ILE 59 N -2.86 2.49 -0.19 1.83 1.01 0.11 -4.93 121.20 118.66 3kti s ILE 59 Ca 0.63 -1.80 -0.00 0.00 0.00 0.00 0.00 60.65 59.48 3kti s ILE 59 Cb -0.19 -2.15 0.01 0.00 0.01 0.00 0.00 42.46 40.14 3kti s ILE 59 CO 0.57 0.00 -0.16 -0.44 0.00 0.00 0.00 174.94 174.92 3kti s SER 60 N -2.36 3.47 -0.37 3.58 0.01 -0.12 0.06 113.70 117.98 3kti s SER 60 Ca 0.18 -0.57 -0.10 0.00 1.31 0.00 0.00 55.95 56.77 3kti s SER 60 Cb -0.09 -1.55 0.03 0.00 0.21 0.00 0.00 66.02 64.61 3kti s SER 60 CO 0.09 0.00 0.19 -0.22 0.41 0.00 0.00 173.24 173.71 3kti s LEU 61 N 1.30 4.63 -0.01 2.44 2.96 0.43 0.25 118.68 130.67 3kti s LEU 61 Ca 0.04 -0.98 -0.21 0.00 -0.22 0.00 0.00 54.13 52.76 3kti s LEU 61 Cb -0.14 -2.00 -0.05 0.00 0.50 0.00 0.00 46.19 44.50 3kti s LEU 61 CO -0.09 -0.37 0.62 -0.31 -1.32 0.00 0.00 176.35 174.88 3kti s TYR 62 N 1.54 3.66 -0.12 5.38 1.51 0.16 -1.46 117.35 128.03 3kti s TYR 62 Ca 0.02 1.22 0.01 0.00 -1.01 0.00 0.00 57.07 57.30 3kti s TYR 62 Cb -0.19 -2.66 0.02 0.00 -0.11 0.00 0.00 41.96 39.02 3kti s TYR 62 CO 0.06 0.29 -0.13 0.42 -1.11 0.00 0.00 175.55 175.09 3kti s ILE 63 N 0.02 1.37 -0.41 2.71 1.01 0.14 -0.41 121.20 125.64 3kti s ILE 63 Ca 0.33 -0.54 0.04 0.00 0.00 0.00 0.00 60.65 60.48 3kti s ILE 63 Cb -0.18 -1.29 0.16 0.00 0.01 0.00 0.00 42.46 41.16 3kti s ILE 63 CO 0.18 0.42 0.40 0.21 0.00 0.00 0.00 174.94 176.14 3kti s ASN 64 N 1.30 1.07 -0.03 3.58 2.47 -0.54 -0.36 114.94 122.42 3kti s ASN 64 Ca -0.01 -2.25 -0.10 0.00 0.42 0.00 0.00 52.86 50.93 3kti s ASN 64 Cb -0.14 0.28 0.02 0.00 -1.45 0.00 0.00 41.25 39.96 3kti s ASN 64 CO -0.06 -0.20 0.22 -0.55 -3.72 0.00 0.00 177.10 172.80 3kti s SER 65 N 0.78 -0.13 0.00 -4.21 0.15 0.52 -3.38 113.70 107.42 3kti s SER 65 Ca 0.25 0.12 0.19 0.00 0.70 0.00 0.00 55.95 57.21 3kti s SER 65 Cb -0.07 0.34 0.83 0.00 -1.71 0.00 0.00 66.02 65.41 3kti s SER 65 CO -0.09 -0.30 1.58 -0.81 1.20 0.00 0.00 173.24 174.82 3kti n PRO 66 N 1.91 1.48 0.00 5.44 -0.04 -1.26 -1.30 135.00 141.23 3kti n PRO 66 Ca -0.19 -0.73 0.00 0.00 -0.04 0.00 0.00 63.50 62.54 3kti n PRO 66 Cb 0.57 -1.35 0.00 0.00 -0.04 0.00 0.00 33.50 32.68 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 1.00 -0.47 0.00 0.55 0.00 -1.10 -4.42 105.19 100.76 3kti n GLY 67 Ca 0.15 -1.71 0.00 0.00 0.00 0.00 0.00 46.02 44.45 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 -0.52 3.75 -0.02 0.00 -1.26 0.55 105.19 107.69 3kti n GLY 68 Ca 0.00 -0.45 -0.41 0.00 0.00 0.00 0.00 46.02 45.16 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 6.61 0.09 1.61 0.15 0.43 -4.78 113.70 113.81 3kti s SER 69 Ca 0.00 2.72 -0.18 0.00 0.70 0.00 0.00 55.95 59.19 3kti s SER 69 Cb 0.00 -2.63 -0.08 0.00 -1.71 0.00 0.00 66.02 61.60 3kti s SER 69 CO 0.00 -0.73 1.50 0.40 1.20 0.00 0.00 173.24 175.62 3kti h ILE 70 N 3.47 1.27 -0.29 6.45 2.04 -1.97 -1.16 117.51 127.33 3kti h ILE 70 Ca -0.46 -1.01 -0.09 0.00 1.00 0.00 0.00 64.86 64.29 3kti h ILE 70 Cb 1.22 1.39 -0.01 0.00 -0.74 0.00 0.00 36.82 38.67 3kti h ILE 70 CO 0.77 0.32 -0.21 0.71 0.00 0.00 0.00 178.15 179.74 3kti h THR 71 N 0.26 1.26 -0.38 -0.27 1.35 -1.99 -0.09 112.91 113.06 3kti h THR 71 Ca 0.07 -1.20 -0.15 0.00 -0.55 0.00 0.00 66.41 64.58 3kti h THR 71 Cb 0.49 1.26 -0.01 0.00 -1.73 0.00 0.00 68.15 68.16 3kti h THR 71 CO 0.02 0.39 -0.36 0.00 -0.25 0.00 0.00 175.52 175.32 3kti h ALA 72 N 1.31 0.64 -0.64 6.62 0.00 -1.90 -2.05 119.26 123.24 3kti h ALA 72 Ca 0.08 -0.44 -0.07 0.00 0.00 0.00 0.00 54.91 54.48 3kti h ALA 72 Cb 0.62 -0.13 -0.03 0.00 0.00 0.00 0.00 17.79 18.26 3kti h ALA 72 CO 0.04 0.67 0.14 0.78 0.00 0.00 0.00 179.25 180.88 3kti h GLY 73 N 0.84 1.09 2.00 0.00 0.00 -0.82 -2.57 103.07 103.61 3kti h GLY 73 Ca 0.07 -0.68 -0.06 0.00 0.00 0.00 0.00 47.33 46.66 3kti h GLY 73 CO 0.09 0.63 -0.29 -0.33 0.00 0.00 0.00 176.54 176.64 3kti h MET 74 N 0.96 0.00 -0.21 4.80 2.86 -0.83 -1.28 114.93 121.23 3kti h MET 74 Ca 0.20 0.00 -0.04 0.00 -2.06 0.00 0.00 59.70 57.80 3kti h MET 74 Cb 0.37 0.00 -0.01 0.00 0.06 0.00 0.00 31.60 32.02 3kti h MET 74 CO 0.00 0.29 -0.03 0.00 1.06 0.00 0.00 176.91 178.23 3kti h ALA 75 N 1.71 0.29 -0.05 6.32 0.00 -0.97 -0.42 119.26 126.14 3kti h ALA 75 Ca -0.00 -0.24 0.00 0.00 0.00 0.00 0.00 54.91 54.67 3kti h ALA 75 Cb 0.73 -0.08 -0.00 0.00 0.00 0.00 0.00 17.79 18.44 3kti h ALA 75 CO 0.04 0.05 0.03 0.82 0.00 0.00 0.00 179.25 180.19 3kti h ILE 76 N 0.13 1.03 -0.24 0.00 2.04 -1.30 -2.24 117.51 116.93 3kti h ILE 76 Ca 0.06 -0.07 0.05 0.00 1.00 0.00 0.00 64.86 65.90 3kti h ILE 76 Cb 0.46 0.98 -0.05 0.00 -0.74 0.00 0.00 36.82 37.48 3kti h ILE 76 CO 0.02 0.02 -0.08 0.22 0.00 0.00 0.00 178.15 178.33 3kti h TYR 77 N 0.05 -0.18 0.00 1.37 3.20 -1.14 -0.88 116.97 119.38 3kti h TYR 77 Ca 0.02 0.02 -0.05 0.00 3.14 0.00 0.00 58.73 61.86 3kti h TYR 77 Cb 0.01 0.12 -0.01 0.00 1.54 0.00 0.00 36.73 38.39 3kti h TYR 77 CO -0.07 -0.13 -0.23 -0.44 -1.64 0.00 0.00 178.16 175.65 3kti h ASP 78 N -0.03 0.00 -0.09 -2.11 3.45 -0.97 -2.49 116.42 114.18 3kti h ASP 78 Ca 0.12 0.00 -0.21 0.00 0.43 0.00 0.00 57.03 57.37 3kti h ASP 78 Cb 0.21 0.00 0.01 0.00 -0.56 0.00 0.00 39.33 38.99 3kti h ASP 78 CO -0.26 0.23 -0.76 0.74 -1.57 0.00 0.00 179.24 177.61 3kti h THR 79 N 0.00 1.31 -0.58 0.35 2.02 -0.78 -0.44 112.91 114.79 3kti h THR 79 Ca -0.00 -2.02 0.08 0.00 0.77 0.00 0.00 66.41 65.24 3kti h THR 79 Cb 0.42 2.19 -0.06 0.00 -1.74 0.00 0.00 68.15 68.96 3kti h THR 79 CO 0.03 0.62 0.24 0.24 0.37 0.00 0.00 175.52 177.02 3kti h MET 80 N 0.34 0.43 -0.07 6.66 2.86 -0.82 -1.77 114.93 122.57 3kti h MET 80 Ca -0.07 -0.03 -0.17 0.00 -2.06 0.00 0.00 59.70 57.37 3kti h MET 80 Cb 1.41 -0.10 -0.01 0.00 0.06 0.00 0.00 31.60 32.97 3kti h MET 80 CO 0.15 0.29 -0.70 1.96 1.06 0.00 0.00 176.91 179.67 3kti h GLN 81 N 0.45 0.32 -0.29 1.72 1.08 -1.41 -3.30 115.11 113.67 3kti h GLN 81 Ca 0.28 -0.25 -0.08 0.00 -1.45 0.00 0.00 58.65 57.15 3kti h GLN 81 Cb 0.29 0.05 -0.01 0.00 -0.05 0.00 0.00 27.48 27.77 3kti h GLN 81 CO -0.25 0.89 -0.11 0.35 -0.95 0.00 0.00 178.83 178.76 3kti h PHE 82 N 0.22 0.68 -4.17 2.96 3.57 -0.48 -3.45 116.94 116.26 3kti h PHE 82 Ca -0.02 -0.16 -0.51 0.00 3.53 0.00 0.00 57.97 60.81 3kti h PHE 82 Cb 1.26 -0.16 0.10 0.00 2.79 0.00 0.00 35.95 39.94 3kti h PHE 82 CO 0.03 0.81 0.39 0.96 -2.23 0.00 0.00 178.31 178.28 3kti s ILE 83 N -4.66 3.08 0.10 1.41 -4.36 -0.72 -4.98 121.20 111.06 3kti s ILE 83 Ca -0.13 0.55 -0.16 0.00 -0.26 0.00 0.00 60.65 60.64 3kti s ILE 83 Cb 0.08 -3.09 -0.07 0.00 1.25 0.00 0.00 42.46 40.63 3kti s ILE 83 CO 0.79 -0.27 1.48 0.11 0.24 0.00 0.00 174.94 177.29 3kti h LYS 84 N 0.27 0.60 -6.97 0.37 6.56 -1.88 -3.45 116.57 112.07 3kti h LYS 84 Ca -0.48 -0.25 -0.54 0.00 -1.06 0.00 0.00 60.65 58.33 3kti h LYS 84 Cb 1.26 -0.03 0.11 0.00 -0.57 0.00 0.00 32.23 33.01 3kti h LYS 84 CO 0.54 0.81 0.73 -2.14 -2.06 0.00 0.00 179.45 177.33 3kti s PRO 85 N -4.69 3.84 0.24 3.15 0.02 -1.13 -4.94 135.00 131.49 3kti s PRO 85 Ca -0.13 2.47 -0.30 0.00 0.02 0.00 0.00 61.00 63.06 3kti s PRO 85 Cb 0.08 -2.77 -0.09 0.00 0.02 0.00 0.00 34.50 31.75 3kti s PRO 85 CO 0.79 -0.71 0.98 0.15 -0.33 0.00 0.00 177.00 177.88 3kti s LYS 86 N -2.32 4.79 -0.25 5.54 1.02 -1.26 -4.81 119.74 122.44 3kti s LYS 86 Ca 0.58 1.56 -0.06 0.00 0.02 0.00 0.00 55.97 58.07 3kti s LYS 86 Cb -0.45 -3.27 -0.01 0.00 -0.52 0.00 0.00 37.83 33.58 3kti s LYS 86 CO 0.59 0.42 0.04 0.08 -0.92 0.00 0.00 175.35 175.55 3kti s VAL 87 N -1.05 3.91 0.28 3.17 1.01 -1.26 -0.71 120.40 125.75 3kti s VAL 87 Ca 0.42 -0.43 -0.13 0.00 0.00 0.00 0.00 61.98 61.85 3kti s VAL 87 Cb -0.27 -2.87 -0.08 0.00 0.00 0.00 0.00 36.38 33.16 3kti s VAL 87 CO 0.34 0.29 0.66 -0.44 0.00 0.00 0.00 175.10 175.95 3kti s SER 88 N 1.54 6.72 0.01 3.32 0.01 0.11 -0.50 113.70 124.91 3kti s SER 88 Ca 0.05 1.15 0.07 0.00 1.31 0.00 0.00 55.95 58.52 3kti s SER 88 Cb -0.15 -2.32 -0.02 0.00 0.21 0.00 0.00 66.02 63.74 3kti s SER 88 CO 0.01 -0.15 -0.20 0.42 0.41 0.00 0.00 173.24 173.73 3kti s THR 89 N -1.91 1.61 -0.09 1.44 -4.23 -0.72 -0.43 115.64 111.31 3kti s THR 89 Ca 0.51 -0.98 -0.00 0.00 -1.18 0.00 0.00 61.69 60.04 3kti s THR 89 Cb -0.11 -1.36 0.02 0.00 1.34 0.00 0.00 72.50 72.40 3kti s THR 89 CO 0.19 0.35 -0.06 -0.63 -0.54 0.00 0.00 174.62 173.93 3kti s ILE 90 N -0.59 0.84 -0.25 2.99 -1.09 -0.53 0.04 121.20 122.60 3kti s ILE 90 Ca 0.08 -0.19 -0.19 0.00 -2.23 0.00 0.00 60.65 58.11 3kti s ILE 90 Cb -0.08 -0.88 -0.02 0.00 -1.58 0.00 0.00 42.46 39.89 3kti s ILE 90 CO 0.00 0.33 0.56 0.00 -1.23 0.00 0.00 174.94 174.60 3kti s ILE 92 N 2.30 1.98 0.00 0.00 1.09 0.51 -2.29 121.20 124.80 3kti s ILE 92 Ca 0.23 -0.91 0.00 0.00 -1.10 0.00 0.00 60.65 58.88 3kti s ILE 92 Cb -0.16 -1.77 0.00 0.00 -1.06 0.00 0.00 42.46 39.47 3kti s ILE 92 CO 0.09 0.53 0.00 0.61 -0.10 0.00 0.00 174.94 176.07 3kti n GLY 93 N 4.39 1.67 2.95 6.18 0.00 -1.26 -4.03 105.19 115.09 3kti n GLY 93 Ca -0.20 0.21 -0.13 0.00 0.00 0.00 0.00 46.02 45.90 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 0.11 -0.37 1.61 -2.45 -1.26 -0.81 119.30 116.12 3kti s MET 94 Ca 0.00 0.26 0.02 0.00 -1.25 0.00 0.00 55.69 54.72 3kti s MET 94 Cb 0.00 -0.07 0.11 0.00 1.25 0.00 0.00 34.83 36.12 3kti s MET 94 CO 0.00 -0.09 0.12 0.00 1.05 0.00 0.00 175.02 176.10 3kti s ALA 95 N 0.64 2.37 0.10 4.11 0.00 -0.57 -0.35 121.76 128.05 3kti s ALA 95 Ca -0.05 -2.35 0.07 0.00 0.00 0.00 0.00 51.96 49.63 3kti s ALA 95 Cb -0.06 -1.86 -0.04 0.00 0.00 0.00 0.00 23.12 21.15 3kti s ALA 95 CO -0.03 -1.79 -0.11 0.00 0.00 0.00 0.00 175.76 173.84 3kti s ALA 96 N 0.90 2.92 0.00 0.00 0.00 -0.42 -1.86 121.76 123.31 3kti s ALA 96 Ca 0.12 -1.24 0.00 0.00 0.00 0.00 0.00 51.96 50.84 3kti s ALA 96 Cb -0.20 -0.88 0.00 0.00 0.00 0.00 0.00 23.12 22.04 3kti s ALA 96 CO -0.11 0.64 0.00 0.45 0.00 0.00 0.00 175.76 176.73 3kti n SER 97 N 0.76 0.00 0.33 0.00 2.88 0.72 -0.45 113.62 117.86 3kti n SER 97 Ca -0.14 0.00 0.21 0.00 -1.33 0.00 0.00 58.87 57.61 3kti n SER 97 Cb 0.52 0.00 1.13 0.00 -0.75 0.00 0.00 64.21 65.11 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 -0.24 -1.46 0.00 -1.86 0.17 114.93 111.54 3kti h MET 98 Ca 0.00 0.00 -0.16 0.00 0.00 0.00 0.00 59.70 59.54 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 -0.51 0.78 0.00 0.00 0.00 176.91 177.18 3kti h GLY 99 N 0.06 0.75 1.48 8.32 0.00 -1.04 -1.05 103.07 111.60 3kti h GLY 99 Ca -0.00 -0.84 -0.18 0.00 0.00 0.00 0.00 47.33 46.31 3kti h GLY 99 CO 0.00 0.76 -0.65 0.00 0.00 0.00 0.00 176.54 176.65 3kti h ALA 100 N 0.89 0.61 -0.12 3.60 0.00 -0.69 -1.75 119.26 121.80 3kti h ALA 100 Ca 0.02 -0.56 0.02 0.00 0.00 0.00 0.00 54.91 54.39 3kti h ALA 100 Cb 1.07 -0.07 -0.02 0.00 0.00 0.00 0.00 17.79 18.78 3kti h ALA 100 CO 0.10 0.72 0.01 0.35 0.00 0.00 0.00 179.25 180.43 3kti h PHE 101 N 0.38 0.01 -0.61 0.00 3.57 -0.75 -0.40 116.94 119.13 3kti h PHE 101 Ca -0.01 0.01 -0.06 0.00 3.53 0.00 0.00 57.97 61.44 3kti h PHE 101 Cb 1.21 0.01 -0.03 0.00 2.79 0.00 0.00 35.95 39.94 3kti h PHE 101 CO 0.05 -0.01 0.16 -0.07 -2.23 0.00 0.00 178.31 176.22 3kti h LEU 102 N 0.05 0.91 -0.38 0.59 3.38 -1.13 -1.91 115.31 116.83 3kti h LEU 102 Ca 0.05 -0.22 0.07 0.00 0.09 0.00 0.00 57.88 57.87 3kti h LEU 102 Cb 0.06 -0.24 -0.06 0.00 0.09 0.00 0.00 40.66 40.51 3kti h LEU 102 CO -0.09 0.90 -0.01 0.25 0.09 0.00 0.00 178.44 179.58 3kti h LEU 103 N 0.88 -0.17 -1.49 1.67 5.85 -0.88 -0.74 115.31 120.44 3kti h LEU 103 Ca 0.19 0.09 0.00 0.00 0.84 0.00 0.00 57.88 59.00 3kti h LEU 103 Cb 0.33 0.16 0.00 0.00 0.37 0.00 0.00 40.66 41.52 3kti h LEU 103 CO -0.00 -0.05 0.00 0.00 -0.34 0.00 0.00 178.44 178.05 3kti h ALA 104 N 1.33 1.00 -0.01 1.25 0.00 -0.70 -2.61 119.26 119.53 3kti h ALA 104 Ca 0.18 0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.09 3kti h ALA 104 Cb 0.26 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.05 3kti h ALA 104 CO -0.32 0.00 -0.05 0.00 0.00 0.00 0.00 179.25 178.88 3kti n ALA 105 N -1.97 2.70 -0.72 0.00 0.00 -0.29 -4.88 120.51 115.35 3kti n ALA 105 Ca 0.00 -0.33 -0.31 0.00 0.00 0.00 0.00 53.44 52.80 3kti n ALA 105 Cb 0.22 -1.29 0.16 0.00 0.00 0.00 0.00 19.45 18.54 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 -2.18 1.70 0.25 0.00 0.00 -0.98 -4.87 107.32 101.24 3kti s GLY 106 Ca 0.37 0.59 -0.30 0.00 0.00 0.00 0.00 44.72 45.37 3kti s GLY 106 CO 0.40 1.00 1.31 -2.21 0.00 0.00 0.00 173.10 173.60 3kti n GLU 107 N -4.19 1.85 -1.69 2.90 4.07 0.35 -4.82 120.64 119.10 3kti n GLU 107 Ca 0.12 0.65 -0.43 0.00 -0.06 0.00 0.00 57.16 57.44 3kti n GLU 107 Cb 0.52 -2.24 -0.03 0.00 -0.06 0.00 0.00 31.44 29.62 3kti n GLU 107 CO 0.00 0.00 0.00 1.17 -0.06 0.00 0.00 177.13 178.24 3kti n LYS 108 N 1.58 2.65 0.00 5.31 3.00 -1.26 -0.74 118.16 128.70 3kti n LYS 108 Ca 0.11 0.96 0.00 0.00 -0.00 0.00 0.00 58.31 59.38 3kti n LYS 108 Cb 0.31 -2.84 0.00 0.00 0.00 0.00 0.00 35.03 32.51 3kti n LYS 108 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.40 177.81 3kti n GLY 109 N 4.13 0.69 0.67 3.14 0.00 -1.26 -4.88 105.19 107.68 3kti n GLY 109 Ca 0.18 0.00 0.06 0.00 0.00 0.00 0.00 46.02 46.26 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 -2.00 1.38 -3.72 1.61 4.76 0.08 -4.90 118.16 115.36 3kti n LYS 110 Ca 0.00 -3.10 -0.37 0.00 -2.87 0.00 0.00 58.31 51.96 3kti n LYS 110 Cb 0.00 -1.42 -0.12 0.00 -1.84 0.00 0.00 35.03 31.65 3kti n LYS 110 CO 0.00 0.00 0.00 1.03 -1.37 0.00 0.00 177.40 177.06 3kti s ARG 111 N -2.83 3.39 0.33 1.97 0.52 -1.23 -1.75 118.95 119.34 3kti s ARG 111 Ca 0.37 -0.67 0.07 0.00 -0.52 0.00 0.00 55.73 54.99 3kti s ARG 111 Cb 0.36 -3.42 -0.06 0.00 0.52 0.00 0.00 34.95 32.35 3kti s ARG 111 CO -0.08 -0.34 -0.05 0.71 0.02 0.00 0.00 175.30 175.57 3kti s TYR 112 N 1.58 2.20 -0.05 -0.53 1.51 0.11 -0.50 117.35 121.66 3kti s TYR 112 Ca 0.05 -0.65 -0.21 0.00 -1.01 0.00 0.00 57.07 55.25 3kti s TYR 112 Cb -0.16 -1.33 0.04 0.00 -0.11 0.00 0.00 41.96 40.40 3kti s TYR 112 CO 0.04 0.39 0.46 0.00 -1.11 0.00 0.00 175.55 175.33 3kti s ALA 113 N -2.85 -1.19 0.51 3.71 0.00 -0.91 -0.45 121.76 120.58 3kti s ALA 113 Ca 0.32 0.83 -0.18 0.00 0.00 0.00 0.00 51.96 52.93 3kti s ALA 113 Cb 0.05 -0.09 -0.08 0.00 0.00 0.00 0.00 23.12 23.00 3kti s ALA 113 CO 0.15 -0.29 1.00 -0.51 0.00 0.00 0.00 175.76 176.10 3kti s LEU 114 N -1.04 3.71 0.34 0.00 1.43 -0.97 -0.08 118.68 122.07 3kti s LEU 114 Ca -0.11 1.70 0.13 0.00 -1.03 0.00 0.00 54.13 54.83 3kti s LEU 114 Cb -0.03 -4.53 1.01 0.00 0.03 0.00 0.00 46.19 42.67 3kti s LEU 114 CO 0.06 -0.68 1.70 -0.65 0.23 0.00 0.00 176.35 177.01 3kti h PRO 115 N 1.15 0.43 -0.38 1.29 0.11 -1.93 -2.22 132.00 130.45 3kti h PRO 115 Ca -0.48 -0.03 0.00 0.00 0.11 0.00 0.00 66.00 65.61 3kti h PRO 115 Cb 1.20 -0.10 0.00 0.00 0.11 0.00 0.00 31.00 32.21 3kti h PRO 115 CO 0.60 0.28 0.00 0.09 -0.21 0.00 0.00 178.00 178.76 3kti n ASN 116 N -4.93 4.00 -4.89 -2.05 4.13 -1.26 -4.44 115.26 105.82 3kti n ASN 116 Ca 0.29 -2.66 -0.30 0.00 1.68 0.00 0.00 54.58 53.59 3kti n ASN 116 Cb 0.88 -0.49 0.06 0.00 -1.54 0.00 0.00 39.78 38.69 3kti n ASN 116 CO 0.00 0.00 0.00 -0.94 0.28 0.00 0.00 177.26 176.60 3kti s SER 117 N -1.41 5.22 0.17 6.41 1.04 -0.84 -4.86 113.70 119.43 3kti s SER 117 Ca 0.40 1.03 0.09 0.00 0.48 0.00 0.00 55.95 57.95 3kti s SER 117 Cb 0.29 -1.75 -0.04 0.00 0.10 0.00 0.00 66.02 64.62 3kti s SER 117 CO 0.14 -1.47 -0.19 -1.61 0.98 0.00 0.00 173.24 171.09 3kti s GLU 118 N -5.40 1.30 -0.05 4.02 2.02 0.01 -3.06 118.70 117.54 3kti s GLU 118 Ca 0.59 -1.41 0.01 0.00 0.02 0.00 0.00 54.97 54.18 3kti s GLU 118 Cb -0.11 -1.42 0.02 0.00 0.10 0.00 0.00 34.13 32.72 3kti s GLU 118 CO 0.51 0.29 -0.06 0.08 0.02 0.00 0.00 175.26 176.10 3kti s VAL 119 N -1.93 0.66 -0.06 2.63 1.01 -0.52 -1.52 120.40 120.68 3kti s VAL 119 Ca 0.16 -0.18 0.02 0.00 0.00 0.00 0.00 61.98 61.98 3kti s VAL 119 Cb -0.06 -0.67 0.01 0.00 0.00 0.00 0.00 36.38 35.66 3kti s VAL 119 CO 0.07 0.26 -0.11 -0.32 0.00 0.00 0.00 175.10 174.99 3kti s MET 120 N 0.99 1.56 0.10 2.72 0.00 -0.78 -0.65 119.30 123.24 3kti s MET 120 Ca -0.10 -0.39 0.09 0.00 0.00 0.00 0.00 55.69 55.30 3kti s MET 120 Cb -0.14 -1.32 -0.04 0.00 0.00 0.00 0.00 34.83 33.33 3kti s MET 120 CO -0.00 0.04 -0.23 0.96 0.00 0.00 0.00 175.02 175.79 3kti s ILE 121 N 0.61 1.89 0.00 10.11 -4.36 -0.94 -0.20 121.20 128.32 3kti s ILE 121 Ca -0.13 -1.57 0.00 0.00 -0.26 0.00 0.00 60.65 58.69 3kti s ILE 121 Cb -0.15 -1.69 0.00 0.00 1.25 0.00 0.00 42.46 41.87 3kti s ILE 121 CO 0.03 0.03 0.00 0.00 0.24 0.00 0.00 174.94 175.24 3kti n HIS 122 N 1.14 -0.15 -3.77 1.37 1.44 -1.26 -1.17 115.22 112.82 3kti n HIS 122 Ca -0.19 0.00 -0.21 0.00 -2.01 0.00 0.00 57.72 55.31 3kti n HIS 122 Cb 0.53 0.00 -0.03 0.00 0.12 0.00 0.00 29.99 30.61 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 0.48 2.76 0.47 -1.40 -2.07 -0.82 -4.87 119.66 114.22 3kti s GLN 123 Ca 0.00 -1.27 -0.23 0.00 -1.82 0.00 0.00 55.36 52.04 3kti s GLN 123 Cb 0.00 -2.51 -0.08 0.00 -1.09 0.00 0.00 33.01 29.33 3kti s GLN 123 CO 0.00 0.09 1.16 -2.30 -1.32 0.00 0.00 175.29 172.92 3kti n PRO 124 N -1.40 1.56 -4.50 9.60 -0.02 -1.26 -5.01 135.00 133.96 3kti n PRO 124 Ca -0.02 0.56 -0.31 0.00 -2.02 0.00 0.00 63.50 61.71 3kti n PRO 124 Cb 0.60 -2.28 -0.11 0.00 -0.02 0.00 0.00 33.50 31.68 3kti n PRO 124 CO 0.00 0.00 0.00 -0.51 1.98 0.00 0.00 175.50 176.97 3kti s LEU 125 N -1.69 2.98 0.00 2.45 1.43 -1.26 -5.09 118.68 117.50 3kti s LEU 125 Ca 0.66 -0.26 0.00 0.00 -1.03 0.00 0.00 54.13 53.50 3kti s LEU 125 Cb -0.49 -1.73 0.00 0.00 0.03 0.00 0.00 46.19 44.00 3kti s LEU 125 CO 0.54 0.26 0.00 0.61 0.23 0.00 0.00 176.35 178.00 3kti n GLY 126 N 1.46 1.60 3.44 -3.19 0.00 -1.26 -5.06 105.19 102.18 3kti n GLY 126 Ca -0.15 -0.95 -0.12 0.00 0.00 0.00 0.00 46.02 44.80 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 -1.48 1.17 -0.29 -0.02 0.00 -1.26 -5.17 107.32 100.27 3kti s GLY 127 Ca 0.00 -1.36 -0.17 0.00 0.00 0.00 0.00 44.72 43.20 3kti s GLY 127 CO 0.00 -0.99 1.01 0.00 0.00 0.00 0.00 173.10 173.12 3kti s ALA 128 N -3.71 -2.28 -0.01 3.20 0.00 -1.26 -4.93 121.76 112.78 3kti s ALA 128 Ca 0.30 2.16 -0.04 0.00 0.00 0.00 0.00 51.96 54.38 3kti s ALA 128 Cb 0.02 -1.71 -0.00 0.00 0.00 0.00 0.00 23.12 21.43 3kti s ALA 128 CO 0.14 -0.33 0.07 -0.65 0.00 0.00 0.00 175.76 174.99 3kti s GLN 129 N 1.21 0.28 0.00 0.00 1.11 -1.26 -5.01 119.66 115.98 3kti s GLN 129 Ca -0.08 -0.23 0.00 0.00 0.01 0.00 0.00 55.36 55.06 3kti s GLN 129 Cb -0.04 0.11 0.00 0.00 -1.01 0.00 0.00 33.01 32.08 3kti s GLN 129 CO -0.14 -0.05 0.00 0.41 0.01 0.00 0.00 175.29 175.52 3kti n GLY 130 N 2.16 0.30 3.80 3.09 0.00 -1.26 -4.76 105.19 108.53 3kti n GLY 130 Ca -0.19 -1.94 -0.33 0.00 0.00 0.00 0.00 46.02 43.56 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 -0.35 3.45 0.22 1.61 -0.21 -1.26 -4.81 119.66 118.31 3kti s GLN 131 Ca 0.00 1.28 -0.12 0.00 0.02 0.00 0.00 55.36 56.54 3kti s GLN 131 Cb 0.00 -2.05 0.28 0.00 1.00 0.00 0.00 33.01 32.24 3kti s GLN 131 CO 0.00 -0.71 1.62 0.00 -2.12 0.00 0.00 175.29 174.07 3kti h ALA 132 N 0.80 0.47 0.00 6.09 0.00 -1.99 0.28 119.26 124.91 3kti h ALA 132 Ca -0.48 0.27 -0.03 0.00 0.00 0.00 0.00 54.91 54.67 3kti h ALA 132 Cb 1.22 0.52 -0.00 0.00 0.00 0.00 0.00 17.79 19.53 3kti h ALA 132 CO 0.58 -0.42 -0.16 1.79 0.00 0.00 0.00 179.25 181.04 3kti h THR 133 N 0.00 0.98 -0.10 0.00 1.35 -1.99 0.07 112.91 113.23 3kti h THR 133 Ca 0.34 -0.57 -0.22 0.00 -0.55 0.00 0.00 66.41 65.40 3kti h THR 133 Cb 0.52 1.32 0.01 0.00 -1.73 0.00 0.00 68.15 68.26 3kti h THR 133 CO -0.71 0.16 -0.83 -0.33 -0.25 0.00 0.00 175.52 173.55 3kti h GLU 134 N 0.00 0.67 -0.47 4.72 5.08 -0.91 -1.98 114.58 121.69 3kti h GLU 134 Ca -0.00 -0.59 -0.09 0.00 -1.00 0.00 0.00 59.36 57.68 3kti h GLU 134 Cb 0.31 0.14 -0.02 0.00 0.50 0.00 0.00 28.75 29.67 3kti h GLU 134 CO 0.02 1.20 -0.07 0.82 -1.00 0.00 0.00 179.01 179.98 3kti h ILE 135 N 0.44 1.26 -0.67 3.13 2.04 -0.39 -2.55 117.51 120.77 3kti h ILE 135 Ca -0.07 -1.14 -0.06 0.00 1.00 0.00 0.00 64.86 64.60 3kti h ILE 135 Cb 1.46 0.97 -0.03 0.00 -0.74 0.00 0.00 36.82 38.48 3kti h ILE 135 CO 0.16 0.40 0.19 -0.08 0.00 0.00 0.00 178.15 178.82 3kti h GLU 136 N 0.76 1.05 -0.16 2.37 4.81 -0.89 0.36 114.58 122.88 3kti h GLU 136 Ca 0.13 -0.24 0.01 0.00 -0.13 0.00 0.00 59.36 59.14 3kti h GLU 136 Cb 0.56 -0.15 -0.02 0.00 0.63 0.00 0.00 28.75 29.78 3kti h GLU 136 CO 0.03 0.92 0.05 0.82 -0.73 0.00 0.00 179.01 180.11 3kti h ILE 137 N 0.98 0.96 -0.58 2.32 1.08 -1.12 -0.77 117.51 120.38 3kti h ILE 137 Ca 0.21 -0.04 -0.04 0.00 -0.39 0.00 0.00 64.86 64.60 3kti h ILE 137 Cb 0.32 0.82 -0.03 0.00 -3.07 0.00 0.00 36.82 34.87 3kti h ILE 137 CO -0.00 0.02 0.22 0.00 -0.69 0.00 0.00 178.15 177.70 3kti h ALA 138 N 1.10 0.75 -0.12 1.87 0.00 -1.22 -2.26 119.26 119.37 3kti h ALA 138 Ca 0.07 -0.17 -0.00 0.00 0.00 0.00 0.00 54.91 54.80 3kti h ALA 138 Cb 0.04 -0.23 -0.01 0.00 0.00 0.00 0.00 17.79 17.60 3kti h ALA 138 CO -0.07 0.38 0.07 0.00 0.00 0.00 0.00 179.25 179.63 3kti h ALA 139 N 1.07 0.16 -0.79 0.00 0.00 -0.68 -2.15 119.26 116.87 3kti h ALA 139 Ca 0.19 -0.05 0.01 0.00 0.00 0.00 0.00 54.91 55.06 3kti h ALA 139 Cb 0.23 -0.05 -0.04 0.00 0.00 0.00 0.00 17.79 17.93 3kti h ALA 139 CO -0.01 -0.31 0.52 0.87 0.00 0.00 0.00 179.25 180.32 3kti h LYS 140 N 0.11 1.02 -0.01 0.00 1.57 -1.06 -1.70 116.57 116.50 3kti h LYS 140 Ca 0.04 -0.06 -0.00 0.00 -1.87 0.00 0.00 60.65 58.76 3kti h LYS 140 Cb 0.07 -0.23 -0.00 0.00 0.08 0.00 0.00 32.23 32.15 3kti h LYS 140 CO -0.01 0.67 0.01 -0.09 -0.57 0.00 0.00 179.45 179.46 3kti h ARG 141 N 1.05 0.02 -0.28 3.15 2.43 -1.22 -1.17 114.38 118.36 3kti h ARG 141 Ca 0.29 -0.00 -0.07 0.00 -0.81 0.00 0.00 59.98 59.39 3kti h ARG 141 Cb -0.09 -0.00 -0.02 0.00 -0.42 0.00 0.00 29.97 29.44 3kti h ARG 141 CO -0.07 0.11 -0.13 0.97 -1.51 0.00 0.00 179.97 179.34 3kti h ILE 142 N -0.08 1.23 -0.34 1.20 2.10 -1.25 0.73 117.51 121.11 3kti h ILE 142 Ca 0.00 -1.02 -0.13 0.00 1.08 0.00 0.00 64.86 64.80 3kti h ILE 142 Cb 0.10 1.16 -0.01 0.00 -1.09 0.00 0.00 36.82 36.98 3kti h ILE 142 CO -0.00 0.33 -0.33 -0.07 -1.08 0.00 0.00 178.15 177.00 3kti h LEU 143 N 0.44 0.79 -0.85 2.19 3.38 -1.22 -1.29 115.31 118.74 3kti h LEU 143 Ca 0.08 -0.33 -0.10 0.00 0.09 0.00 0.00 57.88 57.63 3kti h LEU 143 Cb 0.49 -0.22 -0.02 0.00 0.09 0.00 0.00 40.66 41.01 3kti h LEU 143 CO 0.03 1.05 -0.18 -0.07 0.09 0.00 0.00 178.44 179.36 3kti h LEU 144 N 0.63 0.66 -0.30 1.67 3.38 -0.57 -2.05 115.31 118.73 3kti h LEU 144 Ca 0.07 -0.21 -0.01 0.00 0.09 0.00 0.00 57.88 57.81 3kti h LEU 144 Cb 0.87 -0.18 -0.01 0.00 0.09 0.00 0.00 40.66 41.43 3kti h LEU 144 CO 0.08 0.84 0.14 -0.07 0.09 0.00 0.00 178.44 179.51 3kti h LEU 145 N 0.59 0.40 -0.23 1.67 3.38 -0.50 -1.47 115.31 119.15 3kti h LEU 145 Ca 0.09 -0.14 0.01 0.00 0.09 0.00 0.00 57.88 57.93 3kti h LEU 145 Cb 0.63 -0.10 -0.02 0.00 0.09 0.00 0.00 40.66 41.26 3kti h LEU 145 CO 0.04 0.43 0.12 -0.09 0.09 0.00 0.00 178.44 179.04 3kti h ARG 146 N 0.34 0.25 -0.78 1.13 2.43 -1.10 -0.61 114.38 116.05 3kti h ARG 146 Ca 0.10 -0.02 0.04 0.00 -0.81 0.00 0.00 59.98 59.30 3kti h ARG 146 Cb 0.14 -0.06 -0.05 0.00 -0.42 0.00 0.00 29.97 29.58 3kti h ARG 146 CO -0.01 0.17 0.48 -0.44 -1.51 0.00 0.00 179.97 178.66 3kti h ASP 147 N 0.26 0.78 -0.28 -3.80 3.32 -1.20 0.26 116.42 115.75 3kti h ASP 147 Ca 0.09 0.01 -0.02 0.00 0.02 0.00 0.00 57.03 57.13 3kti h ASP 147 Cb 0.01 -0.16 -0.01 0.00 0.22 0.00 0.00 39.33 39.39 3kti h ASP 147 CO -0.05 0.52 0.10 0.50 -1.72 0.00 0.00 179.24 178.59 3kti h LYS 148 N 0.92 0.42 -0.44 3.56 3.64 -0.83 -1.06 116.57 122.78 3kti h LYS 148 Ca 0.33 -0.08 -0.13 0.00 -1.27 0.00 0.00 60.65 59.49 3kti h LYS 148 Cb 0.09 -0.06 -0.01 0.00 -0.41 0.00 0.00 32.23 31.83 3kti h LYS 148 CO -0.14 0.47 -0.25 -0.07 -2.27 0.00 0.00 179.45 177.19 3kti h LEU 149 N 0.29 0.98 -0.91 5.20 3.38 -0.73 -2.73 115.31 120.79 3kti h LEU 149 Ca 0.09 -0.41 -0.04 0.00 0.09 0.00 0.00 57.88 57.61 3kti h LEU 149 Cb 0.21 -0.27 -0.04 0.00 0.09 0.00 0.00 40.66 40.65 3kti h LEU 149 CO -0.01 1.18 0.35 0.78 0.09 0.00 0.00 178.44 180.83 3kti h ASN 150 N 0.78 1.04 -0.41 -0.43 2.35 -0.41 -0.81 115.58 117.69 3kti h ASN 150 Ca 0.09 -0.14 -0.09 0.00 -0.55 0.00 0.00 56.30 55.62 3kti h ASN 150 Cb 0.82 -0.27 -0.02 0.00 0.05 0.00 0.00 38.32 38.91 3kti h ASN 150 CO 0.07 0.90 -0.05 0.11 -1.65 0.00 0.00 177.43 176.81 3kti h LYS 151 N 1.12 0.83 -0.30 0.81 1.57 -1.11 -0.35 116.57 119.14 3kti h LYS 151 Ca 0.27 -0.25 -0.16 0.00 -1.87 0.00 0.00 60.65 58.63 3kti h LYS 151 Cb 0.16 -0.08 -0.00 0.00 0.08 0.00 0.00 32.23 32.38 3kti h LYS 151 CO -0.03 0.86 -0.44 0.28 -0.57 0.00 0.00 179.45 179.55 3kti h VAL 152 N 0.76 1.28 -0.70 0.50 2.07 -1.17 -1.85 116.25 117.15 3kti h VAL 152 Ca 0.14 -1.62 -0.01 0.00 0.82 0.00 0.00 66.70 66.03 3kti h VAL 152 Cb 0.52 1.58 -0.03 0.00 -1.52 0.00 0.00 31.29 31.84 3kti h VAL 152 CO 0.03 0.53 0.39 -0.07 0.02 0.00 0.00 177.57 178.47 3kti h LEU 153 N 0.61 0.87 -0.34 2.57 3.38 -0.90 0.26 115.31 121.76 3kti h LEU 153 Ca 0.03 -0.09 0.01 0.00 0.09 0.00 0.00 57.88 57.92 3kti h LEU 153 Cb 1.04 -0.22 -0.02 0.00 0.09 0.00 0.00 40.66 41.55 3kti h LEU 153 CO 0.10 0.70 0.21 0.00 0.09 0.00 0.00 178.44 179.55 3kti h ALA 154 N 1.20 0.42 -0.71 1.53 0.00 -0.98 0.11 119.26 120.83 3kti h ALA 154 Ca 0.25 -0.02 -0.05 0.00 0.00 0.00 0.00 54.91 55.09 3kti h ALA 154 Cb 0.02 -0.12 -0.03 0.00 0.00 0.00 0.00 17.79 17.66 3kti h ALA 154 CO -0.04 -0.13 0.23 0.93 0.00 0.00 0.00 179.25 180.24 3kti h GLU 155 N 0.44 1.10 -0.08 0.00 5.08 -0.76 -0.33 114.58 120.02 3kti h GLU 155 Ca 0.13 -0.23 -0.18 0.00 -1.00 0.00 0.00 59.36 58.08 3kti h GLU 155 Cb -0.03 -0.16 -0.01 0.00 0.50 0.00 0.00 28.75 29.05 3kti h GLU 155 CO -0.04 0.94 -0.71 0.00 -1.00 0.00 0.00 179.01 178.20 3kti h ARG 156 N 1.04 0.39 0.00 2.33 2.47 -0.18 -3.32 114.38 117.11 3kti h ARG 156 Ca 0.23 -0.31 -0.14 0.00 -1.26 0.00 0.00 59.98 58.49 3kti h ARG 156 Cb 0.29 0.06 -0.03 0.00 -1.65 0.00 0.00 29.97 28.65 3kti h ARG 156 CO -0.01 0.95 -1.45 0.25 0.56 0.00 0.00 179.97 180.27 3kti n THR 157 N -3.84 1.04 -0.12 2.04 -2.24 0.35 -4.88 114.28 106.63 3kti n THR 157 Ca -0.04 -0.67 0.00 0.00 -2.27 0.00 0.00 64.05 61.07 3kti n THR 157 Cb 0.70 -0.62 0.00 0.00 -2.10 0.00 0.00 70.33 68.31 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 1.38 0.92 3.79 3.38 0.00 -0.14 -4.53 105.19 109.98 3kti n GLY 158 Ca -0.09 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 45.57 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 -0.65 4.07 0.62 1.61 -1.52 -1.16 -5.00 119.66 117.63 3kti s GLN 159 Ca 0.00 1.46 -0.17 0.00 -1.95 0.00 0.00 55.36 54.70 3kti s GLN 159 Cb 0.00 -2.42 -0.02 0.00 -0.22 0.00 0.00 33.01 30.35 3kti s GLN 159 CO 0.00 -0.22 1.16 -1.25 -0.25 0.00 0.00 175.29 174.73 3kti s PRO 160 N -2.70 2.89 0.26 2.91 0.04 -1.26 -4.58 135.00 132.56 3kti s PRO 160 Ca 0.60 1.63 -0.02 0.00 0.04 0.00 0.00 61.00 63.25 3kti s PRO 160 Cb -0.20 -1.94 0.45 0.00 0.04 0.00 0.00 34.50 32.85 3kti s PRO 160 CO 0.25 -1.22 1.83 1.25 0.04 0.00 0.00 177.00 179.15 3kti h LEU 161 N 0.52 0.82 -1.33 -3.56 5.85 -1.92 -1.45 115.31 114.24 3kti h LEU 161 Ca -0.49 0.04 0.05 0.00 0.84 0.00 0.00 57.88 58.32 3kti h LEU 161 Cb 1.27 -0.12 -0.04 0.00 0.37 0.00 0.00 40.66 42.14 3kti h LEU 161 CO 0.54 0.46 0.49 -0.33 -0.34 0.00 0.00 178.44 179.26 3kti h GLU 162 N 0.92 0.82 -0.25 1.25 4.39 -1.98 -0.22 114.58 119.50 3kti h GLU 162 Ca 0.44 -0.05 -0.07 0.00 0.34 0.00 0.00 59.36 60.02 3kti h GLU 162 Cb 0.38 -0.18 -0.01 0.00 -0.10 0.00 0.00 28.75 28.84 3kti h GLU 162 CO -0.24 0.54 -0.11 0.28 -1.16 0.00 0.00 179.01 178.31 3kti h VAL 163 N 0.84 1.30 -0.35 3.13 2.07 -1.63 -2.06 116.25 119.55 3kti h VAL 163 Ca 0.31 -1.18 0.00 0.00 0.82 0.00 0.00 66.70 66.65 3kti h VAL 163 Cb 0.15 1.54 -0.02 0.00 -1.52 0.00 0.00 31.29 31.45 3kti h VAL 163 CO -0.10 0.37 0.22 0.40 0.02 0.00 0.00 177.57 178.49 3kti h ILE 164 N 0.24 1.10 -0.27 4.57 1.08 -0.99 0.61 117.51 123.84 3kti h ILE 164 Ca 0.06 -0.20 0.04 0.00 -0.39 0.00 0.00 64.86 64.36 3kti h ILE 164 Cb 0.61 0.61 -0.03 0.00 -3.07 0.00 0.00 36.82 34.94 3kti h ILE 164 CO 0.03 0.10 0.06 -0.33 -0.69 0.00 0.00 178.15 177.32 3kti h GLU 165 N 0.46 0.16 -0.34 2.37 5.08 -1.01 -0.86 114.58 120.46 3kti h GLU 165 Ca 0.13 -0.01 -0.13 0.00 -1.00 0.00 0.00 59.36 58.35 3kti h GLU 165 Cb -0.03 -0.04 -0.01 0.00 0.50 0.00 0.00 28.75 29.17 3kti h GLU 165 CO -0.03 0.11 -0.31 -0.09 -1.00 0.00 0.00 179.01 177.69 3kti h ARG 166 N 0.17 0.73 0.00 2.33 2.43 -1.19 -3.12 114.38 115.73 3kti h ARG 166 Ca 0.13 -0.34 0.00 0.00 -0.81 0.00 0.00 59.98 58.96 3kti h ARG 166 Cb 0.12 -0.01 0.00 0.00 -0.42 0.00 0.00 29.97 29.66 3kti h ARG 166 CO -0.16 0.95 0.00 -0.44 -1.51 0.00 0.00 179.97 178.81 3kti h ASP 167 N 0.62 0.00 -0.60 -3.80 3.32 -0.51 -3.08 116.42 112.38 3kti h ASP 167 Ca 0.07 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.12 3kti h ASP 167 Cb 0.84 0.00 0.00 0.00 0.22 0.00 0.00 39.33 40.39 3kti h ASP 167 CO 0.07 0.00 0.00 0.35 -1.72 0.00 0.00 179.24 177.94 3kti n THR 168 N -3.05 0.81 -0.22 0.35 -2.24 -0.36 -4.47 114.28 105.10 3kti n THR 168 Ca 0.02 -0.90 -0.02 0.00 -2.27 0.00 0.00 64.05 60.87 3kti n THR 168 Cb 0.39 0.69 0.08 0.00 -2.10 0.00 0.00 70.33 69.39 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 4.36 0.52 -3.33 3.42 -0.00 -1.51 -2.17 116.42 117.71 3kti h ASP 169 Ca 0.00 0.03 -0.52 0.00 -0.00 0.00 0.00 57.03 56.53 3kti h ASP 169 Cb 0.99 -0.08 -0.13 0.00 -0.00 0.00 0.00 39.33 40.11 3kti h ASP 169 CO 0.00 0.34 -0.54 -0.13 -0.00 0.00 0.00 179.24 178.91 3kti s ARG 170 N -6.11 1.84 -0.12 0.28 0.52 -1.26 -4.61 118.95 109.49 3kti s ARG 170 Ca -0.13 -2.09 -0.34 0.00 -0.52 0.00 0.00 55.73 52.64 3kti s ARG 170 Cb 0.15 -0.60 -0.12 0.00 0.52 0.00 0.00 34.95 34.91 3kti s ARG 170 CO 0.75 -0.42 1.91 -0.25 0.02 0.00 0.00 175.30 177.32 3kti n ASP 171 N -1.14 3.32 -4.04 0.23 9.92 -1.26 -4.49 116.55 119.10 3kti n ASP 171 Ca -0.05 0.91 -0.33 0.00 -0.53 0.00 0.00 54.79 54.80 3kti n ASP 171 Cb 0.65 -1.36 -0.13 0.00 -0.64 0.00 0.00 41.12 39.64 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 4.46 4.84 -0.10 -2.24 3.04 -0.31 -4.99 114.94 119.63 3kti s ASN 172 Ca 0.95 -2.55 -0.23 0.00 0.04 0.00 0.00 52.86 51.07 3kti s ASN 172 Cb -0.71 -1.72 -0.03 0.00 -1.54 0.00 0.00 41.25 37.25 3kti s ASN 172 CO 0.52 -0.37 0.69 -0.36 -3.04 0.00 0.00 177.10 174.54 3kti s PHE 173 N 0.37 3.53 0.05 0.43 0.08 -1.26 -2.20 117.98 118.98 3kti s PHE 173 Ca 0.14 1.19 0.05 0.00 0.12 0.00 0.00 56.93 58.42 3kti s PHE 173 Cb -0.22 -2.81 -0.02 0.00 -0.57 0.00 0.00 43.02 39.39 3kti s PHE 173 CO -0.04 0.02 -0.14 0.15 -0.10 0.00 0.00 175.22 175.11 3kti s LYS 174 N 1.09 0.91 0.90 0.44 1.02 0.17 -5.00 119.74 119.26 3kti s LYS 174 Ca 0.36 -0.85 -0.14 0.00 0.02 0.00 0.00 55.97 55.36 3kti s LYS 174 Cb -0.17 -0.93 0.14 0.00 -0.52 0.00 0.00 37.83 36.36 3kti s LYS 174 CO 0.16 0.22 1.24 -1.54 -0.92 0.00 0.00 175.35 174.51 3kti s SER 175 N -1.39 3.71 0.17 2.83 1.04 -1.26 -1.43 113.70 117.37 3kti s SER 175 Ca 0.01 0.55 -0.14 0.00 0.48 0.00 0.00 55.95 56.84 3kti s SER 175 Cb -0.09 -0.83 0.07 0.00 0.10 0.00 0.00 66.02 65.27 3kti s SER 175 CO 0.02 -2.39 1.82 0.00 0.98 0.00 0.00 173.24 173.67 3kti h ALA 176 N -1.40 0.63 -0.33 5.32 0.00 -1.75 0.63 119.26 122.36 3kti h ALA 176 Ca -0.45 -0.02 0.02 0.00 0.00 0.00 0.00 54.91 54.46 3kti h ALA 176 Cb 1.28 -0.16 -0.03 0.00 0.00 0.00 0.00 17.79 18.88 3kti h ALA 176 CO 0.52 0.02 0.15 1.49 0.00 0.00 0.00 179.25 181.43 3kti h GLU 177 N 0.62 0.31 -0.66 0.00 4.81 -1.91 -0.27 114.58 117.47 3kti h GLU 177 Ca 0.19 -0.02 -0.04 0.00 -0.13 0.00 0.00 59.36 59.36 3kti h GLU 177 Cb -0.02 -0.07 -0.03 0.00 0.63 0.00 0.00 28.75 29.26 3kti h GLU 177 CO -0.07 0.21 0.24 0.93 -0.73 0.00 0.00 179.01 179.58 3kti h GLU 178 N 0.32 0.99 -0.56 1.92 5.08 -1.80 -0.73 114.58 119.80 3kti h GLU 178 Ca 0.14 -0.18 -0.07 0.00 -1.00 0.00 0.00 59.36 58.24 3kti h GLU 178 Cb 0.06 -0.16 -0.02 0.00 0.50 0.00 0.00 28.75 29.13 3kti h GLU 178 CO -0.10 0.83 0.06 0.00 -1.00 0.00 0.00 179.01 178.79 3kti h ALA 179 N 1.29 1.04 -0.21 3.43 0.00 -0.34 -1.14 119.26 123.33 3kti h ALA 179 Ca 0.22 -0.26 -0.04 0.00 0.00 0.00 0.00 54.91 54.83 3kti h ALA 179 Cb 0.23 -0.22 -0.01 0.00 0.00 0.00 0.00 17.79 17.79 3kti h ALA 179 CO -0.01 0.61 -0.02 1.25 0.00 0.00 0.00 179.25 181.08 3kti h LEU 180 N 0.87 0.37 -0.36 0.00 5.85 -0.52 0.27 115.31 121.78 3kti h LEU 180 Ca 0.17 -0.33 0.00 0.00 0.84 0.00 0.00 57.88 58.56 3kti h LEU 180 Cb 0.43 -0.10 0.00 0.00 0.37 0.00 0.00 40.66 41.36 3kti h LEU 180 CO 0.01 0.61 0.00 -0.62 -0.34 0.00 0.00 178.44 178.11 3kti n GLU 181 N -4.66 0.11 -0.00 1.25 1.02 -0.33 -2.04 120.64 115.99 3kti n GLU 181 Ca -0.04 0.33 -0.03 0.00 -0.02 0.00 0.00 57.16 57.40 3kti n GLU 181 Cb 0.25 -1.70 -0.11 0.00 -0.02 0.00 0.00 31.44 29.86 3kti n GLU 181 CO 0.00 0.00 0.00 0.98 1.18 0.00 0.00 177.13 179.29 3kti n TYR 182 N -1.90 0.79 0.00 -0.32 9.36 -0.45 -4.99 117.16 119.66 3kti n TYR 182 Ca 0.03 0.27 0.00 0.00 3.32 0.00 0.00 57.90 61.52 3kti n TYR 182 Cb 0.21 -1.06 0.00 0.00 -0.63 0.00 0.00 39.34 37.86 3kti n TYR 182 CO 0.00 0.00 0.00 0.41 0.22 0.00 0.00 176.86 177.49 3kti n GLY 183 N 1.47 1.16 0.07 2.98 0.00 -0.53 -4.74 105.19 105.60 3kti n GLY 183 Ca -0.14 0.00 -0.09 0.00 0.00 0.00 0.00 46.02 45.79 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 0.07 -9.15 0.99 3.38 -1.22 -3.35 115.31 106.02 3kti h LEU 184 Ca 0.00 -0.08 -0.46 0.00 0.09 0.00 0.00 57.88 57.42 3kti h LEU 184 Cb 0.00 -0.02 -0.14 0.00 0.09 0.00 0.00 40.66 40.59 3kti h LEU 184 CO 0.00 1.07 -0.56 0.27 0.09 0.00 0.00 178.44 179.31 3kti s ILE 185 N -2.67 0.56 -0.03 1.22 -4.36 -1.21 -4.01 121.20 110.69 3kti s ILE 185 Ca -0.01 -2.00 0.05 0.00 -0.26 0.00 0.00 60.65 58.43 3kti s ILE 185 Cb 0.09 -2.52 -0.07 0.00 1.25 0.00 0.00 42.46 41.21 3kti s ILE 185 CO 0.83 0.00 0.06 0.47 0.24 0.00 0.00 174.94 176.54 3kti n ASP 186 N -0.98 3.74 -3.69 4.36 8.00 0.34 -4.53 116.55 123.78 3kti n ASP 186 Ca -0.02 0.00 -0.15 0.00 0.71 0.00 0.00 54.79 55.34 3kti n ASP 186 Cb 0.65 0.89 -0.08 0.00 -0.02 0.00 0.00 41.12 42.56 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 -2.23 0.79 -0.18 -1.24 2.20 -0.78 -5.01 119.74 113.28 3kti s LYS 187 Ca -0.02 -0.09 -0.08 0.00 -0.36 0.00 0.00 55.97 55.42 3kti s LYS 187 Cb 0.02 0.36 -0.04 0.00 -1.51 0.00 0.00 37.83 36.66 3kti s LYS 187 CO 0.22 -0.23 0.07 0.42 -0.36 0.00 0.00 175.35 175.46 3kti s ILE 188 N -1.38 4.81 -0.68 5.43 1.01 -1.26 -2.14 121.20 126.99 3kti s ILE 188 Ca -0.12 -0.03 -0.26 0.00 0.00 0.00 0.00 60.65 60.24 3kti s ILE 188 Cb -0.03 -3.17 0.04 0.00 0.01 0.00 0.00 42.46 39.31 3kti s ILE 188 CO 0.05 0.46 1.15 -0.76 0.00 0.00 0.00 174.94 175.84 3kti s LEU 189 N 0.39 3.63 0.00 2.97 1.43 0.89 -4.92 118.68 123.06 3kti s LEU 189 Ca 0.03 -0.50 0.00 0.00 -1.03 0.00 0.00 54.13 52.63 3kti s LEU 189 Cb -0.12 -2.64 0.00 0.00 0.03 0.00 0.00 46.19 43.46 3kti s LEU 189 CO 0.00 -1.62 0.00 0.35 0.23 0.00 0.00 176.35 175.31 3kti n THR 190 N 6.28 0.00 0.00 5.49 -2.24 -1.26 -3.82 114.28 118.73 3kti n THR 190 Ca 0.02 0.00 0.00 0.00 -2.27 0.00 0.00 64.05 61.80 3kti n THR 190 Cb 0.48 -0.26 0.00 0.00 -2.10 0.00 0.00 70.33 68.45 3kti n THR 190 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50