#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1rni s SER 41 N 0.00 2.42 0.11 4.04 1.04 -1.26 -4.93 113.70 115.11 1rni s SER 41 Ca 0.00 0.35 0.09 0.00 0.48 0.00 0.00 55.95 56.87 1rni s SER 41 Cb 0.00 -0.44 -0.18 0.00 0.10 0.00 0.00 66.02 65.50 1rni s SER 41 CO 0.00 -3.17 1.19 -0.33 0.98 0.00 0.00 173.24 171.91 1rni h GLU 42 N -1.94 0.00 -0.53 4.02 5.08 -1.96 -3.00 114.58 116.25 1rni h GLU 42 Ca -0.44 0.00 0.02 0.00 -1.00 0.00 0.00 59.36 57.93 1rni h GLU 42 Cb 1.25 0.00 -0.03 0.00 0.50 0.00 0.00 28.75 30.47 1rni h GLU 42 CO 0.36 0.85 0.33 -0.09 -1.00 0.00 0.00 179.01 179.46 1rni h ARG 43 N 0.00 0.65 -0.11 2.33 2.43 -1.79 -0.97 114.38 116.92 1rni h ARG 43 Ca -0.06 -0.04 -0.23 0.00 -0.81 0.00 0.00 59.98 58.85 1rni h ARG 43 Cb 1.76 -0.15 0.01 0.00 -0.42 0.00 0.00 29.97 31.17 1rni h ARG 43 CO 0.11 0.43 -0.82 0.97 -1.51 0.00 0.00 179.97 179.15 1rni h ILE 44 N 0.67 1.30 -0.05 1.20 6.09 -1.88 -1.54 117.51 123.30 1rni h ILE 44 Ca 0.20 -2.06 0.03 0.00 -1.37 0.00 0.00 64.86 61.66 1rni h ILE 44 Cb -0.03 2.08 -0.03 0.00 0.47 0.00 0.00 36.82 39.31 1rni h ILE 44 CO -0.07 0.65 -0.11 -0.09 -3.07 0.00 0.00 178.15 175.45 1rni h ARG 45 N 0.46 -0.16 -0.35 2.19 9.65 -1.36 -0.22 114.38 124.60 1rni h ARG 45 Ca -0.06 0.01 -0.14 0.00 -1.10 0.00 0.00 59.98 58.69 1rni h ARG 45 Cb 1.45 0.04 -0.01 0.00 -1.39 0.00 0.00 29.97 30.06 1rni h ARG 45 CO 0.16 -0.11 -0.31 1.88 2.80 0.00 0.00 179.97 184.40 1rni h TYR 46 N -0.17 0.99 -0.54 2.20 0.99 -1.21 -1.14 116.97 118.09 1rni h TYR 46 Ca 0.06 -0.29 0.08 0.00 2.00 0.00 0.00 58.73 60.58 1rni h TYR 46 Cb 0.25 -0.21 -0.07 0.00 1.00 0.00 0.00 36.73 37.70 1rni h TYR 46 CO -0.20 1.07 0.18 0.00 -0.00 0.00 0.00 178.16 179.22 1rni h ALA 47 N 0.75 0.67 -0.25 3.88 0.00 -1.08 0.15 119.26 123.37 1rni h ALA 47 Ca 0.06 0.08 -0.04 0.00 0.00 0.00 0.00 54.91 55.01 1rni h ALA 47 Cb 0.89 0.06 -0.01 0.00 0.00 0.00 0.00 17.79 18.73 1rni h ALA 47 CO 0.08 -0.22 -0.02 0.87 0.00 0.00 0.00 179.25 179.96 1rni h LYS 48 N 0.36 0.38 -0.66 0.00 1.57 -0.85 -2.10 116.57 115.27 1rni h LYS 48 Ca 0.27 -0.07 -0.04 0.00 -1.87 0.00 0.00 60.65 58.94 1rni h LYS 48 Cb 0.32 -0.06 -0.03 0.00 0.08 0.00 0.00 32.23 32.54 1rni h LYS 48 CO -0.28 0.42 0.26 2.35 -0.57 0.00 0.00 179.45 181.63 1rni h TRP 49 N 0.37 1.00 -0.39 -1.35 7.01 0.53 0.45 115.95 123.58 1rni h TRP 49 Ca 0.08 -0.08 -0.09 0.00 2.11 0.00 0.00 58.89 60.91 1rni h TRP 49 Cb 0.27 -0.30 -0.01 0.00 -2.10 0.00 0.00 29.16 27.02 1rni h TRP 49 CO 0.01 0.79 -0.12 0.74 -2.79 0.00 0.00 178.44 177.06 1rni h PHE 50 N 0.93 0.87 -0.49 2.65 -1.00 -0.77 -1.44 116.94 117.70 1rni h PHE 50 Ca 0.22 -0.20 -0.06 0.00 2.81 0.00 0.00 57.97 60.74 1rni h PHE 50 Cb 0.21 -0.21 -0.02 0.00 3.61 0.00 0.00 35.95 39.54 1rni h PHE 50 CO 0.01 0.92 0.07 -0.07 -1.61 0.00 0.00 178.31 177.63 1rni h LEU 51 N 0.58 0.72 -1.40 1.54 3.38 -1.09 -0.87 115.31 118.16 1rni h LEU 51 Ca 0.10 -0.14 0.01 0.00 0.09 0.00 0.00 57.88 57.93 1rni h LEU 51 Cb 0.65 -0.19 -0.03 0.00 0.09 0.00 0.00 40.66 41.19 1rni h LEU 51 CO 0.04 0.74 0.41 -0.08 0.09 0.00 0.00 178.44 179.64 1rni h GLU 52 N 0.73 0.79 -0.52 1.13 4.81 0.33 -2.19 114.58 119.65 1rni h GLU 52 Ca 0.15 -0.05 0.00 0.00 -0.13 0.00 0.00 59.36 59.34 1rni h GLU 52 Cb 0.34 -0.18 0.00 0.00 0.63 0.00 0.00 28.75 29.54 1rni h GLU 52 CO 0.01 0.53 0.00 0.72 -0.73 0.00 0.00 179.01 179.53 1rni n HIS 53 N -4.45 0.76 -0.65 0.92 8.25 -0.58 -4.92 115.22 114.55 1rni n HIS 53 Ca 0.06 -0.33 0.00 0.00 -0.26 0.00 0.00 57.72 57.20 1rni n HIS 53 Cb 0.05 -0.09 0.00 0.00 1.12 0.00 0.00 29.99 31.07 1rni n HIS 53 CO 0.00 0.00 0.00 0.41 0.64 0.00 0.00 176.34 177.39 1rni n GLY 54 N 0.96 0.73 3.86 -1.41 0.00 -0.82 -5.06 105.19 103.45 1rni n GLY 54 Ca 0.15 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.83 1rni n GLY 54 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 1rni s PHE 55 N -2.48 3.52 0.16 1.61 0.40 -0.42 -5.00 117.98 115.77 1rni s PHE 55 Ca 0.00 0.97 -0.17 0.00 -0.60 0.00 0.00 56.93 57.13 1rni s PHE 55 Cb 0.00 -2.31 -0.07 0.00 0.51 0.00 0.00 43.02 41.14 1rni s PHE 55 CO 0.00 0.36 0.62 -0.80 0.70 0.00 0.00 175.22 176.09 1rni s ASN 56 N -2.01 6.94 0.18 1.36 0.01 -1.26 -3.91 114.94 116.25 1rni s ASN 56 Ca 0.42 1.23 0.07 0.00 -0.71 0.00 0.00 52.86 53.87 1rni s ASN 56 Cb -0.13 -2.35 -0.04 0.00 0.41 0.00 0.00 41.25 39.14 1rni s ASN 56 CO 0.20 0.10 -0.14 0.27 -1.51 0.00 0.00 177.10 176.02 1rni s ILE 57 N -1.44 1.58 -0.03 0.60 -4.36 -1.26 -4.21 121.20 112.07 1rni s ILE 57 Ca 0.38 -2.07 0.02 0.00 -0.26 0.00 0.00 60.65 58.72 1rni s ILE 57 Cb -0.16 -1.90 0.01 0.00 1.25 0.00 0.00 42.46 41.66 1rni s ILE 57 CO 0.20 -0.56 -0.06 -0.63 0.24 0.00 0.00 174.94 174.13 1rni s ILE 58 N -2.79 0.60 0.60 8.37 1.01 -0.09 -4.94 121.20 123.96 1rni s ILE 58 Ca 0.18 -0.21 -0.18 0.00 0.00 0.00 0.00 60.65 60.44 1rni s ILE 58 Cb -0.01 -0.57 -0.03 0.00 0.01 0.00 0.00 42.46 41.85 1rni s ILE 58 CO 0.05 0.22 1.17 -2.84 0.00 0.00 0.00 174.94 173.54 1rni s PRO 59 N 0.53 2.97 0.28 2.79 0.02 -1.26 0.48 135.00 140.82 1rni s PRO 59 Ca -0.07 1.70 -0.20 0.00 0.02 0.00 0.00 61.00 62.44 1rni s PRO 59 Cb -0.11 -1.94 0.04 0.00 0.02 0.00 0.00 34.50 32.50 1rni s PRO 59 CO 0.00 -1.17 0.79 0.42 -0.33 0.00 0.00 177.00 176.71 1rni s ILE 60 N -1.78 0.00 0.00 2.83 1.01 0.49 -2.13 121.20 121.62 1rni s ILE 60 Ca 0.74 -0.93 0.00 0.00 0.00 0.00 0.00 60.65 60.47 1rni s ILE 60 Cb -0.27 -2.24 0.00 0.00 0.01 0.00 0.00 42.46 39.96 1rni s ILE 60 CO 0.34 0.00 0.00 -0.67 0.00 0.00 0.00 174.94 174.61 1rni n ASP 61 N -0.71 0.00 0.00 3.58 -0.08 -1.25 -0.17 116.55 117.92 1rni n ASP 61 Ca -0.05 0.00 0.00 0.00 -1.51 0.00 0.00 54.79 53.23 1rni n ASP 61 Cb 0.59 0.00 0.00 0.00 2.34 0.00 0.00 41.12 44.05 1rni n ASP 61 CO 0.00 0.00 0.00 -2.65 0.12 0.00 0.00 177.20 174.67 1rni n PRO 62 N -2.00 0.00 -0.04 -0.67 -0.02 -1.26 -4.07 135.00 126.93 1rni n PRO 62 Ca 0.00 0.00 -0.13 0.00 -2.02 0.00 0.00 63.50 61.35 1rni n PRO 62 Cb 0.00 -0.23 -0.11 0.00 -0.02 0.00 0.00 33.50 33.13 1rni n PRO 62 CO 0.00 0.00 0.00 0.93 1.98 0.00 0.00 175.50 178.41 1rni h GLU 63 N 0.00 -0.01 0.20 -0.52 3.07 -1.98 -3.40 114.58 111.94 1rni h GLU 63 Ca 0.00 0.00 -0.33 0.00 -0.50 0.00 0.00 59.36 58.53 1rni h GLU 63 Cb 0.00 0.00 0.02 0.00 -0.84 0.00 0.00 28.75 27.93 1rni h GLU 63 CO 0.00 0.76 -1.60 0.66 -1.40 0.00 0.00 179.01 177.43 1rni h SER 64 N -0.80 0.67 -1.12 1.42 4.64 -2.00 -3.49 113.55 112.88 1rni h SER 64 Ca -0.00 -0.93 0.00 0.00 -0.47 0.00 0.00 61.79 60.39 1rni h SER 64 Cb 0.77 -0.22 0.00 0.00 -0.31 0.00 0.00 62.40 62.64 1rni h SER 64 CO 0.00 1.74 0.00 1.17 -0.87 0.00 0.00 176.83 178.87 1rni n LYS 65 N -3.69 0.00 -3.79 4.77 4.81 -1.26 -4.97 118.16 114.04 1rni n LYS 65 Ca -0.22 0.00 -0.10 0.00 -0.87 0.00 0.00 58.31 57.12 1rni n LYS 65 Cb 1.06 -2.26 -0.06 0.00 0.02 0.00 0.00 35.03 33.79 1rni n LYS 65 CO 0.00 0.00 0.00 0.15 1.17 0.00 0.00 177.40 178.72 1rni s LYS 66 N -4.29 1.05 0.69 1.64 1.02 -1.26 -4.73 119.74 113.85 1rni s LYS 66 Ca 0.00 -0.91 -0.17 0.00 0.02 0.00 0.00 55.97 54.91 1rni s LYS 66 Cb 0.00 0.41 -0.04 0.00 -0.52 0.00 0.00 37.83 37.68 1rni s LYS 66 CO 0.00 -0.39 0.58 -2.30 -0.92 0.00 0.00 175.35 172.32 1rni n PRO 67 N -0.18 0.38 -0.10 -1.68 -0.02 -1.26 -3.87 135.00 128.27 1rni n PRO 67 Ca -0.13 0.17 -0.13 0.00 -2.02 0.00 0.00 63.50 61.39 1rni n PRO 67 Cb 0.63 -1.86 -0.04 0.00 -0.02 0.00 0.00 33.50 32.21 1rni n PRO 67 CO 0.00 0.00 0.00 -0.39 1.98 0.00 0.00 175.50 177.09 1rni h VAL 68 N -0.23 1.30 -3.75 -1.45 -1.51 -1.79 -3.44 116.25 105.38 1rni h VAL 68 Ca -0.46 -1.34 -0.49 0.00 -1.23 0.00 0.00 66.70 63.18 1rni h VAL 68 Cb 1.36 1.53 -0.03 0.00 -2.13 0.00 0.00 31.29 32.02 1rni h VAL 68 CO 0.44 0.43 0.13 -0.76 -1.23 0.00 0.00 177.57 176.58 1rni s LEU 69 N -9.09 4.09 0.07 4.19 1.43 -1.26 -4.98 118.68 113.14 1rni s LEU 69 Ca -0.13 1.36 0.03 0.00 -1.03 0.00 0.00 54.13 54.37 1rni s LEU 69 Cb 0.08 -4.07 -0.24 0.00 0.03 0.00 0.00 46.19 42.00 1rni s LEU 69 CO 0.81 -0.19 1.10 0.50 0.23 0.00 0.00 176.35 178.80 1rni h LYS 70 N 2.39 0.10 -2.07 1.70 1.63 -2.01 -3.33 116.57 114.98 1rni h LYS 70 Ca -0.48 -0.18 -0.76 0.00 -0.85 0.00 0.00 60.65 58.38 1rni h LYS 70 Cb 1.18 0.07 -0.29 0.00 -0.60 0.00 0.00 32.23 32.59 1rni h LYS 70 CO 0.65 1.01 0.84 0.39 -3.45 0.00 0.00 179.45 178.89 1rni n GLU 71 N -3.37 3.84 0.10 1.90 -0.58 -1.26 -4.69 120.64 116.57 1rni n GLU 71 Ca -0.07 -4.09 -0.05 0.00 -0.42 0.00 0.00 57.16 52.53 1rni n GLU 71 Cb 0.99 -2.34 0.03 0.00 -0.57 0.00 0.00 31.44 29.55 1rni n GLU 71 CO 0.00 0.00 0.00 0.11 -0.48 0.00 0.00 177.13 176.76 1rni h TRP 72 N 3.42 0.10 -0.52 -0.32 5.08 -1.99 -3.27 115.95 118.45 1rni h TRP 72 Ca 0.52 -0.05 0.15 0.00 1.08 0.00 0.00 58.89 60.58 1rni h TRP 72 Cb 0.22 -0.01 -0.02 0.00 -3.00 0.00 0.00 29.16 26.35 1rni h TRP 72 CO 1.20 0.84 0.69 1.96 -1.28 0.00 0.00 178.44 181.85 1rni h GLN 73 N 0.04 0.00 0.00 0.12 7.50 -1.93 0.38 115.11 121.23 1rni h GLN 73 Ca -0.02 0.00 -0.02 0.00 0.50 0.00 0.00 58.65 59.11 1rni h GLN 73 Cb 1.41 0.00 -0.00 0.00 0.05 0.00 0.00 27.48 28.94 1rni h GLN 73 CO 0.11 0.00 -0.11 1.57 -1.50 0.00 0.00 178.83 178.90 1rni h LYS 74 N 0.00 0.00 0.00 1.46 2.10 -1.96 -2.83 116.57 115.34 1rni h LYS 74 Ca 0.25 0.00 0.00 0.00 -2.00 0.00 0.00 60.65 58.90 1rni h LYS 74 Cb 1.62 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 32.95 1rni h LYS 74 CO -0.00 0.11 0.00 0.66 -2.00 0.00 0.00 179.45 178.22 1rni n TYR 75 N -3.32 0.00 0.14 0.07 0.53 0.13 -0.99 117.16 113.72 1rni n TYR 75 Ca -0.00 0.00 0.11 0.00 -1.02 0.00 0.00 57.90 56.99 1rni n TYR 75 Cb 0.32 0.00 -0.01 0.00 -1.03 0.00 0.00 39.34 38.62 1rni n TYR 75 CO 0.00 0.00 0.00 0.43 -1.02 0.00 0.00 176.86 176.27 1rni n SER 76 N -0.78 0.73 -0.00 7.72 7.64 -1.07 -4.30 113.62 123.55 1rni n SER 76 Ca 0.10 0.25 0.03 0.00 1.01 0.00 0.00 58.87 60.26 1rni n SER 76 Cb 0.04 0.64 -0.05 0.00 -1.01 0.00 0.00 64.21 63.84 1rni n SER 76 CO 0.00 0.00 0.00 1.41 -3.01 0.00 0.00 175.04 173.44 1rni n HIS 77 N -2.56 0.00 -3.81 1.43 8.25 -0.16 -2.83 115.22 115.54 1rni n HIS 77 Ca -0.00 0.00 -0.10 0.00 -0.26 0.00 0.00 57.72 57.36 1rni n HIS 77 Cb 0.54 -0.08 -0.06 0.00 1.12 0.00 0.00 29.99 31.51 1rni n HIS 77 CO 0.00 0.00 0.00 -1.83 0.64 0.00 0.00 176.34 175.15 1rni s GLU 78 N -2.08 1.13 0.43 -0.41 -1.05 -0.48 -5.10 118.70 111.14 1rni s GLU 78 Ca -0.00 -0.95 -0.21 0.00 -0.15 0.00 0.00 54.97 53.65 1rni s GLU 78 Cb 0.05 0.42 -0.10 0.00 -0.44 0.00 0.00 34.13 34.06 1rni s GLU 78 CO 0.28 -0.43 0.98 -1.64 0.95 0.00 0.00 175.26 175.40 1rni s MET 79 N -3.89 4.14 0.38 -4.83 -1.94 -1.26 -4.38 119.30 107.53 1rni s MET 79 Ca 0.10 1.22 0.27 0.00 -1.71 0.00 0.00 55.69 55.57 1rni s MET 79 Cb 0.02 -2.22 0.95 0.00 2.01 0.00 0.00 34.83 35.58 1rni s MET 79 CO -0.06 -0.11 1.79 -1.00 -0.01 0.00 0.00 175.02 175.63 1rni h PRO 80 N 1.95 0.00 0.00 2.03 0.13 -1.97 -3.50 132.00 130.64 1rni h PRO 80 Ca -0.49 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.64 1rni h PRO 80 Cb 1.19 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.32 1rni h PRO 80 CO 0.61 0.00 0.00 -1.13 -0.23 0.00 0.00 178.00 177.25 1rni n SER 81 N -2.70 -1.03 -0.29 1.44 3.41 -1.26 -4.50 113.62 108.69 1rni n SER 81 Ca 0.03 0.00 0.03 0.00 -0.26 0.00 0.00 58.87 58.66 1rni n SER 81 Cb 0.35 0.64 0.10 0.00 -0.26 0.00 0.00 64.21 65.04 1rni n SER 81 CO 0.00 0.00 0.00 0.44 -0.16 0.00 0.00 175.04 175.32 1rni h ASP 82 N 0.00 -0.79 0.00 4.04 3.32 -1.99 0.56 116.42 121.55 1rni h ASP 82 Ca 0.00 0.25 0.00 0.00 0.02 0.00 0.00 57.03 57.30 1rni h ASP 82 Cb 0.00 0.52 0.00 0.00 0.22 0.00 0.00 39.33 40.07 1rni h ASP 82 CO 0.00 -0.28 0.00 -0.62 -1.72 0.00 0.00 179.24 176.62 1rni n GLU 83 N -5.54 0.58 0.00 3.56 1.02 -1.26 -1.82 120.64 117.18 1rni n GLU 83 Ca 0.12 0.00 0.00 0.00 -0.02 0.00 0.00 57.16 57.26 1rni n GLU 83 Cb 0.42 -1.23 0.00 0.00 -0.02 0.00 0.00 31.44 30.60 1rni n GLU 83 CO 0.00 0.00 0.00 0.39 1.18 0.00 0.00 177.13 178.70 1rni n GLU 84 N 0.56 0.00 0.03 3.49 1.02 0.06 -4.72 120.64 121.08 1rni n GLU 84 Ca 0.00 0.00 -0.12 0.00 -0.02 0.00 0.00 57.16 57.02 1rni n GLU 84 Cb 0.25 -0.39 -0.05 0.00 -0.02 0.00 0.00 31.44 31.23 1rni n GLU 84 CO 0.00 0.00 0.00 0.87 1.18 0.00 0.00 177.13 179.18 1rni h LYS 85 N 0.00 -0.44 -0.61 3.49 1.57 -0.42 0.17 116.57 120.33 1rni h LYS 85 Ca 0.00 0.03 -0.01 0.00 -1.87 0.00 0.00 60.65 58.80 1rni h LYS 85 Cb 0.00 0.10 -0.03 0.00 0.08 0.00 0.00 32.23 32.38 1rni h LYS 85 CO 0.00 -0.29 0.33 1.96 -0.57 0.00 0.00 179.45 180.87 1rni h GLN 86 N -0.45 0.85 -0.66 3.15 1.08 -1.77 -1.30 115.11 116.01 1rni h GLN 86 Ca 0.08 -0.09 -0.01 0.00 -1.45 0.00 0.00 58.65 57.18 1rni h GLN 86 Cb 0.57 -0.17 -0.03 0.00 -0.05 0.00 0.00 27.48 27.80 1rni h GLN 86 CO -0.32 0.63 0.38 -0.09 -0.95 0.00 0.00 178.83 178.48 1rni h ARG 87 N 0.86 0.90 -0.55 1.46 2.43 -1.52 -1.88 114.38 116.08 1rni h ARG 87 Ca 0.22 -0.09 0.00 0.00 -0.81 0.00 0.00 59.98 59.30 1rni h ARG 87 Cb 0.04 -0.18 -0.03 0.00 -0.42 0.00 0.00 29.97 29.38 1rni h ARG 87 CO -0.03 0.66 0.36 0.74 -1.51 0.00 0.00 179.97 180.19 1rni h PHE 88 N 0.89 0.71 -0.21 2.20 0.05 0.33 -2.54 116.94 118.37 1rni h PHE 88 Ca 0.23 0.01 -0.00 0.00 3.82 0.00 0.00 57.97 62.03 1rni h PHE 88 Cb 0.01 -0.24 -0.01 0.00 2.00 0.00 0.00 35.95 37.71 1rni h PHE 88 CO -0.01 0.46 0.13 -0.07 -0.18 0.00 0.00 178.31 178.64 1rni h LEU 89 N 0.75 0.26 -0.85 1.54 3.38 -0.86 -1.56 115.31 117.96 1rni h LEU 89 Ca 0.20 -0.05 0.11 0.00 0.09 0.00 0.00 57.88 58.23 1rni h LEU 89 Cb -0.06 -0.06 -0.08 0.00 0.09 0.00 0.00 40.66 40.54 1rni h LEU 89 CO -0.04 0.23 0.49 0.50 0.09 0.00 0.00 178.44 179.70 1rni h LYS 90 N 0.26 0.76 -0.81 1.13 3.64 -1.21 0.88 116.57 121.23 1rni h LYS 90 Ca 0.08 -0.05 -0.03 0.00 -1.27 0.00 0.00 60.65 59.38 1rni h LYS 90 Cb 0.02 -0.17 -0.04 0.00 -0.41 0.00 0.00 32.23 31.63 1rni h LYS 90 CO -0.01 0.50 0.39 0.52 -2.27 0.00 0.00 179.45 178.58 1rni h MET 91 N 0.78 1.16 -0.17 1.90 2.86 -1.02 -2.05 114.93 118.40 1rni h MET 91 Ca 0.42 -0.17 -0.13 0.00 -2.06 0.00 0.00 59.70 57.76 1rni h MET 91 Cb 0.44 -0.21 0.00 0.00 0.06 0.00 0.00 31.60 31.89 1rni h MET 91 CO -0.27 0.89 -0.42 0.82 1.06 0.00 0.00 176.91 178.99 1rni h ILE 92 N 1.14 1.34 0.00 -1.22 2.04 0.07 -1.74 117.51 119.15 1rni h ILE 92 Ca 0.28 -1.67 0.00 0.00 1.00 0.00 0.00 64.86 64.47 1rni h ILE 92 Cb 0.11 1.96 0.00 0.00 -0.74 0.00 0.00 36.82 38.15 1rni h ILE 92 CO -0.04 0.51 0.00 -0.62 0.00 0.00 0.00 178.15 178.01 1rni n GLU 93 N -4.25 0.14 -0.48 2.37 1.02 0.28 -2.32 120.64 117.39 1rni n GLU 93 Ca -0.06 0.57 0.07 0.00 -0.02 0.00 0.00 57.16 57.72 1rni n GLU 93 Cb 0.55 -1.89 0.26 0.00 -0.02 0.00 0.00 31.44 30.33 1rni n GLU 93 CO 0.00 0.00 0.00 0.39 1.18 0.00 0.00 177.13 178.70 1rni n GLU 94 N -2.18 2.83 0.00 3.49 1.02 -0.79 -4.95 120.64 120.06 1rni n GLU 94 Ca -0.00 -2.88 0.00 0.00 -0.02 0.00 0.00 57.16 54.26 1rni n GLU 94 Cb 0.08 -1.85 0.00 0.00 -0.02 0.00 0.00 31.44 29.65 1rni n GLU 94 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 1rni n GLY 95 N -0.57 0.99 3.75 0.62 0.00 -0.98 -5.03 105.19 103.96 1rni n GLY 95 Ca 0.23 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.85 1rni n GLY 95 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 1rni s TYR 96 N -2.00 3.80 1.06 1.61 2.02 -0.68 -4.83 117.35 118.34 1rni s TYR 96 Ca 0.00 1.60 -0.18 0.00 -0.37 0.00 0.00 57.07 58.12 1rni s TYR 96 Cb 0.00 -2.87 0.25 0.00 -0.40 0.00 0.00 41.96 38.94 1rni s TYR 96 CO 0.00 0.32 1.30 -0.80 -1.57 0.00 0.00 175.55 174.80 1rni s ASN 97 N -0.33 2.24 0.08 2.29 0.01 0.76 -4.38 114.94 115.61 1rni s ASN 97 Ca 0.40 0.23 -0.08 0.00 -0.71 0.00 0.00 52.86 52.70 1rni s ASN 97 Cb -0.22 -0.22 -0.00 0.00 0.41 0.00 0.00 41.25 41.22 1rni s ASN 97 CO 0.26 -3.27 0.18 -0.72 -1.51 0.00 0.00 177.10 172.03 1rni s TYR 98 N -3.73 0.15 0.17 2.20 -0.85 -1.26 -0.38 117.35 113.65 1rni s TYR 98 Ca 0.76 -0.55 0.05 0.00 -0.52 0.00 0.00 57.07 56.81 1rni s TYR 98 Cb -0.03 -0.07 -0.05 0.00 0.38 0.00 0.00 41.96 42.19 1rni s TYR 98 CO 0.54 -0.52 -0.09 0.00 -1.52 0.00 0.00 175.55 173.97 1rni s ALA 99 N -3.63 1.61 -0.23 9.51 0.00 0.18 -0.25 121.76 128.94 1rni s ALA 99 Ca 0.03 -1.57 0.01 0.00 0.00 0.00 0.00 51.96 50.43 1rni s ALA 99 Cb 0.04 0.11 0.04 0.00 0.00 0.00 0.00 23.12 23.31 1rni s ALA 99 CO -0.10 -0.10 -0.12 0.42 0.00 0.00 0.00 175.76 175.86 1rni s ILE 100 N -3.29 2.35 0.43 0.00 1.01 -0.19 -0.91 121.20 120.59 1rni s ILE 100 Ca 0.20 -1.25 -0.24 0.00 0.00 0.00 0.00 60.65 59.35 1rni s ILE 100 Cb 0.03 -2.21 -0.08 0.00 0.01 0.00 0.00 42.46 40.21 1rni s ILE 100 CO 0.03 0.21 1.19 -2.84 0.00 0.00 0.00 174.94 173.53 1rni s PRO 101 N 1.22 3.90 0.27 2.79 0.02 -1.26 -2.43 135.00 139.51 1rni s PRO 101 Ca -0.02 1.87 -0.03 0.00 0.02 0.00 0.00 61.00 62.83 1rni s PRO 101 Cb -0.17 -2.57 0.06 0.00 0.02 0.00 0.00 34.50 31.84 1rni s PRO 101 CO -0.07 -0.46 0.37 0.41 -0.33 0.00 0.00 177.00 176.92 1rni n GLY 102 N 0.57 -0.60 5.00 0.52 0.00 0.48 -4.48 105.19 106.69 1rni n GLY 102 Ca 0.06 -1.78 0.00 0.00 0.00 0.00 0.00 46.02 44.30 1rni n GLY 102 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1rni n GLY 103 N 2.46 1.35 3.63 -0.02 0.00 0.18 -4.08 105.19 108.72 1rni n GLY 103 Ca 0.05 -0.01 -0.48 0.00 0.00 0.00 0.00 46.02 45.59 1rni n GLY 103 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1rni n GLN 104 N 0.00 1.71 -1.55 1.61 10.64 -1.13 -1.32 117.38 127.34 1rni n GLN 104 Ca 0.00 0.61 -0.19 0.00 -1.83 0.00 0.00 57.00 55.60 1rni n GLN 104 Cb 0.00 -2.27 -0.08 0.00 -0.86 0.00 0.00 30.24 27.03 1rni n GLN 104 CO 0.00 0.00 0.00 1.63 -1.83 0.00 0.00 177.06 176.86 1rni n LYS 105 N 2.53 -1.41 -0.83 2.61 5.02 -1.26 -1.08 118.16 123.73 1rni n LYS 105 Ca 0.15 1.11 0.00 0.00 -2.02 0.00 0.00 58.31 57.55 1rni n LYS 105 Cb 0.27 -5.46 0.00 0.00 -0.02 0.00 0.00 35.03 29.82 1rni n LYS 105 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 1rni n GLY 106 N -0.35 0.54 3.73 0.72 0.00 -0.43 -4.68 105.19 104.72 1rni n GLY 106 Ca -0.19 -0.40 -0.41 0.00 0.00 0.00 0.00 46.02 45.02 1rni n GLY 106 CO 0.00 0.00 0.00 -2.27 0.00 0.00 0.00 173.32 171.05 1rni s LEU 107 N 0.00 4.46 0.01 0.99 2.96 -0.24 -1.16 118.68 125.70 1rni s LEU 107 Ca 0.00 2.02 0.00 0.00 -0.22 0.00 0.00 54.13 55.93 1rni s LEU 107 Cb 0.00 -3.60 -0.01 0.00 0.50 0.00 0.00 46.19 43.09 1rni s LEU 107 CO 0.00 -0.26 -0.02 0.68 -1.32 0.00 0.00 176.35 175.43 1rni s VAL 108 N 0.12 0.15 -0.15 1.68 -7.23 -0.75 0.50 120.40 114.72 1rni s VAL 108 Ca 0.51 -0.44 0.02 0.00 -1.81 0.00 0.00 61.98 60.26 1rni s VAL 108 Cb -0.28 -0.20 0.01 0.00 0.56 0.00 0.00 36.38 36.47 1rni s VAL 108 CO 0.33 -0.19 -0.20 -0.63 -0.31 0.00 0.00 175.10 174.10 1rni s ILE 109 N -0.64 1.95 -0.42 -0.62 1.09 -0.05 -2.41 121.20 120.10 1rni s ILE 109 Ca -0.06 -0.90 -0.23 0.00 -1.10 0.00 0.00 60.65 58.37 1rni s ILE 109 Cb -0.05 -1.75 0.02 0.00 -1.06 0.00 0.00 42.46 39.63 1rni s ILE 109 CO -0.00 0.53 0.76 -0.76 -0.10 0.00 0.00 174.94 175.36 1rni s LEU 110 N 1.03 4.24 -0.68 2.97 1.43 -0.49 -0.57 118.68 126.61 1rni s LEU 110 Ca -0.03 0.01 -0.14 0.00 -1.03 0.00 0.00 54.13 52.95 1rni s LEU 110 Cb -0.14 -2.94 0.17 0.00 0.03 0.00 0.00 46.19 43.30 1rni s LEU 110 CO -0.06 -0.83 0.62 -0.62 0.23 0.00 0.00 176.35 175.69 1rni s ASP 111 N 2.02 6.39 -0.06 2.29 2.15 0.57 -1.18 116.67 128.85 1rni s ASP 111 Ca 0.29 -2.29 -0.25 0.00 0.43 0.00 0.00 52.55 50.74 1rni s ASP 111 Cb -0.13 -2.18 -0.03 0.00 -0.30 0.00 0.00 42.92 40.28 1rni s ASP 111 CO 0.20 -0.69 0.76 -0.36 -0.17 0.00 0.00 175.17 174.91 1rni s PHE 112 N 0.81 3.58 0.33 -5.34 0.40 -0.23 -1.16 117.98 116.38 1rni s PHE 112 Ca 0.11 1.33 0.01 0.00 -0.60 0.00 0.00 56.93 57.78 1rni s PHE 112 Cb -0.20 -2.87 0.56 0.00 0.51 0.00 0.00 43.02 41.02 1rni s PHE 112 CO -0.03 0.05 1.99 1.49 0.70 0.00 0.00 175.22 179.42 1rni h GLU 113 N 6.80 0.94 -4.07 0.44 4.81 -1.62 -1.75 114.58 120.12 1rni h GLU 113 Ca -0.40 -0.06 -0.44 0.00 -0.13 0.00 0.00 59.36 58.33 1rni h GLU 113 Cb 1.20 -0.21 -0.35 0.00 0.63 0.00 0.00 28.75 30.02 1rni h GLU 113 CO 0.76 0.62 -0.78 0.45 -0.73 0.00 0.00 179.01 179.33 1rni s SER 114 N -6.36 1.25 0.27 1.04 0.15 -1.26 -3.21 113.70 105.58 1rni s SER 114 Ca -0.11 -0.16 0.10 0.00 0.70 0.00 0.00 55.95 56.48 1rni s SER 114 Cb 0.18 -0.53 0.36 0.00 -1.71 0.00 0.00 66.02 64.32 1rni s SER 114 CO 0.78 -0.06 1.62 0.50 1.20 0.00 0.00 173.24 177.27 1rni h LYS 115 N 7.38 0.03 -0.27 5.44 3.64 -1.57 -2.79 116.57 128.41 1rni h LYS 115 Ca -0.34 -0.02 -0.19 0.00 -1.27 0.00 0.00 60.65 58.84 1rni h LYS 115 Cb 1.15 0.00 0.00 0.00 -0.41 0.00 0.00 32.23 32.98 1rni h LYS 115 CO 0.44 0.62 -0.56 0.93 -2.27 0.00 0.00 179.45 178.62 1rni h GLU 116 N 0.02 0.84 -0.73 1.90 4.39 -1.95 -2.30 114.58 116.76 1rni h GLU 116 Ca -0.01 -0.54 -0.05 0.00 0.34 0.00 0.00 59.36 59.10 1rni h GLU 116 Cb 1.07 0.07 -0.03 0.00 -0.10 0.00 0.00 28.75 29.76 1rni h GLU 116 CO 0.08 1.17 0.25 -0.22 -1.16 0.00 0.00 179.01 179.13 1rni h LYS 117 N 0.64 1.12 -0.00 2.33 1.63 -1.94 -1.92 116.57 118.43 1rni h LYS 117 Ca 0.01 -0.23 -0.10 0.00 -0.85 0.00 0.00 60.65 59.48 1rni h LYS 117 Cb 1.16 -0.17 -0.01 0.00 -0.60 0.00 0.00 32.23 32.61 1rni h LYS 117 CO 0.12 0.94 -0.48 1.25 -3.45 0.00 0.00 179.45 177.83 1rni h LEU 118 N 1.07 0.01 -0.32 5.20 5.85 -1.47 0.37 115.31 126.01 1rni h LEU 118 Ca 0.24 -0.00 -0.04 0.00 0.84 0.00 0.00 57.88 58.91 1rni h LEU 118 Cb 0.27 -0.00 -0.01 0.00 0.37 0.00 0.00 40.66 41.29 1rni h LEU 118 CO -0.01 0.49 0.04 0.50 -0.34 0.00 0.00 178.44 179.12 1rni h LYS 119 N 0.01 0.54 -0.00 1.25 3.64 -0.84 -1.45 116.57 119.72 1rni h LYS 119 Ca -0.00 -0.15 -0.14 0.00 -1.27 0.00 0.00 60.65 59.09 1rni h LYS 119 Cb 0.86 -0.06 -0.02 0.00 -0.41 0.00 0.00 32.23 32.60 1rni h LYS 119 CO 0.06 0.64 -0.66 0.00 -2.27 0.00 0.00 179.45 177.22 1rni h ALA 120 N 0.88 0.91 0.06 5.00 0.00 -1.17 0.19 119.26 125.13 1rni h ALA 120 Ca 0.10 -0.60 -0.00 0.00 0.00 0.00 0.00 54.91 54.40 1rni h ALA 120 Cb 0.37 -0.11 0.00 0.00 0.00 0.00 0.00 17.79 18.05 1rni h ALA 120 CO 0.01 0.82 -0.03 2.35 0.00 0.00 0.00 179.25 182.40 1rni h TRP 121 N 0.00 -0.08 -0.05 0.00 2.91 -0.64 -3.36 115.95 114.74 1rni h TRP 121 Ca -0.01 -0.00 0.00 0.00 1.13 0.00 0.00 58.89 60.01 1rni h TRP 121 Cb 1.17 0.03 0.00 0.00 -0.51 0.00 0.00 29.16 29.85 1rni h TRP 121 CO 0.00 0.16 0.00 0.44 -1.03 0.00 0.00 178.44 178.01 1rni n ILE 122 N -5.02 0.45 -0.19 2.65 -5.35 -0.57 -4.30 119.36 107.03 1rni n ILE 122 Ca -0.08 -0.73 0.00 0.00 -0.27 0.00 0.00 62.75 61.68 1rni n ILE 122 Cb 0.15 0.81 -0.00 0.00 -1.74 0.00 0.00 39.64 38.87 1rni n ILE 122 CO 0.00 0.00 0.00 0.61 -1.76 0.00 0.00 176.55 175.40 1rni n GLY 123 N 0.02 -2.92 0.16 3.28 0.00 0.67 -4.14 105.19 102.27 1rni n GLY 123 Ca 0.03 -1.26 -0.05 0.00 0.00 0.00 0.00 46.02 44.73 1rni n GLY 123 CO 0.00 0.00 0.00 0.83 0.00 0.00 0.00 173.32 174.15 1rni h GLU 124 N 0.00 0.23 -0.48 1.61 5.08 -1.93 -2.33 114.58 116.76 1rni h GLU 124 Ca -0.00 -0.01 0.02 0.00 -1.00 0.00 0.00 59.36 58.36 1rni h GLU 124 Cb 0.12 -0.05 -0.03 0.00 0.50 0.00 0.00 28.75 29.29 1rni h GLU 124 CO 0.00 0.15 0.30 0.77 -1.00 0.00 0.00 179.01 179.23 1rni h SER 125 N 0.24 0.49 0.17 1.42 0.02 -1.95 0.31 113.55 114.24 1rni h SER 125 Ca 0.18 0.00 -0.00 0.00 -0.84 0.00 0.00 61.79 61.13 1rni h SER 125 Cb 0.19 -0.10 -0.00 0.00 0.14 0.00 0.00 62.40 62.63 1rni h SER 125 CO -0.22 0.35 -0.11 0.00 -1.14 0.00 0.00 176.83 175.71 1rni h ALA 126 N 1.21 -0.26 -0.09 3.77 0.00 -1.68 0.38 119.26 122.59 1rni h ALA 126 Ca 0.19 -0.05 0.03 0.00 0.00 0.00 0.00 54.91 55.08 1rni h ALA 126 Cb -0.00 0.13 -0.03 0.00 0.00 0.00 0.00 17.79 17.89 1rni h ALA 126 CO -0.08 -0.65 -0.09 1.25 0.00 0.00 0.00 179.25 179.68 1rni h LEU 127 N -0.27 -0.27 -2.22 0.00 5.85 -1.16 0.12 115.31 117.36 1rni h LEU 127 Ca -0.02 0.05 -0.01 0.00 0.84 0.00 0.00 57.88 58.75 1rni h LEU 127 Cb 0.23 0.13 -0.00 0.00 0.37 0.00 0.00 40.66 41.39 1rni h LEU 127 CO 0.01 -0.12 -0.05 -0.33 -0.34 0.00 0.00 178.44 177.61 1rni h GLU 128 N -0.11 0.00 -0.01 1.25 4.39 -0.20 0.55 114.58 120.45 1rni h GLU 128 Ca 0.06 0.00 -0.09 0.00 0.34 0.00 0.00 59.36 59.68 1rni h GLU 128 Cb 0.20 0.00 0.01 0.00 -0.10 0.00 0.00 28.75 28.86 1rni h GLU 128 CO -0.15 0.05 -0.34 1.49 -1.16 0.00 0.00 179.01 178.90 1rni h GLU 129 N 0.00 0.25 0.08 2.33 4.57 0.22 -2.62 114.58 119.42 1rni h GLU 129 Ca -0.00 -0.25 -0.00 0.00 -1.18 0.00 0.00 59.36 57.92 1rni h GLU 129 Cb 0.12 0.07 0.00 0.00 -0.16 0.00 0.00 28.75 28.78 1rni h GLU 129 CO 0.01 0.96 -0.04 1.25 -1.18 0.00 0.00 179.01 180.00 1rni h LEU 130 N -0.36 -0.09 -0.73 1.64 5.85 -0.33 -2.11 115.31 119.19 1rni h LEU 130 Ca -0.04 -0.03 0.00 0.00 0.84 0.00 0.00 57.88 58.65 1rni h LEU 130 Cb 1.07 0.02 0.00 0.00 0.37 0.00 0.00 40.66 42.12 1rni h LEU 130 CO 0.07 -0.03 0.00 0.00 -0.34 0.00 0.00 178.44 178.14 1rni n ARG 132 N -0.13 0.67 0.09 0.00 0.63 -0.82 -4.50 116.66 112.60 1rni n ARG 132 Ca 0.02 0.10 0.12 0.00 -0.92 0.00 0.00 57.85 57.18 1rni n ARG 132 Cb 0.19 -1.46 0.14 0.00 0.45 0.00 0.00 32.46 31.78 1rni n ARG 132 CO 0.00 0.00 0.00 1.57 -2.51 0.00 0.00 177.63 176.69 1rni h LYS 133 N 0.00 0.00 -4.02 -0.14 2.10 -1.29 -3.48 116.57 109.75 1rni h LYS 133 Ca -0.51 0.00 -0.11 0.00 -2.00 0.00 0.00 60.65 58.03 1rni h LYS 133 Cb 1.86 0.00 -0.14 0.00 -0.90 0.00 0.00 32.23 33.05 1rni h LYS 133 CO -0.06 0.00 -0.48 -0.08 -2.00 0.00 0.00 179.45 176.83 1rni s THR 134 N -3.22 0.14 0.09 0.07 -1.32 -1.08 -4.36 115.64 105.97 1rni s THR 134 Ca 0.05 -1.48 -0.31 0.00 -1.21 0.00 0.00 61.69 58.74 1rni s THR 134 Cb 0.12 -1.57 -0.09 0.00 -1.51 0.00 0.00 72.50 69.45 1rni s THR 134 CO 0.73 -0.65 1.62 -0.22 -2.21 0.00 0.00 174.62 173.88 1rni s LEU 135 N -2.92 4.37 0.06 9.08 2.96 -1.24 -4.54 118.68 126.44 1rni s LEU 135 Ca 0.10 2.51 0.05 0.00 -0.22 0.00 0.00 54.13 56.57 1rni s LEU 135 Cb 0.06 -3.57 -0.03 0.00 0.50 0.00 0.00 46.19 43.15 1rni s LEU 135 CO -0.07 -0.86 -0.14 0.00 -1.32 0.00 0.00 176.35 173.96 1rni s THR 137 N -1.15 0.31 0.05 0.00 -4.23 -0.47 -2.06 115.64 108.09 1rni s THR 137 Ca -0.01 -1.42 -0.21 0.00 -1.18 0.00 0.00 61.69 58.88 1rni s THR 137 Cb -0.09 -0.98 -0.06 0.00 1.34 0.00 0.00 72.50 72.70 1rni s THR 137 CO 0.02 -0.71 0.61 0.20 -0.54 0.00 0.00 174.62 174.19 1rni s ASN 138 N -2.24 7.07 0.62 3.99 0.01 0.16 -1.03 114.94 123.52 1rni s ASN 138 Ca -0.03 1.27 -0.01 0.00 -0.71 0.00 0.00 52.86 53.39 1rni s ASN 138 Cb -0.01 -2.38 0.06 0.00 0.41 0.00 0.00 41.25 39.33 1rni s ASN 138 CO -0.04 0.20 0.87 0.42 -1.51 0.00 0.00 177.10 177.04 1rni s THR 139 N -0.75 2.47 -1.98 1.60 -4.23 -0.82 -2.24 115.64 109.70 1rni s THR 139 Ca 0.31 -0.57 0.32 0.00 -1.18 0.00 0.00 61.69 60.56 1rni s THR 139 Cb -0.19 -2.90 0.84 0.00 1.34 0.00 0.00 72.50 71.59 1rni s THR 139 CO 0.19 0.00 2.17 1.33 -0.54 0.00 0.00 174.62 177.78 1rni n VAL 140 N -2.57 0.00 -1.51 2.29 0.24 -1.26 -3.50 118.33 112.01 1rni n VAL 140 Ca 0.10 -0.02 0.07 0.00 -2.04 0.00 0.00 64.34 62.45 1rni n VAL 140 Cb 0.60 -0.42 0.14 0.00 -1.47 0.00 0.00 33.84 32.69 1rni n VAL 140 CO 0.00 0.00 0.00 1.41 -2.14 0.00 0.00 176.83 176.10 1rni n HIS 141 N -0.94 0.00 -0.65 6.34 8.25 -1.26 -4.92 115.22 122.04 1rni n HIS 141 Ca 0.23 -1.06 0.00 0.00 -0.26 0.00 0.00 57.72 56.62 1rni n HIS 141 Cb 0.14 -0.18 0.00 0.00 1.12 0.00 0.00 29.99 31.07 1rni n HIS 141 CO 0.00 0.00 0.00 0.41 0.64 0.00 0.00 176.34 177.39 1rni n GLY 142 N -0.99 0.71 0.25 -1.41 0.00 -1.23 -4.84 105.19 97.68 1rni n GLY 142 Ca 0.15 0.00 -0.01 0.00 0.00 0.00 0.00 46.02 46.15 1rni n GLY 142 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1rni n GLY 143 N -2.51 1.21 3.16 -0.02 0.00 -1.20 -1.73 105.19 104.11 1rni n GLY 143 Ca 0.00 -2.03 -0.13 0.00 0.00 0.00 0.00 46.02 43.87 1rni n GLY 143 CO 0.00 0.00 0.00 -1.50 0.00 0.00 0.00 173.32 171.82 1rni s ILE 144 N 0.31 -0.01 -0.18 -0.61 2.07 -0.66 -1.94 121.20 120.18 1rni s ILE 144 Ca 0.04 0.03 -0.05 0.00 -1.41 0.00 0.00 60.65 59.27 1rni s ILE 144 Cb -0.00 -0.41 -0.03 0.00 0.13 0.00 0.00 42.46 42.15 1rni s ILE 144 CO 0.03 0.01 -0.01 -1.00 -1.91 0.00 0.00 174.94 172.06 1rni s HIS 145 N 0.43 3.05 -0.29 3.50 3.76 -0.19 -1.06 115.29 124.49 1rni s HIS 145 Ca -0.02 -0.35 -0.03 0.00 -0.15 0.00 0.00 55.06 54.52 1rni s HIS 145 Cb -0.04 -2.03 0.04 0.00 1.11 0.00 0.00 32.58 31.66 1rni s HIS 145 CO -0.02 -0.12 -0.00 0.42 -0.85 0.00 0.00 174.74 174.16 1rni s ILE 146 N 0.68 3.11 -0.01 0.60 1.01 -0.32 -1.37 121.20 124.90 1rni s ILE 146 Ca -0.01 -1.18 -0.18 0.00 0.00 0.00 0.00 60.65 59.29 1rni s ILE 146 Cb -0.14 -2.70 -0.06 0.00 0.01 0.00 0.00 42.46 39.57 1rni s ILE 146 CO 0.02 0.01 0.50 -0.31 0.00 0.00 0.00 174.94 175.15 1rni s TYR 147 N 1.31 3.69 0.13 3.97 1.51 -0.39 -1.39 117.35 126.18 1rni s TYR 147 Ca -0.02 1.07 -0.16 0.00 -1.01 0.00 0.00 57.07 56.95 1rni s TYR 147 Cb -0.18 -2.46 0.03 0.00 -0.11 0.00 0.00 41.96 39.24 1rni s TYR 147 CO -0.02 0.47 0.40 0.14 -1.11 0.00 0.00 175.55 175.43 1rni s VAL 148 N -0.54 0.07 0.11 0.71 -7.23 -1.01 -4.22 120.40 108.29 1rni s VAL 148 Ca 0.27 -0.64 0.08 0.00 -1.81 0.00 0.00 61.98 59.87 1rni s VAL 148 Cb -0.17 -1.23 -0.04 0.00 0.56 0.00 0.00 36.38 35.50 1rni s VAL 148 CO 0.15 -0.31 -0.13 -0.76 -0.31 0.00 0.00 175.10 173.74 1rni s LEU 149 N -2.82 2.91 -0.16 1.32 1.43 -0.46 -1.82 118.68 119.08 1rni s LEU 149 Ca 0.04 -0.46 -0.21 0.00 -1.03 0.00 0.00 54.13 52.47 1rni s LEU 149 Cb 0.02 -1.72 0.05 0.00 0.03 0.00 0.00 46.19 44.57 1rni s LEU 149 CO -0.11 0.17 0.55 -0.55 0.23 0.00 0.00 176.35 176.64 1rni s SER 150 N -2.24 -0.55 0.39 2.29 0.15 -0.31 -0.64 113.70 112.80 1rni s SER 150 Ca 0.20 0.94 0.20 0.00 0.70 0.00 0.00 55.95 58.00 1rni s SER 150 Cb -0.11 0.95 0.74 0.00 -1.71 0.00 0.00 66.02 65.90 1rni s SER 150 CO 0.13 -0.29 1.76 0.78 1.20 0.00 0.00 173.24 176.81 1rni h ASN 151 N 4.74 0.00 -3.59 5.45 2.35 -1.87 -3.39 115.58 119.27 1rni h ASN 151 Ca -0.28 0.00 -0.63 0.00 -0.55 0.00 0.00 56.30 54.84 1rni h ASN 151 Cb 1.17 0.00 -0.40 0.00 0.05 0.00 0.00 38.32 39.14 1rni h ASN 151 CO 0.22 0.33 -0.72 -0.62 -1.65 0.00 0.00 177.43 174.98 1rni s ASP 152 N -6.37 4.43 0.24 5.81 2.15 -1.26 -5.09 116.67 116.58 1rni s ASP 152 Ca 0.00 -2.12 0.10 0.00 0.43 0.00 0.00 52.55 50.95 1rni s ASP 152 Cb 0.11 -1.37 -0.05 0.00 -0.30 0.00 0.00 42.92 41.31 1rni s ASP 152 CO 0.67 -0.37 -0.17 0.27 -0.17 0.00 0.00 175.17 175.40 1rni s ILE 153 N 0.95 2.08 0.66 4.11 -4.36 -1.26 -4.71 121.20 118.67 1rni s ILE 153 Ca 0.12 -2.30 -0.17 0.00 -0.26 0.00 0.00 60.65 58.04 1rni s ILE 153 Cb -0.20 -2.16 0.00 0.00 1.25 0.00 0.00 42.46 41.36 1rni s ILE 153 CO -0.12 -0.50 1.21 -2.84 0.24 0.00 0.00 174.94 172.93 1rni s PRO 154 N -3.57 2.56 0.00 0.37 0.02 -1.26 -4.90 135.00 128.21 1rni s PRO 154 Ca 0.26 1.79 0.27 0.00 0.02 0.00 0.00 61.00 63.34 1rni s PRO 154 Cb -0.03 -1.88 1.17 0.00 0.02 0.00 0.00 34.50 33.78 1rni s PRO 154 CO 0.11 -1.52 1.87 -2.30 -0.33 0.00 0.00 177.00 174.83 1rni n PRO 155 N -2.17 0.01 -4.04 5.54 -0.02 -1.26 -4.47 135.00 128.59 1rni n PRO 155 Ca 0.13 0.03 -0.10 0.00 -2.02 0.00 0.00 63.50 61.55 1rni n PRO 155 Cb 0.50 -1.50 -0.07 0.00 -0.02 0.00 0.00 33.50 32.41 1rni n PRO 155 CO 0.00 0.00 0.00 -1.58 1.98 0.00 0.00 175.50 175.90 1rni s HIS 156 N -2.99 0.59 0.60 6.00 2.46 -1.26 -4.44 115.29 116.25 1rni s HIS 156 Ca 0.13 -0.91 -0.17 0.00 0.47 0.00 0.00 55.06 54.58 1rni s HIS 156 Cb 0.18 -0.08 -0.03 0.00 -0.13 0.00 0.00 32.58 32.52 1rni s HIS 156 CO 0.49 -0.83 1.12 -1.59 -2.47 0.00 0.00 174.74 171.46 1rni s LYS 157 N -4.04 3.07 -0.31 2.88 -2.85 -1.24 -4.56 119.74 112.69 1rni s LYS 157 Ca 0.25 1.48 0.03 0.00 -1.00 0.00 0.00 55.97 56.74 1rni s LYS 157 Cb 0.02 -1.98 0.09 0.00 -2.06 0.00 0.00 37.83 33.90 1rni s LYS 157 CO 0.07 -1.05 -0.00 0.42 0.10 0.00 0.00 175.35 174.89 1rni s ILE 158 N -2.09 2.10 -0.24 3.79 1.01 0.14 -4.95 121.20 120.96 1rni s ILE 158 Ca 0.69 -1.99 0.02 0.00 0.00 0.00 0.00 60.65 59.37 1rni s ILE 158 Cb -0.22 -2.44 0.06 0.00 0.01 0.00 0.00 42.46 39.88 1rni s ILE 158 CO 0.35 -0.40 -0.08 0.20 0.00 0.00 0.00 174.94 175.01 1rni s ASN 159 N 1.04 4.10 0.52 3.58 0.01 -1.26 -1.45 114.94 121.48 1rni s ASN 159 Ca 0.04 -1.27 -0.01 0.00 -0.71 0.00 0.00 52.86 50.91 1rni s ASN 159 Cb -0.19 -1.34 0.01 0.00 0.41 0.00 0.00 41.25 40.14 1rni s ASN 159 CO -0.08 -0.21 0.76 -2.16 -1.51 0.00 0.00 177.10 173.90 1rni s PRO 160 N 1.27 2.81 -0.19 -0.60 0.04 -1.26 -5.09 135.00 131.98 1rni s PRO 160 Ca -0.07 -0.50 -0.22 0.00 0.04 0.00 0.00 61.00 60.24 1rni s PRO 160 Cb -0.19 -2.47 -0.21 0.00 0.04 0.00 0.00 34.50 31.67 1rni s PRO 160 CO -0.06 -0.54 0.34 1.25 0.04 0.00 0.00 177.00 178.03 1rni h LEU 161 N 0.14 0.04 -8.85 -3.56 5.85 -0.63 -3.42 115.31 104.87 1rni h LEU 161 Ca -0.45 -0.63 -0.60 0.00 0.84 0.00 0.00 57.88 57.04 1rni h LEU 161 Cb 1.27 -0.01 -0.20 0.00 0.37 0.00 0.00 40.66 42.09 1rni h LEU 161 CO 0.56 1.42 -0.82 -0.36 -0.34 0.00 0.00 178.44 178.90 1rni s PHE 162 N -2.35 2.02 0.11 1.25 0.40 -1.24 -0.43 117.98 117.75 1rni s PHE 162 Ca -0.26 -0.41 0.06 0.00 -0.60 0.00 0.00 56.93 55.72 1rni s PHE 162 Cb 0.04 -1.05 -0.04 0.00 0.51 0.00 0.00 43.02 42.49 1rni s PHE 162 CO 0.63 0.34 -0.15 -1.21 0.70 0.00 0.00 175.22 175.52 1rni s GLU 163 N -2.38 1.01 -0.06 0.44 2.02 0.17 -2.61 118.70 117.29 1rni s GLU 163 Ca 0.14 -1.17 -0.02 0.00 0.02 0.00 0.00 54.97 53.94 1rni s GLU 163 Cb -0.08 -0.98 0.03 0.00 0.10 0.00 0.00 34.13 33.20 1rni s GLU 163 CO 0.07 0.20 0.05 -2.00 0.02 0.00 0.00 175.26 173.60 1rni s GLU 164 N -2.36 0.08 -1.36 1.61 2.12 0.14 -1.24 118.70 117.68 1rni s GLU 164 Ca 0.06 0.29 -0.00 0.00 0.36 0.00 0.00 54.97 55.68 1rni s GLU 164 Cb -0.07 -0.70 0.00 0.00 0.26 0.00 0.00 34.13 33.62 1rni s GLU 164 CO 0.03 -0.35 0.59 -1.71 -0.54 0.00 0.00 175.26 173.28 1rni n ASN 165 N 5.26 -0.89 0.00 -1.70 5.15 -1.26 -1.82 115.26 120.01 1rni n ASN 165 Ca -0.04 -0.90 0.00 0.00 -0.60 0.00 0.00 54.58 53.04 1rni n ASN 165 Cb 0.50 -3.63 0.00 0.00 -0.53 0.00 0.00 39.78 36.12 1rni n ASN 165 CO 0.00 0.00 0.00 0.61 1.40 0.00 0.00 177.26 179.27 1rni n GLY 166 N -1.74 0.51 3.15 8.20 0.00 -1.26 -5.02 105.19 109.03 1rni n GLY 166 Ca -0.30 0.00 -0.19 0.00 0.00 0.00 0.00 46.02 45.53 1rni n GLY 166 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1rni s LYS 167 N -0.40 0.90 0.20 1.61 1.02 -0.76 -5.12 119.74 117.19 1rni s LYS 167 Ca 0.00 -0.82 -0.30 0.00 0.02 0.00 0.00 55.97 54.87 1rni s LYS 167 Cb 0.00 -0.91 -0.08 0.00 -0.52 0.00 0.00 37.83 36.32 1rni s LYS 167 CO 0.00 0.22 1.06 0.20 -0.92 0.00 0.00 175.35 175.91 1rni s GLY 168 N -1.34 2.95 0.00 -3.33 0.00 -1.26 0.25 107.32 104.59 1rni s GLY 168 Ca 0.00 0.77 0.00 0.00 0.00 0.00 0.00 44.72 45.50 1rni s GLY 168 CO 0.02 1.53 0.63 0.29 0.00 0.00 0.00 173.10 175.57 1rni n ILE 169 N 2.06 0.30 -3.64 0.90 -5.35 -1.07 -4.91 119.36 107.65 1rni n ILE 169 Ca 0.01 -0.62 -0.04 0.00 -0.27 0.00 0.00 62.75 61.83 1rni n ILE 169 Cb 0.46 0.90 -0.07 0.00 -1.74 0.00 0.00 39.64 39.19 1rni n ILE 169 CO 0.00 0.00 0.00 -0.51 -1.76 0.00 0.00 176.55 174.28 1rni s ILE 170 N -0.30 0.00 -0.09 7.28 -1.16 -1.26 -1.66 121.20 124.01 1rni s ILE 170 Ca 0.00 0.00 -0.01 0.00 -0.51 0.00 0.00 60.65 60.13 1rni s ILE 170 Cb 0.00 -1.00 -0.03 0.00 0.61 0.00 0.00 42.46 42.04 1rni s ILE 170 CO 0.00 0.00 -0.04 -1.81 -2.81 0.00 0.00 174.94 170.28 1rni s ASP 171 N 1.16 4.86 -0.39 4.50 1.01 -0.31 -0.34 116.67 127.17 1rni s ASP 171 Ca -0.07 0.02 -0.15 0.00 0.71 0.00 0.00 52.55 53.06 1rni s ASP 171 Cb -0.04 -1.36 0.01 0.00 1.01 0.00 0.00 42.92 42.53 1rni s ASP 171 CO -0.14 0.34 0.32 -0.22 0.21 0.00 0.00 175.17 175.68 1rni s LEU 172 N -0.65 4.84 -0.22 1.23 2.96 -0.53 -0.32 118.68 126.00 1rni s LEU 172 Ca 0.10 -0.66 -0.17 0.00 -0.22 0.00 0.00 54.13 53.18 1rni s LEU 172 Cb -0.12 -2.22 -0.03 0.00 0.50 0.00 0.00 46.19 44.32 1rni s LEU 172 CO 0.02 -0.41 0.46 -1.10 -1.32 0.00 0.00 176.35 174.00 1rni s GLN 173 N 1.81 4.14 0.00 1.98 -1.52 0.27 -0.68 119.66 125.66 1rni s GLN 173 Ca 0.07 0.28 0.00 0.00 -1.95 0.00 0.00 55.36 53.77 1rni s GLN 173 Cb -0.18 -3.58 0.00 0.00 -0.22 0.00 0.00 33.01 29.03 1rni s GLN 173 CO 0.11 -0.16 0.00 0.45 -0.25 0.00 0.00 175.29 175.44 1rni n SER 174 N 4.87 0.00 -4.59 5.90 2.88 -1.26 -0.87 113.62 120.55 1rni n SER 174 Ca -0.06 0.00 -0.43 0.00 -1.33 0.00 0.00 58.87 57.05 1rni n SER 174 Cb 0.51 0.00 -0.00 0.00 -0.75 0.00 0.00 64.21 63.96 1rni n SER 174 CO 0.00 0.00 0.00 -1.22 -1.23 0.00 0.00 175.04 172.59 1rni n TYR 175 N 0.00 1.11 -2.44 0.66 4.02 -1.26 -2.30 117.16 116.95 1rni n TYR 175 Ca 0.00 0.63 -0.19 0.00 -0.01 0.00 0.00 57.90 58.33 1rni n TYR 175 Cb 0.00 -2.22 -0.00 0.00 -0.02 0.00 0.00 39.34 37.09 1rni n TYR 175 CO 0.00 0.00 0.00 0.09 -1.01 0.00 0.00 176.86 175.94 1rni n ASN 176 N 0.93 -5.43 -3.87 7.72 3.02 -1.26 -3.64 115.26 112.73 1rni n ASN 176 Ca 0.09 -0.05 -0.09 0.00 -0.03 0.00 0.00 54.58 54.50 1rni n ASN 176 Cb 0.36 -4.45 -0.06 0.00 -0.61 0.00 0.00 39.78 35.02 1rni n ASN 176 CO 0.00 0.00 0.00 -0.94 -2.62 0.00 0.00 177.26 173.70 1rni s SER 177 N -2.25 -0.08 0.31 6.41 1.04 -0.97 -4.88 113.70 113.27 1rni s SER 177 Ca 0.04 -0.71 -0.10 0.00 0.48 0.00 0.00 55.95 55.66 1rni s SER 177 Cb -0.02 0.50 0.01 0.00 0.10 0.00 0.00 66.02 66.61 1rni s SER 177 CO 0.05 -0.97 0.54 -0.72 0.98 0.00 0.00 173.24 173.13 1rni s TYR 178 N -3.93 0.58 0.02 5.02 -0.85 -1.26 -0.39 117.35 116.54 1rni s TYR 178 Ca 0.14 -0.95 0.01 0.00 -0.52 0.00 0.00 57.07 55.75 1rni s TYR 178 Cb 0.01 0.22 -0.02 0.00 0.38 0.00 0.00 41.96 42.56 1rni s TYR 178 CO -0.01 -1.17 -0.06 0.14 -1.52 0.00 0.00 175.55 172.94 1rni s VAL 179 N -3.31 0.39 0.59 -3.49 -7.23 -1.02 -4.96 120.40 101.36 1rni s VAL 179 Ca 0.24 -0.71 -0.19 0.00 -1.81 0.00 0.00 61.98 59.51 1rni s VAL 179 Cb -0.02 -0.43 -0.04 0.00 0.56 0.00 0.00 36.38 36.46 1rni s VAL 179 CO 0.14 -0.22 1.18 -0.76 -0.31 0.00 0.00 175.10 175.13 1rni s LEU 180 N -1.00 3.67 0.32 1.32 1.43 -1.26 -1.02 118.68 122.13 1rni s LEU 180 Ca -0.07 2.32 0.01 0.00 -1.03 0.00 0.00 54.13 55.36 1rni s LEU 180 Cb -0.07 -4.59 -0.03 0.00 0.03 0.00 0.00 46.19 41.53 1rni s LEU 180 CO -0.00 -1.51 0.52 -0.83 0.23 0.00 0.00 176.35 174.75 1rni s GLY 181 N -1.69 1.38 0.11 -3.19 0.00 0.65 -4.78 107.32 99.80 1rni s GLY 181 Ca 0.76 -0.92 -0.35 0.00 0.00 0.00 0.00 44.72 44.20 1rni s GLY 181 CO 0.32 -0.87 1.11 1.04 0.00 0.00 0.00 173.10 174.71 1rni n LEU 182 N -1.62 0.86 0.00 0.66 4.77 -1.26 -1.14 117.00 119.26 1rni n LEU 182 Ca -0.05 1.14 0.00 0.00 -0.03 0.00 0.00 56.01 57.07 1rni n LEU 182 Cb 0.56 -1.10 0.00 0.00 -2.33 0.00 0.00 43.42 40.55 1rni n LEU 182 CO 0.48 -1.58 0.00 0.61 -1.33 0.00 0.00 177.39 175.57 1rni n GLY 183 N 2.00 3.31 3.77 -0.72 0.00 -0.21 -4.51 105.19 108.83 1rni n GLY 183 Ca 0.17 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.79 1rni n GLY 183 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1rni s SER 184 N -0.71 6.58 0.15 1.61 0.01 -0.29 -4.27 113.70 116.78 1rni s SER 184 Ca 0.00 2.69 0.09 0.00 1.31 0.00 0.00 55.95 60.03 1rni s SER 184 Cb 0.00 -2.65 -0.04 0.00 0.21 0.00 0.00 66.02 63.54 1rni s SER 184 CO 0.00 -0.67 -0.19 0.00 0.41 0.00 0.00 173.24 172.79 1rni s VAL 186 N -1.87 1.04 -0.39 0.00 1.01 -0.29 -4.98 120.40 114.92 1rni s VAL 186 Ca 0.14 -0.49 -0.18 0.00 0.00 0.00 0.00 61.98 61.45 1rni s VAL 186 Cb -0.07 -0.91 0.01 0.00 0.00 0.00 0.00 36.38 35.41 1rni s VAL 186 CO 0.06 0.31 0.50 0.21 0.00 0.00 0.00 175.10 176.18 1rni s ASN 187 N 0.19 6.26 0.00 3.32 3.84 -1.26 -2.35 114.94 124.94 1rni s ASN 187 Ca -0.04 -0.32 0.14 0.00 0.21 0.00 0.00 52.86 52.85 1rni s ASN 187 Cb -0.10 -2.26 0.72 0.00 -0.55 0.00 0.00 41.25 39.06 1rni s ASN 187 CO 0.01 -0.56 1.39 1.41 -2.79 0.00 0.00 177.10 176.57 1rni n HIS 188 N 5.77 0.00 0.18 0.43 8.25 -0.22 -2.63 115.22 126.99 1rni n HIS 188 Ca -0.05 0.00 0.11 0.00 -0.26 0.00 0.00 57.72 57.52 1rni n HIS 188 Cb 0.48 -0.29 0.65 0.00 1.12 0.00 0.00 29.99 31.95 1rni n HIS 188 CO 0.00 0.00 0.00 1.25 0.64 0.00 0.00 176.34 178.23 1rni h LEU 189 N 0.00 0.02 -1.44 2.41 6.46 -1.39 0.08 115.31 121.44 1rni h LEU 189 Ca 0.00 -0.00 0.00 0.00 -0.12 0.00 0.00 57.88 57.76 1rni h LEU 189 Cb 0.14 -0.00 0.00 0.00 -0.73 0.00 0.00 40.66 40.07 1rni h LEU 189 CO 0.00 0.01 0.00 1.41 -0.62 0.00 0.00 178.44 179.24 1rni n HIS 190 N -4.49 0.08 -2.97 1.25 8.25 -1.08 -4.23 115.22 112.02 1rni n HIS 190 Ca 0.01 -0.04 -0.42 0.00 -0.26 0.00 0.00 57.72 57.01 1rni n HIS 190 Cb 0.24 0.00 -0.05 0.00 1.12 0.00 0.00 29.99 31.29 1rni n HIS 190 CO 0.00 0.00 0.00 0.00 0.64 0.00 0.00 176.34 176.98 1rni n THR 192 N 5.70 2.45 -4.60 0.00 -2.24 -1.26 -1.14 114.28 113.18 1rni n THR 192 Ca 0.03 -2.39 -0.27 0.00 -2.27 0.00 0.00 64.05 59.14 1rni n THR 192 Cb 0.48 -0.30 -0.10 0.00 -2.10 0.00 0.00 70.33 68.31 1rni n THR 192 CO 0.00 0.00 0.00 0.42 -0.57 0.00 0.00 175.07 174.92 1rni s THR 193 N -3.09 1.51 -2.13 4.28 -4.23 -1.26 -5.02 115.64 105.70 1rni s THR 193 Ca 0.44 -2.00 0.29 0.00 -1.18 0.00 0.00 61.69 59.24 1rni s THR 193 Cb 0.38 -2.72 0.62 0.00 1.34 0.00 0.00 72.50 72.12 1rni s THR 193 CO 0.03 0.00 1.90 0.47 -0.54 0.00 0.00 174.62 176.48 1rni n ASP 194 N -0.99 0.82 0.09 3.99 8.00 -1.26 -2.96 116.55 124.24 1rni n ASP 194 Ca -0.07 -1.13 0.11 0.00 0.71 0.00 0.00 54.79 54.41 1rni n ASP 194 Cb 0.67 -0.01 0.45 0.00 -0.02 0.00 0.00 41.12 42.21 1rni n ASP 194 CO 0.00 0.00 0.00 0.29 -0.39 0.00 0.00 177.20 177.10 1rni n LYS 195 N -0.45 0.15 -3.90 -1.24 5.02 -1.26 -4.48 118.16 112.00 1rni n LYS 195 Ca 0.19 0.33 -0.36 0.00 -2.02 0.00 0.00 58.31 56.46 1rni n LYS 195 Cb 0.27 -1.76 -0.13 0.00 -0.02 0.00 0.00 35.03 33.39 1rni n LYS 195 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 1rni h PRO 197 N 7.94 0.00 -0.52 0.00 0.11 -1.87 -2.82 132.00 134.84 1rni h PRO 197 Ca -0.38 0.00 -0.23 0.00 0.11 0.00 0.00 66.00 65.50 1rni h PRO 197 Cb 1.17 0.00 -0.14 0.00 0.11 0.00 0.00 31.00 32.15 1rni h PRO 197 CO 0.60 0.05 0.13 0.91 -0.21 0.00 0.00 178.00 179.48 1rni n TRP 198 N -3.18 1.66 -1.07 0.65 5.03 -1.26 -5.04 117.44 114.22 1rni n TRP 198 Ca -0.00 -1.50 -0.47 0.00 3.03 0.00 0.00 57.50 58.57 1rni n TRP 198 Cb 0.30 -0.59 -0.08 0.00 -1.03 0.00 0.00 31.31 29.91 1rni n TRP 198 CO 0.00 0.00 0.00 1.17 -0.03 0.00 0.00 177.69 178.83 1rni n LYS 199 N -0.92 0.00 -1.20 -0.99 4.81 -1.07 -0.88 118.16 117.91 1rni n LYS 199 Ca 0.38 0.00 -0.07 0.00 -0.87 0.00 0.00 58.31 57.75 1rni n LYS 199 Cb 1.20 -1.11 -0.03 0.00 0.02 0.00 0.00 35.03 35.11 1rni n LYS 199 CO 0.00 0.00 0.00 0.39 1.17 0.00 0.00 177.40 178.96 1rni n GLU 200 N 4.55 -1.53 -3.09 1.64 1.02 -0.29 -5.00 120.64 117.93 1rni n GLU 200 Ca 0.34 0.69 -0.32 0.00 -0.02 0.00 0.00 57.16 57.85 1rni n GLU 200 Cb -0.04 -4.97 -0.06 0.00 -0.02 0.00 0.00 31.44 26.36 1rni n GLU 200 CO 0.00 0.00 0.00 -0.65 1.18 0.00 0.00 177.13 177.66 1rni s GLN 201 N -2.39 4.00 -1.10 3.49 -0.21 -0.06 -4.68 119.66 118.70 1rni s GLN 201 Ca 0.00 0.69 -0.18 0.00 0.02 0.00 0.00 55.36 55.89 1rni s GLN 201 Cb 0.00 -2.40 0.11 0.00 1.00 0.00 0.00 33.01 31.72 1rni s GLN 201 CO 0.00 0.12 1.40 1.21 -2.12 0.00 0.00 175.29 175.90 1rni s ASN 202 N -2.34 6.77 -0.15 5.90 3.04 -1.26 -1.33 114.94 125.57 1rni s ASN 202 Ca 0.55 -2.28 -0.10 0.00 0.04 0.00 0.00 52.86 51.07 1rni s ASN 202 Cb -0.10 -2.47 0.05 0.00 -1.54 0.00 0.00 41.25 37.19 1rni s ASN 202 CO 0.18 -1.08 0.38 -0.47 -3.04 0.00 0.00 177.10 173.07 1rni s TYR 203 N 3.12 -0.51 -0.12 0.43 5.04 -1.26 -5.00 117.35 119.05 1rni s TYR 203 Ca 0.42 1.14 0.03 0.00 -2.44 0.00 0.00 57.07 56.22 1rni s TYR 203 Cb -0.02 0.20 0.00 0.00 0.35 0.00 0.00 41.96 42.49 1rni s TYR 203 CO -0.04 -0.28 -0.22 0.99 -1.34 0.00 0.00 175.55 174.66 1rni s THR 204 N 1.02 2.23 0.31 4.34 2.01 -1.26 -1.06 115.64 123.24 1rni s THR 204 Ca -0.07 -0.95 0.07 0.00 0.31 0.00 0.00 61.69 61.05 1rni s THR 204 Cb -0.07 -1.88 -0.06 0.00 0.01 0.00 0.00 72.50 70.50 1rni s THR 204 CO -0.08 0.55 -0.03 0.42 -0.69 0.00 0.00 174.62 174.78 1rni s THR 205 N 0.48 1.69 0.26 -0.82 -4.23 -0.99 -4.95 115.64 107.08 1rni s THR 205 Ca -0.14 -2.10 0.01 0.00 -1.18 0.00 0.00 61.69 58.28 1rni s THR 205 Cb -0.17 -2.60 -0.05 0.00 1.34 0.00 0.00 72.50 71.01 1rni s THR 205 CO 0.06 -0.20 0.09 0.00 -0.54 0.00 0.00 174.62 174.03 1rni s TYR 207 N -3.72 3.29 0.28 0.00 1.51 -0.17 -4.45 117.35 114.09 1rni s TYR 207 Ca 0.37 1.36 0.06 0.00 -1.01 0.00 0.00 57.07 57.86 1rni s TYR 207 Cb 0.08 -3.32 -0.06 0.00 -0.11 0.00 0.00 41.96 38.55 1rni s TYR 207 CO 0.13 -0.84 -0.04 0.95 -1.11 0.00 0.00 175.55 174.64 1rni s THR 208 N 2.46 1.57 0.31 -0.71 -4.23 -0.95 -1.04 115.64 113.05 1rni s THR 208 Ca 0.51 -2.11 -0.29 0.00 -1.18 0.00 0.00 61.69 58.62 1rni s THR 208 Cb -0.20 -2.48 -0.10 0.00 1.34 0.00 0.00 72.50 71.05 1rni s THR 208 CO 0.17 -0.27 1.41 -0.76 -0.54 0.00 0.00 174.62 174.63 1rni s LEU 209 N -3.44 4.38 0.04 4.79 1.43 -1.26 0.35 118.68 124.97 1rni s LEU 209 Ca 0.30 2.77 -0.20 0.00 -1.03 0.00 0.00 54.13 55.97 1rni s LEU 209 Cb 0.04 -3.64 -0.14 0.00 0.03 0.00 0.00 46.19 42.48 1rni s LEU 209 CO 0.12 -0.69 1.34 0.22 0.23 0.00 0.00 176.35 177.58 1rni h TYR 210 N 4.03 0.42 0.00 0.29 3.20 -1.71 -3.41 116.97 119.79 1rni h TYR 210 Ca -0.48 -0.13 0.00 0.00 3.14 0.00 0.00 58.73 61.26 1rni h TYR 210 Cb 1.22 -0.09 0.00 0.00 1.54 0.00 0.00 36.73 39.41 1rni h TYR 210 CO 0.57 0.74 0.00 0.27 -1.64 0.00 0.00 178.16 178.10 1rni n ASN 211 N -4.56 0.00 -4.34 -2.11 0.23 -1.26 -4.99 115.26 98.22 1rni n ASN 211 Ca -0.06 0.00 -0.18 0.00 -0.53 0.00 0.00 54.58 53.81 1rni n ASN 211 Cb 0.36 0.00 -0.10 0.00 -2.08 0.00 0.00 39.78 37.96 1rni n ASN 211 CO 0.00 0.00 0.00 -1.61 -0.93 0.00 0.00 177.26 174.72 1rni s GLU 212 N 0.00 1.32 0.11 -3.83 8.01 -1.26 -5.12 118.70 117.93 1rni s GLU 212 Ca 0.00 -1.60 -0.30 0.00 0.01 0.00 0.00 54.97 53.08 1rni s GLU 212 Cb 0.00 -1.05 -0.06 0.00 -4.31 0.00 0.00 34.13 28.70 1rni s GLU 212 CO 0.00 0.15 1.15 -1.17 0.01 0.00 0.00 175.26 175.40 1rni s LEU 213 N -3.31 4.42 0.16 1.80 2.96 -1.26 -4.81 118.68 118.64 1rni s LEU 213 Ca 0.23 2.03 -0.13 0.00 -0.22 0.00 0.00 54.13 56.03 1rni s LEU 213 Cb 0.00 -3.59 0.01 0.00 0.50 0.00 0.00 46.19 43.12 1rni s LEU 213 CO 0.07 -0.36 0.38 -0.54 -1.32 0.00 0.00 176.35 174.58 1rni s LYS 214 N 0.46 1.18 0.54 1.98 1.02 -1.26 -5.10 119.74 118.56 1rni s LYS 214 Ca 0.54 -0.95 -0.18 0.00 0.02 0.00 0.00 55.97 55.41 1rni s LYS 214 Cb -0.29 0.44 -0.06 0.00 -0.52 0.00 0.00 37.83 37.40 1rni s LYS 214 CO 0.32 -0.46 1.04 -1.21 -0.92 0.00 0.00 175.35 174.12 1rni s GLU 215 N -3.89 3.58 -0.22 1.68 2.02 -1.26 -4.40 118.70 116.22 1rni s GLU 215 Ca 0.10 1.24 -0.29 0.00 0.02 0.00 0.00 54.97 56.04 1rni s GLU 215 Cb 0.02 -2.07 -0.01 0.00 0.10 0.00 0.00 34.13 32.17 1rni s GLU 215 CO -0.05 -0.60 1.26 0.42 0.02 0.00 0.00 175.26 176.31 1rni s ILE 216 N -2.29 4.26 0.31 -1.63 1.01 -1.26 -3.69 121.20 117.92 1rni s ILE 216 Ca 0.64 1.49 0.06 0.00 0.00 0.00 0.00 60.65 62.85 1rni s ILE 216 Cb -0.15 -4.07 -0.02 0.00 0.01 0.00 0.00 42.46 38.22 1rni s ILE 216 CO 0.30 -0.26 0.41 -0.94 0.00 0.00 0.00 174.94 174.44 1rni s SER 217 N 2.20 5.91 0.34 3.58 1.04 -1.26 -4.76 113.70 120.75 1rni s SER 217 Ca 0.54 -0.19 -0.22 0.00 0.48 0.00 0.00 55.95 56.57 1rni s SER 217 Cb -0.19 -1.33 -0.10 0.00 0.10 0.00 0.00 66.02 64.50 1rni s SER 217 CO 0.17 -0.33 0.88 -0.54 0.98 0.00 0.00 173.24 174.40 1rni s LYS 218 N -4.09 4.33 0.24 4.02 1.02 -1.26 -1.36 119.74 122.64 1rni s LYS 218 Ca 0.42 1.09 -0.06 0.00 0.02 0.00 0.00 55.97 57.43 1rni s LYS 218 Cb -0.09 -2.57 -0.02 0.00 -0.52 0.00 0.00 37.83 34.64 1rni s LYS 218 CO 0.30 0.18 0.32 0.14 -0.92 0.00 0.00 175.35 175.37 1rni s VAL 219 N -1.83 0.00 -0.74 3.17 -7.23 0.19 -4.85 120.40 109.11 1rni s VAL 219 Ca 0.53 -1.71 -0.16 0.00 -1.81 0.00 0.00 61.98 58.83 1rni s VAL 219 Cb -0.14 -2.38 0.16 0.00 0.56 0.00 0.00 36.38 34.58 1rni s VAL 219 CO 0.19 0.00 0.76 -0.62 -0.31 0.00 0.00 175.10 175.12 1rni s ASP 220 N -3.11 6.50 0.25 4.85 -1.08 -1.26 -4.43 116.67 118.40 1rni s ASP 220 Ca 0.31 -2.12 -0.05 0.00 -0.52 0.00 0.00 52.55 50.17 1rni s ASP 220 Cb 0.03 -2.26 0.50 0.00 -1.46 0.00 0.00 42.92 39.73 1rni s ASP 220 CO 0.12 -0.84 1.65 0.25 0.52 0.00 0.00 175.17 176.87 1rni h LEU 221 N 8.94 -0.18 -0.90 -1.34 5.85 -1.88 0.15 115.31 125.94 1rni h LEU 221 Ca -0.05 0.18 -0.04 0.00 0.84 0.00 0.00 57.88 58.81 1rni h LEU 221 Cb 1.06 0.29 -0.03 0.00 0.37 0.00 0.00 40.66 42.35 1rni h LEU 221 CO 0.95 -0.14 0.30 0.11 -0.34 0.00 0.00 178.44 179.32 1rni h LYS 222 N 0.17 1.10 -0.58 1.25 1.57 -1.91 0.19 116.57 118.36 1rni h LYS 222 Ca 0.44 -0.19 -0.03 0.00 -1.87 0.00 0.00 60.65 59.01 1rni h LYS 222 Cb 0.80 -0.18 -0.03 0.00 0.08 0.00 0.00 32.23 32.90 1rni h LYS 222 CO -0.62 0.89 0.26 0.77 -0.57 0.00 0.00 179.45 180.17 1rni h SER 223 N 1.08 0.78 -0.26 0.86 0.02 -1.21 -1.41 113.55 113.41 1rni h SER 223 Ca 0.25 -0.15 -0.02 0.00 -0.84 0.00 0.00 61.79 61.03 1rni h SER 223 Cb 0.19 -0.20 -0.01 0.00 0.14 0.00 0.00 62.40 62.52 1rni h SER 223 CO -0.02 0.71 0.09 0.25 -1.14 0.00 0.00 176.83 176.72 1rni h LEU 224 N 0.79 0.36 -1.93 5.07 5.85 -0.38 0.70 115.31 125.77 1rni h LEU 224 Ca 0.20 -0.18 -0.02 0.00 0.84 0.00 0.00 57.88 58.72 1rni h LEU 224 Cb 0.16 -0.09 -0.00 0.00 0.37 0.00 0.00 40.66 41.09 1rni h LEU 224 CO -0.02 0.44 -0.09 -0.07 -0.34 0.00 0.00 178.44 178.36 1rni h LEU 225 N 0.26 0.00 0.07 2.25 3.38 -0.44 0.12 115.31 120.95 1rni h LEU 225 Ca 0.08 0.00 -0.27 0.00 0.09 0.00 0.00 57.88 57.78 1rni h LEU 225 Cb 0.20 0.00 0.03 0.00 0.09 0.00 0.00 40.66 40.98 1rni h LEU 225 CO -0.01 0.09 -1.11 0.03 0.09 0.00 0.00 178.44 177.53 1rni h ARG 226 N 0.00 0.63 -0.86 1.13 3.08 -0.75 -0.92 114.38 116.69 1rni h ARG 226 Ca -0.00 -0.77 -0.01 0.00 0.07 0.00 0.00 59.98 59.27 1rni h ARG 226 Cb 0.17 0.24 -0.04 0.00 0.08 0.00 0.00 29.97 30.42 1rni h ARG 226 CO 0.01 1.34 0.51 0.35 -1.07 0.00 0.00 179.97 181.11 1rni h PHE 227 N 0.26 1.15 -0.48 3.04 3.57 0.03 -1.54 116.94 122.97 1rni h PHE 227 Ca -0.16 -0.01 -0.11 0.00 3.53 0.00 0.00 57.97 61.23 1rni h PHE 227 Cb 1.78 -0.37 -0.01 0.00 2.79 0.00 0.00 35.95 40.13 1rni h PHE 227 CO 0.12 0.77 -0.12 -0.07 -2.23 0.00 0.00 178.31 176.77 1rni h LEU 228 N 1.19 0.94 0.29 0.59 3.38 -0.77 -2.21 115.31 118.72 1rni h LEU 228 Ca 0.31 -0.36 -0.01 0.00 0.09 0.00 0.00 57.88 57.91 1rni h LEU 228 Cb -0.03 -0.26 -0.02 0.00 0.09 0.00 0.00 40.66 40.45 1rni h LEU 228 CO -0.06 1.08 -0.34 0.00 0.09 0.00 0.00 178.44 179.22 1rni h ALA 229 N 0.88 -0.99 0.40 1.53 0.00 -0.22 -0.59 119.26 120.27 1rni h ALA 229 Ca 0.12 -0.12 -0.01 0.00 0.00 0.00 0.00 54.91 54.91 1rni h ALA 229 Cb 0.68 0.61 -0.03 0.00 0.00 0.00 0.00 17.79 19.04 1rni h ALA 229 CO 0.05 -1.02 -0.51 0.93 0.00 0.00 0.00 179.25 178.69 1rni h GLU 230 N -0.64 -0.90 -1.24 0.00 5.08 -1.40 0.11 114.58 115.58 1rni h GLU 230 Ca -0.04 0.06 0.36 0.00 -1.00 0.00 0.00 59.36 58.74 1rni h GLU 230 Cb 0.57 0.21 -0.08 0.00 0.50 0.00 0.00 28.75 29.95 1rni h GLU 230 CO -0.07 -0.60 0.85 0.87 -1.00 0.00 0.00 179.01 179.06 1rni h LYS 231 N -0.94 0.13 0.00 2.33 1.79 -1.39 -1.04 116.57 117.45 1rni h LYS 231 Ca -0.05 -0.01 0.00 0.00 -2.18 0.00 0.00 60.65 58.42 1rni h LYS 231 Cb 0.84 -0.03 0.00 0.00 -1.58 0.00 0.00 32.23 31.46 1rni h LYS 231 CO -0.13 0.09 -1.08 0.41 -1.08 0.00 0.00 179.45 177.66 1rni n GLY 232 N -1.65 -1.05 0.35 3.86 0.00 -0.23 -4.41 105.19 102.07 1rni n GLY 232 Ca 0.29 -0.54 0.10 0.00 0.00 0.00 0.00 46.02 45.87 1rni n GLY 232 CO 0.00 0.00 0.00 1.70 0.00 0.00 0.00 173.32 175.02 1rni h LYS 233 N 0.00 0.55 -0.03 1.61 1.63 0.57 -0.94 116.57 119.95 1rni h LYS 233 Ca 0.00 -0.03 -0.08 0.00 -0.85 0.00 0.00 60.65 59.69 1rni h LYS 233 Cb 0.59 -0.12 -0.01 0.00 -0.60 0.00 0.00 32.23 32.08 1rni h LYS 233 CO 0.00 0.36 -0.35 0.07 -3.45 0.00 0.00 179.45 176.08 1rni h ARG 234 N 0.56 0.06 -0.01 1.90 0.11 -1.77 -2.70 114.38 112.53 1rni h ARG 234 Ca 0.31 -0.02 0.00 0.00 0.10 0.00 0.00 59.98 60.36 1rni h ARG 234 Cb 0.46 -0.00 0.00 0.00 1.11 0.00 0.00 29.97 31.54 1rni h ARG 234 CO -0.10 0.41 -0.12 1.28 0.10 0.00 0.00 179.97 181.54 1rni n LEU 235 N -4.10 1.19 0.00 0.08 4.77 -0.44 -4.92 117.00 113.58 1rni n LEU 235 Ca -0.02 -0.35 0.00 0.00 -0.03 0.00 0.00 56.01 55.61 1rni n LEU 235 Cb 0.40 -0.07 0.00 0.00 -2.33 0.00 0.00 43.42 41.43 1rni n LEU 235 CO 0.39 0.21 0.00 0.61 -1.33 0.00 0.00 177.39 177.27 1rni n GLY 236 N 1.25 0.54 3.48 -0.72 0.00 -0.97 -5.00 105.19 103.78 1rni n GLY 236 Ca 0.16 -0.85 -0.40 0.00 0.00 0.00 0.00 46.02 44.93 1rni n GLY 236 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1rni s ILE 237 N -2.00 4.97 0.18 -0.61 1.01 -0.70 -4.26 121.20 119.80 1rni s ILE 237 Ca 0.00 -0.36 0.09 0.00 0.00 0.00 0.00 60.65 60.39 1rni s ILE 237 Cb 0.00 -3.57 -0.04 0.00 0.01 0.00 0.00 42.46 38.86 1rni s ILE 237 CO 0.00 -0.01 -0.19 0.42 0.00 0.00 0.00 174.94 175.16 1rni s THR 238 N 1.67 1.95 0.47 2.92 -4.23 -0.37 -3.81 115.64 114.24 1rni s THR 238 Ca 0.05 -2.01 -0.25 0.00 -1.18 0.00 0.00 61.69 58.30 1rni s THR 238 Cb -0.17 -1.95 -0.08 0.00 1.34 0.00 0.00 72.50 71.64 1rni s THR 238 CO 0.09 -0.32 1.43 0.18 -0.54 0.00 0.00 174.62 175.45 1rni n LEU 239 N 0.13 5.24 -4.81 4.79 4.77 -1.26 0.44 117.00 126.29 1rni n LEU 239 Ca -0.12 1.09 -0.30 0.00 -0.03 0.00 0.00 56.01 56.65 1rni n LEU 239 Cb 0.57 -1.60 0.08 0.00 -2.33 0.00 0.00 43.42 40.14 1rni n LEU 239 CO 0.31 -0.22 0.71 -0.94 -1.33 0.00 0.00 177.39 175.92 1rni s SER 240 N -0.55 4.82 0.25 -1.43 1.04 0.43 -4.70 113.70 113.56 1rni s SER 240 Ca 0.63 1.40 -0.06 0.00 0.48 0.00 0.00 55.95 58.40 1rni s SER 240 Cb -0.44 -2.18 0.27 0.00 0.10 0.00 0.00 66.02 63.77 1rni s SER 240 CO 0.56 -1.77 1.92 0.11 0.98 0.00 0.00 173.24 175.04 1rni h LYS 241 N -0.95 1.31 -0.17 4.02 1.57 -1.90 0.12 116.57 120.56 1rni h LYS 241 Ca -0.46 -0.08 -0.07 0.00 -1.87 0.00 0.00 60.65 58.17 1rni h LYS 241 Cb 1.25 -0.29 -0.01 0.00 0.08 0.00 0.00 32.23 33.25 1rni h LYS 241 CO 0.59 0.86 -0.23 1.15 -0.57 0.00 0.00 179.45 181.25 1rni h THR 242 N 1.34 1.24 -0.00 -0.16 2.02 -1.92 -1.21 112.91 114.22 1rni h THR 242 Ca 0.38 -1.10 -0.23 0.00 0.77 0.00 0.00 66.41 66.23 1rni h THR 242 Cb -0.12 1.36 0.02 0.00 -1.74 0.00 0.00 68.15 67.66 1rni h THR 242 CO -0.09 0.34 -0.88 0.00 0.37 0.00 0.00 175.52 175.26 1rni h ALA 243 N 1.49 0.11 -0.27 6.16 0.00 -1.57 -2.81 119.26 122.37 1rni h ALA 243 Ca 0.05 -0.65 -0.10 0.00 0.00 0.00 0.00 54.91 54.21 1rni h ALA 243 Cb 0.56 0.05 -0.01 0.00 0.00 0.00 0.00 17.79 18.38 1rni h ALA 243 CO 0.04 0.56 -0.24 -0.22 0.00 0.00 0.00 179.25 179.39 1rni h LYS 244 N 0.21 0.52 -0.05 0.00 3.64 -0.64 -0.45 116.57 119.80 1rni h LYS 244 Ca -0.11 -0.20 -0.13 0.00 -1.27 0.00 0.00 60.65 58.94 1rni h LYS 244 Cb 1.56 -0.03 -0.01 0.00 -0.41 0.00 0.00 32.23 33.33 1rni h LYS 244 CO 0.17 0.72 -0.56 1.05 -2.27 0.00 0.00 179.45 178.56 1rni h GLU 245 N 0.46 0.16 0.06 1.90 4.11 -1.27 0.28 114.58 120.27 1rni h GLU 245 Ca 0.07 -0.10 -0.25 0.00 0.07 0.00 0.00 59.36 59.15 1rni h GLU 245 Cb 0.67 0.01 0.01 0.00 0.50 0.00 0.00 28.75 29.94 1rni h GLU 245 CO 0.05 0.68 -1.07 2.35 0.07 0.00 0.00 179.01 181.09 1rni h TRP 246 N 0.12 0.61 0.12 2.06 7.01 -1.22 -1.80 115.95 122.86 1rni h TRP 246 Ca -0.00 -0.38 -0.01 0.00 2.11 0.00 0.00 58.89 60.62 1rni h TRP 246 Cb 1.03 -0.05 0.00 0.00 -2.10 0.00 0.00 29.16 28.04 1rni h TRP 246 CO 0.01 1.23 -0.06 1.25 -2.79 0.00 0.00 178.44 178.08 1rni h LEU 247 N 0.18 -0.14 -2.10 0.65 5.85 -0.93 -3.25 115.31 115.58 1rni h LEU 247 Ca -0.11 0.00 0.08 0.00 0.84 0.00 0.00 57.88 58.69 1rni h LEU 247 Cb 1.74 0.04 -0.01 0.00 0.37 0.00 0.00 40.66 42.80 1rni h LEU 247 CO 0.18 -0.01 0.33 -0.33 -0.34 0.00 0.00 178.44 178.28 1rni h GLU 248 N -0.35 0.00 0.00 1.25 4.39 -0.61 -3.51 114.58 115.75 1rni h GLU 248 Ca -0.02 0.00 0.00 0.00 0.34 0.00 0.00 59.36 59.68 1rni h GLU 248 Cb 0.12 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 28.77 1rni h GLU 248 CO 0.03 0.00 0.00 0.41 -1.16 0.00 0.00 179.01 178.29