#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3kei s VAL 2 N 0.00 4.87 -0.20 12.58 1.01 0.12 -4.84 120.40 133.94 3kei s VAL 2 Ca 0.00 1.83 -0.29 0.00 0.00 0.00 0.00 61.98 63.52 3kei s VAL 2 Cb 0.00 -4.22 0.00 0.00 0.00 0.00 0.00 36.38 32.16 3kei s VAL 2 CO 0.00 0.08 1.02 -0.69 0.00 0.00 0.00 175.10 175.51 3kei s VAL 3 N 1.67 4.71 -0.35 2.92 1.01 -1.26 -0.53 120.40 128.57 3kei s VAL 3 Ca 0.44 2.01 -0.11 0.00 0.00 0.00 0.00 61.98 64.33 3kei s VAL 3 Cb -0.18 -4.30 0.01 0.00 0.00 0.00 0.00 36.38 31.91 3kei s VAL 3 CO 0.18 -0.13 0.19 -0.69 0.00 0.00 0.00 175.10 174.65 3kei s VAL 4 N 2.92 4.66 0.12 2.92 1.01 0.05 -0.99 120.40 131.10 3kei s VAL 4 Ca 0.45 -0.62 -0.27 0.00 0.00 0.00 0.00 61.98 61.53 3kei s VAL 4 Cb -0.16 -3.49 -0.07 0.00 0.00 0.00 0.00 36.38 32.66 3kei s VAL 4 CO 0.09 -0.09 0.86 0.28 0.00 0.00 0.00 175.10 176.23 3kei s THR 5 N 1.60 4.47 0.36 3.92 -1.32 0.94 -0.69 115.64 124.92 3kei s THR 5 Ca 0.04 1.86 -0.08 0.00 -1.21 0.00 0.00 61.69 62.30 3kei s THR 5 Cb -0.18 -4.22 0.02 0.00 -1.51 0.00 0.00 72.50 66.61 3kei s THR 5 CO 0.07 0.40 0.60 0.28 -2.21 0.00 0.00 174.62 173.76 3kei s THR 6 N -0.45 0.00 0.03 5.08 -1.32 -1.13 -2.19 115.64 115.66 3kei s THR 6 Ca 0.41 -1.37 0.04 0.00 -1.21 0.00 0.00 61.69 59.56 3kei s THR 6 Cb -0.23 -2.73 -0.02 0.00 -1.51 0.00 0.00 72.50 68.02 3kei s THR 6 CO 0.27 0.00 -0.12 -0.51 -2.21 0.00 0.00 174.62 172.05 3kei s ILE 7 N -2.77 0.94 -0.64 5.08 2.07 -1.26 -0.85 121.20 123.77 3kei s ILE 7 Ca 0.25 -0.85 -0.27 0.00 -1.41 0.00 0.00 60.65 58.37 3kei s ILE 7 Cb -0.02 -0.86 -0.00 0.00 0.13 0.00 0.00 42.46 41.71 3kei s ILE 7 CO 0.17 0.01 1.67 -0.04 -1.91 0.00 0.00 174.94 174.84 3kei s MET 8 N -0.95 2.84 -0.18 3.50 -1.94 -1.26 -4.36 119.30 116.95 3kei s MET 8 Ca 0.01 0.37 -0.05 0.00 -1.71 0.00 0.00 55.69 54.30 3kei s MET 8 Cb -0.07 -4.31 0.09 0.00 2.01 0.00 0.00 34.83 32.55 3kei s MET 8 CO 0.01 -2.51 0.35 -2.00 -0.01 0.00 0.00 175.02 170.86 3kei s GLU 9 N 6.56 0.26 0.25 2.03 2.56 -0.75 -4.99 118.70 124.61 3kei s GLU 9 Ca 0.57 0.84 -0.30 0.00 0.00 0.00 0.00 54.97 56.09 3kei s GLU 9 Cb -0.11 0.04 -0.09 0.00 2.00 0.00 0.00 34.13 35.97 3kei s GLU 9 CO 0.19 -0.33 1.11 -1.12 -0.56 0.00 0.00 175.26 174.55 3kei s SER 10 N 2.53 7.25 -0.22 -1.70 0.01 -1.26 -0.17 113.70 120.14 3kei s SER 10 Ca 0.02 2.23 0.11 0.00 1.31 0.00 0.00 55.95 59.62 3kei s SER 10 Cb -0.13 -2.62 0.71 0.00 0.21 0.00 0.00 66.02 64.19 3kei s SER 10 CO -0.12 -0.18 1.60 -0.81 0.41 0.00 0.00 173.24 174.15 3kei n PRO 11 N 1.57 4.24 -0.00 12.44 -0.04 -1.26 -4.93 135.00 147.01 3kei n PRO 11 Ca 0.00 -2.73 -0.13 0.00 -0.04 0.00 0.00 63.50 60.61 3kei n PRO 11 Cb 0.45 -2.16 -0.10 0.00 -0.04 0.00 0.00 33.50 31.65 3kei n PRO 11 CO 0.00 0.00 0.00 1.88 -0.04 0.00 0.00 175.50 177.34 3kei h TYR 12 N 3.29 -0.06 -3.33 0.54 0.05 -0.89 -0.25 116.97 116.32 3kei h TYR 12 Ca 0.04 -0.00 -0.34 0.00 0.05 0.00 0.00 58.73 58.47 3kei h TYR 12 Cb 1.85 0.02 -0.37 0.00 1.01 0.00 0.00 36.73 39.24 3kei h TYR 12 CO 0.99 0.50 -0.72 0.08 -1.05 0.00 0.00 178.16 177.96 3kei s VAL 13 N -3.67 -0.11 0.04 -2.88 1.01 -0.40 -0.57 120.40 113.82 3kei s VAL 13 Ca -0.16 0.37 -0.00 0.00 0.00 0.00 0.00 61.98 62.19 3kei s VAL 13 Cb 0.00 -0.15 -0.03 0.00 0.00 0.00 0.00 36.38 36.20 3kei s VAL 13 CO 0.62 0.15 -0.03 -0.04 0.00 0.00 0.00 175.10 175.80 3kei s MET 14 N 1.92 0.48 0.21 2.72 -1.94 0.17 -1.81 119.30 121.05 3kei s MET 14 Ca 0.01 -0.94 -0.30 0.00 -1.71 0.00 0.00 55.69 52.75 3kei s MET 14 Cb -0.12 0.15 -0.09 0.00 2.01 0.00 0.00 34.83 36.78 3kei s MET 14 CO -0.03 -0.08 1.29 0.71 -0.01 0.00 0.00 175.02 176.90 3kei s TYR 15 N -2.78 3.26 0.81 -0.03 2.02 -1.26 -1.10 117.35 118.27 3kei s TYR 15 Ca -0.03 1.26 -0.13 0.00 -0.37 0.00 0.00 57.07 57.80 3kei s TYR 15 Cb -0.00 -3.59 0.08 0.00 -0.40 0.00 0.00 41.96 38.05 3kei s TYR 15 CO -0.06 -1.79 1.17 0.15 -1.57 0.00 0.00 175.55 173.45 3kei s LYS 16 N -0.28 1.72 0.24 -0.62 1.02 -0.25 -4.78 119.74 116.79 3kei s LYS 16 Ca 0.55 1.61 -0.31 0.00 0.02 0.00 0.00 55.97 57.84 3kei s LYS 16 Cb -0.36 -1.80 -0.11 0.00 -0.52 0.00 0.00 37.83 35.03 3kei s LYS 16 CO 0.39 -2.12 1.65 0.21 -0.92 0.00 0.00 175.35 174.56 3kei s LYS 17 N -4.31 4.14 -1.28 1.68 2.47 -1.26 -2.12 119.74 119.05 3kei s LYS 17 Ca 0.70 2.57 -0.08 0.00 -1.56 0.00 0.00 55.97 57.59 3kei s LYS 17 Cb -0.25 -3.06 0.01 0.00 -1.46 0.00 0.00 37.83 33.06 3kei s LYS 17 CO 0.51 -0.68 1.12 0.09 0.16 0.00 0.00 175.35 176.55 3kei n ASN 18 N 3.23 -6.03 0.10 1.43 3.02 -1.26 -4.90 115.26 110.86 3kei n ASN 18 Ca 0.12 -0.51 0.17 0.00 -0.03 0.00 0.00 54.58 54.33 3kei n ASN 18 Cb 0.36 -4.78 0.70 0.00 -0.61 0.00 0.00 39.78 35.46 3kei n ASN 18 CO 0.00 0.00 0.00 1.12 -2.62 0.00 0.00 177.26 175.76 3kei h HIS 19 N -2.54 0.00 -0.36 3.10 2.07 -1.72 -2.19 115.15 113.51 3kei h HIS 19 Ca -0.54 0.00 0.10 0.00 -2.85 0.00 0.00 60.37 57.09 3kei h HIS 19 Cb 1.35 0.00 -0.01 0.00 2.57 0.00 0.00 27.41 31.31 3kei h HIS 19 CO 0.47 0.00 0.32 0.93 -3.07 0.00 0.00 177.93 176.58 3kei h GLU 20 N 0.00 0.00 -0.01 5.12 3.07 -1.90 -1.68 114.58 119.18 3kei h GLU 20 Ca 0.16 0.00 0.00 0.00 -0.50 0.00 0.00 59.36 59.02 3kei h GLU 20 Cb 0.69 0.00 0.00 0.00 -0.84 0.00 0.00 28.75 28.60 3kei h GLU 20 CO -0.00 0.00 -0.33 0.00 -1.40 0.00 0.00 179.01 177.28 3kei n MET 21 N -4.04 0.67 -3.78 2.33 0.00 -0.82 -4.91 117.12 106.57 3kei n MET 21 Ca 0.06 -0.40 -0.20 0.00 0.00 0.00 0.00 57.70 57.15 3kei n MET 21 Cb 0.49 -1.49 -0.02 0.00 0.00 0.00 0.00 33.22 32.20 3kei n MET 21 CO 0.00 0.00 0.00 -0.06 0.00 0.00 0.00 175.97 175.91 3kei s PHE 22 N -2.61 3.28 0.03 3.17 0.40 -0.63 -5.12 117.98 116.50 3kei s PHE 22 Ca 0.21 -0.11 0.08 0.00 -0.60 0.00 0.00 56.93 56.51 3kei s PHE 22 Cb 0.19 -1.74 -0.03 0.00 0.51 0.00 0.00 43.02 41.95 3kei s PHE 22 CO 0.57 0.26 -0.21 -1.21 0.70 0.00 0.00 175.22 175.32 3kei s GLU 23 N -4.05 2.01 5.39 0.44 0.41 -1.26 -4.70 118.70 116.94 3kei s GLU 23 Ca 0.38 -1.00 0.00 0.00 -0.41 0.00 0.00 54.97 53.94 3kei s GLU 23 Cb -0.09 -2.12 0.00 0.00 -1.78 0.00 0.00 34.13 30.14 3kei s GLU 23 CO 0.30 0.54 0.00 0.41 -0.49 0.00 0.00 175.26 176.01 3kei n GLY 24 N 1.77 2.98 0.36 -1.39 0.00 -1.26 -1.89 105.19 105.76 3kei n GLY 24 Ca -0.16 -0.22 0.19 0.00 0.00 0.00 0.00 46.02 45.82 3kei n GLY 24 CO 0.00 0.00 0.00 3.43 0.00 0.00 0.00 173.32 176.75 3kei h ASN 25 N 4.07 0.00 0.47 1.61 2.35 -1.93 -2.22 115.58 119.93 3kei h ASN 25 Ca 0.00 0.00 0.00 0.00 -0.55 0.00 0.00 56.30 55.75 3kei h ASN 25 Cb 0.00 0.00 0.00 0.00 0.05 0.00 0.00 38.32 38.37 3kei h ASN 25 CO 0.00 0.00 0.00 0.47 -1.65 0.00 0.00 177.43 176.25 3kei n ASP 26 N -3.90 0.00 0.26 5.81 10.43 -0.79 -2.23 116.55 126.13 3kei n ASP 26 Ca 0.05 0.40 0.14 0.00 2.57 0.00 0.00 54.79 57.95 3kei n ASP 26 Cb 0.47 -0.45 0.60 0.00 1.84 0.00 0.00 41.12 43.58 3kei n ASP 26 CO 0.00 0.00 0.00 0.11 -1.07 0.00 0.00 177.20 176.24 3kei h LYS 27 N 0.00 0.00 -6.48 -1.24 1.57 -1.51 -3.44 116.57 105.46 3kei h LYS 27 Ca 0.00 0.00 -0.63 0.00 -1.87 0.00 0.00 60.65 58.15 3kei h LYS 27 Cb 0.23 0.00 -0.15 0.00 0.08 0.00 0.00 32.23 32.39 3kei h LYS 27 CO 0.00 0.10 -0.74 0.71 -0.57 0.00 0.00 179.45 178.94 3kei s TYR 28 N -3.70 2.58 0.10 -1.35 2.02 -0.95 -1.10 117.35 114.95 3kei s TYR 28 Ca 0.01 -0.24 -0.06 0.00 -0.37 0.00 0.00 57.07 56.40 3kei s TYR 28 Cb 0.10 -1.27 -0.02 0.00 -0.40 0.00 0.00 41.96 40.38 3kei s TYR 28 CO 0.58 0.51 0.14 -1.83 -1.57 0.00 0.00 175.55 173.37 3kei s GLU 29 N -2.77 0.85 0.00 -0.62 -1.05 -0.26 -4.77 118.70 110.07 3kei s GLU 29 Ca 0.24 -1.11 0.00 0.00 -0.15 0.00 0.00 54.97 53.95 3kei s GLU 29 Cb -0.09 0.30 0.00 0.00 -0.44 0.00 0.00 34.13 33.91 3kei s GLU 29 CO 0.14 -0.25 0.00 0.41 0.95 0.00 0.00 175.26 176.51 3kei n GLY 30 N -0.05 1.56 0.22 -3.83 0.00 -1.26 -0.66 105.19 101.18 3kei n GLY 30 Ca -0.13 -1.79 -0.00 0.00 0.00 0.00 0.00 46.02 44.10 3kei n GLY 30 CO 0.00 0.00 0.00 -1.82 0.00 0.00 0.00 173.32 171.50 3kei h TYR 31 N 0.00 0.23 0.00 1.61 5.03 -0.59 -0.86 116.97 122.38 3kei h TYR 31 Ca 0.00 0.03 -0.09 0.00 2.58 0.00 0.00 58.73 61.26 3kei h TYR 31 Cb 0.00 -0.02 -0.01 0.00 1.55 0.00 0.00 36.73 38.25 3kei h TYR 31 CO 0.00 0.01 -0.41 0.00 -1.32 0.00 0.00 178.16 176.44 3kei h VAL 33 N 0.00 1.21 -0.59 0.00 2.07 -1.39 -0.11 116.25 117.44 3kei h VAL 33 Ca -0.00 -0.70 -0.11 0.00 0.82 0.00 0.00 66.70 66.71 3kei h VAL 33 Cb 1.28 1.10 -0.02 0.00 -1.52 0.00 0.00 31.29 32.13 3kei h VAL 33 CO 0.05 0.23 -0.05 0.44 0.02 0.00 0.00 177.57 178.27 3kei h ASP 34 N 0.32 1.06 -0.70 0.57 3.45 -0.97 -2.26 116.42 117.89 3kei h ASP 34 Ca 0.09 -0.32 -0.05 0.00 0.43 0.00 0.00 57.03 57.18 3kei h ASP 34 Cb 0.28 -0.29 -0.03 0.00 -0.56 0.00 0.00 39.33 38.73 3kei h ASP 34 CO -0.00 1.13 0.23 0.25 -1.57 0.00 0.00 179.24 179.28 3kei h LEU 35 N 0.96 1.00 -0.37 1.55 5.85 -0.85 -1.05 115.31 122.41 3kei h LEU 35 Ca 0.16 -0.20 0.02 0.00 0.84 0.00 0.00 57.88 58.71 3kei h LEU 35 Cb 0.61 -0.26 -0.03 0.00 0.37 0.00 0.00 40.66 41.35 3kei h LEU 35 CO 0.04 0.93 0.19 0.00 -0.34 0.00 0.00 178.44 179.26 3kei h ALA 36 N 1.11 0.45 -0.52 1.25 0.00 -0.90 -0.31 119.26 120.34 3kei h ALA 36 Ca 0.23 0.01 0.00 0.00 0.00 0.00 0.00 54.91 55.15 3kei h ALA 36 Cb 0.28 -0.07 -0.03 0.00 0.00 0.00 0.00 17.79 17.98 3kei h ALA 36 CO -0.01 -0.17 0.34 0.77 0.00 0.00 0.00 179.25 180.18 3kei h SER 37 N 0.39 0.61 -0.14 0.00 0.02 -1.12 -1.09 113.55 112.22 3kei h SER 37 Ca 0.15 -0.02 -0.00 0.00 -0.84 0.00 0.00 61.79 61.08 3kei h SER 37 Cb 0.05 -0.15 -0.01 0.00 0.14 0.00 0.00 62.40 62.43 3kei h SER 37 CO -0.10 0.45 0.08 -0.33 -1.14 0.00 0.00 176.83 175.79 3kei h GLU 38 N 0.71 0.19 -0.10 3.45 4.39 -0.92 -1.77 114.58 120.54 3kei h GLU 38 Ca 0.19 -0.02 -0.01 0.00 0.34 0.00 0.00 59.36 59.86 3kei h GLU 38 Cb -0.07 -0.04 -0.00 0.00 -0.10 0.00 0.00 28.75 28.54 3kei h GLU 38 CO -0.04 0.19 0.03 0.82 -1.16 0.00 0.00 179.01 178.85 3kei h ILE 39 N 0.14 1.18 -0.88 3.13 2.04 -0.95 -1.87 117.51 120.29 3kei h ILE 39 Ca 0.05 -0.54 0.11 0.00 1.00 0.00 0.00 64.86 65.47 3kei h ILE 39 Cb 0.06 1.36 -0.07 0.00 -0.74 0.00 0.00 36.82 37.43 3kei h ILE 39 CO -0.01 0.16 0.57 0.00 0.00 0.00 0.00 178.15 178.87 3kei h ALA 40 N 0.84 1.68 -0.41 1.87 0.00 -1.17 0.30 119.26 122.37 3kei h ALA 40 Ca 0.03 0.00 -0.07 0.00 0.00 0.00 0.00 54.91 54.87 3kei h ALA 40 Cb 0.22 -0.19 -0.01 0.00 0.00 0.00 0.00 17.79 17.81 3kei h ALA 40 CO -0.00 0.13 -0.02 -0.22 0.00 0.00 0.00 179.25 179.13 3kei h LYS 41 N 0.83 0.73 -0.49 0.00 3.64 -1.12 0.54 116.57 120.71 3kei h LYS 41 Ca 0.42 -0.24 -0.13 0.00 -1.27 0.00 0.00 60.65 59.42 3kei h LYS 41 Cb 0.47 -0.06 -0.01 0.00 -0.41 0.00 0.00 32.23 32.22 3kei h LYS 41 CO -0.18 0.83 -0.21 0.45 -2.27 0.00 0.00 179.45 178.07 3kei h HIS 42 N 0.56 1.14 -0.01 1.91 3.86 -0.42 -3.28 115.15 118.92 3kei h HIS 42 Ca 0.11 -0.27 0.00 0.00 -1.16 0.00 0.00 60.37 59.05 3kei h HIS 42 Cb 0.51 -0.27 0.00 0.00 1.06 0.00 0.00 27.41 28.71 3kei h HIS 42 CO 0.04 1.10 -0.78 0.44 0.86 0.00 0.00 177.93 179.59 3kei n ILE 43 N -4.11 0.00 -2.28 2.45 -5.35 -0.01 -5.01 119.36 105.05 3kei n ILE 43 Ca 0.00 -0.09 -0.05 0.00 -0.27 0.00 0.00 62.75 62.34 3kei n ILE 43 Cb 0.46 1.04 0.03 0.00 -1.74 0.00 0.00 39.64 39.42 3kei n ILE 43 CO 0.00 0.00 0.00 0.61 -1.76 0.00 0.00 176.55 175.40 3kei n GLY 44 N 1.47 0.18 3.22 3.28 0.00 0.12 -5.05 105.19 108.40 3kei n GLY 44 Ca 0.06 -0.12 -0.20 0.00 0.00 0.00 0.00 46.02 45.77 3kei n GLY 44 CO 0.00 0.00 0.00 -0.26 0.00 0.00 0.00 173.32 173.06 3kei s ILE 45 N -3.13 1.31 0.05 -0.61 -4.36 -0.82 -5.06 121.20 108.59 3kei s ILE 45 Ca 0.09 -1.46 -0.12 0.00 -0.26 0.00 0.00 60.65 58.90 3kei s ILE 45 Cb -0.01 -1.29 -0.06 0.00 1.25 0.00 0.00 42.46 42.35 3kei s ILE 45 CO 0.25 -0.23 0.41 -0.54 0.24 0.00 0.00 174.94 175.07 3kei s LYS 46 N -1.99 3.81 0.04 0.37 1.02 -1.26 -4.72 119.74 117.01 3kei s LYS 46 Ca 0.03 0.26 -0.04 0.00 0.02 0.00 0.00 55.97 56.24 3kei s LYS 46 Cb -0.09 -3.07 -0.02 0.00 -0.52 0.00 0.00 37.83 34.13 3kei s LYS 46 CO 0.03 0.60 0.05 1.52 -0.92 0.00 0.00 175.35 176.63 3kei s TYR 47 N -1.29 0.29 -0.09 3.18 1.13 -1.26 0.15 117.35 119.45 3kei s TYR 47 Ca 0.30 -0.67 0.01 0.00 -1.41 0.00 0.00 57.07 55.31 3kei s TYR 47 Cb -0.15 -0.21 0.02 0.00 -1.10 0.00 0.00 41.96 40.52 3kei s TYR 47 CO 0.16 -0.36 -0.12 0.21 -2.51 0.00 0.00 175.55 172.93 3kei s LYS 48 N -2.88 1.87 -0.01 -3.49 2.20 0.31 -4.85 119.74 112.88 3kei s LYS 48 Ca -0.03 -0.43 -0.30 0.00 -0.36 0.00 0.00 55.97 54.85 3kei s LYS 48 Cb 0.00 -1.65 -0.05 0.00 -1.51 0.00 0.00 37.83 34.63 3kei s LYS 48 CO -0.06 -0.08 1.33 0.42 -0.36 0.00 0.00 175.35 176.59 3kei s ILE 49 N 1.05 3.89 -0.25 5.43 1.01 -1.26 -0.77 121.20 130.30 3kei s ILE 49 Ca -0.07 1.26 0.01 0.00 0.00 0.00 0.00 60.65 61.85 3kei s ILE 49 Cb -0.15 -3.81 0.07 0.00 0.01 0.00 0.00 42.46 38.58 3kei s ILE 49 CO -0.01 0.01 -0.03 0.00 0.00 0.00 0.00 174.94 174.91 3kei s ALA 50 N 2.21 1.95 0.10 9.38 0.00 0.13 -4.85 121.76 130.69 3kei s ALA 50 Ca 0.61 -1.44 -0.31 0.00 0.00 0.00 0.00 51.96 50.82 3kei s ALA 50 Cb -0.29 -1.48 -0.09 0.00 0.00 0.00 0.00 23.12 21.26 3kei s ALA 50 CO 0.25 -1.27 1.55 0.42 0.00 0.00 0.00 175.76 176.72 3kei s ILE 51 N 1.40 3.01 -0.24 0.00 -1.09 -1.26 -2.83 121.20 120.19 3kei s ILE 51 Ca -0.03 0.61 -0.37 0.00 -2.23 0.00 0.00 60.65 58.63 3kei s ILE 51 Cb -0.19 -3.39 -0.13 0.00 -1.58 0.00 0.00 42.46 37.17 3kei s ILE 51 CO -0.08 0.02 1.89 0.55 -1.23 0.00 0.00 174.94 176.09 3kei n VAL 52 N 4.33 0.37 -0.27 2.92 3.14 -0.03 -4.87 118.33 123.93 3kei n VAL 52 Ca 0.14 -0.11 0.06 0.00 -2.96 0.00 0.00 64.34 61.47 3kei n VAL 52 Cb 0.40 -1.52 0.20 0.00 -1.06 0.00 0.00 33.84 31.87 3kei n VAL 52 CO 0.00 0.00 0.00 -0.65 -6.46 0.00 0.00 176.83 169.72 3kei h PRO 53 N 8.94 0.43 -0.00 1.45 0.11 -1.91 -2.21 132.00 138.80 3kei h PRO 53 Ca -0.43 -0.03 0.00 0.00 0.11 0.00 0.00 66.00 65.65 3kei h PRO 53 Cb 1.30 -0.10 0.00 0.00 0.11 0.00 0.00 31.00 32.32 3kei h PRO 53 CO 0.97 0.28 -0.12 -0.40 -0.21 0.00 0.00 178.00 178.52 3kei n ASP 54 N -5.01 0.37 -0.72 -2.05 3.85 -1.26 -4.94 116.55 106.78 3kei n ASP 54 Ca 0.15 -0.37 -0.08 0.00 -0.71 0.00 0.00 54.79 53.78 3kei n ASP 54 Cb 0.45 -0.12 -0.03 0.00 -1.35 0.00 0.00 41.12 40.07 3kei n ASP 54 CO 0.00 0.00 0.00 0.61 -1.01 0.00 0.00 177.20 176.80 3kei n GLY 55 N 1.33 0.72 3.58 6.12 0.00 -0.83 -4.99 105.19 111.12 3kei n GLY 55 Ca 0.13 -0.63 -0.26 0.00 0.00 0.00 0.00 46.02 45.26 3kei n GLY 55 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3kei s LYS 56 N -3.21 2.09 -0.05 1.61 1.02 -1.26 -4.94 119.74 115.01 3kei s LYS 56 Ca 0.00 -1.31 -0.15 0.00 0.02 0.00 0.00 55.97 54.53 3kei s LYS 56 Cb 0.00 -2.15 -0.09 0.00 -0.52 0.00 0.00 37.83 35.07 3kei s LYS 56 CO 0.00 0.42 0.60 1.88 -0.92 0.00 0.00 175.35 177.33 3kei h TYR 57 N 2.70 -0.37 0.00 3.18 -1.99 -1.86 -2.33 116.97 116.30 3kei h TYR 57 Ca -0.46 -0.01 0.00 0.00 2.00 0.00 0.00 58.73 60.26 3kei h TYR 57 Cb 1.21 0.12 0.00 0.00 2.00 0.00 0.00 36.73 40.07 3kei h TYR 57 CO 0.66 -0.14 0.00 0.41 -0.00 0.00 0.00 178.16 179.09 3kei n GLY 58 N 0.64 2.85 3.05 3.88 0.00 -0.41 -0.83 105.19 114.37 3kei n GLY 58 Ca -0.06 0.01 -0.09 0.00 0.00 0.00 0.00 46.02 45.89 3kei n GLY 58 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3kei s ALA 59 N 0.00 0.18 -0.24 4.61 0.00 -1.25 -4.57 121.76 120.49 3kei s ALA 59 Ca 0.00 -0.76 -0.11 0.00 0.00 0.00 0.00 51.96 51.08 3kei s ALA 59 Cb 0.00 0.21 -0.05 0.00 0.00 0.00 0.00 23.12 23.29 3kei s ALA 59 CO 0.00 -0.27 0.19 0.50 0.00 0.00 0.00 175.76 176.18 3kei s ARG 60 N -2.54 4.06 -0.11 0.00 3.52 -1.26 -1.51 118.95 121.11 3kei s ARG 60 Ca -0.06 -0.22 -0.29 0.00 -0.13 0.00 0.00 55.73 55.02 3kei s ARG 60 Cb -0.02 -3.56 -0.05 0.00 -1.56 0.00 0.00 34.95 29.76 3kei s ARG 60 CO -0.05 0.01 1.77 0.34 -0.81 0.00 0.00 175.30 176.56 3kei s ASP 61 N 1.17 6.38 0.00 -2.12 -1.08 -0.65 -4.84 116.67 115.54 3kei s ASP 61 Ca 0.09 2.08 0.02 0.00 -0.52 0.00 0.00 52.55 54.21 3kei s ASP 61 Cb -0.14 -2.53 0.09 0.00 -1.46 0.00 0.00 42.92 38.88 3kei s ASP 61 CO 0.06 -1.19 0.60 0.00 0.52 0.00 0.00 175.17 175.16 3kei n ALA 62 N 8.20 2.02 -0.01 3.66 0.00 -1.26 0.93 120.51 134.04 3kei n ALA 62 Ca 0.20 -0.01 -0.05 0.00 0.00 0.00 0.00 53.44 53.58 3kei n ALA 62 Cb 0.43 -1.03 -0.02 0.00 0.00 0.00 0.00 19.45 18.84 3kei n ALA 62 CO 0.00 0.00 0.00 -3.47 0.00 0.00 0.00 177.50 174.03 3kei n ASP 63 N -0.55 1.18 -0.64 0.00 4.64 -1.26 -4.77 116.55 115.16 3kei n ASP 63 Ca 0.01 0.18 0.11 0.00 -1.38 0.00 0.00 54.79 53.71 3kei n ASP 63 Cb 0.01 -0.42 0.03 0.00 -1.04 0.00 0.00 41.12 39.70 3kei n ASP 63 CO 0.00 0.00 0.00 1.07 -0.82 0.00 0.00 177.20 177.45 3kei n THR 64 N -3.71 0.00 -1.51 5.18 5.66 -1.21 -4.96 114.28 113.73 3kei n THR 64 Ca -0.09 -0.34 -0.18 0.00 -3.05 0.00 0.00 64.05 60.39 3kei n THR 64 Cb 0.31 1.33 -0.08 0.00 -1.55 0.00 0.00 70.33 70.34 3kei n THR 64 CO 0.00 0.00 0.00 0.29 -3.05 0.00 0.00 175.07 172.31 3kei n LYS 65 N 0.42 -1.54 -3.27 1.09 4.76 0.26 -4.95 118.16 114.94 3kei n LYS 65 Ca 0.11 1.12 -0.38 0.00 -2.87 0.00 0.00 58.31 56.29 3kei n LYS 65 Cb 0.50 -5.53 -0.06 0.00 -1.84 0.00 0.00 35.03 28.11 3kei n LYS 65 CO 0.00 0.00 0.00 0.42 -1.37 0.00 0.00 177.40 176.45 3kei s ILE 66 N -2.50 5.12 0.08 -0.18 1.01 -1.25 -4.67 121.20 118.80 3kei s ILE 66 Ca 0.00 1.07 -0.30 0.00 0.00 0.00 0.00 60.65 61.41 3kei s ILE 66 Cb 0.00 -3.86 -0.05 0.00 0.01 0.00 0.00 42.46 38.56 3kei s ILE 66 CO 0.00 0.34 1.04 0.26 0.00 0.00 0.00 174.94 176.59 3kei s TRP 67 N 0.43 3.64 0.30 3.97 0.52 -1.26 -1.64 118.94 124.90 3kei s TRP 67 Ca 0.28 1.62 0.04 0.00 0.02 0.00 0.00 56.10 58.07 3kei s TRP 67 Cb -0.16 -3.19 0.04 0.00 -1.15 0.00 0.00 33.47 29.00 3kei s TRP 67 CO 0.13 -0.33 0.31 0.27 0.02 0.00 0.00 176.95 177.35 3kei n ASN 68 N 3.32 1.53 0.00 2.95 0.23 -0.57 -4.23 115.26 118.49 3kei n ASN 68 Ca 0.05 -1.90 0.00 0.00 -0.53 0.00 0.00 54.58 52.20 3kei n ASN 68 Cb 0.49 -0.12 0.00 0.00 -2.08 0.00 0.00 39.78 38.07 3kei n ASN 68 CO 0.00 0.00 0.00 0.61 -0.93 0.00 0.00 177.26 176.94 3kei n GLY 69 N 1.41 0.60 0.30 4.83 0.00 -1.26 -1.15 105.19 109.92 3kei n GLY 69 Ca 0.04 -0.85 -0.03 0.00 0.00 0.00 0.00 46.02 45.18 3kei n GLY 69 CO 0.00 0.00 0.00 -0.33 0.00 0.00 0.00 173.32 172.99 3kei h MET 70 N 0.00 0.81 -0.60 1.61 2.86 -0.39 -1.93 114.93 117.28 3kei h MET 70 Ca 0.00 -0.17 0.02 0.00 -2.06 0.00 0.00 59.70 57.49 3kei h MET 70 Cb 0.00 -0.12 -0.04 0.00 0.06 0.00 0.00 31.60 31.50 3kei h MET 70 CO 0.00 0.74 0.38 0.28 1.06 0.00 0.00 176.91 179.37 3kei h VAL 71 N 0.78 1.09 -0.48 -2.22 2.07 -1.54 -2.39 116.25 113.55 3kei h VAL 71 Ca 0.17 -0.26 0.04 0.00 0.82 0.00 0.00 66.70 67.47 3kei h VAL 71 Cb 0.31 0.28 -0.04 0.00 -1.52 0.00 0.00 31.29 30.32 3kei h VAL 71 CO 0.00 0.14 0.25 1.23 0.02 0.00 0.00 177.57 179.21 3kei h GLY 72 N 0.75 0.68 0.84 2.17 0.00 -0.40 -0.65 103.07 106.46 3kei h GLY 72 Ca 0.24 -0.18 0.06 0.00 0.00 0.00 0.00 47.33 47.45 3kei h GLY 72 CO -0.09 0.12 0.60 0.83 0.00 0.00 0.00 176.54 178.00 3kei h GLU 73 N 0.50 1.02 -0.02 4.80 4.39 -0.89 -0.96 114.58 123.42 3kei h GLU 73 Ca 0.21 -0.06 -0.01 0.00 0.34 0.00 0.00 59.36 59.84 3kei h GLU 73 Cb 0.10 -0.23 0.00 0.00 -0.10 0.00 0.00 28.75 28.52 3kei h GLU 73 CO -0.14 0.67 -0.04 -0.07 -1.16 0.00 0.00 179.01 178.28 3kei h LEU 74 N 1.05 0.06 -0.97 1.33 3.38 -1.17 0.33 115.31 119.32 3kei h LEU 74 Ca 0.39 -0.57 0.07 0.00 0.09 0.00 0.00 57.88 57.87 3kei h LEU 74 Cb 0.19 -0.02 -0.07 0.00 0.09 0.00 0.00 40.66 40.85 3kei h LEU 74 CO -0.15 0.62 0.62 0.58 0.09 0.00 0.00 178.44 180.20 3kei h VAL 75 N -0.49 1.05 -0.47 1.22 2.07 -0.68 -2.50 116.25 116.44 3kei h VAL 75 Ca 0.00 -0.38 0.00 0.00 0.82 0.00 0.00 66.70 67.14 3kei h VAL 75 Cb 0.61 -0.15 0.00 0.00 -1.52 0.00 0.00 31.29 30.23 3kei h VAL 75 CO 0.01 0.20 0.00 -1.22 0.02 0.00 0.00 177.57 176.58 3kei n TYR 76 N -4.55 0.62 -1.25 1.57 4.02 -0.40 -4.95 117.16 112.21 3kei n TYR 76 Ca 0.15 -0.31 -0.03 0.00 -0.01 0.00 0.00 57.90 57.71 3kei n TYR 76 Cb 0.21 0.00 -0.01 0.00 -0.02 0.00 0.00 39.34 39.52 3kei n TYR 76 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 176.86 176.26 3kei n GLY 77 N 1.46 0.54 0.08 2.72 0.00 -0.94 -4.93 105.19 104.11 3kei n GLY 77 Ca 0.20 -0.92 0.12 0.00 0.00 0.00 0.00 46.02 45.43 3kei n GLY 77 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 3kei n LYS 78 N -2.63 0.26 -3.86 1.61 4.76 0.11 -4.88 118.16 113.53 3kei n LYS 78 Ca -0.03 0.13 -0.10 0.00 -2.87 0.00 0.00 58.31 55.44 3kei n LYS 78 Cb 0.17 -1.72 -0.08 0.00 -1.84 0.00 0.00 35.03 31.55 3kei n LYS 78 CO 0.00 0.00 0.00 0.00 -1.37 0.00 0.00 177.40 176.03 3kei s ALA 79 N -3.13 -0.32 -0.27 7.82 0.00 -0.75 -4.96 121.76 120.16 3kei s ALA 79 Ca 0.08 -0.34 0.19 0.00 0.00 0.00 0.00 51.96 51.89 3kei s ALA 79 Cb 0.13 0.30 -0.26 0.00 0.00 0.00 0.00 23.12 23.29 3kei s ALA 79 CO 0.66 -0.37 0.51 0.39 0.00 0.00 0.00 175.76 176.96 3kei n GLU 80 N 0.62 0.69 -3.65 0.00 4.71 -0.16 -4.40 120.64 118.45 3kei n GLU 80 Ca -0.18 -0.12 -0.15 0.00 -0.01 0.00 0.00 57.16 56.69 3kei n GLU 80 Cb 0.59 -1.42 -0.08 0.00 -1.01 0.00 0.00 31.44 29.53 3kei n GLU 80 CO 0.00 0.00 0.00 -1.50 0.09 0.00 0.00 177.13 175.72 3kei s ILE 81 N -3.13 0.02 -0.24 -3.67 2.07 -1.06 -4.26 121.20 110.93 3kei s ILE 81 Ca -0.03 -0.18 -0.02 0.00 -1.41 0.00 0.00 60.65 59.02 3kei s ILE 81 Cb 0.12 -0.79 0.02 0.00 0.13 0.00 0.00 42.46 41.95 3kei s ILE 81 CO 0.77 -0.10 -0.07 0.00 -1.91 0.00 0.00 174.94 173.63 3kei s ALA 82 N -0.88 2.68 -0.58 1.50 0.00 0.40 -0.04 121.76 124.84 3kei s ALA 82 Ca -0.09 -1.41 0.04 0.00 0.00 0.00 0.00 51.96 50.50 3kei s ALA 82 Cb -0.03 -1.65 0.14 0.00 0.00 0.00 0.00 23.12 21.58 3kei s ALA 82 CO 0.06 -0.74 0.34 0.42 0.00 0.00 0.00 175.76 175.83 3kei s ILE 83 N 1.34 2.69 0.33 0.00 1.01 -0.93 -1.62 121.20 124.02 3kei s ILE 83 Ca 0.01 -3.64 -0.10 0.00 0.00 0.00 0.00 60.65 56.92 3kei s ILE 83 Cb -0.16 -2.83 0.02 0.00 0.01 0.00 0.00 42.46 39.49 3kei s ILE 83 CO -0.05 -0.87 0.59 0.00 0.00 0.00 0.00 174.94 174.61 3kei s ALA 84 N -0.68 -0.06 -1.13 9.38 0.00 -1.26 -4.68 121.76 123.33 3kei s ALA 84 Ca 0.20 -1.05 -0.17 0.00 0.00 0.00 0.00 51.96 50.93 3kei s ALA 84 Cb -0.19 0.97 -0.06 0.00 0.00 0.00 0.00 23.12 23.84 3kei s ALA 84 CO -0.05 -0.88 2.10 -0.35 0.00 0.00 0.00 175.76 176.57 3kei n PRO 85 N -0.51 2.22 -3.59 0.00 -0.04 -1.26 -4.74 135.00 127.09 3kei n PRO 85 Ca -0.03 -2.21 -0.39 0.00 -0.04 0.00 0.00 63.50 60.83 3kei n PRO 85 Cb 0.61 -3.09 -0.11 0.00 -0.04 0.00 0.00 33.50 30.87 3kei n PRO 85 CO 0.00 0.00 0.00 -1.17 -0.04 0.00 0.00 175.50 174.29 3kei s LEU 86 N 1.62 4.31 0.19 1.53 2.96 -1.26 -5.03 118.68 123.01 3kei s LEU 86 Ca 0.52 -0.43 -0.30 0.00 -0.22 0.00 0.00 54.13 53.70 3kei s LEU 86 Cb 0.14 -2.08 -0.08 0.00 0.50 0.00 0.00 46.19 44.67 3kei s LEU 86 CO 0.01 -0.20 1.26 -0.89 -1.32 0.00 0.00 176.35 175.20 3kei s THR 87 N 1.68 3.37 -0.25 3.68 2.01 -1.26 -1.99 115.64 122.88 3kei s THR 87 Ca 0.06 1.14 -0.29 0.00 0.31 0.00 0.00 61.69 62.91 3kei s THR 87 Cb -0.17 -3.73 -0.01 0.00 0.01 0.00 0.00 72.50 68.60 3kei s THR 87 CO 0.09 0.18 1.39 -0.63 -0.69 0.00 0.00 174.62 174.96 3kei s ILE 88 N 0.03 4.02 0.11 1.82 1.01 -0.40 -4.88 121.20 122.91 3kei s ILE 88 Ca 0.55 1.17 0.03 0.00 0.00 0.00 0.00 60.65 62.39 3kei s ILE 88 Cb -0.35 -3.99 -0.04 0.00 0.01 0.00 0.00 42.46 38.09 3kei s ILE 88 CO 0.38 -0.37 -0.08 0.42 0.00 0.00 0.00 174.94 175.29 3kei s THR 89 N 4.47 0.87 0.12 2.92 -4.23 -1.26 -4.74 115.64 113.79 3kei s THR 89 Ca 0.61 -1.93 -0.23 0.00 -1.18 0.00 0.00 61.69 58.95 3kei s THR 89 Cb -0.20 -1.69 -0.06 0.00 1.34 0.00 0.00 72.50 71.90 3kei s THR 89 CO 0.24 -0.79 1.68 0.25 -0.54 0.00 0.00 174.62 175.45 3kei h LEU 90 N 2.99 -0.39 -1.24 4.79 5.85 -1.98 0.10 115.31 125.43 3kei h LEU 90 Ca -0.36 0.07 -0.04 0.00 0.84 0.00 0.00 57.88 58.39 3kei h LEU 90 Cb 1.18 0.18 -0.02 0.00 0.37 0.00 0.00 40.66 42.36 3kei h LEU 90 CO 0.63 -0.18 0.08 -0.37 -0.34 0.00 0.00 178.44 178.26 3kei h VAL 91 N -0.19 1.19 -0.16 1.05 -1.51 -2.00 -2.11 116.25 112.52 3kei h VAL 91 Ca 0.07 -0.70 -0.22 0.00 -1.23 0.00 0.00 66.70 64.62 3kei h VAL 91 Cb 0.28 0.80 0.01 0.00 -2.13 0.00 0.00 31.29 30.25 3kei h VAL 91 CO -0.17 0.25 -0.76 0.03 -1.23 0.00 0.00 177.57 175.70 3kei h ARG 92 N 0.59 0.75 0.00 5.19 3.08 -1.90 -3.12 114.38 118.97 3kei h ARG 92 Ca 0.13 -0.60 -0.01 0.00 0.07 0.00 0.00 59.98 59.57 3kei h ARG 92 Cb 0.25 0.12 -0.00 0.00 0.08 0.00 0.00 29.97 30.43 3kei h ARG 92 CO -0.00 1.22 -0.03 0.93 -1.07 0.00 0.00 179.97 181.02 3kei h GLU 93 N 0.52 0.00 0.00 0.04 4.39 -0.39 0.87 114.58 120.01 3kei h GLU 93 Ca -0.04 0.00 0.00 0.00 0.34 0.00 0.00 59.36 59.66 3kei h GLU 93 Cb 1.38 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 30.03 3kei h GLU 93 CO 0.15 0.03 0.00 0.93 -1.16 0.00 0.00 179.01 178.96 3kei h GLU 94 N 0.00 0.00 0.00 2.33 5.08 -1.33 -3.36 114.58 117.29 3kei h GLU 94 Ca -0.00 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.36 3kei h GLU 94 Cb 0.11 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.36 3kei h GLU 94 CO 0.00 0.00 -0.91 1.33 -1.00 0.00 0.00 179.01 178.43 3kei n VAL 95 N -3.05 0.00 -4.31 3.13 0.24 -0.49 -5.08 118.33 108.77 3kei n VAL 95 Ca 0.02 0.00 -0.16 0.00 -2.04 0.00 0.00 64.34 62.15 3kei n VAL 95 Cb 0.36 0.20 -0.10 0.00 -1.47 0.00 0.00 33.84 32.83 3kei n VAL 95 CO 0.00 0.00 0.00 0.27 -2.14 0.00 0.00 176.83 174.96 3kei s ILE 96 N -1.84 0.51 0.11 1.34 -4.36 0.18 -4.31 121.20 112.83 3kei s ILE 96 Ca 0.00 -2.00 0.04 0.00 -0.26 0.00 0.00 60.65 58.43 3kei s ILE 96 Cb 0.00 -2.62 -0.04 0.00 1.25 0.00 0.00 42.46 41.05 3kei s ILE 96 CO 0.00 0.00 0.11 -1.81 0.24 0.00 0.00 174.94 173.48 3kei s ASP 97 N -3.31 5.59 0.02 4.36 1.01 -0.32 -4.18 116.67 119.84 3kei s ASP 97 Ca 0.38 -0.04 0.06 0.00 0.71 0.00 0.00 52.55 53.67 3kei s ASP 97 Cb 0.08 -1.51 -0.02 0.00 1.01 0.00 0.00 42.92 42.48 3kei s ASP 97 CO 0.14 0.13 -0.19 -0.36 0.21 0.00 0.00 175.17 175.09 3kei s PHE 98 N -1.54 1.72 0.96 4.23 0.08 -1.26 -1.58 117.98 120.58 3kei s PHE 98 Ca 0.30 -0.35 -0.11 0.00 0.12 0.00 0.00 56.93 56.89 3kei s PHE 98 Cb -0.11 -1.06 0.17 0.00 -0.57 0.00 0.00 43.02 41.44 3kei s PHE 98 CO 0.23 0.03 1.09 -1.54 -0.10 0.00 0.00 175.22 174.94 3kei s SER 99 N -0.85 2.74 0.76 1.36 1.04 -0.14 -4.93 113.70 113.68 3kei s SER 99 Ca 0.07 1.74 -0.15 0.00 0.48 0.00 0.00 55.95 58.09 3kei s SER 99 Cb -0.08 -2.36 0.01 0.00 0.10 0.00 0.00 66.02 63.69 3kei s SER 99 CO 0.01 -3.14 0.83 0.29 0.98 0.00 0.00 173.24 172.20 3kei n LYS 100 N -4.23 0.30 -1.75 4.02 4.76 -1.26 -4.48 118.16 115.51 3kei n LYS 100 Ca 0.08 0.16 -0.42 0.00 -2.87 0.00 0.00 58.31 55.26 3kei n LYS 100 Cb 0.54 -2.11 -0.01 0.00 -1.84 0.00 0.00 35.03 31.60 3kei n LYS 100 CO 0.00 0.00 0.00 -2.30 -1.37 0.00 0.00 177.40 173.73 3kei n PRO 101 N -1.80 2.65 0.01 1.97 -0.02 -1.26 -4.62 135.00 131.92 3kei n PRO 101 Ca 0.12 0.94 0.11 0.00 -2.02 0.00 0.00 63.50 62.64 3kei n PRO 101 Cb 0.50 -2.69 0.02 0.00 -0.02 0.00 0.00 33.50 31.31 3kei n PRO 101 CO 0.00 0.00 0.00 1.97 1.98 0.00 0.00 175.50 179.45 3kei n PHE 102 N 1.53 0.09 -3.73 6.00 1.16 0.02 -4.93 117.46 117.60 3kei n PHE 102 Ca 0.06 0.03 -0.13 0.00 -1.87 0.00 0.00 57.45 55.54 3kei n PHE 102 Cb 0.37 -0.24 -0.10 0.00 -1.61 0.00 0.00 39.48 37.90 3kei n PHE 102 CO 0.00 0.00 0.00 1.41 -1.87 0.00 0.00 176.76 176.30 3kei s MET 103 N -3.09 0.48 -0.09 3.97 0.00 -1.25 -4.99 119.30 114.32 3kei s MET 103 Ca 0.06 0.58 -0.02 0.00 0.00 0.00 0.00 55.69 56.30 3kei s MET 103 Cb 0.16 0.23 -0.03 0.00 0.00 0.00 0.00 34.83 35.18 3kei s MET 103 CO 0.81 -0.06 0.02 -1.12 0.00 0.00 0.00 175.02 174.66 3kei s SER 104 N 0.24 5.37 0.30 1.11 0.01 -1.26 -1.36 113.70 118.10 3kei s SER 104 Ca -0.00 0.18 -0.19 0.00 1.31 0.00 0.00 55.95 57.24 3kei s SER 104 Cb -0.03 -1.55 0.05 0.00 0.21 0.00 0.00 66.02 64.70 3kei s SER 104 CO 0.00 0.38 0.83 -1.48 0.41 0.00 0.00 173.24 173.39 3kei s LEU 105 N -0.88 -0.09 0.18 2.44 0.05 -0.73 -4.91 118.68 114.73 3kei s LEU 105 Ca 0.13 -0.83 -0.17 0.00 0.05 0.00 0.00 54.13 53.31 3kei s LEU 105 Cb -0.11 2.61 0.03 0.00 -2.05 0.00 0.00 46.19 46.66 3kei s LEU 105 CO 0.02 -1.39 0.48 -0.83 -0.55 0.00 0.00 176.35 174.09 3kei s GLY 106 N -3.07 -0.10 0.41 -3.48 0.00 -1.26 -1.07 107.32 98.75 3kei s GLY 106 Ca 0.15 -0.21 -0.26 0.00 0.00 0.00 0.00 44.72 44.39 3kei s GLY 106 CO 0.08 -0.30 1.36 -0.42 0.00 0.00 0.00 173.10 173.82 3kei s ILE 107 N -3.86 2.41 0.21 0.90 1.01 -1.26 -0.01 121.20 120.60 3kei s ILE 107 Ca 0.08 0.37 -0.04 0.00 0.00 0.00 0.00 60.65 61.06 3kei s ILE 107 Cb -0.00 -3.22 -0.03 0.00 0.01 0.00 0.00 42.46 39.22 3kei s ILE 107 CO -0.05 0.06 0.23 -0.94 0.00 0.00 0.00 174.94 174.24 3kei s SER 108 N -0.58 0.08 -0.18 3.58 1.04 0.90 -0.02 113.70 118.51 3kei s SER 108 Ca 0.57 -1.26 -0.05 0.00 0.48 0.00 0.00 55.95 55.69 3kei s SER 108 Cb -0.41 0.44 -0.03 0.00 0.10 0.00 0.00 66.02 66.12 3kei s SER 108 CO 0.53 -0.92 -0.01 -0.63 0.98 0.00 0.00 173.24 173.19 3kei s ILE 109 N -4.12 3.99 -0.17 -1.02 1.01 -1.26 -1.90 121.20 117.73 3kei s ILE 109 Ca 0.34 -0.31 -0.06 0.00 0.00 0.00 0.00 60.65 60.63 3kei s ILE 109 Cb 0.05 -2.78 -0.03 0.00 0.01 0.00 0.00 42.46 39.70 3kei s ILE 109 CO 0.11 0.46 0.02 -0.32 0.00 0.00 0.00 174.94 175.20 3kei s MET 110 N 0.69 3.81 0.18 2.79 -2.45 -0.05 -1.82 119.30 122.45 3kei s MET 110 Ca -0.01 -0.44 0.09 0.00 -1.25 0.00 0.00 55.69 54.09 3kei s MET 110 Cb -0.14 -3.08 -0.04 0.00 1.25 0.00 0.00 34.83 32.82 3kei s MET 110 CO 0.02 0.23 -0.18 0.96 1.05 0.00 0.00 175.02 177.10 3kei s ILE 111 N 0.45 1.89 0.22 10.11 -4.36 -0.58 -1.46 121.20 127.48 3kei s ILE 111 Ca -0.00 -2.01 -0.30 0.00 -0.26 0.00 0.00 60.65 58.08 3kei s ILE 111 Cb -0.13 -1.93 -0.09 0.00 1.25 0.00 0.00 42.46 41.56 3kei s ILE 111 CO 0.02 -0.35 1.20 -0.75 0.24 0.00 0.00 174.94 175.30 3kei s LYS 112 N -2.97 4.50 0.09 0.37 2.20 -1.26 -1.50 119.74 121.17 3kei s LYS 112 Ca 0.18 1.91 -0.36 0.00 -0.36 0.00 0.00 55.97 57.34 3kei s LYS 112 Cb -0.05 -3.21 -0.16 0.00 -1.51 0.00 0.00 37.83 32.90 3kei s LYS 112 CO 0.07 -0.05 1.39 1.63 -0.36 0.00 0.00 175.35 178.04 3kei n LYS 113 N 2.05 1.33 0.00 4.03 5.02 0.08 -1.80 118.16 128.88 3kei n LYS 113 Ca 0.03 0.48 0.00 0.00 -2.02 0.00 0.00 58.31 56.80 3kei n LYS 113 Cb 0.44 -2.15 0.00 0.00 -0.02 0.00 0.00 35.03 33.30 3kei n LYS 113 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 3kei n GLY 114 N 2.71 0.11 3.70 0.72 0.00 -1.26 -4.96 105.19 106.20 3kei n GLY 114 Ca 0.18 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.78 3kei n GLY 114 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 3kei s THR 115 N -2.01 2.78 -1.13 2.61 2.01 -0.74 -4.87 115.64 114.28 3kei s THR 115 Ca 0.00 0.33 -0.11 0.00 0.31 0.00 0.00 61.69 62.22 3kei s THR 115 Cb 0.00 -3.21 -0.07 0.00 0.01 0.00 0.00 72.50 69.23 3kei s THR 115 CO 0.00 0.00 2.29 -0.81 -0.69 0.00 0.00 174.62 175.42 3kei n PRO 116 N 5.33 2.46 -3.84 4.92 -0.04 -1.26 -4.77 135.00 137.79 3kei n PRO 116 Ca 0.16 -1.86 -0.16 0.00 -0.04 0.00 0.00 63.50 61.60 3kei n PRO 116 Cb 0.39 -2.74 -0.16 0.00 -0.04 0.00 0.00 33.50 30.96 3kei n PRO 116 CO 0.00 0.00 0.00 0.42 -0.04 0.00 0.00 175.50 175.88 3kei s ILE 117 N 3.40 0.03 0.00 0.52 -1.09 -1.26 -5.00 121.20 117.81 3kei s ILE 117 Ca 0.51 0.15 0.00 0.00 -2.23 0.00 0.00 60.65 59.08 3kei s ILE 117 Cb 0.13 -0.15 0.00 0.00 -1.58 0.00 0.00 42.46 40.87 3kei s ILE 117 CO -0.02 0.10 0.29 -0.62 -1.23 0.00 0.00 174.94 173.46 3kei n GLU 118 N 4.09 -0.28 -3.71 2.79 1.02 -1.26 -4.93 120.64 118.35 3kei n GLU 118 Ca -0.27 -0.29 -0.08 0.00 -0.02 0.00 0.00 57.16 56.51 3kei n GLU 118 Cb 0.51 -0.77 -0.02 0.00 -0.02 0.00 0.00 31.44 31.13 3kei n GLU 118 CO 0.00 0.00 0.00 -1.54 1.18 0.00 0.00 177.13 176.77 3kei s SER 119 N -0.04 -0.34 0.28 1.62 1.04 -1.26 -3.17 113.70 111.83 3kei s SER 119 Ca 0.00 -0.39 0.00 0.00 0.48 0.00 0.00 55.95 56.04 3kei s SER 119 Cb 0.00 0.65 0.40 0.00 0.10 0.00 0.00 66.02 67.17 3kei s SER 119 CO 0.00 -1.16 1.77 0.00 0.98 0.00 0.00 173.24 174.83 3kei h ALA 120 N 2.00 1.15 -0.86 5.32 0.00 -1.95 -2.48 119.26 122.44 3kei h ALA 120 Ca -0.24 -0.28 -0.02 0.00 0.00 0.00 0.00 54.91 54.37 3kei h ALA 120 Cb 1.26 -0.16 -0.04 0.00 0.00 0.00 0.00 17.79 18.85 3kei h ALA 120 CO 0.28 0.54 0.45 0.93 0.00 0.00 0.00 179.25 181.45 3kei h GLU 121 N 0.60 1.21 -0.60 0.00 3.07 -1.96 -1.36 114.58 115.55 3kei h GLU 121 Ca 0.11 -0.15 0.04 0.00 -0.50 0.00 0.00 59.36 58.86 3kei h GLU 121 Cb 0.50 -0.23 -0.04 0.00 -0.84 0.00 0.00 28.75 28.13 3kei h GLU 121 CO 0.03 0.90 0.35 -0.44 -1.40 0.00 0.00 179.01 178.45 3kei h ASP 122 N 1.21 0.55 -0.22 1.42 3.45 -1.87 -2.18 116.42 118.78 3kei h ASP 122 Ca 0.30 0.01 -0.01 0.00 0.43 0.00 0.00 57.03 57.76 3kei h ASP 122 Cb 0.06 -0.10 -0.01 0.00 -0.56 0.00 0.00 39.33 38.72 3kei h ASP 122 CO -0.04 0.38 0.09 -0.07 -1.57 0.00 0.00 179.24 178.02 3kei h LEU 123 N 0.68 0.31 -1.41 1.55 3.38 -1.10 -3.27 115.31 115.44 3kei h LEU 123 Ca 0.25 -0.16 -0.06 0.00 0.09 0.00 0.00 57.88 58.00 3kei h LEU 123 Cb 0.08 -0.08 -0.01 0.00 0.09 0.00 0.00 40.66 40.74 3kei h LEU 123 CO -0.13 0.39 -0.27 0.00 0.09 0.00 0.00 178.44 178.52 3kei h ALA 124 N 0.93 1.27 -0.20 1.53 0.00 -0.98 -2.94 119.26 118.86 3kei h ALA 124 Ca 0.07 -0.25 0.00 0.00 0.00 0.00 0.00 54.91 54.74 3kei h ALA 124 Cb 0.18 -0.04 0.00 0.00 0.00 0.00 0.00 17.79 17.92 3kei h ALA 124 CO -0.01 0.34 0.00 0.36 0.00 0.00 0.00 179.25 179.94 3kei n LYS 125 N -3.80 1.74 -4.25 0.00 2.85 -0.85 -4.92 118.16 108.93 3kei n LYS 125 Ca -0.01 -1.13 -0.14 0.00 -1.05 0.00 0.00 58.31 55.98 3kei n LYS 125 Cb 0.37 -1.37 -0.10 0.00 -0.65 0.00 0.00 35.03 33.27 3kei n LYS 125 CO 0.00 0.00 0.00 1.14 -0.05 0.00 0.00 177.40 178.49 3kei s GLN 126 N -1.74 1.30 0.00 -1.58 1.03 -1.11 -5.07 119.66 112.50 3kei s GLN 126 Ca 0.31 -1.70 0.00 0.00 0.04 0.00 0.00 55.36 54.01 3kei s GLN 126 Cb 0.16 0.03 0.00 0.00 0.03 0.00 0.00 33.01 33.24 3kei s GLN 126 CO 0.24 -0.35 0.09 0.25 -2.54 0.00 0.00 175.29 172.98 3kei n THR 127 N -0.36 0.00 0.13 3.63 -2.24 -1.26 -4.82 114.28 109.35 3kei n THR 127 Ca 0.01 -0.22 -0.01 0.00 -2.27 0.00 0.00 64.05 61.56 3kei n THR 127 Cb 0.66 1.23 0.22 0.00 -2.10 0.00 0.00 70.33 70.34 3kei n THR 127 CO 0.00 0.00 0.00 -0.33 -0.57 0.00 0.00 175.07 174.17 3kei h GLU 128 N 0.00 0.11 -4.98 -0.78 5.08 -1.97 -3.41 114.58 108.63 3kei h GLU 128 Ca 0.00 -0.06 -0.65 0.00 -1.00 0.00 0.00 59.36 57.65 3kei h GLU 128 Cb 0.11 0.00 -0.26 0.00 0.50 0.00 0.00 28.75 29.11 3kei h GLU 128 CO 0.00 0.58 -0.68 0.42 -1.00 0.00 0.00 179.01 178.33 3kei s ILE 129 N -3.92 3.75 0.67 3.13 1.01 -1.26 -4.88 121.20 119.70 3kei s ILE 129 Ca -0.03 -0.36 -0.10 0.00 0.00 0.00 0.00 60.65 60.16 3kei s ILE 129 Cb 0.13 -2.73 0.01 0.00 0.01 0.00 0.00 42.46 39.88 3kei s ILE 129 CO 0.76 0.39 1.05 0.00 0.00 0.00 0.00 174.94 177.14 3kei s ALA 130 N 1.52 3.00 -0.06 9.38 0.00 0.03 -4.89 121.76 130.75 3kei s ALA 130 Ca 0.06 -0.41 -0.30 0.00 0.00 0.00 0.00 51.96 51.31 3kei s ALA 130 Cb -0.15 -2.93 0.08 0.00 0.00 0.00 0.00 23.12 20.12 3kei s ALA 130 CO -0.00 -1.04 0.74 1.52 0.00 0.00 0.00 175.76 176.98 3kei s TYR 131 N -3.27 -0.60 0.00 0.00 1.13 -1.26 -0.67 117.35 112.70 3kei s TYR 131 Ca 0.57 0.98 0.00 0.00 -1.41 0.00 0.00 57.07 57.21 3kei s TYR 131 Cb -0.11 0.43 0.00 0.00 -1.10 0.00 0.00 41.96 41.18 3kei s TYR 131 CO 0.50 -0.57 0.00 0.41 -2.51 0.00 0.00 175.55 173.38 3kei n GLY 132 N 0.78 2.64 3.22 5.49 0.00 -1.11 -4.83 105.19 111.38 3kei n GLY 132 Ca -0.17 -1.16 -0.14 0.00 0.00 0.00 0.00 46.02 44.56 3kei n GLY 132 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 3kei s THR 133 N -2.71 0.00 0.49 2.61 -4.23 -1.23 -0.71 115.64 109.86 3kei s THR 133 Ca 0.00 -1.99 -0.21 0.00 -1.18 0.00 0.00 61.69 58.31 3kei s THR 133 Cb 0.00 -2.50 -0.08 0.00 1.34 0.00 0.00 72.50 71.27 3kei s THR 133 CO 0.00 0.00 1.08 0.54 -0.54 0.00 0.00 174.62 175.70 3kei s VAL 134 N -4.00 3.52 0.67 2.29 0.11 -1.26 -1.64 120.40 120.09 3kei s VAL 134 Ca 0.39 1.00 -0.11 0.00 -2.93 0.00 0.00 61.98 60.32 3kei s VAL 134 Cb 0.06 -3.43 -0.01 0.00 -1.53 0.00 0.00 36.38 31.47 3kei s VAL 134 CO 0.15 -0.15 1.05 -1.81 -3.33 0.00 0.00 175.10 171.01 3kei s ASP 135 N -1.79 5.59 -1.56 3.54 1.01 0.10 -4.29 116.67 119.26 3kei s ASP 135 Ca 0.67 1.60 -0.01 0.00 0.71 0.00 0.00 52.55 55.52 3kei s ASP 135 Cb -0.21 -2.49 0.00 0.00 1.01 0.00 0.00 42.92 41.23 3kei s ASP 135 CO 0.25 -1.30 0.09 -1.20 0.21 0.00 0.00 175.17 173.21 3kei n SER 136 N -2.94 -5.44 -1.94 0.27 7.64 -1.26 -4.77 113.62 105.17 3kei n SER 136 Ca 0.07 -0.06 -0.07 0.00 1.01 0.00 0.00 58.87 59.82 3kei n SER 136 Cb 0.54 -4.46 -0.03 0.00 -1.01 0.00 0.00 64.21 59.25 3kei n SER 136 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 3kei n GLY 137 N -1.09 3.68 0.15 0.23 0.00 -1.26 -1.28 105.19 105.61 3kei n GLY 137 Ca -0.20 -1.81 0.02 0.00 0.00 0.00 0.00 46.02 44.02 3kei n GLY 137 CO 0.00 0.00 0.00 1.48 0.00 0.00 0.00 173.32 174.80 3kei h SER 138 N 0.68 0.00 -0.21 1.61 4.64 -1.93 -3.01 113.55 115.33 3kei h SER 138 Ca -0.09 0.00 -0.07 0.00 -0.47 0.00 0.00 61.79 61.16 3kei h SER 138 Cb 0.42 0.00 -0.00 0.00 -0.31 0.00 0.00 62.40 62.51 3kei h SER 138 CO 0.14 0.55 -0.13 0.74 -0.87 0.00 0.00 176.83 177.25 3kei h THR 139 N 0.00 1.32 -0.38 2.95 2.02 -1.96 0.18 112.91 117.02 3kei h THR 139 Ca -0.01 -1.24 -0.00 0.00 0.77 0.00 0.00 66.41 65.94 3kei h THR 139 Cb 1.22 1.68 -0.02 0.00 -1.74 0.00 0.00 68.15 69.29 3kei h THR 139 CO 0.07 0.38 0.24 0.50 0.37 0.00 0.00 175.52 177.07 3kei h LYS 140 N 0.14 0.52 -0.95 6.66 3.64 -1.74 -2.57 116.57 122.27 3kei h LYS 140 Ca 0.04 -0.04 0.04 0.00 -1.27 0.00 0.00 60.65 59.42 3kei h LYS 140 Cb 0.65 -0.11 -0.06 0.00 -0.41 0.00 0.00 32.23 32.30 3kei h LYS 140 CO 0.04 0.38 0.62 1.49 -2.27 0.00 0.00 179.45 179.70 3kei h GLU 141 N 0.51 1.14 -0.41 1.90 4.57 -1.45 -1.94 114.58 118.90 3kei h GLU 141 Ca 0.14 -0.07 0.08 0.00 -1.18 0.00 0.00 59.36 58.33 3kei h GLU 141 Cb -0.01 -0.26 -0.08 0.00 -0.16 0.00 0.00 28.75 28.25 3kei h GLU 141 CO -0.03 0.75 -0.08 0.35 -1.18 0.00 0.00 179.01 178.83 3kei h PHE 142 N 1.17 -0.18 -0.33 0.92 3.57 -0.55 -0.33 116.94 121.21 3kei h PHE 142 Ca 0.39 0.04 -0.16 0.00 3.53 0.00 0.00 57.97 61.77 3kei h PHE 142 Cb 0.05 0.14 -0.00 0.00 2.79 0.00 0.00 35.95 38.93 3kei h PHE 142 CO -0.01 -0.16 -0.41 0.74 -2.23 0.00 0.00 178.31 176.24 3kei h PHE 143 N 0.02 1.05 -0.94 0.41 0.04 -1.30 -1.56 116.94 114.66 3kei h PHE 143 Ca 0.20 -0.33 0.11 0.00 2.80 0.00 0.00 57.97 60.75 3kei h PHE 143 Cb 0.30 -0.21 -0.08 0.00 2.20 0.00 0.00 35.95 38.16 3kei h PHE 143 CO -0.34 1.15 0.57 -0.09 -0.60 0.00 0.00 178.31 178.99 3kei h ARG 144 N 0.65 0.88 0.00 1.51 2.43 -0.91 -3.13 114.38 115.81 3kei h ARG 144 Ca 0.04 -0.05 0.00 0.00 -0.81 0.00 0.00 59.98 59.16 3kei h ARG 144 Cb 1.01 -0.20 0.00 0.00 -0.42 0.00 0.00 29.97 30.36 3kei h ARG 144 CO 0.10 0.58 -1.02 0.54 -1.51 0.00 0.00 179.97 178.66 3kei n ARG 145 N -4.67 0.17 -1.95 0.20 5.12 -0.18 -4.97 116.66 110.38 3kei n ARG 145 Ca 0.17 -0.02 -0.41 0.00 -1.93 0.00 0.00 57.85 55.66 3kei n ARG 145 Cb 0.34 -1.54 -0.01 0.00 -1.16 0.00 0.00 32.46 30.09 3kei n ARG 145 CO 0.00 0.00 0.00 0.45 -1.93 0.00 0.00 177.63 176.15 3kei s SER 146 N -3.49 6.55 -0.00 0.55 0.15 -0.60 -4.91 113.70 111.94 3kei s SER 146 Ca 0.05 2.86 0.10 0.00 0.70 0.00 0.00 55.95 59.66 3kei s SER 146 Cb 0.15 -2.65 0.29 0.00 -1.71 0.00 0.00 66.02 62.10 3kei s SER 146 CO 0.82 -0.72 1.24 0.29 1.20 0.00 0.00 173.24 176.07 3kei n LYS 147 N 0.92 2.88 -2.95 5.44 4.76 -1.26 -4.58 118.16 123.36 3kei n LYS 147 Ca 0.02 -2.03 -0.41 0.00 -2.87 0.00 0.00 58.31 53.02 3kei n LYS 147 Cb 0.40 -1.26 -0.04 0.00 -1.84 0.00 0.00 35.03 32.28 3kei n LYS 147 CO 0.00 0.00 0.00 0.42 -1.37 0.00 0.00 177.40 176.45 3kei s ILE 148 N -1.03 4.93 0.21 -0.18 1.01 -1.26 -4.95 121.20 119.93 3kei s ILE 148 Ca 0.22 1.52 -0.18 0.00 0.00 0.00 0.00 60.65 62.21 3kei s ILE 148 Cb 0.12 -4.09 0.19 0.00 0.01 0.00 0.00 42.46 38.69 3kei s ILE 148 CO 0.15 0.07 1.58 0.00 0.00 0.00 0.00 174.94 176.74 3kei h ALA 149 N 7.29 0.11 -0.55 9.38 0.00 -1.99 0.16 119.26 133.66 3kei h ALA 149 Ca -0.31 0.22 0.06 0.00 0.00 0.00 0.00 54.91 54.88 3kei h ALA 149 Cb 1.14 0.82 -0.05 0.00 0.00 0.00 0.00 17.79 19.70 3kei h ALA 149 CO 0.81 -0.61 0.25 -0.24 0.00 0.00 0.00 179.25 179.46 3kei h VAL 150 N -0.09 0.89 -0.01 0.00 3.04 -1.98 -1.57 116.25 116.53 3kei h VAL 150 Ca 0.29 -0.16 -0.16 0.00 -1.01 0.00 0.00 66.70 65.66 3kei h VAL 150 Cb 0.57 0.37 -0.02 0.00 -2.01 0.00 0.00 31.29 30.21 3kei h VAL 150 CO -0.79 0.09 -0.73 1.88 -1.01 0.00 0.00 177.57 177.01 3kei h TYR 151 N 0.47 0.11 -0.67 3.17 0.05 -1.56 -2.36 116.97 116.18 3kei h TYR 151 Ca 0.26 -0.05 -0.03 0.00 0.05 0.00 0.00 58.73 58.96 3kei h TYR 151 Cb 0.23 -0.02 -0.03 0.00 1.01 0.00 0.00 36.73 37.92 3kei h TYR 151 CO -0.13 0.77 0.32 0.93 -1.05 0.00 0.00 178.16 179.01 3kei h GLU 152 N 0.05 0.98 -0.46 4.88 5.08 -0.64 -0.52 114.58 123.95 3kei h GLU 152 Ca -0.01 -0.15 -0.01 0.00 -1.00 0.00 0.00 59.36 58.19 3kei h GLU 152 Cb 1.28 -0.17 -0.02 0.00 0.50 0.00 0.00 28.75 30.34 3kei h GLU 152 CO 0.10 0.78 0.26 0.87 -1.00 0.00 0.00 179.01 180.02 3kei h LYS 153 N 0.94 0.63 -0.56 2.33 1.57 -1.11 -0.85 116.57 119.51 3kei h LYS 153 Ca 0.23 -0.06 -0.04 0.00 -1.87 0.00 0.00 60.65 58.91 3kei h LYS 153 Cb 0.13 -0.13 -0.02 0.00 0.08 0.00 0.00 32.23 32.29 3kei h LYS 153 CO -0.03 0.48 0.21 0.52 -0.57 0.00 0.00 179.45 180.06 3kei h MET 154 N 0.60 0.86 -0.40 3.15 2.86 -1.21 -2.27 114.93 118.51 3kei h MET 154 Ca 0.16 -0.17 -0.04 0.00 -2.06 0.00 0.00 59.70 57.59 3kei h MET 154 Cb 0.02 -0.13 -0.02 0.00 0.06 0.00 0.00 31.60 31.53 3kei h MET 154 CO -0.03 0.76 0.08 2.35 1.06 0.00 0.00 176.91 181.13 3kei h TRP 155 N 0.78 0.68 -0.75 -0.22 2.91 -0.92 -0.49 115.95 117.94 3kei h TRP 155 Ca 0.19 -0.09 0.07 0.00 1.13 0.00 0.00 58.89 60.18 3kei h TRP 155 Cb 0.23 -0.19 -0.06 0.00 -0.51 0.00 0.00 29.16 28.63 3kei h TRP 155 CO 0.01 0.66 0.43 1.15 -1.03 0.00 0.00 178.44 179.67 3kei h THR 156 N 0.51 0.98 0.47 2.65 2.02 -1.03 0.12 112.91 118.62 3kei h THR 156 Ca 0.12 -0.27 -0.02 0.00 0.77 0.00 0.00 66.41 67.01 3kei h THR 156 Cb 0.33 0.13 0.00 0.00 -1.74 0.00 0.00 68.15 66.87 3kei h THR 156 CO 0.00 0.14 -0.22 0.22 0.37 0.00 0.00 175.52 176.03 3kei h TYR 157 N 0.79 -0.58 -0.90 3.16 3.20 -1.31 -3.28 116.97 118.04 3kei h TYR 157 Ca 0.34 -0.01 -0.02 0.00 3.14 0.00 0.00 58.73 62.18 3kei h TYR 157 Cb 0.21 0.19 -0.04 0.00 1.54 0.00 0.00 36.73 38.63 3kei h TYR 157 CO -0.06 -0.27 0.50 0.52 -1.64 0.00 0.00 178.16 177.21 3kei h MET 158 N -0.84 1.25 -0.47 1.82 2.86 -0.72 -1.87 114.93 116.95 3kei h MET 158 Ca -0.06 -0.14 0.04 0.00 -2.06 0.00 0.00 59.70 57.47 3kei h MET 158 Cb 0.57 -0.25 -0.03 0.00 0.06 0.00 0.00 31.60 31.96 3kei h MET 158 CO 0.11 0.91 0.32 -0.09 1.06 0.00 0.00 176.91 179.21 3kei h ARG 159 N 1.26 0.48 -0.02 1.72 2.43 -0.89 -2.98 114.38 116.38 3kei h ARG 159 Ca 0.32 -0.03 0.00 0.00 -0.81 0.00 0.00 59.98 59.46 3kei h ARG 159 Cb 0.01 -0.11 0.00 0.00 -0.42 0.00 0.00 29.97 29.45 3kei h ARG 159 CO -0.05 0.32 -0.05 0.43 -1.51 0.00 0.00 179.97 179.11 3kei n SER 160 N -4.48 2.18 -4.74 -3.80 7.64 -1.03 -5.02 113.62 104.36 3kei n SER 160 Ca 0.05 -1.59 -0.41 0.00 1.01 0.00 0.00 58.87 57.93 3kei n SER 160 Cb 0.17 0.08 -0.03 0.00 -1.01 0.00 0.00 64.21 63.42 3kei n SER 160 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 3kei s ALA 161 N -1.39 3.59 -0.03 -0.43 0.00 -0.73 -5.04 121.76 117.73 3kei s ALA 161 Ca 0.17 1.25 0.02 0.00 0.00 0.00 0.00 51.96 53.40 3kei s ALA 161 Cb 0.13 -3.53 0.01 0.00 0.00 0.00 0.00 23.12 19.73 3kei s ALA 161 CO 0.23 -0.67 -0.07 -1.21 0.00 0.00 0.00 175.76 174.03 3kei s GLU 162 N -0.30 0.88 1.02 0.00 0.41 -1.26 -3.63 118.70 115.81 3kei s GLU 162 Ca 0.58 -0.22 -0.12 0.00 -0.41 0.00 0.00 54.97 54.80 3kei s GLU 162 Cb -0.40 -0.83 0.20 0.00 -1.78 0.00 0.00 34.13 31.32 3kei s GLU 162 CO 0.42 0.04 1.07 -1.25 -0.49 0.00 0.00 175.26 175.05 3kei s PRO 163 N 0.42 0.22 0.23 0.39 0.04 -1.26 -5.07 135.00 129.97 3kei s PRO 163 Ca -0.06 0.87 -0.32 0.00 0.04 0.00 0.00 61.00 61.53 3kei s PRO 163 Cb -0.10 -1.68 -0.13 0.00 0.04 0.00 0.00 34.50 32.62 3kei s PRO 163 CO 0.00 -2.97 1.44 0.45 0.04 0.00 0.00 177.00 175.97 3kei n SER 164 N -4.39 2.81 -0.18 6.66 2.88 -1.24 -4.90 113.62 115.26 3kei n SER 164 Ca 0.06 1.13 0.12 0.00 -1.33 0.00 0.00 58.87 58.85 3kei n SER 164 Cb 0.55 -1.43 0.23 0.00 -0.75 0.00 0.00 64.21 62.81 3kei n SER 164 CO 0.00 0.00 0.00 1.33 -1.23 0.00 0.00 175.04 175.14 3kei n VAL 165 N 2.16 0.00 -3.12 2.46 0.24 -1.26 -4.88 118.33 113.93 3kei n VAL 165 Ca 0.12 -0.09 -0.39 0.00 -2.04 0.00 0.00 64.34 61.94 3kei n VAL 165 Cb 0.31 0.54 -0.05 0.00 -1.47 0.00 0.00 33.84 33.17 3kei n VAL 165 CO 0.00 0.00 0.00 -0.36 -2.14 0.00 0.00 176.83 174.33 3kei s PHE 166 N -2.71 3.63 0.18 6.34 0.08 -1.26 -3.50 117.98 120.74 3kei s PHE 166 Ca 0.18 1.23 0.06 0.00 0.12 0.00 0.00 56.93 58.52 3kei s PHE 166 Cb 0.18 -2.71 -0.04 0.00 -0.57 0.00 0.00 43.02 39.88 3kei s PHE 166 CO 0.62 0.21 0.07 0.95 -0.10 0.00 0.00 175.22 176.98 3kei s THR 167 N 0.32 4.09 0.24 0.64 -4.23 -0.65 -4.87 115.64 111.17 3kei s THR 167 Ca 0.34 -1.28 0.02 0.00 -1.18 0.00 0.00 61.69 59.59 3kei s THR 167 Cb -0.18 -3.08 -0.02 0.00 1.34 0.00 0.00 72.50 70.56 3kei s THR 167 CO 0.18 -0.13 1.59 0.03 -0.54 0.00 0.00 174.62 175.74 3kei h ARG 168 N 2.49 0.36 -4.73 3.99 3.08 -1.94 0.31 114.38 117.93 3kei h ARG 168 Ca -0.47 -0.21 -0.25 0.00 0.07 0.00 0.00 59.98 59.11 3kei h ARG 168 Cb 1.20 0.02 -0.15 0.00 0.08 0.00 0.00 29.97 31.13 3kei h ARG 168 CO 0.61 0.79 -0.68 0.95 -1.07 0.00 0.00 179.97 180.56 3kei s THR 169 N -3.98 0.70 0.15 2.04 -4.23 -1.26 -4.58 115.64 104.49 3kei s THR 169 Ca -0.05 -1.96 -0.16 0.00 -1.18 0.00 0.00 61.69 58.34 3kei s THR 169 Cb 0.12 -1.86 0.01 0.00 1.34 0.00 0.00 72.50 72.11 3kei s THR 169 CO 0.80 -0.71 1.81 0.74 -0.54 0.00 0.00 174.62 176.73 3kei h THR 170 N 2.85 1.09 -0.98 3.99 2.02 -1.95 -2.82 112.91 117.11 3kei h THR 170 Ca -0.36 -0.18 0.12 0.00 0.77 0.00 0.00 66.41 66.76 3kei h THR 170 Cb 1.18 0.52 -0.08 0.00 -1.74 0.00 0.00 68.15 68.03 3kei h THR 170 CO 0.64 0.10 0.62 0.00 0.37 0.00 0.00 175.52 177.25 3kei h ALA 171 N 1.15 1.58 -0.60 6.16 0.00 -1.97 -0.85 119.26 124.73 3kei h ALA 171 Ca 0.15 0.02 -0.07 0.00 0.00 0.00 0.00 54.91 55.01 3kei h ALA 171 Cb -0.05 -0.19 -0.02 0.00 0.00 0.00 0.00 17.79 17.52 3kei h ALA 171 CO -0.04 0.18 0.08 0.93 0.00 0.00 0.00 179.25 180.40 3kei h GLU 172 N 0.94 0.97 -0.34 0.00 5.08 -1.93 -0.75 114.58 118.55 3kei h GLU 172 Ca 0.49 -0.25 -0.03 0.00 -1.00 0.00 0.00 59.36 58.57 3kei h GLU 172 Cb 0.53 -0.12 -0.01 0.00 0.50 0.00 0.00 28.75 29.64 3kei h GLU 172 CO -0.25 0.91 0.08 0.78 -1.00 0.00 0.00 179.01 179.52 3kei h GLY 173 N 1.02 0.58 0.91 -3.84 0.00 -0.98 -1.72 103.07 99.04 3kei h GLY 173 Ca 0.18 -0.37 0.01 0.00 0.00 0.00 0.00 47.33 47.16 3kei h GLY 173 CO 0.01 0.34 0.13 -2.08 0.00 0.00 0.00 176.54 174.95 3kei h VAL 174 N 0.39 1.01 -0.85 4.60 2.07 -1.06 -1.52 116.25 120.89 3kei h VAL 174 Ca 0.11 -0.10 0.02 0.00 0.82 0.00 0.00 66.70 67.55 3kei h VAL 174 Cb 0.30 0.70 -0.05 0.00 -1.52 0.00 0.00 31.29 30.73 3kei h VAL 174 CO 0.00 0.05 0.56 0.00 0.02 0.00 0.00 177.57 178.21 3kei h ALA 175 N 1.12 1.43 -0.33 1.67 0.00 -1.09 -0.67 119.26 121.39 3kei h ALA 175 Ca 0.10 -0.05 -0.03 0.00 0.00 0.00 0.00 54.91 54.93 3kei h ALA 175 Cb 0.01 -0.32 -0.01 0.00 0.00 0.00 0.00 17.79 17.47 3kei h ALA 175 CO -0.06 0.50 0.10 -0.09 0.00 0.00 0.00 179.25 179.71 3kei h ARG 176 N 1.11 0.52 -0.15 0.00 2.43 -0.95 -1.36 114.38 115.98 3kei h ARG 176 Ca 0.33 -0.11 0.04 0.00 -0.81 0.00 0.00 59.98 59.43 3kei h ARG 176 Cb -0.05 -0.07 -0.04 0.00 -0.42 0.00 0.00 29.97 29.38 3kei h ARG 176 CO -0.08 0.55 -0.12 0.28 -1.51 0.00 0.00 179.97 179.08 3kei h VAL 177 N 0.38 0.65 -0.38 0.20 2.07 -0.76 -2.59 116.25 115.83 3kei h VAL 177 Ca 0.11 0.00 -0.01 0.00 0.82 0.00 0.00 66.70 67.62 3kei h VAL 177 Cb 0.25 0.65 -0.02 0.00 -1.52 0.00 0.00 31.29 30.65 3kei h VAL 177 CO -0.00 0.00 0.19 0.03 0.02 0.00 0.00 177.57 177.80 3kei h ARG 178 N -0.14 0.52 -0.01 1.57 3.08 -0.85 -2.96 114.38 115.60 3kei h ARG 178 Ca 0.10 -0.05 0.00 0.00 0.07 0.00 0.00 59.98 60.09 3kei h ARG 178 Cb 0.28 -0.11 0.00 0.00 0.08 0.00 0.00 29.97 30.22 3kei h ARG 178 CO -0.23 0.41 -0.44 1.63 -1.07 0.00 0.00 179.97 180.26 3kei n LYS 179 N -4.42 0.71 -0.43 0.04 5.02 -0.54 -4.46 118.16 114.08 3kei n LYS 179 Ca 0.03 -0.50 0.11 0.00 -2.02 0.00 0.00 58.31 55.93 3kei n LYS 179 Cb 0.11 -1.49 0.33 0.00 -0.02 0.00 0.00 35.03 33.97 3kei n LYS 179 CO 0.00 0.00 0.00 0.43 -0.52 0.00 0.00 177.40 177.31 3kei n SER 180 N -0.71 4.17 -3.58 4.39 7.64 -0.98 -4.96 113.62 119.58 3kei n SER 180 Ca 0.09 -2.11 -0.26 0.00 1.01 0.00 0.00 58.87 57.61 3kei n SER 180 Cb 0.38 -0.51 0.04 0.00 -1.01 0.00 0.00 64.21 63.11 3kei n SER 180 CO 0.00 0.00 0.00 0.29 -3.01 0.00 0.00 175.04 172.32 3kei n LYS 181 N 1.53 -5.99 -0.85 1.43 5.02 -1.26 -1.18 118.16 116.86 3kei n LYS 181 Ca 0.25 0.72 0.00 0.00 -2.02 0.00 0.00 58.31 57.26 3kei n LYS 181 Cb 0.69 -5.65 0.00 0.00 -0.02 0.00 0.00 35.03 30.05 3kei n LYS 181 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 3kei n GLY 182 N -1.71 0.86 1.06 0.72 0.00 -1.26 -4.91 105.19 99.94 3kei n GLY 182 Ca -0.00 0.00 0.11 0.00 0.00 0.00 0.00 46.02 46.13 3kei n GLY 182 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 3kei n LYS 183 N -2.16 2.38 -4.03 1.61 4.76 -0.32 -4.79 118.16 115.60 3kei n LYS 183 Ca 0.00 -2.09 -0.17 0.00 -2.87 0.00 0.00 58.31 53.18 3kei n LYS 183 Cb 0.00 -1.49 -0.16 0.00 -1.84 0.00 0.00 35.03 31.54 3kei n LYS 183 CO 0.00 0.00 0.00 0.12 -1.37 0.00 0.00 177.40 176.15 3kei s PHE 184 N -1.51 0.44 0.20 2.13 2.19 -1.26 -0.79 117.98 119.38 3kei s PHE 184 Ca 0.38 -0.07 0.10 0.00 0.33 0.00 0.00 56.93 57.67 3kei s PHE 184 Cb 0.22 -0.44 -0.04 0.00 -1.31 0.00 0.00 43.02 41.44 3kei s PHE 184 CO 0.30 -0.12 -0.15 0.00 1.83 0.00 0.00 175.22 177.08 3kei s ALA 185 N 0.75 2.79 -0.06 11.12 0.00 0.16 -4.53 121.76 131.99 3kei s ALA 185 Ca -0.08 -1.58 0.03 0.00 0.00 0.00 0.00 51.96 50.33 3kei s ALA 185 Cb -0.11 -0.55 0.00 0.00 0.00 0.00 0.00 23.12 22.46 3kei s ALA 185 CO -0.01 0.43 -0.15 0.12 0.00 0.00 0.00 175.76 176.15 3kei s PHE 186 N -1.79 1.63 -0.29 0.00 5.99 -0.53 -2.75 117.98 120.24 3kei s PHE 186 Ca 0.24 -0.55 -0.15 0.00 0.00 0.00 0.00 56.93 56.48 3kei s PHE 186 Cb -0.08 -1.14 -0.03 0.00 0.00 0.00 0.00 43.02 41.77 3kei s PHE 186 CO 0.13 -0.23 0.35 -0.51 -0.00 0.00 0.00 175.22 174.96 3kei s LEU 187 N 0.34 4.12 0.20 6.12 1.43 0.11 -0.87 118.68 130.13 3kei s LEU 187 Ca -0.10 0.14 -0.16 0.00 -1.03 0.00 0.00 54.13 52.99 3kei s LEU 187 Cb -0.14 -2.37 0.02 0.00 0.03 0.00 0.00 46.19 43.73 3kei s LEU 187 CO 0.03 -0.20 0.49 -1.48 0.23 0.00 0.00 176.35 175.42 3kei s LEU 188 N 2.03 0.23 0.43 1.79 2.34 -0.80 -4.37 118.68 120.33 3kei s LEU 188 Ca 0.13 -0.58 -0.25 0.00 0.06 0.00 0.00 54.13 53.49 3kei s LEU 188 Cb -0.16 1.98 -0.08 0.00 -0.56 0.00 0.00 46.19 47.37 3kei s LEU 188 CO 0.10 -1.04 1.23 -1.61 -1.06 0.00 0.00 176.35 173.97 3kei s GLU 189 N -3.90 3.88 0.36 1.48 2.02 -1.26 -0.07 118.70 121.20 3kei s GLU 189 Ca 0.12 1.96 0.11 0.00 0.02 0.00 0.00 54.97 57.17 3kei s GLU 189 Cb -0.00 -2.60 0.88 0.00 0.10 0.00 0.00 34.13 32.50 3kei s GLU 189 CO -0.01 -0.50 1.83 0.66 0.02 0.00 0.00 175.26 177.26 3kei h SER 190 N 2.41 0.62 0.14 -0.19 4.64 -0.73 -1.84 113.55 118.61 3kei h SER 190 Ca -0.49 0.06 0.01 0.00 -0.47 0.00 0.00 61.79 60.90 3kei h SER 190 Cb 1.25 -0.06 -0.02 0.00 -0.31 0.00 0.00 62.40 63.26 3kei h SER 190 CO 0.62 0.26 -0.21 0.71 -0.87 0.00 0.00 176.83 177.34 3kei h THR 191 N 0.63 0.54 -0.72 2.95 1.35 -1.91 0.14 112.91 115.89 3kei h THR 191 Ca 0.51 0.00 -0.04 0.00 -0.55 0.00 0.00 66.41 66.32 3kei h THR 191 Cb 0.95 0.54 -0.03 0.00 -1.73 0.00 0.00 68.15 67.87 3kei h THR 191 CO -0.26 0.00 0.28 0.24 -0.25 0.00 0.00 175.52 175.53 3kei h MET 192 N -0.41 1.08 0.09 4.72 2.86 -1.72 -2.22 114.93 119.33 3kei h MET 192 Ca 0.02 -0.20 -0.00 0.00 -2.06 0.00 0.00 59.70 57.45 3kei h MET 192 Cb 0.41 -0.17 -0.00 0.00 0.06 0.00 0.00 31.60 31.90 3kei h MET 192 CO -0.09 0.89 -0.05 -0.97 1.06 0.00 0.00 176.91 177.75 3kei h ASN 193 N 1.03 -0.12 -0.51 1.22 -0.73 -1.18 -1.91 115.58 113.38 3kei h ASN 193 Ca 0.24 0.01 -0.01 0.00 1.87 0.00 0.00 56.30 58.41 3kei h ASN 193 Cb 0.22 0.04 -0.03 0.00 0.27 0.00 0.00 38.32 38.82 3kei h ASN 193 CO -0.02 -0.08 0.29 -0.33 -0.37 0.00 0.00 177.43 176.92 3kei h GLU 194 N -0.13 0.73 0.38 6.67 5.08 -0.68 -1.79 114.58 124.83 3kei h GLU 194 Ca -0.01 -0.07 -0.02 0.00 -1.00 0.00 0.00 59.36 58.26 3kei h GLU 194 Cb 0.11 -0.15 0.00 0.00 0.50 0.00 0.00 28.75 29.21 3kei h GLU 194 CO 0.01 0.54 -0.18 -0.92 -1.00 0.00 0.00 179.01 177.45 3kei h TYR 195 N 0.74 -0.47 -0.98 4.33 3.20 -1.21 -3.22 116.97 119.35 3kei h TYR 195 Ca 0.19 -0.01 0.11 0.00 3.14 0.00 0.00 58.73 62.16 3kei h TYR 195 Cb 0.02 0.16 -0.08 0.00 1.54 0.00 0.00 36.73 38.37 3kei h TYR 195 CO 0.00 -0.18 0.61 1.15 -1.64 0.00 0.00 178.16 178.10 3kei h THR 196 N -0.74 0.93 -0.16 1.81 2.02 -1.12 -1.14 112.91 114.53 3kei h THR 196 Ca -0.05 -0.34 0.05 0.00 0.77 0.00 0.00 66.41 66.84 3kei h THR 196 Cb 0.51 -0.13 -0.01 0.00 -1.74 0.00 0.00 68.15 66.78 3kei h THR 196 CO 0.09 0.18 0.22 -0.08 0.37 0.00 0.00 175.52 176.29 3kei h GLU 197 N 0.98 0.00 -0.47 6.66 4.81 -1.34 -1.45 114.58 123.77 3kei h GLU 197 Ca 0.48 0.00 0.00 0.00 -0.13 0.00 0.00 59.36 59.71 3kei h GLU 197 Cb 0.44 0.00 0.00 0.00 0.63 0.00 0.00 28.75 29.82 3kei h GLU 197 CO -0.26 0.00 0.00 1.04 -0.73 0.00 0.00 179.01 179.06 3kei n GLN 198 N -3.58 3.80 -5.04 1.92 1.13 -0.43 -4.80 117.38 110.39 3kei n GLN 198 Ca 0.01 -2.90 -0.32 0.00 -1.94 0.00 0.00 57.00 51.85 3kei n GLN 198 Cb 0.33 -1.96 -0.15 0.00 0.11 0.00 0.00 30.24 28.58 3kei n GLN 198 CO 0.00 0.00 0.00 1.03 -1.44 0.00 0.00 177.06 176.65 3kei s ARG 199 N -2.42 2.55 0.47 -1.09 1.81 -0.55 -0.47 118.95 119.25 3kei s ARG 199 Ca 0.47 -0.78 -0.24 0.00 -1.72 0.00 0.00 55.73 53.46 3kei s ARG 199 Cb 0.35 -2.30 -0.08 0.00 -0.45 0.00 0.00 34.95 32.46 3kei s ARG 199 CO 0.16 0.51 1.19 1.63 -0.68 0.00 0.00 175.30 178.11 3kei n LYS 200 N 2.63 1.64 -0.47 3.54 5.02 -1.26 -1.26 118.16 128.00 3kei n LYS 200 Ca -0.17 0.59 -0.05 0.00 -2.02 0.00 0.00 58.31 56.66 3kei n LYS 200 Cb 0.52 -2.32 0.12 0.00 -0.02 0.00 0.00 35.03 33.32 3kei n LYS 200 CO 0.00 0.00 0.00 -0.35 -0.52 0.00 0.00 177.40 176.53 3kei n PRO 201 N -0.26 2.01 -3.73 1.97 -0.04 -1.26 -4.96 135.00 128.73 3kei n PRO 201 Ca 0.09 -1.31 -0.25 0.00 -0.04 0.00 0.00 63.50 61.99 3kei n PRO 201 Cb 0.41 -1.64 0.05 0.00 -0.04 0.00 0.00 33.50 32.28 3kei n PRO 201 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 3kei n ASP 203 N -2.98 2.02 -4.50 0.00 5.75 -1.26 -4.99 116.55 110.59 3kei n ASP 203 Ca -0.12 -1.54 -0.24 0.00 -0.01 0.00 0.00 54.79 52.88 3kei n ASP 203 Cb 0.60 -0.05 -0.10 0.00 -1.03 0.00 0.00 41.12 40.55 3kei n ASP 203 CO 0.00 0.00 0.00 0.42 -0.11 0.00 0.00 177.20 177.51 3kei s THR 204 N -0.84 2.53 0.08 2.12 -4.23 -1.26 -0.74 115.64 113.31 3kei s THR 204 Ca 0.13 -2.32 -0.20 0.00 -1.18 0.00 0.00 61.69 58.11 3kei s THR 204 Cb 0.08 -2.41 0.05 0.00 1.34 0.00 0.00 72.50 71.56 3kei s THR 204 CO 0.12 -0.36 0.49 0.00 -0.54 0.00 0.00 174.62 174.33 3kei s MET 205 N -3.54 1.07 0.05 3.99 0.23 -0.56 -4.62 119.30 115.91 3kei s MET 205 Ca 0.31 -0.41 -0.28 0.00 -1.03 0.00 0.00 55.69 54.28 3kei s MET 205 Cb -0.04 0.48 -0.05 0.00 -1.53 0.00 0.00 34.83 33.70 3kei s MET 205 CO 0.16 -0.41 0.88 0.21 -2.03 0.00 0.00 175.02 173.83 3kei s LYS 206 N -3.01 4.59 0.03 3.16 2.20 -1.26 -1.53 119.74 123.91 3kei s LYS 206 Ca -0.02 1.28 0.07 0.00 -0.36 0.00 0.00 55.97 56.94 3kei s LYS 206 Cb -0.00 -3.40 -0.02 0.00 -1.51 0.00 0.00 37.83 32.90 3kei s LYS 206 CO -0.06 0.17 -0.20 0.14 -0.36 0.00 0.00 175.35 175.03 3kei s VAL 207 N 0.26 1.62 0.04 4.02 -7.23 -0.76 -5.00 120.40 113.35 3kei s VAL 207 Ca 0.45 -1.09 0.00 0.00 -1.81 0.00 0.00 61.98 59.53 3kei s VAL 207 Cb -0.21 -1.39 0.00 0.00 0.56 0.00 0.00 36.38 35.33 3kei s VAL 207 CO 0.26 0.27 0.00 0.61 -0.31 0.00 0.00 175.10 175.93 3kei n GLY 208 N 2.07 -2.15 3.95 2.32 0.00 -1.19 -4.08 105.19 106.11 3kei n GLY 208 Ca -0.17 -1.45 -0.24 0.00 0.00 0.00 0.00 46.02 44.16 3kei n GLY 208 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 3kei s GLY 209 N -2.57 1.75 0.50 -0.02 0.00 -1.26 -4.94 107.32 100.78 3kei s GLY 209 Ca 0.00 -1.12 -0.22 0.00 0.00 0.00 0.00 44.72 43.38 3kei s GLY 209 CO 0.00 -0.75 1.17 -1.31 0.00 0.00 0.00 173.10 172.22 3kei s ASN 210 N -4.50 5.92 0.35 1.64 0.01 -1.26 -4.80 114.94 112.30 3kei s ASN 210 Ca 0.60 2.32 0.19 0.00 -0.71 0.00 0.00 52.86 55.25 3kei s ASN 210 Cb -0.10 -2.60 0.34 0.00 0.41 0.00 0.00 41.25 39.29 3kei s ASN 210 CO 0.42 -1.09 1.57 -0.07 -1.51 0.00 0.00 177.10 176.43 3kei h LEU 211 N 1.72 0.00 0.00 0.60 3.38 -0.75 -3.48 115.31 116.78 3kei h LEU 211 Ca -0.50 0.00 -0.22 0.00 0.09 0.00 0.00 57.88 57.25 3kei h LEU 211 Cb 1.26 0.00 -0.05 0.00 0.09 0.00 0.00 40.66 41.96 3kei h LEU 211 CO 0.59 0.35 -0.09 -0.90 0.09 0.00 0.00 178.44 178.48 3kei n ASP 212 N -3.25 -1.29 -3.73 -0.43 5.68 -1.26 -4.93 116.55 107.34 3kei n ASP 212 Ca 0.02 -2.63 -0.23 0.00 -0.50 0.00 0.00 54.79 51.45 3kei n ASP 212 Cb 0.62 2.36 -0.17 0.00 -1.14 0.00 0.00 41.12 42.78 3kei n ASP 212 CO 0.00 0.00 0.00 -0.44 -1.33 0.00 0.00 177.20 175.43 3kei s SER 213 N -2.89 1.75 0.00 -1.12 0.01 -1.26 -4.16 113.70 106.04 3kei s SER 213 Ca 0.24 -0.21 0.00 0.00 1.31 0.00 0.00 55.95 57.30 3kei s SER 213 Cb -0.01 -0.38 0.00 0.00 0.21 0.00 0.00 66.02 65.84 3kei s SER 213 CO 0.17 -0.24 0.00 2.29 0.41 0.00 0.00 173.24 175.88 3kei n LYS 214 N 5.18 0.00 -3.65 12.44 2.85 -0.23 -5.02 118.16 129.73 3kei n LYS 214 Ca -0.06 0.00 -0.11 0.00 -1.05 0.00 0.00 58.31 57.09 3kei n LYS 214 Cb 0.49 0.00 -0.05 0.00 -0.65 0.00 0.00 35.03 34.82 3kei n LYS 214 CO 0.00 0.00 0.00 0.20 -0.05 0.00 0.00 177.40 177.55 3kei s GLY 215 N -0.25 -0.26 0.01 2.58 0.00 -1.26 -1.78 107.32 106.36 3kei s GLY 215 Ca 0.00 0.04 -0.13 0.00 0.00 0.00 0.00 44.72 44.62 3kei s GLY 215 CO 0.00 -0.22 0.40 -0.19 0.00 0.00 0.00 173.10 173.09 3kei s TYR 216 N -3.40 3.69 0.13 1.90 2.02 -0.46 -1.27 117.35 119.96 3kei s TYR 216 Ca 0.00 0.93 0.06 0.00 -0.37 0.00 0.00 57.07 57.70 3kei s TYR 216 Cb 0.01 -2.25 -0.04 0.00 -0.40 0.00 0.00 41.96 39.29 3kei s TYR 216 CO -0.09 0.62 -0.15 0.20 -1.57 0.00 0.00 175.55 174.56 3kei s GLY 217 N -1.22 1.14 -0.17 0.71 0.00 -0.84 -0.80 107.32 106.14 3kei s GLY 217 Ca 0.25 -1.32 -0.28 0.00 0.00 0.00 0.00 44.72 43.37 3kei s GLY 217 CO 0.14 -1.37 0.98 0.14 0.00 0.00 0.00 173.10 172.99 3kei s VAL 218 N -2.05 4.76 0.02 1.40 1.01 -1.26 -4.54 120.40 119.74 3kei s VAL 218 Ca 0.10 1.95 0.01 0.00 0.00 0.00 0.00 61.98 64.04 3kei s VAL 218 Cb -0.05 -4.28 -0.04 0.00 0.00 0.00 0.00 36.38 32.01 3kei s VAL 218 CO 0.04 -0.06 0.07 0.00 0.00 0.00 0.00 175.10 175.14 3kei s ALA 219 N 2.51 3.54 0.07 5.51 0.00 -0.64 -0.97 121.76 131.78 3kei s ALA 219 Ca 0.45 -0.92 0.02 0.00 0.00 0.00 0.00 51.96 51.51 3kei s ALA 219 Cb -0.17 -1.51 -0.03 0.00 0.00 0.00 0.00 23.12 21.41 3kei s ALA 219 CO 0.12 0.70 -0.08 0.95 0.00 0.00 0.00 175.76 177.45 3kei s THR 220 N -1.23 0.66 0.61 0.00 -4.23 -0.62 -0.45 115.64 110.38 3kei s THR 220 Ca 0.24 -1.50 -0.17 0.00 -1.18 0.00 0.00 61.69 59.08 3kei s THR 220 Cb -0.12 -1.15 -0.03 0.00 1.34 0.00 0.00 72.50 72.55 3kei s THR 220 CO 0.15 -0.60 1.12 -2.84 -0.54 0.00 0.00 174.62 171.91 3kei s PRO 221 N -2.66 3.03 0.25 3.99 0.02 -1.26 -1.17 135.00 137.20 3kei s PRO 221 Ca 0.01 1.50 -0.31 0.00 0.02 0.00 0.00 61.00 62.22 3kei s PRO 221 Cb -0.03 -1.97 -0.14 0.00 0.02 0.00 0.00 34.50 32.38 3kei s PRO 221 CO -0.02 -1.09 1.28 1.63 -0.33 0.00 0.00 177.00 178.48 3kei n LYS 222 N -1.93 1.76 -0.54 5.54 4.76 -1.26 -2.10 118.16 124.39 3kei n LYS 222 Ca 0.11 0.63 0.00 0.00 -2.87 0.00 0.00 58.31 56.18 3kei n LYS 222 Cb 0.51 -2.20 0.00 0.00 -1.84 0.00 0.00 35.03 31.51 3kei n LYS 222 CO 0.00 0.00 0.00 0.41 -1.37 0.00 0.00 177.40 176.44 3kei n GLY 223 N 1.81 0.99 3.74 0.72 0.00 -1.26 -5.03 105.19 106.16 3kei n GLY 223 Ca 0.11 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.72 3kei n GLY 223 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 3kei s SER 224 N -3.04 6.62 0.06 1.61 0.15 -0.89 -4.90 113.70 113.30 3kei s SER 224 Ca 0.00 2.68 0.17 0.00 0.70 0.00 0.00 55.95 59.49 3kei s SER 224 Cb 0.00 -2.62 0.71 0.00 -1.71 0.00 0.00 66.02 62.40 3kei s SER 224 CO 0.00 -0.74 1.53 -1.54 1.20 0.00 0.00 173.24 173.68 3kei n SER 225 N 2.66 0.15 0.07 5.45 3.41 -1.26 -2.75 113.62 121.34 3kei n SER 225 Ca 0.08 0.54 0.13 0.00 -0.26 0.00 0.00 58.87 59.35 3kei n SER 225 Cb 0.40 -0.57 0.30 0.00 -0.26 0.00 0.00 64.21 64.08 3kei n SER 225 CO 0.00 0.00 0.00 0.18 -0.16 0.00 0.00 175.04 175.06 3kei n LEU 226 N -1.66 0.67 -0.04 1.04 4.77 -1.26 -4.43 117.00 116.09 3kei n LEU 226 Ca 0.03 0.36 -0.14 0.00 -0.03 0.00 0.00 56.01 56.23 3kei n LEU 226 Cb 0.19 -0.26 -0.09 0.00 -2.33 0.00 0.00 43.42 40.92 3kei n LEU 226 CO 0.15 -0.08 0.50 -0.09 -1.33 0.00 0.00 177.39 176.54 3kei h ARG 227 N 0.00 -0.50 0.09 3.23 2.43 -1.89 -0.07 114.38 117.67 3kei h ARG 227 Ca 0.00 0.03 -0.00 0.00 -0.81 0.00 0.00 59.98 59.20 3kei h ARG 227 Cb 0.70 0.11 0.00 0.00 -0.42 0.00 0.00 29.97 30.37 3kei h ARG 227 CO 0.00 -0.33 -0.04 1.15 -1.51 0.00 0.00 179.97 179.23 3kei h THR 228 N -0.52 1.11 -0.91 0.20 2.02 -1.84 -2.00 112.91 110.98 3kei h THR 228 Ca 0.04 -0.80 0.16 0.00 0.77 0.00 0.00 66.41 66.58 3kei h THR 228 Cb 0.63 1.62 -0.10 0.00 -1.74 0.00 0.00 68.15 68.56 3kei h THR 228 CO -0.45 0.19 0.50 -0.65 0.37 0.00 0.00 175.52 175.48 3kei h PRO 229 N -0.49 0.65 -0.39 6.66 0.11 -1.78 -1.19 132.00 135.55 3kei h PRO 229 Ca -0.01 -0.04 -0.02 0.00 0.11 0.00 0.00 66.00 66.04 3kei h PRO 229 Cb 0.41 -0.15 -0.02 0.00 0.11 0.00 0.00 31.00 31.36 3kei h PRO 229 CO 0.02 0.43 0.18 0.28 -0.21 0.00 0.00 178.00 178.70 3kei h VAL 230 N 0.67 1.18 -0.15 3.15 2.07 -0.91 -0.58 116.25 121.69 3kei h VAL 230 Ca 0.51 -0.53 -0.00 0.00 0.82 0.00 0.00 66.70 67.49 3kei h VAL 230 Cb 0.75 0.80 -0.01 0.00 -1.52 0.00 0.00 31.29 31.32 3kei h VAL 230 CO -0.38 0.20 0.09 -1.13 0.02 0.00 0.00 177.57 176.37 3kei h ASN 231 N 0.49 0.18 -0.64 0.57 -1.24 -0.71 -1.26 115.58 112.97 3kei h ASN 231 Ca 0.13 -0.04 -0.05 0.00 0.71 0.00 0.00 56.30 57.05 3kei h ASN 231 Cb 0.15 -0.04 -0.03 0.00 0.73 0.00 0.00 38.32 39.12 3kei h ASN 231 CO -0.01 0.16 0.20 -0.07 -1.29 0.00 0.00 177.43 176.42 3kei h LEU 232 N 0.17 0.95 -0.44 0.34 3.38 -1.19 -2.35 115.31 116.18 3kei h LEU 232 Ca 0.05 -0.17 0.00 0.00 0.09 0.00 0.00 57.88 57.85 3kei h LEU 232 Cb 0.02 -0.25 -0.02 0.00 0.09 0.00 0.00 40.66 40.50 3kei h LEU 232 CO -0.01 0.89 0.28 0.00 0.09 0.00 0.00 178.44 179.69 3kei h ALA 233 N 1.23 0.56 -0.56 1.53 0.00 -0.83 -0.59 119.26 120.61 3kei h ALA 233 Ca 0.22 -0.05 0.01 0.00 0.00 0.00 0.00 54.91 55.09 3kei h ALA 233 Cb 0.28 -0.18 -0.03 0.00 0.00 0.00 0.00 17.79 17.87 3kei h ALA 233 CO -0.01 0.03 0.37 0.28 0.00 0.00 0.00 179.25 179.93 3kei h VAL 234 N 0.59 1.14 -0.45 0.00 2.07 -1.04 -1.23 116.25 117.34 3kei h VAL 234 Ca 0.16 -0.26 -0.09 0.00 0.82 0.00 0.00 66.70 67.33 3kei h VAL 234 Cb -0.03 0.32 -0.02 0.00 -1.52 0.00 0.00 31.29 30.04 3kei h VAL 234 CO -0.03 0.14 -0.08 -0.07 0.02 0.00 0.00 177.57 177.55 3kei h LEU 235 N 0.75 0.76 -0.38 2.57 3.38 -1.20 0.45 115.31 121.65 3kei h LEU 235 Ca 0.20 -0.22 -0.02 0.00 0.09 0.00 0.00 57.88 57.94 3kei h LEU 235 Cb -0.09 -0.21 -0.02 0.00 0.09 0.00 0.00 40.66 40.44 3kei h LEU 235 CO -0.05 0.88 0.15 0.11 0.09 0.00 0.00 178.44 179.62 3kei h LYS 236 N 0.71 0.57 -0.59 1.13 1.57 -0.86 -0.53 116.57 118.57 3kei h LYS 236 Ca 0.13 -0.10 -0.09 0.00 -1.87 0.00 0.00 60.65 58.71 3kei h LYS 236 Cb 0.55 -0.09 -0.02 0.00 0.08 0.00 0.00 32.23 32.75 3kei h LYS 236 CO 0.03 0.55 0.01 -0.07 -0.57 0.00 0.00 179.45 179.40 3kei h LEU 237 N 0.47 1.01 0.30 2.94 3.38 -0.98 -1.00 115.31 121.42 3kei h LEU 237 Ca 0.13 -0.30 0.00 0.00 0.09 0.00 0.00 57.88 57.79 3kei h LEU 237 Cb 0.19 -0.27 -0.02 0.00 0.09 0.00 0.00 40.66 40.65 3kei h LEU 237 CO -0.01 1.07 -0.32 -1.28 0.09 0.00 0.00 178.44 177.99 3kei h SER 238 N 0.93 -0.87 0.42 -0.43 0.87 -0.83 -1.80 113.55 111.84 3kei h SER 238 Ca 0.17 0.08 -0.05 0.00 -1.23 0.00 0.00 61.79 60.75 3kei h SER 238 Cb 0.55 0.30 -0.01 0.00 -0.44 0.00 0.00 62.40 62.80 3kei h SER 238 CO 0.03 -0.45 -0.25 -0.33 -0.53 0.00 0.00 176.83 175.30 3kei h GLU 239 N -0.65 0.00 -0.00 2.24 5.08 -0.92 -2.10 114.58 118.22 3kei h GLU 239 Ca -0.01 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.35 3kei h GLU 239 Cb 0.61 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.86 3kei h GLU 239 CO -0.08 0.25 -0.06 0.00 -1.00 0.00 0.00 179.01 178.12 3kei n ALA 240 N -2.38 2.67 -1.00 3.43 0.00 -0.40 -4.90 120.51 117.93 3kei n ALA 240 Ca -0.02 -0.23 0.00 0.00 0.00 0.00 0.00 53.44 53.19 3kei n ALA 240 Cb 0.34 -1.39 0.00 0.00 0.00 0.00 0.00 19.45 18.40 3kei n ALA 240 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3kei n GLY 241 N 1.24 0.60 0.24 0.00 0.00 -0.79 -4.94 105.19 101.55 3kei n GLY 241 Ca 0.16 0.00 -0.10 0.00 0.00 0.00 0.00 46.02 46.08 3kei n GLY 241 CO 0.00 0.00 0.00 -2.08 0.00 0.00 0.00 173.32 171.24 3kei h VAL 242 N 0.00 1.29 -0.89 1.61 2.07 -1.54 -2.19 116.25 116.60 3kei h VAL 242 Ca 0.00 -1.60 -0.02 0.00 0.82 0.00 0.00 66.70 65.90 3kei h VAL 242 Cb 0.00 1.52 -0.04 0.00 -1.52 0.00 0.00 31.29 31.25 3kei h VAL 242 CO 0.00 0.52 0.48 -0.07 0.02 0.00 0.00 177.57 178.51 3kei h LEU 243 N 0.58 1.12 -0.54 2.57 3.38 -1.82 -0.08 115.31 120.53 3kei h LEU 243 Ca 0.04 -0.11 -0.05 0.00 0.09 0.00 0.00 57.88 57.86 3kei h LEU 243 Cb 0.97 -0.29 -0.02 0.00 0.09 0.00 0.00 40.66 41.41 3kei h LEU 243 CO 0.09 0.91 0.15 0.44 0.09 0.00 0.00 178.44 180.12 3kei h ASP 244 N 1.25 0.81 -0.68 -0.43 3.32 -1.84 -1.04 116.42 117.81 3kei h ASP 244 Ca 0.31 -0.22 -0.02 0.00 0.02 0.00 0.00 57.03 57.12 3kei h ASP 244 Cb 0.05 -0.21 -0.03 0.00 0.22 0.00 0.00 39.33 39.35 3kei h ASP 244 CO -0.05 0.82 0.36 0.11 -1.72 0.00 0.00 179.24 178.77 3kei h LYS 245 N 0.76 0.96 -0.53 3.56 1.57 -1.01 -1.44 116.57 120.43 3kei h LYS 245 Ca 0.17 -0.12 -0.07 0.00 -1.87 0.00 0.00 60.65 58.76 3kei h LYS 245 Cb 0.32 -0.18 -0.02 0.00 0.08 0.00 0.00 32.23 32.42 3kei h LYS 245 CO -0.00 0.73 0.05 -0.07 -0.57 0.00 0.00 179.45 179.59 3kei h LEU 246 N 0.94 0.88 -0.44 2.94 3.38 -0.84 -0.46 115.31 121.70 3kei h LEU 246 Ca 0.24 -0.28 -0.01 0.00 0.09 0.00 0.00 57.88 57.92 3kei h LEU 246 Cb 0.06 -0.23 -0.02 0.00 0.09 0.00 0.00 40.66 40.55 3kei h LEU 246 CO -0.04 0.93 0.24 0.50 0.09 0.00 0.00 178.44 180.17 3kei h LYS 247 N 0.79 0.61 -0.90 1.13 3.64 -1.03 -2.24 116.57 118.58 3kei h LYS 247 Ca 0.16 -0.07 -0.01 0.00 -1.27 0.00 0.00 60.65 59.45 3kei h LYS 247 Cb 0.45 -0.12 -0.04 0.00 -0.41 0.00 0.00 32.23 32.11 3kei h LYS 247 CO 0.02 0.49 0.51 -0.91 -2.27 0.00 0.00 179.45 177.29 3kei h ASN 248 N 0.57 1.10 -0.46 4.20 2.35 -1.07 -0.84 115.58 121.43 3kei h ASN 248 Ca 0.15 -0.08 -0.00 0.00 -0.55 0.00 0.00 56.30 55.82 3kei h ASN 248 Cb 0.06 -0.28 -0.02 0.00 0.05 0.00 0.00 38.32 38.13 3kei h ASN 248 CO -0.02 0.87 0.29 0.50 -1.65 0.00 0.00 177.43 177.41 3kei h LYS 249 N 1.25 0.62 0.00 0.81 3.64 -0.87 0.17 116.57 122.18 3kei h LYS 249 Ca 0.32 -0.05 0.00 0.00 -1.27 0.00 0.00 60.65 59.65 3kei h LYS 249 Cb -0.01 -0.13 0.00 0.00 -0.41 0.00 0.00 32.23 31.68 3kei h LYS 249 CO -0.05 0.44 -1.43 0.91 -2.27 0.00 0.00 179.45 177.05 3kei n TRP 250 N -4.74 0.44 -0.14 1.91 7.02 -0.86 -3.75 117.44 117.32 3kei n TRP 250 Ca 0.02 0.13 -0.29 0.00 -1.02 0.00 0.00 57.50 56.33 3kei n TRP 250 Cb 0.04 -0.67 -0.10 0.00 -2.42 0.00 0.00 31.31 28.16 3kei n TRP 250 CO 0.00 0.00 0.00 0.91 -2.02 0.00 0.00 177.69 176.58 3kei n TRP 251 N -2.37 0.00 -0.05 -5.99 8.01 -0.34 -4.78 117.44 111.91 3kei n TRP 251 Ca -0.01 0.00 -0.07 0.00 -1.31 0.00 0.00 57.50 56.11 3kei n TRP 251 Cb 0.54 -0.98 -0.06 0.00 -2.01 0.00 0.00 31.31 28.80 3kei n TRP 251 CO 0.00 0.00 0.00 0.66 -1.01 0.00 0.00 177.69 177.34 3kei n TYR 252 N -4.24 0.00 0.23 -5.99 4.01 -0.93 -3.72 117.16 106.52 3kei n TYR 252 Ca -0.54 0.00 0.07 0.00 -0.16 0.00 0.00 57.90 57.27 3kei n TYR 252 Cb 0.88 -0.44 0.54 0.00 -0.31 0.00 0.00 39.34 40.01 3kei n TYR 252 CO 0.00 0.00 0.00 -0.44 -0.46 0.00 0.00 176.86 175.96 3kei h ASP 253 N 0.00 0.00 0.03 7.72 3.32 -0.85 0.98 116.42 127.62 3kei h ASP 253 Ca -0.25 0.00 0.00 0.00 0.02 0.00 0.00 57.03 56.80 3kei h ASP 253 Cb 1.46 0.00 0.00 0.00 0.22 0.00 0.00 39.33 41.01 3kei h ASP 253 CO -0.02 0.20 -0.11 0.29 -1.72 0.00 0.00 179.24 177.88 3kei n LYS 254 N -4.09 1.64 -1.50 3.56 5.02 -1.25 -5.00 118.16 116.55 3kei n LYS 254 Ca -0.02 -1.15 -0.48 0.00 -2.02 0.00 0.00 58.31 54.64 3kei n LYS 254 Cb 0.27 -1.48 -0.03 0.00 -0.02 0.00 0.00 35.03 33.77 3kei n LYS 254 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 3kei n GLY 255 N 1.28 -0.84 0.00 0.72 0.00 0.33 -4.93 105.19 101.76 3kei n GLY 255 Ca 0.15 0.40 0.00 0.00 0.00 0.00 0.00 46.02 46.58 3kei n GLY 255 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 3kei n GLU 256 N 1.08 4.98 0.00 1.61 1.02 0.38 -5.06 120.64 124.65 3kei n GLU 256 Ca 0.15 -0.03 0.09 0.00 -0.02 0.00 0.00 57.16 57.36 3kei n GLU 256 Cb 0.26 -0.42 0.08 0.00 -0.02 0.00 0.00 31.44 31.33 3kei n GLU 256 CO 0.00 0.00 0.00 0.00 1.18 0.00 0.00 177.13 178.31