#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 4.94 -0.20 12.58 1.01 0.92 -4.85 120.40 134.80 3kei s VAL 2 Ca 0.00 1.61 -0.28 0.00 0.00 0.00 0.00 61.98 63.31 3kei s VAL 2 Cb 0.00 -4.12 0.00 0.00 0.00 0.00 0.00 36.38 32.26 3kei s VAL 2 CO 0.00 0.12 1.00 -0.69 0.00 0.00 0.00 175.10 175.53 3kei s VAL 3 N 1.54 4.73 -0.33 2.92 1.01 -1.26 -0.72 120.40 128.28 3kei s VAL 3 Ca 0.39 1.96 -0.10 0.00 0.00 0.00 0.00 61.98 64.23 3kei s VAL 3 Cb -0.17 -4.28 0.01 0.00 0.00 0.00 0.00 36.38 31.93 3kei s VAL 3 CO 0.16 -0.12 0.16 -0.69 0.00 0.00 0.00 175.10 174.61 3kei s VAL 4 N 2.87 4.51 0.11 2.92 1.01 -0.19 -0.79 120.40 130.84 3kei s VAL 4 Ca 0.43 -0.60 -0.27 0.00 0.00 0.00 0.00 61.98 61.55 3kei s VAL 4 Cb -0.16 -3.38 -0.07 0.00 0.00 0.00 0.00 36.38 32.78 3kei s VAL 4 CO 0.09 -0.03 0.83 0.28 0.00 0.00 0.00 175.10 176.27 3kei s THR 5 N 1.58 4.51 0.36 3.92 -1.32 0.83 -0.65 115.64 124.88 3kei s THR 5 Ca 0.03 1.79 -0.08 0.00 -1.21 0.00 0.00 61.69 62.23 3kei s THR 5 Cb -0.18 -4.19 0.02 0.00 -1.51 0.00 0.00 72.50 66.65 3kei s THR 5 CO 0.06 0.41 0.60 0.28 -2.21 0.00 0.00 174.62 173.76 3kei s THR 6 N -0.46 0.00 0.03 5.08 -1.32 -1.10 -2.13 115.64 115.74 3kei s THR 6 Ca 0.40 -1.36 0.05 0.00 -1.21 0.00 0.00 61.69 59.56 3kei s THR 6 Cb -0.22 -2.74 -0.02 0.00 -1.51 0.00 0.00 72.50 68.01 3kei s THR 6 CO 0.26 0.00 -0.14 -0.51 -2.21 0.00 0.00 174.62 172.03 3kei s ILE 7 N -2.74 1.08 -0.69 5.08 2.07 -1.26 -0.69 121.20 124.06 3kei s ILE 7 Ca 0.25 -0.89 -0.27 0.00 -1.41 0.00 0.00 60.65 58.33 3kei s ILE 7 Cb -0.02 -0.96 0.00 0.00 0.13 0.00 0.00 42.46 41.60 3kei s ILE 7 CO 0.17 0.07 1.60 -0.04 -1.91 0.00 0.00 174.94 174.82 3kei s MET 8 N -0.94 2.90 -0.15 3.50 -1.94 -1.26 -4.37 119.30 117.03 3kei s MET 8 Ca 0.02 0.15 -0.06 0.00 -1.71 0.00 0.00 55.69 54.10 3kei s MET 8 Cb -0.07 -4.35 0.07 0.00 2.01 0.00 0.00 34.83 32.50 3kei s MET 8 CO 0.01 -2.48 0.32 -2.00 -0.01 0.00 0.00 175.02 170.86 3kei s GLU 9 N 6.41 0.21 0.26 2.03 2.56 -0.82 -5.00 118.70 124.36 3kei s GLU 9 Ca 0.52 0.86 -0.30 0.00 0.00 0.00 0.00 54.97 56.05 3kei s GLU 9 Cb -0.10 0.10 -0.09 0.00 2.00 0.00 0.00 34.13 36.04 3kei s GLU 9 CO 0.17 -0.27 1.05 -1.12 -0.56 0.00 0.00 175.26 174.52 3kei s SER 10 N 2.49 7.39 -0.22 -1.70 0.01 -1.26 -0.43 113.70 119.98 3kei s SER 10 Ca 0.00 2.16 0.12 0.00 1.31 0.00 0.00 55.95 59.54 3kei s SER 10 Cb -0.12 -2.62 0.72 0.00 0.21 0.00 0.00 66.02 64.21 3kei s SER 10 CO -0.10 -0.05 1.61 -0.81 0.41 0.00 0.00 173.24 174.30 3kei n PRO 11 N 1.34 4.33 0.06 12.44 -0.04 -1.26 -4.93 135.00 146.95 3kei n PRO 11 Ca -0.01 -2.77 -0.12 0.00 -0.04 0.00 0.00 63.50 60.56 3kei n PRO 11 Cb 0.46 -2.17 -0.08 0.00 -0.04 0.00 0.00 33.50 31.66 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 3.39 -0.19 -3.29 0.54 0.05 -1.08 -0.39 116.97 115.99 3kei h TYR 12 Ca 0.03 -0.00 -0.33 0.00 0.05 0.00 0.00 58.73 58.47 3kei h TYR 12 Cb 1.85 0.06 -0.37 0.00 1.01 0.00 0.00 36.73 39.29 3kei h TYR 12 CO 0.99 0.23 -0.70 0.08 -1.05 0.00 0.00 178.16 177.71 3kei s VAL 13 N -4.02 -0.13 0.03 -2.88 1.01 -0.37 -0.57 120.40 113.47 3kei s VAL 13 Ca -0.14 0.36 -0.00 0.00 0.00 0.00 0.00 61.98 62.19 3kei s VAL 13 Cb 0.01 -0.18 -0.03 0.00 0.00 0.00 0.00 36.38 36.19 3kei s VAL 13 CO 0.56 0.15 -0.03 -0.04 0.00 0.00 0.00 175.10 175.73 3kei s MET 14 N 1.92 0.43 0.18 2.72 -1.94 0.18 -1.94 119.30 120.85 3kei s MET 14 Ca 0.01 -0.84 -0.30 0.00 -1.71 0.00 0.00 55.69 52.85 3kei s MET 14 Cb -0.12 0.13 -0.09 0.00 2.01 0.00 0.00 34.83 36.76 3kei s MET 14 CO -0.04 -0.07 1.32 0.71 -0.01 0.00 0.00 175.02 176.93 3kei s TYR 15 N -2.35 3.26 0.84 -0.03 2.02 -1.26 -1.05 117.35 118.78 3kei s TYR 15 Ca -0.07 1.18 -0.12 0.00 -0.37 0.00 0.00 57.07 57.69 3kei s TYR 15 Cb -0.03 -3.61 0.11 0.00 -0.40 0.00 0.00 41.96 38.02 3kei s TYR 15 CO -0.04 -1.95 1.17 0.15 -1.57 0.00 0.00 175.55 173.32 3kei s LYS 16 N 0.12 1.44 0.21 -0.62 1.02 -0.50 -4.80 119.74 116.61 3kei s LYS 16 Ca 0.58 1.64 -0.31 0.00 0.02 0.00 0.00 55.97 57.90 3kei s LYS 16 Cb -0.36 -1.77 -0.11 0.00 -0.52 0.00 0.00 37.83 35.07 3kei s LYS 16 CO 0.37 -2.34 1.60 0.21 -0.92 0.00 0.00 175.35 174.27 3kei s LYS 17 N -4.38 4.18 -1.24 1.68 2.47 -1.26 -2.27 119.74 118.93 3kei s LYS 17 Ca 0.70 2.47 -0.07 0.00 -1.56 0.00 0.00 55.97 57.51 3kei s LYS 17 Cb -0.26 -3.10 0.01 0.00 -1.46 0.00 0.00 37.83 33.02 3kei s LYS 17 CO 0.53 -0.63 0.90 0.09 0.16 0.00 0.00 175.35 176.41 3kei n ASN 18 N 3.39 -5.78 0.12 1.43 3.02 -1.26 -4.90 115.26 111.28 3kei n ASN 18 Ca 0.12 -0.41 0.18 0.00 -0.03 0.00 0.00 54.58 54.44 3kei n ASN 18 Cb 0.38 -4.46 0.75 0.00 -0.61 0.00 0.00 39.78 35.84 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 -2.06 0.00 -0.00 3.10 2.07 -1.75 -2.13 115.15 114.38 3kei h HIS 19 Ca -0.49 0.00 0.00 0.00 -2.85 0.00 0.00 60.37 57.03 3kei h HIS 19 Cb 1.32 0.00 -0.00 0.00 2.57 0.00 0.00 27.41 31.30 3kei h HIS 19 CO 0.44 0.00 0.00 0.93 -3.07 0.00 0.00 177.93 176.24 3kei h GLU 20 N 0.00 0.00 0.00 5.12 3.07 -1.90 -1.80 114.58 119.07 3kei h GLU 20 Ca 0.15 0.00 0.00 0.00 -0.50 0.00 0.00 59.36 59.01 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 -0.39 0.00 -1.40 0.00 0.00 179.01 177.22 3kei n MET 21 N -3.71 0.05 -3.38 2.33 0.00 -0.80 -4.89 117.12 106.72 3kei n MET 21 Ca -0.03 0.02 -0.21 0.00 0.00 0.00 0.00 57.70 57.48 3kei n MET 21 Cb 0.08 -1.54 -0.00 0.00 0.00 0.00 0.00 33.22 31.76 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 -3.03 3.25 0.05 3.17 0.40 -0.68 -5.11 117.98 116.03 3kei s PHE 22 Ca 0.11 0.02 0.09 0.00 -0.60 0.00 0.00 56.93 56.56 3kei s PHE 22 Cb 0.17 -2.02 -0.03 0.00 0.51 0.00 0.00 43.02 41.65 3kei s PHE 22 CO 0.66 -0.04 -0.26 -1.21 0.70 0.00 0.00 175.22 175.07 3kei s GLU 23 N -4.29 1.78 5.35 0.44 2.02 -1.26 -4.73 118.70 118.01 3kei s GLU 23 Ca 0.44 -1.13 0.00 0.00 0.02 0.00 0.00 54.97 54.30 3kei s GLU 23 Cb -0.10 -1.99 0.00 0.00 0.10 0.00 0.00 34.13 32.15 3kei s GLU 23 CO 0.34 0.51 0.00 0.41 0.02 0.00 0.00 175.26 176.53 3kei n GLY 24 N 1.67 2.98 0.35 -1.39 0.00 -1.26 -2.08 105.19 105.45 3kei n GLY 24 Ca -0.17 -0.21 0.18 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 3.83 0.00 0.28 1.61 2.35 -1.93 -2.51 115.58 119.21 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 -3.98 0.00 0.21 5.81 10.43 -0.89 -2.20 116.55 125.95 3kei n ASP 26 Ca 0.04 -0.43 0.15 0.00 2.57 0.00 0.00 54.79 57.11 3kei n ASP 26 Cb 0.41 -0.16 0.55 0.00 1.84 0.00 0.00 41.12 43.77 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 -6.55 -1.24 1.57 -1.56 -3.44 116.57 105.34 3kei h LYS 27 Ca 0.00 0.00 -0.65 0.00 -1.87 0.00 0.00 60.65 58.13 3kei h LYS 27 Cb 0.14 0.00 -0.16 0.00 0.08 0.00 0.00 32.23 32.29 3kei h LYS 27 CO 0.00 0.00 -0.76 0.71 -0.57 0.00 0.00 179.45 178.83 3kei s TYR 28 N -3.47 2.55 0.10 -1.35 2.02 -0.93 -1.41 117.35 114.85 3kei s TYR 28 Ca 0.03 -0.26 -0.06 0.00 -0.37 0.00 0.00 57.07 56.42 3kei s TYR 28 Cb 0.09 -1.28 -0.02 0.00 -0.40 0.00 0.00 41.96 40.35 3kei s TYR 28 CO 0.51 0.47 0.14 -1.83 -1.57 0.00 0.00 175.55 173.28 3kei s GLU 29 N -2.59 0.85 0.00 -0.62 -1.05 -0.21 -4.78 118.70 110.30 3kei s GLU 29 Ca 0.22 -1.11 0.00 0.00 -0.15 0.00 0.00 54.97 53.93 3kei s GLU 29 Cb -0.09 0.31 0.00 0.00 -0.44 0.00 0.00 34.13 33.91 3kei s GLU 29 CO 0.13 -0.26 0.00 0.41 0.95 0.00 0.00 175.26 176.49 3kei n GLY 30 N -0.05 1.45 0.14 -3.83 0.00 -1.26 -0.65 105.19 100.99 3kei n GLY 30 Ca -0.12 -1.89 -0.06 0.00 0.00 0.00 0.00 46.02 43.94 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 -0.18 0.00 1.61 5.03 -0.56 -1.02 116.97 121.85 3kei h TYR 31 Ca 0.00 0.03 -0.08 0.00 2.58 0.00 0.00 58.73 61.26 3kei h TYR 31 Cb 0.00 0.13 -0.01 0.00 1.55 0.00 0.00 36.73 38.40 3kei h TYR 31 CO 0.00 -0.14 -0.39 0.00 -1.32 0.00 0.00 178.16 176.31 3kei h VAL 33 N 0.00 1.23 -0.51 0.00 2.07 -1.43 -0.15 116.25 117.46 3kei h VAL 33 Ca -0.00 -0.78 -0.06 0.00 0.82 0.00 0.00 66.70 66.67 3kei h VAL 33 Cb 1.11 1.21 -0.02 0.00 -1.52 0.00 0.00 31.29 32.07 3kei h VAL 33 CO 0.05 0.25 0.06 0.44 0.02 0.00 0.00 177.57 178.40 3kei h ASP 34 N 0.27 0.82 -0.74 0.57 3.45 -0.91 -2.04 116.42 117.84 3kei h ASP 34 Ca 0.08 -0.27 -0.00 0.00 0.43 0.00 0.00 57.03 57.27 3kei h ASP 34 Cb 0.33 -0.22 -0.04 0.00 -0.56 0.00 0.00 39.33 38.84 3kei h ASP 34 CO 0.00 0.89 0.44 0.25 -1.57 0.00 0.00 179.24 179.26 3kei h LEU 35 N 0.73 0.89 -0.54 1.55 5.85 -0.81 -1.24 115.31 121.74 3kei h LEU 35 Ca 0.15 -0.07 0.02 0.00 0.84 0.00 0.00 57.88 58.82 3kei h LEU 35 Cb 0.43 -0.22 -0.03 0.00 0.37 0.00 0.00 40.66 41.20 3kei h LEU 35 CO 0.01 0.69 0.34 0.00 -0.34 0.00 0.00 178.44 179.15 3kei h ALA 36 N 1.23 0.70 -0.49 1.25 0.00 -0.88 -0.46 119.26 120.61 3kei h ALA 36 Ca 0.26 -0.02 -0.00 0.00 0.00 0.00 0.00 54.91 55.15 3kei h ALA 36 Cb -0.03 -0.19 -0.02 0.00 0.00 0.00 0.00 17.79 17.55 3kei h ALA 36 CO -0.05 0.08 0.31 1.03 0.00 0.00 0.00 179.25 180.62 3kei h SER 37 N 0.69 0.58 -0.33 0.00 0.87 -1.01 -1.43 113.55 112.91 3kei h SER 37 Ca 0.21 -0.04 -0.03 0.00 -1.23 0.00 0.00 61.79 60.70 3kei h SER 37 Cb -0.03 -0.15 -0.01 0.00 -0.44 0.00 0.00 62.40 61.77 3kei h SER 37 CO -0.07 0.45 0.10 -0.33 -0.53 0.00 0.00 176.83 176.44 3kei h GLU 38 N 0.66 0.52 -0.08 2.24 4.39 -0.93 -1.79 114.58 119.59 3kei h GLU 38 Ca 0.18 -0.12 -0.01 0.00 0.34 0.00 0.00 59.36 59.75 3kei h GLU 38 Cb -0.03 -0.07 -0.00 0.00 -0.10 0.00 0.00 28.75 28.54 3kei h GLU 38 CO -0.04 0.56 0.02 0.82 -1.16 0.00 0.00 179.01 179.22 3kei h ILE 39 N 0.38 1.18 -0.85 3.13 2.04 -1.02 -2.08 117.51 120.29 3kei h ILE 39 Ca 0.11 -0.55 0.08 0.00 1.00 0.00 0.00 64.86 65.50 3kei h ILE 39 Cb 0.27 1.39 -0.06 0.00 -0.74 0.00 0.00 36.82 37.68 3kei h ILE 39 CO -0.00 0.16 0.55 0.00 0.00 0.00 0.00 178.15 178.86 3kei h ALA 40 N 0.82 1.65 -0.48 1.87 0.00 -1.24 0.13 119.26 122.01 3kei h ALA 40 Ca 0.03 -0.01 -0.06 0.00 0.00 0.00 0.00 54.91 54.86 3kei h ALA 40 Cb 0.23 -0.21 -0.02 0.00 0.00 0.00 0.00 17.79 17.79 3kei h ALA 40 CO -0.00 0.20 0.05 -0.22 0.00 0.00 0.00 179.25 179.28 3kei h LYS 41 N 0.86 0.81 -0.27 0.00 3.64 -1.20 0.38 116.57 120.79 3kei h LYS 41 Ca 0.38 -0.23 -0.15 0.00 -1.27 0.00 0.00 60.65 59.38 3kei h LYS 41 Cb 0.35 -0.09 -0.01 0.00 -0.41 0.00 0.00 32.23 32.07 3kei h LYS 41 CO -0.15 0.83 -0.44 0.45 -2.27 0.00 0.00 179.45 177.87 3kei h HIS 42 N 0.67 0.82 -0.01 1.91 3.86 -0.53 -3.29 115.15 118.58 3kei h HIS 42 Ca 0.14 -0.25 0.00 0.00 -1.16 0.00 0.00 60.37 59.10 3kei h HIS 42 Cb 0.43 -0.17 0.00 0.00 1.06 0.00 0.00 27.41 28.73 3kei h HIS 42 CO 0.03 1.00 -0.47 0.44 0.86 0.00 0.00 177.93 179.79 3kei n ILE 43 N -4.02 0.00 -2.52 2.45 -5.35 -0.08 -5.01 119.36 104.83 3kei n ILE 43 Ca -0.02 -0.26 -0.08 0.00 -0.27 0.00 0.00 62.75 62.12 3kei n ILE 43 Cb 0.55 1.23 0.04 0.00 -1.74 0.00 0.00 39.64 39.72 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 1.36 0.00 3.25 3.28 0.00 0.07 -5.05 105.19 108.10 3kei n GLY 44 Ca 0.08 -0.05 -0.23 0.00 0.00 0.00 0.00 46.02 45.82 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 -3.18 1.55 0.08 -0.61 -4.36 -0.86 -5.06 121.20 108.76 3kei s ILE 45 Ca 0.10 -1.45 -0.13 0.00 -0.26 0.00 0.00 60.65 58.92 3kei s ILE 45 Cb -0.01 -1.42 -0.06 0.00 1.25 0.00 0.00 42.46 42.22 3kei s ILE 45 CO 0.35 -0.08 0.45 -0.54 0.24 0.00 0.00 174.94 175.36 3kei s LYS 46 N -1.79 3.87 0.04 0.37 1.02 -1.26 -4.73 119.74 117.27 3kei s LYS 46 Ca 0.04 0.34 -0.06 0.00 0.02 0.00 0.00 55.97 56.31 3kei s LYS 46 Cb -0.10 -3.04 -0.01 0.00 -0.52 0.00 0.00 37.83 34.17 3kei s LYS 46 CO 0.03 0.57 0.12 1.52 -0.92 0.00 0.00 175.35 176.67 3kei s TYR 47 N -1.33 0.17 -0.10 3.18 1.13 -1.26 -0.05 117.35 119.08 3kei s TYR 47 Ca 0.32 -0.46 0.01 0.00 -1.41 0.00 0.00 57.07 55.53 3kei s TYR 47 Cb -0.15 -0.12 0.02 0.00 -1.10 0.00 0.00 41.96 40.61 3kei s TYR 47 CO 0.17 -0.38 -0.12 0.21 -2.51 0.00 0.00 175.55 172.93 3kei s LYS 48 N -2.62 1.84 0.00 -3.49 2.20 0.10 -4.86 119.74 112.92 3kei s LYS 48 Ca -0.05 -0.41 -0.30 0.00 -0.36 0.00 0.00 55.97 54.85 3kei s LYS 48 Cb -0.01 -1.68 -0.05 0.00 -1.51 0.00 0.00 37.83 34.58 3kei s LYS 48 CO -0.05 -0.13 1.29 0.42 -0.36 0.00 0.00 175.35 176.52 3kei s ILE 49 N 1.21 3.93 -0.22 5.43 1.01 -1.26 -1.02 121.20 130.28 3kei s ILE 49 Ca -0.03 1.32 0.00 0.00 0.00 0.00 0.00 60.65 61.94 3kei s ILE 49 Cb -0.14 -3.85 0.06 0.00 0.01 0.00 0.00 42.46 38.53 3kei s ILE 49 CO -0.04 0.03 -0.05 0.00 0.00 0.00 0.00 174.94 174.89 3kei s ALA 50 N 1.95 1.79 0.12 9.38 0.00 0.18 -4.86 121.76 130.32 3kei s ALA 50 Ca 0.60 -1.19 -0.31 0.00 0.00 0.00 0.00 51.96 51.06 3kei s ALA 50 Cb -0.29 -1.35 -0.09 0.00 0.00 0.00 0.00 23.12 21.39 3kei s ALA 50 CO 0.26 -1.10 1.55 0.42 0.00 0.00 0.00 175.76 176.88 3kei s ILE 51 N 1.48 2.95 -0.22 0.00 -1.09 -1.26 -2.70 121.20 120.35 3kei s ILE 51 Ca -0.04 0.59 -0.37 0.00 -2.23 0.00 0.00 60.65 58.60 3kei s ILE 51 Cb -0.18 -3.38 -0.14 0.00 -1.58 0.00 0.00 42.46 37.18 3kei s ILE 51 CO -0.07 0.03 1.85 0.55 -1.23 0.00 0.00 174.94 176.07 3kei n VAL 52 N 4.24 0.40 -0.25 2.92 3.14 0.14 -4.87 118.33 124.05 3kei n VAL 52 Ca 0.14 -0.09 0.06 0.00 -2.96 0.00 0.00 64.34 61.49 3kei n VAL 52 Cb 0.40 -1.52 0.19 0.00 -1.06 0.00 0.00 33.84 31.85 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 8.52 0.23 -0.00 1.45 0.11 -1.91 -2.23 132.00 138.16 3kei h PRO 53 Ca -0.45 -0.01 0.00 0.00 0.11 0.00 0.00 66.00 65.64 3kei h PRO 53 Cb 1.30 -0.05 0.00 0.00 0.11 0.00 0.00 31.00 32.36 3kei h PRO 53 CO 0.96 0.15 -0.20 -0.40 -0.21 0.00 0.00 178.00 178.30 3kei n ASP 54 N -5.19 0.60 -0.58 -2.05 3.85 -1.26 -4.94 116.55 106.98 3kei n ASP 54 Ca 0.15 -0.53 -0.07 0.00 -0.71 0.00 0.00 54.79 53.62 3kei n ASP 54 Cb 0.48 0.00 -0.03 0.00 -1.35 0.00 0.00 41.12 40.23 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 1.35 0.84 3.64 6.12 0.00 -0.84 -4.98 105.19 111.31 3kei n GLY 55 Ca 0.12 -0.71 -0.27 0.00 0.00 0.00 0.00 46.02 45.16 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 -2.79 2.31 -0.05 1.61 1.02 -1.26 -4.93 119.74 115.66 3kei s LYS 56 Ca 0.00 -1.14 -0.17 0.00 0.02 0.00 0.00 55.97 54.68 3kei s LYS 56 Cb 0.00 -2.31 -0.11 0.00 -0.52 0.00 0.00 37.83 34.90 3kei s LYS 56 CO 0.00 0.45 0.69 1.88 -0.92 0.00 0.00 175.35 177.45 3kei h TYR 57 N 2.78 -0.36 0.00 3.18 -1.99 -1.87 -2.34 116.97 116.38 3kei h TYR 57 Ca -0.47 -0.01 0.00 0.00 2.00 0.00 0.00 58.73 60.25 3kei h TYR 57 Cb 1.20 0.12 0.00 0.00 2.00 0.00 0.00 36.73 40.05 3kei h TYR 57 CO 0.63 -0.09 0.00 0.41 -0.00 0.00 0.00 178.16 179.11 3kei n GLY 58 N 0.55 2.99 3.09 3.88 0.00 -0.53 -1.00 105.19 114.17 3kei n GLY 58 Ca -0.07 -0.09 -0.08 0.00 0.00 0.00 0.00 46.02 45.79 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 0.25 -0.18 4.61 0.00 -1.25 -4.56 121.76 120.63 3kei s ALA 59 Ca 0.00 -0.91 -0.12 0.00 0.00 0.00 0.00 51.96 50.94 3kei s ALA 59 Cb 0.00 0.27 -0.05 0.00 0.00 0.00 0.00 23.12 23.34 3kei s ALA 59 CO 0.00 -0.34 0.21 0.50 0.00 0.00 0.00 175.76 176.13 3kei s ARG 60 N -3.24 4.21 -0.41 0.00 3.52 -1.26 -1.63 118.95 120.13 3kei s ARG 60 Ca 0.01 -0.07 -0.28 0.00 -0.13 0.00 0.00 55.73 55.25 3kei s ARG 60 Cb 0.03 -3.42 -0.01 0.00 -1.56 0.00 0.00 34.95 29.99 3kei s ARG 60 CO -0.08 0.28 1.68 0.34 -0.81 0.00 0.00 175.30 176.72 3kei s ASP 61 N 0.39 5.92 0.00 -2.12 -1.08 -0.88 -4.82 116.67 114.08 3kei s ASP 61 Ca 0.12 0.95 0.00 0.00 -0.52 0.00 0.00 52.55 53.10 3kei s ASP 61 Cb -0.12 -2.53 0.00 0.00 -1.46 0.00 0.00 42.92 38.81 3kei s ASP 61 CO 0.01 -1.75 0.49 0.00 0.52 0.00 0.00 175.17 174.44 3kei n ALA 62 N 10.26 1.12 -0.02 3.66 0.00 -1.26 0.22 120.51 134.49 3kei n ALA 62 Ca 0.20 0.00 -0.03 0.00 0.00 0.00 0.00 53.44 53.61 3kei n ALA 62 Cb 0.48 -0.79 -0.01 0.00 0.00 0.00 0.00 19.45 19.13 3kei n ALA 62 CO 0.00 0.00 0.00 -0.25 0.00 0.00 0.00 177.50 177.25 3kei n ASP 63 N -0.99 0.77 0.11 0.00 8.00 -1.26 -4.72 116.55 118.46 3kei n ASP 63 Ca 0.00 0.12 0.12 0.00 0.71 0.00 0.00 54.79 55.75 3kei n ASP 63 Cb 0.02 -0.46 0.23 0.00 -0.02 0.00 0.00 41.12 40.90 3kei n ASP 63 CO 0.00 0.00 0.00 0.71 -0.39 0.00 0.00 177.20 177.52 3kei h THR 64 N -0.31 0.00 -0.16 -3.53 1.35 -1.91 -3.47 112.91 104.88 3kei h THR 64 Ca 0.00 -0.63 -0.07 0.00 -0.55 0.00 0.00 66.41 65.16 3kei h THR 64 Cb 0.31 1.42 -0.03 0.00 -1.73 0.00 0.00 68.15 68.12 3kei h THR 64 CO 0.00 0.00 -0.06 0.29 -0.25 0.00 0.00 175.52 175.50 3kei n LYS 65 N -2.40 -1.04 -3.08 4.72 4.76 0.59 -4.96 118.16 116.76 3kei n LYS 65 Ca 0.04 0.46 -0.39 0.00 -2.87 0.00 0.00 58.31 55.54 3kei n LYS 65 Cb 0.46 -4.35 -0.05 0.00 -1.84 0.00 0.00 35.03 29.26 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 -1.72 5.07 0.07 -0.18 1.01 -1.26 -4.61 121.20 119.58 3kei s ILE 66 Ca 0.00 1.38 -0.30 0.00 0.00 0.00 0.00 60.65 61.73 3kei s ILE 66 Cb 0.00 -4.01 -0.05 0.00 0.01 0.00 0.00 42.46 38.41 3kei s ILE 66 CO 0.00 0.26 1.11 0.26 0.00 0.00 0.00 174.94 176.58 3kei s TRP 67 N 0.78 3.54 0.38 3.97 0.52 -1.26 -2.07 118.94 124.80 3kei s TRP 67 Ca 0.36 1.48 0.05 0.00 0.02 0.00 0.00 56.10 58.00 3kei s TRP 67 Cb -0.17 -3.30 0.05 0.00 -1.15 0.00 0.00 33.47 28.89 3kei s TRP 67 CO 0.17 -0.77 0.41 0.27 0.02 0.00 0.00 176.95 177.05 3kei n ASN 68 N 3.62 1.82 0.00 2.95 0.23 -0.65 -4.17 115.26 119.07 3kei n ASN 68 Ca 0.07 -2.17 0.00 0.00 -0.53 0.00 0.00 54.58 51.95 3kei n ASN 68 Cb 0.48 -0.15 0.00 0.00 -2.08 0.00 0.00 39.78 38.02 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 0.37 0.41 0.29 4.83 0.00 -1.26 -1.35 105.19 108.48 3kei n GLY 69 Ca 0.05 -0.92 -0.00 0.00 0.00 0.00 0.00 46.02 45.14 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 0.65 -0.39 1.61 2.86 -0.48 -1.78 114.93 117.40 3kei h MET 70 Ca 0.00 -0.11 0.02 0.00 -2.06 0.00 0.00 59.70 57.55 3kei h MET 70 Cb 0.00 -0.11 -0.03 0.00 0.06 0.00 0.00 31.60 31.52 3kei h MET 70 CO 0.00 0.58 0.22 0.28 1.06 0.00 0.00 176.91 179.06 3kei h VAL 71 N 0.64 1.03 -0.55 -2.22 2.07 -1.57 -2.47 116.25 113.18 3kei h VAL 71 Ca 0.15 -0.16 0.06 0.00 0.82 0.00 0.00 66.70 67.58 3kei h VAL 71 Cb 0.22 0.54 -0.05 0.00 -1.52 0.00 0.00 31.29 30.47 3kei h VAL 71 CO -0.01 0.08 0.25 1.23 0.02 0.00 0.00 177.57 179.15 3kei h GLY 72 N 0.45 0.77 0.78 2.17 0.00 -0.41 -0.66 103.07 106.17 3kei h GLY 72 Ca 0.15 -0.16 0.07 0.00 0.00 0.00 0.00 47.33 47.40 3kei h GLY 72 CO -0.08 0.07 0.61 0.83 0.00 0.00 0.00 176.54 177.97 3kei h GLU 73 N 0.47 1.04 -0.04 4.80 4.39 -0.92 -1.22 114.58 123.10 3kei h GLU 73 Ca 0.26 -0.06 -0.04 0.00 0.34 0.00 0.00 59.36 59.86 3kei h GLU 73 Cb 0.22 -0.23 0.00 0.00 -0.10 0.00 0.00 28.75 28.64 3kei h GLU 73 CO -0.21 0.69 -0.11 -0.07 -1.16 0.00 0.00 179.01 178.14 3kei h LEU 74 N 1.07 0.17 -1.00 1.33 3.38 -1.10 0.28 115.31 119.44 3kei h LEU 74 Ca 0.41 -0.61 0.05 0.00 0.09 0.00 0.00 57.88 57.82 3kei h LEU 74 Cb 0.22 -0.05 -0.06 0.00 0.09 0.00 0.00 40.66 40.86 3kei h LEU 74 CO -0.17 0.75 0.65 0.58 0.09 0.00 0.00 178.44 180.34 3kei h VAL 75 N -0.40 1.14 -0.68 1.22 2.07 -0.66 -2.47 116.25 116.47 3kei h VAL 75 Ca -0.00 -0.42 0.00 0.00 0.82 0.00 0.00 66.70 67.10 3kei h VAL 75 Cb 0.73 -0.19 0.00 0.00 -1.52 0.00 0.00 31.29 30.31 3kei h VAL 75 CO 0.02 0.22 0.00 -1.22 0.02 0.00 0.00 177.57 176.62 3kei n TYR 76 N -4.47 0.91 -1.25 1.57 4.02 -0.50 -4.96 117.16 112.48 3kei n TYR 76 Ca 0.14 -0.45 -0.03 0.00 -0.01 0.00 0.00 57.90 57.55 3kei n TYR 76 Cb 0.13 0.00 -0.01 0.00 -0.02 0.00 0.00 39.34 39.44 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 1.61 0.53 0.02 2.72 0.00 -0.93 -4.93 105.19 104.21 3kei n GLY 77 Ca 0.23 -0.93 0.13 0.00 0.00 0.00 0.00 46.02 45.45 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 0.08 -3.77 1.61 4.76 0.92 -4.89 118.16 114.24 3kei n LYS 78 Ca -0.03 0.03 -0.12 0.00 -2.87 0.00 0.00 58.31 55.33 3kei n LYS 78 Cb 0.16 -1.56 -0.08 0.00 -1.84 0.00 0.00 35.03 31.71 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 -3.04 -0.67 -0.19 7.82 0.00 -0.75 -4.96 121.76 119.96 3kei s ALA 79 Ca 0.11 0.07 0.19 0.00 0.00 0.00 0.00 51.96 52.33 3kei s ALA 79 Cb 0.17 0.23 -0.28 0.00 0.00 0.00 0.00 23.12 23.24 3kei s ALA 79 CO 0.65 -0.35 0.50 0.39 0.00 0.00 0.00 175.76 176.95 3kei n GLU 80 N 0.83 0.63 -3.64 0.00 4.71 0.03 -4.41 120.64 118.79 3kei n GLU 80 Ca -0.20 -0.14 -0.15 0.00 -0.01 0.00 0.00 57.16 56.66 3kei n GLU 80 Cb 0.58 -1.45 -0.08 0.00 -1.01 0.00 0.00 31.44 29.49 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 -3.24 0.01 -0.21 -3.67 2.07 -1.06 -4.24 121.20 110.86 3kei s ILE 81 Ca -0.04 -0.12 -0.03 0.00 -1.41 0.00 0.00 60.65 59.05 3kei s ILE 81 Cb 0.13 -0.83 -0.01 0.00 0.13 0.00 0.00 42.46 41.89 3kei s ILE 81 CO 0.80 -0.06 -0.06 0.00 -1.91 0.00 0.00 174.94 173.70 3kei s ALA 82 N -0.65 2.75 -0.42 1.50 0.00 0.35 -0.12 121.76 125.17 3kei s ALA 82 Ca -0.07 -1.15 0.04 0.00 0.00 0.00 0.00 51.96 50.77 3kei s ALA 82 Cb -0.03 -1.62 0.11 0.00 0.00 0.00 0.00 23.12 21.59 3kei s ALA 82 CO 0.05 -0.38 0.15 0.42 0.00 0.00 0.00 175.76 176.01 3kei s ILE 83 N 1.38 2.28 0.14 0.00 1.01 -0.90 -1.65 121.20 123.46 3kei s ILE 83 Ca 0.05 -2.72 -0.25 0.00 0.00 0.00 0.00 60.65 57.72 3kei s ILE 83 Cb -0.14 -2.64 0.07 0.00 0.01 0.00 0.00 42.46 39.76 3kei s ILE 83 CO -0.04 -0.71 0.85 0.00 0.00 0.00 0.00 174.94 175.04 3kei s ALA 84 N 0.40 -1.60 -0.78 9.38 0.00 -1.26 -4.64 121.76 123.25 3kei s ALA 84 Ca 0.14 0.31 -0.20 0.00 0.00 0.00 0.00 51.96 52.20 3kei s ALA 84 Cb -0.22 0.66 -0.15 0.00 0.00 0.00 0.00 23.12 23.41 3kei s ALA 84 CO -0.05 -0.92 1.94 -0.35 0.00 0.00 0.00 175.76 176.38 3kei n PRO 85 N -0.40 1.56 -3.67 0.00 -0.04 -1.26 -4.73 135.00 126.45 3kei n PRO 85 Ca -0.08 -1.80 -0.38 0.00 -0.04 0.00 0.00 63.50 61.20 3kei n PRO 85 Cb 0.61 -2.87 -0.12 0.00 -0.04 0.00 0.00 33.50 31.09 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 1.06 3.89 0.17 1.53 2.96 -1.26 -5.03 118.68 121.99 3kei s LEU 86 Ca 0.55 -0.33 -0.30 0.00 -0.22 0.00 0.00 54.13 53.83 3kei s LEU 86 Cb 0.14 -2.00 -0.08 0.00 0.50 0.00 0.00 46.19 44.75 3kei s LEU 86 CO 0.10 -0.12 1.17 -0.89 -1.32 0.00 0.00 176.35 175.30 3kei s THR 87 N 1.64 3.68 -0.23 3.68 2.01 -1.26 -1.98 115.64 123.18 3kei s THR 87 Ca 0.06 1.41 -0.29 0.00 0.31 0.00 0.00 61.69 63.17 3kei s THR 87 Cb -0.16 -3.90 -0.01 0.00 0.01 0.00 0.00 72.50 68.44 3kei s THR 87 CO 0.06 0.22 1.40 -0.63 -0.69 0.00 0.00 174.62 174.99 3kei s ILE 88 N -0.01 4.01 0.10 1.82 1.01 -0.39 -4.88 121.20 122.86 3kei s ILE 88 Ca 0.52 1.16 0.02 0.00 0.00 0.00 0.00 60.65 62.36 3kei s ILE 88 Cb -0.32 -3.95 -0.04 0.00 0.01 0.00 0.00 42.46 38.16 3kei s ILE 88 CO 0.36 -0.33 -0.07 0.42 0.00 0.00 0.00 174.94 175.31 3kei s THR 89 N 4.41 0.76 0.12 2.92 -4.23 -1.26 -4.75 115.64 113.61 3kei s THR 89 Ca 0.61 -1.89 -0.25 0.00 -1.18 0.00 0.00 61.69 58.98 3kei s THR 89 Cb -0.21 -1.63 -0.07 0.00 1.34 0.00 0.00 72.50 71.93 3kei s THR 89 CO 0.23 -0.81 1.66 0.25 -0.54 0.00 0.00 174.62 175.41 3kei h LEU 90 N 3.06 -0.58 -1.25 4.79 5.85 -1.98 -0.18 115.31 125.02 3kei h LEU 90 Ca -0.36 0.08 -0.01 0.00 0.84 0.00 0.00 57.88 58.43 3kei h LEU 90 Cb 1.17 0.23 -0.03 0.00 0.37 0.00 0.00 40.66 42.41 3kei h LEU 90 CO 0.63 -0.27 0.33 -0.37 -0.34 0.00 0.00 178.44 178.41 3kei h VAL 91 N -0.35 1.19 -0.18 1.05 -1.51 -2.00 -2.09 116.25 112.36 3kei h VAL 91 Ca 0.05 -0.48 -0.21 0.00 -1.23 0.00 0.00 66.70 64.83 3kei h VAL 91 Cb 0.40 0.36 0.01 0.00 -2.13 0.00 0.00 31.29 29.93 3kei h VAL 91 CO -0.16 0.21 -0.71 0.03 -1.23 0.00 0.00 177.57 175.71 3kei h ARG 92 N 0.86 0.78 0.00 5.19 3.08 -1.91 -3.16 114.38 119.22 3kei h ARG 92 Ca 0.22 -0.60 -0.01 0.00 0.07 0.00 0.00 59.98 59.67 3kei h ARG 92 Cb 0.03 0.11 -0.00 0.00 0.08 0.00 0.00 29.97 30.19 3kei h ARG 92 CO -0.03 1.21 -0.02 1.49 -1.07 0.00 0.00 179.97 181.54 3kei h GLU 93 N 0.55 0.00 0.00 0.04 4.57 -0.46 0.78 114.58 120.05 3kei h GLU 93 Ca -0.03 0.00 0.00 0.00 -1.18 0.00 0.00 59.36 58.15 3kei h GLU 93 Cb 1.33 0.00 0.00 0.00 -0.16 0.00 0.00 28.75 29.92 3kei h GLU 93 CO 0.15 0.02 0.00 0.93 -1.18 0.00 0.00 179.01 178.93 3kei h GLU 94 N 0.00 0.00 0.00 1.92 5.08 -1.35 -3.36 114.58 116.87 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 0.08 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.33 3kei h GLU 94 CO 0.00 0.00 -0.77 1.33 -1.00 0.00 0.00 179.01 178.57 3kei n VAL 95 N -2.86 0.00 -4.26 3.13 0.24 -0.51 -5.08 118.33 108.99 3kei n VAL 95 Ca 0.02 -0.03 -0.14 0.00 -2.04 0.00 0.00 64.34 62.15 3kei n VAL 95 Cb 0.36 0.45 -0.10 0.00 -1.47 0.00 0.00 33.84 33.08 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 -1.60 0.30 0.11 1.34 -4.36 0.15 -4.32 121.20 112.82 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 -2.58 -0.04 0.00 1.25 0.00 0.00 42.46 41.10 3kei s ILE 96 CO 0.00 0.00 0.09 -1.81 0.24 0.00 0.00 174.94 173.46 3kei s ASP 97 N -3.24 5.47 0.02 4.36 1.01 -0.15 -4.21 116.67 119.93 3kei s ASP 97 Ca 0.38 -0.06 0.06 0.00 0.71 0.00 0.00 52.55 53.64 3kei s ASP 97 Cb 0.07 -1.44 -0.02 0.00 1.01 0.00 0.00 42.92 42.54 3kei s ASP 97 CO 0.13 0.14 -0.18 -0.36 0.21 0.00 0.00 175.17 175.11 3kei s PHE 98 N -1.49 1.57 0.91 4.23 0.08 -1.26 -1.25 117.98 120.77 3kei s PHE 98 Ca 0.29 -0.33 -0.11 0.00 0.12 0.00 0.00 56.93 56.90 3kei s PHE 98 Cb -0.11 -0.97 0.14 0.00 -0.57 0.00 0.00 43.02 41.51 3kei s PHE 98 CO 0.22 0.03 1.09 -1.54 -0.10 0.00 0.00 175.22 174.93 3kei s SER 99 N -0.85 3.26 0.73 1.36 1.04 -0.18 -4.93 113.70 114.13 3kei s SER 99 Ca 0.06 1.69 -0.16 0.00 0.48 0.00 0.00 55.95 58.02 3kei s SER 99 Cb -0.08 -2.33 -0.01 0.00 0.10 0.00 0.00 66.02 63.71 3kei s SER 99 CO 0.01 -2.80 0.79 0.29 0.98 0.00 0.00 173.24 172.51 3kei n LYS 100 N -4.01 0.39 -1.72 4.02 4.76 -1.26 -4.48 118.16 115.87 3kei n LYS 100 Ca 0.08 0.18 -0.43 0.00 -2.87 0.00 0.00 58.31 55.27 3kei n LYS 100 Cb 0.54 -2.07 -0.02 0.00 -1.84 0.00 0.00 35.03 31.64 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 -1.48 2.46 0.01 1.97 -0.02 -1.26 -4.62 135.00 132.07 3kei n PRO 101 Ca 0.12 0.88 0.11 0.00 -2.02 0.00 0.00 63.50 62.59 3kei n PRO 101 Cb 0.50 -2.62 0.10 0.00 -0.02 0.00 0.00 33.50 31.46 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 2.18 0.14 -3.72 6.00 1.16 -0.09 -4.94 117.46 118.19 3kei n PHE 102 Ca 0.10 0.04 -0.13 0.00 -1.87 0.00 0.00 57.45 55.59 3kei n PHE 102 Cb 0.35 -0.31 -0.10 0.00 -1.61 0.00 0.00 39.48 37.81 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 -3.08 0.53 -0.08 3.97 0.00 -1.25 -4.99 119.30 114.40 3kei s MET 103 Ca 0.07 0.57 -0.01 0.00 0.00 0.00 0.00 55.69 56.33 3kei s MET 103 Cb 0.16 0.26 -0.03 0.00 0.00 0.00 0.00 34.83 35.21 3kei s MET 103 CO 0.77 -0.07 -0.03 -1.12 0.00 0.00 0.00 175.02 174.57 3kei s SER 104 N 0.14 5.00 0.30 1.11 0.01 -1.26 -1.33 113.70 117.68 3kei s SER 104 Ca -0.01 0.07 -0.19 0.00 1.31 0.00 0.00 55.95 57.13 3kei s SER 104 Cb -0.03 -1.37 0.04 0.00 0.21 0.00 0.00 66.02 64.87 3kei s SER 104 CO 0.01 0.36 0.79 -1.48 0.41 0.00 0.00 173.24 173.34 3kei s LEU 105 N -0.81 -0.13 0.17 2.44 0.05 -0.75 -4.92 118.68 114.73 3kei s LEU 105 Ca 0.12 -0.81 -0.15 0.00 0.05 0.00 0.00 54.13 53.34 3kei s LEU 105 Cb -0.11 2.68 0.02 0.00 -2.05 0.00 0.00 46.19 46.73 3kei s LEU 105 CO 0.02 -1.42 0.44 -0.83 -0.55 0.00 0.00 176.35 174.01 3kei s GLY 106 N -3.01 -0.04 0.42 -3.48 0.00 -1.26 -1.15 107.32 98.80 3kei s GLY 106 Ca 0.14 -0.30 -0.26 0.00 0.00 0.00 0.00 44.72 44.30 3kei s GLY 106 CO 0.08 -0.38 1.36 -0.42 0.00 0.00 0.00 173.10 173.74 3kei s ILE 107 N -3.87 2.39 0.24 0.90 1.01 -1.26 0.08 121.20 120.69 3kei s ILE 107 Ca 0.09 0.35 -0.03 0.00 0.00 0.00 0.00 60.65 61.06 3kei s ILE 107 Cb 0.01 -3.21 -0.02 0.00 0.01 0.00 0.00 42.46 39.24 3kei s ILE 107 CO -0.05 0.05 0.28 -0.94 0.00 0.00 0.00 174.94 174.28 3kei s SER 108 N -0.62 0.35 -0.16 3.58 1.04 0.13 -0.24 113.70 117.78 3kei s SER 108 Ca 0.58 -1.33 -0.03 0.00 0.48 0.00 0.00 55.95 55.66 3kei s SER 108 Cb -0.41 0.49 -0.02 0.00 0.10 0.00 0.00 66.02 66.18 3kei s SER 108 CO 0.52 -1.00 -0.06 -0.63 0.98 0.00 0.00 173.24 173.05 3kei s ILE 109 N -3.91 3.55 -0.16 -1.02 1.01 -1.26 -1.77 121.20 117.64 3kei s ILE 109 Ca 0.34 -0.47 -0.05 0.00 0.00 0.00 0.00 60.65 60.47 3kei s ILE 109 Cb 0.04 -2.55 -0.03 0.00 0.01 0.00 0.00 42.46 39.92 3kei s ILE 109 CO 0.14 0.48 0.02 -0.32 0.00 0.00 0.00 174.94 175.26 3kei s MET 110 N 0.61 3.75 0.16 2.79 -2.45 0.23 -1.69 119.30 122.69 3kei s MET 110 Ca -0.04 -0.42 0.07 0.00 -1.25 0.00 0.00 55.69 54.05 3kei s MET 110 Cb -0.15 -3.05 -0.04 0.00 1.25 0.00 0.00 34.83 32.84 3kei s MET 110 CO 0.03 0.31 -0.14 0.96 1.05 0.00 0.00 175.02 177.23 3kei s ILE 111 N 0.21 1.50 0.21 10.11 -4.36 -0.59 -1.47 121.20 126.82 3kei s ILE 111 Ca 0.01 -1.98 -0.30 0.00 -0.26 0.00 0.00 60.65 58.13 3kei s ILE 111 Cb -0.13 -1.81 -0.08 0.00 1.25 0.00 0.00 42.46 41.69 3kei s ILE 111 CO 0.02 -0.52 1.18 -0.75 0.24 0.00 0.00 174.94 175.10 3kei s LYS 112 N -3.21 4.52 0.07 0.37 2.20 -1.26 -1.56 119.74 120.86 3kei s LYS 112 Ca 0.16 1.88 -0.37 0.00 -0.36 0.00 0.00 55.97 57.28 3kei s LYS 112 Cb -0.02 -3.22 -0.17 0.00 -1.51 0.00 0.00 37.83 32.91 3kei s LYS 112 CO 0.04 -0.03 1.36 1.63 -0.36 0.00 0.00 175.35 178.00 3kei n LYS 113 N 2.12 1.16 -0.02 4.03 5.02 0.10 -1.73 118.16 128.84 3kei n LYS 113 Ca 0.03 0.42 0.00 0.00 -2.02 0.00 0.00 58.31 56.74 3kei n LYS 113 Cb 0.44 -2.06 0.00 0.00 -0.02 0.00 0.00 35.03 33.39 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 2.61 0.36 3.70 0.72 0.00 -1.26 -4.98 105.19 106.36 3kei n GLY 114 Ca 0.19 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.79 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 -2.13 2.75 -1.27 2.61 2.01 -0.70 -4.88 115.64 114.03 3kei s THR 115 Ca 0.00 0.40 -0.11 0.00 0.31 0.00 0.00 61.69 62.29 3kei s THR 115 Cb 0.00 -3.26 -0.06 0.00 0.01 0.00 0.00 72.50 69.19 3kei s THR 115 CO 0.00 0.02 2.43 -0.81 -0.69 0.00 0.00 174.62 175.57 3kei n PRO 116 N 4.77 2.76 -3.81 4.92 -0.04 -1.26 -4.77 135.00 137.57 3kei n PRO 116 Ca 0.15 -2.00 -0.15 0.00 -0.04 0.00 0.00 63.50 61.46 3kei n PRO 116 Cb 0.39 -2.80 -0.16 0.00 -0.04 0.00 0.00 33.50 30.89 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 3.12 -0.02 0.00 0.52 -1.09 -1.26 -5.00 121.20 117.47 3kei s ILE 117 Ca 0.55 0.16 0.00 0.00 -2.23 0.00 0.00 60.65 59.13 3kei s ILE 117 Cb 0.14 -0.09 0.00 0.00 -1.58 0.00 0.00 42.46 40.93 3kei s ILE 117 CO -0.03 0.08 0.36 -1.84 -1.23 0.00 0.00 174.94 172.28 3kei n GLU 118 N 3.99 0.09 -3.70 2.79 0.28 -1.26 -4.94 120.64 117.88 3kei n GLU 118 Ca -0.25 -0.43 -0.07 0.00 -0.16 0.00 0.00 57.16 56.25 3kei n GLU 118 Cb 0.52 -0.71 -0.02 0.00 1.43 0.00 0.00 31.44 32.66 3kei n GLU 118 CO 0.00 0.00 0.00 -1.54 -0.16 0.00 0.00 177.13 175.43 3kei s SER 119 N -0.13 -0.31 0.26 -1.84 1.04 -1.26 -3.15 113.70 108.31 3kei s SER 119 Ca 0.00 -0.36 -0.00 0.00 0.48 0.00 0.00 55.95 56.06 3kei s SER 119 Cb 0.00 0.59 0.35 0.00 0.10 0.00 0.00 66.02 67.06 3kei s SER 119 CO 0.00 -1.06 1.72 0.00 0.98 0.00 0.00 173.24 174.88 3kei h ALA 120 N 2.00 1.06 -0.91 5.32 0.00 -1.95 -2.59 119.26 122.20 3kei h ALA 120 Ca -0.24 -0.32 0.00 0.00 0.00 0.00 0.00 54.91 54.36 3kei h ALA 120 Cb 1.25 -0.15 -0.04 0.00 0.00 0.00 0.00 17.79 18.85 3kei h ALA 120 CO 0.27 0.57 0.58 1.49 0.00 0.00 0.00 179.25 182.16 3kei h GLU 121 N 0.58 1.21 -0.72 0.00 4.57 -1.96 -1.64 114.58 116.63 3kei h GLU 121 Ca 0.10 -0.09 0.03 0.00 -1.18 0.00 0.00 59.36 58.22 3kei h GLU 121 Cb 0.60 -0.26 -0.04 0.00 -0.16 0.00 0.00 28.75 28.88 3kei h GLU 121 CO 0.04 0.82 0.45 -0.44 -1.18 0.00 0.00 179.01 178.70 3kei h ASP 122 N 1.24 0.75 -0.24 1.04 3.45 -1.87 -2.09 116.42 118.70 3kei h ASP 122 Ca 0.33 -0.00 -0.02 0.00 0.43 0.00 0.00 57.03 57.76 3kei h ASP 122 Cb -0.11 -0.17 -0.01 0.00 -0.56 0.00 0.00 39.33 38.49 3kei h ASP 122 CO -0.07 0.52 0.06 -0.07 -1.57 0.00 0.00 179.24 178.11 3kei h LEU 123 N 0.89 0.36 -1.24 1.55 3.38 -1.12 -3.30 115.31 115.84 3kei h LEU 123 Ca 0.29 -0.23 -0.07 0.00 0.09 0.00 0.00 57.88 57.96 3kei h LEU 123 Cb 0.01 -0.10 -0.01 0.00 0.09 0.00 0.00 40.66 40.65 3kei h LEU 123 CO -0.10 0.49 -0.32 0.00 0.09 0.00 0.00 178.44 178.60 3kei h ALA 124 N 0.88 1.16 -0.28 1.53 0.00 -1.01 -2.98 119.26 118.55 3kei h ALA 124 Ca 0.08 -0.29 0.00 0.00 0.00 0.00 0.00 54.91 54.70 3kei h ALA 124 Cb 0.27 -0.05 0.00 0.00 0.00 0.00 0.00 17.79 18.01 3kei h ALA 124 CO 0.00 0.40 0.00 0.36 0.00 0.00 0.00 179.25 180.01 3kei n LYS 125 N -3.70 1.81 -4.29 0.00 2.85 -0.81 -4.91 118.16 109.11 3kei n LYS 125 Ca -0.01 -1.24 -0.16 0.00 -1.05 0.00 0.00 58.31 55.85 3kei n LYS 125 Cb 0.42 -1.33 -0.10 0.00 -0.65 0.00 0.00 35.03 33.37 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 -1.63 1.38 0.00 -1.58 1.03 -1.13 -5.07 119.66 112.67 3kei s GLN 126 Ca 0.28 -1.75 0.00 0.00 0.04 0.00 0.00 55.36 53.93 3kei s GLN 126 Cb 0.15 -0.11 0.00 0.00 0.03 0.00 0.00 33.01 33.08 3kei s GLN 126 CO 0.21 -0.34 0.00 0.25 -2.54 0.00 0.00 175.29 172.87 3kei n THR 127 N -0.43 0.00 -0.07 3.63 -2.24 -1.26 -4.83 114.28 109.07 3kei n THR 127 Ca 0.01 -0.18 -0.06 0.00 -2.27 0.00 0.00 64.05 61.54 3kei n THR 127 Cb 0.66 0.89 0.12 0.00 -2.10 0.00 0.00 70.33 69.89 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 0.73 -5.00 -0.78 5.08 -1.97 -3.41 114.58 109.23 3kei h GLU 128 Ca 0.00 -0.27 -0.64 0.00 -1.00 0.00 0.00 59.36 57.45 3kei h GLU 128 Cb 0.00 -0.04 -0.20 0.00 0.50 0.00 0.00 28.75 29.01 3kei h GLU 128 CO 0.00 0.87 -0.58 0.42 -1.00 0.00 0.00 179.01 178.72 3kei s ILE 129 N -4.65 4.69 0.62 3.13 1.01 -1.26 -4.89 121.20 119.85 3kei s ILE 129 Ca -0.09 -0.05 -0.11 0.00 0.00 0.00 0.00 60.65 60.40 3kei s ILE 129 Cb 0.13 -3.19 -0.04 0.00 0.01 0.00 0.00 42.46 39.38 3kei s ILE 129 CO 0.82 0.34 1.03 0.00 0.00 0.00 0.00 174.94 177.13 3kei s ALA 130 N 1.42 3.09 -0.13 9.38 0.00 -0.06 -4.89 121.76 130.58 3kei s ALA 130 Ca 0.06 -0.11 -0.26 0.00 0.00 0.00 0.00 51.96 51.66 3kei s ALA 130 Cb -0.15 -3.07 0.06 0.00 0.00 0.00 0.00 23.12 19.96 3kei s ALA 130 CO 0.05 -0.71 0.63 1.52 0.00 0.00 0.00 175.76 177.25 3kei s TYR 131 N -3.18 -0.63 0.00 0.00 1.13 -1.26 -0.34 117.35 113.07 3kei s TYR 131 Ca 0.55 1.30 0.00 0.00 -1.41 0.00 0.00 57.07 57.51 3kei s TYR 131 Cb -0.11 0.30 0.00 0.00 -1.10 0.00 0.00 41.96 41.05 3kei s TYR 131 CO 0.54 -0.47 0.00 0.41 -2.51 0.00 0.00 175.55 173.52 3kei n GLY 132 N 1.73 3.14 3.21 5.49 0.00 -1.09 -4.82 105.19 112.85 3kei n GLY 132 Ca -0.17 -1.26 -0.13 0.00 0.00 0.00 0.00 46.02 44.46 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 -2.45 0.02 0.50 2.61 -4.23 -1.24 -0.91 115.64 109.94 3kei s THR 133 Ca 0.00 -2.00 -0.20 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 71.26 3kei s THR 133 CO 0.00 0.00 1.06 0.54 -0.54 0.00 0.00 174.62 175.68 3kei s VAL 134 N -4.07 3.68 0.69 2.29 0.11 -1.26 -1.73 120.40 120.11 3kei s VAL 134 Ca 0.39 1.03 -0.12 0.00 -2.93 0.00 0.00 61.98 60.35 3kei s VAL 134 Cb 0.06 -3.42 0.01 0.00 -1.53 0.00 0.00 36.38 31.51 3kei s VAL 134 CO 0.14 -0.25 1.07 -1.81 -3.33 0.00 0.00 175.10 170.92 3kei s ASP 135 N -2.01 5.28 -1.57 3.54 1.01 0.17 -4.33 116.67 118.75 3kei s ASP 135 Ca 0.68 1.70 -0.03 0.00 0.71 0.00 0.00 52.55 55.61 3kei s ASP 135 Cb -0.18 -2.51 0.00 0.00 1.01 0.00 0.00 42.92 41.25 3kei s ASP 135 CO 0.23 -1.51 0.38 -1.20 0.21 0.00 0.00 175.17 173.28 3kei n SER 136 N -3.00 -5.88 -2.06 0.27 7.64 -1.26 -4.78 113.62 104.55 3kei n SER 136 Ca 0.08 -0.19 -0.09 0.00 1.01 0.00 0.00 58.87 59.69 3kei n SER 136 Cb 0.53 -4.77 -0.03 0.00 -1.01 0.00 0.00 64.21 58.93 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 -1.33 3.58 0.17 0.23 0.00 -1.26 -1.46 105.19 105.12 3kei n GLY 137 Ca -0.15 -1.81 0.04 0.00 0.00 0.00 0.00 46.02 44.10 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 0.84 0.00 -0.11 1.61 4.64 -1.93 -3.04 113.55 115.57 3kei h SER 138 Ca -0.11 0.00 -0.05 0.00 -0.47 0.00 0.00 61.79 61.16 3kei h SER 138 Cb 0.52 0.00 -0.00 0.00 -0.31 0.00 0.00 62.40 62.60 3kei h SER 138 CO 0.16 0.45 -0.12 0.74 -0.87 0.00 0.00 176.83 177.19 3kei h THR 139 N 0.00 1.36 -0.44 2.95 2.02 -1.96 -0.18 112.91 116.65 3kei h THR 139 Ca -0.00 -1.28 0.02 0.00 0.77 0.00 0.00 66.41 65.92 3kei h THR 139 Cb 1.09 1.94 -0.03 0.00 -1.74 0.00 0.00 68.15 69.41 3kei h THR 139 CO 0.06 0.37 0.27 0.50 0.37 0.00 0.00 175.52 177.08 3kei h LYS 140 N -0.12 0.52 -0.96 6.66 3.64 -1.75 -2.62 116.57 121.94 3kei h LYS 140 Ca 0.02 -0.03 0.01 0.00 -1.27 0.00 0.00 60.65 59.38 3kei h LYS 140 Cb 0.64 -0.12 -0.05 0.00 -0.41 0.00 0.00 32.23 32.29 3kei h LYS 140 CO 0.03 0.35 0.63 1.49 -2.27 0.00 0.00 179.45 179.68 3kei h GLU 141 N 0.54 1.25 -0.44 1.90 4.57 -1.44 -1.90 114.58 119.06 3kei h GLU 141 Ca 0.18 -0.08 0.09 0.00 -1.18 0.00 0.00 59.36 58.37 3kei h GLU 141 Cb 0.00 -0.28 -0.08 0.00 -0.16 0.00 0.00 28.75 28.23 3kei h GLU 141 CO -0.08 0.83 -0.11 0.35 -1.18 0.00 0.00 179.01 178.82 3kei h PHE 142 N 1.29 -0.23 -0.38 0.92 3.57 -0.65 -0.56 116.94 120.90 3kei h PHE 142 Ca 0.35 0.04 -0.15 0.00 3.53 0.00 0.00 57.97 61.74 3kei h PHE 142 Cb -0.13 0.17 -0.01 0.00 2.79 0.00 0.00 35.95 38.77 3kei h PHE 142 CO -0.00 -0.19 -0.35 0.74 -2.23 0.00 0.00 178.31 176.28 3kei h PHE 143 N 0.00 1.09 -0.91 0.41 0.04 -1.30 -1.55 116.94 114.72 3kei h PHE 143 Ca 0.21 -0.32 0.13 0.00 2.80 0.00 0.00 57.97 60.79 3kei h PHE 143 Cb 0.32 -0.23 -0.09 0.00 2.20 0.00 0.00 35.95 38.15 3kei h PHE 143 CO -0.38 1.14 0.53 -0.09 -0.60 0.00 0.00 178.31 178.91 3kei h ARG 144 N 0.73 0.78 0.00 1.51 2.43 -0.87 -3.13 114.38 115.83 3kei h ARG 144 Ca 0.06 -0.05 0.00 0.00 -0.81 0.00 0.00 59.98 59.19 3kei h ARG 144 Cb 0.95 -0.18 0.00 0.00 -0.42 0.00 0.00 29.97 30.32 3kei h ARG 144 CO 0.09 0.51 -1.18 0.54 -1.51 0.00 0.00 179.97 178.43 3kei n ARG 145 N -4.75 0.28 -2.03 0.20 5.12 -0.26 -4.98 116.66 110.25 3kei n ARG 145 Ca 0.18 -0.04 -0.41 0.00 -1.93 0.00 0.00 57.85 55.65 3kei n ARG 145 Cb 0.39 -1.56 -0.02 0.00 -1.16 0.00 0.00 32.46 30.11 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 -3.81 6.66 -0.03 0.55 0.15 -0.59 -4.92 113.70 111.71 3kei s SER 146 Ca 0.03 2.77 0.11 0.00 0.70 0.00 0.00 55.95 59.56 3kei s SER 146 Cb 0.15 -2.65 0.33 0.00 -1.71 0.00 0.00 66.02 62.14 3kei s SER 146 CO 0.83 -0.64 1.27 0.29 1.20 0.00 0.00 173.24 176.20 3kei n LYS 147 N 0.98 2.89 -2.71 5.44 4.76 -1.26 -4.57 118.16 123.68 3kei n LYS 147 Ca 0.01 -2.15 -0.42 0.00 -2.87 0.00 0.00 58.31 52.88 3kei n LYS 147 Cb 0.41 -1.34 -0.03 0.00 -1.84 0.00 0.00 35.03 32.23 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 -1.26 4.79 0.20 -0.18 1.01 -1.26 -4.94 121.20 119.57 3kei s ILE 148 Ca 0.25 1.99 -0.18 0.00 0.00 0.00 0.00 60.65 62.72 3kei s ILE 148 Cb 0.15 -4.29 0.19 0.00 0.01 0.00 0.00 42.46 38.51 3kei s ILE 148 CO 0.14 0.01 1.59 0.00 0.00 0.00 0.00 174.94 176.68 3kei h ALA 149 N 7.12 0.14 -0.68 9.38 0.00 -1.99 0.73 119.26 133.97 3kei h ALA 149 Ca -0.31 0.21 0.04 0.00 0.00 0.00 0.00 54.91 54.85 3kei h ALA 149 Cb 1.14 0.72 -0.05 0.00 0.00 0.00 0.00 17.79 19.61 3kei h ALA 149 CO 0.85 -0.59 0.41 -0.24 0.00 0.00 0.00 179.25 179.69 3kei h VAL 150 N -0.10 1.05 -0.00 0.00 3.04 -1.98 -1.74 116.25 116.51 3kei h VAL 150 Ca 0.28 -0.27 -0.16 0.00 -1.01 0.00 0.00 66.70 65.53 3kei h VAL 150 Cb 0.55 0.19 -0.02 0.00 -2.01 0.00 0.00 31.29 30.00 3kei h VAL 150 CO -0.72 0.14 -0.77 1.88 -1.01 0.00 0.00 177.57 177.09 3kei h TYR 151 N 0.79 0.04 -0.69 3.17 0.05 -1.60 -2.33 116.97 116.41 3kei h TYR 151 Ca 0.28 -0.02 -0.04 0.00 0.05 0.00 0.00 58.73 59.00 3kei h TYR 151 Cb 0.08 -0.01 -0.03 0.00 1.01 0.00 0.00 36.73 37.78 3kei h TYR 151 CO -0.05 0.79 0.28 0.93 -1.05 0.00 0.00 178.16 179.06 3kei h GLU 152 N 0.02 1.03 -0.51 4.88 5.08 -0.61 -0.89 114.58 123.58 3kei h GLU 152 Ca -0.01 -0.18 -0.05 0.00 -1.00 0.00 0.00 59.36 58.11 3kei h GLU 152 Cb 1.36 -0.17 -0.02 0.00 0.50 0.00 0.00 28.75 30.42 3kei h GLU 152 CO 0.10 0.85 0.11 -0.22 -1.00 0.00 0.00 179.01 178.86 3kei h LYS 153 N 0.98 0.83 -0.63 2.33 3.64 -1.15 -1.18 116.57 121.38 3kei h LYS 153 Ca 0.23 -0.21 -0.04 0.00 -1.27 0.00 0.00 60.65 59.36 3kei h LYS 153 Cb 0.20 -0.10 -0.03 0.00 -0.41 0.00 0.00 32.23 31.89 3kei h LYS 153 CO -0.02 0.80 0.23 0.52 -2.27 0.00 0.00 179.45 178.71 3kei h MET 154 N 0.71 0.96 -0.27 1.90 2.86 -1.25 -2.22 114.93 117.62 3kei h MET 154 Ca 0.16 -0.19 -0.02 0.00 -2.06 0.00 0.00 59.70 57.60 3kei h MET 154 Cb 0.35 -0.15 -0.01 0.00 0.06 0.00 0.00 31.60 31.85 3kei h MET 154 CO 0.00 0.82 0.11 2.35 1.06 0.00 0.00 176.91 181.26 3kei h TRP 155 N 0.89 0.41 -0.92 -0.22 2.91 -1.04 -0.57 115.95 117.41 3kei h TRP 155 Ca 0.21 -0.03 0.06 0.00 1.13 0.00 0.00 58.89 60.26 3kei h TRP 155 Cb 0.24 -0.12 -0.06 0.00 -0.51 0.00 0.00 29.16 28.70 3kei h TRP 155 CO 0.02 0.41 0.59 1.15 -1.03 0.00 0.00 178.44 179.57 3kei h THR 156 N 0.28 1.08 0.48 2.65 2.02 -1.05 0.36 112.91 118.74 3kei h THR 156 Ca 0.09 -0.37 -0.02 0.00 0.77 0.00 0.00 66.41 66.88 3kei h THR 156 Cb 0.18 -0.09 0.00 0.00 -1.74 0.00 0.00 68.15 66.50 3kei h THR 156 CO -0.01 0.20 -0.23 0.22 0.37 0.00 0.00 175.52 176.07 3kei h TYR 157 N 1.08 -0.60 -0.93 3.16 3.20 -1.30 -3.31 116.97 118.27 3kei h TYR 157 Ca 0.39 -0.01 -0.01 0.00 3.14 0.00 0.00 58.73 62.24 3kei h TYR 157 Cb 0.14 0.20 -0.04 0.00 1.54 0.00 0.00 36.73 38.56 3kei h TYR 157 CO -0.02 -0.28 0.55 0.52 -1.64 0.00 0.00 178.16 177.29 3kei h MET 158 N -0.90 1.27 -0.49 1.82 2.86 -0.68 -1.65 114.93 117.16 3kei h MET 158 Ca -0.07 -0.12 0.04 0.00 -2.06 0.00 0.00 59.70 57.49 3kei h MET 158 Cb 0.59 -0.26 -0.03 0.00 0.06 0.00 0.00 31.60 31.96 3kei h MET 158 CO 0.11 0.89 0.32 -0.09 1.06 0.00 0.00 176.91 179.21 3kei h ARG 159 N 1.28 0.49 -0.14 1.72 2.43 -1.06 -2.91 114.38 116.18 3kei h ARG 159 Ca 0.33 -0.03 0.00 0.00 -0.81 0.00 0.00 59.98 59.47 3kei h ARG 159 Cb -0.04 -0.11 0.00 0.00 -0.42 0.00 0.00 29.97 29.40 3kei h ARG 159 CO -0.06 0.33 0.00 0.43 -1.51 0.00 0.00 179.97 179.16 3kei n SER 160 N -4.48 2.32 -4.77 -3.80 7.64 -1.03 -5.04 113.62 104.47 3kei n SER 160 Ca 0.06 -1.67 -0.40 0.00 1.01 0.00 0.00 58.87 57.87 3kei n SER 160 Cb 0.17 -0.09 -0.01 0.00 -1.01 0.00 0.00 64.21 63.27 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 -0.96 3.31 -0.07 -0.43 0.00 -0.65 -5.04 121.76 117.92 3kei s ALA 161 Ca 0.17 1.21 0.01 0.00 0.00 0.00 0.00 51.96 53.35 3kei s ALA 161 Cb 0.10 -3.47 0.02 0.00 0.00 0.00 0.00 23.12 19.77 3kei s ALA 161 CO 0.15 -0.75 -0.07 -1.21 0.00 0.00 0.00 175.76 173.88 3kei s GLU 162 N -2.14 1.20 0.94 0.00 0.41 -1.26 -3.68 118.70 114.17 3kei s GLU 162 Ca 0.55 -0.20 -0.12 0.00 -0.41 0.00 0.00 54.97 54.79 3kei s GLU 162 Cb -0.38 -1.16 0.15 0.00 -1.78 0.00 0.00 34.13 30.97 3kei s GLU 162 CO 0.49 -0.10 1.09 -1.25 -0.49 0.00 0.00 175.26 175.00 3kei s PRO 163 N 1.09 0.90 0.26 0.39 0.04 -1.26 -5.06 135.00 131.37 3kei s PRO 163 Ca -0.08 0.66 -0.29 0.00 0.04 0.00 0.00 61.00 61.33 3kei s PRO 163 Cb -0.14 -1.78 -0.14 0.00 0.04 0.00 0.00 34.50 32.47 3kei s PRO 163 CO -0.01 -2.44 1.08 0.45 0.04 0.00 0.00 177.00 176.12 3kei n SER 164 N -4.00 1.46 -0.41 6.66 2.88 -1.24 -4.90 113.62 114.06 3kei n SER 164 Ca 0.06 1.17 0.11 0.00 -1.33 0.00 0.00 58.87 58.88 3kei n SER 164 Cb 0.56 -1.29 0.08 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 0.67 0.00 -3.40 2.46 0.24 -1.26 -4.93 118.33 112.11 3kei n VAL 165 Ca 0.11 -0.22 -0.38 0.00 -2.04 0.00 0.00 64.34 61.82 3kei n VAL 165 Cb 0.30 1.05 -0.06 0.00 -1.47 0.00 0.00 33.84 33.66 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 -2.51 3.60 0.16 6.34 0.08 -1.26 -3.60 117.98 120.78 3kei s PHE 166 Ca 0.19 0.91 0.06 0.00 0.12 0.00 0.00 56.93 58.21 3kei s PHE 166 Cb 0.18 -2.43 -0.04 0.00 -0.57 0.00 0.00 43.02 40.16 3kei s PHE 166 CO 0.58 0.36 0.03 0.95 -0.10 0.00 0.00 175.22 177.04 3kei s THR 167 N -0.07 3.95 0.22 0.64 -4.23 -0.71 -4.88 115.64 110.55 3kei s THR 167 Ca 0.24 -1.30 -0.03 0.00 -1.18 0.00 0.00 61.69 59.43 3kei s THR 167 Cb -0.16 -2.98 0.01 0.00 1.34 0.00 0.00 72.50 70.71 3kei s THR 167 CO 0.11 -0.09 1.60 0.03 -0.54 0.00 0.00 174.62 175.73 3kei h ARG 168 N 2.69 0.65 -4.94 3.99 2.47 -1.94 0.52 114.38 117.82 3kei h ARG 168 Ca -0.47 -0.30 -0.32 0.00 -1.26 0.00 0.00 59.98 57.62 3kei h ARG 168 Cb 1.20 -0.01 -0.15 0.00 -1.65 0.00 0.00 29.97 29.37 3kei h ARG 168 CO 0.60 0.90 -0.68 0.95 0.56 0.00 0.00 179.97 182.30 3kei s THR 169 N -4.38 0.91 0.15 2.04 -4.23 -1.26 -4.57 115.64 104.30 3kei s THR 169 Ca -0.08 -2.01 -0.16 0.00 -1.18 0.00 0.00 61.69 58.25 3kei s THR 169 Cb 0.13 -2.08 0.01 0.00 1.34 0.00 0.00 72.50 71.90 3kei s THR 169 CO 0.83 -0.54 1.80 0.74 -0.54 0.00 0.00 174.62 176.91 3kei h THR 170 N 2.67 1.06 -0.97 3.99 2.02 -1.96 -2.82 112.91 116.90 3kei h THR 170 Ca -0.37 -0.16 0.10 0.00 0.77 0.00 0.00 66.41 66.75 3kei h THR 170 Cb 1.20 0.55 -0.07 0.00 -1.74 0.00 0.00 68.15 68.08 3kei h THR 170 CO 0.64 0.09 0.62 0.00 0.37 0.00 0.00 175.52 177.23 3kei h ALA 171 N 1.16 1.54 -0.78 6.16 0.00 -1.97 -0.58 119.26 124.79 3kei h ALA 171 Ca 0.15 0.00 -0.04 0.00 0.00 0.00 0.00 54.91 55.02 3kei h ALA 171 Cb -0.02 -0.23 -0.03 0.00 0.00 0.00 0.00 17.79 17.51 3kei h ALA 171 CO -0.06 0.26 0.32 1.49 0.00 0.00 0.00 179.25 181.26 3kei h GLU 172 N 1.00 1.15 -0.29 0.00 4.81 -1.94 -0.55 114.58 118.75 3kei h GLU 172 Ca 0.45 -0.20 -0.03 0.00 -0.13 0.00 0.00 59.36 59.45 3kei h GLU 172 Cb 0.39 -0.19 -0.01 0.00 0.63 0.00 0.00 28.75 29.57 3kei h GLU 172 CO -0.21 0.92 0.05 0.78 -0.73 0.00 0.00 179.01 179.82 3kei h GLY 173 N 1.15 0.52 0.98 1.92 0.00 -0.92 -1.78 103.07 104.93 3kei h GLY 173 Ca 0.26 -0.34 0.00 0.00 0.00 0.00 0.00 47.33 47.25 3kei h GLY 173 CO -0.02 0.32 0.06 -2.08 0.00 0.00 0.00 176.54 174.82 3kei h VAL 174 N 0.31 1.05 -0.98 4.60 2.07 -1.01 -1.38 116.25 120.91 3kei h VAL 174 Ca 0.09 -0.11 0.06 0.00 0.82 0.00 0.00 66.70 67.56 3kei h VAL 174 Cb 0.33 0.95 -0.07 0.00 -1.52 0.00 0.00 31.29 30.98 3kei h VAL 174 CO 0.01 0.04 0.63 0.00 0.02 0.00 0.00 177.57 178.26 3kei h ALA 175 N 1.01 1.35 -0.59 1.67 0.00 -1.10 -1.24 119.26 120.36 3kei h ALA 175 Ca 0.03 -0.02 -0.02 0.00 0.00 0.00 0.00 54.91 54.90 3kei h ALA 175 Cb 0.02 -0.30 -0.03 0.00 0.00 0.00 0.00 17.79 17.48 3kei h ALA 175 CO -0.01 0.42 0.29 -0.09 0.00 0.00 0.00 179.25 179.86 3kei h ARG 176 N 1.14 0.85 -0.03 0.00 2.43 -0.95 -0.70 114.38 117.13 3kei h ARG 176 Ca 0.42 -0.12 0.01 0.00 -0.81 0.00 0.00 59.98 59.48 3kei h ARG 176 Cb 0.16 -0.15 -0.02 0.00 -0.42 0.00 0.00 29.97 29.54 3kei h ARG 176 CO -0.17 0.68 -0.06 0.28 -1.51 0.00 0.00 179.97 179.19 3kei h VAL 177 N 0.81 0.85 -0.12 0.20 2.07 -0.76 -2.42 116.25 116.87 3kei h VAL 177 Ca 0.20 0.00 -0.04 0.00 0.82 0.00 0.00 66.70 67.68 3kei h VAL 177 Cb 0.11 0.85 -0.01 0.00 -1.52 0.00 0.00 31.29 30.71 3kei h VAL 177 CO -0.03 0.00 -0.11 0.03 0.02 0.00 0.00 177.57 177.48 3kei h ARG 178 N -0.08 0.18 -0.00 1.57 3.08 -0.94 -3.04 114.38 115.15 3kei h ARG 178 Ca 0.03 -0.04 0.00 0.00 0.07 0.00 0.00 59.98 60.05 3kei h ARG 178 Cb 0.13 -0.03 0.00 0.00 0.08 0.00 0.00 29.97 30.15 3kei h ARG 178 CO -0.08 0.31 -0.60 1.63 -1.07 0.00 0.00 179.97 180.16 3kei n LYS 179 N -4.31 0.15 -0.30 0.04 5.02 -0.29 -4.49 118.16 113.98 3kei n LYS 179 Ca -0.01 -0.10 0.12 0.00 -2.02 0.00 0.00 58.31 56.30 3kei n LYS 179 Cb 0.24 -1.50 0.29 0.00 -0.02 0.00 0.00 35.03 34.04 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 -1.33 3.76 -2.98 4.39 7.64 -0.92 -4.97 113.62 119.21 3kei n SER 180 Ca 0.06 -2.00 -0.22 0.00 1.01 0.00 0.00 58.87 57.72 3kei n SER 180 Cb 0.34 -0.40 0.04 0.00 -1.01 0.00 0.00 64.21 63.18 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 1.60 -5.03 -0.64 1.43 5.02 -1.26 -1.55 118.16 117.73 3kei n LYS 181 Ca 0.23 0.89 0.00 0.00 -2.02 0.00 0.00 58.31 57.40 3kei n LYS 181 Cb 0.62 -5.71 0.00 0.00 -0.02 0.00 0.00 35.03 29.92 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 -1.55 0.98 0.72 0.72 0.00 -1.26 -4.93 105.19 99.88 3kei n GLY 182 Ca -0.10 0.00 0.11 0.00 0.00 0.00 0.00 46.02 46.02 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 -2.00 1.95 -4.02 1.61 4.76 -0.59 -4.80 118.16 115.07 3kei n LYS 183 Ca 0.00 -1.43 -0.17 0.00 -2.87 0.00 0.00 58.31 53.84 3kei n LYS 183 Cb 0.00 -1.42 -0.16 0.00 -1.84 0.00 0.00 35.03 31.61 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 -1.70 0.42 0.16 2.13 2.19 -1.26 -0.88 117.98 119.04 3kei s PHE 184 Ca 0.33 -0.06 0.09 0.00 0.33 0.00 0.00 56.93 57.63 3kei s PHE 184 Cb 0.19 -0.43 -0.04 0.00 -1.31 0.00 0.00 43.02 41.42 3kei s PHE 184 CO 0.27 -0.12 -0.16 0.00 1.83 0.00 0.00 175.22 177.04 3kei s ALA 185 N 0.77 2.75 -0.06 11.12 0.00 0.54 -4.55 121.76 132.32 3kei s ALA 185 Ca -0.08 -1.46 0.04 0.00 0.00 0.00 0.00 51.96 50.46 3kei s ALA 185 Cb -0.12 -0.61 0.00 0.00 0.00 0.00 0.00 23.12 22.39 3kei s ALA 185 CO -0.01 0.51 -0.18 0.12 0.00 0.00 0.00 175.76 176.20 3kei s PHE 186 N -1.47 1.91 -0.33 0.00 5.99 -0.54 -2.69 117.98 120.86 3kei s PHE 186 Ca 0.21 -0.66 -0.15 0.00 0.00 0.00 0.00 56.93 56.33 3kei s PHE 186 Cb -0.09 -1.31 -0.02 0.00 0.00 0.00 0.00 43.02 41.61 3kei s PHE 186 CO 0.12 -0.26 0.36 -0.51 -0.00 0.00 0.00 175.22 174.93 3kei s LEU 187 N 0.27 4.37 0.22 6.12 1.43 -0.09 -0.60 118.68 130.39 3kei s LEU 187 Ca -0.10 -0.15 -0.13 0.00 -1.03 0.00 0.00 54.13 52.71 3kei s LEU 187 Cb -0.14 -2.35 0.00 0.00 0.03 0.00 0.00 46.19 43.73 3kei s LEU 187 CO 0.04 -0.31 0.46 -1.48 0.23 0.00 0.00 176.35 175.29 3kei s LEU 188 N 2.03 0.37 0.44 1.79 2.34 -0.73 -4.41 118.68 120.50 3kei s LEU 188 Ca 0.12 -0.83 -0.24 0.00 0.06 0.00 0.00 54.13 53.25 3kei s LEU 188 Cb -0.16 1.76 -0.08 0.00 -0.56 0.00 0.00 46.19 47.15 3kei s LEU 188 CO 0.11 -1.09 1.18 -1.61 -1.06 0.00 0.00 176.35 173.89 3kei s GLU 189 N -3.98 3.87 0.35 1.48 2.02 -1.26 0.17 118.70 121.36 3kei s GLU 189 Ca 0.19 1.82 0.10 0.00 0.02 0.00 0.00 54.97 57.10 3kei s GLU 189 Cb -0.00 -2.52 0.84 0.00 0.10 0.00 0.00 34.13 32.55 3kei s GLU 189 CO 0.05 -0.47 1.84 0.66 0.02 0.00 0.00 175.26 177.36 3kei h SER 190 N 2.29 0.65 0.02 -0.19 4.64 -0.65 -1.77 113.55 118.54 3kei h SER 190 Ca -0.49 0.06 0.02 0.00 -0.47 0.00 0.00 61.79 60.90 3kei h SER 190 Cb 1.24 -0.07 -0.02 0.00 -0.31 0.00 0.00 62.40 63.24 3kei h SER 190 CO 0.61 0.29 -0.10 0.71 -0.87 0.00 0.00 176.83 177.47 3kei h THR 191 N 0.67 0.74 -0.28 2.95 1.35 -1.91 0.20 112.91 116.64 3kei h THR 191 Ca 0.49 0.00 -0.13 0.00 -0.55 0.00 0.00 66.41 66.22 3kei h THR 191 Cb 0.86 0.74 -0.01 0.00 -1.73 0.00 0.00 68.15 68.01 3kei h THR 191 CO -0.25 0.00 -0.35 0.24 -0.25 0.00 0.00 175.52 174.91 3kei h MET 192 N -0.18 0.61 0.04 4.72 2.86 -1.74 -2.17 114.93 119.07 3kei h MET 192 Ca 0.03 -0.29 -0.00 0.00 -2.06 0.00 0.00 59.70 57.38 3kei h MET 192 Cb 0.22 -0.01 0.00 0.00 0.06 0.00 0.00 31.60 31.88 3kei h MET 192 CO -0.09 0.88 -0.02 -0.97 1.06 0.00 0.00 176.91 177.77 3kei h ASN 193 N 0.51 -0.04 -0.81 1.22 -0.73 -1.05 -2.09 115.58 112.60 3kei h ASN 193 Ca 0.05 -0.09 0.02 0.00 1.87 0.00 0.00 56.30 58.15 3kei h ASN 193 Cb 0.85 0.01 -0.04 0.00 0.27 0.00 0.00 38.32 39.41 3kei h ASN 193 CO 0.07 0.07 0.53 -0.33 -0.37 0.00 0.00 177.43 177.41 3kei h GLU 194 N -0.15 1.01 0.38 6.67 5.08 -0.56 -1.88 114.58 125.15 3kei h GLU 194 Ca -0.00 -0.06 -0.02 0.00 -1.00 0.00 0.00 59.36 58.28 3kei h GLU 194 Cb 0.13 -0.23 0.00 0.00 0.50 0.00 0.00 28.75 29.16 3kei h GLU 194 CO 0.01 0.67 -0.18 -0.92 -1.00 0.00 0.00 179.01 177.59 3kei h TYR 195 N 1.04 -0.48 -0.84 4.33 3.20 -1.24 -3.16 116.97 119.82 3kei h TYR 195 Ca 0.31 -0.01 0.09 0.00 3.14 0.00 0.00 58.73 62.26 3kei h TYR 195 Cb -0.04 0.16 -0.06 0.00 1.54 0.00 0.00 36.73 38.33 3kei h TYR 195 CO -0.00 -0.20 0.55 1.15 -1.64 0.00 0.00 178.16 178.02 3kei h THR 196 N -0.70 0.97 -0.01 1.81 2.02 -1.17 -1.24 112.91 114.60 3kei h THR 196 Ca -0.05 -0.29 0.00 0.00 0.77 0.00 0.00 66.41 66.85 3kei h THR 196 Cb 0.49 0.07 -0.00 0.00 -1.74 0.00 0.00 68.15 66.97 3kei h THR 196 CO 0.09 0.15 0.02 -0.08 0.37 0.00 0.00 175.52 176.07 3kei h GLU 197 N 0.83 0.00 -0.46 6.66 4.81 -1.31 -1.89 114.58 123.22 3kei h GLU 197 Ca 0.39 0.00 -0.07 0.00 -0.13 0.00 0.00 59.36 59.55 3kei h GLU 197 Cb 0.39 0.00 -0.04 0.00 0.63 0.00 0.00 28.75 29.73 3kei h GLU 197 CO -0.15 0.00 0.06 1.04 -0.73 0.00 0.00 179.01 179.22 3kei n GLN 198 N -3.53 3.46 -5.22 1.92 1.13 -0.47 -4.80 117.38 109.87 3kei n GLN 198 Ca -0.03 -3.01 -0.31 0.00 -1.94 0.00 0.00 57.00 51.70 3kei n GLN 198 Cb 0.10 -2.03 -0.15 0.00 0.11 0.00 0.00 30.24 28.26 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 -2.90 2.25 0.54 -1.09 1.81 -0.71 -0.17 118.95 118.67 3kei s ARG 199 Ca 0.48 -0.88 -0.22 0.00 -1.72 0.00 0.00 55.73 53.40 3kei s ARG 199 Cb 0.39 -2.13 -0.05 0.00 -0.45 0.00 0.00 34.95 32.71 3kei s ARG 199 CO 0.11 0.55 1.33 1.63 -0.68 0.00 0.00 175.30 178.23 3kei n LYS 200 N 2.49 1.67 -0.30 3.54 5.02 -1.26 -1.31 118.16 128.01 3kei n LYS 200 Ca -0.16 0.61 -0.01 0.00 -2.02 0.00 0.00 58.31 56.73 3kei n LYS 200 Cb 0.51 -2.53 0.10 0.00 -0.02 0.00 0.00 35.03 33.09 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 -0.91 1.90 -3.68 1.97 -0.04 -1.26 -4.96 135.00 128.02 3kei n PRO 201 Ca 0.10 -0.92 -0.24 0.00 -0.04 0.00 0.00 63.50 62.40 3kei n PRO 201 Cb 0.44 -1.60 0.06 0.00 -0.04 0.00 0.00 33.50 32.36 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 -2.99 2.21 -4.51 0.00 5.75 -1.26 -4.99 116.55 110.76 3kei n ASP 203 Ca -0.06 -1.61 -0.24 0.00 -0.01 0.00 0.00 54.79 52.87 3kei n ASP 203 Cb 0.58 -0.06 -0.09 0.00 -1.03 0.00 0.00 41.12 40.52 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 -0.98 2.72 0.08 2.12 -4.23 -1.26 -0.72 115.64 113.37 3kei s THR 204 Ca 0.16 -2.25 -0.21 0.00 -1.18 0.00 0.00 61.69 58.21 3kei s THR 204 Cb 0.10 -2.43 0.05 0.00 1.34 0.00 0.00 72.50 71.57 3kei s THR 204 CO 0.15 -0.37 0.49 0.00 -0.54 0.00 0.00 174.62 174.35 3kei s MET 205 N -3.48 1.06 0.04 3.99 0.23 -0.60 -4.64 119.30 115.89 3kei s MET 205 Ca 0.30 -0.38 -0.26 0.00 -1.03 0.00 0.00 55.69 54.32 3kei s MET 205 Cb -0.06 0.48 -0.05 0.00 -1.53 0.00 0.00 34.83 33.67 3kei s MET 205 CO 0.16 -0.40 0.80 0.21 -2.03 0.00 0.00 175.02 173.76 3kei s LYS 206 N -2.89 4.52 0.03 3.16 2.20 -1.26 -1.54 119.74 123.96 3kei s LYS 206 Ca -0.03 1.12 0.08 0.00 -0.36 0.00 0.00 55.97 56.78 3kei s LYS 206 Cb -0.00 -3.38 -0.02 0.00 -1.51 0.00 0.00 37.83 32.91 3kei s LYS 206 CO -0.05 0.23 -0.22 0.14 -0.36 0.00 0.00 175.35 175.08 3kei s VAL 207 N 0.12 1.79 0.05 4.02 -7.23 -0.68 -5.00 120.40 113.47 3kei s VAL 207 Ca 0.40 -1.18 0.00 0.00 -1.81 0.00 0.00 61.98 59.39 3kei s VAL 207 Cb -0.21 -1.54 0.00 0.00 0.56 0.00 0.00 36.38 35.20 3kei s VAL 207 CO 0.24 0.31 0.00 0.61 -0.31 0.00 0.00 175.10 175.95 3kei n GLY 208 N 2.00 -2.13 3.94 2.32 0.00 -1.19 -4.05 105.19 106.08 3kei n GLY 208 Ca -0.17 -1.44 -0.25 0.00 0.00 0.00 0.00 46.02 44.17 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 -2.85 1.71 0.47 -0.02 0.00 -1.26 -4.94 107.32 100.43 3kei s GLY 209 Ca 0.00 -0.98 -0.23 0.00 0.00 0.00 0.00 44.72 43.52 3kei s GLY 209 CO 0.00 -0.59 1.19 -1.31 0.00 0.00 0.00 173.10 172.39 3kei s ASN 210 N -4.50 6.03 0.37 1.64 0.01 -1.26 -4.81 114.94 112.41 3kei s ASN 210 Ca 0.60 2.37 0.19 0.00 -0.71 0.00 0.00 52.86 55.30 3kei s ASN 210 Cb -0.11 -2.61 0.21 0.00 0.41 0.00 0.00 41.25 39.16 3kei s ASN 210 CO 0.44 -1.02 1.53 -0.07 -1.51 0.00 0.00 177.10 176.46 3kei h LEU 211 N 1.93 0.00 0.00 0.60 3.38 -0.92 -3.48 115.31 116.83 3kei h LEU 211 Ca -0.50 0.00 -0.26 0.00 0.09 0.00 0.00 57.88 57.21 3kei h LEU 211 Cb 1.26 0.00 -0.06 0.00 0.09 0.00 0.00 40.66 41.94 3kei h LEU 211 CO 0.60 0.22 -0.13 -0.90 0.09 0.00 0.00 178.44 178.32 3kei n ASP 212 N -3.15 -1.38 -3.77 -0.43 5.68 -1.26 -4.93 116.55 107.31 3kei n ASP 212 Ca 0.03 -2.85 -0.24 0.00 -0.50 0.00 0.00 54.79 51.23 3kei n ASP 212 Cb 0.62 2.56 -0.17 0.00 -1.14 0.00 0.00 41.12 42.99 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 -3.13 1.83 0.00 -1.12 0.01 -1.26 -4.12 113.70 105.91 3kei s SER 213 Ca 0.28 -0.22 0.00 0.00 1.31 0.00 0.00 55.95 57.32 3kei s SER 213 Cb -0.01 -0.47 0.00 0.00 0.21 0.00 0.00 66.02 65.74 3kei s SER 213 CO 0.20 -0.21 0.00 2.29 0.41 0.00 0.00 173.24 175.93 3kei n LYS 214 N 5.13 0.00 -3.80 12.44 2.85 -0.30 -5.02 118.16 129.46 3kei n LYS 214 Ca -0.08 0.00 -0.10 0.00 -1.05 0.00 0.00 58.31 57.08 3kei n LYS 214 Cb 0.50 0.00 -0.07 0.00 -0.65 0.00 0.00 35.03 34.80 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 -0.58 -0.03 0.03 2.58 0.00 -1.26 -1.81 107.32 106.25 3kei s GLY 215 Ca 0.00 -0.28 -0.14 0.00 0.00 0.00 0.00 44.72 44.29 3kei s GLY 215 CO 0.00 -0.49 0.43 -0.19 0.00 0.00 0.00 173.10 172.85 3kei s TYR 216 N -3.16 3.71 0.14 1.90 2.02 -0.44 -1.26 117.35 120.25 3kei s TYR 216 Ca -0.01 0.99 0.06 0.00 -0.37 0.00 0.00 57.07 57.75 3kei s TYR 216 Cb 0.01 -2.29 -0.04 0.00 -0.40 0.00 0.00 41.96 39.24 3kei s TYR 216 CO -0.07 0.61 -0.14 0.20 -1.57 0.00 0.00 175.55 174.58 3kei s GLY 217 N -1.22 1.16 -0.16 0.71 0.00 -0.84 -0.91 107.32 106.06 3kei s GLY 217 Ca 0.26 -1.38 -0.26 0.00 0.00 0.00 0.00 44.72 43.34 3kei s GLY 217 CO 0.15 -1.45 0.87 0.14 0.00 0.00 0.00 173.10 172.81 3kei s VAL 218 N -2.35 4.86 0.02 1.40 1.01 -1.26 -4.53 120.40 119.55 3kei s VAL 218 Ca 0.12 1.71 0.01 0.00 0.00 0.00 0.00 61.98 63.82 3kei s VAL 218 Cb -0.04 -4.17 -0.04 0.00 0.00 0.00 0.00 36.38 32.13 3kei s VAL 218 CO 0.04 0.01 0.08 0.00 0.00 0.00 0.00 175.10 175.23 3kei s ALA 219 N 2.18 3.57 0.07 5.51 0.00 -0.66 -1.01 121.76 131.42 3kei s ALA 219 Ca 0.40 -0.91 0.02 0.00 0.00 0.00 0.00 51.96 51.47 3kei s ALA 219 Cb -0.17 -1.53 -0.03 0.00 0.00 0.00 0.00 23.12 21.39 3kei s ALA 219 CO 0.13 0.71 -0.08 0.95 0.00 0.00 0.00 175.76 177.46 3kei s THR 220 N -1.24 0.67 0.62 0.00 -4.23 -0.38 -0.50 115.64 110.58 3kei s THR 220 Ca 0.24 -1.44 -0.17 0.00 -1.18 0.00 0.00 61.69 59.15 3kei s THR 220 Cb -0.12 -1.07 -0.02 0.00 1.34 0.00 0.00 72.50 72.63 3kei s THR 220 CO 0.16 -0.55 1.13 -2.84 -0.54 0.00 0.00 174.62 171.98 3kei s PRO 221 N -2.47 2.93 0.27 3.99 0.02 -1.26 -0.98 135.00 137.50 3kei s PRO 221 Ca -0.01 1.52 -0.30 0.00 0.02 0.00 0.00 61.00 62.24 3kei s PRO 221 Cb -0.04 -1.96 -0.13 0.00 0.02 0.00 0.00 34.50 32.39 3kei s PRO 221 CO -0.01 -1.17 1.29 1.63 -0.33 0.00 0.00 177.00 178.40 3kei n LYS 222 N -2.03 1.88 -0.74 5.54 4.76 -1.26 -2.12 118.16 124.18 3kei n LYS 222 Ca 0.11 0.66 0.00 0.00 -2.87 0.00 0.00 58.31 56.22 3kei n LYS 222 Cb 0.51 -2.24 0.00 0.00 -1.84 0.00 0.00 35.03 31.47 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 1.58 0.83 3.74 0.72 0.00 -1.26 -5.03 105.19 105.77 3kei n GLY 223 Ca 0.09 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.70 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 -2.83 6.75 0.17 1.61 0.15 -0.90 -4.91 113.70 113.74 3kei s SER 224 Ca 0.00 2.54 0.20 0.00 0.70 0.00 0.00 55.95 59.39 3kei s SER 224 Cb 0.00 -2.61 0.85 0.00 -1.71 0.00 0.00 66.02 62.55 3kei s SER 224 CO 0.00 -0.64 1.61 -1.54 1.20 0.00 0.00 173.24 173.87 3kei n SER 225 N 2.67 0.44 0.09 5.45 3.41 -1.26 -2.85 113.62 121.56 3kei n SER 225 Ca 0.07 0.61 0.13 0.00 -0.26 0.00 0.00 58.87 59.42 3kei n SER 225 Cb 0.41 -0.70 0.32 0.00 -0.26 0.00 0.00 64.21 63.98 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 -1.99 0.78 -0.03 1.04 4.77 -1.26 -4.44 117.00 115.88 3kei n LEU 226 Ca 0.02 0.45 -0.15 0.00 -0.03 0.00 0.00 56.01 56.30 3kei n LEU 226 Cb 0.20 -0.27 -0.10 0.00 -2.33 0.00 0.00 43.42 40.92 3kei n LEU 226 CO 0.17 -0.14 0.51 -0.09 -1.33 0.00 0.00 177.39 176.51 3kei h ARG 227 N 0.00 -0.53 -0.01 3.23 2.43 -1.90 -0.20 114.38 117.39 3kei h ARG 227 Ca 0.00 0.04 -0.00 0.00 -0.81 0.00 0.00 59.98 59.20 3kei h ARG 227 Cb 0.74 0.12 -0.00 0.00 -0.42 0.00 0.00 29.97 30.41 3kei h ARG 227 CO 0.00 -0.35 -0.01 1.15 -1.51 0.00 0.00 179.97 179.25 3kei h THR 228 N -0.55 1.32 -0.90 0.20 2.02 -1.84 -1.83 112.91 111.33 3kei h THR 228 Ca 0.04 -0.96 0.15 0.00 0.77 0.00 0.00 66.41 66.41 3kei h THR 228 Cb 0.67 1.95 -0.10 0.00 -1.74 0.00 0.00 68.15 68.93 3kei h THR 228 CO -0.46 0.25 0.49 -0.65 0.37 0.00 0.00 175.52 175.52 3kei h PRO 229 N -0.37 0.67 -0.35 6.66 0.11 -1.79 -0.91 132.00 136.03 3kei h PRO 229 Ca 0.00 -0.04 -0.04 0.00 0.11 0.00 0.00 66.00 66.04 3kei h PRO 229 Cb 0.42 -0.15 -0.01 0.00 0.11 0.00 0.00 31.00 31.36 3kei h PRO 229 CO 0.00 0.45 0.08 0.28 -0.21 0.00 0.00 178.00 178.60 3kei h VAL 230 N 0.69 1.23 -0.11 3.15 2.07 -0.95 -0.48 116.25 121.85 3kei h VAL 230 Ca 0.49 -0.77 0.02 0.00 0.82 0.00 0.00 66.70 67.26 3kei h VAL 230 Cb 0.68 1.06 -0.02 0.00 -1.52 0.00 0.00 31.29 31.49 3kei h VAL 230 CO -0.36 0.26 -0.01 -1.13 0.02 0.00 0.00 177.57 176.36 3kei h ASN 231 N 0.41 -0.06 -0.47 0.57 -1.24 -0.87 -1.37 115.58 112.55 3kei h ASN 231 Ca 0.11 0.03 -0.05 0.00 0.71 0.00 0.00 56.30 57.10 3kei h ASN 231 Cb 0.31 0.05 -0.02 0.00 0.73 0.00 0.00 38.32 39.39 3kei h ASN 231 CO 0.00 -0.01 0.13 -0.07 -1.29 0.00 0.00 177.43 176.18 3kei h LEU 232 N 0.03 0.76 -0.55 0.34 3.38 -1.12 -2.36 115.31 115.78 3kei h LEU 232 Ca 0.05 -0.13 -0.02 0.00 0.09 0.00 0.00 57.88 57.87 3kei h LEU 232 Cb 0.07 -0.20 -0.02 0.00 0.09 0.00 0.00 40.66 40.59 3kei h LEU 232 CO -0.10 0.75 0.25 0.00 0.09 0.00 0.00 178.44 179.43 3kei h ALA 233 N 1.35 0.71 -0.56 1.53 0.00 -0.81 -0.26 119.26 121.22 3kei h ALA 233 Ca 0.17 -0.13 -0.02 0.00 0.00 0.00 0.00 54.91 54.93 3kei h ALA 233 Cb 0.29 -0.22 -0.03 0.00 0.00 0.00 0.00 17.79 17.84 3kei h ALA 233 CO -0.00 0.28 0.29 0.28 0.00 0.00 0.00 179.25 180.10 3kei h VAL 234 N 0.74 1.20 -0.44 0.00 2.07 -1.01 -1.13 116.25 117.68 3kei h VAL 234 Ca 0.19 -0.52 -0.11 0.00 0.82 0.00 0.00 66.70 67.07 3kei h VAL 234 Cb 0.14 0.51 -0.02 0.00 -1.52 0.00 0.00 31.29 30.40 3kei h VAL 234 CO -0.02 0.22 -0.17 -0.07 0.02 0.00 0.00 177.57 177.54 3kei h LEU 235 N 0.76 0.85 -0.27 2.57 3.38 -1.25 0.28 115.31 121.63 3kei h LEU 235 Ca 0.20 -0.29 0.00 0.00 0.09 0.00 0.00 57.88 57.88 3kei h LEU 235 Cb 0.08 -0.23 -0.01 0.00 0.09 0.00 0.00 40.66 40.58 3kei h LEU 235 CO -0.03 1.01 0.17 0.11 0.09 0.00 0.00 178.44 179.80 3kei h LYS 236 N 0.75 0.35 -0.71 1.13 1.57 -0.81 -0.51 116.57 118.34 3kei h LYS 236 Ca 0.11 -0.02 -0.05 0.00 -1.87 0.00 0.00 60.65 58.82 3kei h LYS 236 Cb 0.69 -0.08 -0.03 0.00 0.08 0.00 0.00 32.23 32.89 3kei h LYS 236 CO 0.05 0.24 0.26 -0.07 -0.57 0.00 0.00 179.45 179.36 3kei h LEU 237 N 0.36 1.01 0.25 2.94 3.38 -1.02 -1.07 115.31 121.16 3kei h LEU 237 Ca 0.10 -0.19 0.01 0.00 0.09 0.00 0.00 57.88 57.88 3kei h LEU 237 Cb -0.04 -0.26 -0.03 0.00 0.09 0.00 0.00 40.66 40.42 3kei h LEU 237 CO -0.02 0.93 -0.31 -1.28 0.09 0.00 0.00 178.44 177.85 3kei h SER 238 N 1.03 -0.86 0.60 -0.43 0.87 -0.79 -1.62 113.55 112.36 3kei h SER 238 Ca 0.23 0.08 -0.06 0.00 -1.23 0.00 0.00 61.79 60.82 3kei h SER 238 Cb 0.26 0.30 -0.01 0.00 -0.44 0.00 0.00 62.40 62.51 3kei h SER 238 CO -0.01 -0.43 -0.26 -0.33 -0.53 0.00 0.00 176.83 175.26 3kei h GLU 239 N -0.61 0.00 -0.01 2.24 5.08 -0.89 -2.01 114.58 118.39 3kei h GLU 239 Ca -0.00 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.36 3kei h GLU 239 Cb 0.58 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.83 3kei h GLU 239 CO -0.10 0.26 -0.05 0.00 -1.00 0.00 0.00 179.01 178.12 3kei n ALA 240 N -2.31 2.69 -0.89 3.43 0.00 -0.42 -4.92 120.51 118.09 3kei n ALA 240 Ca -0.01 -0.29 0.00 0.00 0.00 0.00 0.00 53.44 53.14 3kei n ALA 240 Cb 0.38 -1.35 0.00 0.00 0.00 0.00 0.00 19.45 18.49 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 1.18 0.80 0.31 0.00 0.00 -0.75 -4.93 105.19 101.79 3kei n GLY 241 Ca 0.18 0.00 -0.08 0.00 0.00 0.00 0.00 46.02 46.12 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 1.26 -0.81 1.61 2.07 -1.51 -1.76 116.25 117.12 3kei h VAL 242 Ca 0.00 -1.08 -0.01 0.00 0.82 0.00 0.00 66.70 66.43 3kei h VAL 242 Cb 0.00 0.70 -0.04 0.00 -1.52 0.00 0.00 31.29 30.43 3kei h VAL 242 CO 0.00 0.40 0.47 -0.07 0.02 0.00 0.00 177.57 178.39 3kei h LEU 243 N 1.01 0.99 -0.52 2.57 3.38 -1.82 -0.56 115.31 120.35 3kei h LEU 243 Ca 0.19 -0.08 -0.03 0.00 0.09 0.00 0.00 57.88 58.05 3kei h LEU 243 Cb 0.49 -0.25 -0.02 0.00 0.09 0.00 0.00 40.66 40.96 3kei h LEU 243 CO 0.02 0.78 0.22 0.44 0.09 0.00 0.00 178.44 179.99 3kei h ASP 244 N 1.12 0.71 -0.56 -0.43 3.32 -1.82 -1.40 116.42 117.36 3kei h ASP 244 Ca 0.29 -0.16 0.00 0.00 0.02 0.00 0.00 57.03 57.18 3kei h ASP 244 Cb -0.01 -0.18 -0.03 0.00 0.22 0.00 0.00 39.33 39.33 3kei h ASP 244 CO -0.05 0.68 0.36 0.11 -1.72 0.00 0.00 179.24 178.61 3kei h LYS 245 N 0.70 0.75 -0.62 3.56 1.57 -1.03 -1.29 116.57 120.22 3kei h LYS 245 Ca 0.18 -0.06 -0.08 0.00 -1.87 0.00 0.00 60.65 58.82 3kei h LYS 245 Cb 0.18 -0.16 -0.02 0.00 0.08 0.00 0.00 32.23 32.30 3kei h LYS 245 CO -0.02 0.52 0.07 -0.07 -0.57 0.00 0.00 179.45 179.39 3kei h LEU 246 N 0.76 1.01 -0.39 2.94 3.38 -1.01 -0.63 115.31 121.37 3kei h LEU 246 Ca 0.20 -0.27 -0.01 0.00 0.09 0.00 0.00 57.88 57.89 3kei h LEU 246 Cb -0.06 -0.27 -0.02 0.00 0.09 0.00 0.00 40.66 40.41 3kei h LEU 246 CO -0.04 1.03 0.22 0.50 0.09 0.00 0.00 178.44 180.24 3kei h LYS 247 N 0.95 0.54 -0.91 1.13 3.64 -1.06 -2.23 116.57 118.63 3kei h LYS 247 Ca 0.18 -0.06 0.00 0.00 -1.27 0.00 0.00 60.65 59.50 3kei h LYS 247 Cb 0.47 -0.11 -0.04 0.00 -0.41 0.00 0.00 32.23 32.14 3kei h LYS 247 CO 0.02 0.44 0.58 -0.91 -2.27 0.00 0.00 179.45 177.30 3kei h ASN 248 N 0.50 1.07 -0.44 4.20 2.35 -1.06 -0.91 115.58 121.29 3kei h ASN 248 Ca 0.14 -0.05 0.03 0.00 -0.55 0.00 0.00 56.30 55.86 3kei h ASN 248 Cb 0.05 -0.27 -0.03 0.00 0.05 0.00 0.00 38.32 38.12 3kei h ASN 248 CO -0.02 0.80 0.25 0.50 -1.65 0.00 0.00 177.43 177.31 3kei h LYS 249 N 1.24 0.48 0.00 0.81 3.64 -0.91 0.17 116.57 122.01 3kei h LYS 249 Ca 0.33 -0.03 0.00 0.00 -1.27 0.00 0.00 60.65 59.68 3kei h LYS 249 Cb -0.10 -0.11 0.00 0.00 -0.41 0.00 0.00 32.23 31.62 3kei h LYS 249 CO -0.07 0.32 -1.47 0.91 -2.27 0.00 0.00 179.45 176.87 3kei n TRP 250 N -4.86 0.31 -0.13 1.91 7.02 -0.86 -3.66 117.44 117.17 3kei n TRP 250 Ca 0.02 0.09 -0.27 0.00 -1.02 0.00 0.00 57.50 56.32 3kei n TRP 250 Cb 0.08 -0.57 -0.09 0.00 -2.42 0.00 0.00 31.31 28.31 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 -2.26 0.00 -0.05 -5.99 8.01 -0.36 -4.70 117.44 112.09 3kei n TRP 251 Ca -0.01 0.00 -0.06 0.00 -1.31 0.00 0.00 57.50 56.12 3kei n TRP 251 Cb 0.52 -0.93 -0.06 0.00 -2.01 0.00 0.00 31.31 28.84 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 -4.11 0.00 0.29 -5.99 4.01 -0.91 -3.66 117.16 106.78 3kei n TYR 252 Ca -0.51 0.00 0.16 0.00 -0.16 0.00 0.00 57.90 57.39 3kei n TYR 252 Cb 0.87 -0.41 0.85 0.00 -0.31 0.00 0.00 39.34 40.33 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 -0.64 7.72 3.32 -0.84 -1.80 116.42 124.19 3kei h ASP 253 Ca -0.23 0.00 -0.30 0.00 0.02 0.00 0.00 57.03 56.51 3kei h ASP 253 Cb 1.43 0.00 -0.18 0.00 0.22 0.00 0.00 39.33 40.80 3kei h ASP 253 CO -0.02 0.06 0.25 0.29 -1.72 0.00 0.00 179.24 178.11 3kei n LYS 254 N -3.46 2.30 -2.77 3.56 5.02 -1.24 -4.98 118.16 116.58 3kei n LYS 254 Ca -0.02 -3.09 -0.40 0.00 -2.02 0.00 0.00 58.31 52.79 3kei n LYS 254 Cb 0.20 -2.01 -0.06 0.00 -0.02 0.00 0.00 35.03 33.14 3kei n LYS 254 CO 0.00 0.00 0.00 0.20 -0.52 0.00 0.00 177.40 177.08 3kei s GLY 255 N -1.85 3.07 0.00 0.72 0.00 -0.68 -4.91 107.32 103.68 3kei s GLY 255 Ca 0.50 0.59 0.04 0.00 0.00 0.00 0.00 44.72 45.85 3kei s GLY 255 CO 0.06 1.14 0.49 1.18 0.00 0.00 0.00 173.10 175.97 3kei n GLU 256 N 1.38 1.39 0.00 2.90 1.02 0.75 -5.05 120.64 123.05 3kei n GLU 256 Ca -0.02 -0.53 0.05 0.00 -0.02 0.00 0.00 57.16 56.64 3kei n GLU 256 Cb 0.47 -0.96 0.04 0.00 -0.02 0.00 0.00 31.44 30.98 3kei n GLU 256 CO 0.00 0.00 0.00 0.00 1.18 0.00 0.00 177.13 178.31