#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1sgk h ALA 2 N 0.00 1.00 -0.05 4.61 0.00 -1.91 -1.87 119.26 121.04 1sgk h ALA 2 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.91 1sgk h ALA 2 Cb 0.00 0.00 0.00 0.00 0.00 0.00 0.00 17.79 17.79 1sgk h ALA 2 CO 0.00 0.00 0.00 -0.25 0.00 0.00 0.00 179.25 179.00 1sgk n ASP 3 N -2.89 2.03 0.06 0.00 8.00 -1.26 -0.48 116.55 122.01 1sgk n ASP 3 Ca 0.01 -1.68 0.12 0.00 0.71 0.00 0.00 54.79 53.95 1sgk n ASP 3 Cb 0.29 -0.02 0.21 0.00 -0.02 0.00 0.00 41.12 41.58 1sgk n ASP 3 CO 0.00 0.00 0.00 0.47 -0.39 0.00 0.00 177.20 177.28 1sgk n ASP 4 N 0.58 0.69 0.00 -2.24 8.00 -0.70 -4.29 116.55 118.59 1sgk n ASP 4 Ca 0.17 0.15 0.00 0.00 0.71 0.00 0.00 54.79 55.83 1sgk n ASP 4 Cb 0.43 0.06 0.00 0.00 -0.02 0.00 0.00 41.12 41.59 1sgk n ASP 4 CO 0.00 0.00 0.00 1.33 -0.39 0.00 0.00 177.20 178.14 1sgk n VAL 5 N -2.08 0.00 -4.31 2.53 0.24 -1.21 -4.85 118.33 108.64 1sgk n VAL 5 Ca 0.04 0.00 -0.34 0.00 -2.04 0.00 0.00 64.34 62.00 1sgk n VAL 5 Cb 0.43 -0.11 -0.11 0.00 -1.47 0.00 0.00 33.84 32.58 1sgk n VAL 5 CO 0.00 0.00 0.00 -0.69 -2.14 0.00 0.00 176.83 174.00 1sgk s VAL 6 N -1.44 4.16 -0.70 3.34 1.01 0.37 -0.67 120.40 126.48 1sgk s VAL 6 Ca 0.00 -0.27 -0.15 0.00 0.00 0.00 0.00 61.98 61.56 1sgk s VAL 6 Cb 0.00 -2.82 0.17 0.00 0.00 0.00 0.00 36.38 33.73 1sgk s VAL 6 CO 0.00 0.51 0.66 -0.62 0.00 0.00 0.00 175.10 175.65 1sgk s ASP 7 N 0.13 6.50 0.19 3.32 -1.08 -0.24 -4.44 116.67 121.05 1sgk s ASP 7 Ca 0.01 -2.24 -0.11 0.00 -0.52 0.00 0.00 52.55 49.68 1sgk s ASP 7 Cb -0.13 -2.22 0.16 0.00 -1.46 0.00 0.00 42.92 39.27 1sgk s ASP 7 CO 0.02 -0.73 1.83 0.28 0.52 0.00 0.00 175.17 177.09 1sgk h SER 8 N 8.33 0.60 -0.18 -0.34 0.02 -1.92 -2.34 113.55 117.71 1sgk h SER 8 Ca -0.08 0.01 0.05 0.00 -0.84 0.00 0.00 61.79 60.93 1sgk h SER 8 Cb 1.07 -0.12 -0.01 0.00 0.14 0.00 0.00 62.40 63.48 1sgk h SER 8 CO 0.90 0.41 0.25 0.77 -1.14 0.00 0.00 176.83 178.02 1sgk h SER 9 N 0.73 0.00 -0.07 3.07 4.64 -1.97 0.50 113.55 120.44 1sgk h SER 9 Ca 0.25 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.57 1sgk h SER 9 Cb 0.05 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.14 1sgk h SER 9 CO -0.11 0.00 0.00 0.29 -0.87 0.00 0.00 176.83 176.14 1sgk n LYS 10 N -3.59 1.43 -3.57 4.77 4.76 -0.91 -4.93 118.16 116.11 1sgk n LYS 10 Ca 0.02 -1.56 -0.38 0.00 -2.87 0.00 0.00 58.31 53.52 1sgk n LYS 10 Cb 0.37 -1.32 -0.06 0.00 -1.84 0.00 0.00 35.03 32.17 1sgk n LYS 10 CO 0.00 0.00 0.00 -1.12 -1.37 0.00 0.00 177.40 174.91 1sgk s SER 11 N -1.32 6.71 0.19 4.39 0.01 0.16 -4.45 113.70 119.40 1sgk s SER 11 Ca 0.21 0.85 -0.23 0.00 1.31 0.00 0.00 55.95 58.09 1sgk s SER 11 Cb 0.14 -2.21 0.06 0.00 0.21 0.00 0.00 66.02 64.21 1sgk s SER 11 CO 0.21 0.32 0.65 0.72 0.41 0.00 0.00 173.24 175.55 1sgk s PHE 12 N -0.96 -0.42 -0.13 2.43 -0.12 -0.98 -4.94 117.98 112.86 1sgk s PHE 12 Ca 0.22 0.13 -0.04 0.00 -0.05 0.00 0.00 56.93 57.19 1sgk s PHE 12 Cb -0.16 0.61 -0.03 0.00 -0.63 0.00 0.00 43.02 42.81 1sgk s PHE 12 CO 0.11 -0.96 0.01 0.08 -0.05 0.00 0.00 175.22 174.41 1sgk s VAL 13 N -3.77 4.32 0.02 -2.49 1.01 -1.26 -1.26 120.40 116.97 1sgk s VAL 13 Ca 0.04 -0.22 0.02 0.00 0.00 0.00 0.00 61.98 61.83 1sgk s VAL 13 Cb -0.03 -2.87 -0.01 0.00 0.00 0.00 0.00 36.38 33.47 1sgk s VAL 13 CO -0.06 0.54 -0.08 -0.32 0.00 0.00 0.00 175.10 175.18 1sgk s MET 14 N -0.23 0.56 -0.10 2.72 0.00 0.19 -4.97 119.30 117.47 1sgk s MET 14 Ca 0.06 -0.50 -0.12 0.00 0.00 0.00 0.00 55.69 55.12 1sgk s MET 14 Cb -0.12 -0.46 -0.05 0.00 0.00 0.00 0.00 34.83 34.20 1sgk s MET 14 CO 0.02 0.11 0.29 -2.00 0.00 0.00 0.00 175.02 173.44 1sgk s GLU 15 N -0.84 3.94 -1.31 4.11 2.12 -1.26 -0.96 118.70 124.50 1sgk s GLU 15 Ca -0.03 0.14 -0.07 0.00 0.36 0.00 0.00 54.97 55.38 1sgk s GLU 15 Cb -0.06 -3.30 0.01 0.00 0.26 0.00 0.00 34.13 31.04 1sgk s GLU 15 CO 0.00 0.52 0.88 0.09 -0.54 0.00 0.00 175.26 176.22 1sgk n ASN 16 N 2.60 -5.91 -4.69 -1.70 3.02 0.99 -4.93 115.26 104.64 1sgk n ASN 16 Ca -0.15 -0.40 -0.42 0.00 -0.03 0.00 0.00 54.58 53.58 1sgk n ASN 16 Cb 0.53 -4.61 -0.03 0.00 -0.61 0.00 0.00 39.78 35.06 1sgk n ASN 16 CO 0.00 0.00 0.00 0.12 -2.62 0.00 0.00 177.26 174.76 1sgk s PHE 17 N -3.23 2.04 0.22 3.10 5.36 -1.23 -4.68 117.98 119.57 1sgk s PHE 17 Ca 0.44 -0.06 0.06 0.00 -0.96 0.00 0.00 56.93 56.40 1sgk s PHE 17 Cb -0.19 -4.17 -0.05 0.00 -0.34 0.00 0.00 43.02 38.26 1sgk s PHE 17 CO 0.54 -4.89 -0.08 -1.54 -1.46 0.00 0.00 175.22 167.79 1sgk s SER 18 N 2.93 2.26 0.23 6.13 1.04 -1.26 -1.61 113.70 123.43 1sgk s SER 18 Ca 0.81 -1.12 -0.05 0.00 0.48 0.00 0.00 55.95 56.07 1sgk s SER 18 Cb -0.45 -0.08 0.02 0.00 0.10 0.00 0.00 66.02 65.61 1sgk s SER 18 CO 0.37 -0.34 0.40 -1.54 0.98 0.00 0.00 173.24 173.11 1sgk n SER 19 N -0.41 -1.16 -4.46 7.02 3.41 -0.66 -4.93 113.62 112.44 1sgk n SER 19 Ca -0.07 -2.08 -0.26 0.00 -0.26 0.00 0.00 58.87 56.20 1sgk n SER 19 Cb 0.62 2.01 -0.11 0.00 -0.26 0.00 0.00 64.21 66.47 1sgk n SER 19 CO 0.00 0.00 0.00 -0.31 -0.16 0.00 0.00 175.04 174.57 1sgk s TYR 20 N -4.30 2.35 -0.08 7.33 1.51 0.95 -1.20 117.35 123.90 1sgk s TYR 20 Ca 0.14 -0.33 -0.03 0.00 -1.01 0.00 0.00 57.07 55.83 1sgk s TYR 20 Cb -0.02 -1.12 0.05 0.00 -0.11 0.00 0.00 41.96 40.75 1sgk s TYR 20 CO 0.10 0.56 0.14 -1.58 -1.11 0.00 0.00 175.55 173.66 1sgk s HIS 21 N -1.90 -0.11 0.27 2.71 2.46 -0.69 -0.87 115.29 117.16 1sgk s HIS 21 Ca 0.24 0.47 -0.29 0.00 0.47 0.00 0.00 55.06 55.95 1sgk s HIS 21 Cb -0.07 -0.33 -0.10 0.00 -0.13 0.00 0.00 32.58 31.95 1sgk s HIS 21 CO 0.12 -0.28 1.26 0.20 -2.47 0.00 0.00 174.74 173.57 1sgk s GLY 22 N 2.26 2.83 -0.04 1.59 0.00 -1.23 -2.18 107.32 110.55 1sgk s GLY 22 Ca 0.04 1.13 0.05 0.00 0.00 0.00 0.00 44.72 45.93 1sgk s GLY 22 CO -0.06 1.88 -0.18 -1.59 0.00 0.00 0.00 173.10 173.16 1sgk s THR 23 N -0.71 1.46 0.49 0.90 2.01 0.26 -4.75 115.64 115.30 1sgk s THR 23 Ca 0.51 -0.75 -0.21 0.00 0.31 0.00 0.00 61.69 61.55 1sgk s THR 23 Cb -0.37 -1.24 -0.08 0.00 0.01 0.00 0.00 72.50 70.82 1sgk s THR 23 CO 0.45 0.42 1.06 -0.54 -0.69 0.00 0.00 174.62 175.32 1sgk s LYS 24 N -0.10 3.77 0.13 4.92 -0.14 -1.26 -1.16 119.74 125.90 1sgk s LYS 24 Ca -0.01 1.42 -0.31 0.00 -1.36 0.00 0.00 55.97 55.71 1sgk s LYS 24 Cb -0.10 -2.13 -0.10 0.00 -1.68 0.00 0.00 37.83 33.82 1sgk s LYS 24 CO 0.01 -0.47 1.78 -1.25 -0.76 0.00 0.00 175.35 174.67 1sgk s PRO 25 N -3.17 4.14 0.00 -1.68 0.04 -1.25 -1.65 135.00 131.44 1sgk s PRO 25 Ca 0.67 2.56 0.00 0.00 0.04 0.00 0.00 61.00 64.27 1sgk s PRO 25 Cb -0.18 -3.49 0.00 0.00 0.04 0.00 0.00 34.50 30.87 1sgk s PRO 25 CO 0.22 -0.81 0.00 0.41 0.04 0.00 0.00 177.00 176.86 1sgk n GLY 26 N 4.15 0.85 0.75 0.56 0.00 -1.26 -4.91 105.19 105.33 1sgk n GLY 26 Ca 0.17 0.00 0.07 0.00 0.00 0.00 0.00 46.02 46.26 1sgk n GLY 26 CO 0.00 0.00 0.00 -1.72 0.00 0.00 0.00 173.32 171.60 1sgk n TYR 27 N -0.02 0.48 -0.06 1.61 4.02 -0.66 -4.64 117.16 117.89 1sgk n TYR 27 Ca 0.00 -0.42 -0.01 0.00 -0.01 0.00 0.00 57.90 57.46 1sgk n TYR 27 Cb 0.00 -0.02 0.25 0.00 -0.02 0.00 0.00 39.34 39.55 1sgk n TYR 27 CO 0.00 0.00 0.00 0.28 -1.01 0.00 0.00 176.86 176.13 1sgk h VAL 28 N 2.54 1.21 0.00 -0.72 2.07 -1.90 -2.20 116.25 117.25 1sgk h VAL 28 Ca 0.00 -0.79 -0.15 0.00 0.82 0.00 0.00 66.70 66.58 1sgk h VAL 28 Cb 0.75 0.81 -0.03 0.00 -1.52 0.00 0.00 31.29 31.31 1sgk h VAL 28 CO 0.00 0.28 -1.98 0.47 0.02 0.00 0.00 177.57 176.36 1sgk n ASP 29 N -4.28 0.19 -0.04 0.57 8.00 -1.26 -3.81 116.55 115.91 1sgk n ASP 29 Ca 0.03 0.08 -0.14 0.00 0.71 0.00 0.00 54.79 55.46 1sgk n ASP 29 Cb 0.23 1.28 -0.08 0.00 -0.02 0.00 0.00 41.12 42.53 1sgk n ASP 29 CO 0.00 0.00 0.00 0.77 -0.39 0.00 0.00 177.20 177.58 1sgk h SER 30 N 0.00 0.43 -0.07 -2.24 4.64 -1.81 -3.10 113.55 111.41 1sgk h SER 30 Ca -0.21 -0.58 -0.02 0.00 -0.47 0.00 0.00 61.79 60.51 1sgk h SER 30 Cb 1.52 -0.12 -0.01 0.00 -0.31 0.00 0.00 62.40 63.47 1sgk h SER 30 CO 0.02 0.94 0.01 -0.29 -0.87 0.00 0.00 176.83 176.63 1sgk h ILE 31 N -0.06 1.08 0.00 0.95 2.10 -1.58 0.14 117.51 120.15 1sgk h ILE 31 Ca -0.00 -0.31 0.00 0.00 1.08 0.00 0.00 64.86 65.63 1sgk h ILE 31 Cb 0.88 0.98 0.00 0.00 -1.09 0.00 0.00 36.82 37.59 1sgk h ILE 31 CO 0.06 0.10 0.00 1.56 -1.08 0.00 0.00 178.15 178.79 1sgk h GLN 32 N 0.18 0.00 0.00 2.19 4.20 -1.64 0.19 115.11 120.24 1sgk h GLN 32 Ca 0.05 0.00 0.00 0.00 0.06 0.00 0.00 58.65 58.76 1sgk h GLN 32 Cb 0.11 0.00 0.00 0.00 0.30 0.00 0.00 27.48 27.89 1sgk h GLN 32 CO 0.00 0.00 0.00 1.63 -0.67 0.00 0.00 178.83 179.79 1sgk n LYS 33 N -3.02 0.46 0.00 1.46 5.02 0.50 -4.53 118.16 118.05 1sgk n LYS 33 Ca -0.02 0.05 0.00 0.00 -2.02 0.00 0.00 58.31 56.32 1sgk n LYS 33 Cb 0.15 -1.50 0.00 0.00 -0.02 0.00 0.00 35.03 33.66 1sgk n LYS 33 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 1sgk n GLY 34 N 0.62 4.26 3.64 0.72 0.00 0.68 -5.08 105.19 110.04 1sgk n GLY 34 Ca 0.13 -1.42 -0.39 0.00 0.00 0.00 0.00 46.02 44.34 1sgk n GLY 34 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1sgk s ILE 35 N -2.04 5.12 -0.06 -0.61 -1.09 -1.26 -4.68 121.20 116.58 1sgk s ILE 35 Ca 0.00 0.83 -0.11 0.00 -2.23 0.00 0.00 60.65 59.14 1sgk s ILE 35 Cb 0.00 -3.80 0.02 0.00 -1.58 0.00 0.00 42.46 37.10 1sgk s ILE 35 CO 0.00 0.16 0.28 0.00 -1.23 0.00 0.00 174.94 174.14 1sgk s GLN 36 N 1.85 0.49 -0.06 2.79 -2.07 -1.26 -4.10 119.66 117.30 1sgk s GLN 36 Ca 0.21 0.06 -0.30 0.00 -1.82 0.00 0.00 55.36 53.51 1sgk s GLN 36 Cb -0.15 0.22 -0.09 0.00 -1.09 0.00 0.00 33.01 31.90 1sgk s GLN 36 CO 0.09 -0.11 2.03 1.17 -1.32 0.00 0.00 175.29 177.16 1sgk n LYS 37 N 2.08 2.49 -1.73 9.60 4.81 -1.26 -4.93 118.16 129.22 1sgk n LYS 37 Ca -0.18 0.87 -0.40 0.00 -0.87 0.00 0.00 58.31 57.73 1sgk n LYS 37 Cb 0.57 -3.00 0.03 0.00 0.02 0.00 0.00 35.03 32.65 1sgk n LYS 37 CO 0.00 0.00 0.00 -0.35 1.17 0.00 0.00 177.40 178.22 1sgk n PRO 38 N 7.74 1.92 0.00 1.64 -0.04 -1.26 -4.93 135.00 140.07 1sgk n PRO 38 Ca 0.24 0.69 0.13 0.00 -0.04 0.00 0.00 63.50 64.51 1sgk n PRO 38 Cb 0.40 -2.53 0.36 0.00 -0.04 0.00 0.00 33.50 31.69 1sgk n PRO 38 CO 0.00 0.00 0.00 1.63 -0.04 0.00 0.00 175.50 177.09 1sgk n LYS 39 N -0.45 0.70 -4.35 0.54 5.02 -1.26 -4.82 118.16 113.54 1sgk n LYS 39 Ca 0.08 -0.41 -0.24 0.00 -2.02 0.00 0.00 58.31 55.72 1sgk n LYS 39 Cb 0.42 -1.49 -0.13 0.00 -0.02 0.00 0.00 35.03 33.81 1sgk n LYS 39 CO 0.00 0.00 0.00 0.45 -0.52 0.00 0.00 177.40 177.33 1sgk s SER 40 N -2.58 2.48 0.00 4.39 0.15 -1.26 -5.09 113.70 111.78 1sgk s SER 40 Ca 0.22 -0.65 0.00 0.00 0.70 0.00 0.00 55.95 56.22 1sgk s SER 40 Cb 0.19 -0.15 0.00 0.00 -1.71 0.00 0.00 66.02 64.35 1sgk s SER 40 CO 0.55 0.07 0.00 0.61 1.20 0.00 0.00 173.24 175.67 1sgk n GLY 41 N 1.25 -0.58 0.01 9.45 0.00 -1.26 -4.56 105.19 109.50 1sgk n GLY 41 Ca -0.19 -1.75 0.07 0.00 0.00 0.00 0.00 46.02 44.15 1sgk n GLY 41 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 1sgk n THR 42 N -0.61 1.04 -3.81 2.61 -2.24 -1.26 -4.92 114.28 105.08 1sgk n THR 42 Ca 0.00 0.26 -0.28 0.00 -2.27 0.00 0.00 64.05 61.76 1sgk n THR 42 Cb 0.00 -1.04 0.04 0.00 -2.10 0.00 0.00 70.33 67.23 1sgk n THR 42 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 1sgk n GLN 43 N -1.56 -6.37 0.00 -0.78 6.02 -1.26 -2.93 117.38 110.50 1sgk n GLN 43 Ca 0.03 0.67 0.00 0.00 -0.01 0.00 0.00 57.00 57.70 1sgk n GLN 43 Cb 0.17 -5.63 0.00 0.00 1.02 0.00 0.00 30.24 25.80 1sgk n GLN 43 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 177.06 176.46 1sgk n GLY 44 N -1.80 2.90 3.45 1.08 0.00 -1.26 -2.36 105.19 107.19 1sgk n GLY 44 Ca 0.03 -0.89 -0.13 0.00 0.00 0.00 0.00 46.02 45.03 1sgk n GLY 44 CO 0.00 0.00 0.00 0.21 0.00 0.00 0.00 173.32 173.53 1sgk s ASN 45 N -0.01 -0.56 0.18 1.61 3.84 -1.15 -4.74 114.94 114.11 1sgk s ASN 45 Ca 0.00 0.12 -0.03 0.00 0.21 0.00 0.00 52.86 53.16 1sgk s ASN 45 Cb 0.00 0.57 0.08 0.00 -0.55 0.00 0.00 41.25 41.35 1sgk s ASN 45 CO 0.00 -0.87 1.47 0.22 -2.79 0.00 0.00 177.10 175.13 1sgk h TYR 46 N 2.16 0.66 -3.34 0.43 3.20 -1.94 -3.43 116.97 114.72 1sgk h TYR 46 Ca -0.32 -0.26 -0.57 0.00 3.14 0.00 0.00 58.73 60.72 1sgk h TYR 46 Cb 1.28 -0.12 -0.07 0.00 1.54 0.00 0.00 36.73 39.36 1sgk h TYR 46 CO 0.26 1.00 0.29 0.34 -1.64 0.00 0.00 178.16 178.40 1sgk s ASP 47 N -6.95 6.95 0.30 -2.11 -1.08 -1.26 -4.94 116.67 107.58 1sgk s ASP 47 Ca -0.07 1.15 0.03 0.00 -0.52 0.00 0.00 52.55 53.14 1sgk s ASP 47 Cb 0.11 -2.44 0.60 0.00 -1.46 0.00 0.00 42.92 39.73 1sgk s ASP 47 CO 0.84 -0.31 1.86 0.44 0.52 0.00 0.00 175.17 178.52 1sgk h ASP 48 N 7.20 0.87 -0.22 -0.34 3.32 -1.98 -1.23 116.42 124.04 1sgk h ASP 48 Ca -0.33 0.04 0.06 0.00 0.02 0.00 0.00 57.03 56.82 1sgk h ASP 48 Cb 1.15 -0.14 -0.01 0.00 0.22 0.00 0.00 39.33 40.55 1sgk h ASP 48 CO 0.81 0.48 0.16 0.44 -1.72 0.00 0.00 179.24 179.40 1sgk h ASP 49 N 0.95 0.02 -0.42 6.45 3.32 -1.92 -2.97 116.42 121.85 1sgk h ASP 49 Ca 0.47 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.52 1sgk h ASP 49 Cb 0.47 -0.00 0.00 0.00 0.22 0.00 0.00 39.33 40.02 1sgk h ASP 49 CO -0.23 0.01 0.00 0.79 -1.72 0.00 0.00 179.24 178.09 1sgk n TRP 50 N -4.48 0.78 -2.17 4.55 7.02 -0.47 -1.67 117.44 121.01 1sgk n TRP 50 Ca 0.02 -0.59 -0.42 0.00 -1.02 0.00 0.00 57.50 55.49 1sgk n TRP 50 Cb 0.29 -0.12 -0.03 0.00 -2.42 0.00 0.00 31.31 29.03 1sgk n TRP 50 CO 0.00 0.00 0.00 0.15 -2.02 0.00 0.00 177.69 175.82 1sgk s LYS 51 N -1.49 4.32 0.00 -0.99 1.02 -1.12 -4.40 119.74 117.08 1sgk s LYS 51 Ca 0.34 2.08 0.00 0.00 0.02 0.00 0.00 55.97 58.42 1sgk s LYS 51 Cb 0.21 -3.24 0.00 0.00 -0.52 0.00 0.00 37.83 34.29 1sgk s LYS 51 CO 0.18 -0.42 0.00 0.41 -0.92 0.00 0.00 175.35 174.60 1sgk n GLY 52 N 3.34 -0.01 3.71 -3.33 0.00 -1.00 -4.74 105.19 103.16 1sgk n GLY 52 Ca 0.11 -0.98 -0.40 0.00 0.00 0.00 0.00 46.02 44.75 1sgk n GLY 52 CO 0.00 0.00 0.00 -0.12 0.00 0.00 0.00 173.32 173.20 1sgk s PHE 53 N -2.00 3.56 -0.12 1.61 5.36 0.57 -4.20 117.98 122.76 1sgk s PHE 53 Ca 0.00 1.25 -0.03 0.00 -0.96 0.00 0.00 56.93 57.18 1sgk s PHE 53 Cb 0.00 -2.83 -0.03 0.00 -0.34 0.00 0.00 43.02 39.82 1sgk s PHE 53 CO 0.00 0.05 0.01 0.71 -1.46 0.00 0.00 175.22 174.53 1sgk s TYR 54 N 0.94 3.17 0.15 10.12 1.51 -1.26 0.39 117.35 132.37 1sgk s TYR 54 Ca 0.38 0.10 -0.03 0.00 -1.01 0.00 0.00 57.07 56.50 1sgk s TYR 54 Cb -0.18 -1.88 -0.03 0.00 -0.11 0.00 0.00 41.96 39.76 1sgk s TYR 54 CO 0.18 0.33 0.13 -1.54 -1.11 0.00 0.00 175.55 173.54 1sgk s SER 55 N -0.44 0.21 0.06 2.29 1.04 -0.87 -4.80 113.70 111.20 1sgk s SER 55 Ca 0.08 -1.16 0.01 0.00 0.48 0.00 0.00 55.95 55.36 1sgk s SER 55 Cb -0.12 0.35 -0.03 0.00 0.10 0.00 0.00 66.02 66.32 1sgk s SER 55 CO 0.02 -0.79 -0.06 0.28 0.98 0.00 0.00 173.24 173.67 1sgk s THR 56 N -4.05 0.47 -0.79 2.02 -1.32 -0.05 0.04 115.64 111.96 1sgk s THR 56 Ca 0.25 -1.42 0.25 0.00 -1.21 0.00 0.00 61.69 59.55 1sgk s THR 56 Cb 0.06 -1.02 0.24 0.00 -1.51 0.00 0.00 72.50 70.28 1sgk s THR 56 CO 0.03 -0.64 1.76 -0.90 -2.21 0.00 0.00 174.62 172.66 1sgk n ASP 57 N 0.82 0.45 -4.39 8.08 5.75 -1.19 -0.04 116.55 126.03 1sgk n ASP 57 Ca -0.18 0.56 -0.38 0.00 -0.01 0.00 0.00 54.79 54.78 1sgk n ASP 57 Cb 0.58 -0.68 -0.12 0.00 -1.03 0.00 0.00 41.12 39.87 1sgk n ASP 57 CO 0.00 0.00 0.00 0.21 -0.11 0.00 0.00 177.20 177.30 1sgk s ASN 58 N -3.84 5.33 0.49 -1.12 3.84 -1.26 -4.80 114.94 113.58 1sgk s ASN 58 Ca 0.10 -0.60 0.25 0.00 0.21 0.00 0.00 52.86 52.82 1sgk s ASN 58 Cb 0.13 -1.94 1.24 0.00 -0.55 0.00 0.00 41.25 40.13 1sgk s ASN 58 CO 0.49 -0.19 1.99 0.07 -2.79 0.00 0.00 177.10 176.66 1sgk h LYS 59 N 8.29 0.00 0.00 0.43 2.10 -1.95 -2.26 116.57 123.18 1sgk h LYS 59 Ca -0.32 0.00 -0.16 0.00 -2.00 0.00 0.00 60.65 58.17 1sgk h LYS 59 Cb 1.14 0.00 -0.02 0.00 -0.90 0.00 0.00 32.23 32.44 1sgk h LYS 59 CO 0.61 0.17 -0.77 1.88 -2.00 0.00 0.00 179.45 179.34 1sgk h TYR 60 N 0.00 0.00 -0.01 0.07 0.05 -1.95 -2.01 116.97 113.12 1sgk h TYR 60 Ca -0.00 0.00 -0.19 0.00 0.05 0.00 0.00 58.73 58.58 1sgk h TYR 60 Cb 0.47 0.00 -0.01 0.00 1.01 0.00 0.00 36.73 38.20 1sgk h TYR 60 CO 0.00 0.77 -0.85 -0.44 -1.05 0.00 0.00 178.16 176.60 1sgk h ASP 61 N 0.00 0.31 -0.53 3.88 3.32 -1.89 -3.10 116.42 118.41 1sgk h ASP 61 Ca -0.01 -0.24 -0.09 0.00 0.02 0.00 0.00 57.03 56.71 1sgk h ASP 61 Cb 1.38 -0.09 -0.02 0.00 0.22 0.00 0.00 39.33 40.81 1sgk h ASP 61 CO 0.10 1.02 -0.03 0.00 -1.72 0.00 0.00 179.24 178.61 1sgk h ALA 62 N 0.96 0.89 -0.45 3.45 0.00 -1.33 -2.90 119.26 119.89 1sgk h ALA 62 Ca -0.04 -0.31 0.04 0.00 0.00 0.00 0.00 54.91 54.60 1sgk h ALA 62 Cb 1.46 -0.21 -0.02 0.00 0.00 0.00 0.00 17.79 19.01 1sgk h ALA 62 CO 0.13 0.65 0.30 0.00 0.00 0.00 0.00 179.25 180.33 1sgk h ALA 63 N 1.06 1.85 0.00 0.00 0.00 -1.28 -1.90 119.26 118.99 1sgk h ALA 63 Ca 0.16 -0.02 0.00 0.00 0.00 0.00 0.00 54.91 55.05 1sgk h ALA 63 Cb 0.56 -0.12 0.00 0.00 0.00 0.00 0.00 17.79 18.23 1sgk h ALA 63 CO 0.03 0.08 0.00 0.41 0.00 0.00 0.00 179.25 179.78 1sgk n GLY 64 N -1.50 -0.76 0.78 0.00 0.00 -1.10 -2.57 105.19 100.04 1sgk n GLY 64 Ca 0.05 -0.06 0.08 0.00 0.00 0.00 0.00 46.02 46.09 1sgk n GLY 64 CO 0.00 0.00 0.00 -1.72 0.00 0.00 0.00 173.32 171.60 1sgk n TYR 65 N -1.32 0.78 0.59 1.61 4.01 -0.72 -4.52 117.16 117.60 1sgk n TYR 65 Ca 0.06 -0.80 0.11 0.00 -0.16 0.00 0.00 57.90 57.11 1sgk n TYR 65 Cb 0.11 -0.24 0.15 0.00 -0.31 0.00 0.00 39.34 39.05 1sgk n TYR 65 CO 0.00 0.00 0.00 -1.13 -0.46 0.00 0.00 176.86 175.27 1sgk n SER 66 N -0.35 3.14 -4.78 7.72 3.41 -1.06 -4.45 113.62 117.25 1sgk n SER 66 Ca 0.19 -1.95 -0.37 0.00 -0.26 0.00 0.00 58.87 56.47 1sgk n SER 66 Cb 0.77 -0.12 -0.06 0.00 -0.26 0.00 0.00 64.21 64.54 1sgk n SER 66 CO 0.00 0.00 0.00 -0.69 -0.16 0.00 0.00 175.04 174.19 1sgk s VAL 67 N -1.64 4.03 -0.22 -3.33 1.01 -1.26 -0.38 120.40 118.61 1sgk s VAL 67 Ca 0.32 1.72 -0.41 0.00 0.00 0.00 0.00 61.98 63.61 1sgk s VAL 67 Cb 0.20 -3.97 -0.17 0.00 0.00 0.00 0.00 36.38 32.44 1sgk s VAL 67 CO 0.29 0.16 1.57 -0.67 0.00 0.00 0.00 175.10 176.45 1sgk n ASP 68 N 0.57 1.76 -0.00 3.32 2.03 0.44 -4.86 116.55 119.81 1sgk n ASP 68 Ca 0.02 1.12 0.09 0.00 0.52 0.00 0.00 54.79 56.54 1sgk n ASP 68 Cb 0.49 -1.08 0.51 0.00 -0.72 0.00 0.00 41.12 40.33 1sgk n ASP 68 CO 0.00 0.00 0.00 0.78 -1.92 0.00 0.00 177.20 176.06 1sgk h ASN 69 N 5.81 0.32 1.55 1.67 2.35 -1.92 -1.47 115.58 123.89 1sgk h ASN 69 Ca -0.47 0.00 -0.10 0.00 -0.55 0.00 0.00 56.30 55.19 1sgk h ASN 69 Cb 1.34 -0.07 -0.01 0.00 0.05 0.00 0.00 38.32 39.63 1sgk h ASN 69 CO 0.90 0.21 -0.45 -0.33 -1.65 0.00 0.00 177.43 176.10 1sgk h GLU 70 N 0.37 0.00 -2.28 0.81 4.39 -2.01 -3.36 114.58 112.50 1sgk h GLU 70 Ca 0.20 0.00 -0.59 0.00 0.34 0.00 0.00 59.36 59.31 1sgk h GLU 70 Cb 0.31 0.00 -0.40 0.00 -0.10 0.00 0.00 28.75 28.56 1sgk h GLU 70 CO -0.05 0.45 -0.85 0.09 -1.16 0.00 0.00 179.01 177.49 1sgk n ASN 71 N -3.21 1.56 -0.23 1.42 3.02 -0.62 -4.97 115.26 112.24 1sgk n ASN 71 Ca 0.02 -2.94 -0.06 0.00 -0.03 0.00 0.00 54.58 51.57 1sgk n ASN 71 Cb 0.72 -0.65 0.04 0.00 -0.61 0.00 0.00 39.78 39.28 1sgk n ASN 71 CO 0.00 0.00 0.00 1.55 -2.62 0.00 0.00 177.26 176.19 1sgk h PRO 72 N 4.55 0.86 0.41 3.52 0.13 -1.55 0.31 132.00 140.22 1sgk h PRO 72 Ca 0.16 -0.06 -0.02 0.00 -0.87 0.00 0.00 66.00 65.20 1sgk h PRO 72 Cb 0.80 -0.19 0.00 0.00 0.13 0.00 0.00 31.00 31.75 1sgk h PRO 72 CO 0.60 0.59 -0.20 -0.07 -0.23 0.00 0.00 178.00 178.69 1sgk h LEU 73 N 0.87 -0.47 -2.63 1.56 3.38 -1.93 -3.38 115.31 112.71 1sgk h LEU 73 Ca 0.23 0.02 0.00 0.00 0.09 0.00 0.00 57.88 58.22 1sgk h LEU 73 Cb -0.07 0.12 0.00 0.00 0.09 0.00 0.00 40.66 40.80 1sgk h LEU 73 CO -0.05 -0.25 0.00 -1.54 0.09 0.00 0.00 178.44 176.69 1sgk n SER 74 N -3.93 3.22 -4.25 -0.43 3.41 -1.25 -5.04 113.62 105.35 1sgk n SER 74 Ca -0.07 -1.95 -0.29 0.00 -0.26 0.00 0.00 58.87 56.30 1sgk n SER 74 Cb 0.22 -0.29 0.21 0.00 -0.26 0.00 0.00 64.21 64.09 1sgk n SER 74 CO 0.00 0.00 0.00 -0.83 -0.16 0.00 0.00 175.04 174.05 1sgk s GLY 75 N -1.06 1.57 0.61 5.00 0.00 0.11 -4.82 107.32 108.73 1sgk s GLY 75 Ca 0.32 -0.67 -0.15 0.00 0.00 0.00 0.00 44.72 44.22 1sgk s GLY 75 CO 0.23 0.08 1.06 0.54 0.00 0.00 0.00 173.10 175.01 1sgk s LYS 76 N -5.19 3.25 -0.08 2.90 -0.14 -1.26 -4.66 119.74 114.56 1sgk s LYS 76 Ca 0.68 1.17 -0.01 0.00 -1.36 0.00 0.00 55.97 56.45 1sgk s LYS 76 Cb -0.14 -2.02 -0.03 0.00 -1.68 0.00 0.00 37.83 33.95 1sgk s LYS 76 CO 0.57 -0.86 -0.01 0.00 -0.76 0.00 0.00 175.35 174.28 1sgk s ALA 77 N -2.54 3.22 0.00 5.17 0.00 -1.26 -0.42 121.76 125.93 1sgk s ALA 77 Ca 0.63 -0.83 0.00 0.00 0.00 0.00 0.00 51.96 51.76 1sgk s ALA 77 Cb -0.16 -1.42 0.00 0.00 0.00 0.00 0.00 23.12 21.54 1sgk s ALA 77 CO 0.40 0.59 0.01 0.41 0.00 0.00 0.00 175.76 177.16 1sgk n GLY 78 N 2.12 1.68 0.00 0.00 0.00 0.48 -3.75 105.19 105.73 1sgk n GLY 78 Ca -0.18 0.00 0.00 0.00 0.00 0.00 0.00 46.02 45.84 1sgk n GLY 78 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1sgk n GLY 79 N 2.66 1.27 3.00 -0.02 0.00 -0.31 -0.55 105.19 111.23 1sgk n GLY 79 Ca 0.00 -0.85 -0.17 0.00 0.00 0.00 0.00 46.02 45.00 1sgk n GLY 79 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1sgk s VAL 80 N -2.46 0.57 0.11 1.61 1.01 0.13 -0.57 120.40 120.79 1sgk s VAL 80 Ca 0.00 -0.35 0.06 0.00 0.00 0.00 0.00 61.98 61.70 1sgk s VAL 80 Cb 0.00 -0.48 -0.04 0.00 0.00 0.00 0.00 36.38 35.86 1sgk s VAL 80 CO 0.00 0.13 -0.16 0.68 0.00 0.00 0.00 175.10 175.76 1sgk s VAL 81 N -0.23 1.39 -0.22 2.92 -7.23 -0.93 -0.69 120.40 115.42 1sgk s VAL 81 Ca 0.02 -1.59 -0.07 0.00 -1.81 0.00 0.00 61.98 58.53 1sgk s VAL 81 Cb -0.03 -1.44 -0.03 0.00 0.56 0.00 0.00 36.38 35.43 1sgk s VAL 81 CO -0.00 -0.29 0.06 -0.75 -0.31 0.00 0.00 175.10 173.81 1sgk s LYS 82 N -2.29 3.79 -0.13 4.82 2.20 0.11 -1.70 119.74 126.54 1sgk s LYS 82 Ca 0.06 -0.42 -0.03 0.00 -0.36 0.00 0.00 55.97 55.22 1sgk s LYS 82 Cb -0.07 -3.26 -0.03 0.00 -1.51 0.00 0.00 37.83 32.96 1sgk s LYS 82 CO 0.03 0.02 -0.03 0.14 -0.36 0.00 0.00 175.35 175.15 1sgk s VAL 83 N 1.04 3.96 0.04 4.02 -7.23 -0.34 -1.37 120.40 120.52 1sgk s VAL 83 Ca 0.04 -0.35 0.07 0.00 -1.81 0.00 0.00 61.98 59.93 1sgk s VAL 83 Cb -0.14 -2.70 -0.02 0.00 0.56 0.00 0.00 36.38 34.07 1sgk s VAL 83 CO 0.03 0.53 -0.21 -0.89 -0.31 0.00 0.00 175.10 174.26 1sgk s THR 84 N -0.08 1.66 -0.30 5.32 2.01 -0.00 -1.65 115.64 122.60 1sgk s THR 84 Ca 0.02 -1.19 -0.08 0.00 0.31 0.00 0.00 61.69 60.75 1sgk s THR 84 Cb -0.13 -1.44 0.00 0.00 0.01 0.00 0.00 72.50 70.94 1sgk s THR 84 CO 0.02 0.21 0.11 -0.31 -0.69 0.00 0.00 174.62 173.97 1sgk s TYR 85 N -0.79 3.16 0.64 4.92 2.02 -0.64 0.33 117.35 127.00 1sgk s TYR 85 Ca 0.07 -0.83 -0.17 0.00 -0.37 0.00 0.00 57.07 55.77 1sgk s TYR 85 Cb -0.09 -2.30 -0.01 0.00 -0.40 0.00 0.00 41.96 39.16 1sgk s TYR 85 CO 0.02 -0.54 1.20 -1.25 -1.57 0.00 0.00 175.55 173.41 1sgk s PRO 86 N 1.54 2.70 3.15 -1.71 0.04 -1.26 -3.39 135.00 136.08 1sgk s PRO 86 Ca 0.03 1.78 0.00 0.00 0.04 0.00 0.00 61.00 62.85 1sgk s PRO 86 Cb -0.17 -1.90 0.00 0.00 0.04 0.00 0.00 34.50 32.47 1sgk s PRO 86 CO 0.04 -1.41 0.00 0.41 0.04 0.00 0.00 177.00 176.08 1sgk n GLY 87 N 0.40 -0.14 3.77 0.56 0.00 -1.26 -4.75 105.19 103.77 1sgk n GLY 87 Ca 0.13 -1.01 -0.36 0.00 0.00 0.00 0.00 46.02 44.78 1sgk n GLY 87 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1sgk s LEU 88 N 0.00 4.27 -0.00 0.99 1.43 -1.26 -0.01 118.68 124.10 1sgk s LEU 88 Ca 0.00 0.40 0.05 0.00 -1.03 0.00 0.00 54.13 53.55 1sgk s LEU 88 Cb 0.00 -2.20 -0.01 0.00 0.03 0.00 0.00 46.19 44.01 1sgk s LEU 88 CO 0.00 0.21 -0.16 -0.89 0.23 0.00 0.00 176.35 175.75 1sgk s THR 89 N 0.01 1.26 -0.36 5.49 2.01 -0.13 0.32 115.64 124.24 1sgk s THR 89 Ca 0.13 -0.74 -0.12 0.00 0.31 0.00 0.00 61.69 61.28 1sgk s THR 89 Cb -0.12 -1.06 0.01 0.00 0.01 0.00 0.00 72.50 71.34 1sgk s THR 89 CO 0.02 0.31 0.21 -0.75 -0.69 0.00 0.00 174.62 173.72 1sgk s LYS 90 N -0.49 3.06 -0.49 4.92 2.47 -0.10 -0.63 119.74 128.46 1sgk s LYS 90 Ca 0.06 -0.93 -0.22 0.00 -1.56 0.00 0.00 55.97 53.32 1sgk s LYS 90 Cb -0.06 -3.74 0.04 0.00 -1.46 0.00 0.00 37.83 32.60 1sgk s LYS 90 CO -0.00 -0.61 0.78 0.08 0.16 0.00 0.00 175.35 175.76 1sgk s VAL 91 N 1.61 4.63 -0.42 4.02 1.01 -0.39 -1.42 120.40 129.46 1sgk s VAL 91 Ca 0.04 0.14 -0.18 0.00 0.00 0.00 0.00 61.98 61.98 1sgk s VAL 91 Cb -0.18 -4.37 0.02 0.00 0.00 0.00 0.00 36.38 31.84 1sgk s VAL 91 CO 0.08 -0.85 0.45 -0.22 0.00 0.00 0.00 175.10 174.56 1sgk s LEU 92 N 3.31 4.79 -0.04 3.92 2.96 -0.10 -2.32 118.68 131.20 1sgk s LEU 92 Ca 0.26 -0.60 -0.27 0.00 -0.22 0.00 0.00 54.13 53.30 1sgk s LEU 92 Cb -0.14 -2.42 -0.03 0.00 0.50 0.00 0.00 46.19 44.10 1sgk s LEU 92 CO 0.19 -0.58 0.88 0.00 -1.32 0.00 0.00 176.35 175.51 1sgk s ALA 93 N 2.20 3.27 -0.12 5.97 0.00 -1.26 -0.47 121.76 131.35 1sgk s ALA 93 Ca 0.13 0.35 -0.07 0.00 0.00 0.00 0.00 51.96 52.37 1sgk s ALA 93 Cb -0.17 -3.21 -0.04 0.00 0.00 0.00 0.00 23.12 19.70 1sgk s ALA 93 CO 0.14 -0.25 0.13 -0.51 0.00 0.00 0.00 175.76 175.27 1sgk s LEU 94 N 1.12 4.33 0.00 0.00 1.43 0.44 -1.08 118.68 124.92 1sgk s LEU 94 Ca 0.46 0.44 0.27 0.00 -1.03 0.00 0.00 54.13 54.26 1sgk s LEU 94 Cb -0.19 -2.06 0.80 0.00 0.03 0.00 0.00 46.19 44.77 1sgk s LEU 94 CO 0.23 0.40 1.61 0.29 0.23 0.00 0.00 176.35 179.10 1sgk n LYS 95 N 2.07 0.31 -3.82 1.70 5.02 0.15 -4.75 118.16 118.83 1sgk n LYS 95 Ca -0.20 -0.15 -0.12 0.00 -2.02 0.00 0.00 58.31 55.82 1sgk n LYS 95 Cb 0.55 -1.50 -0.10 0.00 -0.02 0.00 0.00 35.03 33.96 1sgk n LYS 95 CO 0.00 0.00 0.00 0.08 -0.52 0.00 0.00 177.40 176.96 1sgk s VAL 96 N -2.79 0.06 -0.25 -0.18 1.01 -1.26 -5.04 120.40 111.95 1sgk s VAL 96 Ca 0.18 -0.49 0.12 0.00 0.00 0.00 0.00 61.98 61.79 1sgk s VAL 96 Cb 0.19 -0.46 0.54 0.00 0.00 0.00 0.00 36.38 36.65 1sgk s VAL 96 CO 0.59 -0.27 1.50 -0.90 0.00 0.00 0.00 175.10 176.02 1sgk n ASP 97 N 1.70 3.38 -4.47 3.32 5.75 -1.26 -4.93 116.55 120.04 1sgk n ASP 97 Ca -0.20 -3.37 -0.40 0.00 -0.01 0.00 0.00 54.79 50.80 1sgk n ASP 97 Cb 0.56 -0.61 -0.11 0.00 -1.03 0.00 0.00 41.12 39.93 1sgk n ASP 97 CO 0.00 0.00 0.00 0.21 -0.11 0.00 0.00 177.20 177.30 1sgk s ASN 98 N -2.08 5.90 0.33 -1.12 3.84 -1.26 -4.98 114.94 115.56 1sgk s ASN 98 Ca 0.45 -0.61 0.02 0.00 0.21 0.00 0.00 52.86 52.93 1sgk s ASN 98 Cb 0.38 -2.09 0.56 0.00 -0.55 0.00 0.00 41.25 39.55 1sgk s ASN 98 CO 0.06 -0.28 1.90 0.00 -2.79 0.00 0.00 177.10 175.99 1sgk h ALA 99 N 8.47 1.38 -0.42 1.71 0.00 -1.97 -1.52 119.26 126.91 1sgk h ALA 99 Ca -0.30 -0.15 -0.13 0.00 0.00 0.00 0.00 54.91 54.33 1sgk h ALA 99 Cb 1.14 -0.20 -0.01 0.00 0.00 0.00 0.00 17.79 18.72 1sgk h ALA 99 CO 0.65 0.46 -0.25 0.93 0.00 0.00 0.00 179.25 181.04 1sgk h GLU 100 N 0.70 0.91 0.19 0.00 4.39 -1.99 -1.53 114.58 117.24 1sgk h GLU 100 Ca 0.17 -0.42 -0.01 0.00 0.34 0.00 0.00 59.36 59.44 1sgk h GLU 100 Cb 0.18 -0.02 0.00 0.00 -0.10 0.00 0.00 28.75 28.82 1sgk h GLU 100 CO -0.01 1.07 -0.09 1.15 -1.16 0.00 0.00 179.01 179.97 1sgk h THR 101 N 0.73 0.89 -0.82 1.13 2.02 -1.91 0.28 112.91 115.23 1sgk h THR 101 Ca 0.09 -0.37 0.12 0.00 0.77 0.00 0.00 66.41 67.02 1sgk h THR 101 Cb 0.83 1.11 -0.08 0.00 -1.74 0.00 0.00 68.15 68.26 1sgk h THR 101 CO 0.07 0.08 0.44 0.40 0.37 0.00 0.00 175.52 176.89 1sgk h ILE 102 N -0.43 0.82 -0.41 3.11 2.04 -1.23 0.54 117.51 121.95 1sgk h ILE 102 Ca -0.03 -0.24 -0.14 0.00 1.00 0.00 0.00 64.86 65.46 1sgk h ILE 102 Cb 0.33 0.07 -0.01 0.00 -0.74 0.00 0.00 36.82 36.47 1sgk h ILE 102 CO 0.04 0.13 -0.28 0.11 0.00 0.00 0.00 178.15 178.15 1sgk h LYS 103 N 0.69 0.92 0.70 2.37 1.57 -1.14 0.43 116.57 122.12 1sgk h LYS 103 Ca 0.42 -0.44 -0.03 0.00 -1.87 0.00 0.00 60.65 58.73 1sgk h LYS 103 Cb 0.49 -0.01 0.01 0.00 0.08 0.00 0.00 32.23 32.80 1sgk h LYS 103 CO -0.30 1.10 -0.34 -0.22 -0.57 0.00 0.00 179.45 179.12 1sgk h LYS 104 N 0.75 -0.90 0.00 3.15 3.64 0.54 0.68 116.57 124.42 1sgk h LYS 104 Ca 0.08 0.06 -0.01 0.00 -1.27 0.00 0.00 60.65 59.52 1sgk h LYS 104 Cb 0.87 0.21 -0.00 0.00 -0.41 0.00 0.00 32.23 32.89 1sgk h LYS 104 CO 0.08 -0.60 -0.04 0.93 -2.27 0.00 0.00 179.45 177.55 1sgk h GLU 105 N -1.17 0.00 -0.19 1.90 4.39 -0.03 -0.81 114.58 118.66 1sgk h GLU 105 Ca -0.10 0.00 0.00 0.00 0.34 0.00 0.00 59.36 59.60 1sgk h GLU 105 Cb 0.72 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 29.37 1sgk h GLU 105 CO 0.16 0.04 0.00 1.28 -1.16 0.00 0.00 179.01 179.32 1sgk n LEU 106 N -4.40 2.01 -3.38 1.33 4.77 0.14 -2.85 117.00 114.63 1sgk n LEU 106 Ca -0.03 -0.83 -0.17 0.00 -0.03 0.00 0.00 56.01 54.94 1sgk n LEU 106 Cb 0.12 -0.12 0.04 0.00 -2.33 0.00 0.00 43.42 41.13 1sgk n LEU 106 CO 0.34 0.42 0.06 0.61 -1.33 0.00 0.00 177.39 177.48 1sgk n GLY 107 N 1.20 -1.15 3.77 -0.72 0.00 -0.31 -5.00 105.19 102.99 1sgk n GLY 107 Ca 0.17 0.52 -0.32 0.00 0.00 0.00 0.00 46.02 46.39 1sgk n GLY 107 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1sgk s LEU 108 N -5.35 2.34 0.05 0.99 1.43 0.19 -5.05 118.68 113.29 1sgk s LEU 108 Ca 0.32 -1.61 -0.31 0.00 -1.03 0.00 0.00 54.13 51.50 1sgk s LEU 108 Cb -0.08 -0.78 -0.07 0.00 0.03 0.00 0.00 46.19 45.30 1sgk s LEU 108 CO 0.79 -0.87 1.45 -0.55 0.23 0.00 0.00 176.35 177.40 1sgk s SER 109 N -3.91 6.79 0.00 2.29 0.15 -1.26 -4.78 113.70 112.98 1sgk s SER 109 Ca 0.09 2.25 0.28 0.00 0.70 0.00 0.00 55.95 59.27 1sgk s SER 109 Cb 0.01 -2.57 1.09 0.00 -1.71 0.00 0.00 66.02 62.84 1sgk s SER 109 CO 0.05 -0.73 1.79 0.18 1.20 0.00 0.00 173.24 175.73 1sgk n LEU 110 N 4.97 0.37 0.04 3.45 4.77 -1.26 -3.81 117.00 125.53 1sgk n LEU 110 Ca 0.13 0.12 -0.20 0.00 -0.03 0.00 0.00 56.01 56.03 1sgk n LEU 110 Cb 0.43 -0.27 -0.14 0.00 -2.33 0.00 0.00 43.42 41.11 1sgk n LEU 110 CO 0.59 0.08 -0.05 0.71 -1.33 0.00 0.00 177.39 177.39 1sgk h THR 111 N 0.33 1.42 -3.72 -5.08 1.35 -2.01 -3.47 112.91 101.73 1sgk h THR 111 Ca 0.00 -2.50 -0.49 0.00 -0.55 0.00 0.00 66.41 62.87 1sgk h THR 111 Cb 0.42 3.10 0.02 0.00 -1.73 0.00 0.00 68.15 69.95 1sgk h THR 111 CO 0.00 0.70 0.14 -1.61 -0.25 0.00 0.00 175.52 174.51 1sgk s GLU 112 N -2.43 3.70 0.01 4.72 8.01 -1.25 -5.02 118.70 126.44 1sgk s GLU 112 Ca -0.15 0.42 -0.30 0.00 0.01 0.00 0.00 54.97 54.94 1sgk s GLU 112 Cb 0.01 -2.36 -0.07 0.00 -4.31 0.00 0.00 34.13 27.41 1sgk s GLU 112 CO 0.81 -0.14 1.61 -2.14 0.01 0.00 0.00 175.26 175.41 1sgk s PRO 113 N -4.23 4.21 0.30 0.39 0.02 -1.26 -4.90 135.00 129.52 1sgk s PRO 113 Ca 0.50 2.21 0.01 0.00 0.02 0.00 0.00 61.00 63.75 1sgk s PRO 113 Cb -0.10 -3.74 0.73 0.00 0.02 0.00 0.00 34.50 31.41 1sgk s PRO 113 CO 0.37 -0.74 1.59 1.25 -0.33 0.00 0.00 177.00 179.14 1sgk h LEU 114 N 9.12 -0.35 -1.84 -5.54 5.85 -1.86 0.20 115.31 120.90 1sgk h LEU 114 Ca -0.41 0.25 -0.02 0.00 0.84 0.00 0.00 57.88 58.55 1sgk h LEU 114 Cb 1.19 0.42 -0.00 0.00 0.37 0.00 0.00 40.66 42.64 1sgk h LEU 114 CO 0.93 -0.30 -0.08 0.24 -0.34 0.00 0.00 178.44 178.89 1sgk h MET 115 N 0.05 0.00 0.02 1.25 2.86 -1.61 -0.83 114.93 116.67 1sgk h MET 115 Ca 0.58 0.00 -0.07 0.00 -2.06 0.00 0.00 59.70 58.14 1sgk h MET 115 Cb 1.18 0.00 0.01 0.00 0.06 0.00 0.00 31.60 32.85 1sgk h MET 115 CO -0.84 0.08 -0.30 0.93 1.06 0.00 0.00 176.91 177.85 1sgk h GLU 116 N 0.00 0.17 -0.63 1.72 5.08 -0.90 -3.27 114.58 116.75 1sgk h GLU 116 Ca -0.00 -0.21 0.04 0.00 -1.00 0.00 0.00 59.36 58.19 1sgk h GLU 116 Cb 0.40 0.06 -0.05 0.00 0.50 0.00 0.00 28.75 29.67 1sgk h GLU 116 CO 0.01 0.98 0.37 1.96 -1.00 0.00 0.00 179.01 181.33 1sgk h GLN 117 N -0.55 0.69 -1.02 2.33 4.20 -1.19 -1.96 115.11 117.61 1sgk h GLN 117 Ca -0.04 -0.04 0.27 0.00 0.06 0.00 0.00 58.65 58.90 1sgk h GLN 117 Cb 1.10 -0.16 -0.07 0.00 0.30 0.00 0.00 27.48 28.66 1sgk h GLN 117 CO 0.06 0.46 0.69 0.28 -0.67 0.00 0.00 178.83 179.65 1sgk h VAL 118 N 0.71 0.53 -0.01 -0.54 2.07 -1.23 0.12 116.25 117.91 1sgk h VAL 118 Ca 0.27 -0.08 0.00 0.00 0.82 0.00 0.00 66.70 67.71 1sgk h VAL 118 Cb 0.09 0.28 0.00 0.00 -1.52 0.00 0.00 31.29 30.14 1sgk h VAL 118 CO -0.13 0.04 -0.03 0.61 0.02 0.00 0.00 177.57 178.08 1sgk n GLY 119 N -1.60 -0.21 3.81 2.17 0.00 -0.74 -4.40 105.19 104.22 1sgk n GLY 119 Ca 0.23 -0.40 -0.33 0.00 0.00 0.00 0.00 46.02 45.51 1sgk n GLY 119 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 1sgk s THR 120 N -2.06 4.14 0.38 2.61 -4.23 0.43 -4.87 115.64 112.04 1sgk s THR 120 Ca 0.38 1.23 0.08 0.00 -1.18 0.00 0.00 61.69 62.20 1sgk s THR 120 Cb 0.21 -3.54 0.18 0.00 1.34 0.00 0.00 72.50 70.69 1sgk s THR 120 CO 0.36 -0.39 1.94 1.05 -0.54 0.00 0.00 174.62 177.04 1sgk h GLU 121 N 1.42 0.36 -0.25 3.99 4.11 -1.91 -0.99 114.58 121.31 1sgk h GLU 121 Ca -0.48 -0.07 -0.13 0.00 0.07 0.00 0.00 59.36 58.75 1sgk h GLU 121 Cb 1.20 -0.06 -0.01 0.00 0.50 0.00 0.00 28.75 30.38 1sgk h GLU 121 CO 0.60 0.40 -0.37 1.49 0.07 0.00 0.00 179.01 181.20 1sgk h GLU 122 N 0.35 0.56 -0.06 1.06 4.22 -1.93 0.13 114.58 118.91 1sgk h GLU 122 Ca 0.08 -0.27 -0.07 0.00 0.08 0.00 0.00 59.36 59.18 1sgk h GLU 122 Cb 0.27 -0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.52 1sgk h GLU 122 CO 0.01 0.85 -0.22 0.35 -2.18 0.00 0.00 179.01 177.82 1sgk h PHE 123 N 0.47 0.34 0.00 0.92 3.04 -1.70 -0.32 116.94 119.69 1sgk h PHE 123 Ca 0.05 -0.14 -0.01 0.00 3.98 0.00 0.00 57.97 61.85 1sgk h PHE 123 Cb 0.86 -0.06 -0.00 0.00 2.56 0.00 0.00 35.95 39.32 1sgk h PHE 123 CO 0.03 0.85 -0.03 0.82 -2.02 0.00 0.00 178.31 177.96 1sgk h ILE 124 N -0.27 0.58 0.06 1.41 2.04 -1.09 -0.52 117.51 119.73 1sgk h ILE 124 Ca -0.01 -0.12 -0.00 0.00 1.00 0.00 0.00 64.86 65.72 1sgk h ILE 124 Cb 0.86 1.08 0.00 0.00 -0.74 0.00 0.00 36.82 38.02 1sgk h ILE 124 CO 0.05 0.03 -0.03 0.50 0.00 0.00 0.00 178.15 178.69 1sgk h LYS 125 N 0.00 -0.08 0.07 2.37 3.64 -0.52 -1.37 116.57 120.67 1sgk h LYS 125 Ca -0.00 0.01 -0.00 0.00 -1.27 0.00 0.00 60.65 59.38 1sgk h LYS 125 Cb 0.08 0.02 0.00 0.00 -0.41 0.00 0.00 32.23 31.92 1sgk h LYS 125 CO 0.00 0.48 -0.03 0.00 -2.27 0.00 0.00 179.45 177.63 1sgk h ARG 126 N -0.74 -0.09 -0.01 1.90 3.08 -0.01 -3.37 114.38 115.14 1sgk h ARG 126 Ca -0.01 0.01 0.00 0.00 0.07 0.00 0.00 59.98 60.05 1sgk h ARG 126 Cb 0.60 0.02 0.00 0.00 0.08 0.00 0.00 29.97 30.67 1sgk h ARG 126 CO 0.01 0.03 -0.12 1.19 -1.07 0.00 0.00 179.97 180.01 1sgk n PHE 127 N -5.09 0.00 0.47 3.04 3.01 -0.30 -4.64 117.46 113.95 1sgk n PHE 127 Ca -0.08 0.00 0.11 0.00 1.01 0.00 0.00 57.45 58.49 1sgk n PHE 127 Cb 0.10 0.00 0.45 0.00 -0.01 0.00 0.00 39.48 40.02 1sgk n PHE 127 CO 0.00 0.00 0.00 0.41 1.01 0.00 0.00 176.76 178.18 1sgk n GLY 128 N 0.72 -1.29 3.19 1.37 0.00 -0.52 -4.89 105.19 103.77 1sgk n GLY 128 Ca 0.04 0.04 -0.22 0.00 0.00 0.00 0.00 46.02 45.88 1sgk n GLY 128 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 1sgk n ASP 129 N -2.08 -4.15 0.00 1.61 8.00 -1.26 -0.79 116.55 117.88 1sgk n ASP 129 Ca 0.03 -0.30 0.00 0.00 0.71 0.00 0.00 54.79 55.23 1sgk n ASP 129 Cb 0.25 -3.43 0.00 0.00 -0.02 0.00 0.00 41.12 37.92 1sgk n ASP 129 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 1sgk n GLY 130 N -1.19 0.60 3.91 0.44 0.00 -1.26 -5.06 105.19 102.62 1sgk n GLY 130 Ca -0.05 -0.31 -0.27 0.00 0.00 0.00 0.00 46.02 45.39 1sgk n GLY 130 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1sgk s ALA 131 N -2.00 3.52 0.28 4.61 0.00 0.03 -4.97 121.76 123.24 1sgk s ALA 131 Ca 0.00 -0.56 0.26 0.00 0.00 0.00 0.00 51.96 51.66 1sgk s ALA 131 Cb 0.00 -2.42 1.22 0.00 0.00 0.00 0.00 23.12 21.92 1sgk s ALA 131 CO 0.00 -0.05 1.96 0.77 0.00 0.00 0.00 175.76 178.44 1sgk h SER 132 N 0.93 0.00 -4.99 0.00 0.02 -0.45 -3.47 113.55 105.59 1sgk h SER 132 Ca -0.48 0.00 0.05 0.00 -0.84 0.00 0.00 61.79 60.52 1sgk h SER 132 Cb 1.20 0.00 -0.09 0.00 0.14 0.00 0.00 62.40 63.65 1sgk h SER 132 CO 0.63 0.17 0.28 0.00 -1.14 0.00 0.00 176.83 176.77 1sgk s ARG 133 N -3.92 1.40 -0.04 3.45 1.70 -1.24 -5.05 118.95 115.24 1sgk s ARG 133 Ca -0.01 -0.66 0.03 0.00 -0.47 0.00 0.00 55.73 54.62 1sgk s ARG 133 Cb 0.12 0.55 -0.03 0.00 -0.57 0.00 0.00 34.95 35.02 1sgk s ARG 133 CO 0.60 -0.63 -0.11 0.08 -1.08 0.00 0.00 175.30 174.17 1sgk s VAL 134 N -3.69 3.38 -0.08 4.99 1.01 -1.26 -0.92 120.40 123.83 1sgk s VAL 134 Ca 0.06 -0.67 0.01 0.00 0.00 0.00 0.00 61.98 61.38 1sgk s VAL 134 Cb -0.03 -2.38 0.02 0.00 0.00 0.00 0.00 36.38 34.00 1sgk s VAL 134 CO -0.04 0.55 -0.08 -0.69 0.00 0.00 0.00 175.10 174.84 1sgk s VAL 135 N -0.81 0.93 0.31 2.92 1.01 -0.50 -4.60 120.40 119.66 1sgk s VAL 135 Ca 0.13 -0.31 -0.27 0.00 0.00 0.00 0.00 61.98 61.54 1sgk s VAL 135 Cb -0.11 -0.92 -0.10 0.00 0.00 0.00 0.00 36.38 35.26 1sgk s VAL 135 CO 0.02 0.33 0.95 -0.76 0.00 0.00 0.00 175.10 175.64 1sgk s LEU 136 N 1.16 4.39 -0.06 3.92 1.43 -0.88 -0.92 118.68 127.72 1sgk s LEU 136 Ca -0.06 1.88 0.05 0.00 -1.03 0.00 0.00 54.13 54.97 1sgk s LEU 136 Cb -0.14 -3.94 -0.01 0.00 0.03 0.00 0.00 46.19 42.13 1sgk s LEU 136 CO -0.02 -0.05 -0.21 -0.55 0.23 0.00 0.00 176.35 175.75 1sgk s SER 137 N -1.51 2.65 0.04 2.29 0.15 0.38 -1.16 113.70 116.54 1sgk s SER 137 Ca 0.49 -0.45 -0.00 0.00 0.70 0.00 0.00 55.95 56.69 1sgk s SER 137 Cb -0.20 -0.82 -0.03 0.00 -1.71 0.00 0.00 66.02 63.25 1sgk s SER 137 CO 0.26 0.19 -0.03 -0.76 1.20 0.00 0.00 173.24 174.09 1sgk s LEU 138 N 0.03 2.40 0.31 3.45 1.43 -0.75 -0.42 118.68 125.13 1sgk s LEU 138 Ca -0.06 -0.83 -0.30 0.00 -1.03 0.00 0.00 54.13 51.91 1sgk s LEU 138 Cb -0.14 0.14 -0.11 0.00 0.03 0.00 0.00 46.19 46.12 1sgk s LEU 138 CO 0.04 -0.49 1.58 -2.84 0.23 0.00 0.00 176.35 174.88 1sgk s PRO 139 N -3.07 4.11 0.14 1.29 0.02 -1.26 -1.16 135.00 135.07 1sgk s PRO 139 Ca -0.01 2.59 -0.17 0.00 0.02 0.00 0.00 61.00 63.44 1sgk s PRO 139 Cb 0.02 -3.01 -0.00 0.00 0.02 0.00 0.00 34.50 31.52 1sgk s PRO 139 CO -0.07 -0.63 1.79 0.35 -0.33 0.00 0.00 177.00 178.11 1sgk h PHE 140 N 4.51 0.47 -1.77 6.54 3.57 -1.25 -3.42 116.94 125.59 1sgk h PHE 140 Ca -0.48 0.00 0.27 0.00 3.53 0.00 0.00 57.97 61.30 1sgk h PHE 140 Cb 1.22 -0.16 -0.11 0.00 2.79 0.00 0.00 35.95 39.70 1sgk h PHE 140 CO 0.57 0.32 0.70 0.00 -2.23 0.00 0.00 178.31 177.68 1sgk s ALA 141 N -6.06 -2.02 0.25 2.41 0.00 -1.26 -4.90 121.76 110.17 1sgk s ALA 141 Ca -0.13 0.50 -0.30 0.00 0.00 0.00 0.00 51.96 52.03 1sgk s ALA 141 Cb 0.10 0.45 -0.09 0.00 0.00 0.00 0.00 23.12 23.59 1sgk s ALA 141 CO 0.72 -1.04 1.01 -1.21 0.00 0.00 0.00 175.76 175.24 1sgk s GLU 142 N -2.74 4.76 0.00 0.00 0.41 -1.26 -2.62 118.70 117.24 1sgk s GLU 142 Ca 0.13 1.63 0.00 0.00 -0.41 0.00 0.00 54.97 56.32 1sgk s GLU 142 Cb 0.03 -3.25 0.00 0.00 -1.78 0.00 0.00 34.13 29.13 1sgk s GLU 142 CO -0.02 0.37 0.00 0.41 -0.49 0.00 0.00 175.26 175.53 1sgk n GLY 143 N 1.41 0.63 3.20 -1.39 0.00 -1.26 -5.01 105.19 102.76 1sgk n GLY 143 Ca -0.01 0.00 -0.21 0.00 0.00 0.00 0.00 46.02 45.79 1sgk n GLY 143 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 1sgk s SER 144 N -2.24 1.97 0.00 1.61 0.15 -1.08 -4.92 113.70 109.19 1sgk s SER 144 Ca 0.00 -0.55 0.12 0.00 0.70 0.00 0.00 55.95 56.22 1sgk s SER 144 Cb 0.00 -0.12 0.26 0.00 -1.71 0.00 0.00 66.02 64.45 1sgk s SER 144 CO 0.00 0.03 1.15 -1.54 1.20 0.00 0.00 173.24 174.09 1sgk n SER 145 N 1.59 2.70 -4.79 5.45 3.41 -1.26 -4.61 113.62 116.11 1sgk n SER 145 Ca -0.19 -1.84 -0.28 0.00 -0.26 0.00 0.00 58.87 56.30 1sgk n SER 145 Cb 0.54 -0.17 0.10 0.00 -0.26 0.00 0.00 64.21 64.42 1sgk n SER 145 CO 0.00 0.00 0.00 -0.44 -0.16 0.00 0.00 175.04 174.44 1sgk s SER 146 N -1.02 4.35 0.23 4.04 0.01 -1.26 -4.92 113.70 115.14 1sgk s SER 146 Ca 0.22 0.62 0.09 0.00 1.31 0.00 0.00 55.95 58.19 1sgk s SER 146 Cb 0.13 -1.07 -0.05 0.00 0.21 0.00 0.00 66.02 65.23 1sgk s SER 146 CO 0.17 -1.97 -0.15 0.68 0.41 0.00 0.00 173.24 172.38 1sgk s VAL 147 N -3.55 1.92 -0.10 3.43 -7.23 -1.26 -0.85 120.40 112.76 1sgk s VAL 147 Ca 0.64 -2.25 0.03 0.00 -1.81 0.00 0.00 61.98 58.58 1sgk s VAL 147 Cb -0.10 -2.15 -0.01 0.00 0.56 0.00 0.00 36.38 34.69 1sgk s VAL 147 CO 0.49 -0.52 -0.19 -0.70 -0.31 0.00 0.00 175.10 173.86 1sgk s GLU 148 N -3.62 3.01 -0.13 4.82 2.12 -0.31 -3.16 118.70 121.44 1sgk s GLU 148 Ca 0.25 -0.80 -0.04 0.00 0.36 0.00 0.00 54.97 54.74 1sgk s GLU 148 Cb -0.01 -2.39 -0.03 0.00 0.26 0.00 0.00 34.13 31.95 1sgk s GLU 148 CO 0.09 0.28 0.01 0.71 -0.54 0.00 0.00 175.26 175.81 1sgk s TYR 149 N 0.14 3.15 -0.27 5.30 2.02 0.11 -1.81 117.35 125.98 1sgk s TYR 149 Ca -0.10 0.04 -0.01 0.00 -0.37 0.00 0.00 57.07 56.62 1sgk s TYR 149 Cb -0.16 -1.90 0.04 0.00 -0.40 0.00 0.00 41.96 39.54 1sgk s TYR 149 CO 0.06 0.26 -0.04 0.42 -1.57 0.00 0.00 175.55 174.68 1sgk s ILE 150 N -0.25 2.84 -0.13 2.71 1.01 -0.31 -2.05 121.20 125.02 1sgk s ILE 150 Ca 0.06 -1.24 -0.07 0.00 0.00 0.00 0.00 60.65 59.40 1sgk s ILE 150 Cb -0.12 -2.54 -0.04 0.00 0.01 0.00 0.00 42.46 39.76 1sgk s ILE 150 CO 0.02 0.05 0.11 0.20 0.00 0.00 0.00 174.94 175.32 1sgk s ASN 151 N 1.27 6.09 0.32 3.58 -0.87 0.16 -2.06 114.94 123.42 1sgk s ASN 151 Ca -0.03 0.34 -0.29 0.00 -1.57 0.00 0.00 52.86 51.31 1sgk s ASN 151 Cb -0.18 -1.96 -0.11 0.00 -0.02 0.00 0.00 41.25 38.98 1sgk s ASN 151 CO -0.03 0.35 1.42 0.21 -2.57 0.00 0.00 177.10 176.48 1sgk s ASN 152 N -0.67 6.58 0.23 -1.22 3.84 -1.26 -0.32 114.94 122.13 1sgk s ASN 152 Ca 0.13 2.80 -0.07 0.00 0.21 0.00 0.00 52.86 55.93 1sgk s ASN 152 Cb -0.12 -2.65 0.22 0.00 -0.55 0.00 0.00 41.25 38.15 1sgk s ASN 152 CO 0.02 -0.71 1.89 -0.50 -2.79 0.00 0.00 177.10 175.02 1sgk h TRP 153 N 3.91 1.17 -0.19 0.43 4.06 -1.86 -0.04 115.95 123.44 1sgk h TRP 153 Ca -0.48 0.01 -0.04 0.00 2.06 0.00 0.00 58.89 60.44 1sgk h TRP 153 Cb 1.23 -0.39 -0.01 0.00 -1.00 0.00 0.00 29.16 28.99 1sgk h TRP 153 CO 0.57 0.76 -0.04 1.49 -3.56 0.00 0.00 178.44 177.65 1sgk h GLU 154 N 1.24 0.36 -0.64 0.49 4.57 -1.96 -3.18 114.58 115.46 1sgk h GLU 154 Ca 0.33 -0.14 -0.07 0.00 -1.18 0.00 0.00 59.36 58.30 1sgk h GLU 154 Cb -0.09 -0.02 -0.03 0.00 -0.16 0.00 0.00 28.75 28.45 1sgk h GLU 154 CO -0.07 0.62 0.13 1.96 -1.18 0.00 0.00 179.01 180.48 1sgk h GLN 155 N 0.08 1.02 0.00 1.92 1.08 -1.87 -2.50 115.11 114.84 1sgk h GLN 155 Ca 0.05 -0.24 0.00 0.00 -1.45 0.00 0.00 58.65 57.01 1sgk h GLN 155 Cb 0.49 -0.14 0.00 0.00 -0.05 0.00 0.00 27.48 27.78 1sgk h GLN 155 CO 0.02 0.92 0.00 0.00 -0.95 0.00 0.00 178.83 178.81 1sgk n ALA 156 N -2.46 1.31 0.32 3.87 0.00 -0.04 -1.86 120.51 121.65 1sgk n ALA 156 Ca 0.05 -0.02 0.21 0.00 0.00 0.00 0.00 53.44 53.67 1sgk n ALA 156 Cb 0.26 -1.07 1.01 0.00 0.00 0.00 0.00 19.45 19.66 1sgk n ALA 156 CO 0.00 0.00 0.00 0.87 0.00 0.00 0.00 177.50 178.37 1sgk h LYS 157 N 0.00 0.00 0.00 0.00 1.57 -1.49 -2.58 116.57 114.07 1sgk h LYS 157 Ca 0.00 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.78 1sgk h LYS 157 Cb 0.05 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.36 1sgk h LYS 157 CO 0.00 0.00 -0.26 0.00 -0.57 0.00 0.00 179.45 178.62 1sgk n ALA 158 N -2.08 2.60 -1.75 3.86 0.00 -0.78 -4.75 120.51 117.61 1sgk n ALA 158 Ca -0.02 -0.13 -0.42 0.00 0.00 0.00 0.00 53.44 52.87 1sgk n ALA 158 Cb 0.16 -1.34 -0.02 0.00 0.00 0.00 0.00 19.45 18.26 1sgk n ALA 158 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 177.50 176.99 1sgk s LEU 159 N -4.18 4.35 0.04 0.00 1.43 -0.97 -4.50 118.68 114.85 1sgk s LEU 159 Ca 0.09 2.96 -0.18 0.00 -1.03 0.00 0.00 54.13 55.97 1sgk s LEU 159 Cb 0.14 -3.63 -0.06 0.00 0.03 0.00 0.00 46.19 42.67 1sgk s LEU 159 CO 0.64 -0.94 0.53 -0.44 0.23 0.00 0.00 176.35 176.37 1sgk s SER 160 N 0.64 6.98 -0.11 2.29 0.01 0.15 -4.58 113.70 119.09 1sgk s SER 160 Ca 0.66 1.17 0.04 0.00 1.31 0.00 0.00 55.95 59.12 1sgk s SER 160 Cb -0.49 -2.33 0.00 0.00 0.21 0.00 0.00 66.02 63.41 1sgk s SER 160 CO 0.45 0.26 -0.24 -0.69 0.41 0.00 0.00 173.24 173.44 1sgk s VAL 161 N -0.96 2.06 0.01 3.43 1.01 -1.26 -0.82 120.40 123.86 1sgk s VAL 161 Ca 0.28 -1.01 0.00 0.00 0.00 0.00 0.00 61.98 61.25 1sgk s VAL 161 Cb -0.19 -1.79 -0.01 0.00 0.00 0.00 0.00 36.38 34.40 1sgk s VAL 161 CO 0.17 0.56 -0.01 -1.83 0.00 0.00 0.00 175.10 173.99 1sgk s GLU 162 N 0.43 0.11 0.33 2.72 -1.05 -0.47 -4.85 118.70 115.92 1sgk s GLU 162 Ca -0.17 -0.18 -0.29 0.00 -0.15 0.00 0.00 54.97 54.19 1sgk s GLU 162 Cb -0.18 0.00 -0.11 0.00 -0.44 0.00 0.00 34.13 33.41 1sgk s GLU 162 CO 0.07 -0.01 1.45 -1.17 0.95 0.00 0.00 175.26 176.56 1sgk s LEU 163 N -0.40 4.36 -0.09 1.83 2.96 -1.26 0.06 118.68 126.13 1sgk s LEU 163 Ca -0.04 2.89 -0.10 0.00 -0.22 0.00 0.00 54.13 56.65 1sgk s LEU 163 Cb -0.03 -3.65 -0.03 0.00 0.50 0.00 0.00 46.19 42.98 1sgk s LEU 163 CO -0.00 -0.77 -0.20 -0.62 -1.32 0.00 0.00 176.35 173.44 1sgk n GLU 164 N 1.13 0.30 -3.75 1.98 -0.58 0.13 -4.74 120.64 115.11 1sgk n GLU 164 Ca 0.03 0.12 -0.13 0.00 -0.42 0.00 0.00 57.16 56.76 1sgk n GLU 164 Cb 0.40 -1.00 -0.11 0.00 -0.57 0.00 0.00 31.44 30.16 1sgk n GLU 164 CO 0.00 0.00 0.00 -1.50 -0.48 0.00 0.00 177.13 175.15 1sgk s ILE 165 N -2.16 -0.01 -0.34 -3.67 2.07 -0.85 -4.97 121.20 111.27 1sgk s ILE 165 Ca -0.16 0.02 0.00 0.00 -1.41 0.00 0.00 60.65 59.10 1sgk s ILE 165 Cb 0.02 -0.49 0.09 0.00 0.13 0.00 0.00 42.46 42.21 1sgk s ILE 165 CO 0.24 0.01 0.07 0.21 -1.91 0.00 0.00 174.94 173.55 1sgk s ASN 166 N 0.38 4.92 0.17 4.50 3.84 -1.26 0.17 114.94 127.65 1sgk s ASN 166 Ca -0.02 -1.79 -0.13 0.00 0.21 0.00 0.00 52.86 51.13 1sgk s ASN 166 Cb -0.04 -1.71 0.08 0.00 -0.55 0.00 0.00 41.25 39.03 1sgk s ASN 166 CO -0.01 -0.38 1.80 -0.26 -2.79 0.00 0.00 177.10 175.46 1sgk h PHE 167 N 7.87 0.77 -0.93 0.43 0.04 -1.06 -2.47 116.94 121.59 1sgk h PHE 167 Ca -0.13 -0.01 0.16 0.00 2.80 0.00 0.00 57.97 60.78 1sgk h PHE 167 Cb 1.04 -0.25 -0.08 0.00 2.20 0.00 0.00 35.95 38.86 1sgk h PHE 167 CO 0.55 0.54 0.59 0.93 -0.60 0.00 0.00 178.31 180.33 1sgk h GLU 168 N 0.77 0.69 0.00 1.51 5.08 -1.63 0.11 114.58 121.11 1sgk h GLU 168 Ca 0.20 -0.04 -0.02 0.00 -1.00 0.00 0.00 59.36 58.50 1sgk h GLU 168 Cb 0.02 -0.16 -0.00 0.00 0.50 0.00 0.00 28.75 29.11 1sgk h GLU 168 CO -0.04 0.46 -0.08 1.15 -1.00 0.00 0.00 179.01 179.51 1sgk h THR 169 N 0.71 0.61 0.00 1.13 2.02 -1.75 -2.33 112.91 113.30 1sgk h THR 169 Ca 0.48 -0.33 -0.01 0.00 0.77 0.00 0.00 66.41 67.33 1sgk h THR 169 Cb 0.78 1.20 -0.00 0.00 -1.74 0.00 0.00 68.15 68.39 1sgk h THR 169 CO -0.24 0.08 -0.04 0.03 0.37 0.00 0.00 175.52 175.72 1sgk h ARG 170 N 0.00 0.00 -5.95 6.66 -0.00 -0.79 -3.47 114.38 110.83 1sgk h ARG 170 Ca -0.00 0.00 -0.41 0.00 -0.50 0.00 0.00 59.98 59.07 1sgk h ARG 170 Cb 0.20 0.00 0.09 0.00 0.00 0.00 0.00 29.97 30.26 1sgk h ARG 170 CO 0.01 0.04 -0.74 0.41 0.00 0.00 0.00 179.97 179.69 1sgk n GLY 171 N -0.41 -0.46 3.83 0.04 0.00 -0.88 -5.01 105.19 102.30 1sgk n GLY 171 Ca -0.01 0.19 -0.22 0.00 0.00 0.00 0.00 46.02 45.99 1sgk n GLY 171 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1sgk s LYS 172 N -6.15 2.93 0.80 1.61 -0.14 -1.26 -5.11 119.74 112.41 1sgk s LYS 172 Ca 0.41 -1.06 -0.11 0.00 -1.36 0.00 0.00 55.97 53.85 1sgk s LYS 172 Cb -0.19 -2.57 0.07 0.00 -1.68 0.00 0.00 37.83 33.47 1sgk s LYS 172 CO 0.77 0.38 1.09 1.03 -0.76 0.00 0.00 175.35 177.86 1sgk s ARG 173 N -3.85 2.03 0.00 1.68 3.00 -1.26 -4.83 118.95 115.72 1sgk s ARG 173 Ca 0.33 0.92 0.00 0.00 0.00 0.00 0.00 55.73 56.99 1sgk s ARG 173 Cb -0.08 -1.89 0.00 0.00 0.00 0.00 0.00 34.95 32.98 1sgk s ARG 173 CO 0.25 -1.73 0.00 0.41 0.00 0.00 0.00 175.30 174.23 1sgk n GLY 174 N -1.49 2.51 1.32 -3.53 0.00 -1.26 -1.99 105.19 100.75 1sgk n GLY 174 Ca 0.08 0.02 -0.07 0.00 0.00 0.00 0.00 46.02 46.04 1sgk n GLY 174 CO 0.00 0.00 0.00 -1.06 0.00 0.00 0.00 173.32 172.26 1sgk n GLN 175 N 13.73 1.90 -0.14 1.61 6.02 -1.26 -4.75 117.38 134.48 1sgk n GLN 175 Ca 0.00 -3.19 -0.04 0.00 -0.01 0.00 0.00 57.00 53.75 1sgk n GLN 175 Cb 0.00 -1.87 0.04 0.00 1.02 0.00 0.00 30.24 29.43 1sgk n GLN 175 CO 0.00 0.00 0.00 -0.44 -1.01 0.00 0.00 177.06 175.61 1sgk h ASP 176 N 1.02 0.22 -0.69 1.08 5.19 -1.72 -2.48 116.42 119.04 1sgk h ASP 176 Ca 0.28 0.04 0.02 0.00 -0.62 0.00 0.00 57.03 56.75 1sgk h ASP 176 Cb 1.80 0.01 -0.04 0.00 0.18 0.00 0.00 39.33 41.28 1sgk h ASP 176 CO 0.49 0.16 0.45 0.00 -3.12 0.00 0.00 179.24 177.22 1sgk h ALA 177 N 1.28 0.89 0.54 3.45 0.00 -1.85 -1.41 119.26 122.16 1sgk h ALA 177 Ca 0.21 -0.04 -0.03 0.00 0.00 0.00 0.00 54.91 55.05 1sgk h ALA 177 Cb 0.18 -0.26 0.01 0.00 0.00 0.00 0.00 17.79 17.72 1sgk h ALA 177 CO -0.19 0.26 -0.26 1.98 0.00 0.00 0.00 179.25 181.04 1sgk h MET 178 N 0.90 -0.70 -0.13 0.00 1.85 -1.87 -1.99 114.93 113.00 1sgk h MET 178 Ca 0.26 0.05 -0.01 0.00 -0.61 0.00 0.00 59.70 59.39 1sgk h MET 178 Cb -0.06 0.16 -0.01 0.00 0.43 0.00 0.00 31.60 32.12 1sgk h MET 178 CO -0.07 -0.40 0.01 1.88 -0.40 0.00 0.00 176.91 177.92 1sgk h TYR 179 N -0.89 0.17 -0.36 1.39 0.05 -1.45 0.24 116.97 116.12 1sgk h TYR 179 Ca -0.07 -0.00 -0.11 0.00 0.05 0.00 0.00 58.73 58.60 1sgk h TYR 179 Cb 0.62 -0.06 -0.01 0.00 1.01 0.00 0.00 36.73 38.29 1sgk h TYR 179 CO -0.01 0.17 -0.19 1.49 -1.05 0.00 0.00 178.16 178.58 1sgk h GLU 180 N 0.18 0.76 -0.27 4.88 4.81 -1.22 -0.34 114.58 123.38 1sgk h GLU 180 Ca 0.04 -0.34 -0.04 0.00 -0.13 0.00 0.00 59.36 58.90 1sgk h GLU 180 Cb 0.10 -0.02 -0.01 0.00 0.63 0.00 0.00 28.75 29.45 1sgk h GLU 180 CO -0.00 0.96 0.02 -0.92 -0.73 0.00 0.00 179.01 178.33 1sgk h TYR 181 N 0.55 0.51 -0.24 0.92 3.20 -0.83 -2.67 116.97 118.41 1sgk h TYR 181 Ca 0.08 -0.08 -0.02 0.00 3.14 0.00 0.00 58.73 61.85 1sgk h TYR 181 Cb 0.73 -0.14 -0.01 0.00 1.54 0.00 0.00 36.73 38.85 1sgk h TYR 181 CO 0.06 0.61 0.07 0.52 -1.64 0.00 0.00 178.16 177.78 1sgk h MET 182 N 0.27 0.34 0.00 1.82 2.86 -0.81 -1.05 114.93 118.35 1sgk h MET 182 Ca 0.08 -0.04 0.00 0.00 -2.06 0.00 0.00 59.70 57.68 1sgk h MET 182 Cb 0.39 -0.07 0.00 0.00 0.06 0.00 0.00 31.60 31.99 1sgk h MET 182 CO 0.01 0.31 0.00 0.00 1.06 0.00 0.00 176.91 178.29 1sgk h ALA 183 N 1.75 1.00 0.00 6.32 0.00 -0.71 -2.05 119.26 125.57 1sgk h ALA 183 Ca 0.08 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.99 1sgk h ALA 183 Cb 0.11 0.00 0.00 0.00 0.00 0.00 0.00 17.79 17.90 1sgk h ALA 183 CO -0.01 0.00 0.00 1.96 0.00 0.00 0.00 179.25 181.20 1sgk h GLN 184 N 0.00 0.00 -0.60 0.00 4.20 -1.05 -2.76 115.11 114.90 1sgk h GLN 184 Ca 0.00 0.00 -0.02 0.00 0.06 0.00 0.00 58.65 58.69 1sgk h GLN 184 Cb 0.31 0.00 -0.03 0.00 0.30 0.00 0.00 27.48 28.06 1sgk h GLN 184 CO 0.00 0.00 0.30 0.00 -0.67 0.00 0.00 178.83 178.46 1sgk h ALA 185 N 2.07 1.41 -0.95 3.87 0.00 -1.52 -3.06 119.26 121.08 1sgk h ALA 185 Ca 0.00 -0.11 -0.62 0.00 0.00 0.00 0.00 54.91 54.18 1sgk h ALA 185 Cb 0.23 -0.24 -0.30 0.00 0.00 0.00 0.00 17.79 17.48 1sgk h ALA 185 CO 0.00 0.47 0.64 0.00 0.00 0.00 0.00 179.25 180.36 1sgk n ALA 187 N -0.95 0.00 0.00 0.00 0.00 -1.16 -4.66 120.51 113.75 1sgk n ALA 187 Ca 0.59 0.00 0.00 0.00 0.00 0.00 0.00 53.44 54.03 1sgk n ALA 187 Cb 0.87 0.00 0.00 0.00 0.00 0.00 0.00 19.45 20.32 1sgk n ALA 187 CO 0.00 0.00 0.00 -1.13 0.00 0.00 0.00 177.50 176.37 1sgk n SER 200 N 0.47 0.00 -0.34 0.00 3.41 -1.26 -4.61 113.62 111.29 1sgk n SER 200 Ca 0.00 0.00 0.00 0.00 -0.26 0.00 0.00 58.87 58.61 1sgk n SER 200 Cb 0.00 0.00 0.00 0.00 -0.26 0.00 0.00 64.21 63.95 1sgk n SER 200 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 1sgk s ILE 202 N -0.43 5.15 -0.52 0.00 1.01 -1.26 -4.98 121.20 120.17 1sgk s ILE 202 Ca 0.00 -1.19 0.02 0.00 0.00 0.00 0.00 60.65 59.48 1sgk s ILE 202 Cb 0.00 -4.27 0.13 0.00 0.01 0.00 0.00 42.46 38.34 1sgk s ILE 202 CO 0.00 -0.78 0.28 0.20 0.00 0.00 0.00 174.94 174.64 1sgk s ASN 203 N 3.13 4.67 0.19 3.58 -0.87 -1.26 -4.91 114.94 119.46 1sgk s ASN 203 Ca 0.05 -2.80 0.02 0.00 -1.57 0.00 0.00 52.86 48.56 1sgk s ASN 203 Cb -0.26 -1.70 -0.04 0.00 -0.02 0.00 0.00 41.25 39.23 1sgk s ASN 203 CO 0.06 -0.30 0.33 -0.76 -2.57 0.00 0.00 177.10 173.85 1sgk s LEU 204 N 0.01 4.30 -0.49 0.60 1.02 -1.26 -5.05 118.68 117.80 1sgk s LEU 204 Ca 0.16 0.22 -0.13 0.00 0.02 0.00 0.00 54.13 54.39 1sgk s LEU 204 Cb -0.23 -2.98 0.10 0.00 0.02 0.00 0.00 46.19 43.10 1sgk s LEU 204 CO -0.02 -0.01 0.40 -0.62 0.02 0.00 0.00 176.35 176.12 1sgk s ASP 205 N -3.38 5.99 0.43 2.29 -1.08 -1.26 -4.93 116.67 114.73 1sgk s ASP 205 Ca 0.36 -1.65 0.29 0.00 -0.52 0.00 0.00 52.55 51.03 1sgk s ASP 205 Cb -0.11 -2.13 1.13 0.00 -1.46 0.00 0.00 42.92 40.36 1sgk s ASP 205 CO 0.29 -0.72 1.85 -0.50 0.52 0.00 0.00 175.17 176.62 1sgk h TRP 206 N 8.68 0.00 -0.13 -5.34 4.06 -1.96 -1.99 115.95 119.27 1sgk h TRP 206 Ca -0.27 0.00 -0.02 0.00 2.06 0.00 0.00 58.89 60.67 1sgk h TRP 206 Cb 1.09 0.00 -0.00 0.00 -1.00 0.00 0.00 29.16 29.25 1sgk h TRP 206 CO 0.67 0.00 0.01 -0.44 -3.56 0.00 0.00 178.44 175.11 1sgk h ASP 207 N 0.00 0.21 -0.07 -3.49 3.32 -1.99 0.15 116.42 114.55 1sgk h ASP 207 Ca 0.00 -0.29 -0.00 0.00 0.02 0.00 0.00 57.03 56.75 1sgk h ASP 207 Cb 0.52 -0.06 -0.00 0.00 0.22 0.00 0.00 39.33 40.01 1sgk h ASP 207 CO 0.00 0.45 0.04 0.58 -1.72 0.00 0.00 179.24 178.59 1sgk h VAL 208 N -0.04 1.10 -0.78 -1.35 2.07 -1.94 -0.79 116.25 114.53 1sgk h VAL 208 Ca 0.04 -0.29 0.05 0.00 0.82 0.00 0.00 66.70 67.31 1sgk h VAL 208 Cb 0.34 1.17 -0.05 0.00 -1.52 0.00 0.00 31.29 31.24 1sgk h VAL 208 CO 0.01 0.09 0.51 0.40 0.02 0.00 0.00 177.57 178.59 1sgk h ILE 209 N -0.00 1.08 -0.38 4.57 2.04 -1.30 0.42 117.51 123.93 1sgk h ILE 209 Ca 0.02 -0.31 -0.05 0.00 1.00 0.00 0.00 64.86 65.53 1sgk h ILE 209 Cb 0.11 0.10 -0.01 0.00 -0.74 0.00 0.00 36.82 36.28 1sgk h ILE 209 CO -0.00 0.16 0.03 0.03 0.00 0.00 0.00 178.15 178.37 1sgk h ARG 210 N 0.89 0.65 -0.23 2.37 3.08 -0.04 -2.51 114.38 118.61 1sgk h ARG 210 Ca 0.32 -0.19 -0.07 0.00 0.07 0.00 0.00 59.98 60.12 1sgk h ARG 210 Cb 0.15 -0.07 -0.01 0.00 0.08 0.00 0.00 29.97 30.13 1sgk h ARG 210 CO -0.10 0.73 -0.11 -0.44 -1.07 0.00 0.00 179.97 178.98 1sgk h ASP 211 N 0.49 0.50 -0.60 7.04 3.32 -0.42 -2.92 116.42 123.82 1sgk h ASP 211 Ca 0.11 -0.41 -0.04 0.00 0.02 0.00 0.00 57.03 56.71 1sgk h ASP 211 Cb 0.42 -0.14 -0.03 0.00 0.22 0.00 0.00 39.33 39.80 1sgk h ASP 211 CO 0.01 0.80 0.24 0.11 -1.72 0.00 0.00 179.24 178.68 1sgk h LYS 212 N 0.19 0.93 -0.03 3.56 1.57 -0.97 -1.99 116.57 119.83 1sgk h LYS 212 Ca 0.05 -0.16 0.00 0.00 -1.87 0.00 0.00 60.65 58.67 1sgk h LYS 212 Cb 0.61 -0.16 -0.00 0.00 0.08 0.00 0.00 32.23 32.76 1sgk h LYS 212 CO 0.03 0.77 0.02 1.15 -0.57 0.00 0.00 179.45 180.86 1sgk h THR 213 N 0.91 1.01 -0.59 -0.16 2.02 -1.43 0.39 112.91 115.07 1sgk h THR 213 Ca 0.21 -0.03 -0.06 0.00 0.77 0.00 0.00 66.41 67.31 1sgk h THR 213 Cb 0.20 0.97 -0.02 0.00 -1.74 0.00 0.00 68.15 67.55 1sgk h THR 213 CO -0.02 0.01 0.15 0.50 0.37 0.00 0.00 175.52 176.53 1sgk h LYS 214 N 0.04 0.94 -0.54 6.66 1.63 -1.36 0.49 116.57 124.43 1sgk h LYS 214 Ca 0.01 -0.22 0.05 0.00 -0.85 0.00 0.00 60.65 59.64 1sgk h LYS 214 Cb -0.00 -0.12 -0.05 0.00 -0.60 0.00 0.00 32.23 31.46 1sgk h LYS 214 CO -0.00 0.86 0.27 1.15 -3.45 0.00 0.00 179.45 178.28 1sgk h THR 215 N 0.85 0.95 -0.16 1.00 2.02 -1.11 0.25 112.91 116.71 1sgk h THR 215 Ca 0.19 -0.18 -0.14 0.00 0.77 0.00 0.00 66.41 67.04 1sgk h THR 215 Cb 0.34 0.38 -0.01 0.00 -1.74 0.00 0.00 68.15 67.12 1sgk h THR 215 CO 0.00 0.10 -0.51 0.11 0.37 0.00 0.00 175.52 175.59 1sgk h LYS 216 N 0.53 0.43 -0.02 6.66 1.57 -0.30 -0.82 116.57 124.61 1sgk h LYS 216 Ca 0.24 -0.25 -0.00 0.00 -1.87 0.00 0.00 60.65 58.76 1sgk h LYS 216 Cb 0.15 0.02 -0.00 0.00 0.08 0.00 0.00 32.23 32.48 1sgk h LYS 216 CO -0.17 0.84 0.00 0.82 -0.57 0.00 0.00 179.45 180.38 1sgk h ILE 217 N 0.34 1.20 -0.49 1.86 2.04 0.73 0.12 117.51 123.30 1sgk h ILE 217 Ca 0.01 -0.60 -0.02 0.00 1.00 0.00 0.00 64.86 65.26 1sgk h ILE 217 Cb 1.01 1.56 -0.02 0.00 -0.74 0.00 0.00 36.82 38.63 1sgk h ILE 217 CO 0.09 0.16 0.24 -0.33 0.00 0.00 0.00 178.15 178.31 1sgk h GLU 218 N -0.20 0.70 -0.24 2.37 5.08 -0.90 -2.72 114.58 118.66 1sgk h GLU 218 Ca 0.01 -0.10 -0.01 0.00 -1.00 0.00 0.00 59.36 58.26 1sgk h GLU 218 Cb 0.26 -0.13 -0.01 0.00 0.50 0.00 0.00 28.75 29.37 1sgk h GLU 218 CO 0.00 0.58 0.13 1.03 -1.00 0.00 0.00 179.01 179.75 1sgk h SER 219 N 0.65 0.30 -0.96 1.42 0.87 -1.06 -2.67 113.55 112.11 1sgk h SER 219 Ca 0.17 -0.09 0.16 0.00 -1.23 0.00 0.00 61.79 60.80 1sgk h SER 219 Cb 0.10 -0.08 -0.10 0.00 -0.44 0.00 0.00 62.40 61.89 1sgk h SER 219 CO -0.02 0.31 0.57 -0.07 -0.53 0.00 0.00 176.83 177.09 1sgk h LEU 220 N 0.27 0.76 -0.74 2.23 4.07 -0.56 -1.12 115.31 120.22 1sgk h LEU 220 Ca 0.08 0.08 -0.10 0.00 0.08 0.00 0.00 57.88 58.03 1sgk h LEU 220 Cb 0.08 -0.06 -0.02 0.00 1.08 0.00 0.00 40.66 41.74 1sgk h LEU 220 CO -0.01 0.33 -0.10 0.11 -1.08 0.00 0.00 178.44 177.69 1sgk h LYS 221 N 0.80 0.87 -2.51 1.13 1.57 -1.18 -3.17 116.57 114.07 1sgk h LYS 221 Ca 0.52 -0.29 -0.67 0.00 -1.87 0.00 0.00 60.65 58.34 1sgk h LYS 221 Cb 0.71 -0.07 -0.12 0.00 0.08 0.00 0.00 32.23 32.83 1sgk h LYS 221 CO -0.34 0.92 2.06 0.39 -0.57 0.00 0.00 179.45 181.91 1sgk n GLU 222 N -4.16 4.00 -3.55 3.15 -0.58 -0.42 -4.39 120.64 114.68 1sgk n GLU 222 Ca 0.02 -3.04 -0.27 0.00 -0.42 0.00 0.00 57.16 53.44 1sgk n GLU 222 Cb 0.37 -2.53 -0.15 0.00 -0.57 0.00 0.00 31.44 28.56 1sgk n GLU 222 CO 0.00 0.00 0.00 -1.58 -0.48 0.00 0.00 177.13 175.07 1sgk s HIS 223 N -0.89 0.24 0.00 -0.32 2.46 -1.20 -4.95 115.29 110.63 1sgk s HIS 223 Ca 0.57 -0.66 0.00 0.00 0.47 0.00 0.00 55.06 55.44 1sgk s HIS 223 Cb 0.23 -0.81 0.00 0.00 -0.13 0.00 0.00 32.58 31.87 1sgk s HIS 223 CO -0.11 -0.73 0.21 0.41 -2.47 0.00 0.00 174.74 172.04 1sgk n GLY 224 N 5.26 -0.75 0.40 1.59 0.00 -1.26 0.97 105.19 111.41 1sgk n GLY 224 Ca -0.06 0.15 0.21 0.00 0.00 0.00 0.00 46.02 46.31 1sgk n GLY 224 CO 0.00 0.00 0.00 -2.55 0.00 0.00 0.00 173.32 170.77 1sgk h PRO 225 N 0.00 0.42 0.26 1.61 0.11 -1.97 0.56 132.00 132.99 1sgk h PRO 225 Ca 0.00 -0.03 -0.01 0.00 0.11 0.00 0.00 66.00 66.07 1sgk h PRO 225 Cb 0.00 -0.09 0.00 0.00 0.11 0.00 0.00 31.00 31.02 1sgk h PRO 225 CO 0.00 0.28 -0.13 0.82 -0.21 0.00 0.00 178.00 178.76 1sgk h ILE 226 N 0.43 0.00 0.00 4.15 2.04 0.31 0.29 117.51 124.73 1sgk h ILE 226 Ca 0.57 -0.28 0.00 0.00 1.00 0.00 0.00 64.86 66.14 1sgk h ILE 226 Cb 1.38 0.00 0.00 0.00 -0.74 0.00 0.00 36.82 37.46 1sgk h ILE 226 CO -0.28 0.00 0.01 2.29 0.00 0.00 0.00 178.15 180.16 1sgk n LYS 227 N -3.73 0.05 0.01 2.37 2.85 -0.13 0.03 118.16 119.62 1sgk n LYS 227 Ca -0.04 0.55 -0.21 0.00 -1.05 0.00 0.00 58.31 57.56 1sgk n LYS 227 Cb 0.14 -1.69 -0.14 0.00 -0.65 0.00 0.00 35.03 32.69 1sgk n LYS 227 CO 0.00 0.00 0.00 -0.97 -0.05 0.00 0.00 177.40 176.38 1sgk h ASN 228 N 0.00 0.43 -0.57 -5.58 -0.00 0.16 -3.06 115.58 106.97 1sgk h ASN 228 Ca 0.00 -0.93 -0.04 0.00 -0.00 0.00 0.00 56.30 55.33 1sgk h ASN 228 Cb 0.01 -0.14 -0.03 0.00 -0.00 0.00 0.00 38.32 38.16 1sgk h ASN 228 CO 0.00 1.83 0.23 0.50 -0.00 0.00 0.00 177.43 179.99 1sgk h LYS 229 N 0.08 0.89 -0.19 6.67 1.63 0.34 0.49 116.57 126.48 1sgk h LYS 229 Ca -0.41 -0.15 -0.03 0.00 -0.85 0.00 0.00 60.65 59.22 1sgk h LYS 229 Cb 2.04 -0.15 -0.01 0.00 -0.60 0.00 0.00 32.23 33.51 1sgk h LYS 229 CO 0.10 0.74 0.00 0.52 -3.45 0.00 0.00 179.45 177.36 1sgk h MET 230 N 0.87 0.27 -0.74 1.90 2.86 -0.89 -1.44 114.93 117.76 1sgk h MET 230 Ca 0.20 -0.04 0.01 0.00 -2.06 0.00 0.00 59.70 57.81 1sgk h MET 230 Cb 0.19 -0.05 -0.04 0.00 0.06 0.00 0.00 31.60 31.77 1sgk h MET 230 CO -0.02 0.29 0.49 0.77 1.06 0.00 0.00 176.91 179.51 1sgk h SER 231 N 0.26 0.84 0.79 1.22 0.02 -0.78 -1.29 113.55 114.61 1sgk h SER 231 Ca 0.06 -0.02 0.00 0.00 -0.84 0.00 0.00 61.79 60.99 1sgk h SER 231 Cb 0.18 -0.21 0.00 0.00 0.14 0.00 0.00 62.40 62.51 1sgk h SER 231 CO 0.00 0.61 0.00 -0.62 -1.14 0.00 0.00 176.83 175.68 1sgk n GLU 232 N -4.43 0.19 -1.99 3.45 4.71 -0.55 -4.83 120.64 117.19 1sgk n GLU 232 Ca 0.08 0.39 -0.40 0.00 -0.01 0.00 0.00 57.16 57.22 1sgk n GLU 232 Cb 0.04 -1.84 -0.00 0.00 -1.01 0.00 0.00 31.44 28.63 1sgk n GLU 232 CO 0.00 0.00 0.00 0.45 0.09 0.00 0.00 177.13 177.67 1sgk s SER 233 N -4.19 6.24 0.42 1.62 0.15 -0.49 -4.93 113.70 112.52 1sgk s SER 233 Ca 0.05 2.72 0.11 0.00 0.70 0.00 0.00 55.95 59.54 1sgk s SER 233 Cb 0.10 -2.64 0.91 0.00 -1.71 0.00 0.00 66.02 62.68 1sgk s SER 233 CO 0.41 -0.91 1.99 -0.65 1.20 0.00 0.00 173.24 175.28 1sgk h PRO 234 N 2.64 0.20 -2.43 5.44 0.11 -1.88 -3.46 132.00 132.62 1sgk h PRO 234 Ca -0.50 -0.03 -0.28 0.00 0.11 0.00 0.00 66.00 65.29 1sgk h PRO 234 Cb 1.25 -0.03 -0.07 0.00 0.11 0.00 0.00 31.00 32.26 1sgk h PRO 234 CO 0.62 0.28 -0.31 -1.71 -0.21 0.00 0.00 178.00 176.67 1sgk n ASN 235 N -4.35 -3.99 -3.85 -2.05 4.05 -1.26 -4.90 115.26 98.90 1sgk n ASN 235 Ca -0.01 0.26 -0.11 0.00 0.45 0.00 0.00 54.58 55.17 1sgk n ASN 235 Cb 0.21 -3.53 -0.09 0.00 1.23 0.00 0.00 39.78 37.60 1sgk n ASN 235 CO 0.00 0.00 0.00 -0.75 -3.05 0.00 0.00 177.26 173.46 1sgk s LYS 236 N -4.06 0.66 -0.56 1.20 2.47 -1.26 -4.89 119.74 113.29 1sgk s LYS 236 Ca 0.00 -0.59 -0.27 0.00 -1.56 0.00 0.00 55.97 53.55 1sgk s LYS 236 Cb 0.00 0.27 -0.10 0.00 -1.46 0.00 0.00 37.83 36.55 1sgk s LYS 236 CO 0.00 -0.18 2.45 2.41 0.16 0.00 0.00 175.35 180.19 1sgk n THR 237 N 0.81 -0.05 -3.76 3.43 -1.04 -1.10 -4.14 114.28 108.43 1sgk n THR 237 Ca -0.19 -0.64 -0.22 0.00 -2.04 0.00 0.00 64.05 60.95 1sgk n THR 237 Cb 0.58 -2.38 -0.04 0.00 -1.82 0.00 0.00 70.33 66.67 1sgk n THR 237 CO 0.00 0.00 0.00 0.54 -0.64 0.00 0.00 175.07 174.97 1sgk s VAL 238 N 11.43 2.51 0.43 12.58 0.11 -0.54 -5.01 120.40 141.91 1sgk s VAL 238 Ca 1.05 -1.47 -0.25 0.00 -2.93 0.00 0.00 61.98 58.39 1sgk s VAL 238 Cb -0.38 -2.98 -0.08 0.00 -1.53 0.00 0.00 36.38 31.41 1sgk s VAL 238 CO 0.31 0.00 1.25 -0.94 -3.33 0.00 0.00 175.10 172.39 1sgk s SER 239 N -4.06 6.23 0.38 3.54 1.04 -1.26 -4.69 113.70 114.88 1sgk s SER 239 Ca 0.45 2.53 0.14 0.00 0.48 0.00 0.00 55.95 59.55 1sgk s SER 239 Cb -0.01 -2.63 0.97 0.00 0.10 0.00 0.00 66.02 64.46 1sgk s SER 239 CO 0.26 -0.90 1.81 -0.08 0.98 0.00 0.00 173.24 175.32 1sgk h GLU 240 N 2.43 0.51 -0.21 4.02 4.81 -1.97 0.51 114.58 124.68 1sgk h GLU 240 Ca -0.49 -0.03 -0.03 0.00 -0.13 0.00 0.00 59.36 58.67 1sgk h GLU 240 Cb 1.25 -0.12 -0.01 0.00 0.63 0.00 0.00 28.75 30.51 1sgk h GLU 240 CO 0.62 0.34 0.01 1.49 -0.73 0.00 0.00 179.01 180.73 1sgk h GLU 241 N 0.53 0.37 -0.06 1.92 4.22 -1.99 0.19 114.58 119.76 1sgk h GLU 241 Ca 0.53 -0.11 -0.10 0.00 0.08 0.00 0.00 59.36 59.76 1sgk h GLU 241 Cb 1.15 -0.04 -0.01 0.00 0.50 0.00 0.00 28.75 30.35 1sgk h GLU 241 CO -0.27 0.55 -0.44 -0.22 -2.18 0.00 0.00 179.01 176.46 1sgk h LYS 242 N 0.14 0.14 -0.28 1.92 1.63 -1.50 0.34 116.57 118.96 1sgk h LYS 242 Ca 0.06 -0.07 -0.02 0.00 -0.85 0.00 0.00 60.65 59.77 1sgk h LYS 242 Cb 0.37 -0.00 -0.01 0.00 -0.60 0.00 0.00 32.23 31.99 1sgk h LYS 242 CO 0.01 0.56 0.09 0.00 -3.45 0.00 0.00 179.45 176.65 1sgk h ALA 243 N 1.44 0.37 -0.33 5.00 0.00 0.36 0.37 119.26 126.46 1sgk h ALA 243 Ca 0.01 -0.15 -0.12 0.00 0.00 0.00 0.00 54.91 54.65 1sgk h ALA 243 Cb 0.82 -0.11 -0.01 0.00 0.00 0.00 0.00 17.79 18.49 1sgk h ALA 243 CO 0.06 0.01 -0.27 1.57 0.00 0.00 0.00 179.25 180.63 1sgk h LYS 244 N 0.30 0.68 0.28 0.00 2.10 -0.39 -1.01 116.57 118.53 1sgk h LYS 244 Ca 0.09 -0.29 -0.01 0.00 -2.00 0.00 0.00 60.65 58.44 1sgk h LYS 244 Cb 0.25 -0.03 0.00 0.00 -0.90 0.00 0.00 32.23 31.55 1sgk h LYS 244 CO -0.00 0.88 -0.14 0.37 -2.00 0.00 0.00 179.45 178.56 1sgk h GLN 245 N 0.59 -0.36 0.16 0.07 4.15 -0.55 0.85 115.11 120.02 1sgk h GLN 245 Ca 0.08 0.02 -0.01 0.00 0.77 0.00 0.00 58.65 59.51 1sgk h GLN 245 Cb 0.76 0.08 0.00 0.00 0.21 0.00 0.00 27.48 28.53 1sgk h GLN 245 CO 0.06 -0.22 -0.08 -0.92 -1.93 0.00 0.00 178.83 175.73 1sgk h TYR 246 N -0.40 -0.22 -0.84 3.99 3.20 -0.12 -2.52 116.97 120.06 1sgk h TYR 246 Ca -0.04 -0.00 0.13 0.00 3.14 0.00 0.00 58.73 61.95 1sgk h TYR 246 Cb 0.31 0.07 -0.09 0.00 1.54 0.00 0.00 36.73 38.57 1sgk h TYR 246 CO -0.05 -0.14 0.45 -0.07 -1.64 0.00 0.00 178.16 176.71 1sgk h LEU 247 N -0.23 0.58 -0.89 2.82 3.38 -1.03 0.20 115.31 120.13 1sgk h LEU 247 Ca -0.02 0.08 -0.07 0.00 0.09 0.00 0.00 57.88 57.96 1sgk h LEU 247 Cb 0.18 -0.02 -0.02 0.00 0.09 0.00 0.00 40.66 40.88 1sgk h LEU 247 CO 0.03 0.28 0.06 -0.33 0.09 0.00 0.00 178.44 178.57 1sgk h GLU 248 N 0.68 0.88 -0.48 1.13 5.08 -0.66 0.27 114.58 121.48 1sgk h GLU 248 Ca 0.44 -0.22 -0.04 0.00 -1.00 0.00 0.00 59.36 58.54 1sgk h GLU 248 Cb 0.55 -0.11 -0.02 0.00 0.50 0.00 0.00 28.75 29.67 1sgk h GLU 248 CO -0.32 0.84 0.14 0.93 -1.00 0.00 0.00 179.01 179.59 1sgk h GLU 249 N 0.83 0.76 0.15 2.33 5.08 -0.65 -1.72 114.58 121.35 1sgk h GLU 249 Ca 0.17 -0.17 -0.01 0.00 -1.00 0.00 0.00 59.36 58.35 1sgk h GLU 249 Cb 0.41 -0.10 0.00 0.00 0.50 0.00 0.00 28.75 29.55 1sgk h GLU 249 CO 0.01 0.73 -0.07 0.35 -1.00 0.00 0.00 179.01 179.03 1sgk h PHE 250 N 0.65 -0.19 -0.73 4.33 3.57 -0.08 -2.45 116.94 122.05 1sgk h PHE 250 Ca 0.15 -0.00 0.10 0.00 3.53 0.00 0.00 57.97 61.75 1sgk h PHE 250 Cb 0.30 0.06 -0.07 0.00 2.79 0.00 0.00 35.95 39.03 1sgk h PHE 250 CO 0.02 -0.12 0.37 1.25 -2.23 0.00 0.00 178.31 177.60 1sgk h HIS 251 N -0.20 0.66 -0.11 0.41 2.76 -0.32 0.40 115.15 118.75 1sgk h HIS 251 Ca -0.02 0.03 -0.02 0.00 -2.20 0.00 0.00 60.37 58.16 1sgk h HIS 251 Cb 0.16 -0.18 -0.01 0.00 1.55 0.00 0.00 27.41 28.92 1sgk h HIS 251 CO -0.07 0.23 -0.04 0.37 -1.30 0.00 0.00 177.93 177.12 1sgk h GLN 252 N 0.61 0.15 0.14 5.26 4.15 -0.98 0.26 115.11 124.71 1sgk h GLN 252 Ca 0.36 -0.02 -0.35 0.00 0.77 0.00 0.00 58.65 59.41 1sgk h GLN 252 Cb 0.39 -0.03 -0.01 0.00 0.21 0.00 0.00 27.48 28.04 1sgk h GLN 252 CO -0.28 0.21 -1.87 1.15 -1.93 0.00 0.00 178.83 176.11 1sgk h THR 253 N 0.15 0.77 -0.78 2.39 2.02 -0.83 -3.35 112.91 113.28 1sgk h THR 253 Ca 0.04 -2.44 -0.04 0.00 0.77 0.00 0.00 66.41 64.73 1sgk h THR 253 Cb 0.18 2.61 -0.03 0.00 -1.74 0.00 0.00 68.15 69.16 1sgk h THR 253 CO 0.01 0.86 0.32 0.00 0.37 0.00 0.00 175.52 177.08 1sgk h ALA 254 N 0.16 1.09 0.00 6.16 0.00 0.01 -2.49 119.26 124.19 1sgk h ALA 254 Ca -0.38 -0.19 0.00 0.00 0.00 0.00 0.00 54.91 54.34 1sgk h ALA 254 Cb 2.06 -0.31 0.00 0.00 0.00 0.00 0.00 17.79 19.54 1sgk h ALA 254 CO 0.12 0.65 0.00 -0.11 0.00 0.00 0.00 179.25 179.92 1sgk n LEU 255 N -4.28 0.00 -0.49 0.00 7.94 0.06 -1.74 117.00 118.48 1sgk n LEU 255 Ca 0.07 0.41 0.12 0.00 -1.11 0.00 0.00 56.01 55.51 1sgk n LEU 255 Cb 0.18 -0.41 0.47 0.00 0.53 0.00 0.00 43.42 44.19 1sgk n LEU 255 CO 0.40 -0.23 0.83 -0.62 -1.11 0.00 0.00 177.39 176.67 1sgk n GLU 256 N -1.41 1.65 -2.30 1.96 1.02 -0.94 -4.63 120.64 116.00 1sgk n GLU 256 Ca 0.04 -0.97 -0.41 0.00 -0.02 0.00 0.00 57.16 55.80 1sgk n GLU 256 Cb 0.13 -1.43 -0.03 0.00 -0.02 0.00 0.00 31.44 30.09 1sgk n GLU 256 CO 0.00 0.00 0.00 -1.58 1.18 0.00 0.00 177.13 176.73 1sgk s HIS 257 N -1.90 3.35 -0.71 -0.32 2.46 -0.71 -4.88 115.29 112.58 1sgk s HIS 257 Ca 0.35 1.31 0.08 0.00 0.47 0.00 0.00 55.06 57.27 1sgk s HIS 257 Cb 0.19 -3.51 0.42 0.00 -0.13 0.00 0.00 32.58 29.55 1sgk s HIS 257 CO 0.30 -1.54 1.24 -0.35 -2.47 0.00 0.00 174.74 171.91 1sgk n PRO 258 N 2.70 0.05 0.00 2.88 -0.04 -1.26 -0.47 135.00 138.86 1sgk n PRO 258 Ca 0.06 0.55 0.12 0.00 -0.04 0.00 0.00 63.50 64.18 1sgk n PRO 258 Cb 0.44 -1.67 0.19 0.00 -0.04 0.00 0.00 33.50 32.42 1sgk n PRO 258 CO 0.00 0.00 0.00 0.39 -0.04 0.00 0.00 175.50 175.85 1sgk n GLU 259 N -1.77 0.03 -0.45 0.54 1.02 -1.26 -3.86 120.64 114.88 1sgk n GLU 259 Ca -0.01 0.00 0.05 0.00 -0.02 0.00 0.00 57.16 57.19 1sgk n GLU 259 Cb 0.01 -1.51 0.20 0.00 -0.02 0.00 0.00 31.44 30.12 1sgk n GLU 259 CO 0.00 0.00 0.00 1.28 1.18 0.00 0.00 177.13 179.59 1sgk n LEU 260 N -1.55 3.29 0.05 -4.62 4.77 0.37 -4.80 117.00 114.52 1sgk n LEU 260 Ca 0.05 -3.39 -0.13 0.00 -0.03 0.00 0.00 56.01 52.51 1sgk n LEU 260 Cb 0.34 -0.53 -0.09 0.00 -2.33 0.00 0.00 43.42 40.82 1sgk n LEU 260 CO 0.36 0.96 0.68 0.77 -1.33 0.00 0.00 177.39 178.84 1sgk h SER 261 N 0.92 -0.10 0.09 -1.43 4.64 -1.64 -1.35 113.55 114.66 1sgk h SER 261 Ca 0.06 -0.26 0.02 0.00 -0.47 0.00 0.00 61.79 61.14 1sgk h SER 261 Cb 1.29 0.03 -0.04 0.00 -0.31 0.00 0.00 62.40 63.37 1sgk h SER 261 CO 0.16 0.21 -0.26 -0.33 -0.87 0.00 0.00 176.83 175.74 1sgk h GLU 262 N -0.42 -0.43 -0.84 4.77 3.07 -1.89 -0.10 114.58 118.74 1sgk h GLU 262 Ca -0.01 0.03 0.17 0.00 -0.50 0.00 0.00 59.36 59.05 1sgk h GLU 262 Cb 0.36 0.10 -0.06 0.00 -0.84 0.00 0.00 28.75 28.30 1sgk h GLU 262 CO 0.02 -0.29 0.55 1.25 -1.40 0.00 0.00 179.01 179.15 1sgk h LEU 263 N -0.45 0.44 -1.20 1.33 5.85 -1.90 0.29 115.31 119.67 1sgk h LEU 263 Ca 0.04 0.03 0.01 0.00 0.84 0.00 0.00 57.88 58.80 1sgk h LEU 263 Cb 0.49 -0.05 -0.04 0.00 0.37 0.00 0.00 40.66 41.43 1sgk h LEU 263 CO -0.17 0.21 0.54 0.50 -0.34 0.00 0.00 178.44 179.17 1sgk h LYS 264 N 0.45 1.07 0.11 1.25 3.64 0.14 0.85 116.57 124.09 1sgk h LYS 264 Ca 0.42 -0.06 -0.01 0.00 -1.27 0.00 0.00 60.65 59.73 1sgk h LYS 264 Cb 0.96 -0.24 0.00 0.00 -0.41 0.00 0.00 32.23 32.54 1sgk h LYS 264 CO -0.16 0.71 -0.05 1.15 -2.27 0.00 0.00 179.45 178.83 1sgk h THR 265 N 1.10 0.77 0.00 1.00 2.02 0.46 -3.20 112.91 115.07 1sgk h THR 265 Ca 0.30 -1.30 0.00 0.00 0.77 0.00 0.00 66.41 66.17 1sgk h THR 265 Cb -0.13 1.37 0.00 0.00 -1.74 0.00 0.00 68.15 67.65 1sgk h THR 265 CO -0.06 0.23 0.00 -0.37 0.37 0.00 0.00 175.52 175.68 1sgk h VAL 266 N -0.95 0.00 -0.02 3.16 -1.51 -0.75 -2.63 116.25 113.56 1sgk h VAL 266 Ca -0.01 -0.04 0.00 0.00 -1.23 0.00 0.00 66.70 65.41 1sgk h VAL 266 Cb 0.49 0.87 0.00 0.00 -2.13 0.00 0.00 31.29 30.52 1sgk h VAL 266 CO 0.02 0.00 -0.01 0.35 -1.23 0.00 0.00 177.57 176.71 1sgk n THR 267 N -2.79 0.00 0.16 7.19 -2.24 0.27 -4.66 114.28 112.21 1sgk n THR 267 Ca -0.02 -0.50 0.01 0.00 -2.27 0.00 0.00 64.05 61.27 1sgk n THR 267 Cb 0.08 1.28 0.23 0.00 -2.10 0.00 0.00 70.33 69.83 1sgk n THR 267 CO 0.00 0.00 0.00 1.23 -0.57 0.00 0.00 175.07 175.73 1sgk h GLY 268 N 2.72 0.00 0.00 3.38 0.00 -1.45 -3.38 103.07 104.33 1sgk h GLY 268 Ca 0.00 0.00 -0.33 0.00 0.00 0.00 0.00 47.33 47.00 1sgk h GLY 268 CO 0.00 0.00 -2.26 -0.37 0.00 0.00 0.00 176.54 173.91 1sgk n THR 269 N -3.76 1.26 -2.44 4.70 5.66 -1.26 -4.91 114.28 113.53 1sgk n THR 269 Ca -0.01 -0.56 -0.43 0.00 -3.05 0.00 0.00 64.05 60.01 1sgk n THR 269 Cb 0.57 -1.10 -0.02 0.00 -1.55 0.00 0.00 70.33 68.23 1sgk n THR 269 CO 0.00 0.00 0.00 0.21 -3.05 0.00 0.00 175.07 172.23 1sgk s ASN 270 N -5.91 6.85 0.30 1.09 3.84 -1.26 -4.91 114.94 114.94 1sgk s ASN 270 Ca -0.25 1.49 0.05 0.00 0.21 0.00 0.00 52.86 54.36 1sgk s ASN 270 Cb 0.07 -2.54 0.72 0.00 -0.55 0.00 0.00 41.25 38.95 1sgk s ASN 270 CO 0.57 -0.88 1.75 1.55 -2.79 0.00 0.00 177.10 177.30 1sgk h PRO 271 N 8.57 0.63 -0.34 0.43 0.13 -1.91 -0.55 132.00 138.98 1sgk h PRO 271 Ca -0.26 -0.04 0.10 0.00 -0.87 0.00 0.00 66.00 64.93 1sgk h PRO 271 Cb 1.10 -0.14 -0.01 0.00 0.13 0.00 0.00 31.00 32.07 1sgk h PRO 271 CO 0.99 0.42 0.27 0.28 -0.23 0.00 0.00 178.00 179.74 1sgk h VAL 272 N 0.65 0.68 -0.15 1.56 2.07 -1.95 -0.09 116.25 119.03 1sgk h VAL 272 Ca 0.56 0.00 0.00 0.00 0.82 0.00 0.00 66.70 68.08 1sgk h VAL 272 Cb 0.93 0.80 0.00 0.00 -1.52 0.00 0.00 31.29 31.50 1sgk h VAL 272 CO -0.42 0.00 0.00 0.49 0.02 0.00 0.00 177.57 177.66 1sgk n PHE 273 N -4.20 0.18 -0.76 1.57 3.72 -0.21 -4.39 117.46 113.37 1sgk n PHE 273 Ca 0.05 -0.09 -0.33 0.00 -0.05 0.00 0.00 57.45 57.03 1sgk n PHE 273 Cb 0.44 0.00 0.13 0.00 -0.94 0.00 0.00 39.48 39.12 1sgk n PHE 273 CO 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 176.76 176.71 1sgk n ALA 274 N 0.30 -2.96 -0.06 4.37 0.00 -0.05 -4.81 120.51 117.30 1sgk n ALA 274 Ca 0.16 -0.77 -0.05 0.00 0.00 0.00 0.00 53.44 52.78 1sgk n ALA 274 Cb 0.33 -1.74 0.15 0.00 0.00 0.00 0.00 19.45 18.19 1sgk n ALA 274 CO 0.00 0.00 0.00 0.78 0.00 0.00 0.00 177.50 178.28 1sgk h GLY 275 N -1.69 0.73 0.95 0.00 0.00 -1.91 -2.54 103.07 98.62 1sgk h GLY 275 Ca -0.46 -0.57 0.04 0.00 0.00 0.00 0.00 47.33 46.34 1sgk h GLY 275 CO 0.35 0.52 0.59 0.00 0.00 0.00 0.00 176.54 178.01 1sgk h ALA 276 N 1.21 1.44 -0.09 3.60 0.00 -1.93 0.25 119.26 123.75 1sgk h ALA 276 Ca 0.10 -0.04 -0.14 0.00 0.00 0.00 0.00 54.91 54.83 1sgk h ALA 276 Cb 0.63 -0.31 -0.01 0.00 0.00 0.00 0.00 17.79 18.10 1sgk h ALA 276 CO 0.04 0.46 -0.56 -0.91 0.00 0.00 0.00 179.25 178.28 1sgk h ASN 277 N 1.11 0.30 -0.38 0.00 2.35 -1.77 0.13 115.58 117.33 1sgk h ASN 277 Ca 0.37 -0.16 -0.16 0.00 -0.55 0.00 0.00 56.30 55.79 1sgk h ASN 277 Cb 0.06 -0.09 -0.01 0.00 0.05 0.00 0.00 38.32 38.34 1sgk h ASN 277 CO -0.12 0.80 -0.40 1.88 -1.65 0.00 0.00 177.43 177.94 1sgk h TYR 278 N 0.20 1.13 -0.36 1.19 -1.99 -0.95 -1.09 116.97 115.11 1sgk h TYR 278 Ca -0.00 -0.35 -0.03 0.00 2.00 0.00 0.00 58.73 60.35 1sgk h TYR 278 Cb 1.05 -0.24 -0.01 0.00 2.00 0.00 0.00 36.73 39.53 1sgk h TYR 278 CO 0.02 1.18 0.10 0.00 -0.00 0.00 0.00 178.16 179.46 1sgk h ALA 279 N 0.76 0.47 -0.61 3.88 0.00 -0.71 -0.50 119.26 122.56 1sgk h ALA 279 Ca 0.06 -0.17 0.00 0.00 0.00 0.00 0.00 54.91 54.80 1sgk h ALA 279 Cb 1.00 -0.14 -0.03 0.00 0.00 0.00 0.00 17.79 18.62 1sgk h ALA 279 CO 0.10 0.13 0.39 0.00 0.00 0.00 0.00 179.25 179.87 1sgk h ALA 280 N 0.94 0.77 0.18 0.00 0.00 -0.68 -1.61 119.26 118.86 1sgk h ALA 280 Ca 0.11 -0.05 -0.01 0.00 0.00 0.00 0.00 54.91 54.96 1sgk h ALA 280 Cb 0.28 -0.24 0.00 0.00 0.00 0.00 0.00 17.79 17.83 1sgk h ALA 280 CO -0.00 0.22 -0.09 2.35 0.00 0.00 0.00 179.25 181.73 1sgk h TRP 281 N 0.82 -0.23 -0.68 0.00 2.91 -0.98 -2.45 115.95 115.33 1sgk h TRP 281 Ca 0.22 -0.01 0.13 0.00 1.13 0.00 0.00 58.89 60.36 1sgk h TRP 281 Cb -0.07 0.08 -0.09 0.00 -0.51 0.00 0.00 29.16 28.56 1sgk h TRP 281 CO -0.03 -0.10 0.21 0.00 -1.03 0.00 0.00 178.44 177.49 1sgk h ALA 282 N 0.52 0.89 0.15 2.65 0.00 -0.81 -2.08 119.26 120.57 1sgk h ALA 282 Ca -0.03 0.12 -0.01 0.00 0.00 0.00 0.00 54.91 55.00 1sgk h ALA 282 Cb 0.23 0.14 0.00 0.00 0.00 0.00 0.00 17.79 18.15 1sgk h ALA 282 CO 0.04 -0.26 -0.07 0.28 0.00 0.00 0.00 179.25 179.24 1sgk h VAL 283 N 0.35 0.85 -0.97 0.00 2.07 -1.21 -2.38 116.25 114.97 1sgk h VAL 283 Ca 0.37 0.00 0.06 0.00 0.82 0.00 0.00 66.70 67.95 1sgk h VAL 283 Cb 0.55 0.85 -0.06 0.00 -1.52 0.00 0.00 31.29 31.11 1sgk h VAL 283 CO -0.41 0.00 0.62 -1.13 0.02 0.00 0.00 177.57 176.67 1sgk h ASN 284 N -0.20 1.00 -0.20 0.57 -0.00 -0.90 -1.24 115.58 114.60 1sgk h ASN 284 Ca -0.02 0.01 -0.02 0.00 -0.00 0.00 0.00 56.30 56.27 1sgk h ASN 284 Cb 0.15 -0.20 -0.01 0.00 -0.00 0.00 0.00 38.32 38.26 1sgk h ASN 284 CO 0.03 0.64 0.06 0.58 -0.00 0.00 0.00 177.43 178.75 1sgk h VAL 285 N 1.14 1.19 -0.53 2.57 2.07 -1.33 -2.95 116.25 118.40 1sgk h VAL 285 Ca 0.41 -0.59 0.04 0.00 0.82 0.00 0.00 66.70 67.39 1sgk h VAL 285 Cb 0.15 1.20 -0.03 0.00 -1.52 0.00 0.00 31.29 31.09 1sgk h VAL 285 CO -0.17 0.19 0.35 0.00 0.02 0.00 0.00 177.57 177.96 1sgk h ALA 286 N 0.89 1.81 0.00 1.67 0.00 -0.84 -1.64 119.26 121.14 1sgk h ALA 286 Ca 0.06 -0.02 0.00 0.00 0.00 0.00 0.00 54.91 54.95 1sgk h ALA 286 Cb 0.23 -0.14 0.00 0.00 0.00 0.00 0.00 17.79 17.88 1sgk h ALA 286 CO -0.00 0.12 0.00 1.04 0.00 0.00 0.00 179.25 180.41 1sgk n GLN 287 N -4.47 0.04 -0.00 0.00 6.02 -0.53 -3.84 117.38 114.58 1sgk n GLN 287 Ca 0.07 0.08 0.02 0.00 -0.01 0.00 0.00 57.00 57.15 1sgk n GLN 287 Cb 0.19 -1.55 -0.03 0.00 1.02 0.00 0.00 30.24 29.88 1sgk n GLN 287 CO 0.00 0.00 0.00 1.33 -1.01 0.00 0.00 177.06 177.38 1sgk n VAL 288 N -1.61 0.00 -3.12 5.09 0.24 -0.70 -4.98 118.33 113.25 1sgk n VAL 288 Ca 0.06 -0.17 -0.41 0.00 -2.04 0.00 0.00 64.34 61.78 1sgk n VAL 288 Cb 0.32 0.58 -0.07 0.00 -1.47 0.00 0.00 33.84 33.20 1sgk n VAL 288 CO 0.00 0.00 0.00 -0.63 -2.14 0.00 0.00 176.83 174.06 1sgk s ILE 289 N -2.00 4.95 0.55 1.34 -1.09 -0.74 -5.01 121.20 119.20 1sgk s ILE 289 Ca -0.01 0.90 0.03 0.00 -2.23 0.00 0.00 60.65 59.35 1sgk s ILE 289 Cb 0.02 -3.98 0.03 0.00 -1.58 0.00 0.00 42.46 36.95 1sgk s ILE 289 CO 0.15 -0.10 0.25 1.51 -1.23 0.00 0.00 174.94 175.52 1sgk s ASP 290 N 1.61 4.43 0.14 3.58 1.47 -1.26 -4.59 116.67 122.05 1sgk s ASP 290 Ca 0.25 -1.46 -0.26 0.00 1.18 0.00 0.00 52.55 52.26 1sgk s ASP 290 Cb -0.15 0.58 -0.01 0.00 -0.34 0.00 0.00 42.92 43.00 1sgk s ASP 290 CO 0.11 -1.06 1.59 0.77 0.68 0.00 0.00 175.17 177.27 1sgk h SER 291 N 0.94 -1.16 0.21 2.11 4.64 -1.97 0.14 113.55 118.47 1sgk h SER 291 Ca -0.39 0.17 0.01 0.00 -0.47 0.00 0.00 61.79 61.11 1sgk h SER 291 Cb 1.32 0.50 -0.03 0.00 -0.31 0.00 0.00 62.40 63.87 1sgk h SER 291 CO 0.63 -0.37 -0.30 -0.08 -0.87 0.00 0.00 176.83 175.84 1sgk h GLU 292 N -0.39 -0.56 -0.14 4.77 4.81 -1.97 -2.02 114.58 119.08 1sgk h GLU 292 Ca 0.11 0.04 0.05 0.00 -0.13 0.00 0.00 59.36 59.43 1sgk h GLU 292 Cb 0.57 0.13 -0.06 0.00 0.63 0.00 0.00 28.75 30.03 1sgk h GLU 292 CO -0.43 -0.37 -0.23 1.15 -0.73 0.00 0.00 179.01 178.39 1sgk h THR 293 N -0.58 0.43 -0.92 0.32 2.02 -1.83 -1.61 112.91 110.74 1sgk h THR 293 Ca 0.01 0.00 0.18 0.00 0.77 0.00 0.00 66.41 67.36 1sgk h THR 293 Cb 0.57 0.43 -0.08 0.00 -1.74 0.00 0.00 68.15 67.34 1sgk h THR 293 CO -0.12 0.00 0.59 0.00 0.37 0.00 0.00 175.52 176.36 1sgk h ALA 294 N 0.68 1.95 -0.00 6.16 0.00 -0.54 0.16 119.26 127.67 1sgk h ALA 294 Ca 0.10 0.03 0.00 0.00 0.00 0.00 0.00 54.91 55.04 1sgk h ALA 294 Cb 0.44 -0.08 0.00 0.00 0.00 0.00 0.00 17.79 18.16 1sgk h ALA 294 CO -0.30 -0.24 -0.10 -0.25 0.00 0.00 0.00 179.25 178.36 1sgk n ASP 295 N -4.58 0.34 -4.02 0.00 8.00 -0.64 -4.70 116.55 110.94 1sgk n ASP 295 Ca 0.19 -0.41 -0.31 0.00 0.71 0.00 0.00 54.79 54.97 1sgk n ASP 295 Cb 0.58 -0.13 -0.16 0.00 -0.02 0.00 0.00 41.12 41.39 1sgk n ASP 295 CO 0.00 0.00 0.00 0.21 -0.39 0.00 0.00 177.20 177.02 1sgk s ASN 296 N -2.54 3.48 0.13 -2.24 3.84 0.56 -5.02 114.94 113.14 1sgk s ASN 296 Ca 0.27 -0.91 -0.25 0.00 0.21 0.00 0.00 52.86 52.18 1sgk s ASN 296 Cb 0.20 -1.31 -0.03 0.00 -0.55 0.00 0.00 41.25 39.56 1sgk s ASN 296 CO 0.48 -0.13 1.63 0.25 -2.79 0.00 0.00 177.10 176.55 1sgk h LEU 297 N 7.94 -0.80 -0.62 3.21 6.46 -1.84 0.12 115.31 129.78 1sgk h LEU 297 Ca -0.29 0.12 0.10 0.00 -0.12 0.00 0.00 57.88 57.69 1sgk h LEU 297 Cb 1.10 0.34 -0.08 0.00 -0.73 0.00 0.00 40.66 41.29 1sgk h LEU 297 CO 0.50 -0.32 0.21 -0.08 -0.62 0.00 0.00 178.44 178.13 1sgk h GLU 298 N -0.36 0.36 0.00 1.25 4.57 -1.92 0.36 114.58 118.84 1sgk h GLU 298 Ca 0.09 -0.02 -0.10 0.00 -1.18 0.00 0.00 59.36 58.14 1sgk h GLU 298 Cb 0.48 -0.08 -0.01 0.00 -0.16 0.00 0.00 28.75 28.98 1sgk h GLU 298 CO -0.28 0.24 -0.49 0.87 -1.18 0.00 0.00 179.01 178.17 1sgk h LYS 299 N 0.37 0.00 -0.03 1.92 1.57 -1.73 -1.15 116.57 117.52 1sgk h LYS 299 Ca 0.32 0.00 -0.01 0.00 -1.87 0.00 0.00 60.65 59.09 1sgk h LYS 299 Cb 0.43 0.00 -0.00 0.00 0.08 0.00 0.00 32.23 32.74 1sgk h LYS 299 CO -0.34 0.49 -0.01 1.15 -0.57 0.00 0.00 179.45 180.16 1sgk h THR 300 N 0.00 1.32 -0.80 -0.16 2.02 0.48 -1.97 112.91 113.80 1sgk h THR 300 Ca -0.00 -0.97 0.02 0.00 0.77 0.00 0.00 66.41 66.23 1sgk h THR 300 Cb 0.93 1.92 -0.05 0.00 -1.74 0.00 0.00 68.15 69.21 1sgk h THR 300 CO 0.06 0.26 0.52 0.74 0.37 0.00 0.00 175.52 177.47 1sgk h THR 301 N -0.33 1.15 -0.50 3.16 2.02 -0.90 0.21 112.91 117.71 1sgk h THR 301 Ca 0.01 -0.35 0.03 0.00 0.77 0.00 0.00 66.41 66.86 1sgk h THR 301 Cb 0.43 0.03 -0.03 0.00 -1.74 0.00 0.00 68.15 66.83 1sgk h THR 301 CO 0.00 0.19 0.30 0.00 0.37 0.00 0.00 175.52 176.38 1sgk h ALA 302 N 1.32 0.64 0.26 6.16 0.00 -1.15 0.26 119.26 126.76 1sgk h ALA 302 Ca 0.31 -0.01 -0.01 0.00 0.00 0.00 0.00 54.91 55.20 1sgk h ALA 302 Cb -0.03 -0.14 0.00 0.00 0.00 0.00 0.00 17.79 17.63 1sgk h ALA 302 CO -0.10 -0.01 -0.12 0.00 0.00 0.00 0.00 179.25 179.02 1sgk h ALA 303 N 1.23 -0.34 -0.98 0.00 0.00 -0.76 -3.23 119.26 115.18 1sgk h ALA 303 Ca 0.20 -0.19 0.06 0.00 0.00 0.00 0.00 54.91 54.98 1sgk h ALA 303 Cb 0.03 0.13 -0.06 0.00 0.00 0.00 0.00 17.79 17.89 1sgk h ALA 303 CO -0.10 -0.50 0.63 -0.07 0.00 0.00 0.00 179.25 179.21 1sgk h LEU 304 N -0.73 1.01 -1.15 0.00 3.38 -0.47 -2.99 115.31 114.36 1sgk h LEU 304 Ca -0.04 0.01 0.00 0.00 0.09 0.00 0.00 57.88 57.94 1sgk h LEU 304 Cb 0.49 -0.21 0.00 0.00 0.09 0.00 0.00 40.66 41.03 1sgk h LEU 304 CO 0.06 0.66 0.00 -1.54 0.09 0.00 0.00 178.44 177.71 1sgk n SER 305 N -4.51 0.46 -0.78 -0.43 3.41 0.90 -2.02 113.62 110.66 1sgk n SER 305 Ca 0.14 0.71 0.07 0.00 -0.26 0.00 0.00 58.87 59.53 1sgk n SER 305 Cb 0.16 -0.77 0.20 0.00 -0.26 0.00 0.00 64.21 63.53 1sgk n SER 305 CO 0.00 0.00 0.00 2.30 -0.16 0.00 0.00 175.04 177.18 1sgk n ILE 306 N -2.12 1.40 -3.57 -1.33 -5.35 -1.13 -4.99 119.36 102.27 1sgk n ILE 306 Ca -0.01 -1.25 -0.33 0.00 -0.27 0.00 0.00 62.75 60.89 1sgk n ILE 306 Cb 0.04 0.28 -0.05 0.00 -1.74 0.00 0.00 39.64 38.16 1sgk n ILE 306 CO 0.00 0.00 0.00 -0.76 -1.76 0.00 0.00 176.55 174.03 1sgk s LEU 307 N -1.54 4.28 0.59 7.28 1.43 -0.86 -5.10 118.68 124.77 1sgk s LEU 307 Ca 0.30 0.76 -0.03 0.00 -1.03 0.00 0.00 54.13 54.13 1sgk s LEU 307 Cb 0.20 -3.25 0.03 0.00 0.03 0.00 0.00 46.19 43.19 1sgk s LEU 307 CO 0.15 0.08 0.86 -2.16 0.23 0.00 0.00 176.35 175.51 1sgk s PRO 308 N -2.35 2.67 0.00 1.29 0.04 -1.26 -4.54 135.00 130.85 1sgk s PRO 308 Ca 0.39 -0.33 0.00 0.00 0.04 0.00 0.00 61.00 61.10 1sgk s PRO 308 Cb -0.13 -2.34 0.00 0.00 0.04 0.00 0.00 34.50 32.07 1sgk s PRO 308 CO 0.21 -0.77 0.00 0.41 0.04 0.00 0.00 177.00 176.89 1sgk n GLY 309 N -2.53 0.48 0.24 0.56 0.00 -1.26 -4.91 105.19 97.76 1sgk n GLY 309 Ca 0.06 -0.48 0.13 0.00 0.00 0.00 0.00 46.02 45.72 1sgk n GLY 309 CO 0.00 0.00 0.00 1.19 0.00 0.00 0.00 173.32 174.51 1sgk h ILE 310 N 0.00 0.20 -0.19 -0.61 2.10 -1.98 -3.06 117.51 113.97 1sgk h ILE 310 Ca 0.00 -0.93 0.03 0.00 1.08 0.00 0.00 64.86 65.04 1sgk h ILE 310 Cb 0.00 1.78 -0.01 0.00 -1.09 0.00 0.00 36.82 37.50 1sgk h ILE 310 CO 0.00 0.09 0.13 1.23 -1.08 0.00 0.00 178.15 178.52 1sgk h GLY 311 N 2.73 0.16 0.84 8.18 0.00 -1.92 -0.85 103.07 112.21 1sgk h GLY 311 Ca -0.00 -0.06 -0.01 0.00 0.00 0.00 0.00 47.33 47.26 1sgk h GLY 311 CO 0.01 0.05 -0.24 1.76 0.00 0.00 0.00 176.54 178.12 1sgk h SER 312 N 0.15 -0.62 0.26 0.19 0.02 -1.74 0.44 113.55 112.25 1sgk h SER 312 Ca 0.08 0.04 -0.11 0.00 -0.84 0.00 0.00 61.79 60.97 1sgk h SER 312 Cb 0.14 0.19 -0.01 0.00 0.14 0.00 0.00 62.40 62.86 1sgk h SER 312 CO -0.01 -0.37 -0.42 1.62 -1.14 0.00 0.00 176.83 176.50 1sgk h VAL 313 N -0.58 1.31 0.00 2.27 3.04 -1.63 -2.93 116.25 117.74 1sgk h VAL 313 Ca -0.03 -1.54 -0.01 0.00 -1.01 0.00 0.00 66.70 64.11 1sgk h VAL 313 Cb 0.49 1.71 -0.00 0.00 -2.01 0.00 0.00 31.29 31.48 1sgk h VAL 313 CO 0.01 0.46 -0.05 0.24 -1.01 0.00 0.00 177.57 177.23 1sgk h MET 314 N 0.18 0.00 -3.53 4.17 2.86 -0.85 -3.43 114.93 114.32 1sgk h MET 314 Ca 0.02 0.00 -0.17 0.00 -2.06 0.00 0.00 59.70 57.49 1sgk h MET 314 Cb 0.83 0.00 0.07 0.00 0.06 0.00 0.00 31.60 32.56 1sgk h MET 314 CO 0.06 0.05 -0.34 0.41 1.06 0.00 0.00 176.91 178.15 1sgk n GLY 315 N 0.74 0.14 3.09 8.32 0.00 0.14 -4.04 105.19 113.59 1sgk n GLY 315 Ca 0.03 -0.22 -0.31 0.00 0.00 0.00 0.00 46.02 45.51 1sgk n GLY 315 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1sgk s ILE 316 N -3.16 1.81 -0.04 -0.61 1.01 -0.60 0.18 121.20 119.78 1sgk s ILE 316 Ca 0.11 -0.81 -0.29 0.00 0.00 0.00 0.00 60.65 59.66 1sgk s ILE 316 Cb -0.05 -1.64 0.09 0.00 0.01 0.00 0.00 42.46 40.87 1sgk s ILE 316 CO 0.34 0.50 0.78 0.00 0.00 0.00 0.00 174.94 176.56 1sgk s ALA 317 N 1.14 -1.79 -1.42 9.38 0.00 -0.38 -4.63 121.76 124.05 1sgk s ALA 317 Ca -0.01 1.24 -0.08 0.00 0.00 0.00 0.00 51.96 53.10 1sgk s ALA 317 Cb -0.14 -0.01 0.05 0.00 0.00 0.00 0.00 23.12 23.01 1sgk s ALA 317 CO -0.07 -0.45 0.62 -0.25 0.00 0.00 0.00 175.76 175.61 1sgk n ASP 318 N 0.55 -4.80 0.00 0.00 8.00 -1.26 -1.36 116.55 117.68 1sgk n ASP 318 Ca -0.15 -0.41 0.00 0.00 0.71 0.00 0.00 54.79 54.94 1sgk n ASP 318 Cb 0.59 -3.90 0.00 0.00 -0.02 0.00 0.00 41.12 37.79 1sgk n ASP 318 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 1sgk n GLY 319 N -1.39 0.85 3.21 0.44 0.00 -1.26 -5.03 105.19 102.01 1sgk n GLY 319 Ca -0.04 0.00 -0.21 0.00 0.00 0.00 0.00 46.02 45.77 1sgk n GLY 319 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1sgk s ALA 320 N -3.32 1.46 -0.54 4.61 0.00 -0.46 -5.09 121.76 118.41 1sgk s ALA 320 Ca 0.00 -1.06 -0.18 0.00 0.00 0.00 0.00 51.96 50.72 1sgk s ALA 320 Cb 0.00 -0.19 0.09 0.00 0.00 0.00 0.00 23.12 23.02 1sgk s ALA 320 CO 0.00 0.27 0.59 0.08 0.00 0.00 0.00 175.76 176.70 1sgk s VAL 321 N -1.11 4.98 0.08 0.00 1.01 -1.26 -1.25 120.40 122.85 1sgk s VAL 321 Ca 0.03 -0.99 -0.12 0.00 0.00 0.00 0.00 61.98 60.90 1sgk s VAL 321 Cb -0.09 -4.35 -0.25 0.00 0.00 0.00 0.00 36.38 31.69 1sgk s VAL 321 CO 0.03 -0.90 1.18 0.45 0.00 0.00 0.00 175.10 175.85 1sgk h HIS 322 N 9.01 0.92 -1.93 5.22 -0.00 0.16 -3.39 115.15 125.15 1sgk h HIS 322 Ca -0.29 -0.54 -0.64 0.00 -0.00 0.00 0.00 60.37 58.90 1sgk h HIS 322 Cb 1.10 -0.09 -0.14 0.00 -0.00 0.00 0.00 27.41 28.27 1sgk h HIS 322 CO 0.76 1.38 1.08 -1.01 -0.00 0.00 0.00 177.93 180.13 1sgk s HIS 323 N -3.16 2.82 -0.21 2.45 3.76 -1.11 -4.78 115.29 115.06 1sgk s HIS 323 Ca -0.09 -1.06 0.11 0.00 -0.15 0.00 0.00 55.06 53.88 1sgk s HIS 323 Cb 0.07 -4.46 0.42 0.00 1.11 0.00 0.00 32.58 29.72 1sgk s HIS 323 CO 0.91 -1.70 1.22 0.27 -0.85 0.00 0.00 174.74 174.59 1sgk n ASN 324 N 7.66 1.86 -4.23 1.40 0.23 -1.26 -4.78 115.26 116.14 1sgk n ASN 324 Ca 0.24 -3.84 -0.18 0.00 -0.53 0.00 0.00 54.58 50.27 1sgk n ASN 324 Cb 0.50 -0.51 -0.11 0.00 -2.08 0.00 0.00 39.78 37.57 1sgk n ASN 324 CO 0.00 0.00 0.00 0.42 -0.93 0.00 0.00 177.26 176.75 1sgk s THR 325 N -3.21 1.29 0.23 5.53 -4.23 -1.26 -5.01 115.64 108.97 1sgk s THR 325 Ca 0.39 -1.61 -0.05 0.00 -1.18 0.00 0.00 61.69 59.24 1sgk s THR 325 Cb 0.37 -1.42 0.09 0.00 1.34 0.00 0.00 72.50 72.88 1sgk s THR 325 CO -0.07 -0.35 1.70 -0.33 -0.54 0.00 0.00 174.62 175.03 1sgk h GLU 326 N 3.74 0.89 0.18 3.99 3.07 -1.95 -2.14 114.58 122.36 1sgk h GLU 326 Ca -0.40 -0.27 -0.01 0.00 -0.50 0.00 0.00 59.36 58.18 1sgk h GLU 326 Cb 1.19 -0.09 0.00 0.00 -0.84 0.00 0.00 28.75 29.02 1sgk h GLU 326 CO 0.47 0.90 -0.09 1.49 -1.40 0.00 0.00 179.01 180.39 1sgk h GLU 327 N 0.82 -0.24 -0.06 2.33 4.57 -1.96 -1.73 114.58 118.30 1sgk h GLU 327 Ca 0.15 0.02 -0.13 0.00 -1.18 0.00 0.00 59.36 58.21 1sgk h GLU 327 Cb 0.52 0.05 -0.01 0.00 -0.16 0.00 0.00 28.75 29.16 1sgk h GLU 327 CO 0.03 -0.16 -0.56 0.82 -1.18 0.00 0.00 179.01 177.96 1sgk h ILE 328 N -0.25 1.38 -0.36 2.32 2.04 -1.96 -2.02 117.51 118.66 1sgk h ILE 328 Ca -0.02 -1.90 -0.12 0.00 1.00 0.00 0.00 64.86 63.82 1sgk h ILE 328 Cb 0.20 1.96 -0.01 0.00 -0.74 0.00 0.00 36.82 38.23 1sgk h ILE 328 CO 0.03 0.56 -0.24 0.58 0.00 0.00 0.00 178.15 179.08 1sgk h VAL 329 N 0.14 1.29 -0.76 1.67 2.07 -1.35 -2.25 116.25 117.06 1sgk h VAL 329 Ca -0.00 -1.39 -0.05 0.00 0.82 0.00 0.00 66.70 66.08 1sgk h VAL 329 Cb 1.04 1.39 -0.03 0.00 -1.52 0.00 0.00 31.29 32.16 1sgk h VAL 329 CO 0.08 0.46 0.29 0.00 0.02 0.00 0.00 177.57 178.42 1sgk h ALA 330 N 0.77 1.09 -0.51 1.67 0.00 -1.19 -1.32 119.26 119.77 1sgk h ALA 330 Ca 0.07 -0.19 -0.01 0.00 0.00 0.00 0.00 54.91 54.78 1sgk h ALA 330 Cb 0.81 -0.30 -0.02 0.00 0.00 0.00 0.00 17.79 18.28 1sgk h ALA 330 CO 0.07 0.64 0.30 1.96 0.00 0.00 0.00 179.25 182.22 1sgk h GLN 331 N 1.10 0.70 -0.32 0.00 4.20 -1.25 -0.56 115.11 118.98 1sgk h GLN 331 Ca 0.25 -0.07 -0.07 0.00 0.06 0.00 0.00 58.65 58.82 1sgk h GLN 331 Cb 0.22 -0.14 -0.01 0.00 0.30 0.00 0.00 27.48 27.85 1sgk h GLN 331 CO -0.02 0.52 -0.08 1.03 -0.67 0.00 0.00 178.83 179.61 1sgk h SER 332 N 0.68 0.62 0.12 1.46 0.87 -1.05 -1.29 113.55 114.96 1sgk h SER 332 Ca 0.18 -0.37 -0.01 0.00 -1.23 0.00 0.00 61.79 60.37 1sgk h SER 332 Cb 0.01 -0.17 0.00 0.00 -0.44 0.00 0.00 62.40 61.80 1sgk h SER 332 CO -0.03 0.85 -0.06 0.40 -0.53 0.00 0.00 176.83 177.46 1sgk h ILE 333 N 0.39 0.91 -0.71 2.23 2.04 -1.15 -1.05 117.51 120.18 1sgk h ILE 333 Ca 0.08 -0.11 0.08 0.00 1.00 0.00 0.00 64.86 65.91 1sgk h ILE 333 Cb 0.58 0.98 -0.07 0.00 -0.74 0.00 0.00 36.82 37.58 1sgk h ILE 333 CO 0.03 0.03 0.37 0.00 0.00 0.00 0.00 178.15 178.58 1sgk h ALA 334 N 0.67 0.97 -0.49 1.87 0.00 -1.08 0.94 119.26 122.14 1sgk h ALA 334 Ca -0.02 0.04 -0.06 0.00 0.00 0.00 0.00 54.91 54.87 1sgk h ALA 334 Cb 0.17 -0.08 -0.02 0.00 0.00 0.00 0.00 17.79 17.86 1sgk h ALA 334 CO 0.03 -0.01 0.06 1.25 0.00 0.00 0.00 179.25 180.58 1sgk h LEU 335 N 0.64 0.73 -0.39 0.00 5.85 -1.07 -1.63 115.31 119.45 1sgk h LEU 335 Ca 0.34 -0.15 -0.15 0.00 0.84 0.00 0.00 57.88 58.75 1sgk h LEU 335 Cb 0.31 -0.19 -0.01 0.00 0.37 0.00 0.00 40.66 41.14 1sgk h LEU 335 CO -0.24 0.77 -0.36 -1.28 -0.34 0.00 0.00 178.44 176.98 1sgk h SER 336 N 0.74 0.98 0.29 1.25 0.87 0.08 -2.51 113.55 115.25 1sgk h SER 336 Ca 0.15 -0.46 -0.01 0.00 -1.23 0.00 0.00 61.79 60.24 1sgk h SER 336 Cb 0.37 -0.28 0.00 0.00 -0.44 0.00 0.00 62.40 62.05 1sgk h SER 336 CO 0.01 1.24 -0.14 -1.28 -0.53 0.00 0.00 176.83 176.13 1sgk h SER 337 N 0.74 -0.33 -0.73 6.23 0.87 -0.59 -1.62 113.55 118.12 1sgk h SER 337 Ca 0.06 0.00 0.12 0.00 -1.23 0.00 0.00 61.79 60.74 1sgk h SER 337 Cb 0.95 0.09 -0.08 0.00 -0.44 0.00 0.00 62.40 62.92 1sgk h SER 337 CO 0.09 -0.23 0.33 -0.07 -0.53 0.00 0.00 176.83 176.42 1sgk h LEU 338 N -0.41 0.36 -1.16 2.23 -0.00 -1.28 -1.99 115.31 113.06 1sgk h LEU 338 Ca -0.04 0.09 -0.08 0.00 -0.00 0.00 0.00 57.88 57.84 1sgk h LEU 338 Cb 0.31 0.04 -0.01 0.00 -0.00 0.00 0.00 40.66 41.00 1sgk h LEU 338 CO 0.07 0.18 -0.35 0.24 -0.00 0.00 0.00 178.44 178.57 1sgk h MET 339 N 0.51 0.12 -0.09 1.13 2.86 -1.24 -2.80 114.93 115.42 1sgk h MET 339 Ca 0.38 -0.05 -0.17 0.00 -2.06 0.00 0.00 59.70 57.81 1sgk h MET 339 Cb 0.51 -0.01 0.01 0.00 0.06 0.00 0.00 31.60 32.17 1sgk h MET 339 CO -0.34 0.46 -0.60 0.28 1.06 0.00 0.00 176.91 177.77 1sgk h VAL 340 N 0.11 1.35 -0.59 -2.22 2.07 -0.70 -1.36 116.25 114.90 1sgk h VAL 340 Ca 0.01 -1.91 0.12 0.00 0.82 0.00 0.00 66.70 65.74 1sgk h VAL 340 Cb 0.67 2.21 -0.03 0.00 -1.52 0.00 0.00 31.29 32.62 1sgk h VAL 340 CO 0.05 0.58 0.40 0.00 0.02 0.00 0.00 177.57 178.62 1sgk h ALA 341 N 0.47 2.14 0.10 1.67 0.00 -1.23 -0.35 119.26 122.06 1sgk h ALA 341 Ca -0.05 -0.01 -0.28 0.00 0.00 0.00 0.00 54.91 54.57 1sgk h ALA 341 Cb 1.25 -0.05 -0.01 0.00 0.00 0.00 0.00 17.79 18.98 1sgk h ALA 341 CO 0.12 -0.29 -1.39 1.96 0.00 0.00 0.00 179.25 179.66 1sgk h GLN 342 N 0.30 0.21 -0.15 0.00 1.08 -1.42 -3.35 115.11 111.78 1sgk h GLN 342 Ca 0.28 -0.36 -0.15 0.00 -1.45 0.00 0.00 58.65 56.97 1sgk h GLN 342 Cb 0.69 0.13 -0.01 0.00 -0.05 0.00 0.00 27.48 28.24 1sgk h GLN 342 CO -0.07 1.09 -0.55 0.00 -0.95 0.00 0.00 178.83 178.36 1sgk h ALA 343 N 0.61 0.78 0.16 3.87 0.00 -0.03 -3.35 119.26 121.30 1sgk h ALA 343 Ca -0.18 -0.51 0.01 0.00 0.00 0.00 0.00 54.91 54.23 1sgk h ALA 343 Cb 1.97 -0.08 -0.04 0.00 0.00 0.00 0.00 17.79 19.63 1sgk h ALA 343 CO 0.17 0.69 -0.51 0.82 0.00 0.00 0.00 179.25 180.42 1sgk h ILE 344 N 0.34 0.03 -0.85 0.00 2.04 -1.25 -0.61 117.51 117.21 1sgk h ILE 344 Ca 0.01 0.00 0.11 0.00 1.00 0.00 0.00 64.86 65.97 1sgk h ILE 344 Cb 1.07 0.03 -0.06 0.00 -0.74 0.00 0.00 36.82 37.12 1sgk h ILE 344 CO 0.10 0.00 0.55 -0.65 0.00 0.00 0.00 178.15 178.15 1sgk h PRO 345 N -0.76 0.76 0.00 2.37 0.11 -1.75 1.51 132.00 134.23 1sgk h PRO 345 Ca -0.01 -0.05 -0.10 0.00 0.11 0.00 0.00 66.00 65.96 1sgk h PRO 345 Cb 0.76 -0.17 -0.01 0.00 0.11 0.00 0.00 31.00 31.69 1sgk h PRO 345 CO -0.26 0.50 -0.47 -0.07 -0.21 0.00 0.00 178.00 177.49 1sgk h LEU 346 N 0.78 0.00 -5.20 2.35 3.38 -1.58 -2.91 115.31 112.12 1sgk h LEU 346 Ca 0.40 0.00 -0.29 0.00 0.09 0.00 0.00 57.88 58.08 1sgk h LEU 346 Cb 0.49 0.00 -0.22 0.00 0.09 0.00 0.00 40.66 41.02 1sgk h LEU 346 CO -0.17 0.47 -0.64 0.52 0.09 0.00 0.00 178.44 178.71 1sgk n VAL 347 N -3.64 0.05 -3.67 1.22 0.31 -0.28 -1.47 118.33 110.86 1sgk n VAL 347 Ca -0.01 -2.26 -0.07 0.00 -0.01 0.00 0.00 64.34 62.00 1sgk n VAL 347 Cb 0.55 0.97 -0.00 0.00 -0.91 0.00 0.00 33.84 34.45 1sgk n VAL 347 CO 0.00 0.00 0.00 0.61 -1.32 0.00 0.00 176.83 176.12 1sgk n GLY 348 N 0.11 2.16 2.55 2.92 0.00 0.51 -3.74 105.19 109.70 1sgk n GLY 348 Ca 0.08 -1.36 -0.11 0.00 0.00 0.00 0.00 46.02 44.63 1sgk n GLY 348 CO 0.00 0.00 0.00 -1.84 0.00 0.00 0.00 173.32 171.48 1sgk n GLU 349 N -0.30 1.09 -1.31 1.61 0.00 -1.26 -4.85 120.64 115.62 1sgk n GLU 349 Ca -0.02 -2.76 0.00 0.00 0.00 0.00 0.00 57.16 54.39 1sgk n GLU 349 Cb 0.31 -1.08 0.00 0.00 0.00 0.00 0.00 31.44 30.68 1sgk n GLU 349 CO 0.00 0.00 0.00 1.47 0.00 0.00 0.00 177.13 178.60 1sgk n LEU 350 N -0.01 0.00 -4.51 -1.84 -0.00 -1.26 -4.35 117.00 105.02 1sgk n LEU 350 Ca 0.10 0.00 -0.42 0.00 -0.00 0.00 0.00 56.01 55.69 1sgk n LEU 350 Cb 0.76 0.00 -0.03 0.00 -0.00 0.00 0.00 43.42 44.15 1sgk n LEU 350 CO 0.14 0.00 1.16 0.54 -0.00 0.00 0.00 177.39 179.23 1sgk s VAL 351 N -2.30 4.14 0.13 1.47 0.11 -1.26 -4.87 120.40 117.82 1sgk s VAL 351 Ca 0.00 -0.62 -0.31 0.00 -2.93 0.00 0.00 61.98 58.12 1sgk s VAL 351 Cb 0.00 -4.90 -0.08 0.00 -1.53 0.00 0.00 36.38 29.88 1sgk s VAL 351 CO 0.00 -1.73 1.56 -2.24 -3.33 0.00 0.00 175.10 169.36 1sgk h ASP 352 N 9.59 -1.61 -0.74 3.54 2.03 -1.95 0.22 116.42 127.51 1sgk h ASP 352 Ca -0.01 0.21 0.19 0.00 -0.73 0.00 0.00 57.03 56.70 1sgk h ASP 352 Cb 1.03 0.66 -0.04 0.00 -0.83 0.00 0.00 39.33 40.15 1sgk h ASP 352 CO 1.28 -0.43 0.51 0.16 -1.03 0.00 0.00 179.24 179.73 1sgk h ILE 353 N -0.46 0.69 0.23 4.15 3.07 -1.91 -2.19 117.51 121.07 1sgk h ILE 353 Ca 0.08 -0.05 -0.01 0.00 1.55 0.00 0.00 64.86 66.43 1sgk h ILE 353 Cb 0.63 0.53 0.00 0.00 -0.27 0.00 0.00 36.82 37.71 1sgk h ILE 353 CO -0.50 0.03 -0.11 1.23 -1.05 0.00 0.00 178.15 177.75 1sgk h GLY 354 N 0.15 -0.32 0.88 0.16 0.00 -1.38 -3.20 103.07 99.36 1sgk h GLY 354 Ca 0.36 0.12 -0.02 0.00 0.00 0.00 0.00 47.33 47.79 1sgk h GLY 354 CO -0.05 -0.12 -0.31 -2.75 0.00 0.00 0.00 176.54 173.31 1sgk h PHE 355 N -0.42 -0.81 -0.55 5.60 3.57 -1.27 -2.89 116.94 120.17 1sgk h PHE 355 Ca -0.03 -0.01 0.08 0.00 3.53 0.00 0.00 57.97 61.54 1sgk h PHE 355 Cb 0.23 0.29 -0.10 0.00 2.79 0.00 0.00 35.95 39.16 1sgk h PHE 355 CO 0.10 -0.48 -0.46 0.00 -2.23 0.00 0.00 178.31 175.24 1sgk h ALA 356 N -0.34 -0.41 0.00 2.41 0.00 -1.57 0.22 119.26 119.56 1sgk h ALA 356 Ca -0.06 0.09 -0.03 0.00 0.00 0.00 0.00 54.91 54.91 1sgk h ALA 356 Cb 0.63 0.99 -0.00 0.00 0.00 0.00 0.00 17.79 19.41 1sgk h ALA 356 CO 0.07 -0.87 -0.14 0.00 0.00 0.00 0.00 179.25 178.31 1sgk h ALA 357 N 0.50 1.06 -3.00 0.00 0.00 -1.60 -3.25 119.26 112.96 1sgk h ALA 357 Ca 0.16 -0.12 0.00 0.00 0.00 0.00 0.00 54.91 54.94 1sgk h ALA 357 Cb 0.57 -0.02 0.00 0.00 0.00 0.00 0.00 17.79 18.33 1sgk h ALA 357 CO -0.67 0.17 0.00 0.98 0.00 0.00 0.00 179.25 179.73 1sgk n TYR 358 N -3.34 0.00 0.32 0.00 9.36 -0.67 -4.61 117.16 118.22 1sgk n TYR 358 Ca -0.00 0.00 0.21 0.00 3.32 0.00 0.00 57.90 61.43 1sgk n TYR 358 Cb 0.35 0.00 1.06 0.00 -0.63 0.00 0.00 39.34 40.12 1sgk n TYR 358 CO 0.00 0.00 0.00 -0.91 0.22 0.00 0.00 176.86 176.17 1sgk h ASN 359 N 0.00 0.00 0.09 2.98 4.21 -1.66 -0.88 115.58 120.31 1sgk h ASN 359 Ca 0.00 0.00 -0.26 0.00 1.21 0.00 0.00 56.30 57.25 1sgk h ASN 359 Cb 0.00 0.00 0.03 0.00 -1.12 0.00 0.00 38.32 37.23 1sgk h ASN 359 CO 0.00 0.00 -1.08 0.15 -1.29 0.00 0.00 177.43 175.21 1sgk h PHE 360 N 0.00 0.92 -0.17 1.19 3.57 -0.75 -3.11 116.94 118.59 1sgk h PHE 360 Ca 0.00 -0.56 -0.14 0.00 3.53 0.00 0.00 57.97 60.79 1sgk h PHE 360 Cb 0.11 -0.08 0.00 0.00 2.79 0.00 0.00 35.95 38.77 1sgk h PHE 360 CO 0.00 1.40 -0.45 0.28 -2.23 0.00 0.00 178.31 177.31 1sgk h VAL 361 N 0.17 1.33 -0.62 1.41 2.07 -1.38 -2.18 116.25 117.07 1sgk h VAL 361 Ca -0.16 -1.70 0.07 0.00 0.82 0.00 0.00 66.70 65.73 1sgk h VAL 361 Cb 1.77 1.95 -0.06 0.00 -1.52 0.00 0.00 31.29 33.42 1sgk h VAL 361 CO 0.21 0.52 0.30 -0.33 0.02 0.00 0.00 177.57 178.29 1sgk h GLU 362 N 0.28 0.53 -0.15 1.57 4.39 -1.33 -1.75 114.58 118.13 1sgk h GLU 362 Ca -0.01 -0.03 -0.06 0.00 0.34 0.00 0.00 59.36 59.60 1sgk h GLU 362 Cb 1.07 -0.12 -0.00 0.00 -0.10 0.00 0.00 28.75 29.59 1sgk h GLU 362 CO 0.10 0.35 -0.15 1.03 -1.16 0.00 0.00 179.01 179.18 1sgk h SER 363 N 0.55 0.40 -0.03 1.42 0.87 -1.55 -3.00 113.55 112.20 1sgk h SER 363 Ca 0.29 -0.48 -0.10 0.00 -1.23 0.00 0.00 61.79 60.27 1sgk h SER 363 Cb 0.26 -0.11 -0.01 0.00 -0.44 0.00 0.00 62.40 62.09 1sgk h SER 363 CO -0.22 0.80 -0.29 -0.29 -0.53 0.00 0.00 176.83 176.30 1sgk h ILE 364 N 0.00 1.27 -0.76 2.23 2.10 -1.29 -1.73 117.51 119.34 1sgk h ILE 364 Ca 0.02 -1.33 0.06 0.00 1.08 0.00 0.00 64.86 64.69 1sgk h ILE 364 Cb 0.69 1.40 -0.06 0.00 -1.09 0.00 0.00 36.82 37.76 1sgk h ILE 364 CO 0.04 0.42 0.44 0.40 -1.08 0.00 0.00 178.15 178.37 1sgk h ILE 365 N 0.42 0.99 -0.54 2.19 2.04 -1.35 -0.08 117.51 121.17 1sgk h ILE 365 Ca 0.06 -0.27 0.01 0.00 1.00 0.00 0.00 64.86 65.65 1sgk h ILE 365 Cb 0.72 0.12 -0.03 0.00 -0.74 0.00 0.00 36.82 36.88 1sgk h ILE 365 CO 0.05 0.15 0.35 -1.13 0.00 0.00 0.00 178.15 177.57 1sgk h ASN 366 N 0.80 0.60 0.66 1.72 -1.24 -1.23 -1.99 115.58 114.91 1sgk h ASN 366 Ca 0.34 -0.01 -0.07 0.00 0.71 0.00 0.00 56.30 57.27 1sgk h ASN 366 Cb 0.20 -0.14 -0.01 0.00 0.73 0.00 0.00 38.32 39.10 1sgk h ASN 366 CO -0.19 0.43 -0.34 -0.07 -1.29 0.00 0.00 177.43 175.97 1sgk h LEU 367 N 0.71 0.00 -0.31 0.34 3.38 -0.40 -2.36 115.31 116.67 1sgk h LEU 367 Ca 0.20 0.00 -0.07 0.00 0.09 0.00 0.00 57.88 58.10 1sgk h LEU 367 Cb -0.06 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 40.68 1sgk h LEU 367 CO -0.06 0.34 -0.08 -0.26 0.09 0.00 0.00 178.44 178.47 1sgk h PHE 368 N 0.00 0.69 -0.55 1.13 -1.00 -0.39 -2.48 116.94 114.33 1sgk h PHE 368 Ca -0.00 -0.15 -0.05 0.00 2.81 0.00 0.00 57.97 60.57 1sgk h PHE 368 Cb 0.77 -0.17 -0.03 0.00 3.61 0.00 0.00 35.95 40.14 1sgk h PHE 368 CO 0.00 0.80 0.13 1.96 -1.61 0.00 0.00 178.31 179.59 1sgk h GLN 369 N 0.38 0.85 0.25 1.51 4.20 -1.14 0.42 115.11 121.59 1sgk h GLN 369 Ca 0.08 -0.18 -0.01 0.00 0.06 0.00 0.00 58.65 58.60 1sgk h GLN 369 Cb 0.58 -0.13 0.00 0.00 0.30 0.00 0.00 27.48 28.23 1sgk h GLN 369 CO 0.03 0.77 -0.12 0.28 -0.67 0.00 0.00 178.83 179.12 1sgk h VAL 370 N 0.82 0.79 -0.59 -0.54 2.07 -1.37 -1.72 116.25 115.70 1sgk h VAL 370 Ca 0.18 -0.20 -0.10 0.00 0.82 0.00 0.00 66.70 67.40 1sgk h VAL 370 Cb 0.30 0.91 -0.02 0.00 -1.52 0.00 0.00 31.29 30.96 1sgk h VAL 370 CO -0.00 0.05 -0.01 0.58 0.02 0.00 0.00 177.57 178.20 1sgk h VAL 371 N -0.44 1.26 -0.57 2.57 2.07 -1.23 -2.64 116.25 117.28 1sgk h VAL 371 Ca -0.03 -1.16 -0.06 0.00 0.82 0.00 0.00 66.70 66.27 1sgk h VAL 371 Cb 0.33 0.82 -0.02 0.00 -1.52 0.00 0.00 31.29 30.90 1sgk h VAL 371 CO 0.06 0.42 0.14 0.45 0.02 0.00 0.00 177.57 178.65 1sgk h HIS 372 N 0.95 0.96 -0.52 1.57 -0.00 -0.94 -2.33 115.15 114.84 1sgk h HIS 372 Ca 0.17 -0.12 0.07 0.00 -0.00 0.00 0.00 60.37 60.50 1sgk h HIS 372 Cb 0.57 -0.27 -0.03 0.00 -0.00 0.00 0.00 27.41 27.68 1sgk h HIS 372 CO 0.04 0.82 0.35 -0.97 -0.00 0.00 0.00 177.93 178.17 1sgk h ASN 373 N 0.82 0.35 -0.10 2.45 -0.73 -1.05 0.69 115.58 118.01 1sgk h ASN 373 Ca 0.18 0.00 -0.12 0.00 1.87 0.00 0.00 56.30 58.23 1sgk h ASN 373 Cb 0.35 -0.07 0.00 0.00 0.27 0.00 0.00 38.32 38.87 1sgk h ASN 373 CO 0.00 0.22 -0.40 0.28 -0.37 0.00 0.00 177.43 177.16 1sgk h SER 374 N 0.40 0.52 0.99 1.15 0.02 -1.08 -2.75 113.55 112.79 1sgk h SER 374 Ca 0.23 -0.63 0.00 0.00 -0.84 0.00 0.00 61.79 60.55 1sgk h SER 374 Cb 0.40 -0.15 0.00 0.00 0.14 0.00 0.00 62.40 62.78 1sgk h SER 374 CO -0.06 1.07 0.00 1.88 -1.14 0.00 0.00 176.83 178.58 1sgk h TYR 375 N 0.01 0.00 0.00 3.45 0.05 -0.93 -2.43 116.97 117.11 1sgk h TYR 375 Ca -0.02 0.00 -0.12 0.00 0.05 0.00 0.00 58.73 58.64 1sgk h TYR 375 Cb 1.04 0.00 -0.02 0.00 1.01 0.00 0.00 36.73 38.77 1sgk h TYR 375 CO 0.12 0.00 -0.56 -0.91 -1.05 0.00 0.00 178.16 175.76 1sgk h ASN 376 N 0.00 0.00 -3.94 3.88 2.35 -0.75 -3.46 115.58 113.66 1sgk h ASN 376 Ca 0.00 0.00 -0.47 0.00 -0.55 0.00 0.00 56.30 55.28 1sgk h ASN 376 Cb 0.49 0.00 -0.01 0.00 0.05 0.00 0.00 38.32 38.86 1sgk h ASN 376 CO 0.00 0.56 0.37 -0.13 -1.65 0.00 0.00 177.43 176.58 1sgk s ARG 377 N -3.03 4.40 0.17 0.81 0.52 -0.92 -4.86 118.95 116.05 1sgk s ARG 377 Ca 0.03 1.36 -0.32 0.00 -0.52 0.00 0.00 55.73 56.28 1sgk s ARG 377 Cb 0.08 -2.63 -0.11 0.00 0.52 0.00 0.00 34.95 32.82 1sgk s ARG 377 CO 0.75 0.10 1.77 -2.14 0.02 0.00 0.00 175.30 175.80 1sgk s PRO 378 N -2.36 4.13 0.20 3.54 0.02 -1.26 -4.97 135.00 134.30 1sgk s PRO 378 Ca 0.54 2.60 -0.13 0.00 0.02 0.00 0.00 61.00 64.04 1sgk s PRO 378 Cb -0.18 -3.32 0.00 0.00 0.02 0.00 0.00 34.50 31.02 1sgk s PRO 378 CO 0.23 -0.79 0.42 0.00 -0.33 0.00 0.00 177.00 176.53 1sgk s ALA 379 N 1.90 -0.33 -0.22 -1.55 0.00 -1.26 -4.96 121.76 115.35 1sgk s ALA 379 Ca 0.78 -0.71 -0.08 0.00 0.00 0.00 0.00 51.96 51.94 1sgk s ALA 379 Cb -0.48 0.94 -0.04 0.00 0.00 0.00 0.00 23.12 23.54 1sgk s ALA 379 CO 0.34 -0.76 0.10 0.71 0.00 0.00 0.00 175.76 176.15 1sgk s TYR 380 N -3.96 3.23 0.90 0.00 2.02 -1.26 -5.09 117.35 113.19 1sgk s TYR 380 Ca 0.17 0.01 -0.12 0.00 -0.37 0.00 0.00 57.07 56.76 1sgk s TYR 380 Cb 0.01 -2.18 0.13 0.00 -0.40 0.00 0.00 41.96 39.52 1sgk s TYR 380 CO 0.02 -0.00 1.13 -1.12 -1.57 0.00 0.00 175.55 174.01 1sgk s SER 381 N 0.92 3.57 0.38 2.29 0.01 -1.26 -4.92 113.70 114.69 1sgk s SER 381 Ca 0.05 1.05 -0.27 0.00 1.31 0.00 0.00 55.95 58.09 1sgk s SER 381 Cb -0.14 -1.66 -0.11 0.00 0.21 0.00 0.00 66.02 64.32 1sgk s SER 381 CO 0.03 -2.52 1.40 -2.65 0.41 0.00 0.00 173.24 169.91 1sgk n PRO 382 N -3.76 2.38 -0.80 12.44 -0.02 -1.26 -2.46 135.00 141.53 1sgk n PRO 382 Ca 0.06 0.84 0.00 0.00 -2.02 0.00 0.00 63.50 62.38 1sgk n PRO 382 Cb 0.58 -2.54 0.00 0.00 -0.02 0.00 0.00 33.50 31.53 1sgk n PRO 382 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 1sgk n GLY 383 N 0.60 0.87 3.60 -1.23 0.00 -0.94 -4.82 105.19 103.26 1sgk n GLY 383 Ca 0.03 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.71 1sgk n GLY 383 CO 0.00 0.00 0.00 0.30 0.00 0.00 0.00 173.32 173.62 1sgk s HIS 384 N -3.43 3.03 0.00 1.61 3.76 -1.03 0.21 115.29 119.45 1sgk s HIS 384 Ca 0.00 0.01 0.00 0.00 -0.15 0.00 0.00 55.06 54.92 1sgk s HIS 384 Cb 0.00 -1.79 0.00 0.00 1.11 0.00 0.00 32.58 31.90 1sgk s HIS 384 CO 0.00 0.29 0.00 1.63 -0.85 0.00 0.00 174.74 175.81 1sgk n LYS 385 N 2.49 0.00 -0.29 1.40 4.76 -1.26 -0.64 118.16 124.62 1sgk n LYS 385 Ca -0.18 0.00 0.08 0.00 -2.87 0.00 0.00 58.31 55.34 1sgk n LYS 385 Cb 0.53 0.00 0.23 0.00 -1.84 0.00 0.00 35.03 33.95 1sgk n LYS 385 CO 0.00 0.00 0.00 0.25 -1.37 0.00 0.00 177.40 176.28 1sgk n THR 386 N 0.00 0.80 -2.25 -0.18 -2.24 -1.26 -3.89 114.28 105.25 1sgk n THR 386 Ca 0.00 -0.72 -0.42 0.00 -2.27 0.00 0.00 64.05 60.64 1sgk n THR 386 Cb 0.00 0.29 -0.03 0.00 -2.10 0.00 0.00 70.33 68.49 1sgk n THR 386 CO 0.00 0.00 0.00 -1.10 -0.57 0.00 0.00 175.07 173.40 1sgk s GLN 387 N -1.38 4.37 0.52 -0.78 -1.52 0.19 -4.73 119.66 116.33 1sgk s GLN 387 Ca 0.35 1.99 -0.17 0.00 -1.95 0.00 0.00 55.36 55.58 1sgk s GLN 387 Cb 0.19 -3.26 -0.07 0.00 -0.22 0.00 0.00 33.01 29.65 1sgk s GLN 387 CO 0.23 -0.33 1.00 -1.25 -0.25 0.00 0.00 175.29 174.68 1sgk s PRO 388 N 0.73 3.86 -0.34 2.91 0.04 -1.26 -2.22 135.00 138.71 1sgk s PRO 388 Ca 0.61 1.04 -0.09 0.00 0.04 0.00 0.00 61.00 62.60 1sgk s PRO 388 Cb -0.35 -2.12 0.02 0.00 0.04 0.00 0.00 34.50 32.09 1sgk s PRO 388 CO 0.32 -0.35 0.16 0.12 0.04 0.00 0.00 177.00 177.29 1sgk s PHE 389 N -2.51 3.22 -0.37 0.56 2.19 0.55 -3.79 117.98 117.83 1sgk s PHE 389 Ca 0.61 -0.98 -0.12 0.00 0.33 0.00 0.00 56.93 56.77 1sgk s PHE 389 Cb -0.11 -2.36 0.02 0.00 -1.31 0.00 0.00 43.02 39.25 1sgk s PHE 389 CO 0.30 -0.61 0.22 -0.51 1.83 0.00 0.00 175.22 176.44 1sgk s LEU 390 N 1.53 4.71 -0.27 6.12 1.43 -1.26 -2.15 118.68 128.78 1sgk s LEU 390 Ca 0.02 -0.87 -0.22 0.00 -1.03 0.00 0.00 54.13 52.03 1sgk s LEU 390 Cb -0.18 -2.06 0.08 0.00 0.03 0.00 0.00 46.19 44.06 1sgk s LEU 390 CO 0.05 -0.36 0.75 -2.28 0.23 0.00 0.00 176.35 174.74 1sgk s HIS 391 N 1.60 -0.82 -1.70 0.29 2.46 -0.93 -4.93 115.29 111.25 1sgk s HIS 391 Ca 0.03 1.88 0.00 0.00 0.47 0.00 0.00 55.06 57.45 1sgk s HIS 391 Cb -0.19 0.38 0.00 0.00 -0.13 0.00 0.00 32.58 32.64 1sgk s HIS 391 CO 0.08 -0.40 0.00 -0.25 -2.47 0.00 0.00 174.74 171.69 1sgk n ASP 392 N 3.10 -4.98 0.00 9.88 8.00 -1.26 -1.09 116.55 130.20 1sgk n ASP 392 Ca -0.16 0.24 0.00 0.00 0.71 0.00 0.00 54.79 55.58 1sgk n ASP 392 Cb 0.56 -4.31 0.00 0.00 -0.02 0.00 0.00 41.12 37.36 1sgk n ASP 392 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 1sgk n GLY 393 N -0.66 0.69 3.96 0.44 0.00 -1.26 -5.02 105.19 103.34 1sgk n GLY 393 Ca -0.20 0.00 -0.22 0.00 0.00 0.00 0.00 46.02 45.60 1sgk n GLY 393 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 1sgk s TYR 394 N -2.23 3.04 -0.16 1.61 2.02 -0.25 -0.12 117.35 121.27 1sgk s TYR 394 Ca 0.00 0.12 -0.04 0.00 -0.37 0.00 0.00 57.07 56.78 1sgk s TYR 394 Cb 0.00 -2.55 0.08 0.00 -0.40 0.00 0.00 41.96 39.09 1sgk s TYR 394 CO 0.00 -0.63 0.23 0.00 -1.57 0.00 0.00 175.55 173.58 1sgk s ALA 395 N -2.67 -0.38 0.06 3.71 0.00 0.40 -2.19 121.76 120.68 1sgk s ALA 395 Ca 0.53 0.57 0.05 0.00 0.00 0.00 0.00 51.96 53.11 1sgk s ALA 395 Cb -0.10 -1.14 -0.03 0.00 0.00 0.00 0.00 23.12 21.86 1sgk s ALA 395 CO 0.38 -0.89 -0.15 0.14 0.00 0.00 0.00 175.76 175.24 1sgk s VAL 396 N 2.36 1.16 0.13 0.00 -7.23 -0.91 -1.64 120.40 114.27 1sgk s VAL 396 Ca 0.04 -1.20 -0.24 0.00 -1.81 0.00 0.00 61.98 58.77 1sgk s VAL 396 Cb -0.14 -1.08 0.07 0.00 0.56 0.00 0.00 36.38 35.79 1sgk s VAL 396 CO -0.10 -0.12 0.67 -0.94 -0.31 0.00 0.00 175.10 174.30 1sgk s SER 397 N -1.51 -0.51 0.18 4.85 1.04 -0.70 -0.33 113.70 116.72 1sgk s SER 397 Ca 0.00 -0.03 -0.30 0.00 0.48 0.00 0.00 55.95 56.10 1sgk s SER 397 Cb -0.09 0.56 -0.08 0.00 0.10 0.00 0.00 66.02 66.51 1sgk s SER 397 CO 0.02 -0.92 1.09 0.26 0.98 0.00 0.00 173.24 174.68 1sgk s TRP 398 N -3.63 3.60 0.25 5.02 0.52 -1.25 -0.14 118.94 123.32 1sgk s TRP 398 Ca 0.02 1.61 -0.03 0.00 0.02 0.00 0.00 56.10 57.72 1sgk s TRP 398 Cb -0.01 -3.27 0.41 0.00 -1.15 0.00 0.00 33.47 29.46 1sgk s TRP 398 CO -0.11 -0.57 1.83 -0.97 0.02 0.00 0.00 176.95 177.15 1sgk h ASN 399 N 5.05 0.79 -5.56 2.95 -1.24 -1.29 -3.42 115.58 112.87 1sgk h ASN 399 Ca -0.44 0.04 -0.23 0.00 0.71 0.00 0.00 56.30 56.37 1sgk h ASN 399 Cb 1.21 -0.12 -0.15 0.00 0.73 0.00 0.00 38.32 39.99 1sgk h ASN 399 CO 0.72 0.46 -0.62 0.42 -1.29 0.00 0.00 177.43 177.13 1sgk s THR 400 N -6.02 0.02 0.21 -3.57 -4.23 -1.26 -5.01 115.64 95.78 1sgk s THR 400 Ca -0.12 -1.98 -0.06 0.00 -1.18 0.00 0.00 61.69 58.35 1sgk s THR 400 Cb 0.20 -2.43 0.08 0.00 1.34 0.00 0.00 72.50 71.69 1sgk s THR 400 CO 0.79 -0.07 1.68 0.58 -0.54 0.00 0.00 174.62 177.06 1sgk h VAL 401 N 2.65 1.26 -0.43 2.29 2.07 -1.88 -2.80 116.25 119.42 1sgk h VAL 401 Ca -0.36 -1.12 -0.00 0.00 0.82 0.00 0.00 66.70 66.04 1sgk h VAL 401 Cb 1.24 0.85 -0.02 0.00 -1.52 0.00 0.00 31.29 31.84 1sgk h VAL 401 CO 0.54 0.40 0.26 -0.08 0.02 0.00 0.00 177.57 178.70 1sgk h GLU 402 N 0.88 0.57 -0.31 1.57 4.57 -1.96 -1.80 114.58 118.10 1sgk h GLU 402 Ca 0.16 -0.04 0.00 0.00 -1.18 0.00 0.00 59.36 58.30 1sgk h GLU 402 Cb 0.54 -0.12 -0.02 0.00 -0.16 0.00 0.00 28.75 28.99 1sgk h GLU 402 CO 0.03 0.40 0.20 -0.44 -1.18 0.00 0.00 179.01 178.02 1sgk h ASP 403 N 0.58 0.36 0.57 1.04 3.32 -1.83 -2.16 116.42 118.31 1sgk h ASP 403 Ca 0.15 -0.01 0.00 0.00 0.02 0.00 0.00 57.03 57.19 1sgk h ASP 403 Cb -0.02 -0.09 0.00 0.00 0.22 0.00 0.00 39.33 39.44 1sgk h ASP 403 CO -0.03 0.27 0.00 -1.54 -1.72 0.00 0.00 179.24 176.22 1sgk n SER 404 N -4.49 0.00 -4.66 6.45 3.41 -0.68 -4.71 113.62 108.95 1sgk n SER 404 Ca 0.02 0.14 -0.36 0.00 -0.26 0.00 0.00 58.87 58.41 1sgk n SER 404 Cb 0.07 -0.36 -0.09 0.00 -0.26 0.00 0.00 64.21 63.57 1sgk n SER 404 CO 0.00 0.00 0.00 -0.63 -0.16 0.00 0.00 175.04 174.25 1sgk s ILE 405 N -2.72 5.19 -0.45 -1.33 1.01 -0.81 -2.00 121.20 120.08 1sgk s ILE 405 Ca 0.19 0.12 -0.13 0.00 0.00 0.00 0.00 60.65 60.83 1sgk s ILE 405 Cb 0.16 -3.39 0.08 0.00 0.01 0.00 0.00 42.46 39.32 1sgk s ILE 405 CO 0.39 0.39 0.34 -0.63 0.00 0.00 0.00 174.94 175.43 1sgk s ILE 406 N 0.77 4.77 0.30 2.92 1.01 0.45 -4.94 121.20 126.48 1sgk s ILE 406 Ca 0.07 -1.26 -0.26 0.00 0.00 0.00 0.00 60.65 59.20 1sgk s ILE 406 Cb -0.13 -3.90 -0.10 0.00 0.01 0.00 0.00 42.46 38.35 1sgk s ILE 406 CO 0.02 -0.57 0.91 -0.13 0.00 0.00 0.00 174.94 175.17 1sgk s ARG 407 N 1.54 4.57 0.33 2.79 0.52 -1.26 -1.14 118.95 126.30 1sgk s ARG 407 Ca 0.04 1.28 0.03 0.00 -0.52 0.00 0.00 55.73 56.56 1sgk s ARG 407 Cb -0.24 -2.87 -0.05 0.00 0.52 0.00 0.00 34.95 32.31 1sgk s ARG 407 CO 0.04 0.33 0.08 -0.08 0.02 0.00 0.00 175.30 175.69 1sgk s THR 408 N -1.55 0.96 0.00 0.02 -1.32 0.21 -4.85 115.64 109.12 1sgk s THR 408 Ca 0.48 -2.00 0.00 0.00 -1.21 0.00 0.00 61.69 58.96 1sgk s THR 408 Cb -0.19 -2.67 0.00 0.00 -1.51 0.00 0.00 72.50 68.12 1sgk s THR 408 CO 0.24 0.00 0.00 0.61 -2.21 0.00 0.00 174.62 173.26 1sgk n GLY 409 N -0.70 1.32 3.49 6.08 0.00 -1.26 -4.60 105.19 109.54 1sgk n GLY 409 Ca -0.03 -0.26 -0.11 0.00 0.00 0.00 0.00 46.02 45.63 1sgk n GLY 409 CO 0.00 0.00 0.00 -0.11 0.00 0.00 0.00 173.32 173.21 1sgk s PHE 410 N -2.00 -0.37 -0.23 1.61 -0.12 -1.21 -4.78 117.98 110.88 1sgk s PHE 410 Ca 0.00 0.08 -0.10 0.00 -0.05 0.00 0.00 56.93 56.86 1sgk s PHE 410 Cb 0.00 0.51 -0.05 0.00 -0.63 0.00 0.00 43.02 42.86 1sgk s PHE 410 CO 0.00 -0.90 0.14 -0.65 -0.05 0.00 0.00 175.22 173.76 1sgk s GLN 411 N -3.81 4.05 0.00 1.99 -0.21 -1.26 -4.25 119.66 116.18 1sgk s GLN 411 Ca 0.04 -0.28 0.00 0.00 0.02 0.00 0.00 55.36 55.14 1sgk s GLN 411 Cb -0.01 -3.49 0.00 0.00 1.00 0.00 0.00 33.01 30.51 1sgk s GLN 411 CO -0.08 0.09 0.00 0.41 -2.12 0.00 0.00 175.29 173.59 1sgk n GLY 412 N 4.18 -0.37 3.50 3.09 0.00 0.17 -4.97 105.19 110.80 1sgk n GLY 412 Ca -0.15 -1.14 -0.24 0.00 0.00 0.00 0.00 46.02 44.48 1sgk n GLY 412 CO 0.00 0.00 0.00 -1.83 0.00 0.00 0.00 173.32 171.49 1sgk s GLU 413 N -2.00 1.80 0.11 1.61 -1.05 -1.26 0.90 118.70 118.80 1sgk s GLU 413 Ca 0.00 -2.05 -0.20 0.00 -0.15 0.00 0.00 54.97 52.57 1sgk s GLU 413 Cb 0.00 -0.87 0.05 0.00 -0.44 0.00 0.00 34.13 32.87 1sgk s GLU 413 CO 0.00 -0.29 0.48 -1.54 0.95 0.00 0.00 175.26 174.86 1sgk s SER 414 N -3.57 -0.38 0.06 0.83 1.04 -0.49 -4.98 113.70 106.22 1sgk s SER 414 Ca 0.30 -0.09 0.06 0.00 0.48 0.00 0.00 55.95 56.70 1sgk s SER 414 Cb 0.06 0.51 -0.03 0.00 0.10 0.00 0.00 66.02 66.66 1sgk s SER 414 CO 0.14 -0.84 -0.18 -0.83 0.98 0.00 0.00 173.24 172.52 1sgk s GLY 415 N -2.52 1.00 -0.04 7.32 0.00 -1.26 -1.28 107.32 110.53 1sgk s GLY 415 Ca -0.00 -1.03 -0.02 0.00 0.00 0.00 0.00 44.72 43.67 1sgk s GLY 415 CO -0.09 -1.01 0.07 0.30 0.00 0.00 0.00 173.10 172.38 1sgk s HIS 416 N -1.00 0.01 -0.15 1.90 3.76 0.82 -4.87 115.29 115.77 1sgk s HIS 416 Ca 0.04 0.30 -0.11 0.00 -0.15 0.00 0.00 55.06 55.14 1sgk s HIS 416 Cb -0.09 -0.39 -0.05 0.00 1.11 0.00 0.00 32.58 33.16 1sgk s HIS 416 CO 0.02 -0.19 0.21 -0.51 -0.85 0.00 0.00 174.74 173.42 1sgk s ASP 417 N 1.97 6.38 -0.15 1.40 1.01 -1.26 -0.84 116.67 125.19 1sgk s ASP 417 Ca 0.02 0.44 0.00 0.00 0.71 0.00 0.00 52.55 53.72 1sgk s ASP 417 Cb -0.12 -2.13 0.02 0.00 1.01 0.00 0.00 42.92 41.70 1sgk s ASP 417 CO -0.04 0.23 -0.14 -0.63 0.21 0.00 0.00 175.17 174.80 1sgk s ILE 418 N -0.12 1.57 -0.00 0.77 1.01 -0.11 -0.76 121.20 123.56 1sgk s ILE 418 Ca 0.14 -0.63 -0.27 0.00 0.00 0.00 0.00 60.65 59.89 1sgk s ILE 418 Cb -0.12 -1.48 -0.04 0.00 0.01 0.00 0.00 42.46 40.83 1sgk s ILE 418 CO 0.03 0.46 0.83 -0.54 0.00 0.00 0.00 174.94 175.72 1sgk s LYS 419 N 1.48 4.52 -0.02 2.79 1.02 0.80 -0.75 119.74 129.58 1sgk s LYS 419 Ca 0.05 1.15 0.03 0.00 0.02 0.00 0.00 55.97 57.22 1sgk s LYS 419 Cb -0.13 -3.43 -0.00 0.00 -0.52 0.00 0.00 37.83 33.75 1sgk s LYS 419 CO -0.11 0.09 -0.09 0.42 -0.92 0.00 0.00 175.35 174.74 1sgk s ILE 420 N 0.60 0.78 0.22 2.17 1.01 -0.39 -1.73 121.20 123.86 1sgk s ILE 420 Ca 0.43 -0.39 -0.22 0.00 0.00 0.00 0.00 60.65 60.47 1sgk s ILE 420 Cb -0.20 -0.67 0.06 0.00 0.01 0.00 0.00 42.46 41.66 1sgk s ILE 420 CO 0.24 0.23 0.91 0.28 0.00 0.00 0.00 174.94 176.60 1sgk s THR 421 N -0.04 0.00 0.17 2.92 -1.32 -0.65 -0.99 115.64 115.73 1sgk s THR 421 Ca 0.01 -0.76 0.04 0.00 -1.21 0.00 0.00 61.69 59.77 1sgk s THR 421 Cb -0.06 -2.32 -0.05 0.00 -1.51 0.00 0.00 72.50 68.56 1sgk s THR 421 CO -0.00 0.00 -0.06 0.00 -2.21 0.00 0.00 174.62 172.35 1sgk s ALA 422 N -3.00 1.50 0.29 11.08 0.00 -1.26 -0.46 121.76 129.90 1sgk s ALA 422 Ca 0.15 -1.56 0.05 0.00 0.00 0.00 0.00 51.96 50.59 1sgk s ALA 422 Cb -0.03 0.23 0.43 0.00 0.00 0.00 0.00 23.12 23.75 1sgk s ALA 422 CO 0.05 -0.17 1.70 1.05 0.00 0.00 0.00 175.76 178.39 1sgk h GLU 423 N 2.70 0.34 0.00 0.00 4.11 -0.85 -3.20 114.58 117.69 1sgk h GLU 423 Ca -0.37 -0.15 0.00 0.00 0.07 0.00 0.00 59.36 58.91 1sgk h GLU 423 Cb 1.20 -0.01 0.00 0.00 0.50 0.00 0.00 28.75 30.44 1sgk h GLU 423 CO 0.64 0.66 0.00 -1.71 0.07 0.00 0.00 179.01 178.66 1sgk n ASN 424 N -4.06 0.00 -4.66 3.06 2.85 -1.26 -4.36 115.26 106.83 1sgk n ASN 424 Ca -0.01 0.00 -0.30 0.00 -0.11 0.00 0.00 54.58 54.16 1sgk n ASN 424 Cb 0.46 0.00 0.17 0.00 1.24 0.00 0.00 39.78 41.64 1sgk n ASN 424 CO 0.00 0.00 0.00 0.42 -2.11 0.00 0.00 177.26 175.57 1sgk s THR 425 N 0.75 2.37 -0.29 -0.44 -4.23 -1.26 -1.21 115.64 111.34 1sgk s THR 425 Ca 0.00 0.12 -0.29 0.00 -1.18 0.00 0.00 61.69 60.35 1sgk s THR 425 Cb 0.00 -2.32 -0.02 0.00 1.34 0.00 0.00 72.50 71.50 1sgk s THR 425 CO 0.00 -0.16 1.77 -2.84 -0.54 0.00 0.00 174.62 172.85 1sgk s PRO 426 N -4.71 3.47 -0.10 3.99 0.02 -1.26 -4.48 135.00 131.93 1sgk s PRO 426 Ca 0.66 1.54 -0.00 0.00 0.02 0.00 0.00 61.00 63.21 1sgk s PRO 426 Cb -0.21 -4.16 -0.03 0.00 0.02 0.00 0.00 34.50 30.12 1sgk s PRO 426 CO 0.59 -1.69 -0.08 -0.51 -0.33 0.00 0.00 177.00 174.98 1sgk s LEU 427 N 6.42 3.08 0.60 -5.54 1.43 0.07 -4.86 118.68 119.90 1sgk s LEU 427 Ca 0.79 -0.11 -0.12 0.00 -1.03 0.00 0.00 54.13 53.66 1sgk s LEU 427 Cb -0.24 -1.69 -0.05 0.00 0.03 0.00 0.00 46.19 44.25 1sgk s LEU 427 CO 0.33 0.29 1.02 -2.16 0.23 0.00 0.00 176.35 176.06 1sgk s PRO 428 N -0.35 3.65 -0.21 1.29 0.04 -1.26 -0.16 135.00 138.00 1sgk s PRO 428 Ca 0.05 0.78 0.02 0.00 0.04 0.00 0.00 61.00 61.88 1sgk s PRO 428 Cb -0.12 -2.09 0.04 0.00 0.04 0.00 0.00 34.50 32.37 1sgk s PRO 428 CO 0.02 -0.52 -0.13 0.42 0.04 0.00 0.00 177.00 176.82 1sgk s ILE 429 N -3.10 1.94 0.13 0.56 -1.09 -0.63 -3.16 121.20 115.86 1sgk s ILE 429 Ca 0.56 -1.20 0.01 0.00 -2.23 0.00 0.00 60.65 57.79 1sgk s ILE 429 Cb -0.11 -1.95 -0.20 0.00 -1.58 0.00 0.00 42.46 38.63 1sgk s ILE 429 CO 0.51 0.21 1.30 0.00 -1.23 0.00 0.00 174.94 175.73 1sgk h ALA 430 N 7.90 0.37 0.00 9.38 0.00 -0.29 -3.40 119.26 133.22 1sgk h ALA 430 Ca -0.30 -0.80 0.00 0.00 0.00 0.00 0.00 54.91 53.81 1sgk h ALA 430 Cb 1.09 -0.07 0.00 0.00 0.00 0.00 0.00 17.79 18.82 1sgk h ALA 430 CO 0.52 0.98 0.00 0.41 0.00 0.00 0.00 179.25 181.16 1sgk n GLY 431 N 1.13 -0.68 3.27 0.00 0.00 -1.23 -4.26 105.19 103.42 1sgk n GLY 431 Ca -0.04 -0.87 -0.13 0.00 0.00 0.00 0.00 46.02 44.98 1sgk n GLY 431 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1sgk s VAL 432 N -3.00 0.01 -0.28 1.61 0.11 -0.67 -1.19 120.40 116.99 1sgk s VAL 432 Ca 0.00 -0.06 -0.11 0.00 -2.93 0.00 0.00 61.98 58.89 1sgk s VAL 432 Cb 0.00 -0.55 -0.05 0.00 -1.53 0.00 0.00 36.38 34.25 1sgk s VAL 432 CO 0.00 -0.03 0.19 -0.76 -3.33 0.00 0.00 175.10 171.16 1sgk s LEU 433 N 0.00 4.01 0.02 2.54 1.43 0.16 -1.52 118.68 125.32 1sgk s LEU 433 Ca -0.02 -0.04 0.05 0.00 -1.03 0.00 0.00 54.13 53.10 1sgk s LEU 433 Cb -0.03 -2.11 -0.03 0.00 0.03 0.00 0.00 46.19 44.05 1sgk s LEU 433 CO 0.01 -0.06 -0.12 -0.76 0.23 0.00 0.00 176.35 175.66 1sgk s LEU 434 N 1.75 2.92 0.49 1.79 1.43 -0.73 -1.93 118.68 124.41 1sgk s LEU 434 Ca 0.07 -0.27 -0.18 0.00 -1.03 0.00 0.00 54.13 52.72 1sgk s LEU 434 Cb -0.16 -1.69 -0.08 0.00 0.03 0.00 0.00 46.19 44.28 1sgk s LEU 434 CO 0.11 0.27 0.99 -2.16 0.23 0.00 0.00 176.35 175.78 1sgk s PRO 435 N -1.44 3.95 0.03 1.29 0.04 -1.26 -1.58 135.00 136.04 1sgk s PRO 435 Ca 0.16 1.08 -0.14 0.00 0.04 0.00 0.00 61.00 62.14 1sgk s PRO 435 Cb -0.11 -2.13 0.02 0.00 0.04 0.00 0.00 34.50 32.32 1sgk s PRO 435 CO 0.07 -0.27 0.30 0.95 0.04 0.00 0.00 177.00 178.09 1sgk s THR 436 N -2.40 0.08 -0.15 1.26 -4.23 -0.96 -4.83 115.64 104.41 1sgk s THR 436 Ca 0.61 -0.66 -0.05 0.00 -1.18 0.00 0.00 61.69 60.42 1sgk s THR 436 Cb -0.11 -0.89 0.08 0.00 1.34 0.00 0.00 72.50 72.92 1sgk s THR 436 CO 0.25 -0.36 0.28 -0.63 -0.54 0.00 0.00 174.62 173.61 1sgk s ILE 437 N -2.36 -0.44 -0.14 2.99 1.01 0.25 -4.76 121.20 117.76 1sgk s ILE 437 Ca -0.06 0.19 -0.38 0.00 0.00 0.00 0.00 60.65 60.40 1sgk s ILE 437 Cb -0.02 -0.52 -0.15 0.00 0.01 0.00 0.00 42.46 41.78 1sgk s ILE 437 CO -0.02 0.05 1.64 -2.65 0.00 0.00 0.00 174.94 173.96 1sgk n PRO 438 N 5.35 1.30 0.00 2.79 -0.02 -1.26 0.50 135.00 143.66 1sgk n PRO 438 Ca -0.06 0.47 0.00 0.00 -2.02 0.00 0.00 63.50 61.89 1sgk n PRO 438 Cb 0.50 -2.16 0.00 0.00 -0.02 0.00 0.00 33.50 31.81 1sgk n PRO 438 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 1sgk n GLY 439 N 3.72 1.59 0.11 -1.23 0.00 -1.26 -4.58 105.19 103.54 1sgk n GLY 439 Ca 0.23 -0.06 -0.01 0.00 0.00 0.00 0.00 46.02 46.18 1sgk n GLY 439 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 1sgk h LYS 440 N 0.00 0.00 -1.52 1.61 1.57 -1.74 -0.32 116.57 116.17 1sgk h LYS 440 Ca 0.00 0.00 -0.29 0.00 -1.87 0.00 0.00 60.65 58.49 1sgk h LYS 440 Cb 0.00 0.00 -0.25 0.00 0.08 0.00 0.00 32.23 32.06 1sgk h LYS 440 CO 0.00 0.71 -0.64 -1.17 -0.57 0.00 0.00 179.45 177.77 1sgk s LEU 441 N -6.57 -0.49 0.07 2.94 2.96 0.18 -4.65 118.68 113.12 1sgk s LEU 441 Ca 0.03 -1.90 0.03 0.00 -0.22 0.00 0.00 54.13 52.06 1sgk s LEU 441 Cb 0.09 1.07 -0.04 0.00 0.50 0.00 0.00 46.19 47.81 1sgk s LEU 441 CO 0.78 -0.14 0.07 -1.81 -1.32 0.00 0.00 176.35 173.92 1sgk s ASP 442 N 0.92 5.47 -0.15 3.68 1.01 -0.29 -0.58 116.67 126.72 1sgk s ASP 442 Ca 0.26 -0.01 -0.18 0.00 0.71 0.00 0.00 52.55 53.33 1sgk s ASP 442 Cb -0.03 -1.46 -0.04 0.00 1.01 0.00 0.00 42.92 42.40 1sgk s ASP 442 CO -0.08 0.19 0.50 -0.69 0.21 0.00 0.00 175.17 175.30 1sgk s VAL 443 N -1.34 5.15 -0.95 -1.27 1.01 -1.26 0.09 120.40 121.83 1sgk s VAL 443 Ca 0.28 0.96 -0.18 0.00 0.00 0.00 0.00 61.98 63.03 1sgk s VAL 443 Cb -0.12 -3.83 0.14 0.00 0.00 0.00 0.00 36.38 32.57 1sgk s VAL 443 CO 0.20 0.26 1.13 0.21 0.00 0.00 0.00 175.10 176.89 1sgk s ASN 444 N 0.86 6.68 0.45 3.32 3.84 -0.32 -4.85 114.94 124.92 1sgk s ASN 444 Ca 0.25 -2.17 0.23 0.00 0.21 0.00 0.00 52.86 51.38 1sgk s ASN 444 Cb -0.15 -2.39 1.25 0.00 -0.55 0.00 0.00 41.25 39.41 1sgk s ASN 444 CO 0.10 -1.00 1.66 0.50 -2.79 0.00 0.00 177.10 175.57 1sgk h LYS 445 N 8.62 0.00 0.05 0.43 3.64 -1.91 -1.58 116.57 125.82 1sgk h LYS 445 Ca 0.17 0.00 -0.24 0.00 -1.27 0.00 0.00 60.65 59.31 1sgk h LYS 445 Cb 1.01 0.00 -0.00 0.00 -0.41 0.00 0.00 32.23 32.83 1sgk h LYS 445 CO 1.09 0.00 -1.04 0.77 -2.27 0.00 0.00 179.45 178.00 1sgk h SER 446 N 0.00 0.42 -0.05 4.20 0.02 -1.92 -3.33 113.55 112.89 1sgk h SER 446 Ca 0.00 -0.38 0.00 0.00 -0.84 0.00 0.00 61.79 60.57 1sgk h SER 446 Cb 0.43 -0.13 0.00 0.00 0.14 0.00 0.00 62.40 62.83 1sgk h SER 446 CO 0.00 1.22 0.00 0.29 -1.14 0.00 0.00 176.83 177.20 1sgk n LYS 447 N -3.64 1.77 -3.35 3.45 5.02 -0.63 -4.91 118.16 115.87 1sgk n LYS 447 Ca -0.07 -1.71 -0.38 0.00 -2.02 0.00 0.00 58.31 54.14 1sgk n LYS 447 Cb 0.90 -1.38 -0.07 0.00 -0.02 0.00 0.00 35.03 34.47 1sgk n LYS 447 CO 0.00 0.00 0.00 0.99 -0.52 0.00 0.00 177.40 177.87 1sgk s THR 448 N -1.60 5.20 0.33 -0.18 2.01 -0.97 -4.40 115.64 116.02 1sgk s THR 448 Ca 0.24 0.84 -0.16 0.00 0.31 0.00 0.00 61.69 62.92 1sgk s THR 448 Cb 0.17 -3.77 0.06 0.00 0.01 0.00 0.00 72.50 68.96 1sgk s THR 448 CO 0.25 0.30 0.84 0.00 -0.69 0.00 0.00 174.62 175.32 1sgk n HIS 449 N 3.95 -2.05 -3.83 4.92 1.44 -0.32 -3.98 115.22 115.35 1sgk n HIS 449 Ca -0.08 -1.65 -0.21 0.00 -2.01 0.00 0.00 57.72 53.77 1sgk n HIS 449 Cb 0.51 0.82 -0.17 0.00 0.12 0.00 0.00 29.99 31.27 1sgk n HIS 449 CO 0.00 0.00 0.00 -1.50 -2.81 0.00 0.00 176.34 172.03 1sgk s ILE 450 N -2.11 0.30 -0.28 0.61 2.07 -0.19 -0.40 121.20 121.20 1sgk s ILE 450 Ca 0.17 0.13 -0.11 0.00 -1.41 0.00 0.00 60.65 59.44 1sgk s ILE 450 Cb -0.04 -0.44 -0.05 0.00 0.13 0.00 0.00 42.46 42.06 1sgk s ILE 450 CO 0.10 0.23 0.18 -0.55 -1.91 0.00 0.00 174.94 172.98 1sgk s SER 451 N 1.71 5.92 -0.35 4.50 0.15 -0.37 -0.13 113.70 125.13 1sgk s SER 451 Ca 0.00 -0.06 -0.07 0.00 0.70 0.00 0.00 55.95 56.52 1sgk s SER 451 Cb -0.13 -2.10 0.04 0.00 -1.71 0.00 0.00 66.02 62.13 1sgk s SER 451 CO -0.04 -0.06 0.12 -0.69 1.20 0.00 0.00 173.24 173.78 1sgk s VAL 452 N 1.74 3.85 -1.32 4.45 1.01 -0.04 -0.81 120.40 129.29 1sgk s VAL 452 Ca 0.07 -1.15 -0.06 0.00 0.00 0.00 0.00 61.98 60.84 1sgk s VAL 452 Cb -0.16 -3.20 0.04 0.00 0.00 0.00 0.00 36.38 33.05 1sgk s VAL 452 CO 0.10 -0.21 0.38 0.59 0.00 0.00 0.00 175.10 175.96 1sgk n ASN 453 N 4.83 -4.45 0.00 3.32 4.13 0.52 -0.41 115.26 123.20 1sgk n ASN 453 Ca -0.12 -0.21 0.00 0.00 1.68 0.00 0.00 54.58 55.93 1sgk n ASN 453 Cb 0.45 -3.68 0.00 0.00 -1.54 0.00 0.00 39.78 35.01 1sgk n ASN 453 CO 0.00 0.00 0.00 0.61 0.28 0.00 0.00 177.26 178.15 1sgk n GLY 454 N -1.17 2.13 3.58 7.41 0.00 -1.26 -5.02 105.19 110.87 1sgk n GLY 454 Ca -0.08 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.52 1sgk n GLY 454 CO 0.00 0.00 0.00 -1.60 0.00 0.00 0.00 173.32 171.72 1sgk s ARG 455 N -0.79 3.35 -0.62 1.61 3.52 0.46 -4.97 118.95 121.50 1sgk s ARG 455 Ca 0.00 0.42 -0.28 0.00 -0.13 0.00 0.00 55.73 55.75 1sgk s ARG 455 Cb 0.00 -4.10 0.03 0.00 -1.56 0.00 0.00 34.95 29.32 1sgk s ARG 455 CO 0.00 -1.88 1.28 0.21 -0.81 0.00 0.00 175.30 174.10 1sgk s LYS 456 N 5.38 3.36 -0.18 5.12 2.20 -1.26 -0.86 119.74 133.49 1sgk s LYS 456 Ca 0.51 0.16 -0.15 0.00 -0.36 0.00 0.00 55.97 56.12 1sgk s LYS 456 Cb -0.10 -4.09 -0.04 0.00 -1.51 0.00 0.00 37.83 32.08 1sgk s LYS 456 CO 0.25 -1.89 0.35 0.42 -0.36 0.00 0.00 175.35 174.12 1sgk s ILE 457 N 5.50 5.25 0.73 5.43 1.01 0.82 -4.96 121.20 134.98 1sgk s ILE 457 Ca 0.43 0.64 -0.10 0.00 0.00 0.00 0.00 60.65 61.61 1sgk s ILE 457 Cb -0.08 -3.69 0.04 0.00 0.01 0.00 0.00 42.46 38.74 1sgk s ILE 457 CO 0.22 0.31 1.09 -0.13 0.00 0.00 0.00 174.94 176.44 1sgk s ARG 458 N 0.93 2.51 0.10 2.79 1.81 -1.26 -1.03 118.95 124.80 1sgk s ARG 458 Ca 0.18 0.22 0.10 0.00 -1.72 0.00 0.00 55.73 54.52 1sgk s ARG 458 Cb -0.14 -2.04 -0.04 0.00 -0.45 0.00 0.00 34.95 32.28 1sgk s ARG 458 CO 0.06 -1.20 -0.27 -1.64 -0.68 0.00 0.00 175.30 171.58 1sgk s MET 459 N -5.38 1.55 -0.38 3.54 -1.94 -1.26 -0.06 119.30 115.38 1sgk s MET 459 Ca 0.59 -1.26 -0.02 0.00 -1.71 0.00 0.00 55.69 53.30 1sgk s MET 459 Cb -0.11 -1.93 0.10 0.00 2.01 0.00 0.00 34.83 34.90 1sgk s MET 459 CO 0.49 0.47 0.15 -0.98 -0.01 0.00 0.00 175.02 175.15 1sgk s ARG 460 N -1.76 1.97 -0.20 2.03 1.70 -0.15 -4.91 118.95 117.63 1sgk s ARG 460 Ca 0.13 -1.76 -0.12 0.00 -0.47 0.00 0.00 55.73 53.52 1sgk s ARG 460 Cb -0.10 -3.47 -0.05 0.00 -0.57 0.00 0.00 34.95 30.77 1sgk s ARG 460 CO 0.05 -0.99 0.20 0.00 -1.08 0.00 0.00 175.30 173.48 1sgk s ARG 462 N 0.62 2.29 0.65 0.00 1.70 0.17 -4.94 118.95 119.44 1sgk s ARG 462 Ca 0.11 -0.88 -0.15 0.00 -0.47 0.00 0.00 55.73 54.34 1sgk s ARG 462 Cb -0.12 -2.14 -0.01 0.00 -0.57 0.00 0.00 34.95 32.11 1sgk s ARG 462 CO 0.02 0.53 1.11 0.00 -1.08 0.00 0.00 175.30 175.88 1sgk s ALA 463 N -0.53 2.50 0.29 7.88 0.00 -1.26 0.78 121.76 131.40 1sgk s ALA 463 Ca 0.07 0.57 0.06 0.00 0.00 0.00 0.00 51.96 52.66 1sgk s ALA 463 Cb -0.11 -3.32 -0.02 0.00 0.00 0.00 0.00 23.12 19.67 1sgk s ALA 463 CO 0.00 -1.22 0.26 -0.89 0.00 0.00 0.00 175.76 173.91 1sgk n ILE 464 N -2.31 0.00 -2.74 0.00 5.41 0.18 -4.74 119.36 115.16 1sgk n ILE 464 Ca 0.10 -2.04 -0.40 0.00 1.00 0.00 0.00 62.75 61.41 1sgk n ILE 464 Cb 0.52 1.04 -0.05 0.00 -0.71 0.00 0.00 39.64 40.43 1sgk n ILE 464 CO 0.00 0.00 0.00 1.51 0.00 0.00 0.00 176.55 178.06 1sgk s ASP 465 N -2.99 7.60 0.00 4.38 -4.77 -1.26 -4.10 116.67 115.52 1sgk s ASP 465 Ca 0.33 1.91 0.00 0.00 -3.30 0.00 0.00 52.55 51.49 1sgk s ASP 465 Cb 0.01 -2.60 0.00 0.00 -1.09 0.00 0.00 42.92 39.24 1sgk s ASP 465 CO 0.24 0.08 0.00 0.61 0.70 0.00 0.00 175.17 176.80 1sgk n GLY 466 N 1.73 0.85 2.94 2.12 0.00 -1.26 -4.29 105.19 107.28 1sgk n GLY 466 Ca -0.01 -0.39 -0.13 0.00 0.00 0.00 0.00 46.02 45.49 1sgk n GLY 466 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 1sgk n ASP 467 N 0.72 -2.34 -3.90 1.61 9.92 -1.26 -4.76 116.55 116.55 1sgk n ASP 467 Ca 0.00 -0.50 -0.18 0.00 -0.53 0.00 0.00 54.79 53.57 1sgk n ASP 467 Cb 0.02 -4.21 -0.16 0.00 -0.64 0.00 0.00 41.12 36.13 1sgk n ASP 467 CO 0.00 0.00 0.00 -0.69 0.13 0.00 0.00 177.20 176.64 1sgk s VAL 468 N -3.29 0.45 -0.16 2.53 1.01 -1.26 -2.27 120.40 117.40 1sgk s VAL 468 Ca 0.03 -0.12 0.01 0.00 0.00 0.00 0.00 61.98 61.90 1sgk s VAL 468 Cb -0.00 -0.46 0.01 0.00 0.00 0.00 0.00 36.38 35.92 1sgk s VAL 468 CO 0.58 0.18 -0.17 0.28 0.00 0.00 0.00 175.10 175.97 1sgk s THR 469 N 0.64 2.39 -0.18 3.92 -1.32 -0.61 0.47 115.64 120.94 1sgk s THR 469 Ca -0.08 -0.85 -0.21 0.00 -1.21 0.00 0.00 61.69 59.34 1sgk s THR 469 Cb -0.11 -2.00 -0.03 0.00 -1.51 0.00 0.00 72.50 68.85 1sgk s THR 469 CO -0.00 0.52 0.64 0.12 -2.21 0.00 0.00 174.62 173.69 1sgk s PHE 470 N 1.01 3.40 -0.11 9.09 5.36 0.23 -1.77 117.98 135.19 1sgk s PHE 470 Ca -0.02 0.96 -0.00 0.00 -0.96 0.00 0.00 56.93 56.91 1sgk s PHE 470 Cb -0.15 -2.80 -0.02 0.00 -0.34 0.00 0.00 43.02 39.71 1sgk s PHE 470 CO -0.05 -0.14 -0.10 0.00 -1.46 0.00 0.00 175.22 173.47 1sgk s ARG 472 N -0.05 2.02 0.33 0.00 0.52 -0.62 -1.66 118.95 119.48 1sgk s ARG 472 Ca -0.01 -0.99 -0.29 0.00 -0.52 0.00 0.00 55.73 53.93 1sgk s ARG 472 Cb -0.14 -2.04 -0.10 0.00 0.52 0.00 0.00 34.95 33.19 1sgk s ARG 472 CO 0.03 0.55 1.32 -1.25 0.02 0.00 0.00 175.30 175.97 1sgk s PRO 473 N -0.86 4.34 0.00 3.54 0.04 -1.26 -0.97 135.00 139.82 1sgk s PRO 473 Ca 0.11 2.23 0.22 0.00 0.04 0.00 0.00 61.00 63.60 1sgk s PRO 473 Cb -0.10 -3.07 1.06 0.00 0.04 0.00 0.00 34.50 32.44 1sgk s PRO 473 CO 0.00 -0.21 1.70 1.63 0.04 0.00 0.00 177.00 180.17 1sgk n LYS 474 N 0.83 0.24 -4.06 4.56 5.02 0.92 -4.69 118.16 120.97 1sgk n LYS 474 Ca 0.00 0.09 -0.12 0.00 -2.02 0.00 0.00 58.31 56.27 1sgk n LYS 474 Cb 0.42 -1.50 -0.11 0.00 -0.02 0.00 0.00 35.03 33.82 1sgk n LYS 474 CO 0.00 0.00 0.00 -1.12 -0.52 0.00 0.00 177.40 175.76 1sgk s SER 475 N -2.67 0.75 0.31 4.39 0.01 -1.26 -5.02 113.70 110.21 1sgk s SER 475 Ca 0.18 -0.62 -0.29 0.00 1.31 0.00 0.00 55.95 56.53 1sgk s SER 475 Cb 0.15 0.07 -0.11 0.00 0.21 0.00 0.00 66.02 66.33 1sgk s SER 475 CO 0.35 -0.28 1.52 -2.84 0.41 0.00 0.00 173.24 172.40 1sgk s PRO 476 N -1.97 4.16 -0.17 12.44 0.02 -1.26 -4.99 135.00 143.22 1sgk s PRO 476 Ca -0.07 2.51 -0.01 0.00 0.02 0.00 0.00 61.00 63.45 1sgk s PRO 476 Cb -0.07 -3.03 -0.00 0.00 0.02 0.00 0.00 34.50 31.42 1sgk s PRO 476 CO -0.01 -0.54 -0.13 0.08 -0.33 0.00 0.00 177.00 176.06 1sgk s VAL 477 N -0.38 2.80 0.03 3.83 1.01 -1.26 -5.09 120.40 121.34 1sgk s VAL 477 Ca 0.59 -0.72 0.05 0.00 0.00 0.00 0.00 61.98 61.91 1sgk s VAL 477 Cb -0.46 -2.20 -0.02 0.00 0.00 0.00 0.00 36.38 33.70 1sgk s VAL 477 CO 0.52 0.50 -0.16 -0.31 0.00 0.00 0.00 175.10 175.65 1sgk s TYR 478 N 0.93 1.38 0.11 5.22 2.02 -1.26 -1.60 117.35 124.16 1sgk s TYR 478 Ca -0.03 -0.33 0.03 0.00 -0.37 0.00 0.00 57.07 56.37 1sgk s TYR 478 Cb -0.15 -0.84 -0.04 0.00 -0.40 0.00 0.00 41.96 40.53 1sgk s TYR 478 CO -0.01 0.03 -0.09 0.14 -1.57 0.00 0.00 175.55 174.05 1sgk s VAL 479 N -0.72 0.94 -1.61 0.71 -7.23 0.77 -4.82 120.40 108.45 1sgk s VAL 479 Ca 0.04 -1.85 0.00 0.00 -1.81 0.00 0.00 61.98 58.36 1sgk s VAL 479 Cb -0.08 -1.59 0.00 0.00 0.56 0.00 0.00 36.38 35.27 1sgk s VAL 479 CO 0.01 -0.70 0.00 0.61 -0.31 0.00 0.00 175.10 174.71 1sgk n GLY 480 N 0.16 -0.68 3.63 2.32 0.00 -0.32 -0.75 105.19 109.56 1sgk n GLY 480 Ca -0.13 -0.79 -0.43 0.00 0.00 0.00 0.00 46.02 44.67 1sgk n GLY 480 CO 0.00 0.00 0.00 0.21 0.00 0.00 0.00 173.32 173.53 1sgk s ASN 481 N -4.00 6.13 0.00 1.61 3.84 -0.35 -1.75 114.94 120.42 1sgk s ASN 481 Ca 0.00 1.89 0.00 0.00 0.21 0.00 0.00 52.86 54.96 1sgk s ASN 481 Cb 0.00 -2.53 0.00 0.00 -0.55 0.00 0.00 41.25 38.17 1sgk s ASN 481 CO 0.00 -1.42 0.00 0.61 -2.79 0.00 0.00 177.10 173.50 1sgk n GLY 482 N 4.96 0.74 2.91 1.21 0.00 -1.26 -5.01 105.19 108.74 1sgk n GLY 482 Ca 0.22 0.00 -0.28 0.00 0.00 0.00 0.00 46.02 45.96 1sgk n GLY 482 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1sgk s VAL 483 N -2.32 1.15 0.12 1.61 1.01 -0.72 -5.02 120.40 116.23 1sgk s VAL 483 Ca 0.00 -0.59 0.06 0.00 0.00 0.00 0.00 61.98 61.45 1sgk s VAL 483 Cb 0.00 -1.28 -0.04 0.00 0.00 0.00 0.00 36.38 35.06 1sgk s VAL 483 CO 0.00 0.19 -0.14 -1.38 0.00 0.00 0.00 175.10 173.78 1sgk s HIS 484 N 1.62 1.38 0.17 5.22 -3.43 -1.26 -1.17 115.29 117.82 1sgk s HIS 484 Ca 0.02 -0.56 0.05 0.00 -0.80 0.00 0.00 55.06 53.76 1sgk s HIS 484 Cb -0.15 -0.72 -0.05 0.00 -1.43 0.00 0.00 32.58 30.23 1sgk s HIS 484 CO -0.08 0.13 -0.08 0.00 -2.00 0.00 0.00 174.74 172.71 1sgk s ALA 485 N -2.15 1.59 -0.18 -1.38 0.00 -0.16 -0.35 121.76 119.12 1sgk s ALA 485 Ca 0.09 -1.57 -0.02 0.00 0.00 0.00 0.00 51.96 50.45 1sgk s ALA 485 Cb -0.05 0.14 0.05 0.00 0.00 0.00 0.00 23.12 23.27 1sgk s ALA 485 CO 0.03 -0.12 0.02 1.21 0.00 0.00 0.00 175.76 176.90 1sgk s ASN 486 N -3.21 2.77 -0.18 0.00 2.47 0.01 -1.26 114.94 115.54 1sgk s ASN 486 Ca 0.20 -0.73 -0.23 0.00 0.42 0.00 0.00 52.86 52.52 1sgk s ASN 486 Cb 0.03 -0.61 -0.02 0.00 -1.45 0.00 0.00 41.25 39.19 1sgk s ASN 486 CO 0.03 -0.28 0.72 -0.22 -3.72 0.00 0.00 177.10 173.62 1sgk s LEU 487 N 1.84 4.17 -0.27 3.21 2.96 0.07 -1.23 118.68 129.43 1sgk s LEU 487 Ca -0.00 0.99 -0.02 0.00 -0.22 0.00 0.00 54.13 54.88 1sgk s LEU 487 Cb -0.16 -3.04 0.03 0.00 0.50 0.00 0.00 46.19 43.52 1sgk s LEU 487 CO -0.08 -0.32 -0.03 -2.28 -1.32 0.00 0.00 176.35 172.33 1sgk s HIS 488 N 1.95 3.14 -0.19 5.38 5.65 0.47 -0.94 115.29 130.75 1sgk s HIS 488 Ca 0.33 -1.61 -0.12 0.00 0.25 0.00 0.00 55.06 53.92 1sgk s HIS 488 Cb -0.16 -2.09 -0.05 0.00 -1.18 0.00 0.00 32.58 29.10 1sgk s HIS 488 CO 0.11 -0.74 0.20 0.08 -0.65 0.00 0.00 174.74 173.75 1sgk s VAL 489 N 1.32 5.36 -0.24 0.89 1.01 -0.02 -1.17 120.40 127.55 1sgk s VAL 489 Ca -0.01 0.35 -0.02 0.00 0.00 0.00 0.00 61.98 62.29 1sgk s VAL 489 Cb -0.18 -3.54 0.02 0.00 0.00 0.00 0.00 36.38 32.68 1sgk s VAL 489 CO -0.03 0.41 -0.06 0.00 0.00 0.00 0.00 175.10 175.42 1sgk s ALA 490 N 0.47 2.72 0.06 5.51 0.00 -1.26 -0.12 121.76 129.14 1sgk s ALA 490 Ca 0.12 -1.37 0.02 0.00 0.00 0.00 0.00 51.96 50.72 1sgk s ALA 490 Cb -0.12 -1.69 -0.04 0.00 0.00 0.00 0.00 23.12 21.27 1sgk s ALA 490 CO 0.01 -0.69 0.13 -0.06 0.00 0.00 0.00 175.76 175.15 1sgk s PHE 491 N 1.37 3.32 -0.01 0.00 0.08 -0.41 -1.18 117.98 121.15 1sgk s PHE 491 Ca 0.02 0.16 0.02 0.00 0.12 0.00 0.00 56.93 57.25 1sgk s PHE 491 Cb -0.16 -1.68 -0.00 0.00 -0.57 0.00 0.00 43.02 40.61 1sgk s PHE 491 CO -0.04 0.55 -0.08 -1.58 -0.10 0.00 0.00 175.22 173.97 1sgk s HIS 492 N -1.41 0.75 -0.15 0.36 5.65 0.11 -1.39 115.29 119.21 1sgk s HIS 492 Ca 0.31 -0.15 0.00 0.00 0.25 0.00 0.00 55.06 55.47 1sgk s HIS 492 Cb -0.12 -0.51 0.02 0.00 -1.18 0.00 0.00 32.58 30.79 1sgk s HIS 492 CO 0.23 -0.04 -0.15 1.03 -0.65 0.00 0.00 174.74 175.16 1sgk s ARG 493 N -0.05 2.39 0.13 2.88 0.52 0.26 -1.14 118.95 123.94 1sgk s ARG 493 Ca 0.01 -0.60 0.19 0.00 -0.52 0.00 0.00 55.73 54.81 1sgk s ARG 493 Cb -0.05 -2.16 -0.07 0.00 0.52 0.00 0.00 34.95 33.19 1sgk s ARG 493 CO -0.00 -0.23 0.94 0.66 0.02 0.00 0.00 175.30 176.69 1sgk h SER 494 N 8.01 0.00 -3.05 0.23 4.64 -1.34 0.52 113.55 122.56 1sgk h SER 494 Ca -0.39 0.00 -0.67 0.00 -0.47 0.00 0.00 61.79 60.26 1sgk h SER 494 Cb 1.14 0.00 -0.12 0.00 -0.31 0.00 0.00 62.40 63.11 1sgk h SER 494 CO 0.54 0.38 -0.56 -0.55 -0.87 0.00 0.00 176.83 175.77 1sgk s SER 495 N -5.69 5.72 0.00 4.97 0.15 -1.10 -4.79 113.70 112.96 1sgk s SER 495 Ca -0.02 0.26 0.28 0.00 0.70 0.00 0.00 55.95 57.18 1sgk s SER 495 Cb 0.09 -1.76 1.14 0.00 -1.71 0.00 0.00 66.02 63.78 1sgk s SER 495 CO 0.80 0.37 1.80 -1.54 1.20 0.00 0.00 173.24 175.86 1sgk n SER 496 N 2.24 1.09 -4.77 5.45 3.41 -1.26 -4.22 113.62 115.56 1sgk n SER 496 Ca -0.19 -1.22 -0.41 0.00 -0.26 0.00 0.00 58.87 56.79 1sgk n SER 496 Cb 0.54 0.01 -0.02 0.00 -0.26 0.00 0.00 64.21 64.48 1sgk n SER 496 CO 0.00 0.00 0.00 -1.61 -0.16 0.00 0.00 175.04 173.27 1sgk s GLU 497 N -2.14 4.32 0.51 4.33 0.41 -1.26 -3.36 118.70 121.52 1sgk s GLU 497 Ca 0.36 2.26 -0.20 0.00 -0.41 0.00 0.00 54.97 56.98 1sgk s GLU 497 Cb 0.21 -3.07 -0.07 0.00 -1.78 0.00 0.00 34.13 29.41 1sgk s GLU 497 CO 0.39 -0.26 1.07 0.15 -0.49 0.00 0.00 175.26 176.12 1sgk s LYS 498 N -1.54 3.63 0.16 1.61 1.02 -1.26 -4.22 119.74 119.14 1sgk s LYS 498 Ca 0.51 1.45 -0.30 0.00 0.02 0.00 0.00 55.97 57.65 1sgk s LYS 498 Cb -0.41 -2.06 -0.07 0.00 -0.52 0.00 0.00 37.83 34.77 1sgk s LYS 498 CO 0.52 -0.59 1.19 0.42 -0.92 0.00 0.00 175.35 175.97 1sgk s ILE 499 N -1.91 3.70 -0.01 2.17 1.01 -1.26 -4.93 121.20 119.97 1sgk s ILE 499 Ca 0.69 1.38 0.00 0.00 0.00 0.00 0.00 60.65 62.72 1sgk s ILE 499 Cb -0.19 -3.88 -0.04 0.00 0.01 0.00 0.00 42.46 38.36 1sgk s ILE 499 CO 0.23 0.20 0.06 -2.28 0.00 0.00 0.00 174.94 173.14 1sgk s HIS 500 N 0.18 3.22 0.42 3.97 5.65 -1.26 -5.00 115.29 122.47 1sgk s HIS 500 Ca 0.54 0.17 0.23 0.00 0.25 0.00 0.00 55.06 56.25 1sgk s HIS 500 Cb -0.32 -1.72 1.23 0.00 -1.18 0.00 0.00 32.58 30.59 1sgk s HIS 500 CO 0.35 0.53 1.73 0.66 -0.65 0.00 0.00 174.74 177.35 1sgk h SER 501 N 4.21 0.35 -0.00 9.88 4.64 -1.95 0.46 113.55 131.14 1sgk h SER 501 Ca -0.49 0.09 -0.03 0.00 -0.47 0.00 0.00 61.79 60.89 1sgk h SER 501 Cb 1.18 0.05 -0.01 0.00 -0.31 0.00 0.00 62.40 63.31 1sgk h SER 501 CO 0.60 -0.00 -0.07 0.78 -0.87 0.00 0.00 176.83 177.27 1sgk h ASN 502 N 0.27 0.18 1.70 4.97 4.21 -2.02 -2.12 115.58 122.78 1sgk h ASN 502 Ca 0.66 -0.03 -0.03 0.00 1.21 0.00 0.00 56.30 58.11 1sgk h ASN 502 Cb 1.88 -0.05 -0.00 0.00 -1.12 0.00 0.00 38.32 39.03 1sgk h ASN 502 CO -0.31 0.28 -0.15 -0.33 -1.29 0.00 0.00 177.43 175.63 1sgk h GLU 503 N 0.19 0.00 -5.52 0.81 5.08 -0.47 -3.41 114.58 111.26 1sgk h GLU 503 Ca 0.04 0.00 -0.62 0.00 -1.00 0.00 0.00 59.36 57.78 1sgk h GLU 503 Cb 0.26 0.00 -0.14 0.00 0.50 0.00 0.00 28.75 29.37 1sgk h GLU 503 CO 0.01 0.15 0.56 -1.50 -1.00 0.00 0.00 179.01 177.23 1sgk s ILE 504 N -3.22 4.32 0.01 3.13 1.10 -0.80 -4.91 121.20 120.83 1sgk s ILE 504 Ca 0.05 -0.25 -0.06 0.00 -0.51 0.00 0.00 60.65 59.88 1sgk s ILE 504 Cb 0.06 -4.67 -0.03 0.00 0.15 0.00 0.00 42.46 37.97 1sgk s ILE 504 CO 0.68 -1.42 1.00 0.77 -2.11 0.00 0.00 174.94 173.86 1sgk h SER 505 N 9.54 -0.19 -4.02 4.50 4.64 -1.82 -3.45 113.55 122.75 1sgk h SER 505 Ca -0.28 0.01 -0.69 0.00 -0.47 0.00 0.00 61.79 60.35 1sgk h SER 505 Cb 1.07 0.05 -0.23 0.00 -0.31 0.00 0.00 62.40 62.98 1sgk h SER 505 CO 1.17 -0.12 -0.77 -0.44 -0.87 0.00 0.00 176.83 175.79 1sgk s SER 506 N -2.45 4.00 -0.32 4.97 0.01 -1.26 -5.04 113.70 113.62 1sgk s SER 506 Ca -0.03 -0.23 0.03 0.00 1.31 0.00 0.00 55.95 57.03 1sgk s SER 506 Cb 0.00 -0.81 0.48 0.00 0.21 0.00 0.00 66.02 65.90 1sgk s SER 506 CO 0.10 0.33 1.65 -0.90 0.41 0.00 0.00 173.24 174.82 1sgk n ASP 507 N 2.17 3.57 -3.77 2.44 5.75 -1.26 -4.92 116.55 120.53 1sgk n ASP 507 Ca -0.17 -3.13 -0.12 0.00 -0.01 0.00 0.00 54.79 51.36 1sgk n ASP 507 Cb 0.52 -0.74 -0.08 0.00 -1.03 0.00 0.00 41.12 39.79 1sgk n ASP 507 CO 0.00 0.00 0.00 -0.94 -0.11 0.00 0.00 177.20 176.15 1sgk s SER 508 N -0.64 -0.14 0.01 -1.12 1.04 -1.26 -2.09 113.70 109.50 1sgk s SER 508 Ca 0.41 -0.08 -0.18 0.00 0.48 0.00 0.00 55.95 56.58 1sgk s SER 508 Cb 0.34 0.33 -0.06 0.00 0.10 0.00 0.00 66.02 66.73 1sgk s SER 508 CO 0.08 -0.53 0.50 -0.63 0.98 0.00 0.00 173.24 173.64 1sgk s ILE 509 N -1.98 4.93 -0.35 -1.02 1.01 0.80 -4.76 121.20 119.83 1sgk s ILE 509 Ca -0.09 1.05 -0.02 0.00 0.00 0.00 0.00 60.65 61.59 1sgk s ILE 509 Cb -0.03 -3.83 0.08 0.00 0.01 0.00 0.00 42.46 38.69 1sgk s ILE 509 CO 0.00 0.51 0.10 -0.83 0.00 0.00 0.00 174.94 174.72 1sgk s GLY 510 N -0.70 1.87 0.02 6.18 0.00 -0.81 -1.17 107.32 112.71 1sgk s GLY 510 Ca 0.27 -2.12 -0.27 0.00 0.00 0.00 0.00 44.72 42.60 1sgk s GLY 510 CO 0.15 0.85 0.85 0.14 0.00 0.00 0.00 173.10 175.10 1sgk s VAL 511 N 1.21 4.79 -0.20 1.40 1.01 0.93 -0.67 120.40 128.88 1sgk s VAL 511 Ca 0.02 1.79 -0.07 0.00 0.00 0.00 0.00 61.98 63.71 1sgk s VAL 511 Cb -0.21 -4.19 -0.04 0.00 0.00 0.00 0.00 36.38 31.94 1sgk s VAL 511 CO -0.02 0.28 0.06 -0.76 0.00 0.00 0.00 175.10 174.65 1sgk s LEU 512 N 0.42 3.70 0.00 3.92 2.01 -0.33 -0.89 118.68 127.51 1sgk s LEU 512 Ca 0.44 0.00 0.00 0.00 0.01 0.00 0.00 54.13 54.58 1sgk s LEU 512 Cb -0.21 -1.95 0.00 0.00 0.01 0.00 0.00 46.19 44.05 1sgk s LEU 512 CO 0.25 0.12 0.00 0.61 1.01 0.00 0.00 176.35 178.34 1sgk n GLY 513 N 3.87 1.23 3.49 -3.19 0.00 0.19 0.32 105.19 111.10 1sgk n GLY 513 Ca -0.16 -1.84 -0.31 0.00 0.00 0.00 0.00 46.02 43.71 1sgk n GLY 513 CO 0.00 0.00 0.00 1.58 0.00 0.00 0.00 173.32 174.90 1sgk n TYR 514 N 0.00 -0.64 -4.02 1.61 0.18 -1.19 -3.99 117.16 109.10 1sgk n TYR 514 Ca 0.00 0.19 -0.35 0.00 1.88 0.00 0.00 57.90 59.62 1sgk n TYR 514 Cb 0.00 -1.80 -0.09 0.00 -0.38 0.00 0.00 39.34 37.07 1sgk n TYR 514 CO 0.00 0.00 0.00 -1.14 -2.08 0.00 0.00 176.86 173.64 1sgk s GLN 515 N -4.11 3.80 -0.02 -3.48 0.74 -1.26 -0.42 119.66 114.91 1sgk s GLN 515 Ca 0.63 -0.32 0.03 0.00 0.05 0.00 0.00 55.36 55.74 1sgk s GLN 515 Cb -0.21 -3.17 -0.00 0.00 1.10 0.00 0.00 33.01 30.73 1sgk s GLN 515 CO 0.64 0.39 -0.09 -1.59 -0.55 0.00 0.00 175.29 174.09 1sgk s LYS 516 N 0.04 0.87 -0.18 1.67 -2.85 0.69 -4.98 119.74 114.99 1sgk s LYS 516 Ca 0.06 -0.31 -0.01 0.00 -1.00 0.00 0.00 55.97 54.71 1sgk s LYS 516 Cb -0.12 -0.82 0.10 0.00 -2.06 0.00 0.00 37.83 34.93 1sgk s LYS 516 CO 0.01 0.15 2.10 0.25 0.10 0.00 0.00 175.35 177.96 1sgk n THR 517 N 3.11 2.49 -1.80 3.79 -2.24 -1.26 0.10 114.28 118.47 1sgk n THR 517 Ca -0.16 -1.23 -0.40 0.00 -2.27 0.00 0.00 64.05 59.98 1sgk n THR 517 Cb 0.55 -1.44 0.02 0.00 -2.10 0.00 0.00 70.33 67.36 1sgk n THR 517 CO 0.00 0.00 0.00 -0.69 -0.57 0.00 0.00 175.07 173.81 1sgk s VAL 518 N -1.25 2.07 -1.40 2.28 1.01 -1.02 -1.69 120.40 120.40 1sgk s VAL 518 Ca 0.21 0.06 0.00 0.00 0.00 0.00 0.00 61.98 62.25 1sgk s VAL 518 Cb 0.15 -3.04 0.00 0.00 0.00 0.00 0.00 36.38 33.50 1sgk s VAL 518 CO -0.01 0.01 0.00 -0.67 0.00 0.00 0.00 175.10 174.43 1sgk n ASP 519 N -0.14 -4.65 0.00 3.32 2.03 -1.26 -1.98 116.55 113.86 1sgk n ASP 519 Ca 0.05 0.11 0.00 0.00 0.52 0.00 0.00 54.79 55.47 1sgk n ASP 519 Cb 0.42 -3.69 0.00 0.00 -0.72 0.00 0.00 41.12 37.12 1sgk n ASP 519 CO 0.00 0.00 0.00 1.41 -1.92 0.00 0.00 177.20 176.69 1sgk n HIS 520 N -3.54 0.00 -4.93 -0.67 8.25 -0.68 -4.95 115.22 108.70 1sgk n HIS 520 Ca -0.17 0.00 -0.33 0.00 -0.26 0.00 0.00 57.72 56.96 1sgk n HIS 520 Cb 0.59 -0.90 -0.14 0.00 1.12 0.00 0.00 29.99 30.66 1sgk n HIS 520 CO 0.00 0.00 0.00 0.99 0.64 0.00 0.00 176.34 177.97 1sgk s THR 521 N -2.10 2.88 -0.60 1.59 2.01 -0.84 -5.01 115.64 113.57 1sgk s THR 521 Ca 0.00 -0.77 -0.26 0.00 0.31 0.00 0.00 61.69 60.97 1sgk s THR 521 Cb 0.00 -2.14 -0.06 0.00 0.01 0.00 0.00 72.50 70.31 1sgk s THR 521 CO 0.00 0.57 2.19 -0.54 -0.69 0.00 0.00 174.62 176.15 1sgk s LYS 522 N -0.35 2.24 -0.03 4.92 1.02 -1.26 -2.44 119.74 123.84 1sgk s LYS 522 Ca 0.03 0.89 -0.02 0.00 0.02 0.00 0.00 55.97 56.90 1sgk s LYS 522 Cb -0.12 -4.59 -0.04 0.00 -0.52 0.00 0.00 37.83 32.56 1sgk s LYS 522 CO 0.02 -3.26 0.10 0.54 -0.92 0.00 0.00 175.35 171.83 1sgk s VAL 523 N 11.35 4.89 0.16 3.17 0.11 0.29 -4.93 120.40 135.44 1sgk s VAL 523 Ca 0.85 -0.27 -0.01 0.00 -2.93 0.00 0.00 61.98 59.61 1sgk s VAL 523 Cb -0.14 -3.21 -0.04 0.00 -1.53 0.00 0.00 36.38 31.45 1sgk s VAL 523 CO 0.20 0.41 0.34 0.20 -3.33 0.00 0.00 175.10 172.92 1sgk s ASN 524 N -1.58 6.40 -0.01 3.54 0.01 -1.26 -0.22 114.94 121.81 1sgk s ASN 524 Ca 0.21 0.40 -0.30 0.00 -0.71 0.00 0.00 52.86 52.46 1sgk s ASN 524 Cb -0.12 -2.01 -0.05 0.00 0.41 0.00 0.00 41.25 39.48 1sgk s ASN 524 CO 0.12 0.03 1.38 -0.55 -1.51 0.00 0.00 177.10 176.57 1sgk s SER 525 N -2.88 6.87 -0.23 -1.22 0.15 0.43 -4.86 113.70 111.96 1sgk s SER 525 Ca 0.38 2.07 -0.05 0.00 0.70 0.00 0.00 55.95 59.05 1sgk s SER 525 Cb -0.12 -2.56 -0.02 0.00 -1.71 0.00 0.00 66.02 61.62 1sgk s SER 525 CO 0.28 -0.71 0.01 -0.75 1.20 0.00 0.00 173.24 173.26 1sgk s LYS 526 N 2.45 3.51 -0.20 5.44 2.47 -1.26 0.53 119.74 132.68 1sgk s LYS 526 Ca 0.63 -0.56 -0.02 0.00 -1.56 0.00 0.00 55.97 54.46 1sgk s LYS 526 Cb -0.30 -3.15 -0.00 0.00 -1.46 0.00 0.00 37.83 32.91 1sgk s LYS 526 CO 0.26 -0.19 -0.09 -0.51 0.16 0.00 0.00 175.35 174.98 1sgk s LEU 527 N 1.54 2.69 -0.11 5.43 1.43 -0.07 -5.00 118.68 124.58 1sgk s LEU 527 Ca 0.06 -0.45 -0.01 0.00 -1.03 0.00 0.00 54.13 52.69 1sgk s LEU 527 Cb -0.15 -1.66 -0.03 0.00 0.03 0.00 0.00 46.19 44.38 1sgk s LEU 527 CO -0.00 -0.00 -0.05 -0.44 0.23 0.00 0.00 176.35 176.08 1sgk s SER 528 N 1.36 4.72 -0.26 2.29 0.01 -1.26 -0.05 113.70 120.51 1sgk s SER 528 Ca 0.05 -0.08 0.03 0.00 1.31 0.00 0.00 55.95 57.26 1sgk s SER 528 Cb -0.14 -1.49 0.06 0.00 0.21 0.00 0.00 66.02 64.66 1sgk s SER 528 CO -0.05 0.27 -0.11 -0.76 0.41 0.00 0.00 173.24 172.99 1sgk s LEU 529 N -0.23 3.40 0.05 2.44 2.01 -0.32 -4.30 118.68 121.74 1sgk s LEU 529 Ca 0.04 -1.38 -0.27 0.00 0.01 0.00 0.00 54.13 52.53 1sgk s LEU 529 Cb -0.13 -1.54 -0.05 0.00 0.01 0.00 0.00 46.19 44.48 1sgk s LEU 529 CO 0.02 -0.19 0.85 -0.36 1.01 0.00 0.00 176.35 177.69 1sgk s PHE 530 N 1.11 3.74 0.49 0.29 0.40 0.13 -0.14 117.98 124.00 1sgk s PHE 530 Ca -0.09 1.60 0.04 0.00 -0.60 0.00 0.00 56.93 57.88 1sgk s PHE 530 Cb -0.20 -2.94 -0.01 0.00 0.51 0.00 0.00 43.02 40.38 1sgk s PHE 530 CO -0.05 0.20 0.17 -0.59 0.70 0.00 0.00 175.22 175.65 1sgk s PHE 531 N 0.17 2.03 -0.00 0.36 -0.12 -0.89 -4.47 117.98 115.06 1sgk s PHE 531 Ca 0.43 -0.81 0.01 0.00 -0.05 0.00 0.00 56.93 56.51 1sgk s PHE 531 Cb -0.21 -1.80 -0.00 0.00 -0.63 0.00 0.00 43.02 40.37 1sgk s PHE 531 CO 0.26 0.02 -0.03 -1.21 -0.05 0.00 0.00 175.22 174.21 1sgk s GLU 532 N -3.99 0.27 -0.09 1.99 2.02 -0.85 -4.87 118.70 113.17 1sgk s GLU 532 Ca 0.25 -0.10 -0.16 0.00 0.02 0.00 0.00 54.97 54.98 1sgk s GLU 532 Cb 0.02 -0.27 -0.05 0.00 0.10 0.00 0.00 34.13 33.93 1sgk s GLU 532 CO 0.14 0.05 0.42 0.42 0.02 0.00 0.00 175.26 176.31 1sgk s ILE 533 N 0.01 5.17 0.20 -1.63 -1.09 -1.26 -0.41 121.20 122.19 1sgk s ILE 533 Ca 0.00 0.83 -0.01 0.00 -2.23 0.00 0.00 60.65 59.25 1sgk s ILE 533 Cb -0.02 -3.75 -0.04 0.00 -1.58 0.00 0.00 42.46 37.07 1sgk s ILE 533 CO -0.00 0.41 0.11 -0.54 -1.23 0.00 0.00 174.94 173.69 1sgk s LYS 534 N 0.10 1.19 0.00 2.79 1.02 -0.29 -4.93 119.74 119.63 1sgk s LYS 534 Ca 0.23 -1.62 0.00 0.00 0.02 0.00 0.00 55.97 54.60 1sgk s LYS 534 Cb -0.15 0.17 0.00 0.00 -0.52 0.00 0.00 37.83 37.33 1sgk s LYS 534 CO 0.10 -0.35 0.00 0.43 -0.92 0.00 0.00 175.35 174.60