#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1xko s SER -2 N 0.00 7.09 0.00 1.61 0.01 -0.66 -4.94 113.70 116.81 1xko s SER -2 Ca 0.00 1.70 0.00 0.00 1.31 0.00 0.00 55.95 58.96 1xko s SER -2 Cb 0.00 -2.53 0.00 0.00 0.21 0.00 0.00 66.02 63.70 1xko s SER -2 CO 0.00 -0.20 0.00 0.00 0.41 0.00 0.00 173.24 173.45 1xko n HIS -1 N -0.05 0.00 -4.35 2.43 1.44 -1.26 -4.51 115.22 108.92 1xko n HIS -1 Ca 0.04 0.00 -0.20 0.00 -2.01 0.00 0.00 57.72 55.55 1xko n HIS -1 Cb 0.52 0.00 -0.09 0.00 0.12 0.00 0.00 29.99 30.55 1xko n HIS -1 CO 0.00 0.00 0.00 1.41 -2.81 0.00 0.00 176.34 174.94 1xko s MET 0 N -1.38 1.70 -0.18 -1.40 -2.45 -1.26 -4.97 119.30 109.36 1xko s MET 0 Ca 0.00 -1.99 -0.04 0.00 -1.25 0.00 0.00 55.69 52.41 1xko s MET 0 Cb 0.00 -0.03 0.08 0.00 1.25 0.00 0.00 34.83 36.13 1xko s MET 0 CO 0.00 -0.53 0.20 1.41 1.05 0.00 0.00 175.02 177.15 1xko s MET 1 N -3.68 0.15 0.23 4.11 -2.45 -1.26 -4.61 119.30 111.79 1xko s MET 1 Ca 0.35 0.25 -0.27 0.00 -1.25 0.00 0.00 55.69 54.77 1xko s MET 1 Cb 0.04 -1.08 -0.16 0.00 1.25 0.00 0.00 34.83 34.87 1xko s MET 1 CO 0.20 -0.59 0.58 -3.47 1.05 0.00 0.00 175.02 172.79 1xko n ASP 2 N 5.32 -0.91 -0.21 1.11 4.64 -1.26 -4.82 116.55 120.42 1xko n ASP 2 Ca -0.06 1.12 -0.03 0.00 -1.38 0.00 0.00 54.79 54.44 1xko n ASP 2 Cb 0.50 -1.01 0.15 0.00 -1.04 0.00 0.00 41.12 39.72 1xko n ASP 2 CO 0.00 0.00 0.00 0.00 -0.82 0.00 0.00 177.20 176.38 1xko h ALA 3 N 1.12 1.20 -0.79 -1.67 0.00 -2.00 -2.28 119.26 114.84 1xko h ALA 3 Ca -0.31 -0.17 0.09 0.00 0.00 0.00 0.00 54.91 54.53 1xko h ALA 3 Cb 1.42 -0.27 -0.05 0.00 0.00 0.00 0.00 17.79 18.88 1xko h ALA 3 CO 0.57 0.59 0.52 0.00 0.00 0.00 0.00 179.25 180.92 1xko h ARG 4 N 0.99 0.71 -0.33 0.00 3.08 -1.98 0.59 114.38 117.44 1xko h ARG 4 Ca 0.23 -0.04 -0.16 0.00 0.07 0.00 0.00 59.98 60.08 1xko h ARG 4 Cb 0.18 -0.16 -0.01 0.00 0.08 0.00 0.00 29.97 30.06 1xko h ARG 4 CO -0.02 0.47 -0.43 0.82 -1.07 0.00 0.00 179.97 179.74 1xko h ILE 5 N 0.73 1.28 -0.21 2.04 2.04 -1.77 -0.81 117.51 120.81 1xko h ILE 5 Ca 0.36 -1.61 -0.03 0.00 1.00 0.00 0.00 64.86 64.58 1xko h ILE 5 Cb 0.43 1.48 -0.01 0.00 -0.74 0.00 0.00 36.82 37.98 1xko h ILE 5 CO -0.14 0.53 0.02 0.58 0.00 0.00 0.00 178.15 179.14 1xko h VAL 6 N 0.67 1.24 0.00 1.67 2.07 -0.96 -0.88 116.25 120.06 1xko h VAL 6 Ca 0.05 -0.80 -0.05 0.00 0.82 0.00 0.00 66.70 66.72 1xko h VAL 6 Cb 1.01 1.36 -0.01 0.00 -1.52 0.00 0.00 31.29 32.13 1xko h VAL 6 CO 0.10 0.25 -0.24 0.78 0.02 0.00 0.00 177.57 178.47 1xko h ASN 7 N 0.14 0.00 0.95 0.57 2.35 -0.90 0.22 115.58 118.91 1xko h ASN 7 Ca 0.06 0.00 -0.16 0.00 -0.55 0.00 0.00 56.30 55.65 1xko h ASN 7 Cb 0.35 0.00 -0.02 0.00 0.05 0.00 0.00 38.32 38.70 1xko h ASN 7 CO 0.01 0.24 -0.78 0.00 -1.65 0.00 0.00 177.43 175.25 1xko h ALA 8 N 1.76 0.61 0.31 -0.83 0.00 -0.93 -1.20 119.26 118.97 1xko h ALA 8 Ca -0.00 -0.71 -0.01 0.00 0.00 0.00 0.00 54.91 54.18 1xko h ALA 8 Cb 0.47 -0.13 0.00 0.00 0.00 0.00 0.00 17.79 18.14 1xko h ALA 8 CO 0.03 0.98 -0.15 1.25 0.00 0.00 0.00 179.25 181.36 1xko h LEU 9 N 0.00 -0.35 -0.69 0.00 5.85 0.10 -2.25 115.31 117.97 1xko h LEU 9 Ca -0.01 -0.17 0.11 0.00 0.84 0.00 0.00 57.88 58.66 1xko h LEU 9 Cb 1.47 0.09 -0.08 0.00 0.37 0.00 0.00 40.66 42.51 1xko h LEU 9 CO 0.10 0.12 0.29 0.40 -0.34 0.00 0.00 178.44 179.01 1xko h ILE 10 N -0.97 0.75 -0.51 4.05 2.04 -0.66 -0.76 117.51 121.44 1xko h ILE 10 Ca -0.04 -0.16 -0.00 0.00 1.00 0.00 0.00 64.86 65.65 1xko h ILE 10 Cb 0.49 0.24 -0.02 0.00 -0.74 0.00 0.00 36.82 36.78 1xko h ILE 10 CO 0.07 0.09 0.31 1.23 0.00 0.00 0.00 178.15 179.84 1xko h GLY 11 N 0.47 0.74 2.00 5.37 0.00 -1.28 -2.15 103.07 108.22 1xko h GLY 11 Ca 0.36 -0.30 -0.02 0.00 0.00 0.00 0.00 47.33 47.36 1xko h GLY 11 CO -0.33 0.29 -0.12 1.76 0.00 0.00 0.00 176.54 178.14 1xko h SER 12 N 0.68 0.00 -0.02 0.19 0.02 -0.59 -2.58 113.55 111.26 1xko h SER 12 Ca 0.18 0.00 -0.01 0.00 -0.84 0.00 0.00 61.79 61.13 1xko h SER 12 Cb -0.02 0.00 -0.00 0.00 0.14 0.00 0.00 62.40 62.52 1xko h SER 12 CO -0.03 0.12 -0.02 0.58 -1.14 0.00 0.00 176.83 176.33 1xko h VAL 13 N 0.00 1.40 0.65 2.27 2.07 -0.53 -2.08 116.25 120.03 1xko h VAL 13 Ca -0.00 -1.21 -0.03 0.00 0.82 0.00 0.00 66.70 66.28 1xko h VAL 13 Cb 0.26 2.18 -0.00 0.00 -1.52 0.00 0.00 31.29 32.21 1xko h VAL 13 CO 0.02 0.32 -0.41 1.88 0.02 0.00 0.00 177.57 179.40 1xko h TYR 14 N -0.45 -1.09 -0.99 1.57 0.05 -1.28 -1.26 116.97 113.51 1xko h TYR 14 Ca 0.00 -0.01 0.20 0.00 0.05 0.00 0.00 58.73 58.97 1xko h TYR 14 Cb 0.53 0.39 -0.11 0.00 1.01 0.00 0.00 36.73 38.55 1xko h TYR 14 CO 0.10 -0.61 0.59 0.93 -1.05 0.00 0.00 178.16 178.13 1xko h GLU 15 N -0.99 0.69 0.21 4.88 5.08 -1.59 -1.45 114.58 121.41 1xko h GLU 15 Ca -0.09 -0.04 -0.01 0.00 -1.00 0.00 0.00 59.36 58.22 1xko h GLU 15 Cb 0.80 -0.16 0.00 0.00 0.50 0.00 0.00 28.75 29.89 1xko h GLU 15 CO 0.08 0.46 -0.10 1.15 -1.00 0.00 0.00 179.01 179.59 1xko h THR 16 N 0.71 0.33 0.00 1.13 2.02 -1.17 -2.23 112.91 113.71 1xko h THR 16 Ca 0.59 -0.95 -0.02 0.00 0.77 0.00 0.00 66.41 66.81 1xko h THR 16 Cb 0.96 0.58 -0.00 0.00 -1.74 0.00 0.00 68.15 67.95 1xko h THR 16 CO -0.41 0.09 -0.08 0.16 0.37 0.00 0.00 175.52 175.66 1xko h ILE 17 N -1.02 0.43 0.51 3.11 -0.00 -1.18 -0.56 117.51 118.80 1xko h ILE 17 Ca -0.03 -0.40 -0.03 0.00 -0.00 0.00 0.00 64.86 64.41 1xko h ILE 17 Cb 0.37 1.28 0.01 0.00 -0.00 0.00 0.00 36.82 38.47 1xko h ILE 17 CO 0.05 0.08 -0.25 -0.09 -0.00 0.00 0.00 178.15 177.94 1xko h ARG 18 N 0.00 -0.66 -0.07 0.16 1.12 -1.24 0.13 114.38 113.81 1xko h ARG 18 Ca -0.00 0.05 -0.09 0.00 -1.11 0.00 0.00 59.98 58.83 1xko h ARG 18 Cb 0.27 0.15 -0.01 0.00 -0.01 0.00 0.00 29.97 30.37 1xko h ARG 18 CO 0.01 -0.37 -0.35 -0.44 -3.11 0.00 0.00 179.97 175.70 1xko h ASP 19 N -1.08 0.14 0.34 -3.80 3.32 -1.13 0.53 116.42 114.74 1xko h ASP 19 Ca -0.07 -0.05 -0.32 0.00 0.02 0.00 0.00 57.03 56.61 1xko h ASP 19 Cb 0.60 -0.04 -0.04 0.00 0.22 0.00 0.00 39.33 40.07 1xko h ASP 19 CO 0.12 0.49 -1.85 0.52 -1.72 0.00 0.00 179.24 176.80 1xko n VAL 20 N -4.09 1.65 0.17 -1.35 0.31 -0.24 -4.47 118.33 110.31 1xko n VAL 20 Ca -0.01 -0.75 0.08 0.00 -0.01 0.00 0.00 64.34 63.65 1xko n VAL 20 Cb 0.42 -1.23 -0.12 0.00 -0.91 0.00 0.00 33.84 31.99 1xko n VAL 20 CO 0.00 0.00 0.00 0.18 -1.32 0.00 0.00 176.83 175.69 1xko n LEU 21 N -3.17 0.18 -0.05 7.52 4.77 0.45 -4.25 117.00 122.45 1xko n LEU 21 Ca -0.23 -0.12 -0.01 0.00 -0.03 0.00 0.00 56.01 55.63 1xko n LEU 21 Cb 1.06 0.00 -0.00 0.00 -2.33 0.00 0.00 43.42 42.14 1xko n LEU 21 CO 0.44 0.05 -0.01 0.61 -1.33 0.00 0.00 177.39 177.15 1xko n GLY 22 N 1.50 0.45 2.95 -0.72 0.00 0.19 -4.70 105.19 104.85 1xko n GLY 22 Ca -0.02 -0.82 -0.24 0.00 0.00 0.00 0.00 46.02 44.94 1xko n GLY 22 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1xko s ILE 23 N -2.02 0.91 -0.38 -0.61 1.01 -1.23 -5.00 121.20 113.89 1xko s ILE 23 Ca 0.00 -0.31 -0.29 0.00 0.00 0.00 0.00 60.65 60.06 1xko s ILE 23 Cb 0.00 -0.89 0.01 0.00 0.01 0.00 0.00 42.46 41.59 1xko s ILE 23 CO 0.00 0.32 1.30 -0.70 0.00 0.00 0.00 174.94 175.86 1xko s GLU 24 N 1.08 3.76 0.94 2.79 2.56 -1.26 -3.27 118.70 125.30 1xko s GLU 24 Ca -0.07 0.98 -0.12 0.00 0.00 0.00 0.00 54.97 55.76 1xko s GLU 24 Cb -0.14 -3.93 0.16 0.00 2.00 0.00 0.00 34.13 32.21 1xko s GLU 24 CO -0.01 -1.33 1.10 -1.25 -0.56 0.00 0.00 175.26 173.22 1xko s PRO 25 N 4.48 0.88 -0.56 4.30 0.04 -1.26 -4.97 135.00 137.91 1xko s PRO 25 Ca 0.56 0.52 0.04 0.00 0.04 0.00 0.00 61.00 62.15 1xko s PRO 25 Cb -0.13 -1.79 0.16 0.00 0.04 0.00 0.00 34.50 32.78 1xko s PRO 25 CO 0.28 -2.42 0.38 0.21 0.04 0.00 0.00 177.00 175.49 1xko s LYS 26 N -5.06 1.79 0.86 4.56 2.36 -0.02 -4.98 119.74 119.26 1xko s LYS 26 Ca 0.64 -2.70 -0.14 0.00 -2.55 0.00 0.00 55.97 51.23 1xko s LYS 26 Cb -0.17 -2.70 0.03 0.00 -1.05 0.00 0.00 37.83 33.94 1xko s LYS 26 CO 0.56 -1.27 0.63 2.41 1.55 0.00 0.00 175.35 179.23 1xko n THR 27 N 2.62 0.88 -1.64 3.43 -1.04 -1.26 -2.35 114.28 114.92 1xko n THR 27 Ca 0.18 -0.24 0.00 0.00 -2.04 0.00 0.00 64.05 61.95 1xko n THR 27 Cb 0.38 -0.78 0.00 0.00 -1.82 0.00 0.00 70.33 68.10 1xko n THR 27 CO 0.00 0.00 0.00 0.61 -0.64 0.00 0.00 175.07 175.04 1xko n GLY 28 N 1.30 2.48 3.63 3.41 0.00 0.23 -4.86 105.19 111.39 1xko n GLY 28 Ca 0.09 -1.97 -0.38 0.00 0.00 0.00 0.00 46.02 43.77 1xko n GLY 28 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 1xko s LYS 29 N 3.23 4.04 0.49 1.61 2.20 -1.26 -4.86 119.74 125.19 1xko s LYS 29 Ca 0.00 -0.17 -0.22 0.00 -0.36 0.00 0.00 55.97 55.22 1xko s LYS 29 Cb 0.00 -3.59 -0.07 0.00 -1.51 0.00 0.00 37.83 32.66 1xko s LYS 29 CO 0.00 -0.08 1.21 -2.14 -0.36 0.00 0.00 175.35 173.98 1xko s PRO 30 N 1.45 3.57 -0.08 4.03 0.02 -1.26 -4.61 135.00 138.13 1xko s PRO 30 Ca 0.10 1.88 -0.23 0.00 0.02 0.00 0.00 61.00 62.77 1xko s PRO 30 Cb -0.15 -2.34 0.05 0.00 0.02 0.00 0.00 34.50 32.08 1xko s PRO 30 CO 0.08 -0.73 0.54 -1.54 -0.33 0.00 0.00 177.00 175.01 1xko s SER 31 N -1.29 -0.50 0.05 2.53 1.04 -0.93 -5.01 113.70 109.60 1xko s SER 31 Ca 0.66 0.64 -0.25 0.00 0.48 0.00 0.00 55.95 57.48 1xko s SER 31 Cb -0.31 0.63 -0.06 0.00 0.10 0.00 0.00 66.02 66.39 1xko s SER 31 CO 0.37 -0.45 0.77 -0.89 0.98 0.00 0.00 173.24 174.02 1xko s THR 32 N -0.83 4.72 0.15 2.02 2.01 -1.26 -0.32 115.64 122.13 1xko s THR 32 Ca -0.09 1.63 0.10 0.00 0.31 0.00 0.00 61.69 63.64 1xko s THR 32 Cb -0.03 -4.11 -0.04 0.00 0.01 0.00 0.00 72.50 68.33 1xko s THR 32 CO 0.06 0.37 -0.23 0.54 -0.69 0.00 0.00 174.62 174.67 1xko s VAL 33 N -0.11 2.09 0.41 3.82 0.11 -0.52 -4.93 120.40 121.27 1xko s VAL 33 Ca 0.38 -1.84 0.15 0.00 -2.93 0.00 0.00 61.98 57.75 1xko s VAL 33 Cb -0.21 -1.92 0.16 0.00 -1.53 0.00 0.00 36.38 32.89 1xko s VAL 33 CO 0.23 -0.09 1.94 0.77 -3.33 0.00 0.00 175.10 174.62 1xko h SER 34 N 3.57 0.00 -5.51 3.54 4.64 -1.97 -3.39 113.55 114.43 1xko h SER 34 Ca -0.47 0.00 0.23 0.00 -0.47 0.00 0.00 61.79 61.08 1xko h SER 34 Cb 1.19 0.00 -0.08 0.00 -0.31 0.00 0.00 62.40 63.20 1xko h SER 34 CO 0.44 0.24 0.63 -1.38 -0.87 0.00 0.00 176.83 175.90 1xko s HIS 35 N -4.43 -0.04 -0.21 4.77 -3.43 -1.26 -4.96 115.29 105.72 1xko s HIS 35 Ca -0.03 -0.22 -0.24 0.00 -0.80 0.00 0.00 55.06 53.77 1xko s HIS 35 Cb 0.15 0.63 -0.01 0.00 -1.43 0.00 0.00 32.58 31.91 1xko s HIS 35 CO 0.70 -0.66 0.77 0.42 -2.00 0.00 0.00 174.74 173.96 1xko s ILE 36 N -2.67 4.90 -0.39 -5.38 1.01 -1.26 -5.03 121.20 112.39 1xko s ILE 36 Ca 0.17 1.46 -0.03 0.00 0.00 0.00 0.00 60.65 62.25 1xko s ILE 36 Cb 0.00 -4.07 0.09 0.00 0.01 0.00 0.00 42.46 38.50 1xko s ILE 36 CO 0.01 0.00 0.17 -1.61 0.00 0.00 0.00 174.94 173.51 1xko s GLU 37 N 2.42 2.15 -0.25 2.79 0.41 -1.26 -4.39 118.70 120.57 1xko s GLU 37 Ca 0.34 -1.67 -0.13 0.00 -0.41 0.00 0.00 54.97 53.10 1xko s GLU 37 Cb -0.16 -3.52 -0.04 0.00 -1.78 0.00 0.00 34.13 28.63 1xko s GLU 37 CO 0.10 -0.97 0.29 0.42 -0.49 0.00 0.00 175.26 174.60 1xko s ILE 38 N 1.19 5.25 -0.09 -1.63 1.01 -1.26 -4.95 121.20 120.73 1xko s ILE 38 Ca 0.05 0.41 0.15 0.00 0.00 0.00 0.00 60.65 61.26 1xko s ILE 38 Cb -0.22 -3.62 -0.20 0.00 0.01 0.00 0.00 42.46 38.43 1xko s ILE 38 CO -0.03 0.24 0.65 -2.65 0.00 0.00 0.00 174.94 173.15 1xko n PRO 39 N 4.85 0.63 -1.26 2.79 -0.02 -1.26 -4.81 135.00 135.93 1xko n PRO 39 Ca -0.11 0.23 -0.29 0.00 -2.02 0.00 0.00 63.50 61.30 1xko n PRO 39 Cb 0.51 -1.76 0.19 0.00 -0.02 0.00 0.00 33.50 32.42 1xko n PRO 39 CO 0.00 0.00 0.00 -1.01 1.98 0.00 0.00 175.50 176.47 1xko s HIS 40 N -2.72 1.67 -1.43 6.00 3.76 -1.26 -5.01 115.29 116.29 1xko s HIS 40 Ca -0.05 0.76 0.14 0.00 -0.15 0.00 0.00 55.06 55.76 1xko s HIS 40 Cb 0.08 -3.40 0.04 0.00 1.11 0.00 0.00 32.58 30.41 1xko s HIS 40 CO 0.82 -3.09 0.83 -1.13 -0.85 0.00 0.00 174.74 171.32 1xko n SER 41 N -4.26 1.72 -4.24 1.40 3.41 -1.24 -4.67 113.62 105.74 1xko n SER 41 Ca 0.08 -1.36 -0.26 0.00 -0.26 0.00 0.00 58.87 57.07 1xko n SER 41 Cb 0.59 0.29 -0.15 0.00 -0.26 0.00 0.00 64.21 64.68 1xko n SER 41 CO 0.00 0.00 0.00 -0.76 -0.16 0.00 0.00 175.04 174.12 1xko s LEU 42 N -1.60 2.13 -0.18 1.04 1.43 -1.12 -1.18 118.68 119.20 1xko s LEU 42 Ca 0.13 -0.48 -0.14 0.00 -1.03 0.00 0.00 54.13 52.62 1xko s LEU 42 Cb 0.11 -1.01 0.05 0.00 0.03 0.00 0.00 46.19 45.37 1xko s LEU 42 CO 0.28 0.19 0.46 0.54 0.23 0.00 0.00 176.35 178.06 1xko s VAL 43 N -0.70 -0.01 -0.09 -1.59 0.11 -0.35 -3.06 120.40 114.72 1xko s VAL 43 Ca 0.08 0.03 0.04 0.00 -2.93 0.00 0.00 61.98 59.20 1xko s VAL 43 Cb -0.09 -0.66 0.00 0.00 -1.53 0.00 0.00 36.38 34.10 1xko s VAL 43 CO 0.01 0.01 -0.21 -0.89 -3.33 0.00 0.00 175.10 170.69 1xko s THR 44 N 0.78 1.82 -0.16 5.04 2.01 0.00 0.08 115.64 125.21 1xko s THR 44 Ca -0.04 -0.89 -0.01 0.00 0.31 0.00 0.00 61.69 61.06 1xko s THR 44 Cb -0.05 -1.58 -0.01 0.00 0.01 0.00 0.00 72.50 70.87 1xko s THR 44 CO -0.06 0.51 -0.11 -0.69 -0.69 0.00 0.00 174.62 173.58 1xko s VAL 45 N 0.35 3.13 -0.17 3.82 1.01 -0.35 -2.34 120.40 125.85 1xko s VAL 45 Ca -0.16 -0.62 0.00 0.00 0.00 0.00 0.00 61.98 61.21 1xko s VAL 45 Cb -0.17 -2.35 0.04 0.00 0.00 0.00 0.00 36.38 33.90 1xko s VAL 45 CO 0.07 0.50 -0.09 -0.63 0.00 0.00 0.00 175.10 174.95 1xko s ILE 46 N 0.68 1.38 0.42 2.22 1.01 -0.51 -1.89 121.20 124.51 1xko s ILE 46 Ca -0.05 -0.74 -0.22 0.00 0.00 0.00 0.00 60.65 59.63 1xko s ILE 46 Cb -0.15 -1.46 -0.10 0.00 0.01 0.00 0.00 42.46 40.76 1xko s ILE 46 CO 0.02 0.22 0.99 -0.83 0.00 0.00 0.00 174.94 175.34 1xko s GLY 47 N 1.53 2.55 -0.03 6.18 0.00 -1.26 -1.09 107.32 115.20 1xko s GLY 47 Ca 0.01 0.53 0.02 0.00 0.00 0.00 0.00 44.72 45.28 1xko s GLY 47 CO -0.08 0.87 -0.09 -0.42 0.00 0.00 0.00 173.10 173.38 1xko s ILE 48 N -1.95 0.76 0.41 0.90 1.01 0.36 -0.98 121.20 121.72 1xko s ILE 48 Ca 0.61 -0.34 0.04 0.00 0.00 0.00 0.00 60.65 60.96 1xko s ILE 48 Cb -0.15 -0.68 -0.02 0.00 0.01 0.00 0.00 42.46 41.62 1xko s ILE 48 CO 0.19 0.24 0.15 0.42 0.00 0.00 0.00 174.94 175.94 1xko s THR 49 N 0.27 0.51 0.00 2.92 -4.23 -0.84 -1.95 115.64 112.32 1xko s THR 49 Ca -0.04 -2.00 0.00 0.00 -1.18 0.00 0.00 61.69 58.47 1xko s THR 49 Cb -0.09 -2.33 0.00 0.00 1.34 0.00 0.00 72.50 71.42 1xko s THR 49 CO 0.01 0.00 0.00 0.61 -0.54 0.00 0.00 174.62 174.70 1xko n GLY 50 N -0.91 1.70 0.19 3.99 0.00 -1.26 -2.41 105.19 106.49 1xko n GLY 50 Ca -0.05 -0.24 -0.03 0.00 0.00 0.00 0.00 46.02 45.70 1xko n GLY 50 CO 0.00 0.00 0.00 -1.33 0.00 0.00 0.00 173.32 171.99 1xko h GLY 51 N 0.00 0.46 -4.42 -0.02 0.00 0.81 -3.41 103.07 96.48 1xko h GLY 51 Ca 0.00 0.08 -0.59 0.00 0.00 0.00 0.00 47.33 46.82 1xko h GLY 51 CO 0.00 -0.14 -0.84 -0.26 0.00 0.00 0.00 176.54 175.29 1xko s ILE 52 N -6.18 1.73 -0.22 2.60 -5.25 -1.25 -4.29 121.20 108.34 1xko s ILE 52 Ca -0.14 -1.28 -0.01 0.00 -0.99 0.00 0.00 60.65 58.23 1xko s ILE 52 Cb 0.16 -1.52 0.02 0.00 2.95 0.00 0.00 42.46 44.07 1xko s ILE 52 CO 0.72 0.18 -0.10 -1.61 -1.79 0.00 0.00 174.94 172.34 1xko s GLU 53 N -1.31 3.00 0.00 0.37 2.02 0.91 -3.13 118.70 120.56 1xko s GLU 53 Ca 0.08 -0.86 0.00 0.00 0.02 0.00 0.00 54.97 54.21 1xko s GLU 53 Cb -0.09 -2.85 0.00 0.00 0.10 0.00 0.00 34.13 31.29 1xko s GLU 53 CO 0.02 -0.29 0.00 0.41 0.02 0.00 0.00 175.26 175.42 1xko n GLY 54 N 4.67 -0.57 3.68 -1.39 0.00 -0.82 0.17 105.19 110.93 1xko n GLY 54 Ca -0.18 -0.41 -0.11 0.00 0.00 0.00 0.00 46.02 45.31 1xko n GLY 54 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 1xko s SER 55 N -4.00 0.38 -0.06 1.61 1.04 -0.43 -0.49 113.70 111.75 1xko s SER 55 Ca 0.00 -1.28 0.01 0.00 0.48 0.00 0.00 55.95 55.17 1xko s SER 55 Cb 0.00 0.77 0.02 0.00 0.10 0.00 0.00 66.02 66.91 1xko s SER 55 CO 0.00 -1.52 -0.08 -0.22 0.98 0.00 0.00 173.24 172.40 1xko s LEU 56 N -3.14 1.42 -0.03 2.42 2.96 -0.25 -0.50 118.68 121.57 1xko s LEU 56 Ca 0.22 -0.22 0.01 0.00 -0.22 0.00 0.00 54.13 53.92 1xko s LEU 56 Cb -0.03 -0.66 0.02 0.00 0.50 0.00 0.00 46.19 46.02 1xko s LEU 56 CO 0.15 -0.03 -0.04 -0.63 -1.32 0.00 0.00 176.35 174.48 1xko s ILE 57 N 0.94 0.43 0.11 6.68 1.01 0.15 -1.42 121.20 129.09 1xko s ILE 57 Ca -0.10 -0.10 0.05 0.00 0.00 0.00 0.00 60.65 60.50 1xko s ILE 57 Cb -0.15 -0.45 -0.04 0.00 0.01 0.00 0.00 42.46 41.84 1xko s ILE 57 CO 0.00 0.18 -0.13 -0.72 0.00 0.00 0.00 174.94 174.28 1xko s TYR 58 N 0.69 1.29 0.09 3.97 -0.85 -0.99 0.13 117.35 121.68 1xko s TYR 58 Ca -0.08 -0.56 -0.20 0.00 -0.52 0.00 0.00 57.07 55.70 1xko s TYR 58 Cb -0.12 -0.69 0.05 0.00 0.38 0.00 0.00 41.96 41.58 1xko s TYR 58 CO -0.00 0.10 0.49 -1.54 -1.52 0.00 0.00 175.55 173.07 1xko s SER 59 N -2.34 -0.39 0.22 -0.18 1.04 0.08 -0.82 113.70 111.32 1xko s SER 59 Ca 0.06 -0.01 -0.22 0.00 0.48 0.00 0.00 55.95 56.26 1xko s SER 59 Cb -0.05 0.50 0.05 0.00 0.10 0.00 0.00 66.02 66.62 1xko s SER 59 CO 0.02 -0.80 0.87 0.72 0.98 0.00 0.00 173.24 175.04 1xko s PHE 60 N -3.07 -0.10 1.05 5.02 -0.12 -1.17 -1.28 117.98 118.30 1xko s PHE 60 Ca -0.02 -0.30 -0.13 0.00 -0.05 0.00 0.00 56.93 56.43 1xko s PHE 60 Cb 0.00 0.69 0.21 0.00 -0.63 0.00 0.00 43.02 43.29 1xko s PHE 60 CO -0.07 -1.05 1.09 -1.54 -0.05 0.00 0.00 175.22 173.60 1xko s SER 61 N -3.00 2.20 0.18 1.98 1.04 -1.26 -2.78 113.70 112.07 1xko s SER 61 Ca 0.13 1.14 -0.09 0.00 0.48 0.00 0.00 55.95 57.60 1xko s SER 61 Cb -0.03 -1.78 0.08 0.00 0.10 0.00 0.00 66.02 64.39 1xko s SER 61 CO 0.05 -3.39 1.66 0.28 0.98 0.00 0.00 173.24 172.82 1xko h SER 62 N -2.07 1.04 0.34 7.02 0.02 -1.98 -2.40 113.55 115.52 1xko h SER 62 Ca -0.55 -0.28 -0.01 0.00 -0.84 0.00 0.00 61.79 60.11 1xko h SER 62 Cb 1.33 -0.28 -0.01 0.00 0.14 0.00 0.00 62.40 63.59 1xko h SER 62 CO 0.55 1.07 -0.22 -0.33 -1.14 0.00 0.00 176.83 176.76 1xko h GLU 63 N 0.99 -0.52 -0.94 3.45 3.07 -2.01 -2.33 114.58 116.29 1xko h GLU 63 Ca 0.19 0.04 0.06 0.00 -0.50 0.00 0.00 59.36 59.15 1xko h GLU 63 Cb 0.50 0.12 -0.07 0.00 -0.84 0.00 0.00 28.75 28.46 1xko h GLU 63 CO 0.02 -0.35 0.60 1.15 -1.40 0.00 0.00 179.01 179.03 1xko h THR 64 N -0.54 1.06 -0.47 1.13 2.02 -1.91 -2.43 112.91 111.78 1xko h THR 64 Ca -0.03 -0.37 0.01 0.00 0.77 0.00 0.00 66.41 66.79 1xko h THR 64 Cb 0.45 -0.11 -0.03 0.00 -1.74 0.00 0.00 68.15 66.72 1xko h THR 64 CO 0.03 0.20 0.29 0.00 0.37 0.00 0.00 175.52 176.41 1xko h ALA 65 N 1.43 0.59 -0.96 6.16 0.00 -1.20 -0.57 119.26 124.72 1xko h ALA 65 Ca 0.41 -0.02 0.04 0.00 0.00 0.00 0.00 54.91 55.34 1xko h ALA 65 Cb 0.17 -0.16 -0.06 0.00 0.00 0.00 0.00 17.79 17.74 1xko h ALA 65 CO -0.17 0.00 0.63 -0.07 0.00 0.00 0.00 179.25 179.64 1xko h LEU 66 N 0.59 1.03 0.30 0.00 3.38 -0.94 0.89 115.31 120.56 1xko h LEU 66 Ca 0.18 -0.01 -0.01 0.00 0.09 0.00 0.00 57.88 58.13 1xko h LEU 66 Cb -0.03 -0.23 0.00 0.00 0.09 0.00 0.00 40.66 40.49 1xko h LEU 66 CO -0.06 0.69 -0.14 0.11 0.09 0.00 0.00 178.44 179.13 1xko h LYS 67 N 1.19 -0.39 -0.53 1.13 1.57 -1.11 -0.43 116.57 117.99 1xko h LYS 67 Ca 0.39 0.03 0.10 0.00 -1.87 0.00 0.00 60.65 59.30 1xko h LYS 67 Cb 0.06 0.09 -0.11 0.00 0.08 0.00 0.00 32.23 32.35 1xko h LYS 67 CO -0.13 -0.14 -0.33 0.28 -0.57 0.00 0.00 179.45 178.55 1xko h VAL 68 N -0.58 0.19 -0.78 0.50 2.07 -0.30 0.54 116.25 117.89 1xko h VAL 68 Ca -0.04 0.00 -0.05 0.00 0.82 0.00 0.00 66.70 67.43 1xko h VAL 68 Cb 0.42 0.19 -0.03 0.00 -1.52 0.00 0.00 31.29 30.35 1xko h VAL 68 CO 0.07 0.00 0.28 0.58 0.02 0.00 0.00 177.57 178.52 1xko h VAL 69 N -0.19 1.26 -0.40 2.57 2.07 -0.82 0.97 116.25 121.71 1xko h VAL 69 Ca 0.21 -0.86 -0.11 0.00 0.82 0.00 0.00 66.70 66.76 1xko h VAL 69 Cb 0.54 0.36 -0.02 0.00 -1.52 0.00 0.00 31.29 30.66 1xko h VAL 69 CO -0.63 0.35 -0.18 -1.28 0.02 0.00 0.00 177.57 175.84 1xko h SER 70 N 1.14 0.77 -0.34 0.57 0.87 0.46 -2.45 113.55 114.58 1xko h SER 70 Ca 0.26 -0.26 -0.14 0.00 -1.23 0.00 0.00 61.79 60.41 1xko h SER 70 Cb 0.25 -0.21 -0.01 0.00 -0.44 0.00 0.00 62.40 62.00 1xko h SER 70 CO -0.02 0.95 -0.34 0.00 -0.53 0.00 0.00 176.83 176.90 1xko h ALA 71 N 1.11 0.50 0.00 6.23 0.00 0.39 0.32 119.26 127.81 1xko h ALA 71 Ca 0.10 -0.43 0.00 0.00 0.00 0.00 0.00 54.91 54.58 1xko h ALA 71 Cb 0.68 -0.11 0.00 0.00 0.00 0.00 0.00 17.79 18.37 1xko h ALA 71 CO 0.05 0.57 0.00 0.52 0.00 0.00 0.00 179.25 180.39 1xko h MET 72 N 0.62 0.00 -0.69 0.00 2.86 -0.60 -2.69 114.93 114.43 1xko h MET 72 Ca 0.05 0.00 -0.47 0.00 -2.06 0.00 0.00 59.70 57.22 1xko h MET 72 Cb 0.93 0.00 -0.30 0.00 0.06 0.00 0.00 31.60 32.29 1xko h MET 72 CO 0.08 0.00 -0.18 -1.33 1.06 0.00 0.00 176.91 176.54 1xko n MET 73 N -2.37 2.84 -0.69 1.72 2.81 -0.94 -4.92 117.12 115.57 1xko n MET 73 Ca -0.00 -3.66 0.00 0.00 -1.81 0.00 0.00 57.70 52.23 1xko n MET 73 Cb 0.12 -2.14 0.00 0.00 -0.71 0.00 0.00 33.22 30.49 1xko n MET 73 CO 0.00 0.00 0.00 0.41 1.51 0.00 0.00 175.97 177.89 1xko n GLY 74 N -0.89 1.23 0.00 3.03 0.00 -1.01 -3.15 105.19 104.40 1xko n GLY 74 Ca 0.45 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.47 1xko n GLY 74 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1xko n GLY 75 N -2.00 1.03 3.76 -0.02 0.00 0.11 -4.98 105.19 103.09 1xko n GLY 75 Ca 0.00 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 45.63 1xko n GLY 75 CO 0.00 0.00 0.00 -3.16 0.00 0.00 0.00 173.32 170.16 1xko s MET 76 N -0.69 4.52 0.19 1.61 0.00 -1.17 -4.89 119.30 118.86 1xko s MET 76 Ca 0.00 1.71 -0.33 0.00 0.00 0.00 0.00 55.69 57.07 1xko s MET 76 Cb 0.00 -3.01 -0.14 0.00 0.00 0.00 0.00 34.83 31.67 1xko s MET 76 CO 0.00 0.13 1.42 -1.91 0.00 0.00 0.00 175.02 174.65 1xko n GLU 77 N 0.85 1.86 -3.57 3.16 2.13 -1.26 -4.52 120.64 119.29 1xko n GLU 77 Ca 0.01 0.66 -0.16 0.00 0.66 0.00 0.00 57.16 58.32 1xko n GLU 77 Cb 0.46 -2.33 -0.13 0.00 0.27 0.00 0.00 31.44 29.71 1xko n GLU 77 CO 0.00 0.00 0.00 -0.47 -0.41 0.00 0.00 177.13 176.25 1xko s TYR 78 N 0.25 -0.31 -0.65 4.31 6.14 -1.26 -5.03 117.35 120.79 1xko s TYR 78 Ca 0.74 0.51 0.07 0.00 0.64 0.00 0.00 57.07 59.03 1xko s TYR 78 Cb -0.72 -0.25 -0.01 0.00 0.42 0.00 0.00 41.96 41.41 1xko s TYR 78 CO 0.46 -0.48 0.52 0.09 0.64 0.00 0.00 175.55 176.79 1xko n ASN 79 N 5.33 0.99 -3.90 4.32 3.02 -1.26 -4.87 115.26 118.90 1xko n ASN 79 Ca -0.05 -1.00 -0.21 0.00 -0.03 0.00 0.00 54.58 53.29 1xko n ASN 79 Cb 0.50 0.50 -0.17 0.00 -0.61 0.00 0.00 39.78 40.00 1xko n ASN 79 CO 0.00 0.00 0.00 -1.10 -2.62 0.00 0.00 177.26 173.54 1xko s GLN 80 N -1.14 0.98 -1.38 3.52 1.11 -1.26 -5.06 119.66 116.43 1xko s GLN 80 Ca 0.06 -0.14 -0.16 0.00 0.01 0.00 0.00 55.36 55.13 1xko s GLN 80 Cb 0.06 -0.99 0.06 0.00 -1.01 0.00 0.00 33.01 31.13 1xko s GLN 80 CO 0.19 -0.10 1.98 1.28 0.01 0.00 0.00 175.29 178.65 1xko n LEU 81 N 4.19 5.90 0.00 2.90 4.32 -1.26 -4.77 117.00 128.29 1xko n LEU 81 Ca -0.22 -4.04 -0.01 0.00 -0.02 0.00 0.00 56.01 51.73 1xko n LEU 81 Cb 0.51 -1.70 0.01 0.00 -1.62 0.00 0.00 43.42 40.61 1xko n LEU 81 CO 0.22 0.63 0.03 -0.90 -1.22 0.00 0.00 177.39 176.15 1xko n ASP 82 N 7.22 0.03 -0.16 -1.43 5.75 -1.26 -4.67 116.55 122.04 1xko n ASP 82 Ca 0.50 -1.04 -0.03 0.00 -0.01 0.00 0.00 54.79 54.21 1xko n ASP 82 Cb 0.42 -0.04 0.03 0.00 -1.03 0.00 0.00 41.12 40.51 1xko n ASP 82 CO 0.00 0.00 0.00 -0.33 -0.11 0.00 0.00 177.20 176.76 1xko h GLU 83 N 0.00 -0.04 -0.94 0.11 4.39 -1.99 -0.24 114.58 115.87 1xko h GLU 83 Ca -0.02 0.00 0.01 0.00 0.34 0.00 0.00 59.36 59.70 1xko h GLU 83 Cb 0.05 0.01 -0.05 0.00 -0.10 0.00 0.00 28.75 28.66 1xko h GLU 83 CO 0.01 -0.02 0.63 1.25 -1.16 0.00 0.00 179.01 179.72 1xko h LEU 84 N -0.04 1.08 0.08 1.33 5.85 -1.95 -1.80 115.31 119.85 1xko h LEU 84 Ca 0.24 -0.03 -0.00 0.00 0.84 0.00 0.00 57.88 58.93 1xko h LEU 84 Cb 0.41 -0.27 0.00 0.00 0.37 0.00 0.00 40.66 41.17 1xko h LEU 84 CO -0.54 0.78 -0.04 0.00 -0.34 0.00 0.00 178.44 178.30 1xko h ALA 85 N 1.42 -0.10 0.00 1.25 0.00 -1.52 -2.83 119.26 117.47 1xko h ALA 85 Ca 0.35 -0.16 -0.00 0.00 0.00 0.00 0.00 54.91 55.09 1xko h ALA 85 Cb -0.13 0.04 -0.00 0.00 0.00 0.00 0.00 17.79 17.70 1xko h ALA 85 CO -0.08 -0.40 -0.02 -0.07 0.00 0.00 0.00 179.25 178.68 1xko h LEU 86 N -0.42 0.00 -0.22 0.00 3.38 -0.88 -1.19 115.31 115.98 1xko h LEU 86 Ca -0.01 0.00 -0.22 0.00 0.09 0.00 0.00 57.88 57.74 1xko h LEU 86 Cb 0.36 0.00 0.01 0.00 0.09 0.00 0.00 40.66 41.12 1xko h LEU 86 CO 0.02 0.02 -0.85 -1.28 0.09 0.00 0.00 178.44 176.45 1xko h SER 87 N 0.00 0.69 -0.30 -0.43 0.87 -1.23 -2.29 113.55 110.86 1xko h SER 87 Ca -0.00 -0.49 -0.01 0.00 -1.23 0.00 0.00 61.79 60.06 1xko h SER 87 Cb 0.06 -0.21 -0.01 0.00 -0.44 0.00 0.00 62.40 61.80 1xko h SER 87 CO 0.00 1.27 0.16 0.00 -0.53 0.00 0.00 176.83 177.73 1xko h ALA 88 N 0.70 0.39 -0.07 6.23 0.00 -0.99 -0.40 119.26 125.12 1xko h ALA 88 Ca -0.06 -0.08 0.03 0.00 0.00 0.00 0.00 54.91 54.79 1xko h ALA 88 Cb 1.46 -0.12 -0.04 0.00 0.00 0.00 0.00 17.79 19.10 1xko h ALA 88 CO 0.16 -0.07 -0.13 0.82 0.00 0.00 0.00 179.25 180.03 1xko h ILE 89 N 0.36 0.66 -0.80 0.00 2.04 -1.42 -1.48 117.51 116.87 1xko h ILE 89 Ca 0.10 0.00 0.05 0.00 1.00 0.00 0.00 64.86 66.01 1xko h ILE 89 Cb 0.09 0.66 -0.05 0.00 -0.74 0.00 0.00 36.82 36.78 1xko h ILE 89 CO -0.02 0.00 0.49 1.23 0.00 0.00 0.00 178.15 179.86 1xko h GLY 90 N -0.18 1.18 1.64 5.37 0.00 -1.17 -1.96 103.07 107.95 1xko h GLY 90 Ca 0.07 -0.36 -0.01 0.00 0.00 0.00 0.00 47.33 47.03 1xko h GLY 90 CO -0.18 0.27 0.15 -2.09 0.00 0.00 0.00 176.54 174.69 1xko h GLU 91 N 0.93 0.47 -0.57 4.80 4.57 -0.47 -0.58 114.58 123.72 1xko h GLU 91 Ca 0.34 -0.05 -0.00 0.00 -1.18 0.00 0.00 59.36 58.46 1xko h GLU 91 Cb 0.11 -0.09 -0.03 0.00 -0.16 0.00 0.00 28.75 28.58 1xko h GLU 91 CO -0.15 0.38 0.33 1.25 -1.18 0.00 0.00 179.01 179.64 1xko h LEU 92 N 0.47 0.69 -0.50 1.64 5.85 -0.49 -0.02 115.31 122.95 1xko h LEU 92 Ca 0.12 -0.07 -0.08 0.00 0.84 0.00 0.00 57.88 58.70 1xko h LEU 92 Cb 0.07 -0.17 -0.02 0.00 0.37 0.00 0.00 40.66 40.91 1xko h LEU 92 CO -0.02 0.55 0.01 1.23 -0.34 0.00 0.00 178.44 179.88 1xko h GLY 93 N 0.76 0.93 0.89 3.75 0.00 -1.22 -1.95 103.07 106.24 1xko h GLY 93 Ca 0.20 -0.68 0.02 0.00 0.00 0.00 0.00 47.33 46.88 1xko h GLY 93 CO -0.04 0.62 0.30 -0.57 0.00 0.00 0.00 176.54 176.86 1xko h ASN 94 N 0.73 0.50 0.44 0.19 -1.24 -0.56 0.42 115.58 116.06 1xko h ASN 94 Ca 0.14 0.00 -0.02 0.00 0.71 0.00 0.00 56.30 57.14 1xko h ASN 94 Cb 0.49 -0.10 -0.00 0.00 0.73 0.00 0.00 38.32 39.44 1xko h ASN 94 CO 0.02 0.35 -0.25 0.24 -1.29 0.00 0.00 177.43 176.51 1xko h MET 95 N 0.61 -0.62 -0.50 6.67 2.86 -0.83 0.61 114.93 123.73 1xko h MET 95 Ca 0.20 0.04 0.09 0.00 -2.06 0.00 0.00 59.70 57.97 1xko h MET 95 Cb 0.01 0.14 -0.07 0.00 0.06 0.00 0.00 31.60 31.74 1xko h MET 95 CO -0.09 -0.42 0.09 1.15 1.06 0.00 0.00 176.91 178.70 1xko h THR 96 N -0.65 0.70 -0.27 2.22 2.02 -1.15 0.30 112.91 116.09 1xko h THR 96 Ca -0.05 -0.07 -0.07 0.00 0.77 0.00 0.00 66.41 66.98 1xko h THR 96 Cb 0.52 0.47 -0.02 0.00 -1.74 0.00 0.00 68.15 67.38 1xko h THR 96 CO 0.07 0.04 -0.14 0.00 0.37 0.00 0.00 175.52 175.86 1xko h ALA 97 N 1.40 1.27 -0.43 6.16 0.00 -0.71 -0.92 119.26 126.02 1xko h ALA 97 Ca 0.25 -0.27 -0.07 0.00 0.00 0.00 0.00 54.91 54.82 1xko h ALA 97 Cb 0.34 -0.13 -0.02 0.00 0.00 0.00 0.00 17.79 17.99 1xko h ALA 97 CO -0.34 0.48 -0.00 0.78 0.00 0.00 0.00 179.25 180.17 1xko h GLY 98 N 0.92 0.83 0.97 0.00 0.00 0.23 -1.59 103.07 104.42 1xko h GLY 98 Ca 0.08 -0.61 -0.09 0.00 0.00 0.00 0.00 47.33 46.71 1xko h GLY 98 CO 0.03 0.56 -0.13 0.50 0.00 0.00 0.00 176.54 177.50 1xko h LYS 99 N 0.61 0.75 -0.17 4.80 1.57 -0.26 -2.38 116.57 121.49 1xko h LYS 99 Ca 0.12 -0.30 0.04 0.00 -1.87 0.00 0.00 60.65 58.64 1xko h LYS 99 Cb 0.49 -0.03 -0.04 0.00 0.08 0.00 0.00 32.23 32.73 1xko h LYS 99 CO 0.02 0.91 -0.07 1.25 -0.57 0.00 0.00 179.45 180.99 1xko h LEU 100 N 0.54 -0.24 -0.51 2.94 5.85 -1.03 0.76 115.31 123.61 1xko h LEU 100 Ca 0.09 0.06 0.05 0.00 0.84 0.00 0.00 57.88 58.92 1xko h LEU 100 Cb 0.66 0.14 -0.04 0.00 0.37 0.00 0.00 40.66 41.79 1xko h LEU 100 CO 0.04 -0.10 0.26 0.00 -0.34 0.00 0.00 178.44 178.31 1xko h ALA 101 N 1.11 0.65 0.08 1.25 0.00 -1.28 0.19 119.26 121.26 1xko h ALA 101 Ca 0.09 0.02 0.02 0.00 0.00 0.00 0.00 54.91 55.04 1xko h ALA 101 Cb 0.18 -0.07 -0.03 0.00 0.00 0.00 0.00 17.79 17.88 1xko h ALA 101 CO -0.20 -0.09 -0.21 1.98 0.00 0.00 0.00 179.25 180.73 1xko h MET 102 N 0.50 -0.36 -0.51 0.00 1.85 -0.83 0.24 114.93 115.82 1xko h MET 102 Ca 0.23 0.02 -0.04 0.00 -0.61 0.00 0.00 59.70 59.30 1xko h MET 102 Cb 0.14 0.08 -0.02 0.00 0.43 0.00 0.00 31.60 32.23 1xko h MET 102 CO -0.16 -0.24 0.17 0.87 -0.40 0.00 0.00 176.91 177.15 1xko h LYS 103 N -0.38 0.78 -0.77 0.39 1.57 -0.54 -3.09 116.57 114.54 1xko h LYS 103 Ca 0.03 -0.16 0.02 0.00 -1.87 0.00 0.00 60.65 58.67 1xko h LYS 103 Cb 0.41 -0.12 -0.04 0.00 0.08 0.00 0.00 32.23 32.56 1xko h LYS 103 CO -0.13 0.72 0.51 -0.07 -0.57 0.00 0.00 179.45 179.91 1xko h LEU 104 N 0.69 0.86 -1.47 2.94 3.38 -0.06 -2.84 115.31 118.81 1xko h LEU 104 Ca 0.17 -0.02 0.00 0.00 0.09 0.00 0.00 57.88 58.12 1xko h LEU 104 Cb 0.26 -0.21 0.00 0.00 0.09 0.00 0.00 40.66 40.80 1xko h LEU 104 CO -0.01 0.61 0.00 -1.84 0.09 0.00 0.00 178.44 177.29 1xko n GLU 105 N -4.43 0.71 0.00 1.13 -0.00 0.02 -1.77 120.64 116.29 1xko n GLU 105 Ca 0.09 0.00 0.00 0.00 -0.00 0.00 0.00 57.16 57.25 1xko n GLU 105 Cb 0.07 -1.26 0.00 0.00 -0.00 0.00 0.00 31.44 30.25 1xko n GLU 105 CO 0.00 0.00 0.00 0.72 0.00 0.00 0.00 177.13 177.85 1xko n HIS 106 N 0.38 0.00 1.29 -1.84 8.25 -1.07 -4.55 115.22 117.67 1xko n HIS 106 Ca 0.00 0.00 0.09 0.00 -0.26 0.00 0.00 57.72 57.55 1xko n HIS 106 Cb 0.26 0.00 0.33 0.00 1.12 0.00 0.00 29.99 31.70 1xko n HIS 106 CO 0.00 0.00 0.00 1.28 0.64 0.00 0.00 176.34 178.26 1xko n LEU 107 N -1.78 1.42 0.00 2.41 4.32 -0.73 -4.89 117.00 117.75 1xko n LEU 107 Ca 0.00 -0.63 0.00 0.00 -0.02 0.00 0.00 56.01 55.36 1xko n LEU 107 Cb 0.35 -0.12 0.00 0.00 -1.62 0.00 0.00 43.42 42.04 1xko n LEU 107 CO 0.00 0.31 0.00 0.61 -1.22 0.00 0.00 177.39 177.09 1xko n GLY 108 N 1.04 3.30 3.59 -0.72 0.00 -1.22 -5.05 105.19 106.14 1xko n GLY 108 Ca 0.14 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.73 1xko n GLY 108 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1xko s LYS 109 N -0.81 3.75 -0.24 1.61 -0.14 -1.04 -4.96 119.74 117.91 1xko s LYS 109 Ca 0.00 0.47 -0.10 0.00 -1.36 0.00 0.00 55.97 54.98 1xko s LYS 109 Cb 0.00 -3.85 -0.05 0.00 -1.68 0.00 0.00 37.83 32.26 1xko s LYS 109 CO 0.00 -1.07 0.14 -1.01 -0.76 0.00 0.00 175.35 172.65 1xko s HIS 110 N 3.65 3.25 0.12 3.18 3.76 -1.26 -1.93 115.29 126.06 1xko s HIS 110 Ca 0.39 0.08 0.05 0.00 -0.15 0.00 0.00 55.06 55.44 1xko s HIS 110 Cb -0.11 -2.26 -0.04 0.00 1.11 0.00 0.00 32.58 31.29 1xko s HIS 110 CO 0.22 -0.03 -0.13 0.14 -0.85 0.00 0.00 174.74 174.09 1xko s VAL 111 N 1.17 1.26 -0.05 -0.90 -7.23 -1.26 0.14 120.40 113.52 1xko s VAL 111 Ca 0.06 -1.69 0.00 0.00 -1.81 0.00 0.00 61.98 58.55 1xko s VAL 111 Cb -0.14 -1.49 -0.03 0.00 0.56 0.00 0.00 36.38 35.28 1xko s VAL 111 CO 0.05 -0.44 -0.04 -1.81 -0.31 0.00 0.00 175.10 172.56 1xko s ASP 112 N -2.43 4.89 -0.22 4.85 1.01 -1.01 -4.95 116.67 118.80 1xko s ASP 112 Ca 0.08 0.01 -0.05 0.00 0.71 0.00 0.00 52.55 53.30 1xko s ASP 112 Cb -0.05 -1.27 -0.02 0.00 1.01 0.00 0.00 42.92 42.60 1xko s ASP 112 CO 0.02 0.34 -0.01 -0.63 0.21 0.00 0.00 175.17 175.11 1xko s ILE 113 N -0.90 3.69 0.47 0.77 1.09 -1.26 -1.98 121.20 123.08 1xko s ILE 113 Ca 0.14 -0.39 -0.21 0.00 -1.10 0.00 0.00 60.65 59.10 1xko s ILE 113 Cb -0.11 -2.69 -0.08 0.00 -1.06 0.00 0.00 42.46 38.52 1xko s ILE 113 CO 0.04 0.40 1.04 0.28 -0.10 0.00 0.00 174.94 176.61 1xko s THR 114 N 1.43 3.75 0.58 2.92 -1.32 -0.15 -4.99 115.64 117.86 1xko s THR 114 Ca 0.05 1.14 -0.20 0.00 -1.21 0.00 0.00 61.69 61.47 1xko s THR 114 Cb -0.14 -3.48 -0.04 0.00 -1.51 0.00 0.00 72.50 67.32 1xko s THR 114 CO -0.01 -0.19 1.24 -2.84 -2.21 0.00 0.00 174.62 170.61 1xko s PRO 115 N -3.10 3.01 0.66 7.08 0.02 -1.26 -4.35 135.00 137.07 1xko s PRO 115 Ca 0.66 1.93 -0.16 0.00 0.02 0.00 0.00 61.00 63.45 1xko s PRO 115 Cb -0.18 -2.02 0.00 0.00 0.02 0.00 0.00 34.50 32.33 1xko s PRO 115 CO 0.21 -1.20 1.16 -1.25 -0.33 0.00 0.00 177.00 175.59 1xko s PRO 116 N -3.20 2.66 -0.11 5.54 0.04 -1.26 -4.72 135.00 133.95 1xko s PRO 116 Ca 0.76 1.59 -0.01 0.00 0.04 0.00 0.00 61.00 63.38 1xko s PRO 116 Cb -0.33 -1.92 0.03 0.00 0.04 0.00 0.00 34.50 32.33 1xko s PRO 116 CO 0.37 -1.39 -0.02 -0.08 0.04 0.00 0.00 177.00 175.92 1xko s THR 117 N -2.06 0.63 -0.09 1.26 -1.32 -0.79 -4.98 115.64 108.29 1xko s THR 117 Ca 0.71 -0.18 -0.16 0.00 -1.21 0.00 0.00 61.69 60.85 1xko s THR 117 Cb -0.25 -0.83 -0.05 0.00 -1.51 0.00 0.00 72.50 69.87 1xko s THR 117 CO 0.40 0.18 0.40 -0.69 -2.21 0.00 0.00 174.62 172.70 1xko s VAL 118 N 1.85 5.18 -0.13 5.08 1.01 -1.26 -1.21 120.40 130.92 1xko s VAL 118 Ca 0.03 0.79 0.00 0.00 0.00 0.00 0.00 61.98 62.81 1xko s VAL 118 Cb -0.14 -3.73 0.02 0.00 0.00 0.00 0.00 36.38 32.54 1xko s VAL 118 CO -0.07 0.42 -0.11 -0.69 0.00 0.00 0.00 175.10 174.65 1xko s VAL 119 N 0.04 1.33 -0.09 2.92 1.01 0.11 -5.00 120.40 120.72 1xko s VAL 119 Ca 0.22 -0.49 0.00 0.00 0.00 0.00 0.00 61.98 61.72 1xko s VAL 119 Cb -0.15 -1.28 -0.03 0.00 0.00 0.00 0.00 36.38 34.92 1xko s VAL 119 CO 0.09 0.42 -0.07 -0.94 0.00 0.00 0.00 175.10 174.60 1xko s SER 120 N 1.52 4.57 -0.07 3.32 1.04 -1.26 -1.21 113.70 121.60 1xko s SER 120 Ca 0.04 -0.08 -0.28 0.00 0.48 0.00 0.00 55.95 56.10 1xko s SER 120 Cb -0.13 -1.30 0.09 0.00 0.10 0.00 0.00 66.02 64.78 1xko s SER 120 CO -0.09 0.31 1.25 0.61 0.98 0.00 0.00 173.24 176.30 1xko n GLY 121 N 2.60 0.13 0.00 7.32 0.00 -0.33 -5.02 105.19 109.89 1xko n GLY 121 Ca -0.18 -1.00 0.00 0.00 0.00 0.00 0.00 46.02 44.84 1xko n GLY 121 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1xko n ARG 122 N -0.91 0.00 -1.39 1.61 1.74 -1.26 -4.41 116.66 112.04 1xko n ARG 122 Ca 0.06 0.00 -0.38 0.00 -0.77 0.00 0.00 57.85 56.76 1xko n ARG 122 Cb 0.54 0.00 -0.03 0.00 -1.02 0.00 0.00 32.46 31.94 1xko n ARG 122 CO 0.00 0.00 0.00 -3.47 -1.52 0.00 0.00 177.63 172.64 1xko n ASP 123 N 0.00 8.54 -4.72 0.55 4.64 -1.26 -4.76 116.55 119.54 1xko n ASP 123 Ca 0.00 -2.64 -0.42 0.00 -1.38 0.00 0.00 54.79 50.35 1xko n ASP 123 Cb 0.00 -1.53 -0.03 0.00 -1.04 0.00 0.00 41.12 38.52 1xko n ASP 123 CO 0.00 0.00 0.00 -0.76 -0.82 0.00 0.00 177.20 175.62 1xko s LEU 124 N -0.15 4.37 0.07 -2.67 1.43 -1.26 -5.03 118.68 115.44 1xko s LEU 124 Ca 0.68 2.63 0.06 0.00 -1.03 0.00 0.00 54.13 56.46 1xko s LEU 124 Cb 0.19 -3.60 -0.03 0.00 0.03 0.00 0.00 46.19 42.78 1xko s LEU 124 CO -0.06 -0.80 -0.15 -0.54 0.23 0.00 0.00 176.35 175.02 1xko s LYS 125 N 0.86 0.89 -0.03 1.70 1.02 -1.26 -4.57 119.74 118.34 1xko s LYS 125 Ca 0.68 -0.97 -0.01 0.00 0.02 0.00 0.00 55.97 55.69 1xko s LYS 125 Cb -0.43 -0.94 0.03 0.00 -0.52 0.00 0.00 37.83 35.97 1xko s LYS 125 CO 0.34 0.21 0.06 -1.50 -0.92 0.00 0.00 175.35 173.54 1xko s ILE 126 N -1.20 -0.08 -0.37 2.17 2.07 -1.26 -5.09 121.20 117.44 1xko s ILE 126 Ca -0.00 0.26 -0.15 0.00 -1.41 0.00 0.00 60.65 59.35 1xko s ILE 126 Cb -0.10 -0.13 0.00 0.00 0.13 0.00 0.00 42.46 42.36 1xko s ILE 126 CO 0.02 0.11 0.31 -0.75 -1.91 0.00 0.00 174.94 172.73 1xko s LYS 127 N 1.36 3.29 0.03 3.50 2.47 -1.26 -4.32 119.74 124.81 1xko s LYS 127 Ca -0.06 -0.73 0.06 0.00 -1.56 0.00 0.00 55.97 53.68 1xko s LYS 127 Cb -0.13 -3.88 -0.03 0.00 -1.46 0.00 0.00 37.83 32.33 1xko s LYS 127 CO -0.04 -0.62 -0.15 -1.12 0.16 0.00 0.00 175.35 173.59 1xko s SER 128 N 1.72 4.05 0.22 1.43 0.01 -1.26 -5.13 113.70 114.75 1xko s SER 128 Ca 0.08 -0.34 0.04 0.00 1.31 0.00 0.00 55.95 57.04 1xko s SER 128 Cb -0.18 -0.75 -0.03 0.00 0.21 0.00 0.00 66.02 65.27 1xko s SER 128 CO 0.11 0.26 0.35 -0.36 0.41 0.00 0.00 173.24 174.01 1xko s PHE 129 N -0.95 3.46 0.00 2.43 0.40 -1.26 -4.99 117.98 117.07 1xko s PHE 129 Ca 0.15 0.04 0.00 0.00 -0.60 0.00 0.00 56.93 56.52 1xko s PHE 129 Cb -0.11 -1.62 0.00 0.00 0.51 0.00 0.00 43.02 41.81 1xko s PHE 129 CO 0.06 0.45 0.00 0.41 0.70 0.00 0.00 175.22 176.84 1xko n GLY 130 N -1.18 -2.22 3.67 4.36 0.00 -1.26 -4.07 105.19 104.49 1xko n GLY 130 Ca -0.08 -1.50 -0.42 0.00 0.00 0.00 0.00 46.02 44.01 1xko n GLY 130 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1xko s VAL 131 N -0.65 3.62 -0.22 1.61 0.11 -0.33 -4.65 120.40 119.89 1xko s VAL 131 Ca 0.00 0.90 -0.13 0.00 -2.93 0.00 0.00 61.98 59.82 1xko s VAL 131 Cb 0.00 -3.58 -0.05 0.00 -1.53 0.00 0.00 36.38 31.23 1xko s VAL 131 CO 0.00 -0.04 0.25 -0.63 -3.33 0.00 0.00 175.10 171.35 1xko s ILE 132 N 3.20 5.30 -0.10 7.04 1.01 -1.26 -0.70 121.20 135.69 1xko s ILE 132 Ca 0.68 0.39 0.00 0.00 0.00 0.00 0.00 60.65 61.72 1xko s ILE 132 Cb -0.32 -3.59 -0.02 0.00 0.01 0.00 0.00 42.46 38.54 1xko s ILE 132 CO 0.27 0.32 -0.10 -0.22 0.00 0.00 0.00 174.94 175.21 1xko s LEU 133 N 1.08 2.93 -0.06 2.97 2.96 -0.55 -1.44 118.68 126.57 1xko s LEU 133 Ca 0.12 -0.18 0.02 0.00 -0.22 0.00 0.00 54.13 53.87 1xko s LEU 133 Cb -0.14 -1.65 -0.03 0.00 0.50 0.00 0.00 46.19 44.88 1xko s LEU 133 CO 0.05 0.26 -0.11 -0.75 -1.32 0.00 0.00 176.35 174.48 1xko s LYS 134 N -0.19 2.68 -0.30 1.98 2.20 0.57 -0.48 119.74 126.20 1xko s LYS 134 Ca 0.01 -0.63 -0.01 0.00 -0.36 0.00 0.00 55.97 54.98 1xko s LYS 134 Cb -0.13 -2.49 0.10 0.00 -1.51 0.00 0.00 37.83 33.79 1xko s LYS 134 CO 0.03 0.61 0.10 -1.17 -0.36 0.00 0.00 175.35 174.55 1xko s LEU 135 N -0.67 2.05 0.17 5.43 2.96 0.11 -2.18 118.68 126.54 1xko s LEU 135 Ca 0.10 -1.58 -0.30 0.00 -0.22 0.00 0.00 54.13 52.13 1xko s LEU 135 Cb -0.11 -0.81 -0.08 0.00 0.50 0.00 0.00 46.19 45.69 1xko s LEU 135 CO 0.01 -0.41 1.30 -2.16 -1.32 0.00 0.00 176.35 173.77 1xko s PRO 136 N 1.67 4.39 -0.00 0.98 0.04 -1.26 -2.50 135.00 138.31 1xko s PRO 136 Ca 0.09 2.01 0.05 0.00 0.04 0.00 0.00 61.00 63.20 1xko s PRO 136 Cb -0.17 -3.22 -0.01 0.00 0.04 0.00 0.00 34.50 31.13 1xko s PRO 136 CO -0.26 -0.27 -0.16 0.42 0.04 0.00 0.00 177.00 176.77 1xko s ILE 137 N 0.39 1.24 -0.27 0.56 1.01 -0.31 0.77 121.20 124.59 1xko s ILE 137 Ca 0.58 -0.75 0.00 0.00 0.00 0.00 0.00 60.65 60.49 1xko s ILE 137 Cb -0.36 -1.05 0.05 0.00 0.01 0.00 0.00 42.46 41.12 1xko s ILE 137 CO 0.35 0.29 -0.06 -0.44 0.00 0.00 0.00 174.94 175.08 1xko s SER 138 N -0.53 4.57 0.00 3.58 0.01 -0.99 -1.73 113.70 118.62 1xko s SER 138 Ca 0.05 -1.27 0.00 0.00 1.31 0.00 0.00 55.95 56.05 1xko s SER 138 Cb -0.06 -1.63 0.00 0.00 0.21 0.00 0.00 66.02 64.54 1xko s SER 138 CO -0.00 -0.21 0.00 0.52 0.41 0.00 0.00 173.24 173.96 1xko n VAL 139 N 4.54 0.00 -0.08 3.43 0.31 -1.26 -0.84 118.33 124.43 1xko n VAL 139 Ca -0.14 0.34 -0.22 0.00 -0.01 0.00 0.00 64.34 64.30 1xko n VAL 139 Cb 0.43 -1.33 -0.12 0.00 -0.91 0.00 0.00 33.84 31.91 1xko n VAL 139 CO 0.00 0.00 0.00 0.49 -1.32 0.00 0.00 176.83 176.00 1xko n PHE 140 N -2.16 0.61 -4.42 3.52 3.01 -1.26 -4.84 117.46 111.93 1xko n PHE 140 Ca 0.00 0.18 -0.21 0.00 1.01 0.00 0.00 57.45 58.43 1xko n PHE 140 Cb 0.00 -1.07 -0.10 0.00 -0.01 0.00 0.00 39.48 38.30 1xko n PHE 140 CO 0.00 0.00 0.00 0.45 1.01 0.00 0.00 176.76 178.22 1xko s SER 141 N -6.96 3.02 0.04 4.37 0.15 -1.26 -5.09 113.70 107.97 1xko s SER 141 Ca -0.31 -1.07 -0.34 0.00 0.70 0.00 0.00 55.95 54.93 1xko s SER 141 Cb 0.09 -0.21 -0.13 0.00 -1.71 0.00 0.00 66.02 64.06 1xko s SER 141 CO 0.63 -0.15 1.71 1.21 1.20 0.00 0.00 173.24 177.84 1xko n GLU 142 N -0.53 2.12 -4.15 5.44 4.07 -1.26 -2.89 120.64 123.44 1xko n GLU 142 Ca -0.06 0.77 -0.38 0.00 -0.06 0.00 0.00 57.16 57.42 1xko n GLU 142 Cb 0.61 -2.57 -0.03 0.00 -0.06 0.00 0.00 31.44 29.39 1xko n GLU 142 CO 0.00 0.00 0.00 0.39 -0.06 0.00 0.00 177.13 177.46 1xko n GLU 143 N 4.84 -0.79 -0.01 5.31 1.02 -1.25 -4.85 120.64 124.91 1xko n GLU 143 Ca 0.20 0.12 0.13 0.00 -0.02 0.00 0.00 57.16 57.58 1xko n GLU 143 Cb 0.29 -3.16 0.23 0.00 -0.02 0.00 0.00 31.44 28.78 1xko n GLU 143 CO 0.00 0.00 0.00 -0.40 1.18 0.00 0.00 177.13 177.91 1xko n ASP 144 N -2.53 2.55 -3.89 1.62 3.85 -1.04 -4.88 116.55 112.22 1xko n ASP 144 Ca -0.21 -1.85 -0.26 0.00 -0.71 0.00 0.00 54.79 51.76 1xko n ASP 144 Cb 0.63 -0.01 -0.17 0.00 -1.35 0.00 0.00 41.12 40.22 1xko n ASP 144 CO 0.00 0.00 0.00 0.12 -1.01 0.00 0.00 177.20 176.31 1xko s PHE 145 N -1.98 1.41 -0.22 2.11 2.19 -0.70 -4.56 117.98 116.23 1xko s PHE 145 Ca 0.31 -0.70 -0.09 0.00 0.33 0.00 0.00 56.93 56.79 1xko s PHE 145 Cb 0.20 -1.20 -0.04 0.00 -1.31 0.00 0.00 43.02 40.67 1xko s PHE 145 CO 0.31 -0.50 0.10 -0.51 1.83 0.00 0.00 175.22 176.45 1xko s ASP 146 N 1.73 5.75 -0.14 6.13 -0.00 -0.40 -1.17 116.67 128.58 1xko s ASP 146 Ca 0.05 0.05 0.01 0.00 -0.00 0.00 0.00 52.55 52.65 1xko s ASP 146 Cb -0.13 -2.02 0.02 0.00 -0.00 0.00 0.00 42.92 40.80 1xko s ASP 146 CO -0.08 0.09 -0.15 -0.22 -0.00 0.00 0.00 175.17 174.82 1xko s LEU 147 N 0.86 1.71 -0.04 1.23 0.20 -1.04 -0.74 118.68 120.86 1xko s LEU 147 Ca 0.05 -0.48 0.07 0.00 0.69 0.00 0.00 54.13 54.46 1xko s LEU 147 Cb -0.13 -1.17 -0.02 0.00 -0.43 0.00 0.00 46.19 44.44 1xko s LEU 147 CO 0.03 -0.03 -0.24 -1.00 -0.29 0.00 0.00 176.35 174.81 1xko s HIS 148 N 1.35 2.41 -0.26 5.38 3.76 0.35 0.06 115.29 128.34 1xko s HIS 148 Ca 0.02 -0.51 0.01 0.00 -0.15 0.00 0.00 55.06 54.43 1xko s HIS 148 Cb -0.13 -1.55 0.05 0.00 1.11 0.00 0.00 32.58 32.05 1xko s HIS 148 CO -0.08 -0.08 -0.09 -1.17 -0.85 0.00 0.00 174.74 172.47 1xko s LEU 149 N -0.46 3.35 -0.21 0.89 2.96 0.37 0.31 118.68 125.89 1xko s LEU 149 Ca 0.05 -1.19 -0.23 0.00 -0.22 0.00 0.00 54.13 52.55 1xko s LEU 149 Cb -0.11 -1.60 -0.02 0.00 0.50 0.00 0.00 46.19 44.96 1xko s LEU 149 CO 0.01 -0.17 0.73 -0.44 -1.32 0.00 0.00 176.35 175.15 1xko s SER 150 N 1.20 6.77 -0.49 3.68 0.01 0.35 -1.48 113.70 123.74 1xko s SER 150 Ca -0.05 0.95 0.04 0.00 1.31 0.00 0.00 55.95 58.20 1xko s SER 150 Cb -0.19 -2.39 0.13 0.00 0.21 0.00 0.00 66.02 63.78 1xko s SER 150 CO -0.05 -0.38 0.23 -0.69 0.41 0.00 0.00 173.24 172.76 1xko s VAL 151 N 2.30 2.41 0.13 3.43 1.01 0.12 -1.31 120.40 128.48 1xko s VAL 151 Ca 0.32 -3.10 -0.13 0.00 0.00 0.00 0.00 61.98 59.07 1xko s VAL 151 Cb -0.16 -2.69 -0.03 0.00 0.00 0.00 0.00 36.38 33.51 1xko s VAL 151 CO 0.10 -0.78 1.52 0.50 0.00 0.00 0.00 175.10 176.44 1xko h LYS 152 N 6.68 0.81 -3.04 2.72 1.63 0.15 -0.87 116.57 124.66 1xko h LYS 152 Ca -0.07 -0.33 0.03 0.00 -0.85 0.00 0.00 60.65 59.43 1xko h LYS 152 Cb 0.91 -0.04 -0.08 0.00 -0.60 0.00 0.00 32.23 32.43 1xko h LYS 152 CO 0.64 0.95 0.20 -1.54 -3.45 0.00 0.00 179.45 176.26 1xko s SER 153 N -6.47 -0.35 0.00 4.20 1.04 -0.95 -1.66 113.70 109.52 1xko s SER 153 Ca -0.12 -0.43 0.00 0.00 0.48 0.00 0.00 55.95 55.88 1xko s SER 153 Cb 0.10 0.68 0.00 0.00 0.10 0.00 0.00 66.02 66.90 1xko s SER 153 CO 0.83 -1.21 0.00 0.61 0.98 0.00 0.00 173.24 174.45 1xko n GLY 154 N -0.42 0.81 0.85 7.32 0.00 -1.26 -0.06 105.19 112.41 1xko n GLY 154 Ca -0.08 0.00 0.11 0.00 0.00 0.00 0.00 46.02 46.04 1xko n GLY 154 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93