#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1ysd n GLY 4 N 0.00 -3.27 5.94 3.38 0.00 -1.26 -4.80 105.19 105.19 1ysd n GLY 4 Ca 0.00 -0.88 0.00 0.00 0.00 0.00 0.00 46.02 45.14 1ysd n GLY 4 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1ysd n GLY 5 N -0.05 2.22 3.76 -0.02 0.00 -1.26 -4.85 105.19 105.00 1ysd n GLY 5 Ca 0.00 0.03 -0.40 0.00 0.00 0.00 0.00 46.02 45.65 1ysd n GLY 5 CO 0.00 0.00 0.00 -0.29 0.00 0.00 0.00 173.32 173.03 1ysd s MET 6 N 0.00 4.56 0.71 1.61 1.75 -1.26 -5.01 119.30 121.67 1ysd s MET 6 Ca 0.00 1.73 -0.15 0.00 -1.25 0.00 0.00 55.69 56.02 1ysd s MET 6 Cb 0.00 -3.07 0.03 0.00 2.84 0.00 0.00 34.83 34.63 1ysd s MET 6 CO 0.00 0.16 1.16 0.00 -0.65 0.00 0.00 175.02 175.70 1ysd s ALA 7 N -1.26 2.22 0.48 4.11 0.00 -1.26 -4.82 121.76 121.23 1ysd s ALA 7 Ca 0.47 0.71 -0.20 0.00 0.00 0.00 0.00 51.96 52.94 1ysd s ALA 7 Cb -0.30 -3.40 -0.09 0.00 0.00 0.00 0.00 23.12 19.33 1ysd s ALA 7 CO 0.38 -1.69 1.00 0.45 0.00 0.00 0.00 175.76 175.90 1ysd s SER 8 N -2.33 6.55 0.37 0.00 0.15 -1.26 -4.91 113.70 112.26 1ysd s SER 8 Ca 0.71 1.79 0.26 0.00 0.70 0.00 0.00 55.95 59.41 1ysd s SER 8 Cb -0.25 -2.54 1.31 0.00 -1.71 0.00 0.00 66.02 62.82 1ysd s SER 8 CO 0.45 -0.64 1.79 0.07 1.20 0.00 0.00 173.24 176.11 1ysd h LYS 9 N 1.52 0.00 -0.14 5.44 2.10 -1.96 -2.19 116.57 121.35 1ysd h LYS 9 Ca -0.49 0.00 0.00 0.00 -2.00 0.00 0.00 60.65 58.16 1ysd h LYS 9 Cb 1.20 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 32.53 1ysd h LYS 9 CO 0.60 0.00 0.00 0.91 -2.00 0.00 0.00 179.45 178.96 1ysd n TRP 10 N -2.41 0.17 -0.30 0.07 7.02 -1.26 -4.63 117.44 116.10 1ysd n TRP 10 Ca -0.01 -0.11 -0.02 0.00 -1.02 0.00 0.00 57.50 56.34 1ysd n TRP 10 Cb 0.10 -0.00 0.14 0.00 -2.42 0.00 0.00 31.31 29.13 1ysd n TRP 10 CO 0.00 0.00 0.00 -0.44 -2.02 0.00 0.00 177.69 175.23 1ysd h ASP 11 N 3.67 1.04 -0.26 -0.99 3.32 -1.77 -0.56 116.42 120.88 1ysd h ASP 11 Ca 0.00 -0.07 -0.18 0.00 0.02 0.00 0.00 57.03 56.80 1ysd h ASP 11 Cb 0.81 -0.26 -0.00 0.00 0.22 0.00 0.00 39.33 40.10 1ysd h ASP 11 CO 0.00 0.82 -0.51 -0.61 -1.72 0.00 0.00 179.24 177.21 1ysd h GLN 12 N 1.19 0.84 -0.33 3.56 5.75 -1.82 -2.02 115.11 122.28 1ysd h GLN 12 Ca 0.31 -0.51 0.00 0.00 -0.15 0.00 0.00 58.65 58.30 1ysd h GLN 12 Cb -0.02 0.05 -0.02 0.00 1.07 0.00 0.00 27.48 28.57 1ysd h GLN 12 CO -0.05 1.15 0.21 -0.22 -2.65 0.00 0.00 178.83 177.26 1ysd h LYS 13 N 0.65 0.44 -0.58 1.69 3.64 -1.79 -1.37 116.57 119.26 1ysd h LYS 13 Ca 0.02 -0.03 -0.03 0.00 -1.27 0.00 0.00 60.65 59.35 1ysd h LYS 13 Cb 1.11 -0.10 -0.03 0.00 -0.41 0.00 0.00 32.23 32.80 1ysd h LYS 13 CO 0.11 0.31 0.26 0.78 -2.27 0.00 0.00 179.45 178.64 1ysd h GLY 14 N 0.44 0.91 1.69 5.01 0.00 -1.02 -1.97 103.07 108.13 1ysd h GLY 14 Ca 0.12 -0.47 -0.14 0.00 0.00 0.00 0.00 47.33 46.83 1ysd h GLY 14 CO -0.02 0.45 -0.56 1.98 0.00 0.00 0.00 176.54 178.39 1ysd h MET 15 N 0.79 0.33 -0.45 4.80 1.85 -1.25 -1.66 114.93 119.34 1ysd h MET 15 Ca 0.20 -0.21 -0.10 0.00 -0.61 0.00 0.00 59.70 58.97 1ysd h MET 15 Cb 0.16 0.02 -0.02 0.00 0.43 0.00 0.00 31.60 32.19 1ysd h MET 15 CO -0.02 0.80 -0.14 -0.44 -0.40 0.00 0.00 176.91 176.71 1ysd h ASP 16 N 0.25 0.83 -0.38 1.39 3.32 -1.06 -0.64 116.42 120.14 1ysd h ASP 16 Ca 0.00 -0.27 -0.09 0.00 0.02 0.00 0.00 57.03 56.69 1ysd h ASP 16 Cb 1.05 -0.23 -0.01 0.00 0.22 0.00 0.00 39.33 40.37 1ysd h ASP 16 CO 0.09 0.98 -0.13 0.40 -1.72 0.00 0.00 179.24 178.86 1ysd h ILE 17 N 0.75 1.28 -0.78 0.35 2.04 -1.22 -0.94 117.51 118.99 1ysd h ILE 17 Ca 0.12 -1.24 0.01 0.00 1.00 0.00 0.00 64.86 64.75 1ysd h ILE 17 Cb 0.65 1.29 -0.04 0.00 -0.74 0.00 0.00 36.82 37.98 1ysd h ILE 17 CO 0.05 0.41 0.51 0.00 0.00 0.00 0.00 178.15 179.12 1ysd h ALA 18 N 0.82 0.99 -0.33 1.87 0.00 -1.05 -0.48 119.26 121.08 1ysd h ALA 18 Ca 0.09 -0.05 -0.11 0.00 0.00 0.00 0.00 54.91 54.84 1ysd h ALA 18 Cb 0.67 -0.30 -0.01 0.00 0.00 0.00 0.00 17.79 18.14 1ysd h ALA 18 CO 0.05 0.38 -0.24 -0.92 0.00 0.00 0.00 179.25 178.52 1ysd h TYR 19 N 1.03 0.74 -0.64 0.00 3.20 -0.98 -1.63 116.97 118.69 1ysd h TYR 19 Ca 0.29 -0.17 -0.01 0.00 3.14 0.00 0.00 58.73 61.98 1ysd h TYR 19 Cb -0.09 -0.18 -0.03 0.00 1.54 0.00 0.00 36.73 37.97 1ysd h TYR 19 CO -0.02 0.84 0.35 1.49 -1.64 0.00 0.00 178.16 179.17 1ysd h GLU 20 N 0.58 0.90 -0.66 1.82 4.81 -0.35 -0.61 114.58 121.06 1ysd h GLU 20 Ca 0.08 -0.11 -0.09 0.00 -0.13 0.00 0.00 59.36 59.11 1ysd h GLU 20 Cb 0.71 -0.17 -0.03 0.00 0.63 0.00 0.00 28.75 29.89 1ysd h GLU 20 CO 0.05 0.69 0.07 0.93 -0.73 0.00 0.00 179.01 180.03 1ysd h GLU 21 N 0.88 1.11 -0.58 1.92 4.39 -0.79 -1.21 114.58 120.31 1ysd h GLU 21 Ca 0.23 -0.32 -0.04 0.00 0.34 0.00 0.00 59.36 59.57 1ysd h GLU 21 Cb 0.06 -0.12 -0.03 0.00 -0.10 0.00 0.00 28.75 28.56 1ysd h GLU 21 CO -0.03 1.04 0.22 0.00 -1.16 0.00 0.00 179.01 179.07 1ysd h ALA 22 N 1.03 0.76 -0.71 3.43 0.00 -0.88 -0.47 119.26 122.43 1ysd h ALA 22 Ca 0.20 -0.17 -0.03 0.00 0.00 0.00 0.00 54.91 54.91 1ysd h ALA 22 Cb 0.49 -0.23 -0.03 0.00 0.00 0.00 0.00 17.79 18.02 1ysd h ALA 22 CO 0.02 0.39 0.34 -0.07 0.00 0.00 0.00 179.25 179.93 1ysd h LEU 23 N 0.81 0.93 -0.08 0.00 3.38 -0.87 -0.51 115.31 118.96 1ysd h LEU 23 Ca 0.19 -0.13 -0.00 0.00 0.09 0.00 0.00 57.88 58.03 1ysd h LEU 23 Cb 0.22 -0.24 -0.00 0.00 0.09 0.00 0.00 40.66 40.73 1ysd h LEU 23 CO -0.01 0.80 0.05 0.25 0.09 0.00 0.00 178.44 179.61 1ysd h LEU 24 N 0.99 0.09 -1.10 1.67 6.46 -0.86 -1.51 115.31 121.05 1ysd h LEU 24 Ca 0.24 -0.03 0.04 0.00 -0.12 0.00 0.00 57.88 58.01 1ysd h LEU 24 Cb 0.12 -0.02 -0.06 0.00 -0.73 0.00 0.00 40.66 39.97 1ysd h LEU 24 CO -0.03 0.10 0.61 1.23 -0.62 0.00 0.00 178.44 179.73 1ysd h GLY 25 N 0.08 1.36 1.01 3.75 0.00 -0.77 -1.66 103.07 106.84 1ysd h GLY 25 Ca 0.03 -0.45 -0.04 0.00 0.00 0.00 0.00 47.33 46.87 1ysd h GLY 25 CO -0.01 0.37 0.28 -1.82 0.00 0.00 0.00 176.54 175.37 1ysd h TYR 26 N 1.15 1.03 -0.27 5.60 3.20 -0.66 0.37 116.97 127.38 1ysd h TYR 26 Ca 0.38 -0.07 -0.04 0.00 3.14 0.00 0.00 58.73 62.14 1ysd h TYR 26 Cb 0.07 -0.31 -0.02 0.00 1.54 0.00 0.00 36.73 38.01 1ysd h TYR 26 CO -0.00 0.79 -0.02 0.87 -1.64 0.00 0.00 178.16 178.16 1ysd h LYS 27 N 0.96 0.41 0.00 1.82 1.79 -0.42 -1.56 116.57 119.58 1ysd h LYS 27 Ca 0.23 -0.08 0.00 0.00 -2.18 0.00 0.00 60.65 58.62 1ysd h LYS 27 Cb 0.19 -0.06 0.00 0.00 -1.58 0.00 0.00 32.23 30.78 1ysd h LYS 27 CO -0.02 0.45 0.00 0.39 -1.08 0.00 0.00 179.45 179.19 1ysd n GLU 28 N -4.30 0.91 -0.76 3.15 1.02 -0.71 -4.86 120.64 115.08 1ysd n GLU 28 Ca 0.01 0.00 0.00 0.00 -0.02 0.00 0.00 57.16 57.15 1ysd n GLU 28 Cb 0.23 -1.50 0.00 0.00 -0.02 0.00 0.00 31.44 30.15 1ysd n GLU 28 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 1ysd n GLY 29 N 0.90 0.54 1.98 0.62 0.00 -0.59 -4.90 105.19 103.74 1ysd n GLY 29 Ca 0.22 -0.75 -0.13 0.00 0.00 0.00 0.00 46.02 45.36 1ysd n GLY 29 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1ysd n GLY 30 N -2.76 2.66 3.69 -0.02 0.00 0.08 -4.92 105.19 103.91 1ysd n GLY 30 Ca 0.00 -2.22 -0.42 0.00 0.00 0.00 0.00 46.02 43.37 1ysd n GLY 30 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1ysd s VAL 31 N -1.27 3.70 -1.20 1.61 1.01 -1.26 -4.16 120.40 118.83 1ysd s VAL 31 Ca 0.20 1.06 -0.14 0.00 0.00 0.00 0.00 61.98 63.10 1ysd s VAL 31 Cb -0.02 -3.68 -0.06 0.00 0.00 0.00 0.00 36.38 32.62 1ysd s VAL 31 CO 0.13 -0.01 2.27 -0.81 0.00 0.00 0.00 175.10 176.67 1ysd n PRO 32 N 5.54 2.50 -4.01 2.72 -0.04 -1.26 -4.26 135.00 136.19 1ysd n PRO 32 Ca 0.14 -2.09 -0.28 0.00 -0.04 0.00 0.00 63.50 61.23 1ysd n PRO 32 Cb 0.43 -2.93 -0.17 0.00 -0.04 0.00 0.00 33.50 30.80 1ysd n PRO 32 CO 0.00 0.00 0.00 0.42 -0.04 0.00 0.00 175.50 175.88 1ysd s ILE 33 N 3.53 1.20 0.35 0.52 1.01 -1.26 -4.72 121.20 121.83 1ysd s ILE 33 Ca 0.53 -0.41 0.03 0.00 0.00 0.00 0.00 60.65 60.81 1ysd s ILE 33 Cb 0.14 -1.17 -0.05 0.00 0.01 0.00 0.00 42.46 41.39 1ysd s ILE 33 CO -0.02 0.39 0.09 -0.83 0.00 0.00 0.00 174.94 174.57 1ysd s GLY 34 N 1.54 2.22 0.04 6.18 0.00 -1.25 -1.57 107.32 114.47 1ysd s GLY 34 Ca 0.03 -1.74 -0.27 0.00 0.00 0.00 0.00 44.72 42.75 1ysd s GLY 34 CO -0.08 -1.80 1.22 -0.32 0.00 0.00 0.00 173.10 172.12 1ysd s GLY 35 N -3.51 -0.04 0.10 0.20 0.00 -0.33 -1.39 107.32 102.36 1ysd s GLY 35 Ca 0.32 -0.11 -0.25 0.00 0.00 0.00 0.00 44.72 44.68 1ysd s GLY 35 CO 0.15 5.06 0.72 0.00 0.00 0.00 0.00 173.10 179.03 1ysd s LEU 37 N -2.65 2.47 -0.02 0.00 2.96 -0.19 -0.57 118.68 120.68 1ysd s LEU 37 Ca 0.03 -0.49 0.07 0.00 -0.22 0.00 0.00 54.13 53.52 1ysd s LEU 37 Cb -0.01 -1.58 -0.02 0.00 0.50 0.00 0.00 46.19 45.08 1ysd s LEU 37 CO -0.11 0.05 -0.24 -0.63 -1.32 0.00 0.00 176.35 174.10 1ysd s ILE 38 N 1.03 2.28 -0.15 6.68 1.01 -0.57 -0.63 121.20 130.85 1ysd s ILE 38 Ca -0.01 -1.06 -0.29 0.00 0.00 0.00 0.00 60.65 59.29 1ysd s ILE 38 Cb -0.15 -1.82 -0.01 0.00 0.01 0.00 0.00 42.46 40.49 1ysd s ILE 38 CO -0.03 0.56 1.20 0.21 0.00 0.00 0.00 174.94 176.87 1ysd s ASN 39 N -0.71 7.01 0.53 3.58 3.84 -0.19 -1.12 114.94 127.89 1ysd s ASN 39 Ca 0.11 1.65 0.29 0.00 0.21 0.00 0.00 52.86 55.12 1ysd s ASN 39 Cb -0.10 -2.54 1.51 0.00 -0.55 0.00 0.00 41.25 39.56 1ysd s ASN 39 CO -0.00 -0.70 2.08 0.78 -2.79 0.00 0.00 177.10 176.47 1ysd h ASN 40 N 7.87 0.00 0.06 -4.21 2.35 -1.51 0.10 115.58 120.25 1ysd h ASN 40 Ca -0.27 0.00 -0.00 0.00 -0.55 0.00 0.00 56.30 55.48 1ysd h ASN 40 Cb 1.11 0.00 0.00 0.00 0.05 0.00 0.00 38.32 39.48 1ysd h ASN 40 CO 0.95 0.10 -0.03 0.11 -1.65 0.00 0.00 177.43 176.91 1ysd h LYS 41 N 0.00 -0.08 0.00 0.81 1.57 -1.91 -3.39 116.57 113.56 1ysd h LYS 41 Ca -0.00 0.01 0.00 0.00 -1.87 0.00 0.00 60.65 58.78 1ysd h LYS 41 Cb 0.34 0.02 0.00 0.00 0.08 0.00 0.00 32.23 32.67 1ysd h LYS 41 CO 0.01 0.33 0.00 -0.40 -0.57 0.00 0.00 179.45 178.82 1ysd n ASP 42 N -4.93 0.75 0.00 0.86 5.68 -1.22 -5.01 116.55 112.67 1ysd n ASP 42 Ca -0.08 -0.93 0.00 0.00 -0.50 0.00 0.00 54.79 53.27 1ysd n ASP 42 Cb 0.23 0.10 0.00 0.00 -1.14 0.00 0.00 41.12 40.31 1ysd n ASP 42 CO 0.00 0.00 0.00 0.61 -1.33 0.00 0.00 177.20 176.48 1ysd n GLY 43 N 0.10 0.55 3.77 6.12 0.00 0.36 -5.01 105.19 111.07 1ysd n GLY 43 Ca 0.00 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.62 1ysd n GLY 43 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 1ysd s SER 44 N -2.07 6.65 -0.48 1.61 1.04 -1.25 -4.68 113.70 114.51 1ysd s SER 44 Ca 0.00 2.60 -0.24 0.00 0.48 0.00 0.00 55.95 58.79 1ysd s SER 44 Cb 0.00 -2.64 0.03 0.00 0.10 0.00 0.00 66.02 63.51 1ysd s SER 44 CO 0.00 -0.61 0.84 -0.69 0.98 0.00 0.00 173.24 173.76 1ysd s VAL 45 N -1.21 4.56 0.12 5.02 1.01 -1.26 -1.02 120.40 127.61 1ysd s VAL 45 Ca 0.52 0.37 0.15 0.00 0.00 0.00 0.00 61.98 63.02 1ysd s VAL 45 Cb -0.37 -4.40 0.05 0.00 0.00 0.00 0.00 36.38 31.65 1ysd s VAL 45 CO 0.49 -0.86 1.60 -0.07 0.00 0.00 0.00 175.10 176.26 1ysd h LEU 46 N 10.42 0.00 -7.01 3.92 3.38 -1.24 -3.48 115.31 121.31 1ysd h LEU 46 Ca -0.25 0.00 0.34 0.00 0.09 0.00 0.00 57.88 58.06 1ysd h LEU 46 Cb 1.08 0.00 -0.19 0.00 0.09 0.00 0.00 40.66 41.64 1ysd h LEU 46 CO 1.01 0.52 0.97 -0.83 0.09 0.00 0.00 178.44 180.20 1ysd s GLY 47 N -4.44 -0.26 -0.04 0.83 0.00 -1.21 -4.34 107.32 97.86 1ysd s GLY 47 Ca 0.01 1.70 -0.21 0.00 0.00 0.00 0.00 44.72 46.22 1ysd s GLY 47 CO 0.73 0.54 0.45 1.09 0.00 0.00 0.00 173.10 175.91 1ysd s ARG 48 N -2.06 0.80 0.04 2.90 1.70 -1.26 -1.02 118.95 120.04 1ysd s ARG 48 Ca 0.12 0.04 -0.27 0.00 -0.47 0.00 0.00 55.73 55.15 1ysd s ARG 48 Cb 0.01 0.37 0.09 0.00 -0.57 0.00 0.00 34.95 34.84 1ysd s ARG 48 CO -0.03 -0.23 1.21 0.20 -1.08 0.00 0.00 175.30 175.38 1ysd s GLY 49 N -1.15 -0.06 0.24 3.88 0.00 -0.65 -4.73 107.32 104.85 1ysd s GLY 49 Ca -0.12 -0.06 -0.03 0.00 0.00 0.00 0.00 44.72 44.51 1ysd s GLY 49 CO 0.06 4.57 0.26 -2.38 0.00 0.00 0.00 173.10 175.60 1ysd s HIS 50 N -2.07 1.05 0.16 1.90 -3.43 -1.26 -1.18 115.29 110.47 1ysd s HIS 50 Ca 0.27 -1.27 -0.34 0.00 -0.80 0.00 0.00 55.06 52.92 1ysd s HIS 50 Cb -0.01 -0.37 -0.14 0.00 -1.43 0.00 0.00 32.58 30.63 1ysd s HIS 50 CO 0.01 -0.79 1.53 -1.71 -2.00 0.00 0.00 174.74 171.78 1ysd n ASN 51 N -0.56 2.91 -0.37 7.38 2.85 -0.61 -4.48 115.26 122.38 1ysd n ASN 51 Ca 0.02 1.09 0.08 0.00 -0.11 0.00 0.00 54.58 55.67 1ysd n ASN 51 Cb 0.64 -1.40 0.18 0.00 1.24 0.00 0.00 39.78 40.43 1ysd n ASN 51 CO 0.00 0.00 0.00 0.23 -2.11 0.00 0.00 177.26 175.38 1ysd n MET 52 N 3.14 1.69 -0.00 1.20 2.81 -0.31 -4.59 117.12 121.06 1ysd n MET 52 Ca 0.16 -2.76 -0.09 0.00 -1.81 0.00 0.00 57.70 53.20 1ysd n MET 52 Cb 0.28 -1.61 -0.03 0.00 -0.71 0.00 0.00 33.22 31.16 1ysd n MET 52 CO 0.00 0.00 0.00 -0.09 1.51 0.00 0.00 175.97 177.39 1ysd h ARG 53 N 0.55 -0.24 0.13 0.03 2.43 -1.72 -1.44 114.38 114.12 1ysd h ARG 53 Ca 0.01 0.02 -0.28 0.00 -0.81 0.00 0.00 59.98 58.92 1ysd h ARG 53 Cb 1.13 0.05 0.01 0.00 -0.42 0.00 0.00 29.97 30.75 1ysd h ARG 53 CO 0.07 -0.16 -1.23 0.74 -1.51 0.00 0.00 179.97 177.88 1ysd h PHE 54 N -0.25 0.60 -0.13 2.20 -1.00 -1.86 0.19 116.94 116.69 1ysd h PHE 54 Ca 0.10 -0.42 -0.07 0.00 2.81 0.00 0.00 57.97 60.39 1ysd h PHE 54 Cb 0.39 -0.03 -0.01 0.00 3.61 0.00 0.00 35.95 39.91 1ysd h PHE 54 CO -0.31 1.31 -0.24 1.96 -1.61 0.00 0.00 178.31 179.42 1ysd h GLN 55 N 0.12 0.23 0.00 1.51 7.50 -1.85 -3.32 115.11 119.30 1ysd h GLN 55 Ca -0.14 -0.07 -0.03 0.00 0.50 0.00 0.00 58.65 58.90 1ysd h GLN 55 Cb 1.93 -0.02 -0.07 0.00 0.05 0.00 0.00 27.48 29.37 1ysd h GLN 55 CO 0.21 0.47 -0.52 0.36 -1.50 0.00 0.00 178.83 177.84 1ysd n LYS 56 N -4.17 0.27 -3.81 1.46 2.85 -0.55 -5.01 118.16 109.20 1ysd n LYS 56 Ca -0.01 -1.54 -0.25 0.00 -1.05 0.00 0.00 58.31 55.45 1ysd n LYS 56 Cb 0.35 -0.61 0.03 0.00 -0.65 0.00 0.00 35.03 34.15 1ysd n LYS 56 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 177.40 177.76 1ysd n GLY 57 N -0.18 -0.37 3.69 2.58 0.00 -0.02 -4.96 105.19 105.92 1ysd n GLY 57 Ca 0.05 0.16 -0.35 0.00 0.00 0.00 0.00 46.02 45.87 1ysd n GLY 57 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 1ysd s SER 58 N -3.91 6.00 0.00 1.61 0.15 -0.73 -4.98 113.70 111.85 1ysd s SER 58 Ca 0.29 0.16 0.26 0.00 0.70 0.00 0.00 55.95 57.36 1ysd s SER 58 Cb -0.14 -2.05 0.59 0.00 -1.71 0.00 0.00 66.02 62.71 1ysd s SER 58 CO 0.83 0.16 1.46 0.00 1.20 0.00 0.00 173.24 176.89 1ysd n ALA 59 N 3.62 3.23 0.00 5.45 0.00 -1.26 -3.95 120.51 127.60 1ysd n ALA 59 Ca -0.16 -0.44 0.00 0.00 0.00 0.00 0.00 53.44 52.84 1ysd n ALA 59 Cb 0.52 -1.07 0.00 0.00 0.00 0.00 0.00 19.45 18.90 1ysd n ALA 59 CO 0.00 0.00 0.00 0.25 0.00 0.00 0.00 177.50 177.75 1ysd n THR 60 N -0.63 0.00 -1.58 0.00 -2.24 -1.26 -4.89 114.28 103.69 1ysd n THR 60 Ca 0.11 -0.06 -0.42 0.00 -2.27 0.00 0.00 64.05 61.41 1ysd n THR 60 Cb 0.37 0.55 -0.01 0.00 -2.10 0.00 0.00 70.33 69.13 1ysd n THR 60 CO 0.00 0.00 0.00 0.18 -0.57 0.00 0.00 175.07 174.68 1ysd n LEU 61 N -1.39 6.30 -4.75 3.22 4.77 -1.26 -4.76 117.00 119.13 1ysd n LEU 61 Ca 0.00 -3.86 -0.29 0.00 -0.03 0.00 0.00 56.01 51.83 1ysd n LEU 61 Cb 0.00 -1.53 0.14 0.00 -2.33 0.00 0.00 43.42 39.70 1ysd n LEU 61 CO 0.00 0.81 0.69 -1.00 -1.33 0.00 0.00 177.39 176.56 1ysd s HIS 62 N 3.57 2.43 0.24 -1.77 3.76 -1.26 -1.16 115.29 121.09 1ysd s HIS 62 Ca 0.50 1.01 -0.05 0.00 -0.15 0.00 0.00 55.06 56.37 1ysd s HIS 62 Cb 0.14 -3.27 0.43 0.00 1.11 0.00 0.00 32.58 30.99 1ysd s HIS 62 CO -0.04 -2.40 1.73 0.78 -0.85 0.00 0.00 174.74 173.95 1ysd h GLY 63 N -1.54 1.08 1.00 -2.22 0.00 -1.79 0.20 103.07 99.81 1ysd h GLY 63 Ca -0.51 -0.13 -0.09 0.00 0.00 0.00 0.00 47.33 46.60 1ysd h GLY 63 CO 0.59 -0.10 -0.09 0.83 0.00 0.00 0.00 176.54 177.78 1ysd h GLU 64 N 0.42 0.81 -0.46 4.80 3.07 -1.88 -0.80 114.58 120.54 1ysd h GLU 64 Ca 0.40 -0.30 -0.10 0.00 -0.50 0.00 0.00 59.36 58.85 1ysd h GLU 64 Cb 0.60 -0.05 -0.01 0.00 -0.84 0.00 0.00 28.75 28.44 1ysd h GLU 64 CO -0.40 0.92 -0.11 0.82 -1.40 0.00 0.00 179.01 178.84 1ysd h ILE 65 N 0.64 1.27 -0.82 3.13 1.08 -1.72 -1.88 117.51 119.22 1ysd h ILE 65 Ca 0.11 -1.24 -0.03 0.00 -0.39 0.00 0.00 64.86 63.31 1ysd h ILE 65 Cb 0.61 1.11 -0.04 0.00 -3.07 0.00 0.00 36.82 35.44 1ysd h ILE 65 CO 0.04 0.43 0.41 -1.28 -0.69 0.00 0.00 178.15 177.06 1ysd h SER 66 N 0.74 1.06 -0.06 1.72 0.87 -0.53 0.10 113.55 117.45 1ysd h SER 66 Ca 0.12 -0.12 0.01 0.00 -1.23 0.00 0.00 61.79 60.56 1ysd h SER 66 Cb 0.66 -0.27 -0.01 0.00 -0.44 0.00 0.00 62.40 62.34 1ysd h SER 66 CO 0.05 0.88 0.00 0.74 -0.53 0.00 0.00 176.83 177.97 1ysd h THR 67 N 1.15 0.97 -0.67 2.23 2.02 -0.88 -0.32 112.91 117.41 1ysd h THR 67 Ca 0.28 -0.01 -0.06 0.00 0.77 0.00 0.00 66.41 67.40 1ysd h THR 67 Cb 0.09 0.94 -0.03 0.00 -1.74 0.00 0.00 68.15 67.41 1ysd h THR 67 CO -0.04 0.00 0.19 -0.07 0.37 0.00 0.00 175.52 175.97 1ysd h LEU 68 N 0.02 0.98 -1.02 2.58 3.38 -1.02 -2.41 115.31 117.83 1ysd h LEU 68 Ca 0.02 -0.19 -0.03 0.00 0.09 0.00 0.00 57.88 57.78 1ysd h LEU 68 Cb 0.03 -0.26 -0.03 0.00 0.09 0.00 0.00 40.66 40.48 1ysd h LEU 68 CO -0.04 0.93 0.36 -0.08 0.09 0.00 0.00 178.44 179.71 1ysd h GLU 69 N 1.01 1.06 0.00 1.13 4.57 -0.43 -2.21 114.58 119.70 1ysd h GLU 69 Ca 0.22 -0.14 0.00 0.00 -1.18 0.00 0.00 59.36 58.26 1ysd h GLU 69 Cb 0.32 -0.20 0.00 0.00 -0.16 0.00 0.00 28.75 28.71 1ysd h GLU 69 CO -0.00 0.81 0.00 0.09 -1.18 0.00 0.00 179.01 178.72 1ysd n ASN 70 N -4.33 0.50 0.20 1.04 3.02 -0.16 -2.20 115.26 113.33 1ysd n ASN 70 Ca 0.07 0.60 0.10 0.00 -0.03 0.00 0.00 54.58 55.32 1ysd n ASN 70 Cb 0.13 -0.71 0.17 0.00 -0.61 0.00 0.00 39.78 38.76 1ysd n ASN 70 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 1ysd n GLY 72 N 1.04 -2.19 3.68 0.00 0.00 -0.93 -4.79 105.19 102.01 1ysd n GLY 72 Ca 0.03 -1.49 -0.42 0.00 0.00 0.00 0.00 46.02 44.14 1ysd n GLY 72 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 1ysd s ARG 73 N -0.65 4.28 0.10 1.61 0.52 -1.26 -4.94 118.95 118.60 1ysd s ARG 73 Ca 0.00 1.92 0.05 0.00 -0.52 0.00 0.00 55.73 57.18 1ysd s ARG 73 Cb 0.00 -3.61 -0.03 0.00 0.52 0.00 0.00 34.95 31.83 1ysd s ARG 73 CO 0.00 -0.58 -0.13 -0.51 0.02 0.00 0.00 175.30 174.09 1ysd s LEU 74 N 2.55 2.35 0.50 2.53 1.43 -1.26 -5.12 118.68 121.65 1ysd s LEU 74 Ca 0.63 -0.73 -0.23 0.00 -1.03 0.00 0.00 54.13 52.77 1ysd s LEU 74 Cb -0.30 -0.49 -0.06 0.00 0.03 0.00 0.00 46.19 45.37 1ysd s LEU 74 CO 0.25 -0.14 1.28 -1.61 0.23 0.00 0.00 176.35 176.36 1ysd s GLU 75 N -2.30 3.48 0.33 1.70 0.41 -1.26 -4.89 118.70 116.16 1ysd s GLU 75 Ca 0.04 2.04 0.07 0.00 -0.41 0.00 0.00 54.97 56.71 1ysd s GLU 75 Cb -0.07 -2.37 0.74 0.00 -1.78 0.00 0.00 34.13 30.66 1ysd s GLU 75 CO 0.02 -0.86 1.85 0.78 -0.49 0.00 0.00 175.26 176.57 1ysd h GLY 76 N 1.83 1.36 2.00 -1.39 0.00 -2.00 -2.22 103.07 102.65 1ysd h GLY 76 Ca -0.50 -0.34 -0.01 0.00 0.00 0.00 0.00 47.33 46.48 1ysd h GLY 76 CO 0.59 0.10 -0.05 0.07 0.00 0.00 0.00 176.54 177.25 1ysd h LYS 77 N 0.78 0.00 -0.56 4.80 5.09 -1.94 -2.94 116.57 121.80 1ysd h LYS 77 Ca 0.47 0.00 0.01 0.00 0.09 0.00 0.00 60.65 61.23 1ysd h LYS 77 Cb 0.68 0.00 -0.03 0.00 0.10 0.00 0.00 32.23 32.98 1ysd h LYS 77 CO -0.24 0.05 0.36 0.28 -2.09 0.00 0.00 179.45 177.81 1ysd h VAL 78 N 0.00 1.11 0.00 0.07 2.07 -1.77 -2.42 116.25 115.31 1ysd h VAL 78 Ca -0.00 -0.25 -0.02 0.00 0.82 0.00 0.00 66.70 67.26 1ysd h VAL 78 Cb 0.09 0.33 -0.00 0.00 -1.52 0.00 0.00 31.29 30.19 1ysd h VAL 78 CO 0.01 0.13 -0.09 1.88 0.02 0.00 0.00 177.57 179.52 1ysd h TYR 79 N 0.72 0.00 0.00 1.57 0.05 -1.67 -3.06 116.97 114.59 1ysd h TYR 79 Ca 0.21 0.00 0.00 0.00 0.05 0.00 0.00 58.73 58.99 1ysd h TYR 79 Cb -0.04 0.00 0.00 0.00 1.01 0.00 0.00 36.73 37.70 1ysd h TYR 79 CO -0.05 0.09 0.12 0.87 -1.05 0.00 0.00 178.16 178.14 1ysd h LYS 80 N 0.00 0.00 -1.48 4.88 1.79 -1.51 -2.69 116.57 117.56 1ysd h LYS 80 Ca -0.00 0.00 -0.47 0.00 -2.18 0.00 0.00 60.65 58.00 1ysd h LYS 80 Cb 0.16 0.00 -0.41 0.00 -1.58 0.00 0.00 32.23 30.40 1ysd h LYS 80 CO 0.01 0.00 -1.02 -3.47 -1.08 0.00 0.00 179.45 173.89 1ysd n ASP 81 N -2.59 2.47 -4.38 0.86 2.03 -1.15 -4.51 116.55 109.28 1ysd n ASP 81 Ca -0.02 -3.13 -0.19 0.00 0.52 0.00 0.00 54.79 51.96 1ysd n ASP 81 Cb 0.17 -0.53 -0.10 0.00 -0.72 0.00 0.00 41.12 39.93 1ysd n ASP 81 CO 0.00 0.00 0.00 0.42 -1.92 0.00 0.00 177.20 175.70 1ysd s THR 82 N -3.73 0.89 -0.06 5.18 -4.23 -1.01 -1.27 115.64 111.41 1ysd s THR 82 Ca 0.37 -2.00 0.02 0.00 -1.18 0.00 0.00 61.69 58.90 1ysd s THR 82 Cb 0.40 -2.71 0.01 0.00 1.34 0.00 0.00 72.50 71.54 1ysd s THR 82 CO -0.06 0.00 -0.11 -0.89 -0.54 0.00 0.00 174.62 173.02 1ysd s THR 83 N -3.50 1.00 -0.24 3.99 2.01 -0.27 -3.55 115.64 115.08 1ysd s THR 83 Ca 0.37 -0.41 -0.11 0.00 0.31 0.00 0.00 61.69 61.86 1ysd s THR 83 Cb 0.08 -0.92 -0.05 0.00 0.01 0.00 0.00 72.50 71.62 1ysd s THR 83 CO 0.15 0.32 0.16 -0.22 -0.69 0.00 0.00 174.62 174.34 1ysd s LEU 84 N 0.65 4.11 -0.16 4.42 2.96 -0.17 -1.51 118.68 128.97 1ysd s LEU 84 Ca -0.13 0.11 -0.06 0.00 -0.22 0.00 0.00 54.13 53.83 1ysd s LEU 84 Cb -0.15 -2.11 -0.04 0.00 0.50 0.00 0.00 46.19 44.39 1ysd s LEU 84 CO 0.03 0.06 0.06 -0.31 -1.32 0.00 0.00 176.35 174.86 1ysd s TYR 85 N 1.09 3.27 -0.00 5.38 2.02 0.27 -1.20 117.35 128.17 1ysd s TYR 85 Ca 0.08 0.13 0.00 0.00 -0.37 0.00 0.00 57.07 56.91 1ysd s TYR 85 Cb -0.14 -2.02 -0.00 0.00 -0.40 0.00 0.00 41.96 39.41 1ysd s TYR 85 CO 0.05 0.26 -0.01 -0.08 -1.57 0.00 0.00 175.55 174.19 1ysd s THR 86 N 0.04 0.12 -0.02 -0.71 -1.32 -0.56 -1.60 115.64 111.58 1ysd s THR 86 Ca 0.05 -0.06 0.32 0.00 -1.21 0.00 0.00 61.69 60.79 1ysd s THR 86 Cb -0.12 -0.11 0.37 0.00 -1.51 0.00 0.00 72.50 71.13 1ysd s THR 86 CO 0.01 0.04 1.92 0.71 -2.21 0.00 0.00 174.62 175.08 1ysd h THR 87 N 5.15 0.00 -3.88 5.08 1.35 -1.53 0.12 112.91 119.20 1ysd h THR 87 Ca -0.26 -0.52 -0.29 0.00 -0.55 0.00 0.00 66.41 64.79 1ysd h THR 87 Cb 1.20 1.49 -0.27 0.00 -1.73 0.00 0.00 68.15 68.85 1ysd h THR 87 CO 0.51 0.00 -0.74 -0.22 -0.25 0.00 0.00 175.52 174.82 1ysd s LEU 88 N -5.97 2.05 0.03 3.87 2.96 -1.26 -2.45 118.68 117.91 1ysd s LEU 88 Ca 0.02 -0.16 -0.36 0.00 -0.22 0.00 0.00 54.13 53.42 1ysd s LEU 88 Cb 0.09 -0.18 -0.15 0.00 0.50 0.00 0.00 46.19 46.45 1ysd s LEU 88 CO 0.54 -0.00 1.57 -0.24 -1.32 0.00 0.00 176.35 176.89 1ysd n SER 89 N 2.71 2.54 -4.73 3.68 2.88 -0.37 -4.83 113.62 115.50 1ysd n SER 89 Ca -0.15 1.08 -0.42 0.00 -1.33 0.00 0.00 58.87 58.05 1ysd n SER 89 Cb 0.58 -1.29 -0.00 0.00 -0.75 0.00 0.00 64.21 62.74 1ysd n SER 89 CO 0.00 0.00 0.00 -0.81 -1.23 0.00 0.00 175.04 173.00 1ysd n PRO 90 N 3.93 2.34 -1.52 -1.46 -0.04 -1.26 -4.66 135.00 132.32 1ysd n PRO 90 Ca 0.20 0.82 -0.28 0.00 -0.04 0.00 0.00 63.50 64.20 1ysd n PRO 90 Cb 0.23 -2.47 0.21 0.00 -0.04 0.00 0.00 33.50 31.43 1ysd n PRO 90 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 1ysd h ASP 92 N -1.98 0.15 0.01 0.00 5.19 -1.96 -0.78 116.42 117.06 1ysd h ASP 92 Ca -0.40 -0.02 -0.00 0.00 -0.62 0.00 0.00 57.03 55.99 1ysd h ASP 92 Cb 1.14 -0.04 0.00 0.00 0.18 0.00 0.00 39.33 40.61 1ysd h ASP 92 CO 0.28 0.23 -0.01 -0.03 -3.12 0.00 0.00 179.24 176.59 1ysd h MET 93 N 0.17 -0.02 -0.14 3.56 4.05 -1.99 -1.71 114.93 118.84 1ysd h MET 93 Ca 0.04 0.00 -0.06 0.00 -0.28 0.00 0.00 59.70 59.40 1ysd h MET 93 Cb 0.19 0.00 -0.01 0.00 -0.80 0.00 0.00 31.60 30.99 1ysd h MET 93 CO 0.01 0.57 -0.18 0.00 0.23 0.00 0.00 176.91 177.54 1ysd h THR 95 N 0.22 1.25 -0.34 0.00 2.02 -1.15 -2.26 112.91 112.65 1ysd h THR 95 Ca 0.04 -0.96 -0.03 0.00 0.77 0.00 0.00 66.41 66.24 1ysd h THR 95 Cb 0.46 0.83 -0.02 0.00 -1.74 0.00 0.00 68.15 67.68 1ysd h THR 95 CO 0.03 0.35 0.09 1.23 0.37 0.00 0.00 175.52 177.58 1ysd h GLY 96 N 0.78 0.53 0.92 2.16 0.00 -0.33 -1.52 103.07 105.61 1ysd h GLY 96 Ca 0.16 -0.27 -0.08 0.00 0.00 0.00 0.00 47.33 47.15 1ysd h GLY 96 CO 0.01 0.25 -0.11 0.00 0.00 0.00 0.00 176.54 176.69 1ysd h ALA 97 N 1.61 0.45 -0.63 3.60 0.00 -0.90 0.62 119.26 124.01 1ysd h ALA 97 Ca 0.12 -0.31 -0.00 0.00 0.00 0.00 0.00 54.91 54.71 1ysd h ALA 97 Cb 0.18 -0.11 -0.03 0.00 0.00 0.00 0.00 17.79 17.83 1ysd h ALA 97 CO -0.00 0.32 0.38 0.82 0.00 0.00 0.00 179.25 180.76 1ysd h ILE 98 N 0.42 1.18 -0.16 0.00 2.04 -1.03 -2.16 117.51 117.81 1ysd h ILE 98 Ca 0.08 -0.41 -0.02 0.00 1.00 0.00 0.00 64.86 65.51 1ysd h ILE 98 Cb 0.63 0.32 -0.01 0.00 -0.74 0.00 0.00 36.82 37.02 1ysd h ILE 98 CO 0.04 0.19 0.01 0.40 0.00 0.00 0.00 178.15 178.79 1ysd h ILE 99 N 0.85 1.24 -0.51 -0.67 2.04 -1.16 -1.92 117.51 117.38 1ysd h ILE 99 Ca 0.23 -0.78 0.04 0.00 1.00 0.00 0.00 64.86 65.35 1ysd h ILE 99 Cb -0.02 1.44 -0.04 0.00 -0.74 0.00 0.00 36.82 37.45 1ysd h ILE 99 CO -0.04 0.23 0.27 -0.03 0.00 0.00 0.00 178.15 178.58 1ysd h MET 100 N 0.04 0.51 -0.00 2.37 4.05 -0.69 -2.28 114.93 118.93 1ysd h MET 100 Ca 0.05 -0.03 0.00 0.00 -0.28 0.00 0.00 59.70 59.44 1ysd h MET 100 Cb 0.34 -0.12 0.00 0.00 -0.80 0.00 0.00 31.60 31.02 1ysd h MET 100 CO 0.01 0.34 -0.07 0.66 0.23 0.00 0.00 176.91 178.07 1ysd n TYR 101 N -4.86 0.00 -1.90 1.39 4.01 -0.83 -4.94 117.16 110.03 1ysd n TYR 101 Ca 0.04 0.00 -0.08 0.00 -0.16 0.00 0.00 57.90 57.70 1ysd n TYR 101 Cb 0.12 -0.38 -0.01 0.00 -0.31 0.00 0.00 39.34 38.76 1ysd n TYR 101 CO 0.00 0.00 0.00 0.41 -0.46 0.00 0.00 176.86 176.81 1ysd n GLY 102 N 1.42 0.30 3.59 2.72 0.00 -0.79 -4.44 105.19 107.99 1ysd n GLY 102 Ca 0.10 -0.59 -0.42 0.00 0.00 0.00 0.00 46.02 45.11 1ysd n GLY 102 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1ysd s ILE 103 N -2.37 3.51 0.40 -0.61 1.01 -0.83 -4.24 121.20 118.07 1ysd s ILE 103 Ca 0.00 0.48 0.12 0.00 0.00 0.00 0.00 60.65 61.25 1ysd s ILE 103 Cb 0.00 -3.79 0.33 0.00 0.01 0.00 0.00 42.46 39.01 1ysd s ILE 103 CO 0.00 -0.57 1.92 1.55 0.00 0.00 0.00 174.94 177.84 1ysd h PRO 104 N 13.03 0.53 -5.96 2.79 0.13 -1.75 -3.44 132.00 137.33 1ysd h PRO 104 Ca -0.31 -0.03 -0.58 0.00 -0.87 0.00 0.00 66.00 64.20 1ysd h PRO 104 Cb 1.16 -0.12 -0.28 0.00 0.13 0.00 0.00 31.00 31.88 1ysd h PRO 104 CO 1.08 0.35 -0.85 1.03 -0.23 0.00 0.00 178.00 179.39 1ysd s ARG 105 N -5.53 1.53 -0.14 0.86 0.52 -1.23 -0.90 118.95 114.07 1ysd s ARG 105 Ca -0.09 -0.78 -0.01 0.00 -0.52 0.00 0.00 55.73 54.33 1ysd s ARG 105 Cb 0.21 -1.53 0.04 0.00 0.52 0.00 0.00 34.95 34.19 1ysd s ARG 105 CO 0.77 0.41 -0.02 0.00 0.02 0.00 0.00 175.30 176.48 1ysd s VAL 107 N 1.80 4.73 -0.13 0.00 1.01 -0.34 -1.45 120.40 126.02 1ysd s VAL 107 Ca 0.02 -0.03 -0.04 0.00 0.00 0.00 0.00 61.98 61.93 1ysd s VAL 107 Cb -0.14 -3.23 -0.03 0.00 0.00 0.00 0.00 36.38 32.97 1ysd s VAL 107 CO -0.07 0.31 0.01 -0.69 0.00 0.00 0.00 175.10 174.66 1ysd s VAL 108 N 1.59 4.36 0.05 2.92 1.01 0.20 -1.50 120.40 129.03 1ysd s VAL 108 Ca 0.06 -0.20 -0.23 0.00 0.00 0.00 0.00 61.98 61.61 1ysd s VAL 108 Cb -0.15 -2.90 -0.14 0.00 0.00 0.00 0.00 36.38 33.19 1ysd s VAL 108 CO 0.06 0.53 1.50 1.23 0.00 0.00 0.00 175.10 178.42 1ysd h GLY 109 N 6.04 0.16 -3.32 4.51 0.00 -0.77 0.13 103.07 109.82 1ysd h GLY 109 Ca -0.41 -0.11 0.01 0.00 0.00 0.00 0.00 47.33 46.81 1ysd h GLY 109 CO 0.62 0.10 0.28 -1.83 0.00 0.00 0.00 176.54 175.71 1ysd s GLU 110 N -5.10 1.11 -0.07 4.80 4.04 -1.03 0.31 118.70 122.77 1ysd s GLU 110 Ca -0.14 -0.28 0.18 0.00 0.04 0.00 0.00 54.97 54.77 1ysd s GLU 110 Cb 0.05 0.51 0.37 0.00 0.02 0.00 0.00 34.13 35.08 1ysd s GLU 110 CO 0.69 -0.46 1.16 0.27 -1.84 0.00 0.00 175.26 175.09 1ysd n ASN 111 N -0.07 1.18 -0.04 0.83 0.23 -1.26 -1.23 115.26 114.89 1ysd n ASN 111 Ca -0.15 -2.62 -0.21 0.00 -0.53 0.00 0.00 54.58 51.06 1ysd n ASN 111 Cb 0.63 -0.36 -0.13 0.00 -2.08 0.00 0.00 39.78 37.83 1ysd n ASN 111 CO 0.00 0.00 0.00 0.58 -0.93 0.00 0.00 177.26 176.91 1ysd h VAL 112 N 4.81 0.90 0.00 3.53 2.07 -1.98 -3.37 116.25 122.21 1ysd h VAL 112 Ca -0.12 -2.30 -0.09 0.00 0.82 0.00 0.00 66.70 65.01 1ysd h VAL 112 Cb 1.52 2.49 -0.01 0.00 -1.52 0.00 0.00 31.29 33.77 1ysd h VAL 112 CO 0.05 0.60 -0.43 0.78 0.02 0.00 0.00 177.57 178.59 1ysd h ASN 113 N -0.50 0.00 -4.35 0.57 -0.26 -1.94 -3.45 115.58 105.65 1ysd h ASN 113 Ca -0.34 0.00 -0.05 0.00 -0.56 0.00 0.00 56.30 55.35 1ysd h ASN 113 Cb 1.63 0.00 -0.20 0.00 -1.06 0.00 0.00 38.32 38.69 1ysd h ASN 113 CO -0.04 0.43 0.13 0.12 -1.06 0.00 0.00 177.43 177.01 1ysd s PHE 114 N -3.35 -0.73 -0.29 1.19 5.36 -1.26 -5.12 117.98 113.78 1ysd s PHE 114 Ca 0.01 1.61 -0.15 0.00 -0.96 0.00 0.00 56.93 57.45 1ysd s PHE 114 Cb 0.10 0.31 0.11 0.00 -0.34 0.00 0.00 43.02 43.20 1ysd s PHE 114 CO 0.71 -0.45 0.76 0.21 -1.46 0.00 0.00 175.22 174.98 1ysd s LYS 115 N -0.18 0.59 0.53 10.12 2.20 -1.26 -4.29 119.74 127.46 1ysd s LYS 115 Ca -0.04 1.13 0.05 0.00 -0.36 0.00 0.00 55.97 56.75 1ysd s LYS 115 Cb -0.03 0.30 0.05 0.00 -1.51 0.00 0.00 37.83 36.63 1ysd s LYS 115 CO 0.04 -0.14 0.37 -1.13 -0.36 0.00 0.00 175.35 174.13 1ysd n SER 116 N 4.48 2.74 0.00 1.43 3.41 -1.26 -4.98 113.62 119.43 1ysd n SER 116 Ca -0.17 -2.84 0.07 0.00 -0.26 0.00 0.00 58.87 55.67 1ysd n SER 116 Cb 0.56 -0.02 0.35 0.00 -0.26 0.00 0.00 64.21 64.84 1ysd n SER 116 CO 0.00 0.00 0.00 0.29 -0.16 0.00 0.00 175.04 175.17 1ysd n LYS 117 N -1.71 0.07 0.15 4.33 5.02 -1.26 -3.11 118.16 121.65 1ysd n LYS 117 Ca -0.03 0.21 0.02 0.00 -2.02 0.00 0.00 58.31 56.48 1ysd n LYS 117 Cb 0.61 -1.50 0.35 0.00 -0.02 0.00 0.00 35.03 34.47 1ysd n LYS 117 CO 0.00 0.00 0.00 0.78 -0.52 0.00 0.00 177.40 177.66 1ysd h GLY 118 N 2.61 0.14 0.92 0.72 0.00 -1.86 -1.83 103.07 103.76 1ysd h GLY 118 Ca 0.00 -0.10 0.02 0.00 0.00 0.00 0.00 47.33 47.24 1ysd h GLY 118 CO 0.00 0.09 0.33 -2.09 0.00 0.00 0.00 176.54 174.87 1ysd h GLU 119 N 0.12 0.63 0.00 4.80 4.81 -1.75 -0.56 114.58 122.63 1ysd h GLU 119 Ca 0.02 -0.04 -0.24 0.00 -0.13 0.00 0.00 59.36 58.97 1ysd h GLU 119 Cb 0.57 -0.14 0.01 0.00 0.63 0.00 0.00 28.75 29.82 1ysd h GLU 119 CO 0.04 0.42 -0.98 -0.22 -0.73 0.00 0.00 179.01 177.54 1ysd h LYS 120 N 0.65 0.51 -0.63 1.92 1.63 -1.77 -3.20 116.57 115.68 1ysd h LYS 120 Ca 0.20 -0.55 0.03 0.00 -0.85 0.00 0.00 60.65 59.48 1ysd h LYS 120 Cb -0.01 0.16 -0.03 0.00 -0.60 0.00 0.00 32.23 31.74 1ysd h LYS 120 CO -0.08 1.18 0.42 -0.92 -3.45 0.00 0.00 179.45 176.60 1ysd h TYR 121 N 0.29 0.73 -0.81 1.91 3.20 -0.98 -0.22 116.97 121.09 1ysd h TYR 121 Ca -0.10 0.02 0.02 0.00 3.14 0.00 0.00 58.73 61.81 1ysd h TYR 121 Cb 1.62 -0.24 -0.04 0.00 1.54 0.00 0.00 36.73 39.60 1ysd h TYR 121 CO 0.07 0.43 0.53 -0.07 -1.64 0.00 0.00 178.16 177.48 1ysd h LEU 122 N 0.76 0.89 -0.46 2.82 3.38 -1.10 0.12 115.31 121.72 1ysd h LEU 122 Ca 0.25 -0.01 -0.15 0.00 0.09 0.00 0.00 57.88 58.06 1ysd h LEU 122 Cb 0.05 -0.21 -0.01 0.00 0.09 0.00 0.00 40.66 40.58 1ysd h LEU 122 CO -0.07 0.63 -0.34 1.56 0.09 0.00 0.00 178.44 180.31 1ysd h GLN 123 N 1.05 0.91 -0.60 1.13 4.20 -1.24 0.17 115.11 120.74 1ysd h GLN 123 Ca 0.31 -0.45 -0.01 0.00 0.06 0.00 0.00 58.65 58.56 1ysd h GLN 123 Cb -0.06 0.00 -0.03 0.00 0.30 0.00 0.00 27.48 27.70 1ysd h GLN 123 CO -0.09 1.11 0.34 1.15 -0.67 0.00 0.00 178.83 180.67 1ysd h THR 124 N 0.76 1.17 -0.15 -0.54 2.02 -0.52 -1.45 112.91 114.21 1ysd h THR 124 Ca 0.07 -0.41 0.00 0.00 0.77 0.00 0.00 66.41 66.84 1ysd h THR 124 Cb 0.92 0.35 0.00 0.00 -1.74 0.00 0.00 68.15 67.69 1ysd h THR 124 CO 0.09 0.19 0.00 0.54 0.37 0.00 0.00 175.52 176.70 1ysd n ARG 125 N -4.40 1.38 -0.53 6.66 5.12 -0.02 -4.90 116.66 119.96 1ysd n ARG 125 Ca 0.06 -0.58 0.00 0.00 -1.93 0.00 0.00 57.85 55.40 1ysd n ARG 125 Cb 0.08 -1.18 0.00 0.00 -1.16 0.00 0.00 32.46 30.21 1ysd n ARG 125 CO 0.00 0.00 0.00 0.41 -1.93 0.00 0.00 177.63 176.11 1ysd n GLY 126 N 0.81 0.74 3.90 -0.13 0.00 -0.54 -5.05 105.19 104.91 1ysd n GLY 126 Ca 0.08 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.81 1ysd n GLY 126 CO 0.00 0.00 0.00 0.30 0.00 0.00 0.00 173.32 173.62 1ysd s HIS 127 N -2.21 3.48 -0.14 1.61 3.76 0.02 -5.00 115.29 116.82 1ysd s HIS 127 Ca 0.00 0.75 -0.14 0.00 -0.15 0.00 0.00 55.06 55.52 1ysd s HIS 127 Cb 0.00 -2.19 -0.05 0.00 1.11 0.00 0.00 32.58 31.45 1ysd s HIS 127 CO 0.00 0.09 0.32 -2.00 -0.85 0.00 0.00 174.74 172.30 1ysd s GLU 128 N -3.65 4.20 -0.10 1.40 2.12 -0.07 -4.05 118.70 118.55 1ysd s GLU 128 Ca 0.46 0.15 0.04 0.00 0.36 0.00 0.00 54.97 55.97 1ysd s GLU 128 Cb -0.11 -3.40 -0.00 0.00 0.26 0.00 0.00 34.13 30.88 1ysd s GLU 128 CO 0.30 0.29 -0.22 0.08 -0.54 0.00 0.00 175.26 175.17 1ysd s VAL 129 N 0.29 2.23 -0.15 3.70 1.01 -1.26 -1.34 120.40 124.89 1ysd s VAL 129 Ca 0.18 -0.96 0.01 0.00 0.00 0.00 0.00 61.98 61.20 1ysd s VAL 129 Cb -0.13 -1.86 0.02 0.00 0.00 0.00 0.00 36.38 34.40 1ysd s VAL 129 CO 0.05 0.56 -0.16 -0.69 0.00 0.00 0.00 175.10 174.86 1ysd s VAL 130 N 0.28 1.72 -0.33 2.92 1.01 -0.53 -5.00 120.40 120.47 1ysd s VAL 130 Ca -0.16 -0.73 -0.10 0.00 0.00 0.00 0.00 61.98 60.99 1ysd s VAL 130 Cb -0.17 -1.58 0.01 0.00 0.00 0.00 0.00 36.38 34.63 1ysd s VAL 130 CO 0.08 0.48 0.16 -0.69 0.00 0.00 0.00 175.10 175.14 1ysd s VAL 131 N 1.37 4.54 0.13 2.92 1.01 -1.26 0.60 120.40 129.70 1ysd s VAL 131 Ca 0.04 -0.60 -0.01 0.00 0.00 0.00 0.00 61.98 61.41 1ysd s VAL 131 Cb -0.13 -3.39 -0.19 0.00 0.00 0.00 0.00 36.38 32.67 1ysd s VAL 131 CO -0.10 -0.04 1.31 0.58 0.00 0.00 0.00 175.10 176.85 1ysd h VAL 132 N 5.75 1.48 -4.97 2.92 2.07 -0.85 -3.48 116.25 119.17 1ysd h VAL 132 Ca -0.30 -2.69 -0.24 0.00 0.82 0.00 0.00 66.70 64.29 1ysd h VAL 132 Cb 1.13 2.56 0.15 0.00 -1.52 0.00 0.00 31.29 33.61 1ysd h VAL 132 CO 0.63 0.79 -0.65 -0.67 0.02 0.00 0.00 177.57 177.69 1ysd n ASP 133 N -3.64 -3.61 -4.62 0.57 4.64 0.14 -4.95 116.55 105.08 1ysd n ASP 133 Ca -0.05 -0.53 -0.43 0.00 -1.38 0.00 0.00 54.79 52.40 1ysd n ASP 133 Cb 0.86 -4.28 -0.02 0.00 -1.04 0.00 0.00 41.12 36.64 1ysd n ASP 133 CO 0.00 0.00 0.00 -0.62 -0.82 0.00 0.00 177.20 175.76 1ysd s ASP 134 N -3.77 6.73 0.50 1.67 -1.08 0.15 -4.92 116.67 115.94 1ysd s ASP 134 Ca 0.16 0.91 0.25 0.00 -0.52 0.00 0.00 52.55 53.35 1ysd s ASP 134 Cb -0.02 -2.54 1.32 0.00 -1.46 0.00 0.00 42.92 40.22 1ysd s ASP 134 CO 0.59 -1.09 2.03 -0.33 0.52 0.00 0.00 175.17 176.90 1ysd h GLU 135 N 8.96 0.00 -0.40 4.34 4.39 -1.92 -2.15 114.58 127.80 1ysd h GLU 135 Ca -0.23 0.00 -0.05 0.00 0.34 0.00 0.00 59.36 59.42 1ysd h GLU 135 Cb 1.07 0.00 -0.02 0.00 -0.10 0.00 0.00 28.75 29.71 1ysd h GLU 135 CO 1.06 0.15 0.06 0.00 -1.16 0.00 0.00 179.01 179.13 1ysd h ARG 136 N 0.00 0.66 -0.21 2.33 3.08 -1.98 -0.08 114.38 118.19 1ysd h ARG 136 Ca -0.00 -0.18 -0.04 0.00 0.07 0.00 0.00 59.98 59.83 1ysd h ARG 136 Cb 0.38 -0.08 -0.01 0.00 0.08 0.00 0.00 29.97 30.35 1ysd h ARG 136 CO 0.02 0.71 -0.04 0.00 -1.07 0.00 0.00 179.97 179.59 1ysd h LYS 138 N 0.13 0.63 -0.50 0.00 3.64 -1.28 -1.01 116.57 118.17 1ysd h LYS 138 Ca 0.05 -0.04 -0.09 0.00 -1.27 0.00 0.00 60.65 59.31 1ysd h LYS 138 Cb 0.48 -0.14 -0.02 0.00 -0.41 0.00 0.00 32.23 32.14 1ysd h LYS 138 CO 0.02 0.42 -0.03 0.87 -2.27 0.00 0.00 179.45 178.46 1ysd h LYS 139 N 0.65 0.91 -0.37 1.90 1.57 -1.00 -1.18 116.57 119.05 1ysd h LYS 139 Ca 0.24 -0.30 -0.04 0.00 -1.87 0.00 0.00 60.65 58.68 1ysd h LYS 139 Cb 0.08 -0.07 -0.01 0.00 0.08 0.00 0.00 32.23 32.30 1ysd h LYS 139 CO -0.13 0.95 0.07 1.25 -0.57 0.00 0.00 179.45 181.02 1ysd h LEU 140 N 0.77 0.57 -0.59 2.94 5.85 -1.16 -1.76 115.31 121.93 1ysd h LEU 140 Ca 0.14 -0.25 -0.11 0.00 0.84 0.00 0.00 57.88 58.50 1ysd h LEU 140 Cb 0.56 -0.15 -0.02 0.00 0.37 0.00 0.00 40.66 41.42 1ysd h LEU 140 CO 0.03 0.68 -0.06 -0.03 -0.34 0.00 0.00 178.44 178.72 1ysd h MET 141 N 0.45 1.05 -0.69 1.25 4.05 -1.16 -2.71 114.93 117.17 1ysd h MET 141 Ca 0.11 -0.37 -0.05 0.00 -0.28 0.00 0.00 59.70 59.12 1ysd h MET 141 Cb 0.34 -0.08 -0.03 0.00 -0.80 0.00 0.00 31.60 31.03 1ysd h MET 141 CO 0.00 1.06 0.24 -0.22 0.23 0.00 0.00 176.91 178.23 1ysd h LYS 142 N 0.95 1.05 -0.41 0.39 1.63 -1.11 -1.61 116.57 117.46 1ysd h LYS 142 Ca 0.16 -0.20 -0.01 0.00 -0.85 0.00 0.00 60.65 59.74 1ysd h LYS 142 Cb 0.63 -0.16 -0.02 0.00 -0.60 0.00 0.00 32.23 32.07 1ysd h LYS 142 CO 0.04 0.88 0.21 0.37 -3.45 0.00 0.00 179.45 177.51 1ysd h GLN 143 N 1.02 0.58 -0.57 1.90 5.75 -1.14 -0.07 115.11 122.58 1ysd h GLN 143 Ca 0.23 -0.08 -0.03 0.00 -0.15 0.00 0.00 58.65 58.62 1ysd h GLN 143 Cb 0.25 -0.11 -0.03 0.00 1.07 0.00 0.00 27.48 28.67 1ysd h GLN 143 CO -0.01 0.49 0.23 0.35 -2.65 0.00 0.00 178.83 177.24 1ysd h PHE 144 N 0.53 0.87 -0.80 3.99 3.04 -1.20 -1.76 116.94 121.61 1ysd h PHE 144 Ca 0.14 -0.06 -0.04 0.00 3.98 0.00 0.00 57.97 61.99 1ysd h PHE 144 Cb 0.09 -0.26 -0.04 0.00 2.56 0.00 0.00 35.95 38.30 1ysd h PHE 144 CO -0.02 0.70 0.35 0.82 -2.02 0.00 0.00 178.31 178.14 1ysd h ILE 145 N 0.79 1.26 -0.46 1.41 2.04 -1.05 0.17 117.51 121.66 1ysd h ILE 145 Ca 0.19 -0.76 -0.02 0.00 1.00 0.00 0.00 64.86 65.27 1ysd h ILE 145 Cb 0.19 0.26 -0.02 0.00 -0.74 0.00 0.00 36.82 36.52 1ysd h ILE 145 CO -0.02 0.32 0.22 0.44 0.00 0.00 0.00 178.15 179.11 1ysd h ASP 146 N 1.15 0.61 0.67 1.72 3.45 -0.63 -2.15 116.42 121.24 1ysd h ASP 146 Ca 0.27 -0.13 -0.26 0.00 0.43 0.00 0.00 57.03 57.33 1ysd h ASP 146 Cb 0.16 -0.16 -0.04 0.00 -0.56 0.00 0.00 39.33 38.74 1ysd h ASP 146 CO -0.03 0.58 -1.42 1.05 -1.57 0.00 0.00 179.24 177.85 1ysd h GLU 147 N 0.61 0.04 -1.99 3.56 4.11 -1.13 -3.40 114.58 116.38 1ysd h GLU 147 Ca 0.16 -0.08 -0.50 0.00 0.07 0.00 0.00 59.36 59.02 1ysd h GLU 147 Cb 0.13 0.03 -0.40 0.00 0.50 0.00 0.00 28.75 29.00 1ysd h GLU 147 CO -0.02 0.80 -1.08 0.54 0.07 0.00 0.00 179.01 179.32 1ysd n ARG 148 N -3.23 1.48 -0.26 1.06 1.74 0.57 -4.96 116.66 113.05 1ysd n ARG 148 Ca -0.11 -3.69 0.05 0.00 -0.77 0.00 0.00 57.85 53.34 1ysd n ARG 148 Cb 1.01 -1.80 0.19 0.00 -1.02 0.00 0.00 32.46 30.84 1ysd n ARG 148 CO 0.00 0.00 0.00 -1.00 -1.52 0.00 0.00 177.63 175.11 1ysd h PRO 149 N 2.99 0.47 -0.46 5.56 0.13 -1.54 -1.37 132.00 137.77 1ysd h PRO 149 Ca 0.10 -0.03 -0.03 0.00 -0.87 0.00 0.00 66.00 65.17 1ysd h PRO 149 Cb 0.89 -0.11 -0.02 0.00 0.13 0.00 0.00 31.00 31.89 1ysd h PRO 149 CO 0.57 0.31 0.15 1.96 -0.23 0.00 0.00 178.00 180.76 1ysd h GLN 150 N 0.48 0.67 -0.29 0.86 1.08 -1.93 -0.77 115.11 115.21 1ysd h GLN 150 Ca 0.42 -0.11 -0.12 0.00 -1.45 0.00 0.00 58.65 57.39 1ysd h GLN 150 Cb 0.61 -0.12 -0.01 0.00 -0.05 0.00 0.00 27.48 27.91 1ysd h GLN 150 CO -0.39 0.58 -0.33 -0.44 -0.95 0.00 0.00 178.83 177.31 1ysd h ASP 151 N 0.66 0.66 0.04 1.46 3.32 -1.67 -1.63 116.42 119.26 1ysd h ASP 151 Ca 0.16 -0.27 -0.00 0.00 0.02 0.00 0.00 57.03 56.94 1ysd h ASP 151 Cb 0.19 -0.18 0.00 0.00 0.22 0.00 0.00 39.33 39.55 1ysd h ASP 151 CO -0.01 0.94 -0.02 -0.25 -1.72 0.00 0.00 179.24 178.18 1ysd h TRP 152 N 0.54 -0.05 -0.82 4.55 -0.00 -0.88 -2.78 115.95 116.52 1ysd h TRP 152 Ca 0.06 -0.00 0.12 0.00 -0.00 0.00 0.00 58.89 59.06 1ysd h TRP 152 Cb 0.83 0.02 -0.08 0.00 -0.00 0.00 0.00 29.16 29.92 1ysd h TRP 152 CO 0.04 0.14 0.44 0.74 -0.00 0.00 0.00 178.44 179.80 1ysd h PHE 153 N -0.23 0.78 -0.90 2.65 -1.00 -1.01 -1.18 116.94 116.05 1ysd h PHE 153 Ca -0.01 0.03 0.02 0.00 2.81 0.00 0.00 57.97 60.83 1ysd h PHE 153 Cb 0.21 -0.23 -0.05 0.00 3.61 0.00 0.00 35.95 39.50 1ysd h PHE 153 CO -0.01 0.26 0.59 1.49 -1.61 0.00 0.00 178.31 179.03 1ysd h GLU 154 N 0.69 1.13 0.00 1.51 4.81 -1.10 0.25 114.58 121.87 1ysd h GLU 154 Ca 0.42 -0.07 -0.01 0.00 -0.13 0.00 0.00 59.36 59.57 1ysd h GLU 154 Cb 0.48 -0.25 -0.00 0.00 0.63 0.00 0.00 28.75 29.61 1ysd h GLU 154 CO -0.30 0.75 -0.05 0.22 -0.73 0.00 0.00 179.01 178.90 1ysd h ASP 155 N 1.16 0.00 -0.12 1.04 3.58 -0.94 -2.16 116.42 118.98 1ysd h ASP 155 Ca 0.34 0.00 -0.03 0.00 0.42 0.00 0.00 57.03 57.76 1ysd h ASP 155 Cb -0.05 0.00 -0.02 0.00 1.72 0.00 0.00 39.33 40.98 1ysd h ASP 155 CO -0.09 0.05 -0.13 2.30 -2.88 0.00 0.00 179.24 178.49 1ysd n ILE 156 N -3.47 2.17 -1.58 2.25 -5.35 -0.61 -4.97 119.36 107.80 1ysd n ILE 156 Ca -0.02 -2.51 -0.19 0.00 -0.27 0.00 0.00 62.75 59.76 1ysd n ILE 156 Cb 0.17 -0.26 -0.08 0.00 -1.74 0.00 0.00 39.64 37.73 1ysd n ILE 156 CO 0.00 0.00 0.00 0.61 -1.76 0.00 0.00 176.55 175.40 1ysd n GLY 157 N -1.12 1.79 0.65 3.28 0.00 -0.72 -5.06 105.19 104.01 1ysd n GLY 157 Ca 0.21 -0.10 0.13 0.00 0.00 0.00 0.00 46.02 46.26 1ysd n GLY 157 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50