#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1y2g n LYS 7 N 0.00 1.87 -3.57 -0.14 2.85 -1.26 -4.15 118.16 113.76 1y2g n LYS 7 Ca 0.00 -0.54 -0.09 0.00 -1.05 0.00 0.00 58.31 56.64 1y2g n LYS 7 Cb 0.00 -0.98 -0.04 0.00 -0.65 0.00 0.00 35.03 33.36 1y2g n LYS 7 CO 0.00 0.00 0.00 -1.83 -0.05 0.00 0.00 177.40 175.52 1y2g s GLU 8 N -0.88 0.56 0.17 -1.58 -1.05 -1.26 -4.56 118.70 110.10 1y2g s GLU 8 Ca 0.05 0.00 -0.24 0.00 -0.15 0.00 0.00 54.97 54.64 1y2g s GLU 8 Cb 0.05 0.26 0.06 0.00 -0.44 0.00 0.00 34.13 34.06 1y2g s GLU 8 CO 0.13 -0.20 0.71 0.00 0.95 0.00 0.00 175.26 176.85 1y2g s ALA 9 N -1.70 -1.54 -0.25 -0.84 0.00 -0.10 -4.98 121.76 112.35 1y2g s ALA 9 Ca 0.02 0.32 0.01 0.00 0.00 0.00 0.00 51.96 52.31 1y2g s ALA 9 Cb -0.01 0.78 0.04 0.00 0.00 0.00 0.00 23.12 23.94 1y2g s ALA 9 CO -0.02 -0.86 -0.11 0.08 0.00 0.00 0.00 175.76 174.86 1y2g s VAL 10 N -3.65 2.38 -0.23 0.00 1.01 -1.26 -0.21 120.40 118.43 1y2g s VAL 10 Ca 0.05 -1.36 -0.28 0.00 0.00 0.00 0.00 61.98 60.40 1y2g s VAL 10 Cb -0.02 -2.28 0.01 0.00 0.00 0.00 0.00 36.38 34.08 1y2g s VAL 10 CO -0.06 0.12 0.99 -0.63 0.00 0.00 0.00 175.10 175.52 1y2g s ILE 11 N 1.20 4.71 -0.06 2.22 -1.09 0.10 -4.88 121.20 123.41 1y2g s ILE 11 Ca -0.04 1.93 0.04 0.00 -2.23 0.00 0.00 60.65 60.34 1y2g s ILE 11 Cb -0.18 -4.27 0.00 0.00 -1.58 0.00 0.00 42.46 36.44 1y2g s ILE 11 CO -0.06 -0.16 -0.17 -0.63 -1.23 0.00 0.00 174.94 172.70 1y2g s ILE 12 N 3.12 1.45 0.22 2.92 1.01 -1.26 -0.77 121.20 127.89 1y2g s ILE 12 Ca 0.42 -0.70 0.00 0.00 0.00 0.00 0.00 60.65 60.37 1y2g s ILE 12 Cb -0.15 -1.26 -0.04 0.00 0.01 0.00 0.00 42.46 41.01 1y2g s ILE 12 CO 0.06 0.42 0.11 0.00 0.00 0.00 0.00 174.94 175.53 1y2g s MET 13 N 0.27 1.27 0.07 2.79 0.23 -0.46 -2.43 119.30 121.05 1y2g s MET 13 Ca -0.09 -1.67 0.00 0.00 -1.03 0.00 0.00 55.69 52.90 1y2g s MET 13 Cb -0.14 0.02 -0.04 0.00 -1.53 0.00 0.00 34.83 33.14 1y2g s MET 13 CO 0.04 -0.33 -0.05 -0.80 -2.03 0.00 0.00 175.02 171.85 1y2g s ASN 14 N -3.22 0.82 -0.22 -1.18 0.01 0.17 -1.12 114.94 110.20 1y2g s ASN 14 Ca 0.37 -1.00 0.00 0.00 -0.71 0.00 0.00 52.86 51.53 1y2g s ASN 14 Cb 0.07 0.14 0.06 0.00 0.41 0.00 0.00 41.25 41.94 1y2g s ASN 14 CO 0.12 -0.53 -0.05 -0.69 -1.51 0.00 0.00 177.10 174.45 1y2g s VAL 15 N -3.73 1.40 0.26 1.60 1.01 -0.76 -0.36 120.40 119.81 1y2g s VAL 15 Ca 0.09 -1.10 0.11 0.00 0.00 0.00 0.00 61.98 61.08 1y2g s VAL 15 Cb 0.06 -1.68 -0.05 0.00 0.00 0.00 0.00 36.38 34.72 1y2g s VAL 15 CO -0.07 -0.09 -0.17 0.00 0.00 0.00 0.00 175.10 174.77 1y2g s ALA 16 N 1.46 2.80 0.53 5.51 0.00 -0.07 -1.11 121.76 130.88 1y2g s ALA 16 Ca -0.05 -1.77 -0.14 0.00 0.00 0.00 0.00 51.96 50.00 1y2g s ALA 16 Cb -0.18 -0.39 -0.07 0.00 0.00 0.00 0.00 23.12 22.48 1y2g s ALA 16 CO -0.07 0.32 0.97 0.00 0.00 0.00 0.00 175.76 176.98 1y2g s ALA 17 N -2.28 3.11 0.70 0.00 0.00 -0.25 -0.38 121.76 122.66 1y2g s ALA 17 Ca 0.28 0.05 -0.16 0.00 0.00 0.00 0.00 51.96 52.13 1y2g s ALA 17 Cb -0.06 -3.05 0.02 0.00 0.00 0.00 0.00 23.12 20.03 1y2g s ALA 17 CO 0.15 -0.35 1.22 -1.01 0.00 0.00 0.00 175.76 175.78 1y2g s HIS 18 N -2.76 2.08 0.34 0.00 0.09 -1.26 -4.85 115.29 108.93 1y2g s HIS 18 Ca 0.57 1.57 -0.29 0.00 -0.00 0.00 0.00 55.06 56.91 1y2g s HIS 18 Cb -0.10 -3.51 -0.12 0.00 -0.00 0.00 0.00 32.58 28.85 1y2g s HIS 18 CO 0.38 -2.63 1.44 1.58 -0.00 0.00 0.00 174.74 175.51 1y2g n HIS 19 N -2.47 2.67 -0.70 1.40 -0.00 -1.26 -1.85 115.22 113.00 1y2g n HIS 19 Ca 0.14 0.45 0.00 0.00 0.46 0.00 0.00 57.72 58.76 1y2g n HIS 19 Cb 0.50 -2.50 0.00 0.00 -0.12 0.00 0.00 29.99 27.87 1y2g n HIS 19 CO 0.00 0.00 0.00 0.41 0.46 0.00 0.00 176.34 177.21 1y2g n GLY 20 N 1.01 0.64 3.40 1.57 0.00 -1.26 -5.03 105.19 105.52 1y2g n GLY 20 Ca 0.05 -0.11 -0.10 0.00 0.00 0.00 0.00 46.02 45.86 1y2g n GLY 20 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 1y2g s SER 21 N -2.10 -0.02 0.13 1.61 0.15 -0.77 -5.18 113.70 107.52 1y2g s SER 21 Ca 0.00 -0.85 0.04 0.00 0.70 0.00 0.00 55.95 55.84 1y2g s SER 21 Cb 0.00 0.48 -0.04 0.00 -1.71 0.00 0.00 66.02 64.75 1y2g s SER 21 CO 0.00 -0.96 -0.10 -1.61 1.20 0.00 0.00 173.24 171.77 1y2g s GLU 22 N -3.97 0.98 0.30 5.44 2.02 -1.26 -4.54 118.70 117.67 1y2g s GLU 22 Ca 0.18 -1.36 -0.24 0.00 0.02 0.00 0.00 54.97 53.57 1y2g s GLU 22 Cb 0.02 -0.57 -0.10 0.00 0.10 0.00 0.00 34.13 33.59 1y2g s GLU 22 CO 0.02 0.07 0.88 -0.51 0.02 0.00 0.00 175.26 175.74 1y2g s LEU 23 N -2.95 4.31 -0.45 1.80 1.43 0.86 -4.82 118.68 118.87 1y2g s LEU 23 Ca 0.13 1.71 -0.28 0.00 -1.03 0.00 0.00 54.13 54.66 1y2g s LEU 23 Cb 0.01 -3.94 0.00 0.00 0.03 0.00 0.00 46.19 42.30 1y2g s LEU 23 CO -0.00 -0.06 1.51 0.21 0.23 0.00 0.00 176.35 178.24 1y2g s ASN 24 N -1.67 6.13 0.27 2.29 3.04 -1.26 -1.80 114.94 121.94 1y2g s ASN 24 Ca 0.49 0.74 -0.00 0.00 0.04 0.00 0.00 52.86 54.13 1y2g s ASN 24 Cb -0.17 -2.54 0.55 0.00 -1.54 0.00 0.00 41.25 37.54 1y2g s ASN 24 CO 0.22 -1.62 1.77 1.23 -3.04 0.00 0.00 177.10 175.66 1y2g h GLY 25 N 12.97 1.42 0.27 1.21 0.00 -1.58 0.17 103.07 117.52 1y2g h GLY 25 Ca -0.28 -0.27 0.07 0.00 0.00 0.00 0.00 47.33 46.84 1y2g h GLY 25 CO 1.11 -0.02 -0.13 -2.09 0.00 0.00 0.00 176.54 175.40 1y2g h GLU 26 N 0.66 -0.08 -0.21 4.80 4.81 -1.75 0.60 114.58 123.41 1y2g h GLU 26 Ca 0.47 0.01 -0.18 0.00 -0.13 0.00 0.00 59.36 59.53 1y2g h GLU 26 Cb 0.66 0.02 -0.00 0.00 0.63 0.00 0.00 28.75 30.05 1y2g h GLU 26 CO -0.36 -0.05 -0.60 1.25 -0.73 0.00 0.00 179.01 178.52 1y2g h LEU 27 N -0.08 0.77 -0.31 1.64 5.85 -1.71 -3.18 115.31 118.29 1y2g h LEU 27 Ca 0.16 -0.44 0.05 0.00 0.84 0.00 0.00 57.88 58.49 1y2g h LEU 27 Cb 0.32 -0.22 -0.05 0.00 0.37 0.00 0.00 40.66 41.08 1y2g h LEU 27 CO -0.36 1.19 0.02 0.25 -0.34 0.00 0.00 178.44 179.21 1y2g h LEU 28 N 0.51 -0.07 -1.43 2.25 5.85 0.06 -1.57 115.31 120.92 1y2g h LEU 28 Ca -0.00 0.06 0.05 0.00 0.84 0.00 0.00 57.88 58.83 1y2g h LEU 28 Cb 1.18 0.10 -0.04 0.00 0.37 0.00 0.00 40.66 42.27 1y2g h LEU 28 CO 0.12 0.00 0.43 -0.07 -0.34 0.00 0.00 178.44 178.58 1y2g h LEU 29 N 0.12 0.62 -0.21 2.25 3.38 -0.92 -0.49 115.31 120.07 1y2g h LEU 29 Ca 0.15 -0.00 -0.10 0.00 0.09 0.00 0.00 57.88 58.02 1y2g h LEU 29 Cb 0.18 -0.14 -0.00 0.00 0.09 0.00 0.00 40.66 40.79 1y2g h LEU 29 CO -0.22 0.42 -0.25 0.78 0.09 0.00 0.00 178.44 179.25 1y2g h ASN 30 N 0.72 0.58 -0.05 -0.43 2.35 -1.33 -1.92 115.58 115.50 1y2g h ASN 30 Ca 0.27 -0.49 -0.08 0.00 -0.55 0.00 0.00 56.30 55.44 1y2g h ASN 30 Cb 0.16 -0.17 -0.01 0.00 0.05 0.00 0.00 38.32 38.35 1y2g h ASN 30 CO -0.08 0.96 -0.21 0.77 -1.65 0.00 0.00 177.43 177.22 1y2g h SER 31 N 0.22 0.44 -0.45 5.81 4.64 -0.95 -0.15 113.55 123.11 1y2g h SER 31 Ca 0.03 -0.13 -0.01 0.00 -0.47 0.00 0.00 61.79 61.20 1y2g h SER 31 Cb 0.81 -0.12 -0.02 0.00 -0.31 0.00 0.00 62.40 62.76 1y2g h SER 31 CO 0.06 0.66 0.24 0.40 -0.87 0.00 0.00 176.83 177.32 1y2g h ILE 32 N 0.40 1.17 -0.20 0.95 2.04 -1.01 0.78 117.51 121.64 1y2g h ILE 32 Ca 0.06 -0.45 -0.00 0.00 1.00 0.00 0.00 64.86 65.48 1y2g h ILE 32 Cb 0.60 0.64 -0.01 0.00 -0.74 0.00 0.00 36.82 37.31 1y2g h ILE 32 CO 0.04 0.18 0.12 1.56 0.00 0.00 0.00 178.15 180.05 1y2g h GLN 33 N 0.59 0.28 -0.81 2.37 4.20 -0.81 -2.52 115.11 118.40 1y2g h GLN 33 Ca 0.16 -0.03 0.02 0.00 0.06 0.00 0.00 58.65 58.86 1y2g h GLN 33 Cb 0.07 -0.06 -0.04 0.00 0.30 0.00 0.00 27.48 27.75 1y2g h GLN 33 CO -0.02 0.24 0.53 1.96 -0.67 0.00 0.00 178.83 180.88 1y2g h GLN 34 N 0.23 1.01 0.00 1.46 4.20 -0.73 -0.87 115.11 120.41 1y2g h GLN 34 Ca 0.07 -0.06 0.00 0.00 0.06 0.00 0.00 58.65 58.72 1y2g h GLN 34 Cb 0.04 -0.23 0.00 0.00 0.30 0.00 0.00 27.48 27.60 1y2g h GLN 34 CO -0.01 0.67 0.00 0.00 -0.67 0.00 0.00 178.83 178.81 1y2g n ALA 35 N -2.41 1.67 -0.37 3.87 0.00 0.24 -4.81 120.51 118.70 1y2g n ALA 35 Ca 0.10 -0.05 0.00 0.00 0.00 0.00 0.00 53.44 53.49 1y2g n ALA 35 Cb 0.08 -1.14 0.00 0.00 0.00 0.00 0.00 19.45 18.39 1y2g n ALA 35 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1y2g n GLY 36 N -0.51 0.73 3.77 0.00 0.00 -0.33 -4.96 105.19 103.90 1y2g n GLY 36 Ca 0.05 0.00 -0.38 0.00 0.00 0.00 0.00 46.02 45.69 1y2g n GLY 36 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 1y2g s PHE 37 N -2.48 3.48 -0.10 1.61 0.40 -1.01 -4.62 117.98 115.27 1y2g s PHE 37 Ca 0.00 1.71 0.02 0.00 -0.60 0.00 0.00 56.93 58.06 1y2g s PHE 37 Cb 0.00 -3.10 0.01 0.00 0.51 0.00 0.00 43.02 40.44 1y2g s PHE 37 CO 0.00 -0.33 -0.17 -1.50 0.70 0.00 0.00 175.22 173.92 1y2g s ILE 38 N -1.52 1.57 0.23 0.64 1.10 0.60 -4.48 121.20 119.33 1y2g s ILE 38 Ca 0.52 -0.71 -0.31 0.00 -0.51 0.00 0.00 60.65 59.64 1y2g s ILE 38 Cb -0.23 -1.40 -0.11 0.00 0.15 0.00 0.00 42.46 40.86 1y2g s ILE 38 CO 0.30 0.45 1.64 0.12 -2.11 0.00 0.00 174.94 175.34 1y2g s PHE 39 N 0.72 2.90 0.00 3.50 2.19 -1.26 -1.63 117.98 124.39 1y2g s PHE 39 Ca -0.12 0.55 0.00 0.00 0.33 0.00 0.00 56.93 57.69 1y2g s PHE 39 Cb -0.16 -4.07 0.00 0.00 -1.31 0.00 0.00 43.02 37.48 1y2g s PHE 39 CO 0.03 -3.87 0.00 0.41 1.83 0.00 0.00 175.22 173.62 1y2g n GLY 40 N 3.35 4.29 3.69 13.12 0.00 -0.18 -4.93 105.19 124.54 1y2g n GLY 40 Ca 0.13 -0.36 -0.40 0.00 0.00 0.00 0.00 46.02 45.39 1y2g n GLY 40 CO 0.00 0.00 0.00 2.09 0.00 0.00 0.00 173.32 175.41 1y2g n ASP 41 N 0.00 2.27 -0.25 1.61 5.75 -1.26 -1.97 116.55 122.70 1y2g n ASP 41 Ca 0.00 1.03 -0.03 0.00 -0.01 0.00 0.00 54.79 55.78 1y2g n ASP 41 Cb 0.00 -1.50 -0.01 0.00 -1.03 0.00 0.00 41.12 38.58 1y2g n ASP 41 CO 0.00 0.00 0.00 0.23 -0.11 0.00 0.00 177.20 177.32 1y2g n MET 42 N -0.35 -0.74 -3.00 0.11 2.81 -1.26 -3.43 117.12 111.26 1y2g n MET 42 Ca 0.09 0.43 -0.22 0.00 -1.81 0.00 0.00 57.70 56.19 1y2g n MET 42 Cb 0.42 -4.15 0.03 0.00 -0.71 0.00 0.00 33.22 28.81 1y2g n MET 42 CO 0.00 0.00 0.00 0.09 1.51 0.00 0.00 175.97 177.57 1y2g n ASN 43 N -0.03 -5.99 -4.18 7.83 3.02 -0.83 -4.86 115.26 110.22 1y2g n ASN 43 Ca -0.03 -0.27 -0.23 0.00 -0.03 0.00 0.00 54.58 54.01 1y2g n ASN 43 Cb 0.24 -4.85 -0.09 0.00 -0.61 0.00 0.00 39.78 34.46 1y2g n ASN 43 CO 0.00 0.00 0.00 0.27 -2.62 0.00 0.00 177.26 174.91 1y2g s ILE 44 N -3.16 0.69 0.17 2.41 -4.36 -1.22 -1.92 121.20 113.81 1y2g s ILE 44 Ca 0.29 -2.00 -0.05 0.00 -0.26 0.00 0.00 60.65 58.63 1y2g s ILE 44 Cb -0.13 -2.48 -0.06 0.00 1.25 0.00 0.00 42.46 41.04 1y2g s ILE 44 CO 0.36 0.00 0.41 -0.31 0.24 0.00 0.00 174.94 175.64 1y2g s TYR 45 N -3.30 3.47 0.01 1.37 1.51 -0.76 -1.01 117.35 118.63 1y2g s TYR 45 Ca 0.29 0.59 0.00 0.00 -1.01 0.00 0.00 57.07 56.94 1y2g s TYR 45 Cb 0.04 -2.04 -0.01 0.00 -0.11 0.00 0.00 41.96 39.85 1y2g s TYR 45 CO 0.15 0.39 -0.02 -1.01 -1.11 0.00 0.00 175.55 173.95 1y2g s HIS 46 N -1.72 0.19 -0.31 2.71 3.76 -0.65 -0.56 115.29 118.71 1y2g s HIS 46 Ca 0.42 -0.18 -0.06 0.00 -0.15 0.00 0.00 55.06 55.08 1y2g s HIS 46 Cb -0.12 -0.13 0.03 0.00 1.11 0.00 0.00 32.58 33.47 1y2g s HIS 46 CO 0.25 -0.05 0.08 0.50 -0.85 0.00 0.00 174.74 174.66 1y2g s ARG 47 N -0.50 2.82 0.58 1.40 6.06 -0.39 -0.29 118.95 128.62 1y2g s ARG 47 Ca -0.04 -1.04 -0.03 0.00 -2.50 0.00 0.00 55.73 52.11 1y2g s ARG 47 Cb -0.04 -3.39 0.02 0.00 0.06 0.00 0.00 34.95 31.61 1y2g s ARG 47 CO -0.00 -0.56 0.86 -1.01 -2.50 0.00 0.00 175.30 172.08 1y2g s HIS 48 N 1.43 3.07 0.03 5.12 3.76 -1.26 0.14 115.29 127.59 1y2g s HIS 48 Ca 0.00 0.36 -0.18 0.00 -0.15 0.00 0.00 55.06 55.09 1y2g s HIS 48 Cb -0.18 -2.77 -0.10 0.00 1.11 0.00 0.00 32.58 30.63 1y2g s HIS 48 CO 0.02 -0.89 1.27 1.25 -0.85 0.00 0.00 174.74 175.54 1y2g h LEU 49 N -0.11 -0.57 -9.62 0.89 5.85 -1.74 -3.41 115.31 106.61 1y2g h LEU 49 Ca -0.45 0.02 -0.53 0.00 0.84 0.00 0.00 57.88 57.77 1y2g h LEU 49 Cb 1.28 0.15 0.03 0.00 0.37 0.00 0.00 40.66 42.49 1y2g h LEU 49 CO 0.58 -0.39 0.71 -0.44 -0.34 0.00 0.00 178.44 178.55 1y2g s SER 50 N -2.98 6.82 0.00 1.25 0.01 -1.23 -4.88 113.70 112.69 1y2g s SER 50 Ca -0.10 2.41 0.00 0.00 1.31 0.00 0.00 55.95 59.57 1y2g s SER 50 Cb 0.01 -2.60 0.00 0.00 0.21 0.00 0.00 66.02 63.64 1y2g s SER 50 CO 0.29 -0.62 1.05 -2.65 0.41 0.00 0.00 173.24 171.72 1y2g n PRO 51 N 3.27 0.65 -0.15 12.44 -0.02 -1.26 -3.05 135.00 146.89 1y2g n PRO 51 Ca 0.09 0.00 0.00 0.00 -2.02 0.00 0.00 63.50 61.57 1y2g n PRO 51 Cb 0.42 -1.17 0.00 0.00 -0.02 0.00 0.00 33.50 32.73 1y2g n PRO 51 CO 0.00 0.00 0.00 -0.40 1.98 0.00 0.00 175.50 177.08 1y2g n ASP 52 N 1.27 0.21 0.00 2.55 3.85 -1.26 -4.96 116.55 118.22 1y2g n ASP 52 Ca 0.00 -1.43 0.00 0.00 -0.71 0.00 0.00 54.79 52.65 1y2g n ASP 52 Cb 0.33 -0.07 0.00 0.00 -1.35 0.00 0.00 41.12 40.02 1y2g n ASP 52 CO 0.00 0.00 0.00 0.61 -1.01 0.00 0.00 177.20 176.80 1y2g n GLY 53 N -0.08 0.47 3.69 6.12 0.00 -1.17 -5.01 105.19 109.21 1y2g n GLY 53 Ca 0.01 -0.32 -0.40 0.00 0.00 0.00 0.00 46.02 45.31 1y2g n GLY 53 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 1y2g s SER 54 N -2.29 6.93 0.00 1.61 0.15 -1.25 -4.92 113.70 113.93 1y2g s SER 54 Ca 0.00 1.12 0.00 0.00 0.70 0.00 0.00 55.95 57.77 1y2g s SER 54 Cb 0.00 -2.41 0.00 0.00 -1.71 0.00 0.00 66.02 61.90 1y2g s SER 54 CO 0.00 -0.21 0.00 0.61 1.20 0.00 0.00 173.24 174.84 1y2g n GLY 55 N 3.32 -1.89 3.81 9.45 0.00 -1.26 -3.53 105.19 115.08 1y2g n GLY 55 Ca 0.00 -1.73 -0.30 0.00 0.00 0.00 0.00 46.02 43.99 1y2g n GLY 55 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 1y2g s PRO 56 N 0.00 2.49 0.02 1.61 0.04 -1.26 -4.88 135.00 133.03 1y2g s PRO 56 Ca 0.00 0.79 -0.26 0.00 0.04 0.00 0.00 61.00 61.56 1y2g s PRO 56 Cb 0.00 -1.95 -0.05 0.00 0.04 0.00 0.00 34.50 32.54 1y2g s PRO 56 CO 0.00 -1.37 0.83 0.00 0.04 0.00 0.00 177.00 176.50 1y2g s ALA 57 N -3.11 3.30 0.04 8.56 0.00 -1.26 -3.37 121.76 125.92 1y2g s ALA 57 Ca 0.59 0.35 -0.14 0.00 0.00 0.00 0.00 51.96 52.77 1y2g s ALA 57 Cb -0.14 -3.10 -0.34 0.00 0.00 0.00 0.00 23.12 19.54 1y2g s ALA 57 CO 0.55 -0.05 1.04 -0.07 0.00 0.00 0.00 175.76 177.23 1y2g h LEU 58 N 6.14 0.78 -7.23 0.00 3.38 -0.60 -3.48 115.31 114.29 1y2g h LEU 58 Ca -0.42 -0.82 0.05 0.00 0.09 0.00 0.00 57.88 56.78 1y2g h LEU 58 Cb 1.21 -0.25 -0.11 0.00 0.09 0.00 0.00 40.66 41.59 1y2g h LEU 58 CO 0.73 1.64 0.32 0.72 0.09 0.00 0.00 178.44 181.94 1y2g s PHE 59 N -2.66 -0.38 0.35 1.13 -0.12 -1.20 -4.74 117.98 110.36 1y2g s PHE 59 Ca -0.08 0.14 0.04 0.00 -0.05 0.00 0.00 56.93 56.99 1y2g s PHE 59 Cb 0.05 0.59 -0.06 0.00 -0.63 0.00 0.00 43.02 42.96 1y2g s PHE 59 CO 0.94 -0.83 0.05 -1.12 -0.05 0.00 0.00 175.22 174.21 1y2g s SER 60 N -2.72 2.76 -0.04 1.98 0.01 -0.30 -1.26 113.70 114.12 1y2g s SER 60 Ca 0.05 -1.40 -0.01 0.00 1.31 0.00 0.00 55.95 55.90 1y2g s SER 60 Cb -0.02 -0.11 0.03 0.00 0.21 0.00 0.00 66.02 66.13 1y2g s SER 60 CO -0.07 -0.60 0.04 -0.22 0.41 0.00 0.00 173.24 172.80 1y2g s LEU 61 N -3.55 0.52 0.32 2.44 0.20 0.27 -1.14 118.68 117.74 1y2g s LEU 61 Ca 0.35 0.04 0.10 0.00 0.69 0.00 0.00 54.13 55.31 1y2g s LEU 61 Cb 0.09 -0.18 -0.06 0.00 -0.43 0.00 0.00 46.19 45.61 1y2g s LEU 61 CO 0.16 -0.20 -0.12 0.00 -0.29 0.00 0.00 176.35 175.89 1y2g s ALA 62 N 1.78 2.90 0.20 5.97 0.00 0.64 -1.83 121.76 131.42 1y2g s ALA 62 Ca 0.00 -2.00 -0.26 0.00 0.00 0.00 0.00 51.96 49.70 1y2g s ALA 62 Cb -0.12 -0.15 -0.08 0.00 0.00 0.00 0.00 23.12 22.76 1y2g s ALA 62 CO -0.03 0.15 0.83 1.21 0.00 0.00 0.00 175.76 177.92 1y2g s ASN 63 N -3.58 7.44 0.38 0.00 3.04 -0.29 -0.13 114.94 121.80 1y2g s ASN 63 Ca 0.32 1.72 0.16 0.00 0.04 0.00 0.00 52.86 55.10 1y2g s ASN 63 Cb -0.01 -2.53 0.78 0.00 -1.54 0.00 0.00 41.25 37.96 1y2g s ASN 63 CO 0.16 0.17 1.81 0.24 -3.04 0.00 0.00 177.10 176.44 1y2g h MET 64 N 4.15 0.00 -6.27 0.43 2.86 -1.62 -3.36 114.93 111.13 1y2g h MET 64 Ca -0.47 0.00 -0.56 0.00 -2.06 0.00 0.00 59.70 56.62 1y2g h MET 64 Cb 1.20 0.00 -0.03 0.00 0.06 0.00 0.00 31.60 32.84 1y2g h MET 64 CO 0.66 0.36 0.73 0.08 1.06 0.00 0.00 176.91 179.81 1y2g s VAL 65 N -3.95 4.33 0.67 -2.22 1.01 -1.26 -4.79 120.40 114.18 1y2g s VAL 65 Ca -0.02 1.63 -0.17 0.00 0.00 0.00 0.00 61.98 63.42 1y2g s VAL 65 Cb 0.13 -4.05 -0.00 0.00 0.00 0.00 0.00 36.38 32.46 1y2g s VAL 65 CO 0.70 -0.03 1.21 0.29 0.00 0.00 0.00 175.10 177.26 1y2g n LYS 66 N 5.50 0.92 0.00 2.72 5.02 -1.26 0.06 118.16 131.12 1y2g n LYS 66 Ca 0.11 0.37 0.03 0.00 -2.02 0.00 0.00 58.31 56.81 1y2g n LYS 66 Cb 0.46 -2.45 0.18 0.00 -0.02 0.00 0.00 35.03 33.20 1y2g n LYS 66 CO 0.00 0.00 0.00 -0.35 -0.52 0.00 0.00 177.40 176.53 1y2g n PRO 67 N -1.95 0.71 -0.08 1.97 -0.04 -1.26 -4.80 135.00 129.55 1y2g n PRO 67 Ca 0.15 0.00 0.00 0.00 -0.04 0.00 0.00 63.50 63.61 1y2g n PRO 67 Cb 0.48 -1.13 0.00 0.00 -0.04 0.00 0.00 33.50 32.81 1y2g n PRO 67 CO 0.00 0.00 0.00 0.41 -0.04 0.00 0.00 175.50 175.87 1y2g n GLY 68 N 0.27 0.96 3.99 0.55 0.00 0.11 -5.01 105.19 106.06 1y2g n GLY 68 Ca 0.04 -0.01 -0.21 0.00 0.00 0.00 0.00 46.02 45.85 1y2g n GLY 68 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 1y2g s THR 69 N -2.00 2.23 0.12 2.61 -4.23 -1.26 -1.14 115.64 111.99 1y2g s THR 69 Ca 0.00 -1.13 0.06 0.00 -1.18 0.00 0.00 61.69 59.44 1y2g s THR 69 Cb 0.00 -2.37 -0.04 0.00 1.34 0.00 0.00 72.50 71.44 1y2g s THR 69 CO 0.00 0.00 -0.15 -0.36 -0.54 0.00 0.00 174.62 173.57 1y2g s PHE 70 N -2.62 1.48 -0.35 3.99 0.40 -0.81 -4.57 117.98 115.52 1y2g s PHE 70 Ca 0.54 -0.53 0.03 0.00 -0.60 0.00 0.00 56.93 56.38 1y2g s PHE 70 Cb -0.05 -0.77 0.10 0.00 0.51 0.00 0.00 43.02 42.80 1y2g s PHE 70 CO 0.33 0.17 0.07 0.34 0.70 0.00 0.00 175.22 176.84 1y2g s ASP 71 N -2.40 4.63 0.43 1.36 2.15 -1.26 -4.87 116.67 116.70 1y2g s ASP 71 Ca 0.09 -2.15 0.16 0.00 0.43 0.00 0.00 52.55 51.09 1y2g s ASP 71 Cb -0.06 -1.52 1.07 0.00 -0.30 0.00 0.00 42.92 42.11 1y2g s ASP 71 CO 0.04 -0.37 1.90 -0.65 -0.17 0.00 0.00 175.17 175.91 1y2g h PRO 72 N 7.60 0.39 -0.89 4.34 0.11 -1.99 -0.84 132.00 140.72 1y2g h PRO 72 Ca -0.05 -0.02 -0.36 0.00 0.11 0.00 0.00 66.00 65.67 1y2g h PRO 72 Cb 1.01 -0.09 -0.21 0.00 0.11 0.00 0.00 31.00 31.82 1y2g h PRO 72 CO 0.52 0.26 0.45 0.39 -0.21 0.00 0.00 178.00 179.42 1y2g n GLU 73 N -4.48 2.87 -3.45 1.05 4.71 -1.26 -4.86 120.64 115.22 1y2g n GLU 73 Ca 0.16 -2.88 -0.39 0.00 -0.01 0.00 0.00 57.16 54.03 1y2g n GLU 73 Cb 0.58 -2.15 -0.10 0.00 -1.01 0.00 0.00 31.44 28.77 1y2g n GLU 73 CO 0.00 0.00 0.00 1.41 0.09 0.00 0.00 177.13 178.63 1y2g s MET 74 N -2.99 3.96 -0.16 3.49 1.75 -0.32 -4.95 119.30 120.07 1y2g s MET 74 Ca 0.53 -0.10 -0.17 0.00 -1.25 0.00 0.00 55.69 54.70 1y2g s MET 74 Cb 0.44 -3.67 -0.23 0.00 2.84 0.00 0.00 34.83 34.21 1y2g s MET 74 CO 0.12 -0.27 0.35 0.87 -0.65 0.00 0.00 175.02 175.44 1y2g h LYS 75 N 8.25 0.12 0.00 4.11 1.57 -1.89 -3.45 116.57 125.28 1y2g h LYS 75 Ca -0.32 -0.20 0.00 0.00 -1.87 0.00 0.00 60.65 58.26 1y2g h LYS 75 Cb 1.17 0.07 0.00 0.00 0.08 0.00 0.00 32.23 33.55 1y2g h LYS 75 CO 0.62 1.09 0.00 -0.25 -0.57 0.00 0.00 179.45 180.34 1y2g n ASP 76 N -4.11 0.00 -0.21 0.86 10.43 -1.26 -4.30 116.55 117.96 1y2g n ASP 76 Ca -0.30 0.10 -0.02 0.00 2.57 0.00 0.00 54.79 57.15 1y2g n ASP 76 Cb 0.81 0.00 0.00 0.00 1.84 0.00 0.00 41.12 43.77 1y2g n ASP 76 CO 0.00 0.00 0.00 2.22 -1.07 0.00 0.00 177.20 178.35 1y2g n PHE 77 N -0.21 -0.23 -3.90 1.24 1.16 -1.26 -4.72 117.46 109.53 1y2g n PHE 77 Ca 0.00 0.01 -0.11 0.00 -1.87 0.00 0.00 57.45 55.48 1y2g n PHE 77 Cb 0.00 -0.08 -0.10 0.00 -1.61 0.00 0.00 39.48 37.69 1y2g n PHE 77 CO 0.00 0.00 0.00 0.95 -1.87 0.00 0.00 176.76 175.84 1y2g s THR 78 N -0.10 0.09 0.02 1.97 -4.23 -1.26 -1.59 115.64 110.53 1y2g s THR 78 Ca 0.02 -0.72 -0.01 0.00 -1.18 0.00 0.00 61.69 59.81 1y2g s THR 78 Cb -0.01 -0.38 -0.02 0.00 1.34 0.00 0.00 72.50 73.43 1y2g s THR 78 CO 0.04 -0.40 -0.01 0.28 -0.54 0.00 0.00 174.62 173.99 1y2g s THR 79 N -1.34 0.12 0.29 3.99 -1.32 -0.74 -4.85 115.64 111.79 1y2g s THR 79 Ca -0.14 -1.01 0.36 0.00 -1.21 0.00 0.00 61.69 59.69 1y2g s THR 79 Cb -0.08 -0.44 0.38 0.00 -1.51 0.00 0.00 72.50 70.85 1y2g s THR 79 CO 0.01 -0.55 2.11 -0.65 -2.21 0.00 0.00 174.62 173.32 1y2g h PRO 80 N 4.42 0.00 0.00 7.08 0.11 -1.89 0.25 132.00 141.96 1y2g h PRO 80 Ca -0.32 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.79 1y2g h PRO 80 Cb 1.20 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.31 1y2g h PRO 80 CO 0.44 0.00 0.00 0.41 -0.21 0.00 0.00 178.00 178.64 1y2g n GLY 81 N -0.79 -0.77 3.29 -0.55 0.00 -1.26 -1.09 105.19 104.02 1y2g n GLY 81 Ca -0.02 -1.45 -0.15 0.00 0.00 0.00 0.00 46.02 44.40 1y2g n GLY 81 CO 0.00 0.00 0.00 -1.34 0.00 0.00 0.00 173.32 171.98 1y2g s VAL 82 N -2.57 0.88 -0.10 1.61 -7.23 -0.27 -1.63 120.40 111.09 1y2g s VAL 82 Ca 0.00 -2.01 0.02 0.00 -1.81 0.00 0.00 61.98 58.18 1y2g s VAL 82 Cb 0.00 -2.24 0.01 0.00 0.56 0.00 0.00 36.38 34.71 1y2g s VAL 82 CO 0.00 -0.39 -0.17 -0.89 -0.31 0.00 0.00 175.10 173.33 1y2g s THR 83 N -3.52 1.62 -0.20 5.32 2.01 0.82 -1.83 115.64 119.86 1y2g s THR 83 Ca 0.26 -0.74 -0.04 0.00 0.31 0.00 0.00 61.69 61.49 1y2g s THR 83 Cb 0.06 -1.45 -0.02 0.00 0.01 0.00 0.00 72.50 71.10 1y2g s THR 83 CO 0.07 0.46 -0.04 -0.63 -0.69 0.00 0.00 174.62 173.79 1y2g s ILE 84 N 0.75 3.55 0.08 1.82 1.01 -0.28 -0.26 121.20 127.87 1y2g s ILE 84 Ca -0.11 -0.45 0.03 0.00 0.00 0.00 0.00 60.65 60.12 1y2g s ILE 84 Cb -0.16 -2.59 -0.03 0.00 0.01 0.00 0.00 42.46 39.69 1y2g s ILE 84 CO 0.02 0.44 -0.09 0.72 0.00 0.00 0.00 174.94 176.03 1y2g s PHE 85 N 1.09 0.92 -0.04 3.97 -0.71 -0.29 -1.36 117.98 121.56 1y2g s PHE 85 Ca 0.01 -0.62 -0.01 0.00 -1.04 0.00 0.00 56.93 55.27 1y2g s PHE 85 Cb -0.15 -0.52 0.03 0.00 -1.21 0.00 0.00 43.02 41.17 1y2g s PHE 85 CO 0.00 -0.04 0.04 1.41 -1.34 0.00 0.00 175.22 175.28 1y2g s MET 86 N -2.44 0.14 -0.17 1.99 1.75 0.05 -1.15 119.30 119.48 1y2g s MET 86 Ca 0.01 0.26 -0.24 0.00 -1.25 0.00 0.00 55.69 54.46 1y2g s MET 86 Cb -0.05 -0.60 -0.02 0.00 2.84 0.00 0.00 34.83 37.00 1y2g s MET 86 CO -0.00 -0.28 0.77 -1.14 -0.65 0.00 0.00 175.02 173.71 1y2g s GLN 87 N 1.88 4.29 0.14 4.11 2.00 -1.26 0.02 119.66 130.84 1y2g s GLN 87 Ca 0.02 0.90 0.11 0.00 -2.00 0.00 0.00 55.36 54.38 1y2g s GLN 87 Cb -0.12 -3.56 -0.04 0.00 0.80 0.00 0.00 33.01 30.08 1y2g s GLN 87 CO -0.03 -0.27 -0.25 0.14 -0.50 0.00 0.00 175.29 174.38 1y2g s VAL 88 N 1.96 2.18 0.86 1.34 -7.23 0.71 -4.20 120.40 116.03 1y2g s VAL 88 Ca 0.36 -1.81 -0.12 0.00 -1.81 0.00 0.00 61.98 58.60 1y2g s VAL 88 Cb -0.16 -1.96 0.11 0.00 0.56 0.00 0.00 36.38 34.92 1y2g s VAL 88 CO 0.12 -0.01 1.12 -2.16 -0.31 0.00 0.00 175.10 173.87 1y2g s PRO 89 N -2.24 1.58 0.00 4.82 0.04 -1.26 -0.93 135.00 137.01 1y2g s PRO 89 Ca 0.15 0.42 0.00 0.00 0.04 0.00 0.00 61.00 61.61 1y2g s PRO 89 Cb -0.09 -1.88 0.00 0.00 0.04 0.00 0.00 34.50 32.57 1y2g s PRO 89 CO 0.07 -1.92 0.00 -1.13 0.04 0.00 0.00 177.00 174.05 1y2g n SER 90 N -3.60 0.00 -1.69 6.66 3.41 -1.26 -5.01 113.62 112.13 1y2g n SER 90 Ca 0.07 0.00 0.07 0.00 -0.26 0.00 0.00 58.87 58.74 1y2g n SER 90 Cb 0.58 0.00 0.36 0.00 -0.26 0.00 0.00 64.21 64.89 1y2g n SER 90 CO 0.00 0.00 0.00 -1.22 -0.16 0.00 0.00 175.04 173.66 1y2g n TYR 91 N 0.00 1.76 -0.67 7.33 4.02 -1.26 -4.93 117.16 123.41 1y2g n TYR 91 Ca 0.00 -0.62 0.00 0.00 -0.01 0.00 0.00 57.90 57.27 1y2g n TYR 91 Cb 0.00 -0.42 0.00 0.00 -0.02 0.00 0.00 39.34 38.90 1y2g n TYR 91 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 176.86 176.26 1y2g n GLY 92 N 0.67 0.91 1.56 2.72 0.00 -1.26 -4.88 105.19 104.92 1y2g n GLY 92 Ca 0.25 0.00 -0.04 0.00 0.00 0.00 0.00 46.02 46.22 1y2g n GLY 92 CO 0.00 0.00 0.00 1.34 0.00 0.00 0.00 173.32 174.66 1y2g n ASP 93 N 0.00 2.47 -0.28 1.61 2.03 -1.26 -4.90 116.55 116.23 1y2g n ASP 93 Ca 0.00 -3.17 0.02 0.00 0.52 0.00 0.00 54.79 52.15 1y2g n ASP 93 Cb 0.00 -0.42 0.15 0.00 -0.72 0.00 0.00 41.12 40.13 1y2g n ASP 93 CO 0.00 0.00 0.00 -0.33 -1.92 0.00 0.00 177.20 174.95 1y2g h GLU 94 N 1.61 0.76 -0.73 -0.67 3.07 -1.97 -0.91 114.58 115.74 1y2g h GLU 94 Ca 0.04 -0.05 -0.01 0.00 -0.50 0.00 0.00 59.36 58.84 1y2g h GLU 94 Cb 1.38 -0.17 -0.03 0.00 -0.84 0.00 0.00 28.75 29.08 1y2g h GLU 94 CO 0.27 0.50 0.40 -0.07 -1.40 0.00 0.00 179.01 178.71 1y2g h LEU 95 N 0.78 0.91 -0.34 1.33 3.38 -1.96 0.17 115.31 119.58 1y2g h LEU 95 Ca 0.37 -0.10 -0.07 0.00 0.09 0.00 0.00 57.88 58.17 1y2g h LEU 95 Cb 0.30 -0.23 -0.01 0.00 0.09 0.00 0.00 40.66 40.80 1y2g h LEU 95 CO -0.22 0.74 -0.07 1.56 0.09 0.00 0.00 178.44 180.54 1y2g h GLN 96 N 1.00 0.64 -0.93 1.13 1.08 -1.89 -2.52 115.11 113.63 1y2g h GLN 96 Ca 0.26 -0.24 0.11 0.00 -1.45 0.00 0.00 58.65 57.32 1y2g h GLN 96 Cb 0.03 -0.04 -0.07 0.00 -0.05 0.00 0.00 27.48 27.35 1y2g h GLN 96 CO -0.04 0.80 0.60 -0.91 -0.95 0.00 0.00 178.83 178.33 1y2g h ASN 97 N 0.43 0.84 -0.26 1.46 2.35 -0.78 -1.48 115.58 118.14 1y2g h ASN 97 Ca 0.09 0.03 0.00 0.00 -0.55 0.00 0.00 56.30 55.87 1y2g h ASN 97 Cb 0.56 -0.14 -0.01 0.00 0.05 0.00 0.00 38.32 38.77 1y2g h ASN 97 CO 0.03 0.47 0.17 0.15 -1.65 0.00 0.00 177.43 176.60 1y2g h PHE 98 N 0.91 0.33 -0.51 1.19 3.57 -0.41 0.28 116.94 122.31 1y2g h PHE 98 Ca 0.44 0.01 0.06 0.00 3.53 0.00 0.00 57.97 62.00 1y2g h PHE 98 Cb 0.45 -0.11 -0.05 0.00 2.79 0.00 0.00 35.95 39.03 1y2g h PHE 98 CO -0.00 0.22 0.22 0.87 -2.23 0.00 0.00 178.31 177.39 1y2g h LYS 99 N 0.35 0.42 -0.26 1.11 1.57 -0.95 0.10 116.57 118.92 1y2g h LYS 99 Ca 0.10 -0.03 -0.07 0.00 -1.87 0.00 0.00 60.65 58.78 1y2g h LYS 99 Cb -0.03 -0.09 -0.01 0.00 0.08 0.00 0.00 32.23 32.18 1y2g h LYS 99 CO -0.02 0.28 -0.15 1.25 -0.57 0.00 0.00 179.45 180.24 1y2g h LEU 100 N 0.43 0.42 -0.07 2.94 5.85 -0.91 -1.45 115.31 122.52 1y2g h LEU 100 Ca 0.23 -0.11 -0.01 0.00 0.84 0.00 0.00 57.88 58.84 1y2g h LEU 100 Cb 0.20 -0.11 -0.00 0.00 0.37 0.00 0.00 40.66 41.11 1y2g h LEU 100 CO -0.20 0.60 0.01 -0.03 -0.34 0.00 0.00 178.44 178.48 1y2g h MET 101 N 0.40 0.11 -0.72 1.25 4.05 0.10 -1.72 114.93 118.41 1y2g h MET 101 Ca 0.07 -0.03 -0.00 0.00 -0.28 0.00 0.00 59.70 59.46 1y2g h MET 101 Cb 0.50 -0.01 -0.04 0.00 -0.80 0.00 0.00 31.60 31.25 1y2g h MET 101 CO 0.03 0.32 0.45 1.25 0.23 0.00 0.00 176.91 179.19 1y2g h LEU 102 N -0.11 0.86 -0.79 3.39 5.85 -0.64 -1.91 115.31 121.96 1y2g h LEU 102 Ca 0.02 -0.05 0.03 0.00 0.84 0.00 0.00 57.88 58.72 1y2g h LEU 102 Cb 0.26 -0.22 -0.05 0.00 0.37 0.00 0.00 40.66 41.03 1y2g h LEU 102 CO 0.00 0.66 0.51 1.56 -0.34 0.00 0.00 178.44 180.82 1y2g h GLN 103 N 0.98 0.96 -0.67 1.25 4.20 -1.13 -0.98 115.11 119.73 1y2g h GLN 103 Ca 0.26 -0.06 -0.03 0.00 0.06 0.00 0.00 58.65 58.88 1y2g h GLN 103 Cb -0.05 -0.22 -0.03 0.00 0.30 0.00 0.00 27.48 27.48 1y2g h GLN 103 CO -0.05 0.64 0.30 0.77 -0.67 0.00 0.00 178.83 179.82 1y2g h SER 104 N 0.99 0.89 -0.33 1.46 0.02 -0.90 -0.66 113.55 115.03 1y2g h SER 104 Ca 0.31 -0.15 -0.03 0.00 -0.84 0.00 0.00 61.79 61.08 1y2g h SER 104 Cb -0.00 -0.23 -0.01 0.00 0.14 0.00 0.00 62.40 62.29 1y2g h SER 104 CO -0.11 0.79 0.08 0.00 -1.14 0.00 0.00 176.83 176.46 1y2g h ALA 105 N 1.14 0.44 -0.14 3.77 0.00 -0.74 -1.39 119.26 122.32 1y2g h ALA 105 Ca 0.23 -0.18 -0.11 0.00 0.00 0.00 0.00 54.91 54.85 1y2g h ALA 105 Cb 0.15 -0.13 -0.01 0.00 0.00 0.00 0.00 17.79 17.80 1y2g h ALA 105 CO -0.02 0.10 -0.41 -0.56 0.00 0.00 0.00 179.25 178.35 1y2g h GLN 106 N 0.38 0.32 -0.35 0.00 3.07 -1.06 -0.33 115.11 117.13 1y2g h GLN 106 Ca 0.10 -0.16 -0.05 0.00 0.09 0.00 0.00 58.65 58.64 1y2g h GLN 106 Cb 0.29 -0.00 -0.01 0.00 0.08 0.00 0.00 27.48 27.84 1y2g h GLN 106 CO 0.00 0.68 0.01 1.25 0.09 0.00 0.00 178.83 180.87 1y2g h HIS 107 N 0.27 0.67 -0.12 0.06 2.76 -0.97 -1.10 115.15 116.71 1y2g h HIS 107 Ca 0.02 -0.11 -0.03 0.00 -2.20 0.00 0.00 60.37 58.06 1y2g h HIS 107 Cb 0.84 -0.18 -0.00 0.00 1.55 0.00 0.00 27.41 29.62 1y2g h HIS 107 CO 0.02 0.71 -0.03 0.82 -1.30 0.00 0.00 177.93 178.14 1y2g h ILE 108 N 0.43 1.29 -0.35 6.26 2.04 -1.13 -2.28 117.51 123.77 1y2g h ILE 108 Ca 0.10 -0.98 0.07 0.00 1.00 0.00 0.00 64.86 65.05 1y2g h ILE 108 Cb 0.43 1.70 -0.06 0.00 -0.74 0.00 0.00 36.82 38.15 1y2g h ILE 108 CO 0.02 0.28 -0.06 0.00 0.00 0.00 0.00 178.15 178.38 1y2g h ALA 109 N 0.69 0.26 -0.61 1.87 0.00 -1.00 -0.13 119.26 120.33 1y2g h ALA 109 Ca 0.03 0.13 0.02 0.00 0.00 0.00 0.00 54.91 55.09 1y2g h ALA 109 Cb 0.45 0.24 -0.04 0.00 0.00 0.00 0.00 17.79 18.44 1y2g h ALA 109 CO 0.01 -0.44 0.38 -0.44 0.00 0.00 0.00 179.25 178.76 1y2g h ASP 110 N 0.03 0.63 -0.68 0.00 3.32 -1.17 0.32 116.42 118.86 1y2g h ASP 110 Ca 0.17 -0.00 -0.06 0.00 0.02 0.00 0.00 57.03 57.16 1y2g h ASP 110 Cb 0.25 -0.14 -0.03 0.00 0.22 0.00 0.00 39.33 39.64 1y2g h ASP 110 CO -0.34 0.44 0.20 -0.33 -1.72 0.00 0.00 179.24 177.49 1y2g h GLU 111 N 0.75 1.07 -0.08 3.56 5.08 -0.74 -3.13 114.58 121.09 1y2g h GLU 111 Ca 0.24 -0.24 0.00 0.00 -1.00 0.00 0.00 59.36 58.37 1y2g h GLU 111 Cb 0.00 -0.15 0.00 0.00 0.50 0.00 0.00 28.75 29.10 1y2g h GLU 111 CO -0.09 0.93 0.00 1.33 -1.00 0.00 0.00 179.01 180.18 1y2g n VAL 112 N -4.31 0.08 -2.44 3.13 0.24 -0.14 -4.93 118.33 109.95 1y2g n VAL 112 Ca 0.05 -0.39 -0.08 0.00 -2.04 0.00 0.00 64.34 61.88 1y2g n VAL 112 Cb 0.23 0.86 0.01 0.00 -1.47 0.00 0.00 33.84 33.47 1y2g n VAL 112 CO 0.00 0.00 0.00 0.61 -2.14 0.00 0.00 176.83 175.30 1y2g n GLY 113 N 1.26 0.21 0.20 7.63 0.00 -0.16 -4.75 105.19 109.58 1y2g n GLY 113 Ca 0.17 -0.48 -0.01 0.00 0.00 0.00 0.00 46.02 45.69 1y2g n GLY 113 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1y2g n GLY 114 N -1.02 2.77 2.92 -0.02 0.00 0.93 -4.57 105.19 106.21 1y2g n GLY 114 Ca -0.05 -2.17 -0.15 0.00 0.00 0.00 0.00 46.02 43.65 1y2g n GLY 114 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1y2g s VAL 115 N 0.09 0.32 -0.11 1.61 0.11 0.48 -4.51 120.40 118.40 1y2g s VAL 115 Ca 0.02 -0.15 -0.30 0.00 -2.93 0.00 0.00 61.98 58.63 1y2g s VAL 115 Cb -0.00 -0.29 -0.02 0.00 -1.53 0.00 0.00 36.38 34.54 1y2g s VAL 115 CO 0.01 0.10 1.10 -0.69 -3.33 0.00 0.00 175.10 172.30 1y2g s VAL 116 N 0.07 4.54 0.15 2.04 1.01 -1.26 -0.89 120.40 126.06 1y2g s VAL 116 Ca -0.00 1.84 0.09 0.00 0.00 0.00 0.00 61.98 63.90 1y2g s VAL 116 Cb -0.04 -4.18 -0.04 0.00 0.00 0.00 0.00 36.38 32.12 1y2g s VAL 116 CO -0.00 -0.03 -0.20 -0.76 0.00 0.00 0.00 175.10 174.10 1y2g s LEU 117 N 2.35 2.39 0.00 3.92 1.43 0.51 -3.40 118.68 125.88 1y2g s LEU 117 Ca 0.51 -0.81 0.00 0.00 -1.03 0.00 0.00 54.13 52.80 1y2g s LEU 117 Cb -0.20 -0.92 0.00 0.00 0.03 0.00 0.00 46.19 45.09 1y2g s LEU 117 CO 0.18 0.03 0.00 -0.90 0.23 0.00 0.00 176.35 175.89 1y2g n ASP 118 N 0.54 -0.00 0.20 2.29 5.68 0.20 0.43 116.55 125.89 1y2g n ASP 118 Ca -0.15 -0.88 0.14 0.00 -0.50 0.00 0.00 54.79 53.41 1y2g n ASP 118 Cb 0.56 0.00 0.70 0.00 -1.14 0.00 0.00 41.12 41.24 1y2g n ASP 118 CO 0.00 0.00 0.00 -2.24 -1.33 0.00 0.00 177.20 173.63 1y2g h ASP 119 N -0.00 0.00 -0.42 -1.12 2.03 -1.82 -1.80 116.42 113.29 1y2g h ASP 119 Ca 0.00 0.00 -0.17 0.00 -0.73 0.00 0.00 57.03 56.13 1y2g h ASP 119 Cb 0.00 0.00 -0.10 0.00 -0.83 0.00 0.00 39.33 38.40 1y2g h ASP 119 CO 0.00 0.00 0.05 0.00 -1.03 0.00 0.00 179.24 178.26 1y2g n GLN 120 N -2.51 2.34 -3.94 4.15 6.02 -1.26 -4.95 117.38 117.23 1y2g n GLN 120 Ca -0.01 -3.06 -0.30 0.00 -0.01 0.00 0.00 57.00 53.62 1y2g n GLN 120 Cb 0.12 -1.89 0.02 0.00 1.02 0.00 0.00 30.24 29.51 1y2g n GLN 120 CO 0.00 0.00 0.00 0.54 -1.01 0.00 0.00 177.06 176.59 1y2g n ARG 121 N -0.88 -5.20 -4.40 -1.09 5.12 -0.68 -4.99 116.66 104.55 1y2g n ARG 121 Ca 0.33 0.57 -0.24 0.00 -1.93 0.00 0.00 57.85 56.59 1y2g n ARG 121 Cb 1.09 -5.41 -0.11 0.00 -1.16 0.00 0.00 32.46 26.87 1y2g n ARG 121 CO 0.00 0.00 0.00 1.03 -1.93 0.00 0.00 177.63 176.73 1y2g s ARG 122 N -6.62 1.48 0.02 5.56 0.52 -1.26 -4.84 118.95 113.80 1y2g s ARG 122 Ca 0.62 -1.57 -0.38 0.00 -0.52 0.00 0.00 55.73 53.88 1y2g s ARG 122 Cb -0.32 -1.60 -0.17 0.00 0.52 0.00 0.00 34.95 33.39 1y2g s ARG 122 CO 0.84 0.32 1.39 -0.12 0.02 0.00 0.00 175.30 177.75 1y2g n MET 123 N -0.06 1.08 -2.27 3.54 0.00 -1.26 -0.63 117.12 117.51 1y2g n MET 123 Ca -0.10 0.39 -0.42 0.00 -0.00 0.00 0.00 57.70 57.57 1y2g n MET 123 Cb 0.58 -2.03 -0.03 0.00 0.00 0.00 0.00 33.22 31.74 1y2g n MET 123 CO 0.00 0.00 0.00 1.41 0.00 0.00 0.00 175.97 177.38 1y2g s MET 124 N 0.97 4.38 0.25 2.12 1.75 -1.22 -4.73 119.30 122.82 1y2g s MET 124 Ca 0.87 1.96 0.10 0.00 -1.25 0.00 0.00 55.69 57.37 1y2g s MET 124 Cb -0.99 -3.27 -0.05 0.00 2.84 0.00 0.00 34.83 33.35 1y2g s MET 124 CO 0.51 -0.33 -0.17 0.95 -0.65 0.00 0.00 175.02 175.33 1y2g s THR 125 N 0.89 2.14 0.38 10.11 -4.23 -1.26 -5.03 115.64 118.65 1y2g s THR 125 Ca 0.61 -2.31 0.09 0.00 -1.18 0.00 0.00 61.69 58.89 1y2g s THR 125 Cb -0.34 -2.21 0.31 0.00 1.34 0.00 0.00 72.50 71.59 1y2g s THR 125 CO 0.31 -0.47 1.96 -0.65 -0.54 0.00 0.00 174.62 175.23 1y2g h PRO 126 N 2.38 0.61 -0.31 3.99 0.11 -1.99 -1.40 132.00 135.39 1y2g h PRO 126 Ca -0.39 -0.04 -0.03 0.00 0.11 0.00 0.00 66.00 65.65 1y2g h PRO 126 Cb 1.24 -0.14 -0.01 0.00 0.11 0.00 0.00 31.00 32.20 1y2g h PRO 126 CO 0.61 0.41 0.07 0.37 -0.21 0.00 0.00 178.00 179.25 1y2g h GLN 127 N 0.63 0.49 -0.84 1.05 4.15 -1.99 -1.61 115.11 117.00 1y2g h GLN 127 Ca 0.31 -0.12 -0.03 0.00 0.77 0.00 0.00 58.65 59.58 1y2g h GLN 127 Cb 0.40 -0.06 -0.04 0.00 0.21 0.00 0.00 27.48 27.99 1y2g h GLN 127 CO -0.11 0.57 0.39 -0.22 -1.93 0.00 0.00 178.83 177.53 1y2g h LYS 128 N 0.33 1.22 -0.78 1.69 1.63 -1.75 -1.47 116.57 117.44 1y2g h LYS 128 Ca 0.10 -0.19 0.01 0.00 -0.85 0.00 0.00 60.65 59.72 1y2g h LYS 128 Cb 0.30 -0.21 -0.04 0.00 -0.60 0.00 0.00 32.23 31.68 1y2g h LYS 128 CO 0.00 0.94 0.52 -0.07 -3.45 0.00 0.00 179.45 177.39 1y2g h LEU 129 N 1.20 0.89 -1.10 5.20 3.38 -1.02 -0.24 115.31 123.62 1y2g h LEU 129 Ca 0.29 -0.02 -0.06 0.00 0.09 0.00 0.00 57.88 58.17 1y2g h LEU 129 Cb 0.14 -0.22 -0.02 0.00 0.09 0.00 0.00 40.66 40.65 1y2g h LEU 129 CO -0.03 0.64 -0.03 0.03 0.09 0.00 0.00 178.44 179.14 1y2g h ARG 130 N 1.05 0.59 -0.30 1.13 3.08 -0.78 -1.98 114.38 117.17 1y2g h ARG 130 Ca 0.29 -0.15 -0.03 0.00 0.07 0.00 0.00 59.98 60.16 1y2g h ARG 130 Cb -0.11 -0.08 -0.01 0.00 0.08 0.00 0.00 29.97 29.85 1y2g h ARG 130 CO -0.07 0.64 0.05 1.49 -1.07 0.00 0.00 179.97 181.02 1y2g h GLU 131 N 0.56 0.49 -0.53 0.04 4.81 -0.23 -0.14 114.58 119.59 1y2g h GLU 131 Ca 0.11 -0.13 0.05 0.00 -0.13 0.00 0.00 59.36 59.26 1y2g h GLU 131 Cb 0.41 -0.06 -0.05 0.00 0.63 0.00 0.00 28.75 29.68 1y2g h GLU 131 CO 0.02 0.59 0.27 1.88 -0.73 0.00 0.00 179.01 181.04 1y2g h TYR 132 N 0.32 0.49 -0.57 0.92 0.99 -0.81 -0.61 116.97 117.71 1y2g h TYR 132 Ca 0.09 0.02 -0.06 0.00 2.00 0.00 0.00 58.73 60.78 1y2g h TYR 132 Cb 0.33 -0.14 -0.03 0.00 1.00 0.00 0.00 36.73 37.89 1y2g h TYR 132 CO 0.02 0.24 0.11 1.96 -0.00 0.00 0.00 178.16 180.49 1y2g h GLN 133 N 0.52 0.89 -0.53 4.88 4.20 -1.11 -1.64 115.11 122.31 1y2g h GLN 133 Ca 0.23 -0.20 -0.09 0.00 0.06 0.00 0.00 58.65 58.65 1y2g h GLN 133 Cb 0.14 -0.12 -0.02 0.00 0.30 0.00 0.00 27.48 27.78 1y2g h GLN 133 CO -0.16 0.82 -0.02 -0.44 -0.67 0.00 0.00 178.83 178.36 1y2g h ASP 134 N 0.85 0.89 -0.68 1.46 3.32 -0.32 -0.57 116.42 121.36 1y2g h ASP 134 Ca 0.18 -0.24 -0.07 0.00 0.02 0.00 0.00 57.03 56.92 1y2g h ASP 134 Cb 0.35 -0.24 -0.03 0.00 0.22 0.00 0.00 39.33 39.63 1y2g h ASP 134 CO 0.00 0.96 0.18 0.40 -1.72 0.00 0.00 179.24 179.06 1y2g h ILE 135 N 0.84 1.26 -0.30 0.35 2.04 -0.74 0.13 117.51 121.08 1y2g h ILE 135 Ca 0.15 -0.95 -0.03 0.00 1.00 0.00 0.00 64.86 65.04 1y2g h ILE 135 Cb 0.52 0.53 -0.01 0.00 -0.74 0.00 0.00 36.82 37.13 1y2g h ILE 135 CO 0.03 0.36 0.08 0.40 0.00 0.00 0.00 178.15 179.02 1y2g h ILE 136 N 1.05 1.21 -0.45 -0.67 2.04 -0.80 -1.65 117.51 118.24 1y2g h ILE 136 Ca 0.22 -0.70 -0.04 0.00 1.00 0.00 0.00 64.86 65.34 1y2g h ILE 136 Cb 0.35 1.10 -0.02 0.00 -0.74 0.00 0.00 36.82 37.52 1y2g h ILE 136 CO 0.00 0.23 0.11 0.03 0.00 0.00 0.00 178.15 178.53 1y2g h ARG 137 N 0.32 0.71 -0.50 2.37 3.08 -0.88 -2.29 114.38 117.19 1y2g h ARG 137 Ca 0.09 -0.17 0.10 0.00 0.07 0.00 0.00 59.98 60.07 1y2g h ARG 137 Cb 0.27 -0.09 -0.08 0.00 0.08 0.00 0.00 29.97 30.15 1y2g h ARG 137 CO -0.00 0.70 0.02 1.49 -1.07 0.00 0.00 179.97 181.12 1y2g h GLU 138 N 0.59 0.14 -0.02 0.04 4.81 -0.59 -1.05 114.58 118.49 1y2g h GLU 138 Ca 0.14 -0.01 -0.08 0.00 -0.13 0.00 0.00 59.36 59.29 1y2g h GLU 138 Cb 0.31 -0.03 -0.01 0.00 0.63 0.00 0.00 28.75 29.65 1y2g h GLU 138 CO 0.00 0.09 -0.34 0.28 -0.73 0.00 0.00 179.01 178.31 1y2g h VAL 139 N 0.14 1.26 0.00 0.32 2.07 -1.09 -2.70 116.25 116.25 1y2g h VAL 139 Ca 0.25 -1.22 0.00 0.00 0.82 0.00 0.00 66.70 66.55 1y2g h VAL 139 Cb 0.38 1.62 0.00 0.00 -1.52 0.00 0.00 31.29 31.77 1y2g h VAL 139 CO -0.40 0.35 -0.11 0.29 0.02 0.00 0.00 177.57 177.72 1y2g n LYS 140 N -4.12 0.14 -0.07 1.57 5.02 -0.47 -3.65 118.16 116.58 1y2g n LYS 140 Ca -0.02 0.10 -0.21 0.00 -2.02 0.00 0.00 58.31 56.16 1y2g n LYS 140 Cb 0.39 -1.65 -0.12 0.00 -0.02 0.00 0.00 35.03 33.63 1y2g n LYS 140 CO 0.00 0.00 0.00 -0.44 -0.52 0.00 0.00 177.40 176.44 1y2g h ASP 141 N 0.00 0.13 -0.02 4.39 3.32 -1.16 -3.51 116.42 119.56 1y2g h ASP 141 Ca 0.00 -0.67 0.00 0.00 0.02 0.00 0.00 57.03 56.38 1y2g h ASP 141 Cb 0.63 -0.04 0.00 0.00 0.22 0.00 0.00 39.33 40.13 1y2g h ASP 141 CO 0.00 1.54 0.00 0.00 -1.72 0.00 0.00 179.24 179.06