#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1y2f n LYS 7 N 0.00 1.41 -3.57 -0.14 5.02 -1.26 -4.16 118.16 115.47 1y2f n LYS 7 Ca 0.00 -0.73 -0.09 0.00 -2.02 0.00 0.00 58.31 55.47 1y2f n LYS 7 Cb 0.00 -1.48 -0.04 0.00 -0.02 0.00 0.00 35.03 33.48 1y2f n LYS 7 CO 0.00 0.00 0.00 -1.83 -0.52 0.00 0.00 177.40 175.05 1y2f s GLU 8 N -2.09 0.59 0.16 1.97 -1.05 -1.26 -4.47 118.70 112.55 1y2f s GLU 8 Ca 0.37 0.03 -0.22 0.00 -0.15 0.00 0.00 54.97 55.00 1y2f s GLU 8 Cb 0.21 0.28 0.06 0.00 -0.44 0.00 0.00 34.13 34.24 1y2f s GLU 8 CO 0.37 -0.21 0.58 0.00 0.95 0.00 0.00 175.26 176.95 1y2f s ALA 9 N -1.62 -1.51 -0.15 -0.84 0.00 -0.98 -5.03 121.76 111.62 1y2f s ALA 9 Ca 0.01 0.40 -0.04 0.00 0.00 0.00 0.00 51.96 52.34 1y2f s ALA 9 Cb -0.01 0.87 -0.03 0.00 0.00 0.00 0.00 23.12 23.95 1y2f s ALA 9 CO -0.02 -0.77 -0.03 0.08 0.00 0.00 0.00 175.76 175.02 1y2f s VAL 10 N -3.76 3.92 -0.07 0.00 1.01 -1.26 -1.59 120.40 118.65 1y2f s VAL 10 Ca 0.02 -0.35 -0.17 0.00 0.00 0.00 0.00 61.98 61.47 1y2f s VAL 10 Cb -0.01 -2.72 -0.05 0.00 0.00 0.00 0.00 36.38 33.61 1y2f s VAL 10 CO -0.12 0.50 0.47 -0.63 0.00 0.00 0.00 175.10 175.31 1y2f s ILE 11 N 0.31 5.10 -0.05 2.22 -1.09 -0.47 -4.93 121.20 122.28 1y2f s ILE 11 Ca -0.03 0.95 -0.01 0.00 -2.23 0.00 0.00 60.65 59.33 1y2f s ILE 11 Cb -0.14 -3.80 0.03 0.00 -1.58 0.00 0.00 42.46 36.97 1y2f s ILE 11 CO 0.03 0.42 -0.00 -0.63 -1.23 0.00 0.00 174.94 173.52 1y2f s ILE 12 N -0.00 0.32 0.02 2.92 1.01 -1.26 -1.44 121.20 122.77 1y2f s ILE 12 Ca 0.26 0.10 0.05 0.00 0.00 0.00 0.00 60.65 61.06 1y2f s ILE 12 Cb -0.16 -0.45 -0.02 0.00 0.01 0.00 0.00 42.46 41.85 1y2f s ILE 12 CO 0.12 0.22 -0.15 0.00 0.00 0.00 0.00 174.94 175.13 1y2f s MET 13 N 1.59 1.11 0.11 2.79 0.23 -0.53 -2.69 119.30 121.91 1y2f s MET 13 Ca -0.01 -0.69 0.07 0.00 -1.03 0.00 0.00 55.69 54.03 1y2f s MET 13 Cb -0.13 -1.11 -0.04 0.00 -1.53 0.00 0.00 34.83 32.02 1y2f s MET 13 CO -0.03 0.29 -0.12 -0.80 -2.03 0.00 0.00 175.02 172.33 1y2f s ASN 14 N -0.82 4.30 -0.28 -1.18 0.01 0.90 -0.32 114.94 117.55 1y2f s ASN 14 Ca 0.04 -0.42 0.02 0.00 -0.71 0.00 0.00 52.86 51.79 1y2f s ASN 14 Cb -0.07 -0.78 0.06 0.00 0.41 0.00 0.00 41.25 40.87 1y2f s ASN 14 CO 0.01 0.18 -0.07 -0.69 -1.51 0.00 0.00 177.10 175.02 1y2f s VAL 15 N -1.21 2.35 0.08 1.60 1.01 -0.41 0.17 120.40 124.01 1y2f s VAL 15 Ca 0.21 -1.68 0.08 0.00 0.00 0.00 0.00 61.98 60.59 1y2f s VAL 15 Cb -0.11 -2.43 -0.03 0.00 0.00 0.00 0.00 36.38 33.81 1y2f s VAL 15 CO 0.13 -0.12 -0.21 0.00 0.00 0.00 0.00 175.10 174.90 1y2f s ALA 16 N 1.11 1.83 0.84 5.51 0.00 0.10 -0.96 121.76 130.19 1y2f s ALA 16 Ca -0.06 -1.20 -0.10 0.00 0.00 0.00 0.00 51.96 50.60 1y2f s ALA 16 Cb -0.20 -0.29 0.10 0.00 0.00 0.00 0.00 23.12 22.73 1y2f s ALA 16 CO -0.05 0.39 1.11 0.00 0.00 0.00 0.00 175.76 177.21 1y2f s ALA 17 N -1.04 1.85 0.92 0.00 0.00 -0.16 -0.61 121.76 122.73 1y2f s ALA 17 Ca 0.07 0.37 -0.11 0.00 0.00 0.00 0.00 51.96 52.29 1y2f s ALA 17 Cb -0.10 -3.34 0.14 0.00 0.00 0.00 0.00 23.12 19.83 1y2f s ALA 17 CO 0.04 -2.24 1.11 -1.01 0.00 0.00 0.00 175.76 173.66 1y2f s HIS 18 N -2.80 1.86 0.29 0.00 3.76 -1.26 -4.81 115.29 112.33 1y2f s HIS 18 Ca 0.64 1.61 -0.29 0.00 -0.15 0.00 0.00 55.06 56.87 1y2f s HIS 18 Cb -0.20 -3.23 -0.14 0.00 1.11 0.00 0.00 32.58 30.13 1y2f s HIS 18 CO 0.57 -2.70 1.13 1.58 -0.85 0.00 0.00 174.74 174.47 1y2f n HIS 19 N -4.14 1.60 -0.93 1.40 -0.00 -1.26 -2.01 115.22 109.88 1y2f n HIS 19 Ca 0.10 0.64 0.00 0.00 0.46 0.00 0.00 57.72 58.92 1y2f n HIS 19 Cb 0.53 -2.31 0.00 0.00 -0.12 0.00 0.00 29.99 28.09 1y2f n HIS 19 CO 0.00 0.00 0.00 0.41 0.46 0.00 0.00 176.34 177.21 1y2f n GLY 20 N 1.24 0.43 3.47 1.57 0.00 -1.26 -4.99 105.19 105.66 1y2f n GLY 20 Ca 0.09 0.00 -0.23 0.00 0.00 0.00 0.00 46.02 45.88 1y2f n GLY 20 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1y2f s SER 21 N -2.24 2.50 0.06 1.61 0.01 -0.85 -5.17 113.70 109.62 1y2f s SER 21 Ca 0.00 -1.48 0.02 0.00 1.31 0.00 0.00 55.95 55.80 1y2f s SER 21 Cb 0.00 0.12 -0.03 0.00 0.21 0.00 0.00 66.02 66.32 1y2f s SER 21 CO 0.00 -0.72 -0.07 -1.61 0.41 0.00 0.00 173.24 171.25 1y2f s GLU 22 N -3.85 0.61 0.25 12.44 2.02 -1.26 -4.65 118.70 124.26 1y2f s GLU 22 Ca 0.32 -0.92 -0.23 0.00 0.02 0.00 0.00 54.97 54.16 1y2f s GLU 22 Cb 0.07 -0.25 -0.09 0.00 0.10 0.00 0.00 34.13 33.96 1y2f s GLU 22 CO 0.15 0.03 0.80 -0.51 0.02 0.00 0.00 175.26 175.75 1y2f s LEU 23 N -2.00 4.38 -0.08 1.80 1.43 0.18 -4.82 118.68 119.56 1y2f s LEU 23 Ca -0.04 1.59 -0.30 0.00 -1.03 0.00 0.00 54.13 54.35 1y2f s LEU 23 Cb -0.06 -3.69 -0.03 0.00 0.03 0.00 0.00 46.19 42.45 1y2f s LEU 23 CO -0.01 0.02 1.27 0.21 0.23 0.00 0.00 176.35 178.07 1y2f s ASN 24 N -1.57 6.97 0.21 2.29 3.84 -1.26 -2.22 114.94 123.20 1y2f s ASN 24 Ca 0.44 1.84 -0.10 0.00 0.21 0.00 0.00 52.86 55.26 1y2f s ASN 24 Cb -0.18 -2.55 0.23 0.00 -0.55 0.00 0.00 41.25 38.20 1y2f s ASN 24 CO 0.23 -0.67 1.81 1.23 -2.79 0.00 0.00 177.10 176.90 1y2f h GLY 25 N 8.75 0.96 0.95 1.21 0.00 -1.21 -1.12 103.07 112.61 1y2f h GLY 25 Ca -0.33 -0.26 -0.03 0.00 0.00 0.00 0.00 47.33 46.71 1y2f h GLY 25 CO 0.91 0.16 0.14 -2.09 0.00 0.00 0.00 176.54 175.67 1y2f h GLU 26 N 0.68 0.68 -0.43 4.80 4.81 -1.77 0.56 114.58 123.91 1y2f h GLU 26 Ca 0.29 -0.14 -0.04 0.00 -0.13 0.00 0.00 59.36 59.34 1y2f h GLU 26 Cb 0.17 -0.10 -0.02 0.00 0.63 0.00 0.00 28.75 29.44 1y2f h GLU 26 CO -0.18 0.65 0.11 1.25 -0.73 0.00 0.00 179.01 180.11 1y2f h LEU 27 N 0.57 0.65 -0.29 1.64 5.85 -1.89 -1.42 115.31 120.41 1y2f h LEU 27 Ca 0.14 -0.23 0.06 0.00 0.84 0.00 0.00 57.88 58.69 1y2f h LEU 27 Cb 0.25 -0.17 -0.05 0.00 0.37 0.00 0.00 40.66 41.06 1y2f h LEU 27 CO -0.01 0.71 -0.05 0.25 -0.34 0.00 0.00 178.44 179.00 1y2f h LEU 28 N 0.55 -0.22 -1.05 2.25 5.85 -0.89 -0.13 115.31 121.67 1y2f h LEU 28 Ca 0.13 0.08 -0.08 0.00 0.84 0.00 0.00 57.88 58.85 1y2f h LEU 28 Cb 0.31 0.16 -0.01 0.00 0.37 0.00 0.00 40.66 41.49 1y2f h LEU 28 CO 0.00 -0.08 -0.22 -0.07 -0.34 0.00 0.00 178.44 177.73 1y2f h LEU 29 N 0.03 0.40 -0.17 2.25 3.38 -0.72 -0.70 115.31 119.78 1y2f h LEU 29 Ca 0.14 -0.12 -0.02 0.00 0.09 0.00 0.00 57.88 57.97 1y2f h LEU 29 Cb 0.21 -0.11 -0.01 0.00 0.09 0.00 0.00 40.66 40.84 1y2f h LEU 29 CO -0.28 0.64 0.02 0.78 0.09 0.00 0.00 178.44 179.69 1y2f h ASN 30 N 0.37 0.27 0.17 -0.43 2.35 -0.67 -2.60 115.58 115.03 1y2f h ASN 30 Ca 0.06 -0.26 -0.09 0.00 -0.55 0.00 0.00 56.30 55.46 1y2f h ASN 30 Cb 0.60 -0.07 -0.01 0.00 0.05 0.00 0.00 38.32 38.88 1y2f h ASN 30 CO 0.04 0.46 -0.32 0.77 -1.65 0.00 0.00 177.43 176.73 1y2f h SER 31 N 0.06 0.24 -0.24 5.81 4.64 -0.84 -1.27 113.55 121.96 1y2f h SER 31 Ca 0.05 -0.08 -0.00 0.00 -0.47 0.00 0.00 61.79 61.28 1y2f h SER 31 Cb 0.31 -0.07 -0.01 0.00 -0.31 0.00 0.00 62.40 62.32 1y2f h SER 31 CO 0.00 0.56 0.14 0.40 -0.87 0.00 0.00 176.83 177.06 1y2f h ILE 32 N 0.21 1.10 0.00 0.95 2.04 -1.03 -0.54 117.51 120.24 1y2f h ILE 32 Ca 0.03 -0.27 -0.06 0.00 1.00 0.00 0.00 64.86 65.56 1y2f h ILE 32 Cb 0.68 0.85 -0.01 0.00 -0.74 0.00 0.00 36.82 37.60 1y2f h ILE 32 CO 0.05 0.10 -0.30 0.06 0.00 0.00 0.00 178.15 178.07 1y2f h GLN 33 N 0.28 0.00 -0.40 2.37 3.07 -1.20 -2.58 115.11 116.66 1y2f h GLN 33 Ca 0.08 0.00 -0.03 0.00 0.09 0.00 0.00 58.65 58.80 1y2f h GLN 33 Cb 0.04 0.00 -0.02 0.00 0.08 0.00 0.00 27.48 27.58 1y2f h GLN 33 CO -0.01 0.30 0.13 1.96 0.09 0.00 0.00 178.83 181.29 1y2f h GLN 34 N 0.00 0.57 0.00 0.06 4.20 -0.83 -1.70 115.11 117.41 1y2f h GLN 34 Ca -0.00 -0.08 0.00 0.00 0.06 0.00 0.00 58.65 58.62 1y2f h GLN 34 Cb 1.07 -0.10 0.00 0.00 0.30 0.00 0.00 27.48 28.75 1y2f h GLN 34 CO 0.04 0.50 0.00 0.00 -0.67 0.00 0.00 178.83 178.70 1y2f n ALA 35 N -2.47 1.89 0.00 3.87 0.00 -0.25 -4.89 120.51 118.66 1y2f n ALA 35 Ca 0.03 -0.07 0.00 0.00 0.00 0.00 0.00 53.44 53.40 1y2f n ALA 35 Cb 0.17 -1.31 0.00 0.00 0.00 0.00 0.00 19.45 18.31 1y2f n ALA 35 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1y2f n GLY 36 N 0.45 0.60 3.78 0.00 0.00 -0.64 -4.93 105.19 104.44 1y2f n GLY 36 Ca 0.05 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 45.70 1y2f n GLY 36 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 1y2f s PHE 37 N -2.00 3.07 -0.09 1.61 0.40 -1.05 -4.61 117.98 115.31 1y2f s PHE 37 Ca 0.00 1.58 0.03 0.00 -0.60 0.00 0.00 56.93 57.94 1y2f s PHE 37 Cb 0.00 -3.26 0.01 0.00 0.51 0.00 0.00 43.02 40.27 1y2f s PHE 37 CO 0.00 -1.09 -0.18 0.42 0.70 0.00 0.00 175.22 175.07 1y2f s ILE 38 N -1.59 1.60 0.33 0.64 -1.09 0.69 -4.44 121.20 117.34 1y2f s ILE 38 Ca 0.61 -0.74 -0.29 0.00 -2.23 0.00 0.00 60.65 57.99 1y2f s ILE 38 Cb -0.26 -1.41 -0.11 0.00 -1.58 0.00 0.00 42.46 39.10 1y2f s ILE 38 CO 0.32 0.46 1.46 0.12 -1.23 0.00 0.00 174.94 176.06 1y2f s PHE 39 N 0.55 2.79 0.00 3.97 2.19 -1.26 -1.47 117.98 124.75 1y2f s PHE 39 Ca -0.16 1.13 0.00 0.00 0.33 0.00 0.00 56.93 58.23 1y2f s PHE 39 Cb -0.17 -3.92 0.00 0.00 -1.31 0.00 0.00 43.02 37.62 1y2f s PHE 39 CO 0.06 -2.80 0.00 0.41 1.83 0.00 0.00 175.22 174.72 1y2f n GLY 40 N 1.14 1.04 3.57 13.12 0.00 -0.36 -4.92 105.19 118.78 1y2f n GLY 40 Ca 0.03 0.37 -0.49 0.00 0.00 0.00 0.00 46.02 45.93 1y2f n GLY 40 CO 0.00 0.00 0.00 1.34 0.00 0.00 0.00 173.32 174.66 1y2f n ASP 41 N 0.00 1.22 -0.36 1.61 2.03 -1.26 -0.85 116.55 118.93 1y2f n ASP 41 Ca 0.00 1.14 -0.05 0.00 0.52 0.00 0.00 54.79 56.40 1y2f n ASP 41 Cb 0.00 -1.19 -0.02 0.00 -0.72 0.00 0.00 41.12 39.18 1y2f n ASP 41 CO 0.00 0.00 0.00 0.23 -1.92 0.00 0.00 177.20 175.51 1y2f n MET 42 N 1.75 -1.51 -2.67 -0.67 2.81 -1.26 -2.56 117.12 113.01 1y2f n MET 42 Ca 0.15 0.60 -0.17 0.00 -1.81 0.00 0.00 57.70 56.47 1y2f n MET 42 Cb 0.24 -4.83 0.02 0.00 -0.71 0.00 0.00 33.22 27.94 1y2f n MET 42 CO 0.00 0.00 0.00 0.09 1.51 0.00 0.00 175.97 177.57 1y2f n ASN 43 N -0.80 -5.12 -3.97 7.83 3.02 -0.03 -4.88 115.26 111.30 1y2f n ASN 43 Ca -0.05 -0.15 -0.26 0.00 -0.03 0.00 0.00 54.58 54.09 1y2f n ASN 43 Cb 0.45 -4.06 -0.06 0.00 -0.61 0.00 0.00 39.78 35.50 1y2f n ASN 43 CO 0.00 0.00 0.00 2.30 -2.62 0.00 0.00 177.26 176.94 1y2f n ILE 44 N -4.18 0.00 -3.81 2.41 -5.35 -1.06 -1.18 119.36 106.20 1y2f n ILE 44 Ca -0.13 -2.11 -0.30 0.00 -0.27 0.00 0.00 62.75 59.94 1y2f n ILE 44 Cb 0.62 0.59 -0.04 0.00 -1.74 0.00 0.00 39.64 39.07 1y2f n ILE 44 CO 0.00 0.00 0.00 -0.31 -1.76 0.00 0.00 176.55 174.48 1y2f s TYR 45 N -2.77 3.50 -0.02 4.28 1.51 -0.76 -1.22 117.35 121.87 1y2f s TYR 45 Ca 0.09 0.35 -0.03 0.00 -1.01 0.00 0.00 57.07 56.48 1y2f s TYR 45 Cb 0.00 -1.84 0.00 0.00 -0.11 0.00 0.00 41.96 40.02 1y2f s TYR 45 CO 0.07 0.50 0.07 -1.01 -1.11 0.00 0.00 175.55 174.07 1y2f s HIS 46 N -1.63 -0.05 -0.29 2.71 3.76 -0.54 -0.87 115.29 118.38 1y2f s HIS 46 Ca 0.37 0.12 -0.08 0.00 -0.15 0.00 0.00 55.06 55.33 1y2f s HIS 46 Cb -0.12 0.01 -0.00 0.00 1.11 0.00 0.00 32.58 33.57 1y2f s HIS 46 CO 0.27 -0.06 0.10 0.50 -0.85 0.00 0.00 174.74 174.69 1y2f s ARG 47 N -0.16 3.26 0.11 1.40 6.06 -0.23 -0.22 118.95 129.18 1y2f s ARG 47 Ca -0.02 -0.75 -0.00 0.00 -2.50 0.00 0.00 55.73 52.46 1y2f s ARG 47 Cb -0.02 -3.41 0.02 0.00 0.06 0.00 0.00 34.95 31.61 1y2f s ARG 47 CO 0.00 -0.39 0.15 0.72 -2.50 0.00 0.00 175.30 173.28 1y2f n HIS 48 N 4.91 -3.44 0.26 5.12 8.25 -1.26 0.09 115.22 129.15 1y2f n HIS 48 Ca -0.15 -0.23 0.15 0.00 -0.26 0.00 0.00 57.72 57.23 1y2f n HIS 48 Cb 0.49 -0.11 0.56 0.00 1.12 0.00 0.00 29.99 32.05 1y2f n HIS 48 CO 0.00 0.00 0.00 -0.07 0.64 0.00 0.00 176.34 176.91 1y2f h LEU 49 N 0.00 0.00 -7.60 2.41 3.38 -1.63 -3.42 115.31 108.45 1y2f h LEU 49 Ca -0.05 0.00 -0.08 0.00 0.09 0.00 0.00 57.88 57.85 1y2f h LEU 49 Cb 0.17 0.00 -0.14 0.00 0.09 0.00 0.00 40.66 40.78 1y2f h LEU 49 CO 0.05 0.03 -0.24 -0.55 0.09 0.00 0.00 178.44 177.83 1y2f s SER 50 N -5.86 -0.06 -1.38 -0.43 0.15 -1.26 -5.06 113.70 99.80 1y2f s SER 50 Ca 0.02 -0.42 -0.09 0.00 0.70 0.00 0.00 55.95 56.16 1y2f s SER 50 Cb 0.08 0.39 0.09 0.00 -1.71 0.00 0.00 66.02 64.87 1y2f s SER 50 CO 0.58 -0.74 2.25 -2.65 1.20 0.00 0.00 173.24 173.88 1y2f n PRO 51 N 0.05 3.74 -0.76 5.44 -0.02 -1.26 -4.46 135.00 137.72 1y2f n PRO 51 Ca -0.16 -3.12 0.00 0.00 -2.02 0.00 0.00 63.50 58.19 1y2f n PRO 51 Cb 0.62 -2.90 0.00 0.00 -0.02 0.00 0.00 33.50 31.20 1y2f n PRO 51 CO 0.00 0.00 0.00 -0.25 1.98 0.00 0.00 175.50 177.23 1y2f n ASP 52 N 3.68 0.68 -4.36 2.55 9.92 -1.26 -5.02 116.55 122.75 1y2f n ASP 52 Ca 0.54 -0.57 -0.46 0.00 -0.53 0.00 0.00 54.79 53.78 1y2f n ASP 52 Cb 0.32 0.00 -0.01 0.00 -0.64 0.00 0.00 41.12 40.79 1y2f n ASP 52 CO 0.00 0.00 0.00 -0.83 0.13 0.00 0.00 177.20 176.50 1y2f s GLY 53 N -1.23 2.78 -0.22 0.44 0.00 -1.26 -4.44 107.32 103.39 1y2f s GLY 53 Ca 0.00 -3.47 0.08 0.00 0.00 0.00 0.00 44.72 41.33 1y2f s GLY 53 CO 0.00 1.44 -0.04 1.44 0.00 0.00 0.00 173.10 175.95 1y2f n SER 54 N 3.92 1.15 -4.77 1.64 7.64 -1.26 -5.05 113.62 116.89 1y2f n SER 54 Ca 0.21 -0.04 -0.33 0.00 1.01 0.00 0.00 58.87 59.72 1y2f n SER 54 Cb 0.44 0.14 0.05 0.00 -1.01 0.00 0.00 64.21 63.83 1y2f n SER 54 CO 0.00 0.00 0.00 -0.83 -3.01 0.00 0.00 175.04 171.20 1y2f s GLY 55 N -5.99 2.11 0.62 0.23 0.00 -1.26 -5.01 107.32 98.01 1y2f s GLY 55 Ca -0.23 0.53 -0.16 0.00 0.00 0.00 0.00 44.72 44.85 1y2f s GLY 55 CO 0.71 0.88 1.11 2.56 0.00 0.00 0.00 173.10 178.37 1y2f s PRO 56 N -4.18 3.01 0.35 2.90 0.04 -1.26 -4.44 135.00 131.43 1y2f s PRO 56 Ca 0.67 1.45 -0.27 0.00 0.04 0.00 0.00 61.00 62.88 1y2f s PRO 56 Cb -0.20 -1.97 -0.09 0.00 0.04 0.00 0.00 34.50 32.27 1y2f s PRO 56 CO 0.43 -1.09 1.24 0.00 0.04 0.00 0.00 177.00 177.61 1y2f s ALA 57 N -2.16 3.35 -0.26 8.56 0.00 -1.26 -2.05 121.76 127.94 1y2f s ALA 57 Ca 0.69 1.12 -0.10 0.00 0.00 0.00 0.00 51.96 53.66 1y2f s ALA 57 Cb -0.21 -3.43 -0.12 0.00 0.00 0.00 0.00 23.12 19.36 1y2f s ALA 57 CO 0.36 -0.57 -0.31 1.28 0.00 0.00 0.00 175.76 176.52 1y2f n LEU 58 N 0.55 2.04 -3.79 0.00 4.77 0.11 -4.80 117.00 115.88 1y2f n LEU 58 Ca 0.02 0.24 -0.11 0.00 -0.03 0.00 0.00 56.01 56.12 1y2f n LEU 58 Cb 0.44 -0.78 -0.08 0.00 -2.33 0.00 0.00 43.42 40.67 1y2f n LEU 58 CO 0.55 0.61 -0.03 0.72 -1.33 0.00 0.00 177.39 177.92 1y2f s PHE 59 N -2.48 -0.04 0.43 -1.77 -0.12 -1.19 -4.44 117.98 108.38 1y2f s PHE 59 Ca -0.36 -0.13 0.06 0.00 -0.05 0.00 0.00 56.93 56.45 1y2f s PHE 59 Cb 0.13 0.04 -0.07 0.00 -0.63 0.00 0.00 43.02 42.50 1y2f s PHE 59 CO 0.48 -0.47 0.01 -1.12 -0.05 0.00 0.00 175.22 174.07 1y2f s SER 60 N -2.06 3.94 -0.05 1.98 0.01 0.36 -1.07 113.70 116.80 1y2f s SER 60 Ca -0.05 -1.42 -0.02 0.00 1.31 0.00 0.00 55.95 55.76 1y2f s SER 60 Cb -0.01 -0.21 0.04 0.00 0.21 0.00 0.00 66.02 66.04 1y2f s SER 60 CO -0.03 -0.53 0.09 -0.22 0.41 0.00 0.00 173.24 172.95 1y2f s LEU 61 N -3.75 0.24 0.18 2.44 0.20 -0.05 -1.37 118.68 116.58 1y2f s LEU 61 Ca 0.29 0.16 0.08 0.00 0.69 0.00 0.00 54.13 55.35 1y2f s LEU 61 Cb 0.08 0.02 -0.04 0.00 -0.43 0.00 0.00 46.19 45.82 1y2f s LEU 61 CO 0.15 -0.23 -0.16 0.00 -0.29 0.00 0.00 176.35 175.83 1y2f s ALA 62 N 1.99 1.92 0.34 5.97 0.00 0.03 -1.82 121.76 130.19 1y2f s ALA 62 Ca 0.02 -1.55 -0.25 0.00 0.00 0.00 0.00 51.96 50.18 1y2f s ALA 62 Cb -0.12 -0.11 -0.10 0.00 0.00 0.00 0.00 23.12 22.78 1y2f s ALA 62 CO -0.04 0.12 0.96 1.21 0.00 0.00 0.00 175.76 178.01 1y2f s ASN 63 N -2.97 7.23 0.25 0.00 3.04 -0.15 0.06 114.94 122.40 1y2f s ASN 63 Ca 0.18 1.84 0.00 0.00 0.04 0.00 0.00 52.86 54.92 1y2f s ASN 63 Cb -0.03 -2.57 0.32 0.00 -1.54 0.00 0.00 41.25 37.42 1y2f s ASN 63 CO 0.06 -0.15 1.68 0.24 -3.04 0.00 0.00 177.10 175.89 1y2f h MET 64 N 2.94 0.57 -6.63 0.43 2.86 -1.65 -3.38 114.93 110.07 1y2f h MET 64 Ca -0.47 -0.23 -0.51 0.00 -2.06 0.00 0.00 59.70 56.43 1y2f h MET 64 Cb 1.19 -0.03 -0.03 0.00 0.06 0.00 0.00 31.60 32.80 1y2f h MET 64 CO 0.64 0.79 0.16 0.08 1.06 0.00 0.00 176.91 179.63 1y2f s VAL 65 N -4.49 4.49 0.52 -2.22 1.01 -1.26 -4.85 120.40 113.60 1y2f s VAL 65 Ca -0.08 1.40 -0.22 0.00 0.00 0.00 0.00 61.98 63.08 1y2f s VAL 65 Cb 0.13 -3.89 -0.06 0.00 0.00 0.00 0.00 36.38 32.56 1y2f s VAL 65 CO 0.81 0.20 1.29 -0.54 0.00 0.00 0.00 175.10 176.86 1y2f s LYS 66 N -1.98 3.34 -0.02 2.72 1.02 -1.26 0.31 119.74 123.86 1y2f s LYS 66 Ca 0.44 2.08 0.03 0.00 0.02 0.00 0.00 55.97 58.54 1y2f s LYS 66 Cb -0.17 -2.30 0.12 0.00 -0.52 0.00 0.00 37.83 34.95 1y2f s LYS 66 CO 0.22 -0.98 0.88 -0.35 -0.92 0.00 0.00 175.35 174.19 1y2f n PRO 67 N -0.86 1.46 -0.89 -1.68 -0.04 -1.26 -4.92 135.00 126.81 1y2f n PRO 67 Ca 0.09 -0.46 0.00 0.00 -0.04 0.00 0.00 63.50 63.09 1y2f n PRO 67 Cb 0.46 -1.38 0.00 0.00 -0.04 0.00 0.00 33.50 32.54 1y2f n PRO 67 CO 0.00 0.00 0.00 0.41 -0.04 0.00 0.00 175.50 175.87 1y2f n GLY 68 N 0.37 0.76 4.00 0.55 0.00 0.15 -4.98 105.19 106.04 1y2f n GLY 68 Ca 0.04 0.00 -0.21 0.00 0.00 0.00 0.00 46.02 45.85 1y2f n GLY 68 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 1y2f s THR 69 N -3.26 2.41 0.27 2.61 -4.23 -1.26 -0.98 115.64 111.20 1y2f s THR 69 Ca 0.00 -0.80 0.03 0.00 -1.18 0.00 0.00 61.69 59.74 1y2f s THR 69 Cb 0.00 -2.62 -0.06 0.00 1.34 0.00 0.00 72.50 71.17 1y2f s THR 69 CO 0.00 0.00 0.05 -0.36 -0.54 0.00 0.00 174.62 173.77 1y2f s PHE 70 N -2.78 1.68 -0.32 3.99 0.40 -0.32 -4.78 117.98 115.85 1y2f s PHE 70 Ca 0.61 -1.02 -0.02 0.00 -0.60 0.00 0.00 56.93 55.90 1y2f s PHE 70 Cb -0.07 -1.03 0.11 0.00 0.51 0.00 0.00 43.02 42.55 1y2f s PHE 70 CO 0.39 -0.12 0.16 0.34 0.70 0.00 0.00 175.22 176.69 1y2f s ASP 71 N -3.37 3.40 0.63 1.36 -1.08 -1.26 -4.85 116.67 111.50 1y2f s ASP 71 Ca 0.34 -1.67 0.25 0.00 -0.52 0.00 0.00 52.55 50.95 1y2f s ASP 71 Cb 0.07 -0.44 1.26 0.00 -1.46 0.00 0.00 42.92 42.35 1y2f s ASP 71 CO 0.12 -0.39 1.71 1.55 0.52 0.00 0.00 175.17 178.68 1y2f h PRO 72 N 7.85 0.00 -0.00 4.34 0.13 -1.99 0.57 132.00 142.91 1y2f h PRO 72 Ca -0.10 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.03 1y2f h PRO 72 Cb 0.99 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.12 1y2f h PRO 72 CO 0.39 0.00 -0.43 0.39 -0.23 0.00 0.00 178.00 178.11 1y2f n GLU 73 N -3.18 0.09 -3.93 0.86 -0.58 -1.26 -4.55 120.64 108.09 1y2f n GLU 73 Ca 0.05 -0.05 -0.30 0.00 -0.42 0.00 0.00 57.16 56.44 1y2f n GLU 73 Cb 0.72 -1.50 -0.14 0.00 -0.57 0.00 0.00 31.44 29.95 1y2f n GLU 73 CO 0.00 0.00 0.00 1.41 -0.48 0.00 0.00 177.13 178.06 1y2f s MET 74 N -2.95 1.86 0.00 3.49 1.75 0.20 -4.93 119.30 118.73 1y2f s MET 74 Ca 0.13 -2.50 0.24 0.00 -1.25 0.00 0.00 55.69 52.32 1y2f s MET 74 Cb 0.18 -3.21 0.54 0.00 2.84 0.00 0.00 34.83 35.18 1y2f s MET 74 CO 0.67 -1.10 1.45 1.63 -0.65 0.00 0.00 175.02 177.02 1y2f n LYS 75 N 3.25 2.12 -2.47 4.11 5.02 -1.26 -4.66 118.16 124.27 1y2f n LYS 75 Ca 0.05 -1.64 -0.43 0.00 -2.02 0.00 0.00 58.31 54.27 1y2f n LYS 75 Cb 0.33 -1.47 0.00 0.00 -0.02 0.00 0.00 35.03 33.88 1y2f n LYS 75 CO 0.00 0.00 0.00 -0.25 -0.52 0.00 0.00 177.40 176.63 1y2f n ASP 76 N 0.94 4.85 -3.90 4.39 8.00 -1.26 -3.21 116.55 126.36 1y2f n ASP 76 Ca 0.17 -2.97 -0.09 0.00 0.71 0.00 0.00 54.79 52.61 1y2f n ASP 76 Cb 0.50 -1.62 -0.04 0.00 -0.02 0.00 0.00 41.12 39.94 1y2f n ASP 76 CO 0.00 0.00 0.00 0.72 -0.39 0.00 0.00 177.20 177.53 1y2f s PHE 77 N 2.35 0.13 0.16 1.24 -0.12 -1.26 -5.07 117.98 115.41 1y2f s PHE 77 Ca 0.46 -0.51 0.02 0.00 -0.05 0.00 0.00 56.93 56.85 1y2f s PHE 77 Cb 0.05 0.34 -0.05 0.00 -0.63 0.00 0.00 43.02 42.73 1y2f s PHE 77 CO 0.01 -1.01 -0.02 0.95 -0.05 0.00 0.00 175.22 175.10 1y2f s THR 78 N -3.96 0.75 -0.11 -4.49 -4.23 -1.26 -0.84 115.64 101.51 1y2f s THR 78 Ca 0.16 -1.98 -0.24 0.00 -1.18 0.00 0.00 61.69 58.45 1y2f s THR 78 Cb -0.02 -2.04 0.06 0.00 1.34 0.00 0.00 72.50 71.83 1y2f s THR 78 CO 0.05 -0.55 0.57 0.28 -0.54 0.00 0.00 174.62 174.43 1y2f s THR 79 N -3.61 0.01 0.06 3.99 -1.32 -0.94 -4.90 115.64 108.93 1y2f s THR 79 Ca 0.22 -0.10 0.33 0.00 -1.21 0.00 0.00 61.69 60.93 1y2f s THR 79 Cb 0.06 -0.86 0.37 0.00 -1.51 0.00 0.00 72.50 70.56 1y2f s THR 79 CO 0.03 -0.05 1.98 -0.65 -2.21 0.00 0.00 174.62 173.71 1y2f h PRO 80 N 3.98 0.00 0.00 7.08 0.11 -1.89 0.50 132.00 141.78 1y2f h PRO 80 Ca -0.28 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.83 1y2f h PRO 80 Cb 1.16 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.27 1y2f h PRO 80 CO 0.30 0.00 0.00 0.41 -0.21 0.00 0.00 178.00 178.50 1y2f n GLY 81 N -0.17 -2.42 3.09 -0.55 0.00 -1.26 -0.98 105.19 102.89 1y2f n GLY 81 Ca 0.00 -1.26 -0.13 0.00 0.00 0.00 0.00 46.02 44.64 1y2f n GLY 81 CO 0.00 0.00 0.00 -1.34 0.00 0.00 0.00 173.32 171.98 1y2f s VAL 82 N -2.21 0.58 -0.19 1.61 -7.23 -0.14 -1.69 120.40 111.13 1y2f s VAL 82 Ca 0.00 -1.26 -0.03 0.00 -1.81 0.00 0.00 61.98 58.88 1y2f s VAL 82 Cb 0.00 -0.84 -0.01 0.00 0.56 0.00 0.00 36.38 36.09 1y2f s VAL 82 CO 0.00 -0.49 -0.07 -0.89 -0.31 0.00 0.00 175.10 173.35 1y2f s THR 83 N -1.86 3.34 -0.24 5.32 2.01 0.11 -1.28 115.64 123.04 1y2f s THR 83 Ca -0.05 -0.52 -0.06 0.00 0.31 0.00 0.00 61.69 61.36 1y2f s THR 83 Cb -0.07 -2.48 -0.02 0.00 0.01 0.00 0.00 72.50 69.94 1y2f s THR 83 CO -0.01 0.46 0.04 -0.63 -0.69 0.00 0.00 174.62 173.79 1y2f s ILE 84 N 1.01 4.06 0.09 1.82 1.01 0.56 -0.79 121.20 128.96 1y2f s ILE 84 Ca -0.00 -0.26 0.08 0.00 0.00 0.00 0.00 60.65 60.48 1y2f s ILE 84 Cb -0.15 -2.89 -0.03 0.00 0.01 0.00 0.00 42.46 39.40 1y2f s ILE 84 CO -0.00 0.37 -0.22 0.72 0.00 0.00 0.00 174.94 175.81 1y2f s PHE 85 N 1.53 1.85 -0.12 3.97 -0.71 -0.47 -1.45 117.98 122.59 1y2f s PHE 85 Ca 0.06 -0.41 -0.03 0.00 -1.04 0.00 0.00 56.93 55.51 1y2f s PHE 85 Cb -0.15 -1.03 0.05 0.00 -1.21 0.00 0.00 43.02 40.68 1y2f s PHE 85 CO 0.02 0.20 0.06 1.41 -1.34 0.00 0.00 175.22 175.57 1y2f s MET 86 N -1.79 0.19 0.25 1.99 1.75 -0.52 -0.49 119.30 120.68 1y2f s MET 86 Ca 0.07 0.04 -0.30 0.00 -1.25 0.00 0.00 55.69 54.26 1y2f s MET 86 Cb -0.10 -1.33 -0.09 0.00 2.84 0.00 0.00 34.83 36.15 1y2f s MET 86 CO 0.04 -0.50 0.95 -1.14 -0.65 0.00 0.00 175.02 173.72 1y2f s GLN 87 N 2.08 4.83 -0.00 4.11 -0.44 -1.26 -1.37 119.66 127.60 1y2f s GLN 87 Ca 0.03 1.50 0.05 0.00 -2.50 0.00 0.00 55.36 54.44 1y2f s GLN 87 Cb -0.14 -3.25 -0.01 0.00 -1.64 0.00 0.00 33.01 27.96 1y2f s GLN 87 CO -0.06 0.49 -0.15 0.08 0.50 0.00 0.00 175.29 176.14 1y2f s VAL 88 N -1.20 1.22 0.93 1.34 1.01 -0.62 -4.01 120.40 119.08 1y2f s VAL 88 Ca 0.42 -0.74 -0.11 0.00 0.00 0.00 0.00 61.98 61.55 1y2f s VAL 88 Cb -0.26 -1.04 0.16 0.00 0.00 0.00 0.00 36.38 35.24 1y2f s VAL 88 CO 0.32 0.28 1.12 -2.16 0.00 0.00 0.00 175.10 174.66 1y2f s PRO 89 N -0.53 0.88 0.31 2.72 0.04 -1.26 -2.33 135.00 134.83 1y2f s PRO 89 Ca 0.05 1.33 0.04 0.00 0.04 0.00 0.00 61.00 62.47 1y2f s PRO 89 Cb -0.06 -1.73 -0.02 0.00 0.04 0.00 0.00 34.50 32.73 1y2f s PRO 89 CO -0.00 -2.65 0.16 -1.13 0.04 0.00 0.00 177.00 173.42 1y2f n SER 90 N -4.23 0.48 -4.81 6.66 3.41 -1.26 -5.08 113.62 108.80 1y2f n SER 90 Ca 0.10 -2.76 -0.36 0.00 -0.26 0.00 0.00 58.87 55.58 1y2f n SER 90 Cb 0.53 1.04 -0.06 0.00 -0.26 0.00 0.00 64.21 65.46 1y2f n SER 90 CO 0.00 0.00 0.00 -0.31 -0.16 0.00 0.00 175.04 174.57 1y2f s TYR 91 N -2.91 3.67 0.00 7.33 1.51 -1.26 -4.81 117.35 120.87 1y2f s TYR 91 Ca 0.23 1.45 0.00 0.00 -1.01 0.00 0.00 57.07 57.74 1y2f s TYR 91 Cb 0.01 -2.66 0.00 0.00 -0.11 0.00 0.00 41.96 39.20 1y2f s TYR 91 CO 0.16 0.33 0.00 0.41 -1.11 0.00 0.00 175.55 175.34 1y2f n GLY 92 N 0.74 -0.18 3.55 0.71 0.00 -1.26 -4.67 105.19 104.08 1y2f n GLY 92 Ca -0.02 -1.08 -0.40 0.00 0.00 0.00 0.00 46.02 44.53 1y2f n GLY 92 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 1y2f s ASP 93 N -4.00 6.05 0.37 1.61 2.15 -1.26 -4.98 116.67 116.61 1y2f s ASP 93 Ca 0.00 -0.31 0.04 0.00 0.43 0.00 0.00 52.55 52.71 1y2f s ASP 93 Cb 0.00 -2.14 0.70 0.00 -0.30 0.00 0.00 42.92 41.18 1y2f s ASP 93 CO 0.00 -0.19 2.02 -0.08 -0.17 0.00 0.00 175.17 176.75 1y2f h GLU 94 N 8.46 0.75 -0.02 4.34 4.57 -1.87 0.24 114.58 131.03 1y2f h GLU 94 Ca -0.32 -0.05 -0.21 0.00 -1.18 0.00 0.00 59.36 57.61 1y2f h GLU 94 Cb 1.17 -0.17 -0.00 0.00 -0.16 0.00 0.00 28.75 29.59 1y2f h GLU 94 CO 0.61 0.50 -0.86 -0.07 -1.18 0.00 0.00 179.01 178.01 1y2f h LEU 95 N 0.77 0.45 -0.60 1.64 3.38 -1.97 0.32 115.31 119.30 1y2f h LEU 95 Ca 0.21 -0.34 -0.15 0.00 0.09 0.00 0.00 57.88 57.69 1y2f h LEU 95 Cb -0.08 -0.14 -0.01 0.00 0.09 0.00 0.00 40.66 40.52 1y2f h LEU 95 CO -0.04 1.12 -0.52 -0.61 0.09 0.00 0.00 178.44 178.48 1y2f h GLN 96 N 0.22 0.48 -0.27 1.13 4.15 -1.86 -1.92 115.11 117.05 1y2f h GLN 96 Ca -0.06 -0.29 -0.05 0.00 0.77 0.00 0.00 58.65 59.02 1y2f h GLN 96 Cb 1.47 0.03 -0.02 0.00 0.21 0.00 0.00 27.48 29.17 1y2f h GLN 96 CO 0.14 0.89 -0.06 -0.91 -1.93 0.00 0.00 178.83 176.96 1y2f h ASN 97 N 0.38 0.40 -0.33 -0.69 2.35 -0.42 -2.73 115.58 114.53 1y2f h ASN 97 Ca 0.01 -0.08 -0.04 0.00 -0.55 0.00 0.00 56.30 55.64 1y2f h ASN 97 Cb 1.04 -0.10 -0.01 0.00 0.05 0.00 0.00 38.32 39.29 1y2f h ASN 97 CO 0.09 0.51 0.04 0.15 -1.65 0.00 0.00 177.43 176.57 1y2f h PHE 98 N 0.40 0.60 -0.80 1.19 3.57 -0.48 -0.65 116.94 120.77 1y2f h PHE 98 Ca 0.08 -0.09 0.03 0.00 3.53 0.00 0.00 57.97 61.52 1y2f h PHE 98 Cb 0.36 -0.16 -0.05 0.00 2.79 0.00 0.00 35.95 38.89 1y2f h PHE 98 CO 0.01 0.64 0.51 0.87 -2.23 0.00 0.00 178.31 178.12 1y2f h LYS 99 N 0.38 0.99 -0.49 1.11 1.57 -1.27 -0.32 116.57 118.54 1y2f h LYS 99 Ca 0.10 -0.06 -0.13 0.00 -1.87 0.00 0.00 60.65 58.69 1y2f h LYS 99 Cb 0.38 -0.22 -0.01 0.00 0.08 0.00 0.00 32.23 32.45 1y2f h LYS 99 CO 0.01 0.65 -0.21 1.25 -0.57 0.00 0.00 179.45 180.59 1y2f h LEU 100 N 1.02 1.03 -0.14 2.94 5.85 -1.33 -1.34 115.31 123.33 1y2f h LEU 100 Ca 0.31 -0.39 0.00 0.00 0.84 0.00 0.00 57.88 58.64 1y2f h LEU 100 Cb -0.03 -0.28 -0.01 0.00 0.37 0.00 0.00 40.66 40.71 1y2f h LEU 100 CO -0.10 1.19 0.09 -0.03 -0.34 0.00 0.00 178.44 179.25 1y2f h MET 101 N 0.86 0.17 -0.78 1.25 4.05 -0.53 0.09 114.93 120.05 1y2f h MET 101 Ca 0.11 -0.01 -0.01 0.00 -0.28 0.00 0.00 59.70 59.51 1y2f h MET 101 Cb 0.79 -0.04 -0.04 0.00 -0.80 0.00 0.00 31.60 31.51 1y2f h MET 101 CO 0.07 0.11 0.45 1.25 0.23 0.00 0.00 176.91 179.02 1y2f h LEU 102 N 0.18 0.96 -0.56 3.39 5.85 -0.92 -0.79 115.31 123.42 1y2f h LEU 102 Ca 0.05 -0.08 -0.11 0.00 0.84 0.00 0.00 57.88 58.58 1y2f h LEU 102 Cb -0.01 -0.24 -0.02 0.00 0.37 0.00 0.00 40.66 40.76 1y2f h LEU 102 CO -0.02 0.76 -0.08 1.56 -0.34 0.00 0.00 178.44 180.32 1y2f h GLN 103 N 1.07 1.04 -0.20 1.25 4.20 -1.02 -0.19 115.11 121.27 1y2f h GLN 103 Ca 0.28 -0.37 0.00 0.00 0.06 0.00 0.00 58.65 58.62 1y2f h GLN 103 Cb -0.00 -0.07 -0.01 0.00 0.30 0.00 0.00 27.48 27.70 1y2f h GLN 103 CO -0.05 1.06 0.13 0.77 -0.67 0.00 0.00 178.83 180.07 1y2f h SER 104 N 0.92 0.22 -0.17 1.46 0.02 -0.54 0.49 113.55 115.95 1y2f h SER 104 Ca 0.15 -0.00 0.03 0.00 -0.84 0.00 0.00 61.79 61.12 1y2f h SER 104 Cb 0.65 -0.05 -0.03 0.00 0.14 0.00 0.00 62.40 63.10 1y2f h SER 104 CO 0.04 0.16 -0.02 0.00 -1.14 0.00 0.00 176.83 175.88 1y2f h ALA 105 N 1.07 0.13 -0.42 3.77 0.00 -0.78 -1.10 119.26 121.94 1y2f h ALA 105 Ca 0.07 0.06 -0.02 0.00 0.00 0.00 0.00 54.91 55.01 1y2f h ALA 105 Cb -0.03 0.10 -0.02 0.00 0.00 0.00 0.00 17.79 17.84 1y2f h ALA 105 CO -0.02 -0.46 0.17 0.37 0.00 0.00 0.00 179.25 179.31 1y2f h GLN 106 N 0.03 0.62 -0.32 0.00 5.75 -0.84 -1.35 115.11 119.00 1y2f h GLN 106 Ca 0.08 -0.11 0.02 0.00 -0.15 0.00 0.00 58.65 58.49 1y2f h GLN 106 Cb 0.11 -0.10 -0.02 0.00 1.07 0.00 0.00 27.48 28.53 1y2f h GLN 106 CO -0.15 0.58 0.18 0.45 -2.65 0.00 0.00 178.83 177.23 1y2f h HIS 107 N 0.53 0.33 -0.08 3.99 3.86 -0.66 0.73 115.15 123.84 1y2f h HIS 107 Ca 0.14 0.01 -0.00 0.00 -1.16 0.00 0.00 60.37 59.36 1y2f h HIS 107 Cb 0.19 -0.10 -0.00 0.00 1.06 0.00 0.00 27.41 28.56 1y2f h HIS 107 CO 0.00 0.19 0.05 0.82 0.86 0.00 0.00 177.93 179.84 1y2f h ILE 108 N 0.36 1.07 0.04 2.45 2.04 -1.08 -1.60 117.51 120.80 1y2f h ILE 108 Ca 0.13 -0.20 0.03 0.00 1.00 0.00 0.00 64.86 65.82 1y2f h ILE 108 Cb 0.02 1.05 -0.04 0.00 -0.74 0.00 0.00 36.82 37.12 1y2f h ILE 108 CO -0.08 0.06 -0.26 0.00 0.00 0.00 0.00 178.15 177.88 1y2f h ALA 109 N 0.97 -0.39 -0.35 1.87 0.00 -0.91 0.68 119.26 121.12 1y2f h ALA 109 Ca 0.03 -0.02 0.07 0.00 0.00 0.00 0.00 54.91 54.99 1y2f h ALA 109 Cb 0.06 0.45 -0.06 0.00 0.00 0.00 0.00 17.79 18.23 1y2f h ALA 109 CO -0.01 -0.78 -0.07 -0.44 0.00 0.00 0.00 179.25 177.96 1y2f h ASP 110 N -0.43 -0.29 -0.55 0.00 3.32 -0.78 0.11 116.42 117.80 1y2f h ASP 110 Ca 0.05 0.10 -0.02 0.00 0.02 0.00 0.00 57.03 57.18 1y2f h ASP 110 Cb 0.49 0.20 -0.03 0.00 0.22 0.00 0.00 39.33 40.21 1y2f h ASP 110 CO -0.20 -0.10 0.26 -0.33 -1.72 0.00 0.00 179.24 177.15 1y2f h GLU 111 N 0.02 0.83 -0.52 3.56 5.08 -0.67 -3.00 114.58 119.88 1y2f h GLU 111 Ca 0.17 -0.11 0.00 0.00 -1.00 0.00 0.00 59.36 58.42 1y2f h GLU 111 Cb 0.25 -0.16 0.00 0.00 0.50 0.00 0.00 28.75 29.35 1y2f h GLU 111 CO -0.35 0.66 0.00 1.33 -1.00 0.00 0.00 179.01 179.65 1y2f n VAL 112 N -4.35 0.69 -2.25 3.13 0.24 0.18 -4.93 118.33 111.04 1y2f n VAL 112 Ca 0.05 -0.78 -0.15 0.00 -2.04 0.00 0.00 64.34 61.43 1y2f n VAL 112 Cb 0.14 0.60 -0.01 0.00 -1.47 0.00 0.00 33.84 33.10 1y2f n VAL 112 CO 0.00 0.00 0.00 0.61 -2.14 0.00 0.00 176.83 175.30 1y2f n GLY 113 N 1.48 -0.17 0.00 7.63 0.00 -0.22 -4.81 105.19 109.11 1y2f n GLY 113 Ca 0.20 -0.28 0.00 0.00 0.00 0.00 0.00 46.02 45.95 1y2f n GLY 113 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1y2f n GLY 114 N -1.02 3.94 3.16 -0.02 0.00 0.20 -4.56 105.19 106.89 1y2f n GLY 114 Ca -0.17 -2.11 -0.12 0.00 0.00 0.00 0.00 46.02 43.63 1y2f n GLY 114 CO 0.00 0.00 0.00 -1.34 0.00 0.00 0.00 173.32 171.98 1y2f s VAL 115 N 0.69 0.74 -0.23 1.61 -7.23 0.22 -4.47 120.40 111.73 1y2f s VAL 115 Ca 0.00 -1.82 -0.14 0.00 -1.81 0.00 0.00 61.98 58.21 1y2f s VAL 115 Cb 0.00 -1.54 -0.04 0.00 0.56 0.00 0.00 36.38 35.36 1y2f s VAL 115 CO 0.00 -0.77 0.33 -0.69 -0.31 0.00 0.00 175.10 173.66 1y2f s VAL 116 N -3.22 5.23 0.18 1.32 1.01 -1.26 -0.72 120.40 122.95 1y2f s VAL 116 Ca 0.09 0.53 0.11 0.00 0.00 0.00 0.00 61.98 62.70 1y2f s VAL 116 Cb 0.02 -3.66 -0.04 0.00 0.00 0.00 0.00 36.38 32.70 1y2f s VAL 116 CO -0.03 0.24 -0.23 -0.76 0.00 0.00 0.00 175.10 174.32 1y2f s LEU 117 N 1.52 2.43 0.00 3.92 1.43 0.13 -1.62 118.68 126.48 1y2f s LEU 117 Ca 0.15 -0.85 -0.06 0.00 -1.03 0.00 0.00 54.13 52.33 1y2f s LEU 117 Cb -0.15 -1.08 0.09 0.00 0.03 0.00 0.00 46.19 45.08 1y2f s LEU 117 CO 0.08 0.08 0.50 -0.90 0.23 0.00 0.00 176.35 176.34 1y2f n ASP 118 N 0.33 -0.05 0.32 2.29 5.68 0.11 -0.07 116.55 125.16 1y2f n ASP 118 Ca -0.13 -1.15 0.20 0.00 -0.50 0.00 0.00 54.79 53.20 1y2f n ASP 118 Cb 0.56 -0.38 1.06 0.00 -1.14 0.00 0.00 41.12 41.22 1y2f n ASP 118 CO 0.00 0.00 0.00 -2.24 -1.33 0.00 0.00 177.20 173.63 1y2f h ASP 119 N -0.73 0.00 -0.67 -1.12 2.03 -1.83 0.90 116.42 115.00 1y2f h ASP 119 Ca -0.16 0.00 0.00 0.00 -0.73 0.00 0.00 57.03 56.14 1y2f h ASP 119 Cb 0.45 0.00 0.00 0.00 -0.83 0.00 0.00 39.33 38.95 1y2f h ASP 119 CO 0.11 0.00 0.00 0.00 -1.03 0.00 0.00 179.24 178.32 1y2f n GLN 120 N -3.15 3.41 -2.05 4.15 1.13 -1.26 -4.92 117.38 114.69 1y2f n GLN 120 Ca -0.02 -2.82 -0.14 0.00 -1.94 0.00 0.00 57.00 52.08 1y2f n GLN 120 Cb 0.18 -1.78 -0.02 0.00 0.11 0.00 0.00 30.24 28.72 1y2f n GLN 120 CO 0.00 0.00 0.00 0.54 -1.44 0.00 0.00 177.06 176.16 1y2f n ARG 121 N 1.28 -1.07 -4.35 -1.09 5.12 0.31 -5.00 116.66 111.86 1y2f n ARG 121 Ca 0.25 0.75 -0.35 0.00 -1.93 0.00 0.00 57.85 56.57 1y2f n ARG 121 Cb 0.80 -4.97 -0.09 0.00 -1.16 0.00 0.00 32.46 27.04 1y2f n ARG 121 CO 0.00 0.00 0.00 1.03 -1.93 0.00 0.00 177.63 176.73 1y2f s ARG 122 N -4.32 3.04 0.11 5.56 1.81 -1.26 -4.79 118.95 119.10 1y2f s ARG 122 Ca 0.00 -0.40 -0.35 0.00 -1.72 0.00 0.00 55.73 53.26 1y2f s ARG 122 Cb 0.00 -2.82 -0.17 0.00 -0.45 0.00 0.00 34.95 31.51 1y2f s ARG 122 CO 0.00 0.68 1.18 -1.33 -0.68 0.00 0.00 175.30 175.15 1y2f n MET 123 N 2.21 0.87 -1.73 3.54 2.81 -1.26 0.07 117.12 123.63 1y2f n MET 123 Ca -0.19 0.31 -0.42 0.00 -1.81 0.00 0.00 57.70 55.60 1y2f n MET 123 Cb 0.54 -1.84 -0.02 0.00 -0.71 0.00 0.00 33.22 31.19 1y2f n MET 123 CO 0.00 0.00 0.00 -0.12 1.51 0.00 0.00 175.97 177.36 1y2f n MET 124 N 1.96 2.70 -4.43 0.03 1.56 -0.64 -4.71 117.12 113.58 1y2f n MET 124 Ca 0.17 0.96 -0.22 0.00 -0.27 0.00 0.00 57.70 58.35 1y2f n MET 124 Cb 0.19 -2.76 -0.10 0.00 2.15 0.00 0.00 33.22 32.70 1y2f n MET 124 CO 0.00 0.00 0.00 0.95 -0.73 0.00 0.00 175.97 176.19 1y2f s THR 125 N 0.34 2.02 0.24 1.12 -4.23 -1.26 -5.04 115.64 108.82 1y2f s THR 125 Ca 0.67 -2.25 -0.07 0.00 -1.18 0.00 0.00 61.69 58.87 1y2f s THR 125 Cb -0.51 -2.31 0.22 0.00 1.34 0.00 0.00 72.50 71.25 1y2f s THR 125 CO 0.44 -0.41 1.90 -0.65 -0.54 0.00 0.00 174.62 175.36 1y2f h PRO 126 N 2.32 1.14 -0.88 3.99 0.11 -2.00 -1.84 132.00 134.84 1y2f h PRO 126 Ca -0.40 -0.07 0.03 0.00 0.11 0.00 0.00 66.00 65.68 1y2f h PRO 126 Cb 1.24 -0.26 -0.05 0.00 0.11 0.00 0.00 31.00 32.04 1y2f h PRO 126 CO 0.64 0.75 0.57 -0.56 -0.21 0.00 0.00 178.00 179.19 1y2f h GLN 127 N 1.17 1.08 -0.56 1.05 -0.00 -1.99 -1.89 115.11 113.97 1y2f h GLN 127 Ca 0.35 -0.06 -0.00 0.00 -0.00 0.00 0.00 58.65 58.94 1y2f h GLN 127 Cb -0.05 -0.24 -0.03 0.00 -0.00 0.00 0.00 27.48 27.16 1y2f h GLN 127 CO -0.10 0.71 0.35 -0.22 -0.00 0.00 0.00 178.83 179.57 1y2f h LYS 128 N 1.11 0.76 -0.14 0.06 1.63 -1.75 0.16 116.57 118.39 1y2f h LYS 128 Ca 0.35 -0.07 0.03 0.00 -0.85 0.00 0.00 60.65 60.11 1y2f h LYS 128 Cb 0.01 -0.16 -0.03 0.00 -0.60 0.00 0.00 32.23 31.45 1y2f h LYS 128 CO -0.12 0.54 -0.02 -0.07 -3.45 0.00 0.00 179.45 176.34 1y2f h LEU 129 N 0.76 -0.10 -0.84 5.20 3.38 -1.04 0.14 115.31 122.82 1y2f h LEU 129 Ca 0.20 0.04 0.02 0.00 0.09 0.00 0.00 57.88 58.23 1y2f h LEU 129 Cb -0.03 0.07 -0.05 0.00 0.09 0.00 0.00 40.66 40.75 1y2f h LEU 129 CO -0.04 -0.03 0.55 0.03 0.09 0.00 0.00 178.44 179.04 1y2f h ARG 130 N 0.02 1.06 -0.66 1.13 3.08 -0.99 -1.91 114.38 116.12 1y2f h ARG 130 Ca 0.07 -0.06 0.02 0.00 0.07 0.00 0.00 59.98 60.08 1y2f h ARG 130 Cb 0.09 -0.24 -0.04 0.00 0.08 0.00 0.00 29.97 29.87 1y2f h ARG 130 CO -0.13 0.70 0.41 1.49 -1.07 0.00 0.00 179.97 181.37 1y2f h GLU 131 N 1.09 0.80 -0.65 0.04 4.81 0.42 -0.77 114.58 120.32 1y2f h GLU 131 Ca 0.32 -0.05 0.05 0.00 -0.13 0.00 0.00 59.36 59.55 1y2f h GLU 131 Cb -0.06 -0.18 -0.05 0.00 0.63 0.00 0.00 28.75 29.09 1y2f h GLU 131 CO -0.09 0.53 0.38 1.88 -0.73 0.00 0.00 179.01 180.97 1y2f h TYR 132 N 0.82 0.69 -0.27 0.92 0.99 -0.17 -1.57 116.97 118.39 1y2f h TYR 132 Ca 0.26 0.02 -0.06 0.00 2.00 0.00 0.00 58.73 60.95 1y2f h TYR 132 Cb -0.01 -0.22 -0.02 0.00 1.00 0.00 0.00 36.73 37.49 1y2f h TYR 132 CO -0.04 0.35 -0.10 1.96 -0.00 0.00 0.00 178.16 180.33 1y2f h GLN 133 N 0.71 0.44 -0.40 4.88 4.20 -0.58 -1.52 115.11 122.83 1y2f h GLN 133 Ca 0.28 -0.11 -0.14 0.00 0.06 0.00 0.00 58.65 58.74 1y2f h GLN 133 Cb 0.13 -0.05 -0.01 0.00 0.30 0.00 0.00 27.48 27.85 1y2f h GLN 133 CO -0.16 0.55 -0.30 -0.44 -0.67 0.00 0.00 178.83 177.81 1y2f h ASP 134 N 0.41 0.93 -0.29 1.46 3.32 -0.35 -0.79 116.42 121.12 1y2f h ASP 134 Ca 0.08 -0.38 -0.02 0.00 0.02 0.00 0.00 57.03 56.73 1y2f h ASP 134 Cb 0.43 -0.26 -0.01 0.00 0.22 0.00 0.00 39.33 39.71 1y2f h ASP 134 CO 0.02 1.15 0.10 0.40 -1.72 0.00 0.00 179.24 179.20 1y2f h ILE 135 N 0.75 1.19 -0.57 0.35 2.04 -0.87 0.55 117.51 120.95 1y2f h ILE 135 Ca 0.08 -0.59 0.02 0.00 1.00 0.00 0.00 64.86 65.37 1y2f h ILE 135 Cb 0.87 1.04 -0.04 0.00 -0.74 0.00 0.00 36.82 37.95 1y2f h ILE 135 CO 0.08 0.20 0.35 0.40 0.00 0.00 0.00 178.15 179.18 1y2f h ILE 136 N 0.31 1.07 -0.24 -0.67 2.04 -1.20 0.56 117.51 119.39 1y2f h ILE 136 Ca 0.10 -0.24 -0.13 0.00 1.00 0.00 0.00 64.86 65.58 1y2f h ILE 136 Cb 0.21 0.32 -0.01 0.00 -0.74 0.00 0.00 36.82 36.60 1y2f h ILE 136 CO -0.01 0.13 -0.40 -0.09 0.00 0.00 0.00 178.15 177.78 1y2f h ARG 137 N 0.69 0.56 -0.18 2.37 1.12 -0.82 -1.82 114.38 116.30 1y2f h ARG 137 Ca 0.23 -0.28 0.02 0.00 -1.11 0.00 0.00 59.98 58.83 1y2f h ARG 137 Cb 0.01 0.00 -0.02 0.00 -0.01 0.00 0.00 29.97 29.96 1y2f h ARG 137 CO -0.09 0.87 0.06 1.49 -3.11 0.00 0.00 179.97 179.18 1y2f h GLU 138 N 0.46 0.14 -0.60 0.20 4.81 0.10 -1.49 114.58 118.21 1y2f h GLU 138 Ca 0.04 -0.01 0.00 0.00 -0.13 0.00 0.00 59.36 59.27 1y2f h GLU 138 Cb 0.90 -0.03 -0.03 0.00 0.63 0.00 0.00 28.75 30.22 1y2f h GLU 138 CO 0.08 0.09 0.39 0.28 -0.73 0.00 0.00 179.01 179.13 1y2f h VAL 139 N 0.15 1.16 -0.25 0.32 2.07 -0.76 -2.60 116.25 116.34 1y2f h VAL 139 Ca 0.08 -0.30 -0.04 0.00 0.82 0.00 0.00 66.70 67.26 1y2f h VAL 139 Cb 0.05 0.28 -0.01 0.00 -1.52 0.00 0.00 31.29 30.09 1y2f h VAL 139 CO -0.08 0.15 -0.01 0.50 0.02 0.00 0.00 177.57 178.15 1y2f h LYS 140 N 0.82 0.44 0.00 1.57 3.64 -0.57 -2.94 116.57 119.53 1y2f h LYS 140 Ca 0.22 -0.15 0.00 0.00 -1.27 0.00 0.00 60.65 59.45 1y2f h LYS 140 Cb -0.09 -0.04 0.00 0.00 -0.41 0.00 0.00 32.23 31.70 1y2f h LYS 140 CO -0.05 0.63 0.00 -0.25 -2.27 0.00 0.00 179.45 177.51 1y2f n ASP 141 N -4.62 0.69 -0.76 4.20 8.00 -0.63 -2.04 116.55 121.39 1y2f n ASP 141 Ca -0.04 0.62 0.09 0.00 0.71 0.00 0.00 54.79 56.17 1y2f n ASP 141 Cb 0.25 -0.79 0.10 0.00 -0.02 0.00 0.00 41.12 40.67 1y2f n ASP 141 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 1y2f n ALA 142 N -1.77 2.44 -0.47 2.24 0.00 -1.01 -3.80 120.51 118.14 1y2f n ALA 142 Ca 0.04 -0.75 0.06 0.00 0.00 0.00 0.00 53.44 52.79 1y2f n ALA 142 Cb 0.31 -0.61 0.18 0.00 0.00 0.00 0.00 19.45 19.32 1y2f n ALA 142 CO 0.00 0.00 0.00 0.09 0.00 0.00 0.00 177.50 177.59 1y2f n ASN 143 N 1.01 3.15 0.00 0.00 5.03 -0.86 -4.82 115.26 118.77 1y2f n ASN 143 Ca 0.12 -2.38 0.00 0.00 0.87 0.00 0.00 54.58 53.19 1y2f n ASN 143 Cb 0.46 -0.32 0.00 0.00 -1.02 0.00 0.00 39.78 38.89 1y2f n ASN 143 CO 0.00 0.00 0.00 0.00 -1.83 0.00 0.00 177.26 175.43