#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2ysm h SER 2 N 0.00 -1.85 0.00 1.61 0.02 -2.03 -3.35 113.55 107.94 2ysm h SER 2 Ca 0.00 0.25 -0.27 0.00 -0.84 0.00 0.00 61.79 60.93 2ysm h SER 2 Cb 0.00 0.78 -0.04 0.00 0.14 0.00 0.00 62.40 63.27 2ysm h SER 2 CO 0.00 -0.34 -1.84 -1.54 -1.14 0.00 0.00 176.83 171.96 2ysm n SER 3 N -5.22 1.46 0.00 3.07 3.41 -1.26 -5.07 113.62 110.01 2ysm n SER 3 Ca -0.02 0.25 0.00 0.00 -0.26 0.00 0.00 58.87 58.84 2ysm n SER 3 Cb 0.31 -0.59 0.00 0.00 -0.26 0.00 0.00 64.21 63.66 2ysm n SER 3 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 2ysm n GLY 4 N 1.80 -0.26 3.98 5.00 0.00 -1.26 -5.17 105.19 109.28 2ysm n GLY 4 Ca -0.34 0.12 -0.20 0.00 0.00 0.00 0.00 46.02 45.61 2ysm n GLY 4 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 2ysm s SER 5 N 0.00 5.73 -0.06 1.61 0.01 -1.26 -5.12 113.70 114.61 2ysm s SER 5 Ca 0.00 -0.09 -0.02 0.00 1.31 0.00 0.00 55.95 57.15 2ysm s SER 5 Cb 0.00 -1.10 0.04 0.00 0.21 0.00 0.00 66.02 65.17 2ysm s SER 5 CO 0.00 -0.72 0.11 -0.94 0.41 0.00 0.00 173.24 172.11 2ysm s SER 6 N -4.28 0.37 0.00 2.44 1.04 -1.26 -5.07 113.70 106.95 2ysm s SER 6 Ca 0.51 0.22 0.00 0.00 0.48 0.00 0.00 55.95 57.15 2ysm s SER 6 Cb -0.10 0.11 0.00 0.00 0.10 0.00 0.00 66.02 66.13 2ysm s SER 6 CO 0.35 -0.19 0.00 0.61 0.98 0.00 0.00 173.24 174.99 2ysm n GLY 7 N 4.70 1.70 3.55 7.32 0.00 -1.26 -5.08 105.19 116.13 2ysm n GLY 7 Ca -0.17 -0.92 -0.36 0.00 0.00 0.00 0.00 46.02 44.57 2ysm n GLY 7 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2ysm s ALA 8 N -2.00 2.05 0.36 4.61 0.00 -1.26 -4.96 121.76 120.57 2ysm s ALA 8 Ca 0.00 -0.82 0.07 0.00 0.00 0.00 0.00 51.96 51.21 2ysm s ALA 8 Cb 0.00 -4.36 -0.02 0.00 0.00 0.00 0.00 23.12 18.74 2ysm s ALA 8 CO 0.00 -4.10 0.35 -0.80 0.00 0.00 0.00 175.76 171.21 2ysm s ASN 9 N 8.15 5.32 -0.15 0.00 -0.87 -1.26 -4.73 114.94 121.40 2ysm s ASN 9 Ca 0.68 -0.52 -0.38 0.00 -1.57 0.00 0.00 52.86 51.07 2ysm s ASN 9 Cb -0.11 -0.87 -0.15 0.00 -0.02 0.00 0.00 41.25 40.10 2ysm s ASN 9 CO 0.16 -0.47 1.72 0.00 -2.57 0.00 0.00 177.10 175.94 2ysm n ALA 11 N 5.21 2.27 -0.02 0.00 0.00 -1.04 0.19 120.51 127.12 2ysm n ALA 11 Ca 0.24 -0.08 -0.03 0.00 0.00 0.00 0.00 53.44 53.57 2ysm n ALA 11 Cb 0.19 -1.21 -0.03 0.00 0.00 0.00 0.00 19.45 18.40 2ysm n ALA 11 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 177.50 177.78 2ysm n VAL 12 N -0.79 0.32 -1.43 0.00 0.31 -1.26 -4.74 118.33 110.74 2ysm n VAL 12 Ca 0.10 -0.18 0.04 0.00 -0.01 0.00 0.00 64.34 64.29 2ysm n VAL 12 Cb 0.04 -0.84 0.06 0.00 -0.91 0.00 0.00 33.84 32.19 2ysm n VAL 12 CO 0.00 0.00 0.00 0.00 -1.32 0.00 0.00 176.83 175.51 2ysm n ASP 14 N -0.62 -0.39 -4.08 0.00 8.00 0.50 -4.83 116.55 115.14 2ysm n ASP 14 Ca 0.07 -0.77 -0.18 0.00 0.71 0.00 0.00 54.79 54.61 2ysm n ASP 14 Cb 0.63 -0.98 -0.14 0.00 -0.02 0.00 0.00 41.12 40.62 2ysm n ASP 14 CO 0.00 0.00 0.00 -0.55 -0.39 0.00 0.00 177.20 176.26 2ysm s SER 15 N -3.01 1.28 0.18 -2.24 0.15 -1.24 -4.71 113.70 104.11 2ysm s SER 15 Ca 0.29 -0.35 -0.07 0.00 0.70 0.00 0.00 55.95 56.52 2ysm s SER 15 Cb -0.17 -0.09 0.07 0.00 -1.71 0.00 0.00 66.02 64.12 2ysm s SER 15 CO 0.62 0.03 1.52 1.55 1.20 0.00 0.00 173.24 178.16 2ysm h PRO 16 N 5.26 0.77 0.00 5.44 0.13 -1.89 0.46 132.00 142.17 2ysm h PRO 16 Ca -0.35 -0.41 0.00 0.00 -0.87 0.00 0.00 66.00 64.38 2ysm h PRO 16 Cb 1.18 0.01 0.00 0.00 0.13 0.00 0.00 31.00 32.33 2ysm h PRO 16 CO 0.46 1.03 0.00 0.41 -0.23 0.00 0.00 178.00 179.67 2ysm n GLY 17 N 0.09 1.92 3.83 1.56 0.00 -1.26 -4.25 105.19 107.08 2ysm n GLY 17 Ca -0.02 0.18 -0.37 0.00 0.00 0.00 0.00 46.02 45.80 2ysm n GLY 17 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 2ysm s ASP 18 N -3.38 6.61 0.07 1.61 1.11 -1.26 -4.98 116.67 116.44 2ysm s ASP 18 Ca 0.00 0.72 0.22 0.00 0.18 0.00 0.00 52.55 53.67 2ysm s ASP 18 Cb 0.00 -2.18 -0.18 0.00 1.07 0.00 0.00 42.92 41.63 2ysm s ASP 18 CO 0.00 0.32 0.72 0.18 1.18 0.00 0.00 175.17 177.57 2ysm n LEU 19 N 2.16 0.42 -0.02 1.23 7.99 -1.26 -3.67 117.00 123.85 2ysm n LEU 19 Ca -0.16 0.17 -0.15 0.00 -0.01 0.00 0.00 56.01 55.86 2ysm n LEU 19 Cb 0.53 0.01 -0.14 0.00 -0.11 0.00 0.00 43.42 43.71 2ysm n LEU 19 CO 0.36 -0.04 -0.73 0.18 -1.51 0.00 0.00 177.39 175.65 2ysm n LEU 20 N -2.51 1.67 -0.08 2.23 4.77 -1.26 -4.29 117.00 117.54 2ysm n LEU 20 Ca -0.04 0.27 -0.12 0.00 -0.03 0.00 0.00 56.01 56.09 2ysm n LEU 20 Cb 0.61 -0.41 -0.05 0.00 -2.33 0.00 0.00 43.42 41.24 2ysm n LEU 20 CO 0.43 0.62 0.65 0.44 -1.33 0.00 0.00 177.39 178.20 2ysm h ASP 21 N 0.03 0.54 -4.29 -1.43 5.19 -1.97 -3.44 116.42 111.04 2ysm h ASP 21 Ca -0.38 -0.42 -0.51 0.00 -0.62 0.00 0.00 57.03 55.10 2ysm h ASP 21 Cb 2.03 -0.15 0.12 0.00 0.18 0.00 0.00 39.33 41.51 2ysm h ASP 21 CO 0.07 0.84 0.34 0.00 -3.12 0.00 0.00 179.24 177.37 2ysm s GLN 22 N -4.54 2.47 0.11 3.56 1.03 -1.24 -4.20 119.66 116.85 2ysm s GLN 22 Ca -0.13 1.19 0.02 0.00 0.04 0.00 0.00 55.36 56.47 2ysm s GLN 22 Cb 0.07 -1.92 -0.04 0.00 0.03 0.00 0.00 33.01 31.15 2ysm s GLN 22 CO 0.78 -1.48 0.22 -0.06 -2.54 0.00 0.00 175.29 172.20 2ysm s PHE 23 N -2.80 3.43 -0.25 9.60 0.40 -0.82 -4.86 117.98 122.69 2ysm s PHE 23 Ca 0.62 0.15 -0.04 0.00 -0.60 0.00 0.00 56.93 57.06 2ysm s PHE 23 Cb -0.17 -1.68 0.01 0.00 0.51 0.00 0.00 43.02 41.68 2ysm s PHE 23 CO 0.53 0.55 -0.01 0.12 0.70 0.00 0.00 175.22 177.10 2ysm s PHE 24 N -1.61 3.05 0.57 0.36 5.36 -1.26 -2.97 117.98 121.48 2ysm s PHE 24 Ca 0.34 -1.10 -0.19 0.00 -0.96 0.00 0.00 56.93 55.02 2ysm s PHE 24 Cb -0.12 -2.14 -0.04 0.00 -0.34 0.00 0.00 43.02 40.38 2ysm s PHE 24 CO 0.27 -0.60 1.13 0.00 -1.46 0.00 0.00 175.22 174.57 2ysm n THR 26 N -1.55 0.78 0.00 0.00 -2.24 -1.26 -3.36 114.28 106.65 2ysm n THR 26 Ca 0.12 -0.67 0.00 0.00 -2.27 0.00 0.00 64.05 61.23 2ysm n THR 26 Cb 0.51 -0.35 0.00 0.00 -2.10 0.00 0.00 70.33 68.39 2ysm n THR 26 CO 0.00 0.00 0.00 0.41 -0.57 0.00 0.00 175.07 174.91 2ysm n THR 27 N -2.59 0.00 0.00 4.28 -1.04 -1.26 -4.63 114.28 109.04 2ysm n THR 27 Ca -0.15 0.54 -0.20 0.00 -2.04 0.00 0.00 64.05 62.20 2ysm n THR 27 Cb 0.83 -1.52 -0.14 0.00 -1.82 0.00 0.00 70.33 67.69 2ysm n THR 27 CO 0.00 0.00 0.00 0.00 -0.64 0.00 0.00 175.07 174.43 2ysm n GLY 29 N 1.67 0.50 3.78 0.00 0.00 -1.21 -5.03 105.19 104.89 2ysm n GLY 29 Ca -0.19 -0.17 -0.22 0.00 0.00 0.00 0.00 46.02 45.43 2ysm n GLY 29 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 2ysm s GLN 30 N -0.62 2.49 -0.10 1.61 -1.52 -1.26 -4.80 119.66 115.46 2ysm s GLN 30 Ca 0.00 -1.48 0.01 0.00 -1.95 0.00 0.00 55.36 51.94 2ysm s GLN 30 Cb 0.00 -2.27 -0.02 0.00 -0.22 0.00 0.00 33.01 30.49 2ysm s GLN 30 CO 0.00 0.08 -0.11 -1.01 -0.25 0.00 0.00 175.29 174.00 2ysm s HIS 31 N -2.40 2.83 -0.05 0.91 3.76 -1.26 -2.45 115.29 116.62 2ysm s HIS 31 Ca 0.39 -0.32 -0.01 0.00 -0.15 0.00 0.00 55.06 54.97 2ysm s HIS 31 Cb -0.03 -1.77 0.03 0.00 1.11 0.00 0.00 32.58 31.92 2ysm s HIS 31 CO 0.24 0.04 -0.00 0.71 -0.85 0.00 0.00 174.74 174.88 2ysm s TYR 32 N -0.20 0.54 0.36 1.40 1.51 -1.16 -2.49 117.35 117.31 2ysm s TYR 32 Ca 0.01 -0.09 -0.28 0.00 -1.01 0.00 0.00 57.07 55.70 2ysm s TYR 32 Cb -0.13 -0.65 -0.10 0.00 -0.11 0.00 0.00 41.96 40.96 2ysm s TYR 32 CO 0.03 -0.24 1.36 -1.01 -1.11 0.00 0.00 175.55 174.57 2ysm s HIS 33 N 1.58 2.88 0.35 2.71 3.76 -1.26 -1.94 115.29 123.37 2ysm s HIS 33 Ca -0.01 1.34 0.38 0.00 -0.15 0.00 0.00 55.06 56.62 2ysm s HIS 33 Cb -0.13 -3.78 1.94 0.00 1.11 0.00 0.00 32.58 31.72 2ysm s HIS 33 CO -0.03 -2.22 2.15 0.78 -0.85 0.00 0.00 174.74 174.57 2ysm h GLY 34 N 3.17 0.00 0.00 -2.22 0.00 -1.89 -2.70 103.07 99.43 2ysm h GLY 34 Ca -0.50 0.00 -0.25 0.00 0.00 0.00 0.00 47.33 46.58 2ysm h GLY 34 CO 0.65 0.00 -1.51 1.03 0.00 0.00 0.00 176.54 176.71 2ysm n MET 35 N -2.93 0.56 -0.15 4.80 2.81 -1.26 -1.26 117.12 119.69 2ysm n MET 35 Ca -0.02 0.46 0.28 0.00 -1.81 0.00 0.00 57.70 56.62 2ysm n MET 35 Cb 0.13 -1.65 0.71 0.00 -0.71 0.00 0.00 33.22 31.70 2ysm n MET 35 CO 0.00 0.00 0.00 0.00 1.51 0.00 0.00 175.97 177.48 2ysm n LEU 37 N -3.97 0.10 -1.63 0.00 4.77 -1.03 -5.00 117.00 110.25 2ysm n LEU 37 Ca 0.18 0.04 -0.08 0.00 -0.03 0.00 0.00 56.01 56.12 2ysm n LEU 37 Cb 1.01 0.11 0.03 0.00 -2.33 0.00 0.00 43.42 42.24 2ysm n LEU 37 CO 0.34 0.11 0.09 0.47 -1.33 0.00 0.00 177.39 177.07 2ysm n ASP 38 N -2.43 -3.50 -4.76 -1.43 8.00 0.15 -5.04 116.55 107.53 2ysm n ASP 38 Ca -0.11 -0.20 -0.34 0.00 0.71 0.00 0.00 54.79 54.86 2ysm n ASP 38 Cb 0.71 -2.13 -0.08 0.00 -0.02 0.00 0.00 41.12 39.61 2ysm n ASP 38 CO 0.00 0.00 0.00 -0.63 -0.39 0.00 0.00 177.20 176.18 2ysm s ILE 39 N -3.12 4.68 -0.57 0.53 1.01 -0.39 -5.02 121.20 118.33 2ysm s ILE 39 Ca 0.20 -0.29 -0.28 0.00 0.00 0.00 0.00 60.65 60.28 2ysm s ILE 39 Cb -0.09 -3.07 0.03 0.00 0.01 0.00 0.00 42.46 39.34 2ysm s ILE 39 CO 0.26 0.47 1.21 0.00 0.00 0.00 0.00 174.94 176.88 2ysm s ALA 40 N -1.07 2.99 -0.47 9.38 0.00 -1.26 -4.72 121.76 126.61 2ysm s ALA 40 Ca 0.19 -0.77 -0.27 0.00 0.00 0.00 0.00 51.96 51.11 2ysm s ALA 40 Cb -0.12 -4.03 -0.08 0.00 0.00 0.00 0.00 23.12 18.90 2ysm s ALA 40 CO 0.09 -2.65 2.40 0.28 0.00 0.00 0.00 175.76 175.88 2ysm n VAL 41 N 6.72 -0.01 -4.34 0.00 0.31 -1.26 -4.93 118.33 114.82 2ysm n VAL 41 Ca 0.09 -0.70 -0.27 0.00 -0.01 0.00 0.00 64.34 63.46 2ysm n VAL 41 Cb 0.49 -2.62 -0.10 0.00 -0.91 0.00 0.00 33.84 30.69 2ysm n VAL 41 CO 0.00 0.00 0.00 0.42 -1.32 0.00 0.00 176.83 175.93 2ysm s THR 42 N 11.35 2.85 -2.00 2.52 -4.23 -1.26 -5.00 115.64 119.86 2ysm s THR 42 Ca 1.01 -1.76 0.11 0.00 -1.18 0.00 0.00 61.69 59.87 2ysm s THR 42 Cb -0.27 -2.38 0.31 0.00 1.34 0.00 0.00 72.50 71.49 2ysm s THR 42 CO 0.29 -0.08 1.08 -0.81 -0.54 0.00 0.00 174.62 174.57 2ysm n PRO 43 N 0.24 0.49 -0.09 3.99 -0.04 -1.26 -2.54 135.00 135.80 2ysm n PRO 43 Ca -0.12 0.00 -0.17 0.00 -0.04 0.00 0.00 63.50 63.17 2ysm n PRO 43 Cb 0.55 -1.35 -0.13 0.00 -0.04 0.00 0.00 33.50 32.53 2ysm n PRO 43 CO 0.00 0.00 0.00 -0.11 -0.04 0.00 0.00 175.50 175.35 2ysm n LEU 44 N -0.85 2.25 -0.04 1.53 -0.00 -1.26 -4.44 117.00 114.19 2ysm n LEU 44 Ca 0.08 -0.01 -0.12 0.00 -0.00 0.00 0.00 56.01 55.96 2ysm n LEU 44 Cb 0.04 -0.64 -0.11 0.00 -0.00 0.00 0.00 43.42 42.71 2ysm n LEU 44 CO 0.06 0.81 0.42 0.11 -0.00 0.00 0.00 177.39 178.79 2ysm h LYS 45 N 0.01 -0.03 -0.92 1.96 1.57 -1.68 -3.29 116.57 114.20 2ysm h LYS 45 Ca -0.52 0.00 0.36 0.00 -1.87 0.00 0.00 60.65 58.62 2ysm h LYS 45 Cb 2.00 0.01 -0.14 0.00 0.08 0.00 0.00 32.23 34.17 2ysm h LYS 45 CO -0.02 0.72 0.53 0.54 -0.57 0.00 0.00 179.45 180.64 2ysm n ARG 46 N -4.71 -0.04 -3.20 3.15 1.74 -1.13 -1.62 116.66 110.84 2ysm n ARG 46 Ca -0.09 1.12 -0.46 0.00 -0.77 0.00 0.00 57.85 57.66 2ysm n ARG 46 Cb 0.37 -2.06 -0.02 0.00 -1.02 0.00 0.00 32.46 29.73 2ysm n ARG 46 CO 0.00 0.00 0.00 0.00 -1.52 0.00 0.00 177.63 176.11 2ysm s ALA 47 N -5.19 3.96 0.00 7.54 0.00 -1.24 -4.33 121.76 122.50 2ysm s ALA 47 Ca -0.07 -3.24 0.00 0.00 0.00 0.00 0.00 51.96 48.65 2ysm s ALA 47 Cb 0.28 -3.71 0.00 0.00 0.00 0.00 0.00 23.12 19.69 2ysm s ALA 47 CO 0.66 -2.49 0.00 0.41 0.00 0.00 0.00 175.76 174.34 2ysm n GLY 48 N 4.24 0.62 3.85 0.00 0.00 -1.07 -4.96 105.19 107.86 2ysm n GLY 48 Ca 0.19 -0.11 -0.32 0.00 0.00 0.00 0.00 46.02 45.78 2ysm n GLY 48 CO 0.00 0.00 0.00 0.86 0.00 0.00 0.00 173.32 174.18 2ysm s TRP 49 N -1.61 3.39 -0.05 1.61 -0.00 -0.64 -4.94 118.94 116.70 2ysm s TRP 49 Ca 0.00 1.21 0.01 0.00 -0.00 0.00 0.00 56.10 57.32 2ysm s TRP 49 Cb 0.00 -2.54 0.02 0.00 -0.00 0.00 0.00 33.47 30.95 2ysm s TRP 49 CO 0.00 0.04 -0.06 -0.65 -0.00 0.00 0.00 176.95 176.28 2ysm s GLN 50 N -3.16 1.01 0.73 5.86 -0.21 -1.26 -4.16 119.66 118.47 2ysm s GLN 50 Ca 0.54 -0.15 -0.13 0.00 0.02 0.00 0.00 55.36 55.63 2ysm s GLN 50 Cb -0.10 -0.99 0.04 0.00 1.00 0.00 0.00 33.01 32.96 2ysm s GLN 50 CO 0.20 -0.09 1.13 0.00 -2.12 0.00 0.00 175.29 174.41 2ysm n PRO 52 N -2.97 0.12 0.00 0.00 -0.04 -1.26 0.19 135.00 131.03 2ysm n PRO 52 Ca 0.11 0.36 0.13 0.00 -0.04 0.00 0.00 63.50 64.05 2ysm n PRO 52 Cb 0.52 -1.73 0.33 0.00 -0.04 0.00 0.00 33.50 32.58 2ysm n PRO 52 CO 0.00 0.00 0.00 0.39 -0.04 0.00 0.00 175.50 175.85 2ysm n GLU 53 N -1.95 0.43 0.03 0.54 1.02 -1.26 -4.51 120.64 114.93 2ysm n GLU 53 Ca 0.03 -0.24 0.00 0.00 -0.02 0.00 0.00 57.16 56.92 2ysm n GLU 53 Cb 0.20 -1.49 0.00 0.00 -0.02 0.00 0.00 31.44 30.13 2ysm n GLU 53 CO 0.00 0.00 0.00 0.00 1.18 0.00 0.00 177.13 178.31 2ysm n LYS 55 N -3.09 0.00 -4.11 0.00 2.85 0.13 -4.97 118.16 108.97 2ysm n LYS 55 Ca 0.00 0.00 -0.14 0.00 -1.05 0.00 0.00 58.31 57.12 2ysm n LYS 55 Cb 0.22 -0.50 -0.05 0.00 -0.65 0.00 0.00 35.03 34.05 2ysm n LYS 55 CO 0.00 0.00 0.00 0.14 -0.05 0.00 0.00 177.40 177.49 2ysm s VAL 56 N -0.69 0.00 0.71 0.58 -7.23 -1.26 -4.95 120.40 107.57 2ysm s VAL 56 Ca 0.31 -1.67 -0.15 0.00 -1.81 0.00 0.00 61.98 58.66 2ysm s VAL 56 Cb -0.38 -2.54 0.03 0.00 0.56 0.00 0.00 36.38 34.05 2ysm s VAL 56 CO 0.30 0.00 1.19 0.00 -0.31 0.00 0.00 175.10 176.28 2ysm n GLN 58 N -2.61 0.47 -0.05 0.00 1.13 -1.15 -3.01 117.38 112.16 2ysm n GLN 58 Ca 0.13 -0.13 -0.19 0.00 -1.94 0.00 0.00 57.00 54.87 2ysm n GLN 58 Cb 0.50 -1.34 -0.13 0.00 0.11 0.00 0.00 30.24 29.39 2ysm n GLN 58 CO 0.00 0.00 0.00 -0.91 -1.44 0.00 0.00 177.06 174.71 2ysm h ASN 59 N 0.00 0.13 0.00 1.08 2.35 -1.89 -3.41 115.58 113.84 2ysm h ASN 59 Ca 0.00 -0.82 -0.28 0.00 -0.55 0.00 0.00 56.30 54.65 2ysm h ASN 59 Cb 0.65 -0.04 -0.05 0.00 0.05 0.00 0.00 38.32 38.93 2ysm h ASN 59 CO 0.00 1.32 -2.07 0.00 -1.65 0.00 0.00 177.43 175.03 2ysm n LYS 61 N -2.62 -5.12 -3.78 0.00 4.76 -1.16 -5.02 118.16 105.21 2ysm n LYS 61 Ca -0.26 0.62 -0.28 0.00 -2.87 0.00 0.00 58.31 55.51 2ysm n LYS 61 Cb 0.99 -4.98 -0.16 0.00 -1.84 0.00 0.00 35.03 29.04 2ysm n LYS 61 CO 0.00 0.00 0.00 -0.65 -1.37 0.00 0.00 177.40 175.38 2ysm s GLN 62 N -5.24 0.86 -0.22 1.97 -0.21 -1.26 -4.87 119.66 110.69 2ysm s GLN 62 Ca 0.11 -0.61 -0.29 0.00 0.02 0.00 0.00 55.36 54.59 2ysm s GLN 62 Cb -0.05 -2.20 -0.00 0.00 1.00 0.00 0.00 33.01 31.76 2ysm s GLN 62 CO 0.54 -0.67 1.21 -1.54 -2.12 0.00 0.00 175.29 172.71 2ysm s SER 63 N 1.74 6.92 0.11 5.90 1.04 -1.26 -4.56 113.70 123.59 2ysm s SER 63 Ca -0.01 1.49 0.00 0.00 0.48 0.00 0.00 55.95 57.91 2ysm s SER 63 Cb -0.17 -2.54 0.00 0.00 0.10 0.00 0.00 66.02 63.41 2ysm s SER 63 CO -0.09 -0.82 0.00 0.61 0.98 0.00 0.00 173.24 173.92 2ysm n GLY 64 N 3.72 -1.68 3.54 7.32 0.00 -1.26 -5.08 105.19 111.75 2ysm n GLY 64 Ca 0.14 0.57 -0.41 0.00 0.00 0.00 0.00 46.02 46.31 2ysm n GLY 64 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 2ysm s GLU 65 N -1.75 3.25 -0.14 1.61 8.01 -1.26 -4.85 118.70 123.58 2ysm s GLU 65 Ca 0.00 -0.48 -0.21 0.00 0.01 0.00 0.00 54.97 54.29 2ysm s GLU 65 Cb 0.00 -4.39 -0.19 0.00 -4.31 0.00 0.00 34.13 25.24 2ysm s GLU 65 CO 0.00 -2.11 0.53 0.38 0.01 0.00 0.00 175.26 174.07 2ysm h ASP 66 N 9.91 0.00 -0.58 -0.19 2.03 -1.97 -3.33 116.42 122.29 2ysm h ASP 66 Ca -0.20 -0.71 0.09 0.00 -0.73 0.00 0.00 57.03 55.49 2ysm h ASP 66 Cb 1.05 0.00 -0.07 0.00 -0.83 0.00 0.00 39.33 39.47 2ysm h ASP 66 CO 1.29 0.91 0.19 0.77 -1.03 0.00 0.00 179.24 181.37 2ysm h SER 67 N -1.00 0.16 -0.63 4.15 4.64 -2.04 -1.61 113.55 117.21 2ysm h SER 67 Ca -0.02 0.08 -0.36 0.00 -0.47 0.00 0.00 61.79 61.02 2ysm h SER 67 Cb 0.78 0.08 -0.13 0.00 -0.31 0.00 0.00 62.40 62.81 2ysm h SER 67 CO -0.01 0.10 0.24 0.29 -0.87 0.00 0.00 176.83 176.58 2ysm n LYS 68 N -5.03 2.05 -3.70 4.77 5.02 -1.26 -4.74 118.16 115.27 2ysm n LYS 68 Ca 0.08 -1.72 -0.30 0.00 -2.02 0.00 0.00 58.31 54.35 2ysm n LYS 68 Cb 0.27 -1.88 -0.15 0.00 -0.02 0.00 0.00 35.03 33.25 2ysm n LYS 68 CO 0.00 0.00 0.00 1.41 -0.52 0.00 0.00 177.40 178.29 2ysm s MET 69 N -1.17 0.64 -0.65 1.97 1.75 -0.61 -2.98 119.30 118.24 2ysm s MET 69 Ca 0.48 -1.00 -0.26 0.00 -1.25 0.00 0.00 55.69 53.65 2ysm s MET 69 Cb 0.30 -1.86 -0.03 0.00 2.84 0.00 0.00 34.83 36.08 2ysm s MET 69 CO -0.10 -1.00 1.95 -0.51 -0.65 0.00 0.00 175.02 174.71 2ysm s LEU 70 N 1.67 3.27 -0.62 4.11 1.43 0.20 -4.76 118.68 123.99 2ysm s LEU 70 Ca 0.10 0.25 -0.28 0.00 -1.03 0.00 0.00 54.13 53.17 2ysm s LEU 70 Cb -0.17 -2.53 0.02 0.00 0.03 0.00 0.00 46.19 43.54 2ysm s LEU 70 CO -0.27 -2.54 1.38 -0.69 0.23 0.00 0.00 176.35 174.46 2ysm s VAL 71 N 9.77 3.77 0.93 -1.59 1.01 -1.26 -2.79 120.40 130.23 2ysm s VAL 71 Ca 0.72 0.60 -0.14 0.00 0.00 0.00 0.00 61.98 63.15 2ysm s VAL 71 Cb -0.12 -4.58 -0.03 0.00 0.00 0.00 0.00 36.38 31.64 2ysm s VAL 71 CO 0.17 -1.37 0.04 0.00 0.00 0.00 0.00 175.10 173.94 2ysm n ASP 73 N 0.35 1.98 0.01 0.00 -0.08 -1.26 -3.38 116.55 114.17 2ysm n ASP 73 Ca 0.04 -0.07 -0.00 0.00 -1.51 0.00 0.00 54.79 53.25 2ysm n ASP 73 Cb 0.54 -0.47 -0.00 0.00 2.34 0.00 0.00 41.12 43.52 2ysm n ASP 73 CO 0.00 0.00 0.00 0.74 0.12 0.00 0.00 177.20 178.06 2ysm h THR 74 N -0.13 0.00 0.05 5.18 2.02 -1.93 -3.37 112.91 114.73 2ysm h THR 74 Ca -0.59 -0.01 -0.25 0.00 0.77 0.00 0.00 66.41 66.32 2ysm h THR 74 Cb 1.86 0.00 0.01 0.00 -1.74 0.00 0.00 68.15 68.28 2ysm h THR 74 CO -0.13 0.00 -1.07 0.00 0.37 0.00 0.00 175.52 174.69 2ysm n ASP 76 N -3.73 -4.13 0.00 0.00 2.03 -1.22 -4.70 116.55 104.81 2ysm n ASP 76 Ca -0.09 -0.65 0.00 0.00 0.52 0.00 0.00 54.79 54.57 2ysm n ASP 76 Cb 0.90 -5.11 0.00 0.00 -0.72 0.00 0.00 41.12 36.20 2ysm n ASP 76 CO 0.00 0.00 0.00 0.29 -1.92 0.00 0.00 177.20 175.57 2ysm n LYS 77 N -3.68 0.00 0.00 -0.67 5.02 -1.26 -4.65 118.16 112.91 2ysm n LYS 77 Ca -0.19 0.06 0.00 0.00 -2.02 0.00 0.00 58.31 56.16 2ysm n LYS 77 Cb 0.65 -0.50 0.00 0.00 -0.02 0.00 0.00 35.03 35.15 2ysm n LYS 77 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 2ysm n GLY 78 N 1.69 3.58 3.06 0.72 0.00 -1.26 -4.31 105.19 108.68 2ysm n GLY 78 Ca 0.00 -0.46 -0.12 0.00 0.00 0.00 0.00 46.02 45.43 2ysm n GLY 78 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 2ysm s TYR 79 N 0.00 -0.35 0.22 1.61 1.51 -1.12 -2.92 117.35 116.30 2ysm s TYR 79 Ca 0.00 0.83 -0.30 0.00 -1.01 0.00 0.00 57.07 56.59 2ysm s TYR 79 Cb 0.00 0.05 -0.08 0.00 -0.11 0.00 0.00 41.96 41.81 2ysm s TYR 79 CO 0.00 -0.25 1.12 -1.01 -1.11 0.00 0.00 175.55 174.30 2ysm s HIS 80 N 1.38 3.56 0.28 2.71 3.76 -1.26 0.63 115.29 126.34 2ysm s HIS 80 Ca -0.08 1.61 0.01 0.00 -0.15 0.00 0.00 55.06 56.44 2ysm s HIS 80 Cb -0.10 -3.30 0.55 0.00 1.11 0.00 0.00 32.58 30.84 2ysm s HIS 80 CO -0.09 -0.68 1.81 1.79 -0.85 0.00 0.00 174.74 176.73 2ysm h THR 81 N 3.49 0.86 -0.00 1.30 1.35 -1.87 0.49 112.91 118.54 2ysm h THR 81 Ca -0.45 -0.30 0.00 0.00 -0.55 0.00 0.00 66.41 65.11 2ysm h THR 81 Cb 1.21 -0.10 0.00 0.00 -1.73 0.00 0.00 68.15 67.53 2ysm h THR 81 CO 0.71 0.16 0.00 2.22 -0.25 0.00 0.00 175.52 178.36 2ysm n PHE 82 N -4.69 0.00 0.48 4.73 1.16 -1.26 -1.77 117.46 116.11 2ysm n PHE 82 Ca 0.18 -0.00 0.06 0.00 -1.87 0.00 0.00 57.45 55.82 2ysm n PHE 82 Cb 0.38 0.00 0.03 0.00 -1.61 0.00 0.00 39.48 38.29 2ysm n PHE 82 CO 0.00 0.00 0.00 0.00 -1.87 0.00 0.00 176.76 174.89 2ysm s LEU 84 N -1.17 4.03 -0.29 0.00 1.43 -1.09 -4.87 118.68 116.72 2ysm s LEU 84 Ca 0.12 0.72 0.01 0.00 -1.03 0.00 0.00 54.13 53.96 2ysm s LEU 84 Cb 0.09 -3.55 0.08 0.00 0.03 0.00 0.00 46.19 42.85 2ysm s LEU 84 CO 0.18 -0.22 0.03 -1.58 0.23 0.00 0.00 176.35 174.99 2ysm s GLN 85 N -3.63 1.24 0.97 1.70 2.00 -1.26 -1.25 119.66 119.43 2ysm s GLN 85 Ca 0.44 -1.25 -0.16 0.00 -2.00 0.00 0.00 55.36 52.39 2ysm s GLN 85 Cb -0.11 -2.55 0.24 0.00 0.80 0.00 0.00 33.01 31.40 2ysm s GLN 85 CO 0.31 -0.83 0.86 -0.35 -0.50 0.00 0.00 175.29 174.78 2ysm n PRO 86 N 4.62 -2.69 -3.74 1.67 -0.04 -1.26 -5.14 135.00 128.42 2ysm n PRO 86 Ca -0.04 -1.37 -0.35 0.00 -0.04 0.00 0.00 63.50 61.70 2ysm n PRO 86 Cb 0.43 -1.28 -0.05 0.00 -0.04 0.00 0.00 33.50 32.55 2ysm n PRO 86 CO 0.00 0.00 0.00 0.54 -0.04 0.00 0.00 175.50 176.00 2ysm s VAL 87 N -2.55 5.28 -0.99 0.52 0.11 -0.38 -4.96 120.40 117.43 2ysm s VAL 87 Ca 0.56 0.22 -0.23 0.00 -2.93 0.00 0.00 61.98 59.60 2ysm s VAL 87 Cb -0.05 -3.57 0.05 0.00 -1.53 0.00 0.00 36.38 31.28 2ysm s VAL 87 CO 0.43 0.38 1.42 -0.04 -3.33 0.00 0.00 175.10 173.96 2ysm s MET 88 N -1.71 3.56 0.37 1.54 -1.94 -0.73 -4.85 119.30 115.54 2ysm s MET 88 Ca 0.27 -1.08 0.22 0.00 -1.71 0.00 0.00 55.69 53.39 2ysm s MET 88 Cb -0.13 -5.24 1.31 0.00 2.01 0.00 0.00 34.83 32.77 2ysm s MET 88 CO 0.16 -2.18 1.50 1.63 -0.01 0.00 0.00 175.02 176.11 2ysm n LYS 89 N 8.81 -0.05 -4.40 2.03 5.02 -1.26 -4.53 118.16 123.77 2ysm n LYS 89 Ca 0.30 1.28 -0.21 0.00 -2.02 0.00 0.00 58.31 57.67 2ysm n LYS 89 Cb 0.51 -2.35 -0.09 0.00 -0.02 0.00 0.00 35.03 33.07 2ysm n LYS 89 CO 0.00 0.00 0.00 -1.12 -0.52 0.00 0.00 177.40 175.76 2ysm s SER 90 N -4.49 2.01 -0.20 4.39 0.01 -1.26 -5.08 113.70 109.09 2ysm s SER 90 Ca -0.08 -1.55 -0.07 0.00 1.31 0.00 0.00 55.95 55.56 2ysm s SER 90 Cb 0.32 0.32 -0.04 0.00 0.21 0.00 0.00 66.02 66.83 2ysm s SER 90 CO 0.75 -0.84 0.06 -0.69 0.41 0.00 0.00 173.24 172.93 2ysm s VAL 91 N -3.45 4.69 0.58 3.43 1.01 -1.26 -5.07 120.40 120.33 2ysm s VAL 91 Ca 0.33 -0.06 -0.10 0.00 0.00 0.00 0.00 61.98 62.14 2ysm s VAL 91 Cb 0.05 -3.13 0.14 0.00 0.00 0.00 0.00 36.38 33.45 2ysm s VAL 91 CO 0.16 0.43 0.51 -0.81 0.00 0.00 0.00 175.10 175.40 2ysm n PRO 92 N 3.84 -2.03 -0.10 2.72 -0.04 -1.26 -5.04 135.00 133.10 2ysm n PRO 92 Ca -0.16 -0.82 -0.18 0.00 -0.04 0.00 0.00 63.50 62.29 2ysm n PRO 92 Cb 0.52 -0.77 -0.08 0.00 -0.04 0.00 0.00 33.50 33.13 2ysm n PRO 92 CO 0.00 0.00 0.00 2.41 -0.04 0.00 0.00 175.50 177.87 2ysm n THR 93 N -3.62 1.50 -3.60 0.52 -1.04 -1.26 -5.06 114.28 101.72 2ysm n THR 93 Ca 0.07 -0.03 -0.10 0.00 -2.04 0.00 0.00 64.05 61.96 2ysm n THR 93 Cb 0.28 -2.13 -0.06 0.00 -1.82 0.00 0.00 70.33 66.60 2ysm n THR 93 CO 0.00 0.00 0.00 0.54 -0.64 0.00 0.00 175.07 174.97 2ysm s ASN 94 N -6.61 -0.38 0.00 8.00 2.20 -1.26 -5.05 114.94 111.85 2ysm s ASN 94 Ca -0.28 0.54 0.00 0.00 -0.94 0.00 0.00 52.86 52.19 2ysm s ASN 94 Cb 0.07 0.49 0.00 0.00 -2.00 0.00 0.00 41.25 39.81 2ysm s ASN 94 CO 0.46 -0.26 0.00 0.61 -2.94 0.00 0.00 177.10 174.97 2ysm n GLY 95 N 1.27 0.64 3.62 0.45 0.00 -1.26 -5.13 105.19 104.78 2ysm n GLY 95 Ca -0.11 -0.19 -0.29 0.00 0.00 0.00 0.00 46.02 45.43 2ysm n GLY 95 CO 0.00 0.00 0.00 0.86 0.00 0.00 0.00 173.32 174.18 2ysm s TRP 96 N -1.02 2.81 -0.08 1.61 -0.00 -1.26 -5.13 118.94 115.88 2ysm s TRP 96 Ca 0.00 -0.13 -0.03 0.00 -0.00 0.00 0.00 56.10 55.94 2ysm s TRP 96 Cb 0.00 -1.43 0.04 0.00 -0.00 0.00 0.00 33.47 32.08 2ysm s TRP 96 CO 0.00 0.47 0.16 0.21 -0.00 0.00 0.00 176.95 177.78 2ysm s LYS 97 N -2.46 0.07 0.64 5.86 2.20 -1.26 -4.23 119.74 120.56 2ysm s LYS 97 Ca 0.24 0.47 -0.15 0.00 -0.36 0.00 0.00 55.97 56.17 2ysm s LYS 97 Cb -0.11 -0.22 -0.01 0.00 -1.51 0.00 0.00 37.83 35.98 2ysm s LYS 97 CO 0.16 -0.23 1.08 0.00 -0.36 0.00 0.00 175.35 176.00 2ysm h LYS 99 N 0.06 -0.48 -0.25 0.00 3.11 -2.01 0.47 116.57 117.47 2ysm h LYS 99 Ca -0.46 0.03 0.07 0.00 -2.81 0.00 0.00 60.65 57.48 2ysm h LYS 99 Cb 1.23 0.11 -0.01 0.00 -1.00 0.00 0.00 32.23 32.56 2ysm h LYS 99 CO 0.56 -0.32 0.77 -0.91 -2.81 0.00 0.00 179.45 176.73 2ysm h ASN 100 N -0.50 0.00 0.03 4.20 4.21 -1.99 0.29 115.58 121.82 2ysm h ASN 100 Ca 0.07 0.00 -0.38 0.00 1.21 0.00 0.00 56.30 57.20 2ysm h ASN 100 Cb 0.64 0.00 -0.05 0.00 -1.12 0.00 0.00 38.32 37.79 2ysm h ASN 100 CO -0.44 0.00 -2.18 0.00 -1.29 0.00 0.00 177.43 173.52 2ysm h ARG 102 N -0.37 0.00 -6.09 0.00 0.11 0.32 -3.43 114.38 104.92 2ysm h ARG 102 Ca -0.53 0.00 -0.69 0.00 0.10 0.00 0.00 59.98 58.86 2ysm h ARG 102 Cb 1.78 0.00 0.09 0.00 1.11 0.00 0.00 29.97 32.95 2ysm h ARG 102 CO -0.14 0.00 -0.22 -0.89 0.10 0.00 0.00 179.97 178.82 2ysm n ILE 103 N -3.08 1.34 0.00 0.08 2.08 -0.76 -4.88 119.36 114.13 2ysm n ILE 103 Ca -0.00 -0.34 0.00 0.00 0.56 0.00 0.00 62.75 62.97 2ysm n ILE 103 Cb 0.41 -0.20 0.00 0.00 -0.75 0.00 0.00 39.64 39.10 2ysm n ILE 103 CO 0.00 0.00 0.00 0.00 0.56 0.00 0.00 176.55 177.11 2ysm s ILE 105 N -1.94 5.39 -0.35 0.00 2.07 -1.26 -4.81 121.20 120.30 2ysm s ILE 105 Ca 0.00 -3.46 0.15 0.00 -1.41 0.00 0.00 60.65 55.93 2ysm s ILE 105 Cb 0.00 -4.28 0.45 0.00 0.13 0.00 0.00 42.46 38.77 2ysm s ILE 105 CO 0.00 -1.13 1.01 -0.24 -1.91 0.00 0.00 174.94 172.67 2ysm n SER 106 N 2.73 2.37 -4.83 4.50 2.88 -1.26 -5.09 113.62 114.92 2ysm n SER 106 Ca 0.22 -2.95 -0.34 0.00 -1.33 0.00 0.00 58.87 54.46 2ysm n SER 106 Cb 0.39 -0.50 -0.06 0.00 -0.75 0.00 0.00 64.21 63.28 2ysm n SER 106 CO 0.00 0.00 0.00 -0.83 -1.23 0.00 0.00 175.04 172.98 2ysm s GLY 107 N -3.28 2.08 0.00 0.46 0.00 -1.26 -4.97 107.32 100.34 2ysm s GLY 107 Ca 0.33 -0.77 0.06 0.00 0.00 0.00 0.00 44.72 44.33 2ysm s GLY 107 CO -0.02 -0.60 0.80 -1.55 0.00 0.00 0.00 173.10 171.72 2ysm n PRO 108 N 1.43 0.49 -0.58 2.90 -0.04 -1.26 -4.89 135.00 133.05 2ysm n PRO 108 Ca -0.15 0.00 -0.24 0.00 -0.04 0.00 0.00 63.50 63.07 2ysm n PRO 108 Cb 0.53 -1.18 -0.04 0.00 -0.04 0.00 0.00 33.50 32.77 2ysm n PRO 108 CO 0.00 0.00 0.00 -1.13 -0.04 0.00 0.00 175.50 174.33 2ysm n SER 109 N -0.68 0.39 -4.81 3.54 3.41 -1.26 -4.90 113.62 109.30 2ysm n SER 109 Ca 0.04 0.38 -0.28 0.00 -0.26 0.00 0.00 58.87 58.75 2ysm n SER 109 Cb 0.02 -0.32 -0.05 0.00 -0.26 0.00 0.00 64.21 63.60 2ysm n SER 109 CO 0.00 0.00 0.00 -0.55 -0.16 0.00 0.00 175.04 174.33 2ysm s SER 110 N 1.36 4.39 0.00 4.04 0.15 -1.26 -5.24 113.70 117.14 2ysm s SER 110 Ca 0.39 -1.37 0.25 0.00 0.70 0.00 0.00 55.95 55.92 2ysm s SER 110 Cb -0.54 0.27 0.32 0.00 -1.71 0.00 0.00 66.02 64.36 2ysm s SER 110 CO 0.28 -0.89 1.33 0.61 1.20 0.00 0.00 173.24 175.77