#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2ysm s SER 2 N 0.00 -0.67 -0.29 1.61 0.01 -1.26 -5.13 113.70 107.97 2ysm s SER 2 Ca 0.00 1.18 -0.29 0.00 1.31 0.00 0.00 55.95 58.15 2ysm s SER 2 Cb 0.00 1.11 -0.00 0.00 0.21 0.00 0.00 66.02 67.34 2ysm s SER 2 CO 0.00 -0.21 1.33 -0.44 0.41 0.00 0.00 173.24 174.33 2ysm s SER 3 N 1.01 6.66 0.00 2.44 0.01 -1.26 -4.71 113.70 117.85 2ysm s SER 3 Ca -0.06 1.26 0.00 0.00 1.31 0.00 0.00 55.95 58.47 2ysm s SER 3 Cb -0.06 -2.54 0.00 0.00 0.21 0.00 0.00 66.02 63.64 2ysm s SER 3 CO -0.09 -1.08 0.00 0.61 0.41 0.00 0.00 173.24 173.09 2ysm n GLY 4 N 4.31 -1.46 3.61 3.44 0.00 -1.26 -5.13 105.19 108.70 2ysm n GLY 4 Ca 0.15 -1.16 -0.09 0.00 0.00 0.00 0.00 46.02 44.93 2ysm n GLY 4 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 2ysm s SER 5 N -0.77 -0.20 0.06 1.61 1.04 -1.26 -5.18 113.70 109.01 2ysm s SER 5 Ca 0.00 -0.66 0.07 0.00 0.48 0.00 0.00 55.95 55.83 2ysm s SER 5 Cb 0.00 0.61 -0.03 0.00 0.10 0.00 0.00 66.02 66.70 2ysm s SER 5 CO 0.00 -1.14 -0.18 -0.55 0.98 0.00 0.00 173.24 172.35 2ysm s SER 6 N -2.93 2.17 -0.28 7.02 0.15 -1.26 -5.14 113.70 113.43 2ysm s SER 6 Ca 0.14 -0.57 -0.28 0.00 0.70 0.00 0.00 55.95 55.95 2ysm s SER 6 Cb -0.02 -0.14 0.18 0.00 -1.71 0.00 0.00 66.02 64.33 2ysm s SER 6 CO 0.03 0.06 1.33 -0.83 1.20 0.00 0.00 173.24 175.03 2ysm s GLY 7 N -1.47 0.13 -1.20 9.45 0.00 -1.26 -4.98 107.32 108.00 2ysm s GLY 7 Ca 0.04 2.97 0.00 0.00 0.00 0.00 0.00 44.72 47.73 2ysm s GLY 7 CO 0.02 1.42 0.00 0.00 0.00 0.00 0.00 173.10 174.55 2ysm n ALA 8 N 1.00 -0.34 -2.01 3.20 0.00 -1.26 -5.01 120.51 116.09 2ysm n ALA 8 Ca -0.05 0.13 -0.21 0.00 0.00 0.00 0.00 53.44 53.31 2ysm n ALA 8 Cb 0.58 -1.55 0.07 0.00 0.00 0.00 0.00 19.45 18.55 2ysm n ALA 8 CO 0.00 0.00 0.00 -0.80 0.00 0.00 0.00 177.50 176.70 2ysm s ASN 9 N -2.52 4.94 0.40 0.00 -0.87 -1.26 -4.79 114.94 110.84 2ysm s ASN 9 Ca 0.00 -0.48 -0.27 0.00 -1.57 0.00 0.00 52.86 50.54 2ysm s ASN 9 Cb 0.00 -0.14 -0.10 0.00 -0.02 0.00 0.00 41.25 40.99 2ysm s ASN 9 CO 0.00 -1.41 1.43 0.00 -2.57 0.00 0.00 177.10 174.54 2ysm n ALA 11 N 0.17 2.46 0.00 0.00 0.00 -0.92 -1.57 120.51 120.64 2ysm n ALA 11 Ca 0.03 -0.80 0.00 0.00 0.00 0.00 0.00 53.44 52.67 2ysm n ALA 11 Cb 0.39 -0.97 0.00 0.00 0.00 0.00 0.00 19.45 18.87 2ysm n ALA 11 CO 0.00 0.00 0.00 1.33 0.00 0.00 0.00 177.50 178.83 2ysm n VAL 12 N 0.96 0.00 0.03 0.00 0.24 -1.26 -4.81 118.33 113.49 2ysm n VAL 12 Ca 0.18 0.00 0.02 0.00 -2.04 0.00 0.00 64.34 62.49 2ysm n VAL 12 Cb 0.47 -0.78 -0.02 0.00 -1.47 0.00 0.00 33.84 32.03 2ysm n VAL 12 CO 0.00 0.00 0.00 0.00 -2.14 0.00 0.00 176.83 174.69 2ysm n ASP 14 N -1.51 -4.46 -4.11 0.00 -0.08 -0.61 -4.96 116.55 100.82 2ysm n ASP 14 Ca -0.00 -0.55 -0.20 0.00 -1.51 0.00 0.00 54.79 52.53 2ysm n ASP 14 Cb 0.08 -4.86 -0.14 0.00 2.34 0.00 0.00 41.12 38.54 2ysm n ASP 14 CO 0.00 0.00 0.00 -0.55 0.12 0.00 0.00 177.20 176.77 2ysm s SER 15 N -3.72 1.49 -0.00 1.67 0.15 -1.26 -4.77 113.70 107.26 2ysm s SER 15 Ca 0.33 -0.38 -0.24 0.00 0.70 0.00 0.00 55.95 56.35 2ysm s SER 15 Cb -0.14 -0.11 -0.19 0.00 -1.71 0.00 0.00 66.02 63.87 2ysm s SER 15 CO 0.70 0.05 1.29 1.55 1.20 0.00 0.00 173.24 178.03 2ysm h PRO 16 N 5.21 0.11 0.00 5.44 0.13 -1.95 -2.99 132.00 137.95 2ysm h PRO 16 Ca -0.36 -0.06 0.00 0.00 -0.87 0.00 0.00 66.00 64.71 2ysm h PRO 16 Cb 1.18 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.31 2ysm h PRO 16 CO 0.45 0.56 0.00 0.41 -0.23 0.00 0.00 178.00 179.20 2ysm n GLY 17 N 0.22 1.51 3.39 1.56 0.00 -1.26 -3.72 105.19 106.89 2ysm n GLY 17 Ca -0.08 0.26 -0.38 0.00 0.00 0.00 0.00 46.02 45.81 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 -2.92 5.45 0.04 1.61 1.01 -1.26 -4.97 116.67 115.63 2ysm s ASP 18 Ca 0.00 -0.68 -0.17 0.00 0.71 0.00 0.00 52.55 52.41 2ysm s ASP 18 Cb 0.00 -1.97 -0.21 0.00 1.01 0.00 0.00 42.92 41.76 2ysm s ASP 18 CO 0.00 -0.23 1.18 -0.07 0.21 0.00 0.00 175.17 176.26 2ysm h LEU 19 N 8.33 0.68 -1.20 1.23 4.07 -1.90 -2.60 115.31 123.93 2ysm h LEU 19 Ca -0.30 -0.70 -0.07 0.00 0.08 0.00 0.00 57.88 56.88 2ysm h LEU 19 Cb 1.13 -0.20 -0.01 0.00 1.08 0.00 0.00 40.66 42.65 2ysm h LEU 19 CO 0.62 1.28 -0.20 -0.07 -1.08 0.00 0.00 178.44 178.99 2ysm h LEU 20 N 0.13 0.30 -0.17 1.67 3.38 -1.94 -2.98 115.31 115.69 2ysm h LEU 20 Ca -0.07 -0.08 -0.09 0.00 0.09 0.00 0.00 57.88 57.73 2ysm h LEU 20 Cb 1.34 -0.08 -0.00 0.00 0.09 0.00 0.00 40.66 42.01 2ysm h LEU 20 CO 0.14 0.52 -0.23 0.44 0.09 0.00 0.00 178.44 179.39 2ysm h ASP 21 N 0.28 0.50 -3.55 -0.43 3.32 -1.97 -3.44 116.42 111.14 2ysm h ASP 21 Ca 0.05 -0.51 -0.52 0.00 0.02 0.00 0.00 57.03 56.07 2ysm h ASP 21 Cb 0.52 -0.14 -0.00 0.00 0.22 0.00 0.00 39.33 39.93 2ysm h ASP 21 CO 0.04 0.92 0.44 0.00 -1.72 0.00 0.00 179.24 178.91 2ysm s GLN 22 N -4.19 4.62 0.91 3.56 -2.07 -0.98 -4.41 119.66 117.09 2ysm s GLN 22 Ca -0.14 1.63 -0.11 0.00 -1.82 0.00 0.00 55.36 54.93 2ysm s GLN 22 Cb 0.06 -3.31 0.14 0.00 -1.09 0.00 0.00 33.01 28.81 2ysm s GLN 22 CO 0.78 0.11 1.12 -0.06 -1.32 0.00 0.00 175.29 175.92 2ysm s PHE 23 N -0.10 1.84 -0.27 9.60 0.40 -0.56 -4.68 117.98 124.21 2ysm s PHE 23 Ca 0.49 1.64 -0.02 0.00 -0.60 0.00 0.00 56.93 58.44 2ysm s PHE 23 Cb -0.27 -3.24 0.09 0.00 0.51 0.00 0.00 43.02 40.10 2ysm s PHE 23 CO 0.33 -2.68 0.08 0.12 0.70 0.00 0.00 175.22 173.77 2ysm s PHE 24 N -2.71 1.29 0.66 0.36 5.36 -1.26 -2.59 117.98 119.09 2ysm s PHE 24 Ca 0.65 -1.31 -0.17 0.00 -0.96 0.00 0.00 56.93 55.14 2ysm s PHE 24 Cb -0.21 -1.36 -0.01 0.00 -0.34 0.00 0.00 43.02 41.10 2ysm s PHE 24 CO 0.58 -0.78 1.15 0.00 -1.46 0.00 0.00 175.22 174.72 2ysm n THR 26 N -2.06 1.25 0.11 0.00 -2.24 -1.25 -3.15 114.28 106.94 2ysm n THR 26 Ca 0.15 -0.81 -0.05 0.00 -2.27 0.00 0.00 64.05 61.07 2ysm n THR 26 Cb 0.48 -0.44 -0.02 0.00 -2.10 0.00 0.00 70.33 68.25 2ysm n THR 26 CO 0.00 0.00 0.00 0.74 -0.57 0.00 0.00 175.07 175.24 2ysm h THR 27 N 0.00 0.00 0.18 4.28 2.02 -1.92 -3.38 112.91 114.09 2ysm h THR 27 Ca -0.50 -0.28 -0.34 0.00 0.77 0.00 0.00 66.41 66.06 2ysm h THR 27 Cb 2.12 0.00 0.01 0.00 -1.74 0.00 0.00 68.15 68.55 2ysm h THR 27 CO 0.03 0.00 -1.67 0.00 0.37 0.00 0.00 175.52 174.25 2ysm n GLY 29 N 1.80 1.11 4.00 0.00 0.00 -1.19 -5.06 105.19 105.85 2ysm n GLY 29 Ca -0.22 -0.30 -0.18 0.00 0.00 0.00 0.00 46.02 45.32 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 -2.08 2.77 0.08 1.61 -1.52 -1.26 -4.81 119.66 114.46 2ysm s GLN 30 Ca 0.00 -1.30 0.05 0.00 -1.95 0.00 0.00 55.36 52.16 2ysm s GLN 30 Cb 0.00 -2.71 -0.03 0.00 -0.22 0.00 0.00 33.01 30.05 2ysm s GLN 30 CO 0.00 -0.30 -0.13 -1.01 -0.25 0.00 0.00 175.29 173.60 2ysm s HIS 31 N -2.38 1.21 -0.19 0.91 3.76 -1.26 -0.92 115.29 116.41 2ysm s HIS 31 Ca 0.55 -0.50 -0.13 0.00 -0.15 0.00 0.00 55.06 54.82 2ysm s HIS 31 Cb -0.09 -0.67 0.06 0.00 1.11 0.00 0.00 32.58 32.99 2ysm s HIS 31 CO 0.33 0.06 0.48 0.71 -0.85 0.00 0.00 174.74 175.47 2ysm s TYR 32 N -1.59 -0.66 0.25 1.40 1.51 -1.07 -2.17 117.35 115.02 2ysm s TYR 32 Ca 0.01 1.44 -0.30 0.00 -1.01 0.00 0.00 57.07 57.21 2ysm s TYR 32 Cb -0.08 0.30 -0.09 0.00 -0.11 0.00 0.00 41.96 41.98 2ysm s TYR 32 CO 0.02 -0.35 1.17 -1.01 -1.11 0.00 0.00 175.55 174.27 2ysm s HIS 33 N 1.10 3.44 0.55 2.71 3.76 -1.26 -1.50 115.29 124.08 2ysm s HIS 33 Ca -0.07 1.55 0.30 0.00 -0.15 0.00 0.00 55.06 56.69 2ysm s HIS 33 Cb -0.06 -3.40 1.64 0.00 1.11 0.00 0.00 32.58 31.87 2ysm s HIS 33 CO -0.10 -1.00 1.91 0.78 -0.85 0.00 0.00 174.74 175.48 2ysm h GLY 34 N 4.32 0.00 0.27 -2.22 0.00 -1.79 -1.29 103.07 102.35 2ysm h GLY 34 Ca -0.46 0.00 -0.35 0.00 0.00 0.00 0.00 47.33 46.51 2ysm h GLY 34 CO 0.70 0.00 -2.01 1.15 0.00 0.00 0.00 176.54 176.38 2ysm n MET 35 N -2.79 0.67 -0.15 4.80 0.00 -1.26 0.99 117.12 119.38 2ysm n MET 35 Ca -0.02 0.31 0.11 0.00 0.00 0.00 0.00 57.70 58.09 2ysm n MET 35 Cb 0.30 -1.65 0.44 0.00 0.00 0.00 0.00 33.22 32.31 2ysm n MET 35 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 175.97 175.97 2ysm n LEU 37 N -4.49 0.63 -1.77 0.00 4.77 -0.81 -5.00 117.00 110.35 2ysm n LEU 37 Ca 0.12 -0.45 -0.11 0.00 -0.03 0.00 0.00 56.01 55.54 2ysm n LEU 37 Cb 0.37 0.00 0.03 0.00 -2.33 0.00 0.00 43.42 41.48 2ysm n LEU 37 CO 0.33 0.16 0.06 -0.67 -1.33 0.00 0.00 177.39 175.94 2ysm n ASP 38 N -1.42 -3.89 -4.82 -1.43 -0.08 -0.64 -5.02 116.55 99.24 2ysm n ASP 38 Ca 0.02 -0.20 -0.36 0.00 -1.51 0.00 0.00 54.79 52.74 2ysm n ASP 38 Cb 0.25 -2.61 -0.07 0.00 2.34 0.00 0.00 41.12 41.03 2ysm n ASP 38 CO 0.00 0.00 0.00 -0.63 0.12 0.00 0.00 177.20 176.69 2ysm s ILE 39 N -3.00 5.35 -0.25 5.18 1.01 0.28 -4.96 121.20 124.80 2ysm s ILE 39 Ca 0.21 0.15 -0.25 0.00 0.00 0.00 0.00 60.65 60.76 2ysm s ILE 39 Cb -0.09 -3.35 -0.00 0.00 0.01 0.00 0.00 42.46 39.03 2ysm s ILE 39 CO 0.27 0.57 0.87 0.00 0.00 0.00 0.00 174.94 176.65 2ysm s ALA 40 N -0.67 3.63 -0.12 9.38 0.00 -1.26 -4.51 121.76 128.21 2ysm s ALA 40 Ca 0.13 -0.12 -0.29 0.00 0.00 0.00 0.00 51.96 51.68 2ysm s ALA 40 Cb -0.12 -3.35 -0.05 0.00 0.00 0.00 0.00 23.12 19.60 2ysm s ALA 40 CO 0.02 -1.01 1.87 0.08 0.00 0.00 0.00 175.76 176.73 2ysm s VAL 41 N 2.95 3.31 0.15 0.00 1.01 -1.26 -4.98 120.40 121.58 2ysm s VAL 41 Ca 0.36 0.36 0.08 0.00 0.00 0.00 0.00 61.98 62.78 2ysm s VAL 41 Cb -0.15 -3.30 -0.04 0.00 0.00 0.00 0.00 36.38 32.89 2ysm s VAL 41 CO 0.08 -0.11 -0.18 0.42 0.00 0.00 0.00 175.10 175.31 2ysm s THR 42 N 5.59 1.73 -0.92 3.92 -4.23 -1.26 -5.02 115.64 115.44 2ysm s THR 42 Ca 0.84 -1.85 0.16 0.00 -1.18 0.00 0.00 61.69 59.65 2ysm s THR 42 Cb -0.33 -1.77 0.14 0.00 1.34 0.00 0.00 72.50 71.88 2ysm s THR 42 CO 0.34 -0.31 1.49 -0.81 -0.54 0.00 0.00 174.62 174.80 2ysm n PRO 43 N 0.41 0.03 -0.10 3.99 -0.04 -1.26 -2.69 135.00 135.32 2ysm n PRO 43 Ca -0.14 0.28 -0.21 0.00 -0.04 0.00 0.00 63.50 63.39 2ysm n PRO 43 Cb 0.57 -1.55 -0.10 0.00 -0.04 0.00 0.00 33.50 32.37 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 -1.61 1.87 0.39 1.53 7.94 -1.26 -4.22 117.00 121.63 2ysm n LEU 44 Ca 0.03 0.43 -0.18 0.00 -1.11 0.00 0.00 56.01 55.19 2ysm n LEU 44 Cb 0.17 -0.94 -0.09 0.00 0.53 0.00 0.00 43.42 43.10 2ysm n LEU 44 CO 0.14 0.22 0.53 0.11 -1.11 0.00 0.00 177.39 177.28 2ysm h LYS 45 N -1.00 -1.05 -0.76 1.96 1.57 -1.77 -2.58 116.57 112.94 2ysm h LYS 45 Ca -0.35 0.07 0.29 0.00 -1.87 0.00 0.00 60.65 58.79 2ysm h LYS 45 Cb 1.25 0.24 -0.14 0.00 0.08 0.00 0.00 32.23 33.66 2ysm h LYS 45 CO -0.21 -0.70 0.30 0.54 -0.57 0.00 0.00 179.45 178.81 2ysm n ARG 46 N -5.28 -0.05 -1.18 3.15 1.74 -1.10 -0.25 116.66 113.69 2ysm n ARG 46 Ca -0.13 1.07 -0.35 0.00 -0.77 0.00 0.00 57.85 57.67 2ysm n ARG 46 Cb 0.46 -1.86 -0.09 0.00 -1.02 0.00 0.00 32.46 29.95 2ysm n ARG 46 CO 0.00 0.00 0.00 0.00 -1.52 0.00 0.00 177.63 176.11 2ysm n ALA 47 N -2.66 1.52 -2.13 7.54 0.00 -0.97 -2.96 120.51 120.84 2ysm n ALA 47 Ca 0.26 -2.82 0.00 0.00 0.00 0.00 0.00 53.44 50.88 2ysm n ALA 47 Cb 0.87 -3.59 0.00 0.00 0.00 0.00 0.00 19.45 16.74 2ysm n ALA 47 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 2ysm n GLY 48 N 5.26 0.82 3.01 0.00 0.00 -1.17 -5.01 105.19 108.09 2ysm n GLY 48 Ca 0.46 -0.68 -0.36 0.00 0.00 0.00 0.00 46.02 45.44 2ysm n GLY 48 CO 0.00 0.00 0.00 1.87 0.00 0.00 0.00 173.32 175.19 2ysm n TRP 49 N -2.76 -5.19 -3.71 1.61 -0.00 0.65 -4.80 117.44 103.25 2ysm n TRP 49 Ca 0.00 -0.03 -0.28 0.00 -0.00 0.00 0.00 57.50 57.19 2ysm n TRP 49 Cb 0.46 -1.44 -0.16 0.00 -0.00 0.00 0.00 31.31 30.17 2ysm n TRP 49 CO 0.00 0.00 0.00 -0.65 -0.00 0.00 0.00 177.69 177.04 2ysm s GLN 50 N -2.00 0.56 0.81 5.87 -0.21 -1.26 -3.92 119.66 119.50 2ysm s GLN 50 Ca 0.40 -0.41 -0.14 0.00 0.02 0.00 0.00 55.36 55.23 2ysm s GLN 50 Cb -0.18 -2.04 0.03 0.00 1.00 0.00 0.00 33.01 31.82 2ysm s GLN 50 CO 0.83 -0.68 0.80 0.00 -2.12 0.00 0.00 175.29 174.12 2ysm n PRO 52 N -2.04 0.27 0.04 0.00 -0.04 -1.26 -0.31 135.00 131.66 2ysm n PRO 52 Ca 0.11 0.11 0.11 0.00 -0.04 0.00 0.00 63.50 63.79 2ysm n PRO 52 Cb 0.51 -1.50 -0.08 0.00 -0.04 0.00 0.00 33.50 32.38 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 -1.22 0.61 -0.02 0.54 -0.58 -1.26 -4.39 120.64 114.31 2ysm n GLU 53 Ca 0.08 -0.04 -0.01 0.00 -0.42 0.00 0.00 57.16 56.77 2ysm n GLU 53 Cb 0.10 -1.66 -0.06 0.00 -0.57 0.00 0.00 31.44 29.26 2ysm n GLU 53 CO 0.00 0.00 0.00 0.00 -0.48 0.00 0.00 177.13 176.65 2ysm n LYS 55 N -2.09 1.80 -4.15 0.00 4.81 0.58 -4.99 118.16 114.11 2ysm n LYS 55 Ca -0.08 0.64 -0.15 0.00 -0.87 0.00 0.00 58.31 57.85 2ysm n LYS 55 Cb 0.55 -2.17 -0.07 0.00 0.02 0.00 0.00 35.03 33.36 2ysm n LYS 55 CO 0.00 0.00 0.00 0.14 1.17 0.00 0.00 177.40 178.71 2ysm s VAL 56 N -0.75 0.00 0.54 3.15 -7.23 -1.26 -4.93 120.40 109.93 2ysm s VAL 56 Ca 0.61 -1.77 -0.19 0.00 -1.81 0.00 0.00 61.98 58.82 2ysm s VAL 56 Cb -0.65 -2.52 -0.06 0.00 0.56 0.00 0.00 36.38 33.71 2ysm s VAL 56 CO 0.58 0.00 1.13 0.00 -0.31 0.00 0.00 175.10 176.50 2ysm n GLN 58 N -1.30 0.66 -0.03 0.00 1.13 -1.23 -2.83 117.38 113.79 2ysm n GLN 58 Ca 0.12 -0.12 -0.14 0.00 -1.94 0.00 0.00 57.00 54.92 2ysm n GLN 58 Cb 0.51 -1.38 -0.11 0.00 0.11 0.00 0.00 30.24 29.38 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 0.11 0.00 1.08 2.35 -1.93 -3.34 115.58 113.85 2ysm h ASN 59 Ca -0.07 -0.67 0.00 0.00 -0.55 0.00 0.00 56.30 55.01 2ysm h ASN 59 Cb 0.92 -0.03 0.00 0.00 0.05 0.00 0.00 38.32 39.25 2ysm h ASN 59 CO 0.00 0.77 -1.05 0.00 -1.65 0.00 0.00 177.43 175.50 2ysm n LYS 61 N -1.57 -3.85 -3.61 0.00 4.76 -1.13 -5.01 118.16 107.75 2ysm n LYS 61 Ca 0.02 0.74 -0.11 0.00 -2.87 0.00 0.00 58.31 56.08 2ysm n LYS 61 Cb 0.32 -5.41 -0.05 0.00 -1.84 0.00 0.00 35.03 28.05 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 -5.28 1.06 -0.22 1.97 -1.52 -1.24 -4.95 119.66 109.48 2ysm s GLN 62 Ca 0.23 -0.58 -0.03 0.00 -1.95 0.00 0.00 55.36 53.02 2ysm s GLN 62 Cb -0.05 0.47 -0.01 0.00 -0.22 0.00 0.00 33.01 33.21 2ysm s GLN 62 CO 0.78 -0.41 -0.06 -1.54 -0.25 0.00 0.00 175.29 173.81 2ysm s SER 63 N -2.58 4.18 0.00 5.90 1.04 -1.26 -2.67 113.70 118.30 2ysm s SER 63 Ca 0.01 -0.42 0.00 0.00 0.48 0.00 0.00 55.95 56.02 2ysm s SER 63 Cb 0.01 -1.71 0.00 0.00 0.10 0.00 0.00 66.02 64.42 2ysm s SER 63 CO -0.09 -0.02 0.00 0.61 0.98 0.00 0.00 173.24 174.72 2ysm n GLY 64 N 4.77 2.63 3.41 7.32 0.00 -1.26 -5.08 105.19 116.98 2ysm n GLY 64 Ca -0.18 0.01 -0.51 0.00 0.00 0.00 0.00 46.02 45.33 2ysm n GLY 64 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 2ysm n GLU 65 N 0.00 0.73 -0.10 1.61 1.02 -1.26 -4.81 120.64 117.83 2ysm n GLU 65 Ca 0.00 0.18 -0.21 0.00 -0.02 0.00 0.00 57.16 57.12 2ysm n GLU 65 Cb 0.00 -2.21 -0.11 0.00 -0.02 0.00 0.00 31.44 29.10 2ysm n GLU 65 CO 0.00 0.00 0.00 0.38 1.18 0.00 0.00 177.13 178.69 2ysm h ASP 66 N 11.92 0.00 -0.81 1.62 2.03 -1.98 -3.32 116.42 125.88 2ysm h ASP 66 Ca -0.21 -0.52 0.18 0.00 -0.73 0.00 0.00 57.03 55.76 2ysm h ASP 66 Cb 1.34 0.00 -0.11 0.00 -0.83 0.00 0.00 39.33 39.73 2ysm h ASP 66 CO 1.07 1.43 0.29 0.28 -1.03 0.00 0.00 179.24 181.28 2ysm h SER 67 N -1.00 0.20 -0.81 4.15 0.02 -2.04 0.21 113.55 114.27 2ysm h SER 67 Ca -0.31 0.14 -0.53 0.00 -0.84 0.00 0.00 61.79 60.25 2ysm h SER 67 Cb 1.25 0.15 -0.24 0.00 0.14 0.00 0.00 62.40 63.70 2ysm h SER 67 CO -0.19 0.01 0.68 0.29 -1.14 0.00 0.00 176.83 176.48 2ysm n LYS 68 N -5.08 2.31 -4.00 3.45 5.02 -1.26 -4.84 118.16 113.76 2ysm n LYS 68 Ca 0.18 -2.64 -0.33 0.00 -2.02 0.00 0.00 58.31 53.50 2ysm n LYS 68 Cb 0.53 -2.03 -0.14 0.00 -0.02 0.00 0.00 35.03 33.36 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 -3.04 2.00 0.17 1.97 1.75 0.73 -2.93 119.30 119.95 2ysm s MET 69 Ca 0.52 -1.56 -0.31 0.00 -1.25 0.00 0.00 55.69 53.09 2ysm s MET 69 Cb 0.41 -3.11 -0.10 0.00 2.84 0.00 0.00 34.83 34.87 2ysm s MET 69 CO 0.01 -0.75 1.55 -0.51 -0.65 0.00 0.00 175.02 174.67 2ysm s LEU 70 N 1.06 4.37 -0.30 4.11 1.43 0.44 -4.73 118.68 125.06 2ysm s LEU 70 Ca -0.00 2.60 -0.03 0.00 -1.03 0.00 0.00 54.13 55.67 2ysm s LEU 70 Cb -0.20 -3.59 0.04 0.00 0.03 0.00 0.00 46.19 42.47 2ysm s LEU 70 CO -0.05 -0.80 0.01 -0.69 0.23 0.00 0.00 176.35 175.04 2ysm s VAL 71 N 1.07 3.15 0.97 -1.59 1.01 -1.26 -0.83 120.40 122.91 2ysm s VAL 71 Ca 0.69 -1.25 -0.14 0.00 0.00 0.00 0.00 61.98 61.28 2ysm s VAL 71 Cb -0.43 -2.76 0.04 0.00 0.00 0.00 0.00 36.38 33.22 2ysm s VAL 71 CO 0.32 -0.06 0.31 0.00 0.00 0.00 0.00 175.10 175.67 2ysm n ASP 73 N -1.15 1.48 0.00 0.00 2.03 -1.25 -3.61 116.55 114.05 2ysm n ASP 73 Ca 0.06 -0.06 0.00 0.00 0.52 0.00 0.00 54.79 55.30 2ysm n ASP 73 Cb 0.55 0.26 0.00 0.00 -0.72 0.00 0.00 41.12 41.20 2ysm n ASP 73 CO 0.00 0.00 0.00 0.41 -1.92 0.00 0.00 177.20 175.69 2ysm n THR 74 N -2.92 0.00 0.08 5.18 -1.04 -1.26 -4.38 114.28 109.94 2ysm n THR 74 Ca -0.35 0.68 -0.09 0.00 -2.04 0.00 0.00 64.05 62.25 2ysm n THR 74 Cb 1.00 -1.60 -0.05 0.00 -1.82 0.00 0.00 70.33 67.86 2ysm n THR 74 CO 0.00 0.00 0.00 0.00 -0.64 0.00 0.00 175.07 174.43 2ysm n ASP 76 N -3.56 -3.06 -4.53 0.00 -0.08 -1.24 -4.70 116.55 99.38 2ysm n ASP 76 Ca -0.03 -0.31 -0.33 0.00 -1.51 0.00 0.00 54.79 52.61 2ysm n ASP 76 Cb 0.87 -2.66 -0.12 0.00 2.34 0.00 0.00 41.12 41.55 2ysm n ASP 76 CO 0.00 0.00 0.00 -0.54 0.12 0.00 0.00 177.20 176.78 2ysm s LYS 77 N -4.15 2.68 0.24 -0.67 1.02 -1.26 -4.79 119.74 112.82 2ysm s LYS 77 Ca 0.10 -0.61 -0.30 0.00 0.02 0.00 0.00 55.97 55.18 2ysm s LYS 77 Cb -0.01 -2.51 -0.09 0.00 -0.52 0.00 0.00 37.83 34.70 2ysm s LYS 77 CO 0.34 0.62 1.22 0.20 -0.92 0.00 0.00 175.35 176.81 2ysm s GLY 78 N -0.72 2.80 -0.19 -3.33 0.00 -1.24 -2.80 107.32 101.85 2ysm s GLY 78 Ca 0.11 1.03 -0.04 0.00 0.00 0.00 0.00 44.72 45.82 2ysm s GLY 78 CO 0.01 1.81 0.27 -0.19 0.00 0.00 0.00 173.10 175.01 2ysm s TYR 79 N -0.53 -0.45 0.54 1.90 2.02 -0.01 -3.48 117.35 117.33 2ysm s TYR 79 Ca 0.51 0.64 -0.20 0.00 -0.37 0.00 0.00 57.07 57.65 2ysm s TYR 79 Cb -0.35 -0.15 -0.05 0.00 -0.40 0.00 0.00 41.96 41.01 2ysm s TYR 79 CO 0.41 -0.54 1.17 -1.01 -1.57 0.00 0.00 175.55 174.02 2ysm s HIS 80 N 2.41 2.60 0.03 2.71 3.76 -1.26 -0.42 115.29 125.12 2ysm s HIS 80 Ca 0.06 1.52 -0.24 0.00 -0.15 0.00 0.00 55.06 56.25 2ysm s HIS 80 Cb -0.14 -3.39 -0.17 0.00 1.11 0.00 0.00 32.58 29.99 2ysm s HIS 80 CO -0.12 -1.83 1.48 1.79 -0.85 0.00 0.00 174.74 175.21 2ysm h THR 81 N 1.24 1.22 0.00 1.30 1.35 -1.84 -2.31 112.91 113.88 2ysm h THR 81 Ca -0.50 -0.67 0.00 0.00 -0.55 0.00 0.00 66.41 64.69 2ysm h THR 81 Cb 1.27 1.62 0.00 0.00 -1.73 0.00 0.00 68.15 69.31 2ysm h THR 81 CO 0.57 0.18 0.00 2.22 -0.25 0.00 0.00 175.52 178.24 2ysm n PHE 82 N -4.92 0.00 0.57 4.73 -1.74 -1.26 -1.51 117.46 113.33 2ysm n PHE 82 Ca -0.07 0.00 0.10 0.00 -0.56 0.00 0.00 57.45 56.92 2ysm n PHE 82 Cb 0.16 -0.09 -0.14 0.00 1.52 0.00 0.00 39.48 40.93 2ysm n PHE 82 CO 0.00 0.00 0.00 0.00 -0.56 0.00 0.00 176.76 176.20 2ysm s LEU 84 N -3.65 4.48 -0.29 0.00 1.43 -0.57 -4.95 118.68 115.13 2ysm s LEU 84 Ca 0.01 1.23 0.02 0.00 -1.03 0.00 0.00 54.13 54.37 2ysm s LEU 84 Cb 0.15 -3.00 0.07 0.00 0.03 0.00 0.00 46.19 43.44 2ysm s LEU 84 CO 0.89 0.23 -0.04 -1.58 0.23 0.00 0.00 176.35 176.07 2ysm s GLN 85 N -1.33 2.07 1.16 1.70 0.74 -1.26 0.35 119.66 123.09 2ysm s GLN 85 Ca 0.31 -1.49 -0.18 0.00 0.05 0.00 0.00 55.36 54.06 2ysm s GLN 85 Cb -0.18 -3.04 0.26 0.00 1.10 0.00 0.00 33.01 31.15 2ysm s GLN 85 CO 0.19 -0.69 1.11 -1.25 -0.55 0.00 0.00 175.29 174.10 2ysm s PRO 86 N 1.07 -0.85 -0.03 1.67 0.04 -1.26 -5.13 135.00 130.51 2ysm s PRO 86 Ca -0.03 0.07 -0.17 0.00 0.04 0.00 0.00 61.00 60.91 2ysm s PRO 86 Cb -0.20 -1.63 -0.05 0.00 0.04 0.00 0.00 34.50 32.66 2ysm s PRO 86 CO -0.05 -3.49 0.46 0.54 0.04 0.00 0.00 177.00 174.49 2ysm s VAL 87 N -3.00 5.04 0.34 -0.36 0.11 0.15 -4.98 120.40 117.72 2ysm s VAL 87 Ca 0.70 0.94 -0.26 0.00 -2.93 0.00 0.00 61.98 60.42 2ysm s VAL 87 Cb -0.12 -3.78 -0.09 0.00 -1.53 0.00 0.00 36.38 30.86 2ysm s VAL 87 CO 0.56 0.48 1.06 -0.04 -3.33 0.00 0.00 175.10 173.83 2ysm s MET 88 N -0.43 4.40 -0.05 1.54 -1.94 -1.17 -4.97 119.30 116.68 2ysm s MET 88 Ca 0.25 1.61 -0.03 0.00 -1.71 0.00 0.00 55.69 55.81 2ysm s MET 88 Cb -0.16 -2.83 -0.27 0.00 2.01 0.00 0.00 34.83 33.57 2ysm s MET 88 CO 0.13 0.05 0.63 0.87 -0.01 0.00 0.00 175.02 176.69 2ysm h LYS 89 N 3.11 0.23 -4.42 2.03 1.79 -1.97 -3.43 116.57 113.91 2ysm h LYS 89 Ca -0.47 -0.40 -0.22 0.00 -2.18 0.00 0.00 60.65 57.38 2ysm h LYS 89 Cb 1.21 0.15 -0.14 0.00 -1.58 0.00 0.00 32.23 31.87 2ysm h LYS 89 CO 0.64 1.07 -0.51 -1.12 -1.08 0.00 0.00 179.45 178.45 2ysm s SER 90 N -6.89 0.19 -0.29 0.86 0.01 -1.26 -5.14 113.70 101.18 2ysm s SER 90 Ca -0.14 -1.32 -0.15 0.00 1.31 0.00 0.00 55.95 55.65 2ysm s SER 90 Cb 0.07 0.43 -0.03 0.00 0.21 0.00 0.00 66.02 66.70 2ysm s SER 90 CO 0.82 -0.92 0.38 -0.69 0.41 0.00 0.00 173.24 173.24 2ysm s VAL 91 N -4.08 5.16 -0.00 3.43 1.01 -1.26 -5.05 120.40 119.62 2ysm s VAL 91 Ca 0.36 0.43 -0.30 0.00 0.00 0.00 0.00 61.98 62.47 2ysm s VAL 91 Cb 0.05 -3.74 -0.06 0.00 0.00 0.00 0.00 36.38 32.64 2ysm s VAL 91 CO 0.12 0.08 1.45 -2.16 0.00 0.00 0.00 175.10 174.59 2ysm s PRO 92 N 2.08 4.26 -0.40 2.72 0.04 -1.26 -4.91 135.00 137.52 2ysm s PRO 92 Ca 0.14 2.02 -0.01 0.00 0.04 0.00 0.00 61.00 63.19 2ysm s PRO 92 Cb -0.16 -3.62 0.24 0.00 0.04 0.00 0.00 34.50 31.00 2ysm s PRO 92 CO 0.11 -0.63 2.09 0.25 0.04 0.00 0.00 177.00 178.86 2ysm n THR 93 N 4.78 2.99 0.07 1.26 -2.24 -1.26 -4.21 114.28 115.67 2ysm n THR 93 Ca 0.14 -2.04 0.00 0.00 -2.27 0.00 0.00 64.05 59.88 2ysm n THR 93 Cb 0.43 -1.33 0.00 0.00 -2.10 0.00 0.00 70.33 67.33 2ysm n THR 93 CO 0.00 0.00 0.00 0.59 -0.57 0.00 0.00 175.07 175.09 2ysm n ASN 94 N 0.16 0.45 0.00 3.42 4.13 -1.26 -5.12 115.26 117.05 2ysm n ASN 94 Ca 0.38 0.22 0.00 0.00 1.68 0.00 0.00 54.58 56.86 2ysm n ASN 94 Cb 0.59 -0.02 0.00 0.00 -1.54 0.00 0.00 39.78 38.81 2ysm n ASN 94 CO 0.00 0.00 0.00 0.61 0.28 0.00 0.00 177.26 178.15 2ysm n GLY 95 N 2.61 0.14 3.67 7.41 0.00 -1.26 -5.16 105.19 112.60 2ysm n GLY 95 Ca 0.00 0.71 -0.34 0.00 0.00 0.00 0.00 46.02 46.38 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 0.00 3.13 -0.08 1.61 -0.00 -1.26 -5.07 118.94 117.27 2ysm s TRP 96 Ca 0.00 0.16 0.02 0.00 -0.00 0.00 0.00 56.10 56.28 2ysm s TRP 96 Cb 0.00 -1.76 0.01 0.00 -0.00 0.00 0.00 33.47 31.72 2ysm s TRP 96 CO 0.00 0.46 -0.12 0.21 -0.00 0.00 0.00 176.95 177.49 2ysm s LYS 97 N -0.99 1.76 0.44 5.86 2.20 -1.26 -3.80 119.74 123.94 2ysm s LYS 97 Ca 0.14 -0.42 -0.22 0.00 -0.36 0.00 0.00 55.97 55.11 2ysm s LYS 97 Cb -0.11 -1.49 -0.09 0.00 -1.51 0.00 0.00 37.83 34.63 2ysm s LYS 97 CO 0.04 -0.01 1.06 0.00 -0.36 0.00 0.00 175.35 176.07 2ysm h LYS 99 N 2.09 -0.17 -1.25 0.00 1.63 -2.00 0.70 116.57 117.56 2ysm h LYS 99 Ca -0.49 0.01 0.36 0.00 -0.85 0.00 0.00 60.65 59.69 2ysm h LYS 99 Cb 1.22 0.04 -0.05 0.00 -0.60 0.00 0.00 32.23 32.84 2ysm h LYS 99 CO 0.61 -0.12 1.18 0.09 -3.45 0.00 0.00 179.45 177.77 2ysm n ASN 100 N -4.46 0.00 -0.10 4.20 3.02 -1.26 0.86 115.26 117.52 2ysm n ASN 100 Ca -0.01 0.77 -0.24 0.00 -0.03 0.00 0.00 54.58 55.07 2ysm n ASN 100 Cb 0.21 -0.31 -0.12 0.00 -0.61 0.00 0.00 39.78 38.95 2ysm n ASN 100 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 2ysm h ARG 102 N -0.65 0.01 -3.49 0.00 3.08 0.43 -3.42 114.38 110.34 2ysm h ARG 102 Ca -0.50 -0.00 -0.48 0.00 0.07 0.00 0.00 59.98 59.07 2ysm h ARG 102 Cb 1.63 -0.00 0.02 0.00 0.08 0.00 0.00 29.97 31.69 2ysm h ARG 102 CO -0.20 0.00 0.17 -0.89 -1.07 0.00 0.00 179.97 177.99 2ysm n ILE 103 N -5.37 0.00 -1.87 2.04 -0.00 -0.94 -4.90 119.36 108.32 2ysm n ILE 103 Ca 0.31 0.00 -0.30 0.00 -0.00 0.00 0.00 62.75 62.76 2ysm n ILE 103 Cb 1.04 -0.11 0.19 0.00 -0.00 0.00 0.00 39.64 40.76 2ysm n ILE 103 CO 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 176.55 176.55 2ysm n ILE 105 N -3.83 -6.67 -4.18 0.00 2.08 -1.26 -5.02 119.36 100.48 2ysm n ILE 105 Ca 0.15 -0.73 -0.14 0.00 0.56 0.00 0.00 62.75 62.58 2ysm n ILE 105 Cb 0.59 -5.34 -0.08 0.00 -0.75 0.00 0.00 39.64 34.07 2ysm n ILE 105 CO 0.00 0.00 0.00 -0.94 0.56 0.00 0.00 176.55 176.17 2ysm s SER 106 N -4.00 0.74 0.17 4.38 1.04 -1.26 -4.99 113.70 109.78 2ysm s SER 106 Ca 0.14 -1.46 0.00 0.00 0.48 0.00 0.00 55.95 55.11 2ysm s SER 106 Cb -0.02 0.52 0.00 0.00 0.10 0.00 0.00 66.02 66.62 2ysm s SER 106 CO 0.69 -1.04 0.00 0.61 0.98 0.00 0.00 173.24 174.48 2ysm n GLY 107 N -0.45 -1.81 0.00 7.32 0.00 -1.26 -4.06 105.19 104.92 2ysm n GLY 107 Ca 0.03 -1.36 0.07 0.00 0.00 0.00 0.00 46.02 44.77 2ysm n GLY 107 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 2ysm n PRO 108 N -2.75 0.34 0.42 1.61 -0.04 -1.26 -3.54 135.00 129.78 2ysm n PRO 108 Ca -0.00 0.08 -0.17 0.00 -0.04 0.00 0.00 63.50 63.37 2ysm n PRO 108 Cb 0.29 -1.50 -0.08 0.00 -0.04 0.00 0.00 33.50 32.17 2ysm n PRO 108 CO 0.00 0.00 0.00 0.77 -0.04 0.00 0.00 175.50 176.23 2ysm h SER 109 N 0.00 -0.91 -3.75 3.54 0.02 -2.02 -3.43 113.55 106.99 2ysm h SER 109 Ca 0.00 0.03 -0.68 0.00 -0.84 0.00 0.00 61.79 60.30 2ysm h SER 109 Cb 0.07 0.24 -0.23 0.00 0.14 0.00 0.00 62.40 62.62 2ysm h SER 109 CO 0.00 -0.56 -0.75 -0.44 -1.14 0.00 0.00 176.83 173.94 2ysm s SER 110 N -4.22 4.20 0.00 3.07 0.01 -1.23 -5.11 113.70 110.41 2ysm s SER 110 Ca -0.16 -0.19 0.00 0.00 1.31 0.00 0.00 55.95 56.92 2ysm s SER 110 Cb 0.02 -1.14 0.00 0.00 0.21 0.00 0.00 66.02 65.10 2ysm s SER 110 CO 0.47 0.30 0.00 0.61 0.41 0.00 0.00 173.24 175.03