#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 4.20 0.77 1.61 1.04 -1.26 -5.11 113.70 114.96 2ysm s SER 2 Ca 0.00 -0.53 -0.14 0.00 0.48 0.00 0.00 55.95 55.76 2ysm s SER 2 Cb 0.00 -0.71 0.05 0.00 0.10 0.00 0.00 66.02 65.46 2ysm s SER 2 CO 0.00 0.14 1.11 -1.54 0.98 0.00 0.00 173.24 173.93 2ysm n SER 3 N 0.38 0.83 -2.97 7.02 3.41 -1.26 -4.89 113.62 116.15 2ysm n SER 3 Ca -0.13 0.62 -0.33 0.00 -0.26 0.00 0.00 58.87 58.77 2ysm n SER 3 Cb 0.54 -1.47 -0.03 0.00 -0.26 0.00 0.00 64.21 62.99 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 0.79 4.84 0.42 5.00 0.00 -1.26 -4.38 105.19 110.60 2ysm n GLY 4 Ca 0.13 -2.02 -0.17 0.00 0.00 0.00 0.00 46.02 43.97 2ysm n GLY 4 CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76 2ysm n SER 5 N 1.11 1.39 -3.81 1.61 7.64 -1.26 -5.02 113.62 115.27 2ysm n SER 5 Ca 0.55 0.24 -0.25 0.00 1.01 0.00 0.00 58.87 60.41 2ysm n SER 5 Cb 0.40 -0.56 0.02 0.00 -1.01 0.00 0.00 64.21 63.06 2ysm n SER 5 CO 0.00 0.00 0.00 -1.20 -3.01 0.00 0.00 175.04 170.83 2ysm n SER 6 N -3.90 -2.43 -3.64 6.43 7.64 -1.26 -4.96 113.62 111.50 2ysm n SER 6 Ca -0.31 -0.83 -0.07 0.00 1.01 0.00 0.00 58.87 58.67 2ysm n SER 6 Cb 0.68 -3.87 -0.07 0.00 -1.01 0.00 0.00 64.21 59.93 2ysm n SER 6 CO 0.00 0.00 0.00 -0.83 -3.01 0.00 0.00 175.04 171.20 2ysm s GLY 7 N -3.96 0.05 -0.43 0.23 0.00 -1.26 -5.12 107.32 96.82 2ysm s GLY 7 Ca 0.26 3.00 -0.07 0.00 0.00 0.00 0.00 44.72 47.90 2ysm s GLY 7 CO 0.83 1.85 0.27 0.00 0.00 0.00 0.00 173.10 176.04 2ysm s ALA 8 N 0.10 3.28 0.46 3.20 0.00 -1.26 -5.08 121.76 122.46 2ysm s ALA 8 Ca 0.05 -2.35 0.08 0.00 0.00 0.00 0.00 51.96 49.73 2ysm s ALA 8 Cb -0.05 -2.63 0.02 0.00 0.00 0.00 0.00 23.12 20.46 2ysm s ALA 8 CO -0.10 -1.76 0.53 -0.80 0.00 0.00 0.00 175.76 173.64 2ysm s ASN 9 N 2.22 5.27 0.24 0.00 0.01 -1.26 -4.82 114.94 116.60 2ysm s ASN 9 Ca 0.05 -0.67 -0.30 0.00 -0.71 0.00 0.00 52.86 51.22 2ysm s ASN 9 Cb -0.24 -0.37 -0.15 0.00 0.41 0.00 0.00 41.25 40.91 2ysm s ASN 9 CO -0.00 -0.86 1.12 0.00 -1.51 0.00 0.00 177.10 175.85 2ysm n ALA 11 N 0.96 2.50 0.00 0.00 0.00 -1.07 -1.24 120.51 121.66 2ysm n ALA 11 Ca 0.12 -0.54 0.00 0.00 0.00 0.00 0.00 53.44 53.02 2ysm n ALA 11 Cb 0.29 -1.06 0.00 0.00 0.00 0.00 0.00 19.45 18.68 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 0.35 0.00 0.05 0.00 0.24 -1.26 -4.80 118.33 112.91 2ysm n VAL 12 Ca 0.15 0.00 0.07 0.00 -2.04 0.00 0.00 64.34 62.52 2ysm n VAL 12 Cb 0.32 -0.60 -0.11 0.00 -1.47 0.00 0.00 33.84 31.98 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 -1.95 -4.95 -4.16 0.00 8.00 -0.37 -4.96 116.55 108.16 2ysm n ASP 14 Ca -0.02 -0.52 -0.22 0.00 0.71 0.00 0.00 54.79 54.73 2ysm n ASP 14 Cb 0.37 -4.75 -0.14 0.00 -0.02 0.00 0.00 41.12 36.57 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 -3.57 1.85 0.00 -2.24 0.15 -1.26 -4.77 113.70 103.85 2ysm s SER 15 Ca 0.39 -0.42 -0.24 0.00 0.70 0.00 0.00 55.95 56.39 2ysm s SER 15 Cb -0.17 -0.15 -0.18 0.00 -1.71 0.00 0.00 66.02 63.81 2ysm s SER 15 CO 0.68 0.10 1.29 1.55 1.20 0.00 0.00 173.24 178.06 2ysm h PRO 16 N 5.15 0.14 0.00 5.44 0.13 -1.95 -2.89 132.00 138.03 2ysm h PRO 16 Ca -0.38 -0.08 0.00 0.00 -0.87 0.00 0.00 66.00 64.67 2ysm h PRO 16 Cb 1.17 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.30 2ysm h PRO 16 CO 0.45 0.59 0.00 0.41 -0.23 0.00 0.00 178.00 179.22 2ysm n GLY 17 N 0.22 1.67 3.69 1.56 0.00 -1.26 -4.13 105.19 106.94 2ysm n GLY 17 Ca -0.08 -0.06 -0.38 0.00 0.00 0.00 0.00 46.02 45.50 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 -3.12 6.56 0.06 1.61 1.11 -1.26 -4.97 116.67 116.65 2ysm s ASP 18 Ca 0.00 0.66 -0.15 0.00 0.18 0.00 0.00 52.55 53.25 2ysm s ASP 18 Cb 0.00 -2.26 -0.26 0.00 1.07 0.00 0.00 42.92 41.46 2ysm s ASP 18 CO 0.00 -0.07 1.14 -0.07 1.18 0.00 0.00 175.17 177.35 2ysm h LEU 19 N 7.33 0.88 -0.76 1.23 -0.00 -1.91 -3.07 115.31 119.00 2ysm h LEU 19 Ca -0.37 -0.78 -0.13 0.00 -0.00 0.00 0.00 57.88 56.59 2ysm h LEU 19 Cb 1.17 -0.27 -0.01 0.00 -0.00 0.00 0.00 40.66 41.54 2ysm h LEU 19 CO 0.74 1.56 -0.50 -0.07 -0.00 0.00 0.00 178.44 180.16 2ysm h LEU 20 N 0.30 0.31 0.10 1.67 3.38 -1.95 -3.21 115.31 115.91 2ysm h LEU 20 Ca -0.15 -0.16 -0.00 0.00 0.09 0.00 0.00 57.88 57.66 2ysm h LEU 20 Cb 1.78 -0.09 0.00 0.00 0.09 0.00 0.00 40.66 42.44 2ysm h LEU 20 CO 0.22 0.77 -0.05 0.44 0.09 0.00 0.00 178.44 179.91 2ysm h ASP 21 N 0.23 -0.11 -3.58 -0.43 5.19 -1.97 -3.42 116.42 112.33 2ysm h ASP 21 Ca 0.01 -0.12 -0.51 0.00 -0.62 0.00 0.00 57.03 55.78 2ysm h ASP 21 Cb 0.97 0.03 0.01 0.00 0.18 0.00 0.00 39.33 40.51 2ysm h ASP 21 CO 0.08 0.06 0.48 0.00 -3.12 0.00 0.00 179.24 176.74 2ysm s GLN 22 N -5.59 4.59 0.67 3.56 -2.07 -1.16 -4.33 119.66 115.33 2ysm s GLN 22 Ca -0.14 1.74 -0.12 0.00 -1.82 0.00 0.00 55.36 55.02 2ysm s GLN 22 Cb 0.04 -3.26 0.00 0.00 -1.09 0.00 0.00 33.01 28.70 2ysm s GLN 22 CO 0.65 0.08 1.06 -0.06 -1.32 0.00 0.00 175.29 175.70 2ysm s PHE 23 N -0.33 2.99 -0.37 9.60 0.40 -0.01 -4.69 117.98 125.57 2ysm s PHE 23 Ca 0.49 1.47 0.04 0.00 -0.60 0.00 0.00 56.93 58.33 2ysm s PHE 23 Cb -0.30 -2.95 0.10 0.00 0.51 0.00 0.00 43.02 40.38 2ysm s PHE 23 CO 0.36 -1.29 0.09 0.12 0.70 0.00 0.00 175.22 175.20 2ysm s PHE 24 N -2.82 3.53 0.73 0.36 5.36 -1.26 -2.25 117.98 121.63 2ysm s PHE 24 Ca 0.60 -2.95 -0.17 0.00 -0.96 0.00 0.00 56.93 53.46 2ysm s PHE 24 Cb -0.15 -2.82 -0.08 0.00 -0.34 0.00 0.00 43.02 39.62 2ysm s PHE 24 CO 0.49 -0.91 0.11 0.00 -1.46 0.00 0.00 175.22 173.45 2ysm n THR 26 N -2.23 1.09 0.05 0.00 -2.24 -1.25 -3.35 114.28 106.35 2ysm n THR 26 Ca 0.07 -0.73 -0.03 0.00 -2.27 0.00 0.00 64.05 61.09 2ysm n THR 26 Cb 0.50 -0.44 -0.01 0.00 -2.10 0.00 0.00 70.33 68.28 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 0.19 4.28 2.02 -1.91 -3.40 112.91 114.09 2ysm h THR 27 Ca -0.43 -0.30 -0.35 0.00 0.77 0.00 0.00 66.41 66.10 2ysm h THR 27 Cb 1.97 0.00 0.01 0.00 -1.74 0.00 0.00 68.15 68.39 2ysm h THR 27 CO 0.02 0.00 -1.71 0.00 0.37 0.00 0.00 175.52 174.20 2ysm n GLY 29 N 1.84 0.91 3.96 0.00 0.00 -1.21 -5.05 105.19 105.63 2ysm n GLY 29 Ca -0.23 -0.33 -0.19 0.00 0.00 0.00 0.00 46.02 45.27 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 -2.41 2.70 -0.04 1.61 -1.52 -1.26 -4.80 119.66 113.94 2ysm s GLN 30 Ca 0.00 -1.37 0.05 0.00 -1.95 0.00 0.00 55.36 52.09 2ysm s GLN 30 Cb 0.00 -2.61 -0.02 0.00 -0.22 0.00 0.00 33.01 30.16 2ysm s GLN 30 CO 0.00 -0.27 -0.19 -1.01 -0.25 0.00 0.00 175.29 173.57 2ysm s HIS 31 N -2.41 2.55 -0.10 0.91 3.76 -1.26 -1.59 115.29 117.15 2ysm s HIS 31 Ca 0.53 -0.30 -0.04 0.00 -0.15 0.00 0.00 55.06 55.10 2ysm s HIS 31 Cb -0.07 -1.58 0.05 0.00 1.11 0.00 0.00 32.58 32.08 2ysm s HIS 31 CO 0.31 0.08 0.22 0.71 -0.85 0.00 0.00 174.74 175.21 2ysm s TYR 32 N -0.65 -0.29 0.70 1.40 1.51 -0.95 -2.59 117.35 116.48 2ysm s TYR 32 Ca 0.10 0.73 -0.13 0.00 -1.01 0.00 0.00 57.07 56.76 2ysm s TYR 32 Cb -0.11 -0.02 0.02 0.00 -0.11 0.00 0.00 41.96 41.75 2ysm s TYR 32 CO 0.00 -0.24 1.10 -1.01 -1.11 0.00 0.00 175.55 174.29 2ysm s HIS 33 N 1.47 2.64 0.11 2.71 3.76 -1.26 -0.83 115.29 123.89 2ysm s HIS 33 Ca -0.07 1.55 0.33 0.00 -0.15 0.00 0.00 55.06 56.72 2ysm s HIS 33 Cb -0.11 -3.10 1.35 0.00 1.11 0.00 0.00 32.58 31.83 2ysm s HIS 33 CO -0.08 -1.69 1.98 0.78 -0.85 0.00 0.00 174.74 174.88 2ysm h GLY 34 N -0.45 0.00 0.12 -2.22 0.00 -1.82 -2.99 103.07 95.70 2ysm h GLY 34 Ca -0.45 0.00 -0.32 0.00 0.00 0.00 0.00 47.33 46.56 2ysm h GLY 34 CO 0.53 0.00 -1.77 1.03 0.00 0.00 0.00 176.54 176.34 2ysm n MET 35 N -3.11 0.61 0.27 4.80 2.81 -1.26 0.13 117.12 121.37 2ysm n MET 35 Ca 0.01 0.42 0.15 0.00 -1.81 0.00 0.00 57.70 56.46 2ysm n MET 35 Cb 0.31 -1.67 0.79 0.00 -0.71 0.00 0.00 33.22 31.94 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 -2.65 0.98 -2.61 0.00 7.99 -1.13 -4.97 117.00 114.60 2ysm n LEU 37 Ca -0.02 -0.85 -0.20 0.00 -0.01 0.00 0.00 56.01 54.94 2ysm n LEU 37 Cb 0.22 0.00 0.03 0.00 -0.11 0.00 0.00 43.42 43.55 2ysm n LEU 37 CO 0.13 0.22 -0.02 0.47 -1.51 0.00 0.00 177.39 176.67 2ysm n ASP 38 N -0.17 -5.57 -4.86 -1.43 8.00 0.69 -4.99 116.55 108.21 2ysm n ASP 38 Ca 0.02 -0.23 -0.36 0.00 0.71 0.00 0.00 54.79 54.93 2ysm n ASP 38 Cb 0.09 -4.42 -0.06 0.00 -0.02 0.00 0.00 41.12 36.70 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 -3.09 5.37 -0.58 0.53 1.01 0.34 -4.98 121.20 119.81 2ysm s ILE 39 Ca 0.24 0.10 -0.20 0.00 0.00 0.00 0.00 60.65 60.79 2ysm s ILE 39 Cb -0.11 -3.36 0.08 0.00 0.01 0.00 0.00 42.46 39.08 2ysm s ILE 39 CO 0.30 0.57 0.76 0.00 0.00 0.00 0.00 174.94 176.57 2ysm s ALA 40 N -1.07 3.32 -0.71 9.38 0.00 -1.26 -4.45 121.76 126.97 2ysm s ALA 40 Ca 0.17 -1.93 -0.34 0.00 0.00 0.00 0.00 51.96 49.87 2ysm s ALA 40 Cb -0.12 -3.57 -0.17 0.00 0.00 0.00 0.00 23.12 19.25 2ysm s ALA 40 CO 0.06 -2.36 2.45 0.28 0.00 0.00 0.00 175.76 176.20 2ysm n VAL 41 N 5.71 0.02 -4.36 0.00 0.31 -1.26 -4.90 118.33 113.84 2ysm n VAL 41 Ca -0.06 -0.17 -0.24 0.00 -0.01 0.00 0.00 64.34 63.85 2ysm n VAL 41 Cb 0.44 -1.05 -0.12 0.00 -0.91 0.00 0.00 33.84 32.20 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 8.61 2.01 -2.00 2.52 -4.23 -1.26 -5.01 115.64 116.27 2ysm s THR 42 Ca 1.22 -1.89 0.12 0.00 -1.18 0.00 0.00 61.69 59.96 2ysm s THR 42 Cb -1.07 -1.91 0.33 0.00 1.34 0.00 0.00 72.50 71.19 2ysm s THR 42 CO 0.49 -0.19 1.13 -0.81 -0.54 0.00 0.00 174.62 174.70 2ysm n PRO 43 N 0.43 0.49 -0.10 3.99 -0.04 -1.26 -2.50 135.00 136.01 2ysm n PRO 43 Ca -0.14 0.00 -0.13 0.00 -0.04 0.00 0.00 63.50 63.19 2ysm n PRO 43 Cb 0.56 -1.37 -0.09 0.00 -0.04 0.00 0.00 33.50 32.55 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 -0.87 2.66 -0.03 1.53 7.94 -1.26 -4.63 117.00 122.33 2ysm n LEU 44 Ca 0.09 -0.09 -0.13 0.00 -1.11 0.00 0.00 56.01 54.76 2ysm n LEU 44 Cb 0.04 -0.57 -0.11 0.00 0.53 0.00 0.00 43.42 43.31 2ysm n LEU 44 CO 0.07 0.78 0.55 0.11 -1.11 0.00 0.00 177.39 177.79 2ysm h LYS 45 N 0.00 0.04 -0.70 1.96 1.57 -1.75 -3.25 116.57 114.43 2ysm h LYS 45 Ca -0.43 -0.03 0.25 0.00 -1.87 0.00 0.00 60.65 58.57 2ysm h LYS 45 Cb 1.71 0.01 -0.13 0.00 0.08 0.00 0.00 32.23 33.89 2ysm h LYS 45 CO -0.06 0.67 0.22 0.54 -0.57 0.00 0.00 179.45 180.25 2ysm n ARG 46 N -4.74 -0.05 -1.54 3.15 1.74 -1.04 -2.99 116.66 111.19 2ysm n ARG 46 Ca -0.09 1.00 -0.44 0.00 -0.77 0.00 0.00 57.85 57.56 2ysm n ARG 46 Cb 0.34 -1.70 -0.05 0.00 -1.02 0.00 0.00 32.46 30.03 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 -2.84 1.36 -4.13 7.54 0.00 -1.23 -2.93 120.51 118.28 2ysm n ALA 47 Ca 0.22 -0.33 -0.39 0.00 0.00 0.00 0.00 53.44 52.94 2ysm n ALA 47 Cb 0.75 -2.86 -0.03 0.00 0.00 0.00 0.00 19.45 17.32 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 6.06 -0.52 3.73 0.00 0.00 -1.26 -4.81 105.19 108.39 2ysm n GLY 48 Ca 0.36 0.26 -0.40 0.00 0.00 0.00 0.00 46.02 46.23 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 -4.69 2.35 -4.51 1.61 -0.00 -1.15 -4.87 117.44 106.18 2ysm n TRP 49 Ca -0.18 0.47 -0.33 0.00 -0.00 0.00 0.00 57.50 57.45 2ysm n TRP 49 Cb 0.58 -2.41 -0.12 0.00 -0.00 0.00 0.00 31.31 29.36 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 -2.32 3.53 0.63 5.87 -0.21 -1.26 -3.95 119.66 121.95 2ysm s GLN 50 Ca 0.61 -0.56 -0.13 0.00 0.02 0.00 0.00 55.36 55.31 2ysm s GLN 50 Cb -0.48 -2.82 -0.02 0.00 1.00 0.00 0.00 33.01 30.68 2ysm s GLN 50 CO 0.58 0.28 1.04 0.00 -2.12 0.00 0.00 175.29 175.06 2ysm n PRO 52 N -2.61 0.02 0.07 0.00 -0.04 -1.26 0.07 135.00 131.25 2ysm n PRO 52 Ca 0.07 0.25 0.12 0.00 -0.04 0.00 0.00 63.50 63.90 2ysm n PRO 52 Cb 0.54 -1.50 0.03 0.00 -0.04 0.00 0.00 33.50 32.52 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 -1.48 0.48 -0.00 0.54 1.02 -1.26 -4.21 120.64 115.73 2ysm n GLU 53 Ca 0.04 0.06 0.02 0.00 -0.02 0.00 0.00 57.16 57.26 2ysm n GLU 53 Cb 0.16 -1.73 -0.02 0.00 -0.02 0.00 0.00 31.44 29.83 2ysm n GLU 53 CO 0.00 0.00 0.00 0.00 1.18 0.00 0.00 177.13 178.31 2ysm s LYS 55 N -1.98 4.21 0.18 0.00 2.20 0.11 -4.96 119.74 119.50 2ysm s LYS 55 Ca -0.01 2.43 -0.15 0.00 -0.36 0.00 0.00 55.97 57.89 2ysm s LYS 55 Cb 0.02 -3.01 0.02 0.00 -1.51 0.00 0.00 37.83 33.35 2ysm s LYS 55 CO 0.13 -0.40 0.43 0.14 -0.36 0.00 0.00 175.35 175.29 2ysm s VAL 56 N -1.06 0.04 0.72 4.02 -7.23 -1.26 -4.91 120.40 110.72 2ysm s VAL 56 Ca 0.52 -0.96 -0.16 0.00 -1.81 0.00 0.00 61.98 59.56 2ysm s VAL 56 Cb -0.44 -1.63 0.01 0.00 0.56 0.00 0.00 36.38 34.88 2ysm s VAL 56 CO 0.58 -0.20 1.01 0.00 -0.31 0.00 0.00 175.10 176.18 2ysm n GLN 58 N -1.92 1.46 0.01 0.00 1.13 -1.21 -3.05 117.38 113.80 2ysm n GLN 58 Ca 0.13 -0.07 -0.19 0.00 -1.94 0.00 0.00 57.00 54.93 2ysm n GLN 58 Cb 0.49 -1.19 -0.14 0.00 0.11 0.00 0.00 30.24 29.52 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 0.34 0.00 1.08 4.21 -1.88 -3.40 115.58 115.94 2ysm h ASN 59 Ca 0.00 -0.92 -0.14 0.00 1.21 0.00 0.00 56.30 56.46 2ysm h ASN 59 Cb 0.43 -0.11 -0.03 0.00 -1.12 0.00 0.00 38.32 37.50 2ysm h ASN 59 CO 0.00 1.38 -1.73 0.00 -1.29 0.00 0.00 177.43 175.78 2ysm n LYS 61 N -2.26 -3.59 -3.32 0.00 4.76 -1.17 -5.04 118.16 107.55 2ysm n LYS 61 Ca -0.13 0.61 -0.08 0.00 -2.87 0.00 0.00 58.31 55.84 2ysm n LYS 61 Cb 0.69 -4.77 -0.07 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 -4.61 0.39 0.00 1.97 -0.21 -1.26 -4.93 119.66 111.01 2ysm s GLN 62 Ca 0.12 0.44 -0.27 0.00 0.02 0.00 0.00 55.36 55.66 2ysm s GLN 62 Cb -0.02 -0.33 -0.04 0.00 1.00 0.00 0.00 33.01 33.63 2ysm s GLN 62 CO 0.52 -0.77 0.87 0.45 -2.12 0.00 0.00 175.29 174.23 2ysm s SER 63 N 2.57 7.26 0.00 5.90 0.15 -1.26 -4.59 113.70 123.73 2ysm s SER 63 Ca 0.12 1.52 0.00 0.00 0.70 0.00 0.00 55.95 58.29 2ysm s SER 63 Cb -0.14 -2.51 0.00 0.00 -1.71 0.00 0.00 66.02 61.65 2ysm s SER 63 CO -0.21 -0.15 0.00 0.61 1.20 0.00 0.00 173.24 174.69 2ysm n GLY 64 N 2.78 -0.15 3.37 9.45 0.00 -1.26 -5.06 105.19 114.32 2ysm n GLY 64 Ca 0.02 0.01 -0.46 0.00 0.00 0.00 0.00 46.02 45.59 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 3.74 0.03 1.61 8.01 -1.26 -4.88 118.70 124.20 2ysm s GLU 65 Ca 0.00 -2.44 -0.25 0.00 0.01 0.00 0.00 54.97 52.29 2ysm s GLU 65 Cb 0.00 -4.61 -0.18 0.00 -4.31 0.00 0.00 34.13 25.03 2ysm s GLU 65 CO 0.00 -1.43 1.45 0.38 0.01 0.00 0.00 175.26 175.67 2ysm h ASP 66 N 7.79 -0.06 -0.05 -0.19 2.03 -1.97 -0.40 116.42 123.57 2ysm h ASP 66 Ca 0.15 -0.25 0.02 0.00 -0.73 0.00 0.00 57.03 56.21 2ysm h ASP 66 Cb 1.00 0.02 -0.05 0.00 -0.83 0.00 0.00 39.33 39.47 2ysm h ASP 66 CO 0.91 0.22 -0.42 -1.28 -1.03 0.00 0.00 179.24 177.65 2ysm h SER 67 N -0.35 -1.30 -0.78 4.15 0.87 -2.05 -1.44 113.55 112.65 2ysm h SER 67 Ca -0.01 0.15 0.04 0.00 -1.23 0.00 0.00 61.79 60.74 2ysm h SER 67 Cb 0.31 0.50 -0.05 0.00 -0.44 0.00 0.00 62.40 62.73 2ysm h SER 67 CO 0.01 -0.39 0.51 0.11 -0.53 0.00 0.00 176.83 176.55 2ysm h LYS 68 N -0.49 0.90 -6.53 2.24 1.57 -1.98 -3.42 116.57 108.86 2ysm h LYS 68 Ca 0.02 -0.05 -0.58 0.00 -1.87 0.00 0.00 60.65 58.17 2ysm h LYS 68 Cb 0.54 -0.20 0.06 0.00 0.08 0.00 0.00 32.23 32.71 2ysm h LYS 68 CO -0.30 0.60 0.82 -0.12 -0.57 0.00 0.00 179.45 179.88 2ysm n MET 69 N -4.46 2.23 -3.67 3.15 1.56 -0.16 -3.36 117.12 112.42 2ysm n MET 69 Ca 0.10 0.80 -0.37 0.00 -0.27 0.00 0.00 57.70 57.97 2ysm n MET 69 Cb 0.14 -2.58 -0.11 0.00 2.15 0.00 0.00 33.22 32.82 2ysm n MET 69 CO 0.00 0.00 0.00 -0.51 -0.73 0.00 0.00 175.97 174.73 2ysm s LEU 70 N 0.94 3.86 -0.44 -0.89 1.43 -0.40 -4.91 118.68 118.28 2ysm s LEU 70 Ca 0.78 -0.04 -0.17 0.00 -1.03 0.00 0.00 54.13 53.67 2ysm s LEU 70 Cb -0.66 -2.06 0.03 0.00 0.03 0.00 0.00 46.19 43.54 2ysm s LEU 70 CO 0.37 -0.02 0.44 -0.69 0.23 0.00 0.00 176.35 176.68 2ysm s VAL 71 N 1.56 5.10 1.02 -1.59 1.01 -1.26 -2.09 120.40 124.15 2ysm s VAL 71 Ca 0.07 -0.49 -0.16 0.00 0.00 0.00 0.00 61.98 61.40 2ysm s VAL 71 Cb -0.15 -4.07 0.04 0.00 0.00 0.00 0.00 36.38 32.20 2ysm s VAL 71 CO 0.08 -0.48 0.12 0.00 0.00 0.00 0.00 175.10 174.81 2ysm n ASP 73 N -0.99 1.74 -0.05 0.00 8.00 -1.24 -3.77 116.55 120.23 2ysm n ASP 73 Ca 0.04 -0.15 -0.04 0.00 0.71 0.00 0.00 54.79 55.34 2ysm n ASP 73 Cb 0.58 1.48 -0.01 0.00 -0.02 0.00 0.00 41.12 43.15 2ysm n ASP 73 CO 0.00 0.00 0.00 0.41 -0.39 0.00 0.00 177.20 177.22 2ysm n THR 74 N -1.83 0.95 0.13 -3.53 -1.04 -1.26 -4.62 114.28 103.08 2ysm n THR 74 Ca -0.01 0.29 0.07 0.00 -2.04 0.00 0.00 64.05 62.36 2ysm n THR 74 Cb 0.31 -2.07 0.03 0.00 -1.82 0.00 0.00 70.33 66.78 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 -2.95 -3.11 -3.33 0.00 -0.08 -1.25 -4.84 116.55 100.99 2ysm n ASP 76 Ca -0.01 -0.40 -0.10 0.00 -1.51 0.00 0.00 54.79 52.77 2ysm n ASP 76 Cb 0.65 -3.60 0.04 0.00 2.34 0.00 0.00 41.12 40.56 2ysm n ASP 76 CO 0.00 0.00 0.00 0.29 0.12 0.00 0.00 177.20 177.61 2ysm n LYS 77 N -3.27 0.55 -4.10 -0.67 4.76 -1.26 -4.75 118.16 109.43 2ysm n LYS 77 Ca -0.12 -1.41 -0.24 0.00 -2.87 0.00 0.00 58.31 53.66 2ysm n LYS 77 Cb 0.59 -0.21 -0.17 0.00 -1.84 0.00 0.00 35.03 33.40 2ysm n LYS 77 CO 0.00 0.00 0.00 0.20 -1.37 0.00 0.00 177.40 176.23 2ysm s GLY 78 N -3.47 0.69 -0.15 0.72 0.00 -1.26 -2.32 107.32 101.54 2ysm s GLY 78 Ca 0.31 -0.35 -0.05 0.00 0.00 0.00 0.00 44.72 44.63 2ysm s GLY 78 CO 0.20 0.62 0.26 -0.19 0.00 0.00 0.00 173.10 173.99 2ysm s TYR 79 N 1.34 -0.43 0.49 1.90 2.02 -0.89 -3.35 117.35 118.43 2ysm s TYR 79 Ca -0.03 0.87 -0.23 0.00 -0.37 0.00 0.00 57.07 57.31 2ysm s TYR 79 Cb -0.14 -0.08 -0.06 0.00 -0.40 0.00 0.00 41.96 41.28 2ysm s TYR 79 CO -0.03 -0.41 1.27 -1.01 -1.57 0.00 0.00 175.55 173.79 2ysm s HIS 80 N 2.42 2.62 0.18 2.71 3.76 -1.26 -1.27 115.29 124.44 2ysm s HIS 80 Ca 0.03 1.45 -0.18 0.00 -0.15 0.00 0.00 55.06 56.20 2ysm s HIS 80 Cb -0.13 -3.60 0.13 0.00 1.11 0.00 0.00 32.58 30.09 2ysm s HIS 80 CO -0.09 -2.18 1.63 1.79 -0.85 0.00 0.00 174.74 175.03 2ysm h THR 81 N 1.78 0.38 0.00 1.30 1.35 -1.88 0.43 112.91 116.27 2ysm h THR 81 Ca -0.50 0.00 -0.00 0.00 -0.55 0.00 0.00 66.41 65.36 2ysm h THR 81 Cb 1.27 0.38 -0.00 0.00 -1.73 0.00 0.00 68.15 68.07 2ysm h THR 81 CO 0.59 0.00 -0.00 2.19 -0.25 0.00 0.00 175.52 178.05 2ysm h PHE 82 N -0.11 0.00 -0.36 4.73 -5.15 -1.92 -2.02 116.94 112.12 2ysm h PHE 82 Ca 0.22 0.00 -0.07 0.00 -0.20 0.00 0.00 57.97 57.92 2ysm h PHE 82 Cb 0.45 0.00 -0.04 0.00 0.22 0.00 0.00 35.95 36.58 2ysm h PHE 82 CO -0.47 0.00 0.09 0.00 -2.00 0.00 0.00 178.31 175.93 2ysm s LEU 84 N -1.51 3.11 -0.30 0.00 1.43 -0.82 -4.68 118.68 115.90 2ysm s LEU 84 Ca 0.29 -0.24 0.02 0.00 -1.03 0.00 0.00 54.13 53.17 2ysm s LEU 84 Cb 0.23 -1.83 0.09 0.00 0.03 0.00 0.00 46.19 44.71 2ysm s LEU 84 CO 0.08 0.24 0.04 -1.58 0.23 0.00 0.00 176.35 175.36 2ysm s GLN 85 N -1.69 1.26 1.22 1.70 2.00 -1.26 -0.58 119.66 122.30 2ysm s GLN 85 Ca 0.19 -1.38 -0.20 0.00 -2.00 0.00 0.00 55.36 51.97 2ysm s GLN 85 Cb -0.11 -2.63 0.29 0.00 0.80 0.00 0.00 33.01 31.36 2ysm s GLN 85 CO 0.10 -0.87 1.11 -1.25 -0.50 0.00 0.00 175.29 173.88 2ysm s PRO 86 N 1.27 -1.35 0.37 1.67 0.04 -1.26 -5.08 135.00 130.67 2ysm s PRO 86 Ca 0.06 -0.11 -0.16 0.00 0.04 0.00 0.00 61.00 60.82 2ysm s PRO 86 Cb -0.18 -1.59 -0.09 0.00 0.04 0.00 0.00 34.50 32.68 2ysm s PRO 86 CO -0.13 -3.79 0.81 0.08 0.04 0.00 0.00 177.00 174.01 2ysm s VAL 87 N -3.01 4.60 0.05 -0.36 1.01 0.25 -5.00 120.40 117.93 2ysm s VAL 87 Ca 0.71 1.09 -0.08 0.00 0.00 0.00 0.00 61.98 63.70 2ysm s VAL 87 Cb -0.09 -3.62 -0.05 0.00 0.00 0.00 0.00 36.38 32.61 2ysm s VAL 87 CO 0.56 -0.28 0.34 -0.04 0.00 0.00 0.00 175.10 175.67 2ysm s MET 88 N -3.18 3.68 -0.15 2.72 -1.94 -0.86 -4.99 119.30 114.57 2ysm s MET 88 Ca 0.56 0.06 -0.10 0.00 -1.71 0.00 0.00 55.69 54.50 2ysm s MET 88 Cb -0.10 -3.04 -0.24 0.00 2.01 0.00 0.00 34.83 33.47 2ysm s MET 88 CO 0.18 0.60 0.30 1.63 -0.01 0.00 0.00 175.02 177.72 2ysm n LYS 89 N 1.00 0.71 -4.36 2.03 4.01 -1.26 -4.55 118.16 115.73 2ysm n LYS 89 Ca -0.09 0.33 -0.21 0.00 -0.51 0.00 0.00 58.31 57.82 2ysm n LYS 89 Cb 0.52 -1.71 -0.08 0.00 -0.51 0.00 0.00 35.03 33.25 2ysm n LYS 89 CO 0.00 0.00 0.00 -1.54 -1.11 0.00 0.00 177.40 174.75 2ysm s SER 90 N -6.99 1.96 -0.33 4.39 1.04 -1.26 -5.12 113.70 107.39 2ysm s SER 90 Ca -0.25 -1.70 -0.10 0.00 0.48 0.00 0.00 55.95 54.38 2ysm s SER 90 Cb 0.07 0.52 -0.00 0.00 0.10 0.00 0.00 66.02 66.71 2ysm s SER 90 CO 0.72 -1.00 0.17 -0.69 0.98 0.00 0.00 173.24 173.43 2ysm s VAL 91 N -3.42 4.70 0.30 5.02 1.01 -1.26 -5.08 120.40 121.68 2ysm s VAL 91 Ca 0.34 -0.46 -0.29 0.00 0.00 0.00 0.00 61.98 61.57 2ysm s VAL 91 Cb 0.03 -3.43 -0.10 0.00 0.00 0.00 0.00 36.38 32.88 2ysm s VAL 91 CO 0.22 0.01 1.23 -2.16 0.00 0.00 0.00 175.10 174.39 2ysm s PRO 92 N 1.62 4.46 -0.23 2.72 0.04 -1.26 -4.94 135.00 137.41 2ysm s PRO 92 Ca 0.04 2.05 0.14 0.00 0.04 0.00 0.00 61.00 63.28 2ysm s PRO 92 Cb -0.17 -3.12 0.78 0.00 0.04 0.00 0.00 34.50 32.03 2ysm s PRO 92 CO 0.07 -0.04 1.71 0.25 0.04 0.00 0.00 177.00 179.03 2ysm n THR 93 N 1.04 2.72 -2.35 1.26 -2.24 -1.26 -4.48 114.28 108.98 2ysm n THR 93 Ca -0.00 -1.49 -0.28 0.00 -2.27 0.00 0.00 64.05 60.01 2ysm n THR 93 Cb 0.43 -0.28 0.01 0.00 -2.10 0.00 0.00 70.33 68.39 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 0.44 5.13 -2.64 3.42 3.02 -1.26 -5.00 115.26 118.37 2ysm n ASN 94 Ca 0.27 -3.74 -0.05 0.00 -0.03 0.00 0.00 54.58 51.03 2ysm n ASN 94 Cb 1.17 -0.53 -0.04 0.00 -0.61 0.00 0.00 39.78 39.76 2ysm n ASN 94 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 2ysm n GLY 95 N -0.52 -4.99 3.83 7.41 0.00 -1.26 -4.97 105.19 104.69 2ysm n GLY 95 Ca 0.42 1.67 -0.31 0.00 0.00 0.00 0.00 46.02 47.79 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 -0.71 3.21 -0.04 1.61 -0.00 -1.26 -5.02 118.94 116.73 2ysm s TRP 96 Ca -0.26 1.42 -0.02 0.00 -0.00 0.00 0.00 56.10 57.24 2ysm s TRP 96 Cb 0.02 -2.87 0.03 0.00 -0.00 0.00 0.00 33.47 30.65 2ysm s TRP 96 CO 0.76 -1.03 0.07 0.21 -0.00 0.00 0.00 176.95 176.96 2ysm s LYS 97 N -4.78 -0.05 0.29 5.86 2.20 -1.26 -3.73 119.74 118.27 2ysm s LYS 97 Ca 0.59 0.35 -0.24 0.00 -0.36 0.00 0.00 55.97 56.31 2ysm s LYS 97 Cb -0.13 -0.40 -0.09 0.00 -1.51 0.00 0.00 37.83 35.69 2ysm s LYS 97 CO 0.49 -0.28 0.87 0.00 -0.36 0.00 0.00 175.35 176.07 2ysm n LYS 99 N 0.57 -0.26 -0.37 0.00 0.00 -1.26 0.11 118.16 116.96 2ysm n LYS 99 Ca 0.01 1.23 0.32 0.00 0.00 0.00 0.00 58.31 59.87 2ysm n LYS 99 Cb 0.51 -1.82 0.54 0.00 0.00 0.00 0.00 35.03 34.26 2ysm n LYS 99 CO 0.00 0.00 0.00 -1.71 0.00 0.00 0.00 177.40 175.69 2ysm n ASN 100 N -4.33 0.19 -0.08 3.14 2.85 -1.26 0.54 115.26 116.30 2ysm n ASN 100 Ca 0.01 1.17 -0.19 0.00 -0.11 0.00 0.00 54.58 55.46 2ysm n ASN 100 Cb 0.15 -0.57 -0.12 0.00 1.24 0.00 0.00 39.78 40.48 2ysm n ASN 100 CO 0.00 0.00 0.00 0.00 -2.11 0.00 0.00 177.26 175.15 2ysm h ARG 102 N -0.96 0.09 -4.10 0.00 3.08 0.34 -3.43 114.38 109.40 2ysm h ARG 102 Ca -0.20 -0.01 -0.49 0.00 0.07 0.00 0.00 59.98 59.36 2ysm h ARG 102 Cb 1.20 -0.02 0.06 0.00 0.08 0.00 0.00 29.97 31.29 2ysm h ARG 102 CO -0.11 0.06 -0.20 -0.89 -1.07 0.00 0.00 179.97 177.76 2ysm n ILE 103 N -4.53 0.82 -1.68 2.04 2.08 -0.50 -4.53 119.36 113.05 2ysm n ILE 103 Ca 0.37 -0.20 -0.66 0.00 0.56 0.00 0.00 62.75 62.81 2ysm n ILE 103 Cb 1.47 0.00 -0.10 0.00 -0.75 0.00 0.00 39.64 40.26 2ysm n ILE 103 CO 0.00 0.00 0.00 0.00 0.56 0.00 0.00 176.55 177.11 2ysm n ILE 105 N 4.36 1.86 -3.53 0.00 0.13 -1.26 -1.85 119.36 119.07 2ysm n ILE 105 Ca 0.34 -0.46 -0.21 0.00 -1.10 0.00 0.00 62.75 61.31 2ysm n ILE 105 Cb -0.05 -0.91 0.08 0.00 -0.84 0.00 0.00 39.64 37.93 2ysm n ILE 105 CO 0.00 0.00 0.00 -1.20 2.80 0.00 0.00 176.55 178.15 2ysm n SER 106 N 1.38 -4.63 -4.83 9.51 7.64 -1.26 -4.98 113.62 116.45 2ysm n SER 106 Ca 0.11 -0.57 -0.34 0.00 1.01 0.00 0.00 58.87 59.07 2ysm n SER 106 Cb 0.31 -5.07 -0.06 0.00 -1.01 0.00 0.00 64.21 58.38 2ysm n SER 106 CO 0.00 0.00 0.00 -0.83 -3.01 0.00 0.00 175.04 171.20 2ysm s GLY 107 N -3.74 2.48 -0.82 0.23 0.00 -0.77 -4.98 107.32 99.72 2ysm s GLY 107 Ca 0.35 0.10 -0.25 0.00 0.00 0.00 0.00 44.72 44.92 2ysm s GLY 107 CO 0.73 0.39 1.92 2.56 0.00 0.00 0.00 173.10 178.70 2ysm s PRO 108 N -2.46 2.58 -0.05 2.90 0.04 -1.26 -4.95 135.00 131.79 2ysm s PRO 108 Ca 0.48 -0.02 -0.30 0.00 0.04 0.00 0.00 61.00 61.21 2ysm s PRO 108 Cb -0.13 -4.86 -0.02 0.00 0.04 0.00 0.00 34.50 29.52 2ysm s PRO 108 CO 0.19 -3.19 1.00 -1.12 0.04 0.00 0.00 177.00 173.93 2ysm s SER 109 N 8.06 7.30 -0.19 6.66 0.01 -1.26 -4.95 113.70 129.33 2ysm s SER 109 Ca 0.69 1.61 -0.16 0.00 1.31 0.00 0.00 55.95 59.41 2ysm s SER 109 Cb -0.08 -2.56 -0.07 0.00 0.21 0.00 0.00 66.02 63.51 2ysm s SER 109 CO 0.06 -0.35 -0.28 -1.54 0.41 0.00 0.00 173.24 171.53 2ysm n SER 110 N 4.41 1.91 -0.64 2.44 3.41 -1.26 -5.30 113.62 118.58 2ysm n SER 110 Ca 0.07 0.40 0.13 0.00 -0.26 0.00 0.00 58.87 59.22 2ysm n SER 110 Cb 0.50 -0.80 0.38 0.00 -0.26 0.00 0.00 64.21 64.03 2ysm n SER 110 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49