#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 -1.10 0.10 1.61 1.04 -1.26 -5.13 113.70 108.96 2ysm s SER 2 Ca 0.00 0.73 -0.31 0.00 0.48 0.00 0.00 55.95 56.86 2ysm s SER 2 Cb 0.00 1.94 -0.10 0.00 0.10 0.00 0.00 66.02 67.96 2ysm s SER 2 CO 0.00 -0.21 1.89 -1.54 0.98 0.00 0.00 173.24 174.37 2ysm n SER 3 N 5.43 4.13 -4.61 7.02 3.41 -1.26 -4.98 113.62 122.77 2ysm n SER 3 Ca -0.03 0.96 -0.34 0.00 -0.26 0.00 0.00 58.87 59.19 2ysm n SER 3 Cb 0.52 -1.55 -0.11 0.00 -0.26 0.00 0.00 64.21 62.82 2ysm n SER 3 CO 0.00 0.00 0.00 -0.83 -0.16 0.00 0.00 175.04 174.05 2ysm s GLY 4 N 3.32 1.80 -0.76 5.00 0.00 -1.26 -5.03 107.32 110.39 2ysm s GLY 4 Ca 0.84 -0.81 -0.25 0.00 0.00 0.00 0.00 44.72 44.50 2ysm s GLY 4 CO 0.39 -0.31 2.04 -0.45 0.00 0.00 0.00 173.10 174.77 2ysm s SER 5 N -0.27 4.90 0.50 1.64 0.15 -1.26 -4.93 113.70 114.43 2ysm s SER 5 Ca 0.06 -0.11 0.05 0.00 0.70 0.00 0.00 55.95 56.65 2ysm s SER 5 Cb -0.12 -2.54 0.00 0.00 -1.71 0.00 0.00 66.02 61.65 2ysm s SER 5 CO 0.02 -2.85 0.26 -0.44 1.20 0.00 0.00 173.24 171.44 2ysm s SER 6 N 8.92 4.49 0.00 5.45 0.01 -1.26 -5.08 113.70 126.24 2ysm s SER 6 Ca 0.76 -1.27 0.00 0.00 1.31 0.00 0.00 55.95 56.74 2ysm s SER 6 Cb -0.10 0.19 0.00 0.00 0.21 0.00 0.00 66.02 66.31 2ysm s SER 6 CO 0.09 -0.90 0.00 0.61 0.41 0.00 0.00 173.24 173.45 2ysm n GLY 7 N -1.52 -1.15 2.42 3.44 0.00 -1.26 -4.95 105.19 102.16 2ysm n GLY 7 Ca -0.05 0.68 -0.21 0.00 0.00 0.00 0.00 46.02 46.44 2ysm n GLY 7 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2ysm n ALA 8 N 0.00 -0.63 -1.77 4.61 0.00 -1.26 -4.92 120.51 116.55 2ysm n ALA 8 Ca 0.00 0.17 -0.38 0.00 0.00 0.00 0.00 53.44 53.24 2ysm n ALA 8 Cb 0.00 -2.25 -0.01 0.00 0.00 0.00 0.00 19.45 17.18 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 -2.08 6.34 -0.01 0.00 0.01 -1.26 -4.79 114.94 113.15 2ysm s ASN 9 Ca 0.01 2.33 -0.36 0.00 -0.71 0.00 0.00 52.86 54.13 2ysm s ASN 9 Cb -0.00 -2.61 -0.15 0.00 0.41 0.00 0.00 41.25 38.90 2ysm s ASN 9 CO 0.01 -0.80 1.59 0.00 -1.51 0.00 0.00 177.10 176.39 2ysm n ALA 11 N 4.12 2.27 -0.02 0.00 0.00 -1.04 0.13 120.51 125.98 2ysm n ALA 11 Ca 0.21 -0.07 -0.03 0.00 0.00 0.00 0.00 53.44 53.55 2ysm n ALA 11 Cb 0.22 -1.17 -0.02 0.00 0.00 0.00 0.00 19.45 18.47 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 -0.73 0.27 -1.19 0.00 0.31 -1.26 -4.75 118.33 110.97 2ysm n VAL 12 Ca 0.08 -0.12 0.07 0.00 -0.01 0.00 0.00 64.34 64.37 2ysm n VAL 12 Cb 0.04 -0.72 0.10 0.00 -0.91 0.00 0.00 33.84 32.35 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 -1.08 -0.79 -4.11 0.00 2.03 0.35 -4.82 116.55 108.13 2ysm n ASP 14 Ca 0.12 -0.82 -0.21 0.00 0.52 0.00 0.00 54.79 54.40 2ysm n ASP 14 Cb 0.63 -1.04 -0.14 0.00 -0.72 0.00 0.00 41.12 39.84 2ysm n ASP 14 CO 0.00 0.00 0.00 -0.55 -1.92 0.00 0.00 177.20 174.73 2ysm s SER 15 N -2.78 1.59 -0.02 1.67 0.15 -1.24 -4.68 113.70 108.39 2ysm s SER 15 Ca 0.43 -0.32 -0.25 0.00 0.70 0.00 0.00 55.95 56.51 2ysm s SER 15 Cb -0.25 -0.15 -0.19 0.00 -1.71 0.00 0.00 66.02 63.73 2ysm s SER 15 CO 0.67 0.11 1.20 1.55 1.20 0.00 0.00 173.24 177.97 2ysm h PRO 16 N 5.49 -0.10 0.00 5.44 0.13 -1.89 0.20 132.00 141.27 2ysm h PRO 16 Ca -0.35 0.01 0.00 0.00 -0.87 0.00 0.00 66.00 64.78 2ysm h PRO 16 Cb 1.17 0.02 0.00 0.00 0.13 0.00 0.00 31.00 32.32 2ysm h PRO 16 CO 0.47 0.34 0.00 0.41 -0.23 0.00 0.00 178.00 178.99 2ysm n GLY 17 N 0.19 2.33 3.46 1.56 0.00 -1.26 -4.13 105.19 107.34 2ysm n GLY 17 Ca -0.09 0.36 -0.35 0.00 0.00 0.00 0.00 46.02 45.95 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 -4.00 4.86 -0.19 1.61 1.01 -1.26 -5.00 116.67 113.70 2ysm s ASP 18 Ca 0.00 -0.18 -0.22 0.00 0.71 0.00 0.00 52.55 52.86 2ysm s ASP 18 Cb 0.00 -1.83 -0.21 0.00 1.01 0.00 0.00 42.92 41.89 2ysm s ASP 18 CO 0.00 0.08 0.33 -0.07 0.21 0.00 0.00 175.17 175.72 2ysm h LEU 19 N 7.38 0.05 -1.97 1.23 3.38 -1.90 -3.12 115.31 120.35 2ysm h LEU 19 Ca -0.35 -0.63 -0.02 0.00 0.09 0.00 0.00 57.88 56.97 2ysm h LEU 19 Cb 1.18 -0.01 -0.00 0.00 0.09 0.00 0.00 40.66 41.91 2ysm h LEU 19 CO 0.62 1.44 -0.11 -0.07 0.09 0.00 0.00 178.44 180.41 2ysm h LEU 20 N -0.90 0.00 0.15 1.67 -0.00 -1.96 -2.39 115.31 111.88 2ysm h LEU 20 Ca -0.30 0.00 -0.29 0.00 -0.00 0.00 0.00 57.88 57.29 2ysm h LEU 20 Cb 1.32 0.00 0.01 0.00 -0.00 0.00 0.00 40.66 42.00 2ysm h LEU 20 CO -0.15 0.11 -1.30 -0.78 -0.00 0.00 0.00 178.44 176.32 2ysm h ASP 21 N 0.00 0.56 -3.77 -0.43 3.58 -1.99 -3.45 116.42 110.92 2ysm h ASP 21 Ca -0.00 -0.59 -0.49 0.00 0.42 0.00 0.00 57.03 56.37 2ysm h ASP 21 Cb 0.29 -0.18 -0.03 0.00 1.72 0.00 0.00 39.33 41.13 2ysm h ASP 21 CO 0.01 1.46 0.15 0.00 -2.88 0.00 0.00 179.24 177.98 2ysm s GLN 22 N -2.67 4.09 0.64 0.28 -2.07 -0.90 -4.61 119.66 114.41 2ysm s GLN 22 Ca -0.06 0.79 -0.13 0.00 -1.82 0.00 0.00 55.36 54.15 2ysm s GLN 22 Cb 0.06 -2.46 -0.02 0.00 -1.09 0.00 0.00 33.01 29.50 2ysm s GLN 22 CO 0.90 0.16 1.05 -0.06 -1.32 0.00 0.00 175.29 176.03 2ysm s PHE 23 N -1.94 3.13 -0.26 9.60 0.40 -1.02 -4.87 117.98 123.02 2ysm s PHE 23 Ca 0.54 1.45 -0.01 0.00 -0.60 0.00 0.00 56.93 58.31 2ysm s PHE 23 Cb -0.11 -2.91 0.08 0.00 0.51 0.00 0.00 43.02 40.59 2ysm s PHE 23 CO 0.17 -1.08 0.04 0.12 0.70 0.00 0.00 175.22 175.17 2ysm s PHE 24 N -2.81 1.78 0.49 0.36 5.36 -1.26 -2.61 117.98 119.30 2ysm s PHE 24 Ca 0.60 -1.55 -0.21 0.00 -0.96 0.00 0.00 56.93 54.81 2ysm s PHE 24 Cb -0.14 -1.54 -0.09 0.00 -0.34 0.00 0.00 43.02 40.91 2ysm s PHE 24 CO 0.46 -0.78 0.81 0.00 -1.46 0.00 0.00 175.22 174.26 2ysm n THR 26 N -1.09 0.00 -0.02 0.00 -2.24 -1.25 -3.42 114.28 106.25 2ysm n THR 26 Ca 0.11 -0.31 -0.01 0.00 -2.27 0.00 0.00 64.05 61.57 2ysm n THR 26 Cb 0.43 0.37 -0.00 0.00 -2.10 0.00 0.00 70.33 69.03 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 0.20 4.28 2.02 -1.91 -3.42 112.91 114.08 2ysm h THR 27 Ca 0.00 -0.37 -0.35 0.00 0.77 0.00 0.00 66.41 66.46 2ysm h THR 27 Cb 0.74 0.00 0.01 0.00 -1.74 0.00 0.00 68.15 67.17 2ysm h THR 27 CO 0.00 0.00 -1.68 0.00 0.37 0.00 0.00 175.52 174.21 2ysm n GLY 29 N 1.82 1.84 3.95 0.00 0.00 -1.22 -5.07 105.19 106.50 2ysm n GLY 29 Ca -0.23 -0.08 -0.24 0.00 0.00 0.00 0.00 46.02 45.48 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 -1.24 3.48 -0.06 1.61 -1.52 -1.26 -4.80 119.66 115.87 2ysm s GLN 30 Ca 0.00 -0.41 0.06 0.00 -1.95 0.00 0.00 55.36 53.06 2ysm s GLN 30 Cb 0.00 -2.71 -0.01 0.00 -0.22 0.00 0.00 33.01 30.07 2ysm s GLN 30 CO 0.00 0.22 -0.24 -1.01 -0.25 0.00 0.00 175.29 174.01 2ysm s HIS 31 N -2.22 2.33 -0.04 0.91 3.76 -1.26 -0.77 115.29 118.00 2ysm s HIS 31 Ca 0.39 -0.73 0.01 0.00 -0.15 0.00 0.00 55.06 54.58 2ysm s HIS 31 Cb -0.10 -1.54 0.02 0.00 1.11 0.00 0.00 32.58 32.08 2ysm s HIS 31 CO 0.34 -0.23 -0.02 0.71 -0.85 0.00 0.00 174.74 174.69 2ysm s TYR 32 N -0.07 0.51 0.99 1.40 1.51 -1.07 -2.48 117.35 118.13 2ysm s TYR 32 Ca -0.05 -0.09 -0.11 0.00 -1.01 0.00 0.00 57.07 55.81 2ysm s TYR 32 Cb -0.14 -0.52 0.19 0.00 -0.11 0.00 0.00 41.96 41.37 2ysm s TYR 32 CO 0.04 -0.16 1.12 -1.01 -1.11 0.00 0.00 175.55 174.43 2ysm s HIS 33 N 0.97 1.51 -0.31 2.71 3.76 -1.26 -2.43 115.29 120.24 2ysm s HIS 33 Ca -0.10 1.65 0.20 0.00 -0.15 0.00 0.00 55.06 56.66 2ysm s HIS 33 Cb -0.14 -3.28 0.18 0.00 1.11 0.00 0.00 32.58 30.45 2ysm s HIS 33 CO -0.01 -3.14 1.43 0.78 -0.85 0.00 0.00 174.74 172.95 2ysm h GLY 34 N -2.11 0.00 0.17 -2.22 0.00 -1.81 -3.29 103.07 93.81 2ysm h GLY 34 Ca -0.48 0.00 -0.37 0.00 0.00 0.00 0.00 47.33 46.48 2ysm h GLY 34 CO 0.43 0.00 -2.13 -0.13 0.00 0.00 0.00 176.54 174.71 2ysm n MET 35 N -3.06 0.65 -0.03 4.80 0.00 -1.26 0.17 117.12 118.39 2ysm n MET 35 Ca 0.02 0.29 0.23 0.00 -0.00 0.00 0.00 57.70 58.24 2ysm n MET 35 Cb 0.61 -1.61 0.72 0.00 0.00 0.00 0.00 33.22 32.94 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 -4.08 1.30 -1.43 0.00 4.77 -1.24 -4.98 117.00 111.35 2ysm n LEU 37 Ca 0.12 -0.70 -0.10 0.00 -0.03 0.00 0.00 56.01 55.30 2ysm n LEU 37 Cb 0.74 0.00 0.01 0.00 -2.33 0.00 0.00 43.42 41.84 2ysm n LEU 37 CO 0.34 0.26 -0.04 0.47 -1.33 0.00 0.00 177.39 177.09 2ysm n ASP 38 N -0.45 -3.60 -4.76 -1.43 8.00 0.99 -5.02 116.55 110.28 2ysm n ASP 38 Ca 0.05 -0.10 -0.36 0.00 0.71 0.00 0.00 54.79 55.10 2ysm n ASP 38 Cb 0.28 -2.62 -0.08 0.00 -0.02 0.00 0.00 41.12 38.69 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 -2.73 5.03 -0.28 0.53 1.01 0.44 -4.97 121.20 120.23 2ysm s ILE 39 Ca 0.10 0.03 -0.24 0.00 0.00 0.00 0.00 60.65 60.55 2ysm s ILE 39 Cb -0.04 -3.20 -0.00 0.00 0.01 0.00 0.00 42.46 39.22 2ysm s ILE 39 CO 0.12 0.56 0.79 0.00 0.00 0.00 0.00 174.94 176.42 2ysm s ALA 40 N -0.54 3.58 -0.58 9.38 0.00 -1.26 -4.30 121.76 128.04 2ysm s ALA 40 Ca 0.11 -0.31 -0.26 0.00 0.00 0.00 0.00 51.96 51.50 2ysm s ALA 40 Cb -0.12 -3.27 -0.07 0.00 0.00 0.00 0.00 23.12 19.66 2ysm s ALA 40 CO 0.02 -1.06 2.29 0.08 0.00 0.00 0.00 175.76 177.10 2ysm s VAL 41 N 2.87 3.09 0.20 0.00 1.01 -1.26 -4.93 120.40 121.38 2ysm s VAL 41 Ca 0.33 0.02 0.09 0.00 0.00 0.00 0.00 61.98 62.42 2ysm s VAL 41 Cb -0.15 -3.22 -0.04 0.00 0.00 0.00 0.00 36.38 32.97 2ysm s VAL 41 CO 0.10 -0.22 -0.11 0.42 0.00 0.00 0.00 175.10 175.30 2ysm s THR 42 N 12.03 3.07 -2.00 3.92 -4.23 -1.26 -5.00 115.64 122.16 2ysm s THR 42 Ca 0.90 -1.78 0.09 0.00 -1.18 0.00 0.00 61.69 59.72 2ysm s THR 42 Cb -0.15 -2.54 0.27 0.00 1.34 0.00 0.00 72.50 71.42 2ysm s THR 42 CO 0.21 -0.16 1.01 -0.81 -0.54 0.00 0.00 174.62 174.32 2ysm n PRO 43 N -0.08 0.49 -0.13 3.99 -0.04 -1.26 -2.87 135.00 135.10 2ysm n PRO 43 Ca -0.10 0.00 -0.27 0.00 -0.04 0.00 0.00 63.50 63.09 2ysm n PRO 43 Cb 0.56 -1.30 -0.09 0.00 -0.04 0.00 0.00 33.50 32.63 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 -0.80 1.78 0.29 1.53 0.00 -1.26 -4.45 117.00 114.09 2ysm n LEU 44 Ca 0.07 0.31 -0.16 0.00 0.00 0.00 0.00 56.01 56.23 2ysm n LEU 44 Cb 0.03 -0.74 -0.08 0.00 0.00 0.00 0.00 43.42 42.63 2ysm n LEU 44 CO 0.05 0.51 0.59 0.11 0.00 0.00 0.00 177.39 178.66 2ysm h LYS 45 N -0.91 -0.69 -1.51 1.96 1.57 -1.76 -2.78 116.57 112.46 2ysm h LYS 45 Ca -0.63 0.05 0.50 0.00 -1.87 0.00 0.00 60.65 58.69 2ysm h LYS 45 Cb 1.55 0.16 -0.13 0.00 0.08 0.00 0.00 32.23 33.89 2ysm h LYS 45 CO -0.38 -0.41 1.00 0.54 -0.57 0.00 0.00 179.45 179.63 2ysm n ARG 46 N -5.35 -0.03 -1.93 3.15 1.74 -1.14 -1.67 116.66 111.44 2ysm n ARG 46 Ca -0.12 1.23 -0.24 0.00 -0.77 0.00 0.00 57.85 57.95 2ysm n ARG 46 Cb 0.32 -2.50 -0.08 0.00 -1.02 0.00 0.00 32.46 29.19 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 -5.18 1.40 -0.39 7.54 0.00 -1.05 -3.22 121.76 120.86 2ysm s ALA 47 Ca -0.07 -1.90 -0.02 0.00 0.00 0.00 0.00 51.96 49.97 2ysm s ALA 47 Cb 0.30 -4.67 0.00 0.00 0.00 0.00 0.00 23.12 18.75 2ysm s ALA 47 CO 0.84 -5.70 0.34 0.41 0.00 0.00 0.00 175.76 171.65 2ysm n GLY 48 N 5.99 0.42 3.74 0.00 0.00 -1.23 -4.98 105.19 109.13 2ysm n GLY 48 Ca 0.44 -0.37 -0.41 0.00 0.00 0.00 0.00 46.02 45.67 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 -3.10 2.91 -0.17 1.61 -0.00 -0.67 -4.89 118.94 114.62 2ysm s TRP 49 Ca 0.13 0.87 -0.01 0.00 -0.00 0.00 0.00 56.10 57.09 2ysm s TRP 49 Cb -0.06 -3.94 -0.00 0.00 -0.00 0.00 0.00 33.47 29.47 2ysm s TRP 49 CO 0.22 -3.16 -0.13 -1.14 -0.00 0.00 0.00 176.95 172.73 2ysm s GLN 50 N -0.26 3.23 0.92 5.86 0.74 -1.26 -3.77 119.66 125.11 2ysm s GLN 50 Ca 0.62 -0.73 -0.14 0.00 0.05 0.00 0.00 55.36 55.17 2ysm s GLN 50 Cb -0.45 -2.70 0.00 0.00 1.10 0.00 0.00 33.01 30.96 2ysm s GLN 50 CO 0.44 -0.05 0.28 0.00 -0.55 0.00 0.00 175.29 175.41 2ysm n PRO 52 N -1.01 0.05 0.07 0.00 -0.04 -1.26 -0.36 135.00 132.45 2ysm n PRO 52 Ca 0.06 0.30 0.12 0.00 -0.04 0.00 0.00 63.50 63.93 2ysm n PRO 52 Cb 0.53 -1.59 0.10 0.00 -0.04 0.00 0.00 33.50 32.51 2ysm n PRO 52 CO 0.00 0.00 0.00 0.93 -0.04 0.00 0.00 175.50 176.39 2ysm h GLU 53 N 0.00 0.00 0.00 0.54 4.39 -2.05 -3.36 114.58 114.10 2ysm h GLU 53 Ca 0.00 0.00 -0.05 0.00 0.34 0.00 0.00 59.36 59.65 2ysm h GLU 53 Cb 0.27 0.00 -0.01 0.00 -0.10 0.00 0.00 28.75 28.91 2ysm h GLU 53 CO 0.00 0.00 -1.35 0.00 -1.16 0.00 0.00 179.01 176.50 2ysm s LYS 55 N -2.30 4.41 0.26 0.00 2.20 0.52 -4.99 119.74 119.84 2ysm s LYS 55 Ca -0.03 2.13 -0.19 0.00 -0.36 0.00 0.00 55.97 57.53 2ysm s LYS 55 Cb 0.03 -3.09 0.02 0.00 -1.51 0.00 0.00 37.83 33.27 2ysm s LYS 55 CO 0.25 -0.11 0.63 0.14 -0.36 0.00 0.00 175.35 175.91 2ysm s VAL 56 N -1.15 0.00 0.07 4.02 -7.23 -1.26 -4.91 120.40 109.94 2ysm s VAL 56 Ca 0.48 -1.06 -0.34 0.00 -1.81 0.00 0.00 61.98 59.25 2ysm s VAL 56 Cb -0.38 -1.99 -0.13 0.00 0.56 0.00 0.00 36.38 34.44 2ysm s VAL 56 CO 0.50 -0.01 1.71 0.00 -0.31 0.00 0.00 175.10 176.99 2ysm n GLN 58 N 4.75 1.13 -0.09 0.00 1.13 -1.25 -1.06 117.38 121.99 2ysm n GLN 58 Ca 0.19 -0.48 -0.15 0.00 -1.94 0.00 0.00 57.00 54.61 2ysm n GLN 58 Cb 0.30 -1.49 -0.08 0.00 0.11 0.00 0.00 30.24 29.08 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 1.18 0.00 -0.14 1.08 4.21 -1.89 -3.40 115.58 116.63 2ysm h ASN 59 Ca 0.00 -0.35 0.00 0.00 1.21 0.00 0.00 56.30 57.16 2ysm h ASN 59 Cb 0.35 0.00 0.00 0.00 -1.12 0.00 0.00 38.32 37.55 2ysm h ASN 59 CO 0.00 1.20 0.00 0.00 -1.29 0.00 0.00 177.43 177.34 2ysm n LYS 61 N 1.02 -2.50 -3.85 0.00 4.76 -0.23 -4.98 118.16 112.39 2ysm n LYS 61 Ca 0.12 0.46 -0.09 0.00 -2.87 0.00 0.00 58.31 55.93 2ysm n LYS 61 Cb 0.46 -4.41 -0.07 0.00 -1.84 0.00 0.00 35.03 29.17 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 -6.19 0.86 -0.15 1.97 -0.21 -1.18 -4.95 119.66 109.82 2ysm s GLN 62 Ca 0.23 -0.95 0.18 0.00 0.02 0.00 0.00 55.36 54.84 2ysm s GLN 62 Cb -0.08 0.35 0.34 0.00 1.00 0.00 0.00 33.01 34.62 2ysm s GLN 62 CO 0.86 -0.28 1.20 -1.13 -2.12 0.00 0.00 175.29 173.83 2ysm n SER 63 N -0.07 2.56 0.00 5.90 3.41 -1.26 -1.60 113.62 122.56 2ysm n SER 63 Ca -0.15 -3.14 0.00 0.00 -0.26 0.00 0.00 58.87 55.32 2ysm n SER 63 Cb 0.62 -0.46 0.00 0.00 -0.26 0.00 0.00 64.21 64.12 2ysm n SER 63 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 2ysm n GLY 64 N -1.27 -1.56 3.50 5.00 0.00 -1.26 -4.51 105.19 105.10 2ysm n GLY 64 Ca 0.17 0.00 -0.58 0.00 0.00 0.00 0.00 46.02 45.61 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 0.60 -0.12 1.61 -0.58 -1.26 -4.82 120.64 116.08 2ysm n GLU 65 Ca 0.00 0.19 -0.24 0.00 -0.42 0.00 0.00 57.16 56.69 2ysm n GLU 65 Cb 0.00 -1.93 -0.11 0.00 -0.57 0.00 0.00 31.44 28.83 2ysm n GLU 65 CO 0.00 0.00 0.00 -0.40 -0.48 0.00 0.00 177.13 176.25 2ysm n ASP 66 N 7.09 1.97 0.48 1.62 5.75 -1.26 -3.67 116.55 128.52 2ysm n ASP 66 Ca 0.40 0.18 -0.20 0.00 -0.01 0.00 0.00 54.79 55.16 2ysm n ASP 66 Cb 0.08 -0.71 -0.10 0.00 -1.03 0.00 0.00 41.12 39.36 2ysm n ASP 66 CO 0.00 0.00 0.00 -1.28 -0.11 0.00 0.00 177.20 175.81 2ysm h SER 67 N -0.54 -1.15 -0.92 -1.12 0.87 -1.98 -2.93 113.55 105.78 2ysm h SER 67 Ca -0.58 0.05 0.05 0.00 -1.23 0.00 0.00 61.79 60.07 2ysm h SER 67 Cb 1.72 0.31 -0.06 0.00 -0.44 0.00 0.00 62.40 63.94 2ysm h SER 67 CO -0.23 -0.77 0.60 0.11 -0.53 0.00 0.00 176.83 176.01 2ysm h LYS 68 N -1.25 1.07 -5.38 2.24 1.57 -1.98 -3.42 116.57 109.43 2ysm h LYS 68 Ca -0.12 -0.06 -0.59 0.00 -1.87 0.00 0.00 60.65 58.01 2ysm h LYS 68 Cb 0.98 -0.24 -0.07 0.00 0.08 0.00 0.00 32.23 32.98 2ysm h LYS 68 CO 0.17 0.71 1.61 -0.12 -0.57 0.00 0.00 179.45 181.25 2ysm n MET 69 N -4.46 0.11 -2.02 3.15 1.56 -1.11 -4.33 117.12 110.01 2ysm n MET 69 Ca 0.13 0.01 -0.41 0.00 -0.27 0.00 0.00 57.70 57.16 2ysm n MET 69 Cb 0.14 -1.65 -0.03 0.00 2.15 0.00 0.00 33.22 33.83 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 8.19 3.42 -0.49 -0.89 1.43 0.34 -4.81 118.68 125.87 2ysm s LEU 70 Ca 1.28 0.89 -0.23 0.00 -1.03 0.00 0.00 54.13 55.05 2ysm s LEU 70 Cb -1.26 -3.09 0.03 0.00 0.03 0.00 0.00 46.19 41.91 2ysm s LEU 70 CO 0.53 -2.00 0.79 -0.69 0.23 0.00 0.00 176.35 175.21 2ysm s VAL 71 N 7.87 4.62 0.89 -1.59 1.01 -1.26 -2.03 120.40 129.91 2ysm s VAL 71 Ca 0.75 0.22 -0.12 0.00 0.00 0.00 0.00 61.98 62.83 2ysm s VAL 71 Cb -0.18 -4.37 0.10 0.00 0.00 0.00 0.00 36.38 31.93 2ysm s VAL 71 CO 0.28 -0.84 0.99 0.00 0.00 0.00 0.00 175.10 175.54 2ysm n ASP 73 N -3.29 2.26 0.18 0.00 2.03 -1.26 -3.44 116.55 113.02 2ysm n ASP 73 Ca 0.11 -0.11 -0.07 0.00 0.52 0.00 0.00 54.79 55.24 2ysm n ASP 73 Cb 0.52 -0.36 -0.03 0.00 -0.72 0.00 0.00 41.12 40.52 2ysm n ASP 73 CO 0.00 0.00 0.00 0.74 -1.92 0.00 0.00 177.20 176.02 2ysm h THR 74 N -0.03 0.00 0.14 5.18 2.02 -1.94 -3.38 112.91 114.91 2ysm h THR 74 Ca -0.50 -0.11 -0.31 0.00 0.77 0.00 0.00 66.41 66.26 2ysm h THR 74 Cb 1.76 0.00 0.00 0.00 -1.74 0.00 0.00 68.15 68.17 2ysm h THR 74 CO -0.09 0.00 -1.58 0.00 0.37 0.00 0.00 175.52 174.23 2ysm n ASP 76 N -3.77 -2.04 0.00 0.00 2.03 -1.22 -4.49 116.55 107.05 2ysm n ASP 76 Ca -0.25 -0.23 0.00 0.00 0.52 0.00 0.00 54.79 54.83 2ysm n ASP 76 Cb 0.98 -2.20 0.00 0.00 -0.72 0.00 0.00 41.12 39.18 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 -2.15 0.00 0.00 -0.67 4.76 -1.26 -4.85 118.16 113.99 2ysm n LYS 77 Ca -0.10 0.28 0.00 0.00 -2.87 0.00 0.00 58.31 55.62 2ysm n LYS 77 Cb 0.56 -0.76 0.00 0.00 -1.84 0.00 0.00 35.03 32.99 2ysm n LYS 77 CO 0.00 0.00 0.00 0.41 -1.37 0.00 0.00 177.40 176.44 2ysm n GLY 78 N 1.91 3.06 3.08 0.72 0.00 -1.26 -4.57 105.19 108.13 2ysm n GLY 78 Ca 0.00 -0.86 -0.12 0.00 0.00 0.00 0.00 46.02 45.04 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 -0.32 0.37 1.61 2.02 -0.86 -3.92 117.35 116.24 2ysm s TYR 79 Ca 0.00 0.76 -0.26 0.00 -0.37 0.00 0.00 57.07 57.20 2ysm s TYR 79 Cb 0.00 0.06 -0.09 0.00 -0.40 0.00 0.00 41.96 41.54 2ysm s TYR 79 CO 0.00 -0.21 1.11 -1.01 -1.57 0.00 0.00 175.55 173.87 2ysm s HIS 80 N 0.96 3.27 0.17 2.71 3.76 -1.26 -0.50 115.29 124.39 2ysm s HIS 80 Ca -0.07 1.62 -0.19 0.00 -0.15 0.00 0.00 55.06 56.28 2ysm s HIS 80 Cb -0.08 -3.27 0.10 0.00 1.11 0.00 0.00 32.58 30.43 2ysm s HIS 80 CO -0.06 -0.88 1.64 1.79 -0.85 0.00 0.00 174.74 176.38 2ysm h THR 81 N 2.48 0.45 0.00 1.30 1.35 -1.87 0.39 112.91 117.02 2ysm h THR 81 Ca -0.48 0.00 0.00 0.00 -0.55 0.00 0.00 66.41 65.38 2ysm h THR 81 Cb 1.22 0.45 0.00 0.00 -1.73 0.00 0.00 68.15 68.10 2ysm h THR 81 CO 0.64 0.00 0.00 2.19 -0.25 0.00 0.00 175.52 178.10 2ysm h PHE 82 N -0.10 0.00 -0.48 4.73 -5.15 -1.92 -1.58 116.94 112.44 2ysm h PHE 82 Ca 0.20 0.00 0.00 0.00 -0.20 0.00 0.00 57.97 57.97 2ysm h PHE 82 Cb 0.40 0.00 0.00 0.00 0.22 0.00 0.00 35.95 36.57 2ysm h PHE 82 CO -0.42 0.00 0.00 0.00 -2.00 0.00 0.00 178.31 175.89 2ysm s LEU 84 N -2.06 3.07 -0.28 0.00 1.43 -0.71 -4.71 118.68 115.43 2ysm s LEU 84 Ca 0.43 -0.49 -0.00 0.00 -1.03 0.00 0.00 54.13 53.04 2ysm s LEU 84 Cb 0.32 -1.77 0.08 0.00 0.03 0.00 0.00 46.19 44.85 2ysm s LEU 84 CO 0.15 0.11 0.05 0.00 0.23 0.00 0.00 176.35 176.89 2ysm s GLN 85 N -2.73 1.00 1.23 1.70 -2.07 -1.26 -1.45 119.66 116.08 2ysm s GLN 85 Ca 0.25 -1.04 -0.20 0.00 -1.82 0.00 0.00 55.36 52.55 2ysm s GLN 85 Cb -0.09 -2.30 0.30 0.00 -1.09 0.00 0.00 33.01 29.83 2ysm s GLN 85 CO 0.16 -0.83 1.11 -1.25 -1.32 0.00 0.00 175.29 173.16 2ysm s PRO 86 N 1.52 -1.43 0.43 9.60 0.04 -1.26 -5.09 135.00 138.82 2ysm s PRO 86 Ca 0.04 -0.14 -0.11 0.00 0.04 0.00 0.00 61.00 60.84 2ysm s PRO 86 Cb -0.18 -1.58 -0.06 0.00 0.04 0.00 0.00 34.50 32.72 2ysm s PRO 86 CO -0.16 -3.83 0.81 0.08 0.04 0.00 0.00 177.00 173.94 2ysm s VAL 87 N -3.01 4.75 -1.03 -0.36 1.01 -0.53 -5.00 120.40 116.25 2ysm s VAL 87 Ca 0.72 0.69 -0.03 0.00 0.00 0.00 0.00 61.98 63.36 2ysm s VAL 87 Cb -0.09 -3.74 0.30 0.00 0.00 0.00 0.00 36.38 32.86 2ysm s VAL 87 CO 0.56 -0.59 1.43 0.23 0.00 0.00 0.00 175.10 176.74 2ysm n MET 88 N -1.44 4.36 -0.46 2.72 2.81 -0.68 -4.85 117.12 119.58 2ysm n MET 88 Ca 0.03 -4.58 0.39 0.00 -1.81 0.00 0.00 57.70 51.73 2ysm n MET 88 Cb 0.54 -2.48 0.61 0.00 -0.71 0.00 0.00 33.22 31.18 2ysm n MET 88 CO 0.00 0.00 0.00 1.17 1.51 0.00 0.00 175.97 178.65 2ysm n LYS 89 N 1.13 0.01 -4.49 0.03 3.00 -1.26 -4.40 118.16 112.18 2ysm n LYS 89 Ca 0.28 0.99 -0.24 0.00 -0.00 0.00 0.00 58.31 59.35 2ysm n LYS 89 Cb 0.33 -2.37 -0.09 0.00 0.00 0.00 0.00 35.03 32.90 2ysm n LYS 89 CO 0.00 0.00 0.00 -1.12 0.00 0.00 0.00 177.40 176.28 2ysm s SER 90 N -3.66 2.60 -0.13 3.14 0.01 -1.26 -5.09 113.70 109.31 2ysm s SER 90 Ca -0.04 -1.52 -0.03 0.00 1.31 0.00 0.00 55.95 55.67 2ysm s SER 90 Cb 0.20 0.20 -0.03 0.00 0.21 0.00 0.00 66.02 66.60 2ysm s SER 90 CO 0.66 -0.76 0.00 -0.69 0.41 0.00 0.00 173.24 172.86 2ysm s VAL 91 N -3.25 4.27 -0.20 3.43 1.01 -1.26 -5.04 120.40 119.36 2ysm s VAL 91 Ca 0.30 -0.24 -0.29 0.00 0.00 0.00 0.00 61.98 61.74 2ysm s VAL 91 Cb 0.06 -2.84 -0.03 0.00 0.00 0.00 0.00 36.38 33.57 2ysm s VAL 91 CO 0.14 0.54 1.59 -2.16 0.00 0.00 0.00 175.10 175.22 2ysm s PRO 92 N -0.26 3.87 0.19 2.72 0.04 -1.26 -4.89 135.00 135.40 2ysm s PRO 92 Ca 0.06 1.71 -0.08 0.00 0.04 0.00 0.00 61.00 62.73 2ysm s PRO 92 Cb -0.12 -4.01 0.27 0.00 0.04 0.00 0.00 34.50 30.68 2ysm s PRO 92 CO 0.02 -1.20 1.10 0.25 0.04 0.00 0.00 177.00 177.20 2ysm n THR 93 N 6.23 -0.32 -3.64 1.26 -2.24 -1.26 -4.72 114.28 109.59 2ysm n THR 93 Ca 0.18 1.62 -0.02 0.00 -2.27 0.00 0.00 64.05 63.56 2ysm n THR 93 Cb 0.45 -2.21 -0.01 0.00 -2.10 0.00 0.00 70.33 66.45 2ysm n THR 93 CO 0.00 0.00 0.00 0.20 -0.57 0.00 0.00 175.07 174.70 2ysm s ASN 94 N -5.21 -0.15 -0.85 3.42 -0.87 -1.26 -5.04 114.94 104.98 2ysm s ASN 94 Ca -0.10 -0.17 -0.05 0.00 -1.57 0.00 0.00 52.86 50.97 2ysm s ASN 94 Cb 0.17 0.28 -0.06 0.00 -0.02 0.00 0.00 41.25 41.63 2ysm s ASN 94 CO 0.53 -0.50 0.75 0.61 -2.57 0.00 0.00 177.10 175.92 2ysm n GLY 95 N -0.38 -0.78 3.74 0.66 0.00 -1.26 -5.03 105.19 102.13 2ysm n GLY 95 Ca -0.06 0.43 -0.30 0.00 0.00 0.00 0.00 46.02 46.08 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 -3.31 3.10 -0.06 1.61 -0.00 -1.26 -5.12 118.94 113.90 2ysm s TRP 96 Ca 0.37 0.03 -0.02 0.00 -0.00 0.00 0.00 56.10 56.48 2ysm s TRP 96 Cb -0.05 -1.58 0.04 0.00 -0.00 0.00 0.00 33.47 31.88 2ysm s TRP 96 CO 0.60 0.50 0.12 0.21 -0.00 0.00 0.00 176.95 178.38 2ysm s LYS 97 N -2.36 0.04 0.51 5.86 2.20 -1.26 -4.22 119.74 120.51 2ysm s LYS 97 Ca 0.28 0.36 -0.21 0.00 -0.36 0.00 0.00 55.97 56.05 2ysm s LYS 97 Cb -0.12 -0.23 -0.06 0.00 -1.51 0.00 0.00 37.83 35.90 2ysm s LYS 97 CO 0.20 -0.20 1.13 0.00 -0.36 0.00 0.00 175.35 176.12 2ysm h LYS 99 N 1.48 -0.12 -0.21 0.00 3.64 -1.98 0.53 116.57 119.91 2ysm h LYS 99 Ca -0.50 0.01 0.06 0.00 -1.27 0.00 0.00 60.65 58.95 2ysm h LYS 99 Cb 1.25 0.03 -0.01 0.00 -0.41 0.00 0.00 32.23 33.09 2ysm h LYS 99 CO 0.58 -0.08 0.64 -0.97 -2.27 0.00 0.00 179.45 177.36 2ysm h ASN 100 N -0.12 0.00 0.01 4.20 -0.73 -1.99 0.24 115.58 117.20 2ysm h ASN 100 Ca 0.22 0.00 -0.36 0.00 1.87 0.00 0.00 56.30 58.04 2ysm h ASN 100 Cb 0.47 0.00 -0.05 0.00 0.27 0.00 0.00 38.32 39.01 2ysm h ASN 100 CO -0.55 0.00 -1.98 0.00 -0.37 0.00 0.00 177.43 174.53 2ysm h ARG 102 N -0.78 0.13 -4.14 0.00 0.11 0.84 -3.43 114.38 107.11 2ysm h ARG 102 Ca -0.52 -0.01 -0.60 0.00 0.10 0.00 0.00 59.98 58.95 2ysm h ARG 102 Cb 1.57 -0.03 0.00 0.00 1.11 0.00 0.00 29.97 32.62 2ysm h ARG 102 CO -0.25 0.09 0.54 -0.89 0.10 0.00 0.00 179.97 179.56 2ysm n ILE 103 N -4.35 0.00 -2.91 0.08 2.08 -0.60 -4.79 119.36 108.87 2ysm n ILE 103 Ca 0.21 0.00 -0.44 0.00 0.56 0.00 0.00 62.75 63.08 2ysm n ILE 103 Cb 0.94 -0.35 -0.02 0.00 -0.75 0.00 0.00 39.64 39.47 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 2.41 4.58 0.75 0.00 2.07 -1.26 -5.09 121.20 124.65 2ysm s ILE 105 Ca 0.38 0.63 -0.01 0.00 -1.41 0.00 0.00 60.65 60.24 2ysm s ILE 105 Cb -0.04 -3.81 0.14 0.00 0.13 0.00 0.00 42.46 38.89 2ysm s ILE 105 CO -0.05 -0.99 1.03 -0.94 -1.91 0.00 0.00 174.94 172.07 2ysm s SER 106 N -4.19 4.19 0.03 4.50 1.04 -1.26 -5.13 113.70 112.89 2ysm s SER 106 Ca 0.53 -0.43 -0.19 0.00 0.48 0.00 0.00 55.95 56.34 2ysm s SER 106 Cb -0.11 0.13 0.04 0.00 0.10 0.00 0.00 66.02 66.18 2ysm s SER 106 CO 0.51 -1.98 0.43 -0.83 0.98 0.00 0.00 173.24 172.35 2ysm s GLY 107 N -4.79 -0.30 0.00 7.32 0.00 -1.26 -5.02 107.32 103.28 2ysm s GLY 107 Ca 0.68 0.39 0.14 0.00 0.00 0.00 0.00 44.72 45.93 2ysm s GLY 107 CO 0.45 0.13 1.43 -1.55 0.00 0.00 0.00 173.10 173.56 2ysm n PRO 108 N 0.58 0.11 -1.64 2.90 -0.04 -1.26 -4.77 135.00 130.88 2ysm n PRO 108 Ca -0.19 0.20 -0.44 0.00 -0.04 0.00 0.00 63.50 63.04 2ysm n PRO 108 Cb 0.59 -1.50 -0.03 0.00 -0.04 0.00 0.00 33.50 32.52 2ysm n PRO 108 CO 0.00 0.00 0.00 0.43 -0.04 0.00 0.00 175.50 175.89 2ysm n SER 109 N -1.39 3.74 0.36 3.54 7.64 -1.26 -4.89 113.62 121.36 2ysm n SER 109 Ca 0.05 0.69 -0.16 0.00 1.01 0.00 0.00 58.87 60.46 2ysm n SER 109 Cb 0.14 -1.50 -0.08 0.00 -1.01 0.00 0.00 64.21 61.75 2ysm n SER 109 CO 0.00 0.00 0.00 0.28 -3.01 0.00 0.00 175.04 172.31 2ysm h SER 110 N 11.77 -0.77 -0.00 6.43 0.02 -2.07 -3.55 113.55 125.39 2ysm h SER 110 Ca -0.46 -0.01 0.00 0.00 -0.84 0.00 0.00 61.79 60.48 2ysm h SER 110 Cb 1.25 0.20 0.00 0.00 0.14 0.00 0.00 62.40 63.99 2ysm h SER 110 CO 0.95 -0.45 0.00 0.61 -1.14 0.00 0.00 176.83 176.80