#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2ysm n SER 2 N 0.00 -1.35 0.01 1.61 3.41 -1.26 -4.81 113.62 111.23 2ysm n SER 2 Ca 0.00 -1.25 -0.13 0.00 -0.26 0.00 0.00 58.87 57.23 2ysm n SER 2 Cb 0.00 -1.59 -0.09 0.00 -0.26 0.00 0.00 64.21 62.26 2ysm n SER 2 CO 0.00 0.00 0.00 0.77 -0.16 0.00 0.00 175.04 175.65 2ysm h SER 3 N -1.02 -0.03 -2.22 4.04 4.64 -2.13 -3.41 113.55 113.41 2ysm h SER 3 Ca -0.61 -0.42 -0.52 0.00 -0.47 0.00 0.00 61.79 59.77 2ysm h SER 3 Cb 1.39 0.01 -0.03 0.00 -0.31 0.00 0.00 62.40 63.46 2ysm h SER 3 CO 0.86 0.41 1.33 -0.83 -0.87 0.00 0.00 176.83 177.73 2ysm s GLY 4 N -3.07 0.38 0.56 -0.77 0.00 -1.26 -4.97 107.32 98.19 2ysm s GLY 4 Ca -0.15 -0.32 -0.16 0.00 0.00 0.00 0.00 44.72 44.08 2ysm s GLY 4 CO 0.65 3.39 1.03 -1.35 0.00 0.00 0.00 173.10 176.83 2ysm s SER 5 N 7.55 6.08 0.19 1.64 1.04 -1.26 -4.95 113.70 123.97 2ysm s SER 5 Ca 0.72 1.75 -0.33 0.00 0.48 0.00 0.00 55.95 58.58 2ysm s SER 5 Cb -0.16 -2.53 -0.15 0.00 0.10 0.00 0.00 66.02 63.29 2ysm s SER 5 CO 0.25 -0.96 1.33 -1.20 0.98 0.00 0.00 173.24 173.64 2ysm n SER 6 N -1.81 2.12 0.00 7.02 7.64 -1.26 -4.98 113.62 122.36 2ysm n SER 6 Ca 0.08 1.13 0.00 0.00 1.01 0.00 0.00 58.87 61.09 2ysm n SER 6 Cb 0.53 -1.32 0.00 0.00 -1.01 0.00 0.00 64.21 62.41 2ysm n SER 6 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 2ysm n GLY 7 N 2.30 0.42 3.55 0.23 0.00 -1.26 -4.94 105.19 105.48 2ysm n GLY 7 Ca 0.14 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 45.77 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 -3.01 2.42 0.41 4.61 0.00 -1.26 -4.98 121.76 119.95 2ysm s ALA 8 Ca 0.00 -0.99 0.08 0.00 0.00 0.00 0.00 51.96 51.05 2ysm s ALA 8 Cb 0.00 -4.29 -0.02 0.00 0.00 0.00 0.00 23.12 18.81 2ysm s ALA 8 CO 0.00 -3.64 0.39 -0.80 0.00 0.00 0.00 175.76 171.71 2ysm s ASN 9 N 6.16 5.15 0.34 0.00 -0.87 -1.26 -4.87 114.94 119.59 2ysm s ASN 9 Ca 0.53 -0.68 -0.27 0.00 -1.57 0.00 0.00 52.86 50.87 2ysm s ASN 9 Cb -0.10 -0.62 -0.13 0.00 -0.02 0.00 0.00 41.25 40.38 2ysm s ASN 9 CO 0.18 -0.64 1.03 0.00 -2.57 0.00 0.00 177.10 175.10 2ysm n ALA 11 N -0.01 2.50 -0.03 0.00 0.00 -1.12 -2.19 120.51 119.66 2ysm n ALA 11 Ca 0.09 -0.62 -0.08 0.00 0.00 0.00 0.00 53.44 52.83 2ysm n ALA 11 Cb 0.35 -1.04 -0.03 0.00 0.00 0.00 0.00 19.45 18.73 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 0.58 0.98 -0.06 0.00 0.31 -1.26 -4.81 118.33 114.07 2ysm n VAL 12 Ca 0.17 0.07 -0.08 0.00 -0.01 0.00 0.00 64.34 64.48 2ysm n VAL 12 Cb 0.39 -1.78 -0.15 0.00 -0.91 0.00 0.00 33.84 31.39 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 -2.84 -2.36 -4.00 0.00 -0.08 -0.93 -5.01 116.55 101.33 2ysm n ASP 14 Ca -0.25 -0.17 -0.13 0.00 -1.51 0.00 0.00 54.79 52.73 2ysm n ASP 14 Cb 1.08 -1.81 -0.13 0.00 2.34 0.00 0.00 41.12 42.60 2ysm n ASP 14 CO 0.00 0.00 0.00 -0.44 0.12 0.00 0.00 177.20 176.88 2ysm s SER 15 N -3.30 0.59 0.06 1.67 0.01 -1.26 -4.81 113.70 106.66 2ysm s SER 15 Ca 0.05 -0.34 -0.18 0.00 1.31 0.00 0.00 55.95 56.79 2ysm s SER 15 Cb -0.02 0.01 -0.12 0.00 0.21 0.00 0.00 66.02 66.10 2ysm s SER 15 CO 0.21 -0.11 1.38 1.55 0.41 0.00 0.00 173.24 176.67 2ysm h PRO 16 N 5.18 0.50 0.00 12.44 0.13 -1.96 -3.17 132.00 145.11 2ysm h PRO 16 Ca -0.31 -0.26 0.00 0.00 -0.87 0.00 0.00 66.00 64.55 2ysm h PRO 16 Cb 1.20 0.01 0.00 0.00 0.13 0.00 0.00 31.00 32.34 2ysm h PRO 16 CO 0.45 0.84 0.00 0.41 -0.23 0.00 0.00 178.00 179.47 2ysm n GLY 17 N 0.18 1.34 3.56 1.56 0.00 -1.26 -4.22 105.19 106.35 2ysm n GLY 17 Ca -0.05 0.39 -0.32 0.00 0.00 0.00 0.00 46.02 46.04 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 -2.82 4.45 -0.22 1.61 1.01 -1.26 -5.04 116.67 114.40 2ysm s ASP 18 Ca 0.00 -0.19 -0.20 0.00 0.71 0.00 0.00 52.55 52.87 2ysm s ASP 18 Cb 0.00 -0.99 -0.18 0.00 1.01 0.00 0.00 42.92 42.76 2ysm s ASP 18 CO 0.00 0.28 0.10 0.18 0.21 0.00 0.00 175.17 175.94 2ysm n LEU 19 N 1.62 1.88 -0.11 1.23 7.99 -1.26 -4.05 117.00 124.31 2ysm n LEU 19 Ca -0.16 0.40 -0.06 0.00 -0.01 0.00 0.00 56.01 56.18 2ysm n LEU 19 Cb 0.52 -0.94 0.11 0.00 -0.11 0.00 0.00 43.42 43.01 2ysm n LEU 19 CO 0.30 0.34 0.80 -0.07 -1.51 0.00 0.00 177.39 177.24 2ysm h LEU 20 N -0.99 0.80 -0.51 2.23 3.38 -1.96 -3.04 115.31 115.22 2ysm h LEU 20 Ca -0.42 -0.24 0.09 0.00 0.09 0.00 0.00 57.88 57.40 2ysm h LEU 20 Cb 1.37 -0.22 -0.08 0.00 0.09 0.00 0.00 40.66 41.83 2ysm h LEU 20 CO -0.26 0.93 0.08 0.44 0.09 0.00 0.00 178.44 179.72 2ysm h ASP 21 N 0.74 -0.06 -3.60 -0.43 5.19 -1.99 -3.41 116.42 112.85 2ysm h ASP 21 Ca 0.13 0.10 -0.50 0.00 -0.62 0.00 0.00 57.03 56.14 2ysm h ASP 21 Cb 0.59 0.15 0.01 0.00 0.18 0.00 0.00 39.33 40.26 2ysm h ASP 21 CO 0.04 -0.00 0.08 0.00 -3.12 0.00 0.00 179.24 176.24 2ysm s GLN 22 N -6.14 3.71 0.81 3.56 -2.07 -1.15 -4.46 119.66 113.91 2ysm s GLN 22 Ca -0.13 0.35 -0.11 0.00 -1.82 0.00 0.00 55.36 53.64 2ysm s GLN 22 Cb 0.16 -2.42 0.10 0.00 -1.09 0.00 0.00 33.01 29.75 2ysm s GLN 22 CO 0.73 -0.04 1.16 -0.06 -1.32 0.00 0.00 175.29 175.76 2ysm s PHE 23 N -2.42 2.70 -0.08 9.60 0.40 -1.01 -4.85 117.98 122.33 2ysm s PHE 23 Ca 0.49 0.59 -0.02 0.00 -0.60 0.00 0.00 56.93 57.40 2ysm s PHE 23 Cb -0.10 -3.51 0.03 0.00 0.51 0.00 0.00 43.02 39.94 2ysm s PHE 23 CO 0.34 -1.83 0.01 0.12 0.70 0.00 0.00 175.22 174.56 2ysm s PHE 24 N -3.54 0.65 0.63 0.36 2.19 -1.26 -3.45 117.98 113.55 2ysm s PHE 24 Ca 0.64 -0.20 -0.17 0.00 0.33 0.00 0.00 56.93 57.53 2ysm s PHE 24 Cb -0.10 -0.80 -0.02 0.00 -1.31 0.00 0.00 43.02 40.80 2ysm s PHE 24 CO 0.49 -0.35 1.13 0.00 1.83 0.00 0.00 175.22 178.32 2ysm n THR 26 N -2.06 0.75 0.02 0.00 -2.24 -1.26 -3.46 114.28 106.03 2ysm n THR 26 Ca 0.11 -0.65 -0.02 0.00 -2.27 0.00 0.00 64.05 61.22 2ysm n THR 26 Cb 0.51 -0.28 -0.01 0.00 -2.10 0.00 0.00 70.33 68.45 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 0.06 4.28 2.02 -1.93 -3.41 112.91 113.92 2ysm h THR 27 Ca -0.30 -0.46 -0.27 0.00 0.77 0.00 0.00 66.41 66.15 2ysm h THR 27 Cb 1.64 0.00 -0.02 0.00 -1.74 0.00 0.00 68.15 68.03 2ysm h THR 27 CO 0.02 0.00 -1.44 0.00 0.37 0.00 0.00 175.52 174.47 2ysm n GLY 29 N 1.65 1.41 3.97 0.00 0.00 -1.22 -5.04 105.19 105.95 2ysm n GLY 29 Ca -0.30 -0.01 -0.21 0.00 0.00 0.00 0.00 46.02 45.50 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 -0.44 2.80 0.15 1.61 -1.52 -1.26 -4.74 119.66 116.25 2ysm s GLN 30 Ca 0.00 -0.70 0.10 0.00 -1.95 0.00 0.00 55.36 52.81 2ysm s GLN 30 Cb 0.00 -2.55 -0.04 0.00 -0.22 0.00 0.00 33.01 30.20 2ysm s GLN 30 CO 0.00 -0.47 -0.23 -1.01 -0.25 0.00 0.00 175.29 173.33 2ysm s HIS 31 N -2.63 2.06 -0.26 0.91 3.76 -1.26 -1.92 115.29 115.96 2ysm s HIS 31 Ca 0.53 -0.40 -0.11 0.00 -0.15 0.00 0.00 55.06 54.93 2ysm s HIS 31 Cb -0.10 -1.07 0.10 0.00 1.11 0.00 0.00 32.58 32.62 2ysm s HIS 31 CO 0.38 0.35 0.58 0.71 -0.85 0.00 0.00 174.74 175.90 2ysm s TYR 32 N -1.48 -1.06 0.42 1.40 1.51 -1.22 -2.78 117.35 114.14 2ysm s TYR 32 Ca 0.14 1.97 -0.24 0.00 -1.01 0.00 0.00 57.07 57.94 2ysm s TYR 32 Cb -0.08 0.59 -0.08 0.00 -0.11 0.00 0.00 41.96 42.27 2ysm s TYR 32 CO 0.07 -0.55 1.10 -1.01 -1.11 0.00 0.00 175.55 174.04 2ysm s HIS 33 N 2.32 3.12 0.41 2.71 3.76 -1.26 -2.39 115.29 123.95 2ysm s HIS 33 Ca -0.07 1.60 0.32 0.00 -0.15 0.00 0.00 55.06 56.77 2ysm s HIS 33 Cb -0.10 -3.23 1.75 0.00 1.11 0.00 0.00 32.58 32.11 2ysm s HIS 33 CO -0.17 -0.97 1.97 0.78 -0.85 0.00 0.00 174.74 175.50 2ysm h GLY 34 N 2.34 0.00 0.39 -2.22 0.00 -1.82 -1.68 103.07 100.08 2ysm h GLY 34 Ca -0.49 0.00 -0.33 0.00 0.00 0.00 0.00 47.33 46.51 2ysm h GLY 34 CO 0.62 0.00 -1.81 1.03 0.00 0.00 0.00 176.54 176.37 2ysm n MET 35 N -2.73 0.69 0.28 4.80 2.81 -1.26 0.93 117.12 122.65 2ysm n MET 35 Ca -0.02 0.35 0.13 0.00 -1.81 0.00 0.00 57.70 56.36 2ysm n MET 35 Cb 0.18 -1.71 0.84 0.00 -0.71 0.00 0.00 33.22 31.82 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 -3.91 1.40 -3.62 0.00 4.77 -0.82 -4.98 117.00 109.84 2ysm n LEU 37 Ca -0.03 -0.86 -0.24 0.00 -0.03 0.00 0.00 56.01 54.86 2ysm n LEU 37 Cb 0.12 0.00 0.07 0.00 -2.33 0.00 0.00 43.42 41.28 2ysm n LEU 37 CO 0.29 0.28 0.19 0.47 -1.33 0.00 0.00 177.39 177.29 2ysm n ASP 38 N 0.04 -5.21 -4.79 -1.43 8.00 -0.63 -4.99 116.55 107.55 2ysm n ASP 38 Ca 0.04 -0.60 -0.34 0.00 0.71 0.00 0.00 54.79 54.60 2ysm n ASP 38 Cb 0.21 -4.85 -0.07 0.00 -0.02 0.00 0.00 41.12 36.39 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 -3.34 4.84 -0.73 0.53 1.01 0.26 -4.98 121.20 118.79 2ysm s ILE 39 Ca 0.48 -0.22 -0.24 0.00 0.00 0.00 0.00 60.65 60.67 2ysm s ILE 39 Cb -0.22 -3.15 0.06 0.00 0.01 0.00 0.00 42.46 39.16 2ysm s ILE 39 CO 0.75 0.47 1.13 0.00 0.00 0.00 0.00 174.94 177.29 2ysm s ALA 40 N -1.09 2.95 -0.28 9.38 0.00 -1.26 -4.59 121.76 126.88 2ysm s ALA 40 Ca 0.19 -1.74 -0.37 0.00 0.00 0.00 0.00 51.96 50.04 2ysm s ALA 40 Cb -0.12 -4.08 -0.13 0.00 0.00 0.00 0.00 23.12 18.79 2ysm s ALA 40 CO 0.09 -3.05 1.97 0.28 0.00 0.00 0.00 175.76 175.05 2ysm n VAL 41 N 6.15 0.31 -4.23 0.00 0.31 -1.26 -4.95 118.33 114.66 2ysm n VAL 41 Ca 0.03 -0.15 -0.20 0.00 -0.01 0.00 0.00 64.34 64.01 2ysm n VAL 41 Cb 0.47 -1.52 -0.12 0.00 -0.91 0.00 0.00 33.84 31.77 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 5.30 1.37 -1.39 2.52 -4.23 -1.26 -5.02 115.64 112.93 2ysm s THR 42 Ca 1.02 -1.52 0.15 0.00 -1.18 0.00 0.00 61.69 60.16 2ysm s THR 42 Cb -0.92 -1.38 0.24 0.00 1.34 0.00 0.00 72.50 71.79 2ysm s THR 42 CO 0.56 -0.24 1.41 -0.81 -0.54 0.00 0.00 174.62 175.00 2ysm n PRO 43 N 0.95 0.19 -0.12 3.99 -0.04 -1.26 -2.47 135.00 136.24 2ysm n PRO 43 Ca -0.19 0.16 -0.25 0.00 -0.04 0.00 0.00 63.50 63.18 2ysm n PRO 43 Cb 0.55 -1.50 -0.09 0.00 -0.04 0.00 0.00 33.50 32.42 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 -1.30 1.75 -0.36 1.53 7.94 -1.26 -4.55 117.00 120.75 2ysm n LEU 44 Ca 0.07 0.27 0.01 0.00 -1.11 0.00 0.00 56.01 55.25 2ysm n LEU 44 Cb 0.12 -0.70 0.16 0.00 0.53 0.00 0.00 43.42 43.52 2ysm n LEU 44 CO 0.11 0.52 1.25 0.50 -1.11 0.00 0.00 177.39 178.66 2ysm h LYS 45 N -0.80 1.12 -0.79 1.96 3.64 -1.70 -2.48 116.57 117.52 2ysm h LYS 45 Ca -0.60 -0.07 0.17 0.00 -1.27 0.00 0.00 60.65 58.88 2ysm h LYS 45 Cb 1.54 -0.25 -0.15 0.00 -0.41 0.00 0.00 32.23 32.96 2ysm h LYS 45 CO -0.35 0.74 -0.13 0.00 -2.27 0.00 0.00 179.45 177.45 2ysm h ARG 46 N 1.16 0.03 -6.74 1.90 3.08 -1.72 -3.34 114.38 108.74 2ysm h ARG 46 Ca 0.41 -0.00 -0.52 0.00 0.07 0.00 0.00 59.98 59.94 2ysm h ARG 46 Cb 0.12 -0.01 0.03 0.00 0.08 0.00 0.00 29.97 30.19 2ysm h ARG 46 CO -0.16 0.02 0.60 0.00 -1.07 0.00 0.00 179.97 179.36 2ysm s ALA 47 N -6.19 3.48 -1.29 0.04 0.00 -0.93 -3.45 121.76 113.41 2ysm s ALA 47 Ca -0.14 1.08 -0.01 0.00 0.00 0.00 0.00 51.96 52.89 2ysm s ALA 47 Cb 0.23 -3.44 -0.00 0.00 0.00 0.00 0.00 23.12 19.91 2ysm s ALA 47 CO 0.76 -0.46 0.71 0.41 0.00 0.00 0.00 175.76 177.17 2ysm n GLY 48 N 1.77 -0.33 3.85 0.00 0.00 -1.26 -4.97 105.19 104.25 2ysm n GLY 48 Ca 0.03 0.14 -0.36 0.00 0.00 0.00 0.00 46.02 45.84 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 -3.66 3.65 -0.05 1.61 -0.00 -1.22 -5.04 118.94 114.23 2ysm s TRP 49 Ca 0.03 0.97 -0.01 0.00 -0.00 0.00 0.00 56.10 57.09 2ysm s TRP 49 Cb -0.01 -2.29 0.03 0.00 -0.00 0.00 0.00 33.47 31.20 2ysm s TRP 49 CO 0.81 0.53 0.01 -0.65 -0.00 0.00 0.00 176.95 177.65 2ysm s GLN 50 N -1.65 0.40 0.84 5.86 -0.21 -1.26 -4.20 119.66 119.44 2ysm s GLN 50 Ca 0.32 0.14 -0.13 0.00 0.02 0.00 0.00 55.36 55.71 2ysm s GLN 50 Cb -0.15 -0.74 0.06 0.00 1.00 0.00 0.00 33.01 33.17 2ysm s GLN 50 CO 0.17 -0.25 0.89 0.00 -2.12 0.00 0.00 175.29 173.98 2ysm n PRO 52 N -2.61 0.14 0.01 0.00 -0.04 -1.26 0.34 135.00 131.58 2ysm n PRO 52 Ca 0.11 0.38 0.12 0.00 -0.04 0.00 0.00 63.50 64.08 2ysm n PRO 52 Cb 0.51 -1.78 0.31 0.00 -0.04 0.00 0.00 33.50 32.50 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 -2.05 0.06 0.01 0.54 1.02 -1.26 -4.46 120.64 114.50 2ysm n GLU 53 Ca 0.02 0.02 0.00 0.00 -0.02 0.00 0.00 57.16 57.18 2ysm n GLU 53 Cb 0.21 -1.54 0.00 0.00 -0.02 0.00 0.00 31.44 30.09 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 -2.99 0.00 -4.02 0.00 2.85 0.15 -4.98 118.16 109.18 2ysm n LYS 55 Ca 0.00 0.00 -0.10 0.00 -1.05 0.00 0.00 58.31 57.16 2ysm n LYS 55 Cb 0.39 -0.60 -0.08 0.00 -0.65 0.00 0.00 35.03 34.10 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 -1.06 0.06 0.33 0.58 -7.23 -1.26 -4.95 120.40 106.86 2ysm s VAL 56 Ca 0.35 -1.54 -0.29 0.00 -1.81 0.00 0.00 61.98 58.69 2ysm s VAL 56 Cb -0.36 -1.99 -0.12 0.00 0.56 0.00 0.00 36.38 34.48 2ysm s VAL 56 CO 0.38 -0.26 1.37 0.00 -0.31 0.00 0.00 175.10 176.28 2ysm n GLN 58 N 0.93 0.38 -0.07 0.00 1.13 -1.21 -1.91 117.38 116.64 2ysm n GLN 58 Ca 0.06 0.05 -0.10 0.00 -1.94 0.00 0.00 57.00 55.06 2ysm n GLN 58 Cb 0.36 -1.68 -0.09 0.00 0.11 0.00 0.00 30.24 28.94 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 0.00 -0.69 1.08 2.35 -1.90 -3.36 115.58 113.06 2ysm h ASN 59 Ca 0.00 -0.65 0.00 0.00 -0.55 0.00 0.00 56.30 55.10 2ysm h ASN 59 Cb 0.81 0.00 0.00 0.00 0.05 0.00 0.00 38.32 39.18 2ysm h ASN 59 CO 0.00 0.88 0.00 0.00 -1.65 0.00 0.00 177.43 176.66 2ysm n LYS 61 N 1.48 -2.30 -4.37 0.00 4.76 -0.80 -4.87 118.16 112.06 2ysm n LYS 61 Ca 0.23 0.15 -0.20 0.00 -2.87 0.00 0.00 58.31 55.62 2ysm n LYS 61 Cb 0.62 -4.72 -0.09 0.00 -1.84 0.00 0.00 35.03 29.00 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 -5.89 1.66 -0.02 1.97 -0.21 -1.18 -4.87 119.66 111.12 2ysm s GLN 62 Ca 0.33 -1.96 -0.01 0.00 0.02 0.00 0.00 55.36 53.75 2ysm s GLN 62 Cb -0.19 -0.21 0.02 0.00 1.00 0.00 0.00 33.01 33.62 2ysm s GLN 62 CO 0.41 -0.45 0.04 0.45 -2.12 0.00 0.00 175.29 173.63 2ysm s SER 63 N -3.42 -0.01 0.00 5.90 0.15 -1.26 0.14 113.70 115.20 2ysm s SER 63 Ca 0.34 0.08 0.00 0.00 0.70 0.00 0.00 55.95 57.07 2ysm s SER 63 Cb 0.05 0.03 0.00 0.00 -1.71 0.00 0.00 66.02 64.39 2ysm s SER 63 CO 0.17 -0.06 0.00 0.61 1.20 0.00 0.00 173.24 175.16 2ysm n GLY 64 N 3.55 -0.55 3.55 9.45 0.00 -1.26 -5.05 105.19 114.88 2ysm n GLY 64 Ca -0.19 0.43 -0.36 0.00 0.00 0.00 0.00 46.02 45.91 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 0.32 2.27 -0.03 1.61 0.41 -1.26 -4.82 118.70 117.20 2ysm s GLU 65 Ca 0.00 1.03 -0.24 0.00 -0.41 0.00 0.00 54.97 55.35 2ysm s GLU 65 Cb 0.00 -4.54 -0.18 0.00 -1.78 0.00 0.00 34.13 27.63 2ysm s GLU 65 CO 0.00 -3.16 1.14 -0.44 -0.49 0.00 0.00 175.26 172.31 2ysm h ASP 66 N 17.43 -0.13 -0.28 -0.19 3.32 -1.97 -0.08 116.42 134.52 2ysm h ASP 66 Ca -0.23 -0.39 0.07 0.00 0.02 0.00 0.00 57.03 56.50 2ysm h ASP 66 Cb 1.21 0.03 -0.08 0.00 0.22 0.00 0.00 39.33 40.72 2ysm h ASP 66 CO 1.18 0.36 -0.25 -1.28 -1.72 0.00 0.00 179.24 177.52 2ysm h SER 67 N -0.66 -0.82 -0.63 6.45 0.87 -2.05 -1.68 113.55 115.04 2ysm h SER 67 Ca -0.02 0.15 -0.09 0.00 -1.23 0.00 0.00 61.79 60.61 2ysm h SER 67 Cb 0.51 0.39 -0.02 0.00 -0.44 0.00 0.00 62.40 62.84 2ysm h SER 67 CO 0.03 -0.28 0.05 0.11 -0.53 0.00 0.00 176.83 176.20 2ysm h LYS 68 N -0.24 1.08 -6.17 2.24 1.57 -1.97 -3.44 116.57 109.64 2ysm h LYS 68 Ca 0.15 -0.32 -0.73 0.00 -1.87 0.00 0.00 60.65 57.88 2ysm h LYS 68 Cb 0.47 -0.11 0.04 0.00 0.08 0.00 0.00 32.23 32.72 2ysm h LYS 68 CO -0.42 1.02 0.43 -0.12 -0.57 0.00 0.00 179.45 179.80 2ysm n MET 69 N -4.21 0.79 -3.22 3.15 1.56 -0.04 -4.41 117.12 110.74 2ysm n MET 69 Ca 0.03 0.29 -0.39 0.00 -0.27 0.00 0.00 57.70 57.37 2ysm n MET 69 Cb 0.32 -1.89 -0.06 0.00 2.15 0.00 0.00 33.22 33.75 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 4.31 -0.32 -0.89 1.43 0.16 -4.91 118.68 119.39 2ysm s LEU 70 Ca 0.89 0.98 -0.07 0.00 -1.03 0.00 0.00 54.13 54.90 2ysm s LEU 70 Cb -1.08 -2.84 0.03 0.00 0.03 0.00 0.00 46.19 42.32 2ysm s LEU 70 CO 0.54 -0.02 0.10 -0.69 0.23 0.00 0.00 176.35 176.51 2ysm s VAL 71 N 0.56 3.89 0.98 -1.59 1.01 -1.26 -0.53 120.40 123.46 2ysm s VAL 71 Ca 0.30 -0.92 -0.12 0.00 0.00 0.00 0.00 61.98 61.24 2ysm s VAL 71 Cb -0.16 -3.11 0.11 0.00 0.00 0.00 0.00 36.38 33.21 2ysm s VAL 71 CO 0.14 -0.06 0.70 0.00 0.00 0.00 0.00 175.10 175.87 2ysm n ASP 73 N -2.80 1.11 -0.06 0.00 5.68 -1.18 -3.20 116.55 116.10 2ysm n ASP 73 Ca 0.08 -0.01 -0.04 0.00 -0.50 0.00 0.00 54.79 54.32 2ysm n ASP 73 Cb 0.54 0.80 -0.03 0.00 -1.14 0.00 0.00 41.12 41.29 2ysm n ASP 73 CO 0.00 0.00 0.00 0.74 -1.33 0.00 0.00 177.20 176.61 2ysm h THR 74 N 0.00 0.30 0.00 2.12 2.02 -1.93 -3.40 112.91 112.01 2ysm h THR 74 Ca -0.44 -1.24 0.00 0.00 0.77 0.00 0.00 66.41 65.49 2ysm h THR 74 Cb 1.98 0.58 0.00 0.00 -1.74 0.00 0.00 68.15 68.97 2ysm h THR 74 CO 0.02 0.10 -1.28 0.00 0.37 0.00 0.00 175.52 174.73 2ysm n ASP 76 N -1.72 0.66 0.00 0.00 9.92 -1.19 -4.88 116.55 119.34 2ysm n ASP 76 Ca 0.01 -1.28 -0.00 0.00 -0.53 0.00 0.00 54.79 52.99 2ysm n ASP 76 Cb 0.39 -1.62 -0.00 0.00 -0.64 0.00 0.00 41.12 39.24 2ysm n ASP 76 CO 0.00 0.00 0.00 0.11 0.13 0.00 0.00 177.20 177.44 2ysm h LYS 77 N -1.84 -0.02 0.00 -1.24 1.57 -1.91 -3.44 116.57 109.69 2ysm h LYS 77 Ca -0.66 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.12 2ysm h LYS 77 Cb 1.40 0.01 0.00 0.00 0.08 0.00 0.00 32.23 33.72 2ysm h LYS 77 CO 0.70 -0.02 0.00 0.41 -0.57 0.00 0.00 179.45 179.97 2ysm n GLY 78 N 1.69 3.57 3.10 3.86 0.00 -1.26 -4.59 105.19 111.55 2ysm n GLY 78 Ca -0.00 -0.81 -0.12 0.00 0.00 0.00 0.00 46.02 45.08 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 -0.33 1.02 1.61 1.51 0.31 -3.29 117.35 118.19 2ysm s TYR 79 Ca 0.00 0.78 -0.12 0.00 -1.01 0.00 0.00 57.07 56.72 2ysm s TYR 79 Cb 0.00 0.08 0.20 0.00 -0.11 0.00 0.00 41.96 42.13 2ysm s TYR 79 CO 0.00 -0.20 1.08 -1.01 -1.11 0.00 0.00 175.55 174.31 2ysm s HIS 80 N 0.84 1.95 -0.20 2.71 3.76 -1.26 0.36 115.29 123.45 2ysm s HIS 80 Ca -0.06 1.08 0.21 0.00 -0.15 0.00 0.00 55.06 56.14 2ysm s HIS 80 Cb -0.07 -3.21 -0.05 0.00 1.11 0.00 0.00 32.58 30.36 2ysm s HIS 80 CO -0.05 -3.06 0.97 0.25 -0.85 0.00 0.00 174.74 172.00 2ysm n THR 81 N -4.32 0.82 -0.85 1.30 -2.24 -1.26 -3.89 114.28 103.83 2ysm n THR 81 Ca 0.05 -0.60 0.08 0.00 -2.27 0.00 0.00 64.05 61.31 2ysm n THR 81 Cb 0.56 -0.48 0.31 0.00 -2.10 0.00 0.00 70.33 68.62 2ysm n THR 81 CO 0.00 0.00 0.00 2.22 -0.57 0.00 0.00 175.07 176.72 2ysm n PHE 82 N -2.75 1.30 0.06 4.78 -1.74 -1.26 0.84 117.46 118.69 2ysm n PHE 82 Ca -0.03 -0.77 0.02 0.00 -0.56 0.00 0.00 57.45 56.10 2ysm n PHE 82 Cb 0.65 -0.34 -0.02 0.00 1.52 0.00 0.00 39.48 41.28 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 -2.83 3.36 -0.29 0.00 1.43 -1.26 -4.94 118.68 114.15 2ysm s LEU 84 Ca -0.00 1.56 0.00 0.00 -1.03 0.00 0.00 54.13 54.66 2ysm s LEU 84 Cb 0.02 -4.50 0.09 0.00 0.03 0.00 0.00 46.19 41.84 2ysm s LEU 84 CO 0.15 -0.95 0.06 -1.58 0.23 0.00 0.00 176.35 174.26 2ysm s GLN 85 N -4.68 0.98 1.10 1.70 0.74 -1.26 -0.72 119.66 117.51 2ysm s GLN 85 Ca 0.58 -1.15 -0.16 0.00 0.05 0.00 0.00 55.36 54.68 2ysm s GLN 85 Cb -0.12 -2.31 0.24 0.00 1.10 0.00 0.00 33.01 31.92 2ysm s GLN 85 CO 0.45 -0.89 1.10 -1.25 -0.55 0.00 0.00 175.29 174.15 2ysm s PRO 86 N 1.48 -0.41 0.28 1.67 0.04 -1.26 -5.14 135.00 131.66 2ysm s PRO 86 Ca 0.07 0.22 -0.13 0.00 0.04 0.00 0.00 61.00 61.20 2ysm s PRO 86 Cb -0.18 -1.66 -0.08 0.00 0.04 0.00 0.00 34.50 32.61 2ysm s PRO 86 CO -0.18 -3.23 0.66 0.14 0.04 0.00 0.00 177.00 174.43 2ysm s VAL 87 N -2.99 4.78 -1.17 -0.36 -7.23 0.10 -4.97 120.40 108.56 2ysm s VAL 87 Ca 0.68 0.77 -0.10 0.00 -1.81 0.00 0.00 61.98 61.52 2ysm s VAL 87 Cb -0.14 -3.62 0.23 0.00 0.56 0.00 0.00 36.38 33.41 2ysm s VAL 87 CO 0.57 -0.13 1.35 0.23 -0.31 0.00 0.00 175.10 176.81 2ysm n MET 88 N -0.25 3.58 -0.24 4.82 2.81 0.25 -4.88 117.12 123.20 2ysm n MET 88 Ca 0.02 -4.15 0.06 0.00 -1.81 0.00 0.00 57.70 51.83 2ysm n MET 88 Cb 0.53 -2.77 0.13 0.00 -0.71 0.00 0.00 33.22 30.39 2ysm n MET 88 CO 0.00 0.00 0.00 1.63 1.51 0.00 0.00 175.97 179.11 2ysm n LYS 89 N 3.81 -0.06 -4.42 0.03 4.01 -1.26 -4.45 118.16 115.83 2ysm n LYS 89 Ca 0.31 1.05 -0.29 0.00 -0.51 0.00 0.00 58.31 58.87 2ysm n LYS 89 Cb 0.40 -1.60 -0.07 0.00 -0.51 0.00 0.00 35.03 33.25 2ysm n LYS 89 CO 0.00 0.00 0.00 -1.12 -1.11 0.00 0.00 177.40 175.17 2ysm s SER 90 N -5.12 4.23 -0.08 4.39 0.01 -1.26 -4.99 113.70 110.89 2ysm s SER 90 Ca -0.10 -1.37 0.00 0.00 1.31 0.00 0.00 55.95 55.79 2ysm s SER 90 Cb 0.19 0.03 -0.03 0.00 0.21 0.00 0.00 66.02 66.42 2ysm s SER 90 CO 0.53 -0.72 -0.06 -0.69 0.41 0.00 0.00 173.24 172.71 2ysm s VAL 91 N -2.75 3.82 0.49 3.43 1.01 -1.26 -5.04 120.40 120.09 2ysm s VAL 91 Ca 0.26 -0.43 -0.22 0.00 0.00 0.00 0.00 61.98 61.59 2ysm s VAL 91 Cb 0.03 -2.57 -0.07 0.00 0.00 0.00 0.00 36.38 33.77 2ysm s VAL 91 CO 0.14 0.59 1.15 -2.16 0.00 0.00 0.00 175.10 174.83 2ysm s PRO 92 N -0.74 3.63 0.11 2.72 0.04 -1.26 -4.95 135.00 134.54 2ysm s PRO 92 Ca 0.11 1.72 -0.21 0.00 0.04 0.00 0.00 61.00 62.66 2ysm s PRO 92 Cb -0.11 -2.27 -0.05 0.00 0.04 0.00 0.00 34.50 32.11 2ysm s PRO 92 CO 0.02 -0.65 1.36 1.15 0.04 0.00 0.00 177.00 178.92 2ysm h THR 93 N 1.65 0.00 -1.57 1.26 2.02 -2.07 -3.44 112.91 110.76 2ysm h THR 93 Ca -0.50 0.00 0.07 0.00 0.77 0.00 0.00 66.41 66.76 2ysm h THR 93 Cb 1.25 0.00 -0.25 0.00 -1.74 0.00 0.00 68.15 67.41 2ysm h THR 93 CO 0.59 0.00 0.50 0.21 0.37 0.00 0.00 175.52 177.19 2ysm s ASN 94 N -4.64 -0.41 0.00 4.18 3.84 -1.26 -5.06 114.94 111.59 2ysm s ASN 94 Ca -0.08 0.68 0.00 0.00 0.21 0.00 0.00 52.86 53.66 2ysm s ASN 94 Cb 0.07 0.64 0.00 0.00 -0.55 0.00 0.00 41.25 41.42 2ysm s ASN 94 CO 0.42 -0.22 0.00 0.61 -2.79 0.00 0.00 177.10 175.12 2ysm n GLY 95 N 1.65 0.56 3.55 1.21 0.00 -1.26 -5.10 105.19 105.79 2ysm n GLY 95 Ca -0.12 -0.59 -0.34 0.00 0.00 0.00 0.00 46.02 44.97 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 -2.30 3.02 -0.16 1.61 -0.00 -1.26 -5.08 118.94 114.77 2ysm s TRP 96 Ca 0.00 -0.13 -0.01 0.00 -0.00 0.00 0.00 56.10 55.96 2ysm s TRP 96 Cb 0.00 -1.86 -0.01 0.00 -0.00 0.00 0.00 33.47 31.60 2ysm s TRP 96 CO 0.00 0.15 -0.12 0.21 -0.00 0.00 0.00 176.95 177.18 2ysm s LYS 97 N -0.16 3.30 0.86 5.86 2.20 -1.26 -3.12 119.74 127.42 2ysm s LYS 97 Ca 0.03 -0.70 -0.11 0.00 -0.36 0.00 0.00 55.97 54.83 2ysm s LYS 97 Cb -0.13 -2.71 0.11 0.00 -1.51 0.00 0.00 37.83 33.59 2ysm s LYS 97 CO 0.02 0.02 1.09 0.00 -0.36 0.00 0.00 175.35 176.13 2ysm h LYS 99 N -1.42 0.95 -0.02 0.00 1.63 -1.99 0.62 116.57 116.34 2ysm h LYS 99 Ca -0.48 -0.24 0.01 0.00 -0.85 0.00 0.00 60.65 59.09 2ysm h LYS 99 Cb 1.27 -0.12 -0.00 0.00 -0.60 0.00 0.00 32.23 32.78 2ysm h LYS 99 CO 0.54 0.89 0.05 -0.91 -3.45 0.00 0.00 179.45 176.57 2ysm h ASN 100 N 0.86 0.00 0.04 4.20 4.21 -1.99 -1.83 115.58 121.07 2ysm h ASN 100 Ca 0.18 0.00 -0.37 0.00 1.21 0.00 0.00 56.30 57.32 2ysm h ASN 100 Cb 0.38 0.00 -0.05 0.00 -1.12 0.00 0.00 38.32 37.53 2ysm h ASN 100 CO 0.01 0.00 -2.16 0.00 -1.29 0.00 0.00 177.43 173.99 2ysm n ARG 102 N -3.66 0.11 -1.51 0.00 1.85 0.15 -4.77 116.66 108.83 2ysm n ARG 102 Ca -0.41 0.57 -0.45 0.00 -1.00 0.00 0.00 57.85 56.56 2ysm n ARG 102 Cb 0.95 -1.83 -0.01 0.00 -1.05 0.00 0.00 32.46 30.52 2ysm n ARG 102 CO 0.00 0.00 0.00 -0.89 -0.01 0.00 0.00 177.63 176.73 2ysm n ILE 103 N -2.06 1.95 -3.28 8.89 2.08 -0.73 -4.91 119.36 121.31 2ysm n ILE 103 Ca -0.00 -0.50 -0.42 0.00 0.56 0.00 0.00 62.75 62.38 2ysm n ILE 103 Cb 0.06 -0.62 -0.08 0.00 -0.75 0.00 0.00 39.64 38.24 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 2.29 1.55 -0.38 0.00 -4.36 -1.26 -4.76 121.20 114.29 2ysm s ILE 105 Ca 0.15 0.00 -0.35 0.00 -0.26 0.00 0.00 60.65 60.19 2ysm s ILE 105 Cb -0.16 -2.29 -0.15 0.00 1.25 0.00 0.00 42.46 41.11 2ysm s ILE 105 CO 0.14 0.00 1.34 -0.24 0.24 0.00 0.00 174.94 176.42 2ysm n SER 106 N -5.04 0.81 -4.56 4.36 2.88 -1.26 -4.91 113.62 105.90 2ysm n SER 106 Ca 0.11 0.78 -0.30 0.00 -1.33 0.00 0.00 58.87 58.13 2ysm n SER 106 Cb 0.59 -0.67 -0.10 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 2.97 1.77 0.00 0.46 0.00 -1.26 -5.00 107.32 106.26 2ysm s GLY 107 Ca 0.83 -1.25 0.15 0.00 0.00 0.00 0.00 44.72 44.45 2ysm s GLY 107 CO 0.58 -1.22 1.39 -1.55 0.00 0.00 0.00 173.10 172.31 2ysm n PRO 108 N 0.78 0.28 -1.72 2.90 -0.04 -1.26 -4.76 135.00 131.19 2ysm n PRO 108 Ca -0.14 0.11 -0.43 0.00 -0.04 0.00 0.00 63.50 63.00 2ysm n PRO 108 Cb 0.52 -1.50 -0.03 0.00 -0.04 0.00 0.00 33.50 32.45 2ysm n PRO 108 CO 0.00 0.00 0.00 0.45 -0.04 0.00 0.00 175.50 175.91 2ysm s SER 109 N -2.43 5.85 -0.33 3.54 0.15 -1.26 -4.86 113.70 114.35 2ysm s SER 109 Ca 0.16 2.00 0.08 0.00 0.70 0.00 0.00 55.95 58.90 2ysm s SER 109 Cb 0.10 -2.52 0.45 0.00 -1.71 0.00 0.00 66.02 62.34 2ysm s SER 109 CO 0.22 -1.63 1.15 -0.24 1.20 0.00 0.00 173.24 173.93 2ysm n SER 110 N 10.16 4.38 0.00 5.45 2.88 -1.26 -5.23 113.62 130.00 2ysm n SER 110 Ca 0.25 -3.53 0.00 0.00 -1.33 0.00 0.00 58.87 54.26 2ysm n SER 110 Cb 0.44 -0.40 0.00 0.00 -0.75 0.00 0.00 64.21 63.50 2ysm n SER 110 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42