#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 4.37 0.64 1.61 0.15 -1.26 -5.11 113.70 114.10 2ysm s SER 2 Ca 0.00 -0.56 0.02 0.00 0.70 0.00 0.00 55.95 56.11 2ysm s SER 2 Cb 0.00 -1.73 0.09 0.00 -1.71 0.00 0.00 66.02 62.67 2ysm s SER 2 CO 0.00 -0.07 0.89 -0.44 1.20 0.00 0.00 173.24 174.82 2ysm s SER 3 N 1.44 4.76 0.20 5.45 0.01 -1.26 -5.13 113.70 119.17 2ysm s SER 3 Ca 0.04 -0.35 -0.23 0.00 1.31 0.00 0.00 55.95 56.72 2ysm s SER 3 Cb -0.15 -0.22 0.05 0.00 0.21 0.00 0.00 66.02 65.91 2ysm s SER 3 CO -0.03 -1.55 0.73 -0.83 0.41 0.00 0.00 173.24 171.98 2ysm s GLY 4 N -4.63 -0.32 -1.68 3.44 0.00 -1.26 -4.95 107.32 97.93 2ysm s GLY 4 Ca 0.63 0.13 -0.14 0.00 0.00 0.00 0.00 44.72 45.34 2ysm s GLY 4 CO 0.41 0.04 0.54 -1.26 0.00 0.00 0.00 173.10 172.83 2ysm n SER 5 N -0.42 -1.65 -4.53 1.64 2.88 -1.26 -4.80 113.62 105.49 2ysm n SER 5 Ca -0.09 -1.12 -0.44 0.00 -1.33 0.00 0.00 58.87 55.89 2ysm n SER 5 Cb 0.61 -2.28 -0.01 0.00 -0.75 0.00 0.00 64.21 61.79 2ysm n SER 5 CO 0.00 0.00 0.00 -1.54 -1.23 0.00 0.00 175.04 172.27 2ysm n SER 6 N -2.70 0.36 -1.21 -3.46 3.41 -1.26 -4.99 113.62 103.77 2ysm n SER 6 Ca -0.05 1.08 0.00 0.00 -0.26 0.00 0.00 58.87 59.64 2ysm n SER 6 Cb 0.55 -1.21 0.00 0.00 -0.26 0.00 0.00 64.21 63.29 2ysm n SER 6 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 2ysm n GLY 7 N 1.47 1.47 3.26 5.00 0.00 -1.26 -5.02 105.19 110.11 2ysm n GLY 7 Ca 0.11 -1.74 -0.44 0.00 0.00 0.00 0.00 46.02 43.95 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 -3.38 3.84 0.22 4.61 0.00 -1.26 -5.06 121.76 120.73 2ysm s ALA 8 Ca 0.00 -3.12 0.06 0.00 0.00 0.00 0.00 51.96 48.90 2ysm s ALA 8 Cb 0.00 -3.22 -0.04 0.00 0.00 0.00 0.00 23.12 19.87 2ysm s ALA 8 CO 0.00 -2.16 0.21 0.54 0.00 0.00 0.00 175.76 174.35 2ysm s ASN 9 N 2.08 5.72 0.06 0.00 2.20 -1.26 -4.85 114.94 118.89 2ysm s ASN 9 Ca 0.14 -0.13 -0.32 0.00 -0.94 0.00 0.00 52.86 51.61 2ysm s ASN 9 Cb -0.17 -1.53 -0.11 0.00 -2.00 0.00 0.00 41.25 37.44 2ysm s ASN 9 CO -0.05 -0.01 1.84 0.00 -2.94 0.00 0.00 177.10 175.94 2ysm n ALA 11 N 5.92 2.29 -0.03 0.00 0.00 -1.18 0.22 120.51 127.73 2ysm n ALA 11 Ca 0.19 -0.06 -0.04 0.00 0.00 0.00 0.00 53.44 53.53 2ysm n ALA 11 Cb 0.34 -1.17 -0.03 0.00 0.00 0.00 0.00 19.45 18.60 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 -0.72 0.36 0.00 0.00 0.31 -1.26 -4.83 118.33 112.19 2ysm n VAL 12 Ca 0.08 -0.15 0.00 0.00 -0.01 0.00 0.00 64.34 64.25 2ysm n VAL 12 Cb 0.04 -0.75 0.00 0.00 -0.91 0.00 0.00 33.84 32.22 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 -1.19 -3.59 -3.93 0.00 2.03 0.59 -4.91 116.55 105.55 2ysm n ASP 14 Ca 0.00 -0.61 -0.26 0.00 0.52 0.00 0.00 54.79 54.44 2ysm n ASP 14 Cb 0.00 -4.87 -0.17 0.00 -0.72 0.00 0.00 41.12 35.36 2ysm n ASP 14 CO 0.00 0.00 0.00 -0.44 -1.92 0.00 0.00 177.20 174.84 2ysm s SER 15 N -3.95 1.97 0.00 1.67 0.01 -1.26 -4.70 113.70 107.45 2ysm s SER 15 Ca 0.15 -0.28 0.14 0.00 1.31 0.00 0.00 55.95 57.28 2ysm s SER 15 Cb -0.02 -0.79 0.65 0.00 0.21 0.00 0.00 66.02 66.06 2ysm s SER 15 CO 0.69 -0.08 1.44 -0.81 0.41 0.00 0.00 173.24 174.89 2ysm n PRO 16 N 4.61 0.06 0.00 12.44 -0.04 -1.26 -3.96 135.00 146.85 2ysm n PRO 16 Ca -0.16 0.22 0.00 0.00 -0.04 0.00 0.00 63.50 63.53 2ysm n PRO 16 Cb 0.50 -1.50 0.00 0.00 -0.04 0.00 0.00 33.50 32.46 2ysm n PRO 16 CO 0.00 0.00 0.00 0.41 -0.04 0.00 0.00 175.50 175.87 2ysm n GLY 17 N -0.04 -0.33 3.56 0.55 0.00 -1.26 -3.77 105.19 103.90 2ysm n GLY 17 Ca 0.04 0.07 -0.43 0.00 0.00 0.00 0.00 46.02 45.71 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 -1.75 6.48 -0.22 1.61 1.01 -1.26 -4.87 116.67 117.66 2ysm s ASP 18 Ca 0.00 0.06 -0.09 0.00 0.71 0.00 0.00 52.55 53.22 2ysm s ASP 18 Cb 0.00 -2.46 -0.18 0.00 1.01 0.00 0.00 42.92 41.29 2ysm s ASP 18 CO 0.00 -1.13 -0.04 0.18 0.21 0.00 0.00 175.17 174.39 2ysm n LEU 19 N 7.37 2.38 0.01 1.23 4.77 -1.25 -4.15 117.00 127.36 2ysm n LEU 19 Ca 0.06 0.19 -0.18 0.00 -0.03 0.00 0.00 56.01 56.05 2ysm n LEU 19 Cb 0.48 -0.94 -0.12 0.00 -2.33 0.00 0.00 43.42 40.51 2ysm n LEU 19 CO 0.65 0.68 0.22 -0.07 -1.33 0.00 0.00 177.39 177.54 2ysm h LEU 20 N -0.48 0.47 -0.94 2.23 -0.00 -1.93 -3.28 115.31 111.37 2ysm h LEU 20 Ca -0.53 -0.82 0.23 0.00 -0.00 0.00 0.00 57.88 56.75 2ysm h LEU 20 Cb 1.73 -0.15 -0.12 0.00 -0.00 0.00 0.00 40.66 42.12 2ysm h LEU 20 CO -0.17 1.23 0.49 -0.78 -0.00 0.00 0.00 178.44 179.22 2ysm h ASP 21 N -0.24 0.51 -4.31 -0.43 1.82 -1.97 -3.41 116.42 108.40 2ysm h ASP 21 Ca -0.09 0.14 -0.51 0.00 -0.39 0.00 0.00 57.03 56.18 2ysm h ASP 21 Cb 1.36 0.07 0.11 0.00 0.68 0.00 0.00 39.33 41.56 2ysm h ASP 21 CO 0.12 0.07 0.34 0.00 -1.61 0.00 0.00 179.24 178.16 2ysm s GLN 22 N -5.84 2.48 0.55 0.28 -2.07 -1.24 -4.49 119.66 109.33 2ysm s GLN 22 Ca -0.11 0.99 0.05 0.00 -1.82 0.00 0.00 55.36 54.47 2ysm s GLN 22 Cb 0.26 -1.94 0.06 0.00 -1.09 0.00 0.00 33.01 30.30 2ysm s GLN 22 CO 0.79 -1.43 0.76 -0.06 -1.32 0.00 0.00 175.29 174.02 2ysm s PHE 23 N -3.00 2.24 -0.16 9.60 0.40 -0.93 -4.89 117.98 121.25 2ysm s PHE 23 Ca 0.60 -0.37 -0.03 0.00 -0.60 0.00 0.00 56.93 56.54 2ysm s PHE 23 Cb -0.15 -2.54 0.05 0.00 0.51 0.00 0.00 43.02 40.89 2ysm s PHE 23 CO 0.55 -0.96 0.03 0.12 0.70 0.00 0.00 175.22 175.66 2ysm s PHE 24 N -2.68 0.91 0.74 0.36 5.36 -1.26 -3.43 117.98 117.98 2ysm s PHE 24 Ca 0.59 -0.66 -0.15 0.00 -0.96 0.00 0.00 56.93 55.76 2ysm s PHE 24 Cb -0.08 -0.96 0.05 0.00 -0.34 0.00 0.00 43.02 41.69 2ysm s PHE 24 CO 0.38 -0.53 1.22 0.00 -1.46 0.00 0.00 175.22 174.83 2ysm n THR 26 N -2.79 0.25 -0.03 0.00 -2.24 -1.26 -3.47 114.28 104.75 2ysm n THR 26 Ca 0.14 -0.50 -0.00 0.00 -2.27 0.00 0.00 64.05 61.41 2ysm n THR 26 Cb 0.50 -0.06 -0.00 0.00 -2.10 0.00 0.00 70.33 68.67 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 0.12 4.28 2.02 -1.92 -3.42 112.91 113.99 2ysm h THR 27 Ca -0.10 -0.58 -0.30 0.00 0.77 0.00 0.00 66.41 66.20 2ysm h THR 27 Cb 1.13 0.00 -0.01 0.00 -1.74 0.00 0.00 68.15 67.53 2ysm h THR 27 CO 0.01 0.00 -1.56 0.00 0.37 0.00 0.00 175.52 174.34 2ysm n GLY 29 N 1.78 1.20 4.02 0.00 0.00 -1.23 -5.04 105.19 105.92 2ysm n GLY 29 Ca -0.27 -0.15 -0.20 0.00 0.00 0.00 0.00 46.02 45.40 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 -1.22 2.28 0.09 1.61 -1.52 -1.26 -4.76 119.66 114.87 2ysm s GLN 30 Ca 0.00 -1.37 0.04 0.00 -1.95 0.00 0.00 55.36 52.08 2ysm s GLN 30 Cb 0.00 -2.58 -0.03 0.00 -0.22 0.00 0.00 33.01 30.18 2ysm s GLN 30 CO 0.00 -0.88 -0.11 -1.01 -0.25 0.00 0.00 175.29 173.04 2ysm s HIS 31 N -2.73 1.10 -0.22 0.91 3.76 -1.26 -1.68 115.29 115.17 2ysm s HIS 31 Ca 0.61 -0.58 -0.22 0.00 -0.15 0.00 0.00 55.06 54.72 2ysm s HIS 31 Cb -0.07 -0.61 0.06 0.00 1.11 0.00 0.00 32.58 33.08 2ysm s HIS 31 CO 0.39 0.02 0.62 0.71 -0.85 0.00 0.00 174.74 175.64 2ysm s TYR 32 N -2.03 -0.68 0.38 1.40 1.51 -1.22 -3.11 117.35 113.61 2ysm s TYR 32 Ca 0.03 1.61 -0.24 0.00 -1.01 0.00 0.00 57.07 57.45 2ysm s TYR 32 Cb -0.05 0.24 -0.09 0.00 -0.11 0.00 0.00 41.96 41.95 2ysm s TYR 32 CO 0.01 -0.35 1.03 -1.01 -1.11 0.00 0.00 175.55 174.11 2ysm s HIS 33 N 0.19 3.36 0.22 2.71 3.76 -1.26 -2.18 115.29 122.09 2ysm s HIS 33 Ca -0.01 1.67 0.35 0.00 -0.15 0.00 0.00 55.06 56.92 2ysm s HIS 33 Cb -0.04 -3.08 1.75 0.00 1.11 0.00 0.00 32.58 32.32 2ysm s HIS 33 CO 0.02 -0.45 2.06 0.78 -0.85 0.00 0.00 174.74 176.30 2ysm h GLY 34 N 2.65 0.00 0.14 -2.22 0.00 -1.82 -2.50 103.07 99.31 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 0.63 0.00 -2.07 -0.13 0.00 0.00 0.00 176.54 174.97 2ysm n MET 35 N -2.83 0.64 -0.04 4.80 0.00 -1.26 0.15 117.12 118.57 2ysm n MET 35 Ca -0.01 0.32 0.16 0.00 -0.00 0.00 0.00 57.70 58.17 2ysm n MET 35 Cb 0.14 -1.61 0.59 0.00 0.00 0.00 0.00 33.22 32.34 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 -4.44 1.94 -2.42 0.00 4.77 -0.96 -4.97 117.00 110.92 2ysm n LEU 37 Ca 0.10 -0.77 -0.16 0.00 -0.03 0.00 0.00 56.01 55.15 2ysm n LEU 37 Cb 0.48 0.00 0.04 0.00 -2.33 0.00 0.00 43.42 41.62 2ysm n LEU 37 CO 0.35 0.36 0.09 0.47 -1.33 0.00 0.00 177.39 177.33 2ysm n ASP 38 N -0.01 -4.91 -4.80 -1.43 9.92 0.29 -5.01 116.55 110.61 2ysm n ASP 38 Ca 0.09 -0.29 -0.36 0.00 -0.53 0.00 0.00 54.79 53.69 2ysm n ASP 38 Cb 0.43 -3.63 -0.07 0.00 -0.64 0.00 0.00 41.12 37.21 2ysm n ASP 38 CO 0.00 0.00 0.00 -0.63 0.13 0.00 0.00 177.20 176.70 2ysm s ILE 39 N -3.11 5.31 -0.59 0.53 1.01 0.39 -4.97 121.20 119.76 2ysm s ILE 39 Ca 0.31 0.14 -0.24 0.00 0.00 0.00 0.00 60.65 60.87 2ysm s ILE 39 Cb -0.14 -3.35 0.05 0.00 0.01 0.00 0.00 42.46 39.03 2ysm s ILE 39 CO 0.39 0.55 0.98 0.00 0.00 0.00 0.00 174.94 176.85 2ysm s ALA 40 N -0.46 3.12 -0.39 9.38 0.00 -1.26 -4.43 121.76 127.71 2ysm s ALA 40 Ca 0.12 -1.40 -0.36 0.00 0.00 0.00 0.00 51.96 50.32 2ysm s ALA 40 Cb -0.12 -3.81 -0.13 0.00 0.00 0.00 0.00 23.12 19.07 2ysm s ALA 40 CO 0.02 -2.56 2.20 0.28 0.00 0.00 0.00 175.76 175.70 2ysm n VAL 41 N 6.15 0.15 -4.29 0.00 0.31 -1.26 -4.93 118.33 114.46 2ysm n VAL 41 Ca 0.00 -0.23 -0.21 0.00 -0.01 0.00 0.00 64.34 63.90 2ysm n VAL 41 Cb 0.47 -1.49 -0.11 0.00 -0.91 0.00 0.00 33.84 31.80 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 7.31 1.60 -2.00 2.52 -4.23 -1.26 -5.01 115.64 114.56 2ysm s THR 42 Ca 1.11 -1.77 0.08 0.00 -1.18 0.00 0.00 61.69 59.94 2ysm s THR 42 Cb -0.94 -1.66 0.24 0.00 1.34 0.00 0.00 72.50 71.48 2ysm s THR 42 CO 0.51 -0.31 0.95 -0.81 -0.54 0.00 0.00 174.62 174.41 2ysm n PRO 43 N 0.52 0.49 -0.12 3.99 -0.04 -1.26 -2.77 135.00 135.81 2ysm n PRO 43 Ca -0.15 0.00 -0.25 0.00 -0.04 0.00 0.00 63.50 63.06 2ysm n PRO 43 Cb 0.56 -1.27 -0.09 0.00 -0.04 0.00 0.00 33.50 32.66 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 -0.77 1.91 0.20 1.53 0.00 -1.26 -4.51 117.00 114.10 2ysm n LEU 44 Ca 0.06 0.23 -0.14 0.00 0.00 0.00 0.00 56.01 56.17 2ysm n LEU 44 Cb 0.03 -0.73 -0.08 0.00 0.00 0.00 0.00 43.42 42.64 2ysm n LEU 44 CO 0.05 0.57 0.55 0.11 0.00 0.00 0.00 177.39 178.66 2ysm h LYS 45 N -0.74 -0.50 -0.74 1.96 1.57 -1.73 -3.18 116.57 113.22 2ysm h LYS 45 Ca -0.60 0.03 0.15 0.00 -1.87 0.00 0.00 60.65 58.36 2ysm h LYS 45 Cb 1.58 0.11 -0.14 0.00 0.08 0.00 0.00 32.23 33.86 2ysm h LYS 45 CO -0.33 -0.19 -0.19 0.54 -0.57 0.00 0.00 179.45 178.71 2ysm n ARG 46 N -5.20 -0.07 -2.36 3.15 1.74 -1.12 -2.46 116.66 110.34 2ysm n ARG 46 Ca -0.10 1.15 -0.42 0.00 -0.77 0.00 0.00 57.85 57.71 2ysm n ARG 46 Cb 0.28 -1.72 -0.03 0.00 -1.02 0.00 0.00 32.46 29.98 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 -5.91 2.79 -0.50 7.54 0.00 -1.20 -3.60 121.76 120.88 2ysm s ALA 47 Ca -0.11 -0.61 -0.01 0.00 0.00 0.00 0.00 51.96 51.23 2ysm s ALA 47 Cb 0.20 -4.10 -0.01 0.00 0.00 0.00 0.00 23.12 19.21 2ysm s ALA 47 CO 0.57 -2.94 0.42 0.41 0.00 0.00 0.00 175.76 174.22 2ysm n GLY 48 N 5.28 0.08 3.87 0.00 0.00 -1.24 -4.95 105.19 108.23 2ysm n GLY 48 Ca 0.13 -0.15 -0.31 0.00 0.00 0.00 0.00 46.02 45.70 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 -3.16 3.47 -0.17 1.61 -0.00 -1.03 -4.99 118.94 114.68 2ysm s TRP 49 Ca 0.05 1.18 -0.06 0.00 -0.00 0.00 0.00 56.10 57.28 2ysm s TRP 49 Cb -0.01 -2.88 0.08 0.00 -0.00 0.00 0.00 33.47 30.66 2ysm s TRP 49 CO 0.31 -0.93 0.35 -0.65 -0.00 0.00 0.00 176.95 176.03 2ysm s GLN 50 N -5.25 0.25 0.83 5.86 -0.21 -1.26 -4.11 119.66 115.76 2ysm s GLN 50 Ca 0.57 0.90 -0.14 0.00 0.02 0.00 0.00 55.36 56.71 2ysm s GLN 50 Cb -0.11 0.16 0.05 0.00 1.00 0.00 0.00 33.01 34.11 2ysm s GLN 50 CO 0.53 -0.26 0.84 0.00 -2.12 0.00 0.00 175.29 174.28 2ysm n PRO 52 N -2.37 0.08 0.05 0.00 -0.04 -1.26 0.26 135.00 131.71 2ysm n PRO 52 Ca 0.11 0.32 0.12 0.00 -0.04 0.00 0.00 63.50 64.01 2ysm n PRO 52 Cb 0.51 -1.64 0.22 0.00 -0.04 0.00 0.00 33.50 32.55 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 -1.79 0.22 0.00 0.54 -0.58 -1.26 -4.13 120.64 113.64 2ysm n GLU 53 Ca 0.03 0.07 0.00 0.00 -0.42 0.00 0.00 57.16 56.84 2ysm n GLU 53 Cb 0.19 -1.65 0.00 0.00 -0.57 0.00 0.00 31.44 29.41 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 -1.32 0.85 -3.85 0.00 2.85 0.14 -4.98 118.16 111.86 2ysm n LYS 55 Ca 0.00 0.35 -0.08 0.00 -1.05 0.00 0.00 58.31 57.52 2ysm n LYS 55 Cb 0.02 -2.42 -0.03 0.00 -0.65 0.00 0.00 35.03 31.96 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 -1.58 0.01 -0.23 0.58 -7.23 -1.26 -4.91 120.40 105.78 2ysm s VAL 56 Ca 0.79 -1.00 -0.29 0.00 -1.81 0.00 0.00 61.98 59.67 2ysm s VAL 56 Cb -0.37 -1.91 -0.03 0.00 0.56 0.00 0.00 36.38 34.63 2ysm s VAL 56 CO 0.44 -0.03 1.79 0.00 -0.31 0.00 0.00 175.10 177.00 2ysm h GLN 58 N 11.98 0.00 0.55 0.00 1.08 -1.87 1.20 115.11 128.06 2ysm h GLN 58 Ca -0.36 0.00 -0.03 0.00 -1.45 0.00 0.00 58.65 56.81 2ysm h GLN 58 Cb 1.18 0.00 0.01 0.00 -0.05 0.00 0.00 27.48 28.61 2ysm h GLN 58 CO 1.00 0.00 -0.26 -0.91 -0.95 0.00 0.00 178.83 177.70 2ysm h ASN 59 N 0.00 -0.62 -0.19 1.46 4.21 -1.89 -3.32 115.58 115.23 2ysm h ASN 59 Ca 0.00 0.02 0.00 0.00 1.21 0.00 0.00 56.30 57.53 2ysm h ASN 59 Cb 0.45 0.16 0.00 0.00 -1.12 0.00 0.00 38.32 37.81 2ysm h ASN 59 CO 0.00 -0.22 0.00 0.00 -1.29 0.00 0.00 177.43 175.92 2ysm n LYS 61 N 1.34 -4.47 -4.00 0.00 4.76 0.41 -4.96 118.16 111.24 2ysm n LYS 61 Ca 0.17 0.66 -0.08 0.00 -2.87 0.00 0.00 58.31 56.18 2ysm n LYS 61 Cb 0.59 -5.47 -0.10 0.00 -1.84 0.00 0.00 35.03 28.21 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 -6.02 0.57 0.29 1.97 -0.21 -0.99 -4.87 119.66 110.39 2ysm s GLN 62 Ca 0.42 -0.95 0.00 0.00 0.02 0.00 0.00 55.36 54.85 2ysm s GLN 62 Cb -0.21 0.21 -0.00 0.00 1.00 0.00 0.00 33.01 34.01 2ysm s GLN 62 CO 0.52 -0.12 0.01 0.45 -2.12 0.00 0.00 175.29 174.02 2ysm n SER 63 N 0.56 2.69 0.00 5.90 2.88 -1.26 -1.57 113.62 122.83 2ysm n SER 63 Ca -0.17 -2.30 0.00 0.00 -1.33 0.00 0.00 58.87 55.07 2ysm n SER 63 Cb 0.59 0.24 0.00 0.00 -0.75 0.00 0.00 64.21 64.29 2ysm n SER 63 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 2ysm n GLY 64 N 1.38 1.90 3.56 0.46 0.00 -1.26 -5.02 105.19 106.22 2ysm n GLY 64 Ca -0.12 -0.51 -0.15 0.00 0.00 0.00 0.00 46.02 45.24 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 0.00 1.68 -0.05 1.61 0.41 -1.26 -4.76 118.70 116.33 2ysm s GLU 65 Ca 0.00 0.32 -0.16 0.00 -0.41 0.00 0.00 54.97 54.72 2ysm s GLU 65 Cb 0.00 -4.84 -0.10 0.00 -1.78 0.00 0.00 34.13 27.42 2ysm s GLU 65 CO 0.00 -4.42 0.65 -0.44 -0.49 0.00 0.00 175.26 170.56 2ysm h ASP 66 N 12.41 -0.34 -0.80 -0.19 3.32 -1.96 -0.44 116.42 128.43 2ysm h ASP 66 Ca 0.02 -0.10 0.19 0.00 0.02 0.00 0.00 57.03 57.15 2ysm h ASP 66 Cb 1.00 0.09 -0.14 0.00 0.22 0.00 0.00 39.33 40.50 2ysm h ASP 66 CO 1.03 0.14 0.01 0.77 -1.72 0.00 0.00 179.24 179.46 2ysm h SER 67 N -1.05 -0.37 -0.22 6.45 4.64 -2.04 0.15 113.55 121.11 2ysm h SER 67 Ca -0.04 0.21 -0.19 0.00 -0.47 0.00 0.00 61.79 61.30 2ysm h SER 67 Cb 0.42 0.37 0.00 0.00 -0.31 0.00 0.00 62.40 62.88 2ysm h SER 67 CO 0.07 -0.20 -0.57 0.11 -0.87 0.00 0.00 176.83 175.37 2ysm h LYS 68 N 0.09 0.82 -6.20 4.77 1.57 -1.96 -3.44 116.57 112.23 2ysm h LYS 68 Ca 0.44 -0.53 -0.62 0.00 -1.87 0.00 0.00 60.65 58.07 2ysm h LYS 68 Cb 0.80 0.07 0.01 0.00 0.08 0.00 0.00 32.23 33.18 2ysm h LYS 68 CO -0.71 1.16 1.20 -0.12 -0.57 0.00 0.00 179.45 180.42 2ysm n MET 69 N -3.99 2.03 -3.16 3.15 1.56 0.53 -3.27 117.12 113.97 2ysm n MET 69 Ca -0.04 0.71 -0.41 0.00 -0.27 0.00 0.00 57.70 57.69 2ysm n MET 69 Cb 0.64 -2.71 -0.07 0.00 2.15 0.00 0.00 33.22 33.22 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 5.11 4.13 -0.42 -0.89 1.43 0.84 -4.83 118.68 124.05 2ysm s LEU 70 Ca 0.96 0.44 -0.16 0.00 -1.03 0.00 0.00 54.13 54.34 2ysm s LEU 70 Cb -0.66 -2.76 0.02 0.00 0.03 0.00 0.00 46.19 42.82 2ysm s LEU 70 CO 0.49 -0.41 0.39 -0.69 0.23 0.00 0.00 176.35 176.35 2ysm s VAL 71 N 2.50 5.15 1.01 -1.59 1.01 -1.26 -1.82 120.40 125.40 2ysm s VAL 71 Ca 0.24 -0.46 -0.13 0.00 0.00 0.00 0.00 61.98 61.62 2ysm s VAL 71 Cb -0.15 -4.00 0.13 0.00 0.00 0.00 0.00 36.38 32.36 2ysm s VAL 71 CO 0.11 -0.38 0.67 0.00 0.00 0.00 0.00 175.10 175.50 2ysm n ASP 73 N -2.90 1.12 -0.06 0.00 8.00 -1.24 -3.62 116.55 117.85 2ysm n ASP 73 Ca 0.07 -0.32 -0.06 0.00 0.71 0.00 0.00 54.79 55.20 2ysm n ASP 73 Cb 0.55 1.46 -0.02 0.00 -0.02 0.00 0.00 41.12 43.09 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 -1.80 1.11 0.11 -3.53 -1.04 -1.26 -4.62 114.28 103.24 2ysm n THR 74 Ca -0.01 0.25 0.03 0.00 -2.04 0.00 0.00 64.05 62.28 2ysm n THR 74 Cb 0.35 -2.15 0.00 0.00 -1.82 0.00 0.00 70.33 66.71 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 -3.11 -2.84 -4.55 0.00 -0.08 -1.24 -4.36 116.55 100.37 2ysm n ASP 76 Ca -0.01 -0.53 -0.30 0.00 -1.51 0.00 0.00 54.79 52.45 2ysm n ASP 76 Cb 0.75 -4.33 -0.10 0.00 2.34 0.00 0.00 41.12 39.77 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 -4.91 2.03 -0.15 -0.67 -0.14 -1.26 -4.82 119.74 109.81 2ysm s LYS 77 Ca 0.08 -1.07 -0.19 0.00 -1.36 0.00 0.00 55.97 53.44 2ysm s LYS 77 Cb -0.01 -2.25 -0.04 0.00 -1.68 0.00 0.00 37.83 33.85 2ysm s LYS 77 CO 0.60 0.50 0.51 0.20 -0.76 0.00 0.00 175.35 176.40 2ysm s GLY 78 N -2.19 2.25 -0.12 -3.33 0.00 -1.26 -2.41 107.32 100.26 2ysm s GLY 78 Ca 0.20 -0.27 -0.04 0.00 0.00 0.00 0.00 44.72 44.62 2ysm s GLY 78 CO 0.13 0.95 0.15 -0.19 0.00 0.00 0.00 173.10 174.14 2ysm s TYR 79 N 1.12 -0.12 0.22 1.90 2.02 -0.75 -3.54 117.35 118.20 2ysm s TYR 79 Ca 0.26 0.35 -0.30 0.00 -0.37 0.00 0.00 57.07 57.01 2ysm s TYR 79 Cb -0.15 -0.37 -0.10 0.00 -0.40 0.00 0.00 41.96 40.94 2ysm s TYR 79 CO 0.10 -0.38 1.40 -1.01 -1.57 0.00 0.00 175.55 174.10 2ysm s HIS 80 N 2.27 3.10 0.23 2.71 3.76 -1.26 -0.11 115.29 125.98 2ysm s HIS 80 Ca 0.04 1.06 -0.14 0.00 -0.15 0.00 0.00 55.06 55.88 2ysm s HIS 80 Cb -0.13 -3.75 0.28 0.00 1.11 0.00 0.00 32.58 30.09 2ysm s HIS 80 CO -0.07 -2.45 1.59 1.79 -0.85 0.00 0.00 174.74 174.74 2ysm h THR 81 N 3.65 0.18 0.00 1.30 1.35 -1.87 1.29 112.91 118.81 2ysm h THR 81 Ca -0.45 0.00 -0.01 0.00 -0.55 0.00 0.00 66.41 65.40 2ysm h THR 81 Cb 1.22 0.18 -0.00 0.00 -1.73 0.00 0.00 68.15 67.81 2ysm h THR 81 CO 0.79 0.00 -0.05 2.19 -0.25 0.00 0.00 175.52 178.19 2ysm h PHE 82 N -0.03 0.00 -0.37 4.73 -5.15 -1.91 -1.68 116.94 112.53 2ysm h PHE 82 Ca 0.35 0.00 -0.02 0.00 -0.20 0.00 0.00 57.97 58.10 2ysm h PHE 82 Cb 0.58 0.00 -0.01 0.00 0.22 0.00 0.00 35.95 36.74 2ysm h PHE 82 CO -0.65 0.05 0.02 0.00 -2.00 0.00 0.00 178.31 175.73 2ysm s LEU 84 N -1.72 3.44 -0.30 0.00 1.43 -0.68 -4.71 118.68 116.15 2ysm s LEU 84 Ca 0.34 -0.09 0.01 0.00 -1.03 0.00 0.00 54.13 53.36 2ysm s LEU 84 Cb 0.26 -2.05 0.09 0.00 0.03 0.00 0.00 46.19 44.52 2ysm s LEU 84 CO 0.10 0.24 0.04 0.00 0.23 0.00 0.00 176.35 176.96 2ysm s GLN 85 N -1.80 1.21 1.20 1.70 -2.07 -1.26 -0.68 119.66 117.96 2ysm s GLN 85 Ca 0.21 -1.30 -0.19 0.00 -1.82 0.00 0.00 55.36 52.26 2ysm s GLN 85 Cb -0.12 -2.56 0.29 0.00 -1.09 0.00 0.00 33.01 29.53 2ysm s GLN 85 CO 0.13 -0.86 1.11 -1.25 -1.32 0.00 0.00 175.29 173.10 2ysm s PRO 86 N 1.33 -1.21 0.34 9.60 0.04 -1.26 -5.04 135.00 138.80 2ysm s PRO 86 Ca 0.06 -0.06 -0.17 0.00 0.04 0.00 0.00 61.00 60.87 2ysm s PRO 86 Cb -0.18 -1.60 -0.09 0.00 0.04 0.00 0.00 34.50 32.67 2ysm s PRO 86 CO -0.14 -3.70 0.79 0.08 0.04 0.00 0.00 177.00 174.06 2ysm s VAL 87 N -3.01 4.61 -0.25 -0.36 1.01 0.14 -5.01 120.40 117.54 2ysm s VAL 87 Ca 0.71 1.09 -0.20 0.00 0.00 0.00 0.00 61.98 63.58 2ysm s VAL 87 Cb -0.10 -3.62 -0.02 0.00 0.00 0.00 0.00 36.38 32.64 2ysm s VAL 87 CO 0.56 -0.20 0.59 -0.04 0.00 0.00 0.00 175.10 176.01 2ysm s MET 88 N -2.99 4.11 0.24 2.72 -1.94 -0.92 -4.95 119.30 115.58 2ysm s MET 88 Ca 0.56 0.48 -0.02 0.00 -1.71 0.00 0.00 55.69 55.00 2ysm s MET 88 Cb -0.10 -3.64 0.27 0.00 2.01 0.00 0.00 34.83 33.37 2ysm s MET 88 CO 0.17 -0.36 1.66 0.87 -0.01 0.00 0.00 175.02 177.35 2ysm h LYS 89 N 7.86 0.66 -3.27 2.03 1.79 -1.96 -3.42 116.57 120.26 2ysm h LYS 89 Ca -0.28 -0.26 -0.03 0.00 -2.18 0.00 0.00 60.65 57.90 2ysm h LYS 89 Cb 1.13 -0.03 -0.04 0.00 -1.58 0.00 0.00 32.23 31.70 2ysm h LYS 89 CO 0.75 0.84 0.12 -1.12 -1.08 0.00 0.00 179.45 178.96 2ysm s SER 90 N -6.77 0.00 -0.16 0.86 0.01 -1.26 -5.14 113.70 101.25 2ysm s SER 90 Ca -0.08 -0.96 -0.16 0.00 1.31 0.00 0.00 55.95 56.06 2ysm s SER 90 Cb 0.13 0.73 -0.04 0.00 0.21 0.00 0.00 66.02 67.05 2ysm s SER 90 CO 0.82 -1.41 0.37 -0.69 0.41 0.00 0.00 173.24 172.74 2ysm s VAL 91 N -3.31 5.24 -2.00 3.43 1.01 -1.26 -4.95 120.40 118.56 2ysm s VAL 91 Ca 0.17 0.71 0.12 0.00 0.00 0.00 0.00 61.98 62.98 2ysm s VAL 91 Cb -0.04 -3.71 0.34 0.00 0.00 0.00 0.00 36.38 32.97 2ysm s VAL 91 CO 0.10 0.33 1.14 -0.81 0.00 0.00 0.00 175.10 175.87 2ysm n PRO 92 N 3.86 0.49 -2.58 2.72 -0.04 -1.26 -4.82 135.00 133.36 2ysm n PRO 92 Ca -0.09 0.00 -0.15 0.00 -0.04 0.00 0.00 63.50 63.21 2ysm n PRO 92 Cb 0.52 -1.38 -0.03 0.00 -0.04 0.00 0.00 33.50 32.56 2ysm n PRO 92 CO 0.00 0.00 0.00 2.41 -0.04 0.00 0.00 175.50 177.87 2ysm n THR 93 N -0.88 0.00 -3.15 0.52 -1.04 -1.26 -4.72 114.28 103.75 2ysm n THR 93 Ca 0.09 0.00 0.05 0.00 -2.04 0.00 0.00 64.05 62.15 2ysm n THR 93 Cb 0.04 -0.18 -0.01 0.00 -1.82 0.00 0.00 70.33 68.37 2ysm n THR 93 CO 0.00 0.00 0.00 0.21 -0.64 0.00 0.00 175.07 174.64 2ysm s ASN 94 N -1.80 -0.50 -0.07 8.00 2.47 -1.26 -5.08 114.94 116.70 2ysm s ASN 94 Ca 0.29 0.20 -0.03 0.00 0.42 0.00 0.00 52.86 53.74 2ysm s ASN 94 Cb -0.17 1.37 0.01 0.00 -1.45 0.00 0.00 41.25 41.01 2ysm s ASN 94 CO 0.36 -0.09 0.06 0.61 -3.72 0.00 0.00 177.10 174.32 2ysm n GLY 95 N 5.33 -1.62 3.30 1.21 0.00 -1.26 -4.95 105.19 107.21 2ysm n GLY 95 Ca -0.00 0.48 -0.36 0.00 0.00 0.00 0.00 46.02 46.13 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 -0.48 3.11 -0.17 1.61 -0.00 -1.26 -4.99 118.94 116.76 2ysm s TRP 96 Ca -0.07 -1.13 -0.07 0.00 -0.00 0.00 0.00 56.10 54.83 2ysm s TRP 96 Cb 0.00 -2.18 -0.04 0.00 -0.00 0.00 0.00 33.47 31.25 2ysm s TRP 96 CO 0.26 -0.61 0.07 0.21 -0.00 0.00 0.00 176.95 176.87 2ysm s LYS 97 N 1.45 3.88 0.73 5.86 2.20 -1.26 -3.68 119.74 128.92 2ysm s LYS 97 Ca 0.02 -0.33 -0.08 0.00 -0.36 0.00 0.00 55.97 55.22 2ysm s LYS 97 Cb -0.17 -3.19 0.06 0.00 -1.51 0.00 0.00 37.83 33.02 2ysm s LYS 97 CO -0.00 0.35 1.06 0.00 -0.36 0.00 0.00 175.35 176.40 2ysm h LYS 99 N -0.72 -0.62 -1.12 0.00 3.64 -1.98 0.26 116.57 116.04 2ysm h LYS 99 Ca -0.45 0.04 0.32 0.00 -1.27 0.00 0.00 60.65 59.30 2ysm h LYS 99 Cb 1.31 0.14 -0.04 0.00 -0.41 0.00 0.00 32.23 33.23 2ysm h LYS 99 CO 0.62 -0.41 1.17 -1.71 -2.27 0.00 0.00 179.45 176.85 2ysm n ASN 100 N -4.08 0.00 -0.06 4.20 4.05 -1.26 0.22 115.26 118.33 2ysm n ASN 100 Ca -0.08 0.74 -0.17 0.00 0.45 0.00 0.00 54.58 55.52 2ysm n ASN 100 Cb 0.25 -0.28 -0.14 0.00 1.23 0.00 0.00 39.78 40.85 2ysm n ASN 100 CO 0.00 0.00 0.00 0.00 -3.05 0.00 0.00 177.26 174.21 2ysm h ARG 102 N 0.03 0.20 -6.06 0.00 0.11 0.63 -3.42 114.38 105.87 2ysm h ARG 102 Ca -0.48 -0.01 -0.78 0.00 0.10 0.00 0.00 59.98 58.80 2ysm h ARG 102 Cb 2.01 -0.05 0.04 0.00 1.11 0.00 0.00 29.97 33.09 2ysm h ARG 102 CO 0.01 0.13 0.28 -0.89 0.10 0.00 0.00 179.97 179.61 2ysm n ILE 103 N -4.43 0.02 -2.24 0.08 -0.00 -0.98 -4.76 119.36 107.05 2ysm n ILE 103 Ca 0.25 -0.00 -0.32 0.00 -0.00 0.00 0.00 62.75 62.67 2ysm n ILE 103 Cb 1.02 -0.30 -0.04 0.00 -0.00 0.00 0.00 39.64 40.32 2ysm n ILE 103 CO 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 176.55 176.55 2ysm s ILE 105 N 8.48 3.28 -0.14 0.00 1.10 -1.26 -5.11 121.20 127.54 2ysm s ILE 105 Ca 0.62 -0.63 -0.30 0.00 -0.51 0.00 0.00 60.65 59.83 2ysm s ILE 105 Cb -0.02 -2.32 0.12 0.00 0.15 0.00 0.00 42.46 40.40 2ysm s ILE 105 CO 0.03 0.58 0.99 -0.55 -2.11 0.00 0.00 174.94 173.88 2ysm s SER 106 N -0.58 -0.36 0.00 4.50 0.15 -1.26 -5.17 113.70 110.97 2ysm s SER 106 Ca 0.08 0.34 0.00 0.00 0.70 0.00 0.00 55.95 57.07 2ysm s SER 106 Cb -0.11 0.31 0.00 0.00 -1.71 0.00 0.00 66.02 64.50 2ysm s SER 106 CO 0.01 -0.38 0.00 0.61 1.20 0.00 0.00 173.24 174.69 2ysm n GLY 107 N 0.58 5.59 0.19 9.45 0.00 -1.26 -5.01 105.19 114.73 2ysm n GLY 107 Ca -0.10 -0.85 0.14 0.00 0.00 0.00 0.00 46.02 45.22 2ysm n GLY 107 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 2ysm h PRO 108 N 0.00 0.00 -3.96 1.61 0.13 -2.08 -3.38 132.00 124.32 2ysm h PRO 108 Ca 0.00 0.00 -0.75 0.00 -0.87 0.00 0.00 66.00 64.38 2ysm h PRO 108 Cb 0.00 0.00 -0.28 0.00 0.13 0.00 0.00 31.00 30.85 2ysm h PRO 108 CO 0.00 0.00 -0.18 -1.12 -0.23 0.00 0.00 178.00 176.47 2ysm s SER 109 N -4.79 6.09 -0.42 1.44 0.01 -1.26 -5.03 113.70 109.74 2ysm s SER 109 Ca 0.03 -2.35 -0.10 0.00 1.31 0.00 0.00 55.95 54.84 2ysm s SER 109 Cb 0.09 -2.09 0.07 0.00 0.21 0.00 0.00 66.02 64.30 2ysm s SER 109 CO 0.45 -0.62 0.27 -0.44 0.41 0.00 0.00 173.24 173.31 2ysm s SER 110 N 2.29 5.71 0.00 2.44 0.01 -1.26 -5.03 113.70 117.87 2ysm s SER 110 Ca 0.12 -1.44 0.00 0.00 1.31 0.00 0.00 55.95 55.94 2ysm s SER 110 Cb -0.20 -2.02 0.00 0.00 0.21 0.00 0.00 66.02 64.01 2ysm s SER 110 CO -0.03 -0.54 0.00 0.61 0.41 0.00 0.00 173.24 173.68