#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 4.66 -0.50 1.61 0.15 -1.26 -4.89 113.70 113.48 2ysm s SER 2 Ca 0.00 0.96 -0.27 0.00 0.70 0.00 0.00 55.95 57.34 2ysm s SER 2 Cb 0.00 -2.51 -0.01 0.00 -1.71 0.00 0.00 66.02 61.79 2ysm s SER 2 CO 0.00 -2.73 1.76 -0.94 1.20 0.00 0.00 173.24 172.53 2ysm s SER 3 N 11.13 5.64 0.00 5.45 1.04 -1.26 -3.91 113.70 131.79 2ysm s SER 3 Ca 0.91 0.69 0.00 0.00 0.48 0.00 0.00 55.95 58.04 2ysm s SER 3 Cb -0.17 -2.53 0.00 0.00 0.10 0.00 0.00 66.02 63.42 2ysm s SER 3 CO 0.25 -2.02 0.00 0.61 0.98 0.00 0.00 173.24 173.07 2ysm n GLY 4 N 5.52 0.25 0.53 7.32 0.00 -1.26 -5.08 105.19 112.46 2ysm n GLY 4 Ca 0.20 -0.47 -0.09 0.00 0.00 0.00 0.00 46.02 45.66 2ysm n GLY 4 CO 0.00 0.00 0.00 -1.26 0.00 0.00 0.00 173.32 172.06 2ysm n SER 5 N -0.30 1.40 -4.69 1.61 2.88 -1.25 -4.98 113.62 108.28 2ysm n SER 5 Ca 0.00 0.22 -0.42 0.00 -1.33 0.00 0.00 58.87 57.34 2ysm n SER 5 Cb 0.10 -0.52 -0.03 0.00 -0.75 0.00 0.00 64.21 63.01 2ysm n SER 5 CO 0.00 0.00 0.00 -0.44 -1.23 0.00 0.00 175.04 173.37 2ysm s SER 6 N -6.10 6.90 0.00 -3.46 0.01 -1.26 -4.97 113.70 104.82 2ysm s SER 6 Ca -0.18 2.07 0.00 0.00 1.31 0.00 0.00 55.95 59.15 2ysm s SER 6 Cb 0.04 -2.56 0.00 0.00 0.21 0.00 0.00 66.02 63.71 2ysm s SER 6 CO 0.25 -0.68 0.00 0.61 0.41 0.00 0.00 173.24 173.83 2ysm n GLY 7 N 3.56 4.64 3.56 3.44 0.00 -1.26 -5.05 105.19 114.08 2ysm n GLY 7 Ca 0.12 -0.88 -0.39 0.00 0.00 0.00 0.00 46.02 44.88 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 -2.00 2.26 0.10 4.61 0.00 -1.26 -4.94 121.76 120.53 2ysm s ALA 8 Ca 0.00 -0.46 0.00 0.00 0.00 0.00 0.00 51.96 51.50 2ysm s ALA 8 Cb 0.00 -4.26 -0.04 0.00 0.00 0.00 0.00 23.12 18.82 2ysm s ALA 8 CO 0.00 -3.71 -0.01 -0.80 0.00 0.00 0.00 175.76 171.24 2ysm s ASN 9 N 7.97 0.69 -0.15 0.00 0.01 -1.26 -4.69 114.94 117.50 2ysm s ASN 9 Ca 0.71 -1.09 -0.37 0.00 -0.71 0.00 0.00 52.86 51.39 2ysm s ASN 9 Cb -0.14 0.19 -0.14 0.00 0.41 0.00 0.00 41.25 41.57 2ysm s ASN 9 CO 0.23 -0.61 1.75 0.00 -1.51 0.00 0.00 177.10 176.96 2ysm n ALA 11 N 5.44 2.11 -0.06 0.00 0.00 -0.78 0.20 120.51 127.41 2ysm n ALA 11 Ca 0.24 -0.10 -0.09 0.00 0.00 0.00 0.00 53.44 53.49 2ysm n ALA 11 Cb 0.20 -1.25 -0.06 0.00 0.00 0.00 0.00 19.45 18.34 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 -0.96 0.74 -1.16 0.00 0.31 -1.26 -4.70 118.33 111.29 2ysm n VAL 12 Ca 0.12 -0.28 0.09 0.00 -0.01 0.00 0.00 64.34 64.26 2ysm n VAL 12 Cb 0.05 -1.01 0.13 0.00 -0.91 0.00 0.00 33.84 32.10 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 -1.31 -0.93 -4.04 0.00 5.68 0.53 -4.82 116.55 111.66 2ysm n ASP 14 Ca 0.15 -0.81 -0.17 0.00 -0.50 0.00 0.00 54.79 53.46 2ysm n ASP 14 Cb 0.65 -1.03 -0.13 0.00 -1.14 0.00 0.00 41.12 39.46 2ysm n ASP 14 CO 0.00 0.00 0.00 -0.55 -1.33 0.00 0.00 177.20 175.32 2ysm s SER 15 N -2.65 1.03 0.07 -1.12 0.15 -1.23 -4.68 113.70 105.27 2ysm s SER 15 Ca 0.47 -0.32 -0.17 0.00 0.70 0.00 0.00 55.95 56.63 2ysm s SER 15 Cb -0.27 -0.06 -0.11 0.00 -1.71 0.00 0.00 66.02 63.87 2ysm s SER 15 CO 0.66 -0.00 1.39 1.55 1.20 0.00 0.00 173.24 178.04 2ysm h PRO 16 N 5.34 0.54 0.00 5.44 0.13 -1.89 0.19 132.00 141.75 2ysm h PRO 16 Ca -0.33 -0.28 0.00 0.00 -0.87 0.00 0.00 66.00 64.52 2ysm h PRO 16 Cb 1.19 0.01 0.00 0.00 0.13 0.00 0.00 31.00 32.33 2ysm h PRO 16 CO 0.46 0.87 0.00 0.41 -0.23 0.00 0.00 178.00 179.51 2ysm n GLY 17 N 0.16 1.05 3.71 1.56 0.00 -1.26 -4.28 105.19 106.14 2ysm n GLY 17 Ca -0.05 -0.33 -0.42 0.00 0.00 0.00 0.00 46.02 45.22 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 -3.74 7.04 0.00 1.61 1.01 -1.26 -4.93 116.67 116.40 2ysm s ASP 18 Ca 0.00 2.08 0.15 0.00 0.71 0.00 0.00 52.55 55.49 2ysm s ASP 18 Cb 0.00 -2.58 -0.18 0.00 1.01 0.00 0.00 42.92 41.17 2ysm s ASP 18 CO 0.00 -0.50 0.71 0.18 0.21 0.00 0.00 175.17 175.77 2ysm n LEU 19 N 3.87 0.80 -0.07 1.23 7.99 -1.26 -3.72 117.00 125.83 2ysm n LEU 19 Ca 0.09 0.36 -0.10 0.00 -0.01 0.00 0.00 56.01 56.36 2ysm n LEU 19 Cb 0.46 0.13 -0.06 0.00 -0.11 0.00 0.00 43.42 43.84 2ysm n LEU 19 CO 0.56 0.25 -0.16 -0.07 -1.51 0.00 0.00 177.39 176.47 2ysm h LEU 20 N 0.00 0.00 -0.90 2.23 3.38 -1.95 -3.37 115.31 114.70 2ysm h LEU 20 Ca -0.23 -0.32 0.20 0.00 0.09 0.00 0.00 57.88 57.62 2ysm h LEU 20 Cb 1.78 0.00 -0.11 0.00 0.09 0.00 0.00 40.66 42.41 2ysm h LEU 20 CO 0.06 0.92 0.43 0.44 0.09 0.00 0.00 178.44 180.38 2ysm h ASP 21 N -1.00 0.43 -3.80 -0.43 5.19 -1.99 -3.41 116.42 111.41 2ysm h ASP 21 Ca -0.09 0.13 -0.44 0.00 -0.62 0.00 0.00 57.03 56.01 2ysm h ASP 21 Cb 0.67 0.08 0.17 0.00 0.18 0.00 0.00 39.33 40.43 2ysm h ASP 21 CO -0.05 0.08 0.18 0.00 -3.12 0.00 0.00 179.24 176.33 2ysm s GLN 22 N -5.90 0.05 0.10 3.56 1.03 -1.24 -4.52 119.66 112.73 2ysm s GLN 22 Ca -0.12 0.35 0.06 0.00 0.04 0.00 0.00 55.36 55.69 2ysm s GLN 22 Cb 0.24 -1.71 -0.04 0.00 0.03 0.00 0.00 33.01 31.54 2ysm s GLN 22 CO 0.78 -2.95 -0.02 -0.06 -2.54 0.00 0.00 175.29 170.50 2ysm s PHE 23 N -3.00 2.93 -0.22 9.60 0.40 -0.42 -4.96 117.98 122.31 2ysm s PHE 23 Ca 0.67 -0.06 0.02 0.00 -0.60 0.00 0.00 56.93 56.95 2ysm s PHE 23 Cb -0.17 -1.50 0.05 0.00 0.51 0.00 0.00 43.02 41.91 2ysm s PHE 23 CO 0.57 0.47 -0.12 0.12 0.70 0.00 0.00 175.22 176.97 2ysm s PHE 24 N -1.35 2.73 0.72 0.36 2.19 -1.26 -2.96 117.98 118.41 2ysm s PHE 24 Ca 0.25 -1.84 -0.15 0.00 0.33 0.00 0.00 56.93 55.53 2ysm s PHE 24 Cb -0.11 -1.77 0.03 0.00 -1.31 0.00 0.00 43.02 39.86 2ysm s PHE 24 CO 0.18 -0.80 1.18 0.00 1.83 0.00 0.00 175.22 177.60 2ysm n THR 26 N -2.68 1.20 0.08 0.00 -2.24 -1.26 -3.26 114.28 106.12 2ysm n THR 26 Ca 0.12 -0.80 -0.04 0.00 -2.27 0.00 0.00 64.05 61.06 2ysm n THR 26 Cb 0.51 -0.42 -0.02 0.00 -2.10 0.00 0.00 70.33 68.30 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 -3.41 112.91 113.94 2ysm h THR 27 Ca -0.48 -0.55 -0.28 0.00 0.77 0.00 0.00 66.41 65.87 2ysm h THR 27 Cb 2.08 0.00 -0.02 0.00 -1.74 0.00 0.00 68.15 68.47 2ysm h THR 27 CO 0.03 0.00 -1.53 0.00 0.37 0.00 0.00 175.52 174.39 2ysm n GLY 29 N 1.68 0.90 3.99 0.00 0.00 -1.20 -5.03 105.19 105.53 2ysm n GLY 29 Ca -0.31 -0.29 -0.24 0.00 0.00 0.00 0.00 46.02 45.19 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 -2.05 1.55 -0.07 1.61 -1.52 -1.26 -4.79 119.66 113.12 2ysm s GLN 30 Ca 0.00 -1.16 0.04 0.00 -1.95 0.00 0.00 55.36 52.28 2ysm s GLN 30 Cb 0.00 -2.31 0.00 0.00 -0.22 0.00 0.00 33.01 30.48 2ysm s GLN 30 CO 0.00 -1.55 -0.19 -1.01 -0.25 0.00 0.00 175.29 172.29 2ysm s HIS 31 N -3.19 2.02 -0.08 0.91 3.76 -1.26 -3.25 115.29 114.20 2ysm s HIS 31 Ca 0.68 -0.75 -0.03 0.00 -0.15 0.00 0.00 55.06 54.81 2ysm s HIS 31 Cb -0.05 -1.38 0.04 0.00 1.11 0.00 0.00 32.58 32.31 2ysm s HIS 31 CO 0.45 -0.31 0.15 0.71 -0.85 0.00 0.00 174.74 174.89 2ysm s TYR 32 N 0.36 -0.16 0.93 1.40 2.02 -1.16 -1.86 117.35 118.88 2ysm s TYR 32 Ca -0.14 0.56 -0.12 0.00 -0.37 0.00 0.00 57.07 57.01 2ysm s TYR 32 Cb -0.16 -0.22 0.15 0.00 -0.40 0.00 0.00 41.96 41.33 2ysm s TYR 32 CO 0.06 -0.24 1.09 -1.01 -1.57 0.00 0.00 175.55 173.88 2ysm s HIS 33 N 1.99 2.23 -0.29 2.71 3.76 -1.26 -1.31 115.29 123.13 2ysm s HIS 33 Ca -0.00 1.17 0.19 0.00 -0.15 0.00 0.00 55.06 56.27 2ysm s HIS 33 Cb -0.12 -3.19 0.19 0.00 1.11 0.00 0.00 32.58 30.57 2ysm s HIS 33 CO -0.06 -2.57 1.52 0.78 -0.85 0.00 0.00 174.74 173.56 2ysm h GLY 34 N -1.67 0.00 0.35 -2.22 0.00 -1.84 -3.23 103.07 94.46 2ysm h GLY 34 Ca -0.51 0.00 -0.37 0.00 0.00 0.00 0.00 47.33 46.45 2ysm h GLY 34 CO 0.55 0.00 -2.20 1.03 0.00 0.00 0.00 176.54 175.92 2ysm n MET 35 N -3.17 0.70 -0.18 4.80 2.81 -1.26 0.31 117.12 121.13 2ysm n MET 35 Ca 0.03 0.20 0.09 0.00 -1.81 0.00 0.00 57.70 56.21 2ysm n MET 35 Cb 0.64 -1.63 0.39 0.00 -0.71 0.00 0.00 33.22 31.91 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 -4.49 2.88 -3.45 0.00 4.77 -1.22 -4.97 117.00 110.52 2ysm n LEU 37 Ca 0.12 -0.97 -0.23 0.00 -0.03 0.00 0.00 56.01 54.90 2ysm n LEU 37 Cb 0.32 0.00 0.08 0.00 -2.33 0.00 0.00 43.42 41.48 2ysm n LEU 37 CO 0.33 0.48 0.23 0.47 -1.33 0.00 0.00 177.39 177.57 2ysm n ASP 38 N 1.18 -6.02 -4.70 -1.43 8.00 -0.09 -5.00 116.55 108.50 2ysm n ASP 38 Ca 0.13 -0.52 -0.34 0.00 0.71 0.00 0.00 54.79 54.77 2ysm n ASP 38 Cb 0.58 -4.83 -0.09 0.00 -0.02 0.00 0.00 41.12 36.76 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 -3.31 4.39 -0.55 0.53 1.01 0.15 -4.99 121.20 118.43 2ysm s ILE 39 Ca 0.54 -0.29 -0.26 0.00 0.00 0.00 0.00 60.65 60.64 2ysm s ILE 39 Cb -0.24 -2.88 0.04 0.00 0.01 0.00 0.00 42.46 39.39 2ysm s ILE 39 CO 0.70 0.55 1.02 0.00 0.00 0.00 0.00 174.94 177.20 2ysm s ALA 40 N -0.95 3.11 -0.02 9.38 0.00 -1.26 -4.47 121.76 127.55 2ysm s ALA 40 Ca 0.15 -1.07 -0.36 0.00 0.00 0.00 0.00 51.96 50.69 2ysm s ALA 40 Cb -0.11 -3.83 -0.14 0.00 0.00 0.00 0.00 23.12 19.04 2ysm s ALA 40 CO 0.05 -2.45 1.66 0.28 0.00 0.00 0.00 175.76 175.30 2ysm n VAL 41 N 6.37 0.24 -3.95 0.00 0.31 -1.26 -4.97 118.33 115.08 2ysm n VAL 41 Ca 0.04 -0.04 -0.10 0.00 -0.01 0.00 0.00 64.34 64.23 2ysm n VAL 41 Cb 0.48 -1.44 -0.12 0.00 -0.91 0.00 0.00 33.84 31.85 2ysm n VAL 41 CO 0.00 0.00 0.00 0.28 -1.32 0.00 0.00 176.83 175.79 2ysm s THR 42 N 2.34 0.08 -2.00 2.52 -1.32 -1.26 -5.02 115.64 110.98 2ysm s THR 42 Ca 0.88 -0.65 0.14 0.00 -1.21 0.00 0.00 61.69 60.85 2ysm s THR 42 Cb -0.81 -0.19 0.39 0.00 -1.51 0.00 0.00 72.50 70.37 2ysm s THR 42 CO 0.49 -0.36 1.24 -0.81 -2.21 0.00 0.00 174.62 172.98 2ysm n PRO 43 N 2.02 0.49 -0.10 7.08 -0.04 -1.26 -2.33 135.00 140.85 2ysm n PRO 43 Ca -0.21 0.00 -0.12 0.00 -0.04 0.00 0.00 63.50 63.14 2ysm n PRO 43 Cb 0.56 -1.44 -0.14 0.00 -0.04 0.00 0.00 33.50 32.45 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 -0.94 1.06 -0.06 1.53 7.94 -1.26 -4.48 117.00 120.78 2ysm n LEU 44 Ca 0.10 -0.05 -0.07 0.00 -1.11 0.00 0.00 56.01 54.88 2ysm n LEU 44 Cb 0.05 0.00 -0.06 0.00 0.53 0.00 0.00 43.42 43.94 2ysm n LEU 44 CO 0.08 0.62 0.04 0.11 -1.11 0.00 0.00 177.39 177.12 2ysm h LYS 45 N 0.00 0.00 -0.69 1.96 1.57 -1.73 -3.37 116.57 114.31 2ysm h LYS 45 Ca -0.52 0.00 0.09 0.00 -1.87 0.00 0.00 60.65 58.35 2ysm h LYS 45 Cb 2.04 0.00 -0.10 0.00 0.08 0.00 0.00 32.23 34.25 2ysm h LYS 45 CO -0.01 0.44 -0.31 0.54 -0.57 0.00 0.00 179.45 179.54 2ysm n ARG 46 N -4.67 -0.20 -1.84 3.15 1.74 -0.98 -2.65 116.66 111.21 2ysm n ARG 46 Ca -0.07 1.05 -0.42 0.00 -0.77 0.00 0.00 57.85 57.64 2ysm n ARG 46 Cb 0.26 -1.56 -0.03 0.00 -1.02 0.00 0.00 32.46 30.11 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 -5.56 2.61 -0.77 7.54 0.00 -1.26 -2.76 121.76 121.55 2ysm s ALA 47 Ca -0.09 0.28 -0.00 0.00 0.00 0.00 0.00 51.96 52.15 2ysm s ALA 47 Cb 0.12 -4.10 0.00 0.00 0.00 0.00 0.00 23.12 19.14 2ysm s ALA 47 CO 0.47 -3.03 0.65 0.41 0.00 0.00 0.00 175.76 174.26 2ysm n GLY 48 N 5.62 -0.07 3.88 0.00 0.00 -1.25 -4.97 105.19 108.39 2ysm n GLY 48 Ca 0.26 -0.11 -0.30 0.00 0.00 0.00 0.00 46.02 45.88 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 -3.23 3.56 -0.01 1.61 -0.00 -1.08 -5.03 118.94 114.76 2ysm s TRP 49 Ca 0.00 1.11 0.01 0.00 -0.00 0.00 0.00 56.10 57.22 2ysm s TRP 49 Cb -0.00 -2.66 0.00 0.00 -0.00 0.00 0.00 33.47 30.82 2ysm s TRP 49 CO 0.47 -0.65 -0.02 -0.65 -0.00 0.00 0.00 176.95 176.10 2ysm s GLN 50 N -5.08 0.20 0.57 5.86 -0.21 -1.26 -4.10 119.66 115.64 2ysm s GLN 50 Ca 0.53 -0.05 -0.15 0.00 0.02 0.00 0.00 55.36 55.72 2ysm s GLN 50 Cb -0.11 -0.23 -0.05 0.00 1.00 0.00 0.00 33.01 33.62 2ysm s GLN 50 CO 0.51 0.02 1.02 0.00 -2.12 0.00 0.00 175.29 174.72 2ysm n PRO 52 N -2.10 0.31 0.02 0.00 -0.04 -1.26 0.05 135.00 131.98 2ysm n PRO 52 Ca 0.07 0.09 0.11 0.00 -0.04 0.00 0.00 63.50 63.73 2ysm n PRO 52 Cb 0.54 -1.50 -0.04 0.00 -0.04 0.00 0.00 33.50 32.46 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 -1.18 0.32 0.00 0.54 -0.58 -1.26 -4.59 120.64 113.89 2ysm n GLU 53 Ca 0.09 -0.04 0.00 0.00 -0.42 0.00 0.00 57.16 56.79 2ysm n GLU 53 Cb 0.09 -1.57 0.00 0.00 -0.57 0.00 0.00 31.44 29.39 2ysm n GLU 53 CO 0.00 0.00 0.00 0.00 -0.48 0.00 0.00 177.13 176.65 2ysm n LYS 55 N -2.73 0.00 -4.16 0.00 2.85 0.11 -4.97 118.16 109.26 2ysm n LYS 55 Ca 0.00 0.00 -0.15 0.00 -1.05 0.00 0.00 58.31 57.11 2ysm n LYS 55 Cb 0.47 -0.49 -0.07 0.00 -0.65 0.00 0.00 35.03 34.29 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 -0.68 0.00 0.58 0.58 -7.23 -1.26 -4.95 120.40 107.44 2ysm s VAL 56 Ca 0.30 -1.79 -0.18 0.00 -1.81 0.00 0.00 61.98 58.51 2ysm s VAL 56 Cb -0.38 -2.52 -0.04 0.00 0.56 0.00 0.00 36.38 34.00 2ysm s VAL 56 CO 0.29 0.00 1.13 0.00 -0.31 0.00 0.00 175.10 176.21 2ysm n GLN 58 N -1.65 1.26 -0.05 0.00 1.13 -1.22 -2.82 117.38 114.03 2ysm n GLN 58 Ca 0.11 -0.05 -0.21 0.00 -1.94 0.00 0.00 57.00 54.91 2ysm n GLN 58 Cb 0.51 -1.31 -0.13 0.00 0.11 0.00 0.00 30.24 29.42 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 0.17 0.00 1.08 2.35 -1.93 -3.41 115.58 113.84 2ysm h ASN 59 Ca 0.00 -0.71 -0.31 0.00 -0.55 0.00 0.00 56.30 54.72 2ysm h ASN 59 Cb 0.51 -0.06 -0.06 0.00 0.05 0.00 0.00 38.32 38.77 2ysm h ASN 59 CO 0.00 1.54 -2.18 0.00 -1.65 0.00 0.00 177.43 175.14 2ysm n LYS 61 N -2.72 -4.47 -3.66 0.00 4.76 -1.13 -5.03 118.16 105.92 2ysm n LYS 61 Ca -0.30 0.50 -0.25 0.00 -2.87 0.00 0.00 58.31 55.39 2ysm n LYS 61 Cb 1.03 -4.53 -0.17 0.00 -1.84 0.00 0.00 35.03 29.52 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 -5.38 0.22 0.05 1.97 -1.52 -1.26 -4.91 119.66 108.83 2ysm s GLN 62 Ca 0.21 -0.08 -0.31 0.00 -1.95 0.00 0.00 55.36 53.23 2ysm s GLN 62 Cb -0.09 -1.64 -0.06 0.00 -0.22 0.00 0.00 33.01 31.00 2ysm s GLN 62 CO 0.44 -0.59 1.23 -1.54 -0.25 0.00 0.00 175.29 174.59 2ysm s SER 63 N 2.07 7.03 0.05 5.90 1.04 -1.26 -4.57 113.70 123.96 2ysm s SER 63 Ca 0.02 2.04 0.00 0.00 0.48 0.00 0.00 55.95 58.49 2ysm s SER 63 Cb -0.15 -2.58 0.00 0.00 0.10 0.00 0.00 66.02 63.39 2ysm s SER 63 CO -0.08 -0.52 0.00 0.61 0.98 0.00 0.00 173.24 174.24 2ysm n GLY 64 N 3.29 -1.34 3.48 7.32 0.00 -1.26 -5.10 105.19 111.58 2ysm n GLY 64 Ca 0.10 0.53 -0.43 0.00 0.00 0.00 0.00 46.02 46.22 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 -2.00 3.11 -0.20 1.61 8.01 -1.26 -4.92 118.70 123.05 2ysm s GLU 65 Ca 0.00 -0.77 -0.16 0.00 0.01 0.00 0.00 54.97 54.05 2ysm s GLU 65 Cb 0.00 -3.99 -0.11 0.00 -4.31 0.00 0.00 34.13 25.72 2ysm s GLU 65 CO 0.00 -0.92 -0.11 -0.25 0.01 0.00 0.00 175.26 173.98 2ysm n ASP 66 N 5.72 1.88 -0.06 -0.19 9.92 -1.26 -3.50 116.55 129.05 2ysm n ASP 66 Ca -0.07 0.45 -0.11 0.00 -0.53 0.00 0.00 54.79 54.54 2ysm n ASP 66 Cb 0.47 -0.87 -0.07 0.00 -0.64 0.00 0.00 41.12 40.00 2ysm n ASP 66 CO 0.00 0.00 0.00 0.28 0.13 0.00 0.00 177.20 177.61 2ysm h SER 67 N -1.00 -1.35 -0.96 -2.24 0.02 -2.03 -1.10 113.55 104.90 2ysm h SER 67 Ca -0.26 0.17 0.06 0.00 -0.84 0.00 0.00 61.79 60.92 2ysm h SER 67 Cb 1.08 0.54 -0.06 0.00 0.14 0.00 0.00 62.40 64.10 2ysm h SER 67 CO -0.16 -0.33 0.61 0.11 -1.14 0.00 0.00 176.83 175.92 2ysm h LYS 68 N -0.36 1.09 -6.14 3.45 1.57 -1.98 -3.41 116.57 110.78 2ysm h LYS 68 Ca 0.04 -0.07 -0.62 0.00 -1.87 0.00 0.00 60.65 58.13 2ysm h LYS 68 Cb 0.47 -0.25 0.01 0.00 0.08 0.00 0.00 32.23 32.54 2ysm h LYS 68 CO -0.39 0.72 1.27 -0.12 -0.57 0.00 0.00 179.45 180.36 2ysm n MET 69 N -4.53 1.90 -2.32 3.15 1.56 -0.42 -4.28 117.12 112.18 2ysm n MET 69 Ca 0.14 0.63 -0.40 0.00 -0.27 0.00 0.00 57.70 57.80 2ysm n MET 69 Cb 0.17 -2.76 -0.03 0.00 2.15 0.00 0.00 33.22 32.75 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 5.87 4.48 -0.40 -0.89 1.43 0.10 -4.70 118.68 124.56 2ysm s LEU 70 Ca 0.99 2.45 -0.03 0.00 -1.03 0.00 0.00 54.13 56.50 2ysm s LEU 70 Cb -0.64 -3.66 0.11 0.00 0.03 0.00 0.00 46.19 42.02 2ysm s LEU 70 CO 0.47 -0.34 0.19 -0.69 0.23 0.00 0.00 176.35 176.22 2ysm s VAL 71 N -1.17 3.30 1.01 -1.59 1.01 -1.26 -1.04 120.40 120.66 2ysm s VAL 71 Ca 0.47 -2.00 -0.17 0.00 0.00 0.00 0.00 61.98 60.28 2ysm s VAL 71 Cb -0.35 -3.24 -0.01 0.00 0.00 0.00 0.00 36.38 32.79 2ysm s VAL 71 CO 0.46 -0.65 -0.15 0.00 0.00 0.00 0.00 175.10 174.75 2ysm n ASP 73 N 0.02 1.86 -0.07 0.00 2.03 -1.25 -3.63 116.55 115.50 2ysm n ASP 73 Ca 0.02 0.00 -0.04 0.00 0.52 0.00 0.00 54.79 55.29 2ysm n ASP 73 Cb 0.59 1.17 -0.02 0.00 -0.72 0.00 0.00 41.12 42.14 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 0.00 0.08 0.00 5.18 2.02 -1.92 -3.40 112.91 114.87 2ysm h THR 74 Ca -0.19 -1.08 -0.19 0.00 0.77 0.00 0.00 66.41 65.72 2ysm h THR 74 Cb 1.28 0.17 -0.03 0.00 -1.74 0.00 0.00 68.15 67.84 2ysm h THR 74 CO 0.01 0.03 -1.12 0.00 0.37 0.00 0.00 175.52 174.81 2ysm n ASP 76 N -3.13 -3.32 -4.72 0.00 2.03 -1.24 -4.79 116.55 101.39 2ysm n ASP 76 Ca -0.05 -0.47 -0.29 0.00 0.52 0.00 0.00 54.79 54.49 2ysm n ASP 76 Cb 0.88 -3.88 -0.08 0.00 -0.72 0.00 0.00 41.12 37.32 2ysm n ASP 76 CO 0.00 0.00 0.00 -0.54 -1.92 0.00 0.00 177.20 174.74 2ysm s LYS 77 N -4.61 2.13 -0.14 -0.67 1.02 -1.26 -4.83 119.74 111.38 2ysm s LYS 77 Ca 0.13 -2.14 -0.05 0.00 0.02 0.00 0.00 55.97 53.93 2ysm s LYS 77 Cb -0.02 -1.73 -0.04 0.00 -0.52 0.00 0.00 37.83 35.53 2ysm s LYS 77 CO 0.53 -0.22 0.03 0.20 -0.92 0.00 0.00 175.35 174.97 2ysm s GLY 78 N -3.87 1.89 -0.18 -3.33 0.00 -1.26 -2.07 107.32 98.50 2ysm s GLY 78 Ca 0.27 -0.76 -0.04 0.00 0.00 0.00 0.00 44.72 44.18 2ysm s GLY 78 CO 0.14 -0.24 0.26 -0.19 0.00 0.00 0.00 173.10 173.07 2ysm s TYR 79 N -0.25 -0.40 0.49 1.90 2.02 -0.21 -3.42 117.35 117.49 2ysm s TYR 79 Ca 0.07 0.54 -0.22 0.00 -0.37 0.00 0.00 57.07 57.09 2ysm s TYR 79 Cb -0.12 -0.21 -0.07 0.00 -0.40 0.00 0.00 41.96 41.17 2ysm s TYR 79 CO 0.02 -0.54 1.19 -1.01 -1.57 0.00 0.00 175.55 173.64 2ysm s HIS 80 N 2.39 2.73 0.05 2.71 3.76 -1.26 0.00 115.29 125.66 2ysm s HIS 80 Ca 0.06 1.51 -0.27 0.00 -0.15 0.00 0.00 55.06 56.21 2ysm s HIS 80 Cb -0.14 -3.44 -0.17 0.00 1.11 0.00 0.00 32.58 29.93 2ysm s HIS 80 CO -0.11 -1.78 1.51 1.79 -0.85 0.00 0.00 174.74 175.30 2ysm h THR 81 N 1.66 0.68 0.00 1.30 1.35 -1.93 -2.51 112.91 113.46 2ysm h THR 81 Ca -0.50 -0.25 -0.01 0.00 -0.55 0.00 0.00 66.41 65.11 2ysm h THR 81 Cb 1.26 0.82 -0.00 0.00 -1.73 0.00 0.00 68.15 68.50 2ysm h THR 81 CO 0.59 0.05 -0.03 2.19 -0.25 0.00 0.00 175.52 178.07 2ysm h PHE 82 N -0.59 0.00 0.00 4.73 -5.15 -1.93 -0.53 116.94 113.48 2ysm h PHE 82 Ca -0.05 0.00 -0.04 0.00 -0.20 0.00 0.00 57.97 57.68 2ysm h PHE 82 Cb 0.43 0.00 -0.01 0.00 0.22 0.00 0.00 35.95 36.59 2ysm h PHE 82 CO -0.02 0.03 -0.20 0.00 -2.00 0.00 0.00 178.31 176.12 2ysm s LEU 84 N -6.97 4.29 -0.29 0.00 1.43 -0.21 -4.96 118.68 111.96 2ysm s LEU 84 Ca -0.01 2.07 0.01 0.00 -1.03 0.00 0.00 54.13 55.18 2ysm s LEU 84 Cb 0.11 -4.00 0.09 0.00 0.03 0.00 0.00 46.19 42.42 2ysm s LEU 84 CO 0.62 -0.33 0.03 0.00 0.23 0.00 0.00 176.35 176.90 2ysm s GLN 85 N -2.12 1.30 1.15 1.70 -2.07 -1.26 -0.93 119.66 117.42 2ysm s GLN 85 Ca 0.53 -1.32 -0.19 0.00 -1.82 0.00 0.00 55.36 52.55 2ysm s GLN 85 Cb -0.24 -2.62 0.28 0.00 -1.09 0.00 0.00 33.01 29.34 2ysm s GLN 85 CO 0.31 -0.84 1.02 -0.35 -1.32 0.00 0.00 175.29 174.11 2ysm n PRO 86 N 4.58 -3.01 -3.77 9.60 -0.04 -1.26 -5.14 135.00 135.97 2ysm n PRO 86 Ca -0.03 -1.63 -0.36 0.00 -0.04 0.00 0.00 63.50 61.44 2ysm n PRO 86 Cb 0.43 -1.53 -0.06 0.00 -0.04 0.00 0.00 33.50 32.30 2ysm n PRO 86 CO 0.00 0.00 0.00 0.54 -0.04 0.00 0.00 175.50 176.00 2ysm s VAL 87 N -2.85 5.34 1.03 0.52 0.11 -0.11 -4.98 120.40 119.46 2ysm s VAL 87 Ca 0.66 0.30 -0.12 0.00 -2.93 0.00 0.00 61.98 59.89 2ysm s VAL 87 Cb -0.06 -3.52 0.21 0.00 -1.53 0.00 0.00 36.38 31.47 2ysm s VAL 87 CO 0.51 0.51 1.08 -0.04 -3.33 0.00 0.00 175.10 173.82 2ysm s MET 88 N -1.34 0.17 -0.13 1.54 -1.94 -1.18 -4.96 119.30 111.46 2ysm s MET 88 Ca 0.22 1.01 -0.00 0.00 -1.71 0.00 0.00 55.69 55.20 2ysm s MET 88 Cb -0.13 -1.67 -0.08 0.00 2.01 0.00 0.00 34.83 34.96 2ysm s MET 88 CO 0.11 -3.04 -0.13 1.63 -0.01 0.00 0.00 175.02 173.58 2ysm n LYS 89 N -4.46 0.33 -4.44 2.03 4.76 -1.26 -4.79 118.16 110.33 2ysm n LYS 89 Ca 0.06 0.09 -0.23 0.00 -2.87 0.00 0.00 58.31 55.36 2ysm n LYS 89 Cb 0.54 -1.23 -0.08 0.00 -1.84 0.00 0.00 35.03 32.42 2ysm n LYS 89 CO 0.00 0.00 0.00 -1.12 -1.37 0.00 0.00 177.40 174.91 2ysm s SER 90 N -5.44 2.36 -0.24 4.39 0.01 -1.26 -5.14 113.70 108.38 2ysm s SER 90 Ca -0.18 -1.66 -0.07 0.00 1.31 0.00 0.00 55.95 55.35 2ysm s SER 90 Cb 0.05 0.48 -0.02 0.00 0.21 0.00 0.00 66.02 66.73 2ysm s SER 90 CO 0.30 -0.94 0.04 -0.69 0.41 0.00 0.00 173.24 172.36 2ysm s VAL 91 N -3.33 4.12 0.48 3.43 1.01 -1.26 -5.10 120.40 119.75 2ysm s VAL 91 Ca 0.29 -0.24 -0.08 0.00 0.00 0.00 0.00 61.98 61.95 2ysm s VAL 91 Cb 0.03 -2.91 0.12 0.00 0.00 0.00 0.00 36.38 33.62 2ysm s VAL 91 CO 0.17 0.36 0.43 -0.81 0.00 0.00 0.00 175.10 175.25 2ysm n PRO 92 N 4.84 -1.85 -3.92 2.72 -0.04 -1.26 -5.03 135.00 130.46 2ysm n PRO 92 Ca -0.17 -0.68 -0.34 0.00 -0.04 0.00 0.00 63.50 62.27 2ysm n PRO 92 Cb 0.51 -0.64 -0.14 0.00 -0.04 0.00 0.00 33.50 33.20 2ysm n PRO 92 CO 0.00 0.00 0.00 -0.08 -0.04 0.00 0.00 175.50 175.38 2ysm s THR 93 N -1.77 2.75 -1.15 0.52 -1.32 -1.26 -4.79 115.64 108.62 2ysm s THR 93 Ca 0.28 -1.97 -0.10 0.00 -1.21 0.00 0.00 61.69 58.69 2ysm s THR 93 Cb -0.03 -2.84 0.10 0.00 -1.51 0.00 0.00 72.50 68.23 2ysm s THR 93 CO 0.21 -0.46 0.25 0.59 -2.21 0.00 0.00 174.62 173.00 2ysm n ASN 94 N 4.46 -0.53 -2.72 8.08 3.02 -1.26 -4.72 115.26 121.59 2ysm n ASN 94 Ca -0.04 -0.82 -0.04 0.00 -0.03 0.00 0.00 54.58 53.65 2ysm n ASN 94 Cb 0.42 -1.04 0.08 0.00 -0.61 0.00 0.00 39.78 38.63 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 -1.29 1.70 3.67 7.41 0.00 -1.26 -5.01 105.19 110.41 2ysm n GLY 95 Ca -0.03 -0.66 -0.26 0.00 0.00 0.00 0.00 46.02 45.07 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 -1.68 2.84 -0.05 1.61 -0.00 -1.26 -5.01 118.94 115.38 2ysm s TRP 96 Ca 0.21 -0.15 -0.02 0.00 -0.00 0.00 0.00 56.10 56.14 2ysm s TRP 96 Cb 0.40 -1.35 0.03 0.00 -0.00 0.00 0.00 33.47 32.55 2ysm s TRP 96 CO -0.06 0.53 0.05 0.15 -0.00 0.00 0.00 176.95 177.62 2ysm s LYS 97 N -3.08 0.05 0.45 5.86 1.02 -1.26 -3.91 119.74 118.87 2ysm s LYS 97 Ca 0.28 0.30 -0.23 0.00 0.02 0.00 0.00 55.97 56.35 2ysm s LYS 97 Cb -0.09 -0.67 -0.08 0.00 -0.52 0.00 0.00 37.83 36.47 2ysm s LYS 97 CO 0.19 -0.35 1.13 0.00 -0.92 0.00 0.00 175.35 175.40 2ysm h LYS 99 N 2.07 0.08 -0.11 0.00 3.64 -2.00 1.23 116.57 121.47 2ysm h LYS 99 Ca -0.49 -0.00 -0.10 0.00 -1.27 0.00 0.00 60.65 58.78 2ysm h LYS 99 Cb 1.24 -0.02 -0.01 0.00 -0.41 0.00 0.00 32.23 33.03 2ysm h LYS 99 CO 0.60 0.05 -0.39 -0.97 -2.27 0.00 0.00 179.45 176.48 2ysm h ASN 100 N 0.08 0.25 0.00 4.20 -1.24 -1.99 -3.09 115.58 113.80 2ysm h ASN 100 Ca 0.66 -0.10 -0.21 0.00 0.71 0.00 0.00 56.30 57.36 2ysm h ASN 100 Cb 2.38 -0.07 -0.03 0.00 0.73 0.00 0.00 38.32 41.33 2ysm h ASN 100 CO -0.11 0.63 -1.14 0.00 -1.29 0.00 0.00 177.43 175.52 2ysm h ARG 102 N -1.00 0.02 -4.44 0.00 0.11 -0.44 -3.42 114.38 105.20 2ysm h ARG 102 Ca -0.31 -0.00 -0.55 0.00 0.10 0.00 0.00 59.98 59.22 2ysm h ARG 102 Cb 1.26 -0.00 0.06 0.00 1.11 0.00 0.00 29.97 32.39 2ysm h ARG 102 CO -0.19 0.01 -0.13 -0.89 0.10 0.00 0.00 179.97 178.87 2ysm n ILE 103 N -4.13 0.61 -2.00 0.08 2.08 -1.17 -4.73 119.36 110.10 2ysm n ILE 103 Ca 0.37 -0.15 -0.43 0.00 0.56 0.00 0.00 62.75 63.10 2ysm n ILE 103 Cb 1.68 0.00 -0.03 0.00 -0.75 0.00 0.00 39.64 40.55 2ysm n ILE 103 CO 0.00 0.00 0.00 0.00 0.56 0.00 0.00 176.55 177.11 2ysm h ILE 105 N 6.77 1.14 -0.60 0.00 1.08 -1.89 -3.46 117.51 120.55 2ysm h ILE 105 Ca -0.34 -2.40 -0.73 0.00 -0.39 0.00 0.00 64.86 61.00 2ysm h ILE 105 Cb 1.17 2.79 -0.03 0.00 -3.07 0.00 0.00 36.82 37.68 2ysm h ILE 105 CO 1.03 0.67 1.32 -0.24 -0.69 0.00 0.00 178.15 180.23 2ysm n SER 106 N -4.03 1.46 0.00 1.72 2.88 -1.26 -4.57 113.62 109.82 2ysm n SER 106 Ca -0.23 0.61 0.00 0.00 -1.33 0.00 0.00 58.87 57.92 2ysm n SER 106 Cb 0.85 -1.07 0.00 0.00 -0.75 0.00 0.00 64.21 63.24 2ysm n SER 106 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 2ysm n GLY 107 N 6.77 -0.66 3.56 0.46 0.00 -1.26 -5.06 105.19 109.01 2ysm n GLY 107 Ca 0.47 -0.26 -0.27 0.00 0.00 0.00 0.00 46.02 45.96 2ysm n GLY 107 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 2ysm s PRO 108 N -1.31 2.54 0.56 1.61 0.04 -1.26 -4.79 135.00 132.39 2ysm s PRO 108 Ca 0.00 -0.51 0.31 0.00 0.04 0.00 0.00 61.00 60.84 2ysm s PRO 108 Cb 0.00 -5.11 1.45 0.00 0.04 0.00 0.00 34.50 30.89 2ysm s PRO 108 CO 0.00 -3.53 1.82 0.66 0.04 0.00 0.00 177.00 175.99 2ysm h SER 109 N 10.90 0.00 -4.52 6.66 4.64 -1.97 -3.40 113.55 125.85 2ysm h SER 109 Ca 0.13 0.00 -0.47 0.00 -0.47 0.00 0.00 61.79 60.98 2ysm h SER 109 Cb 0.99 0.00 0.10 0.00 -0.31 0.00 0.00 62.40 63.18 2ysm h SER 109 CO 1.21 0.00 0.39 -0.44 -0.87 0.00 0.00 176.83 177.12 2ysm s SER 110 N -5.18 4.46 0.00 4.97 0.01 -1.26 -5.24 113.70 111.46 2ysm s SER 110 Ca -0.05 0.88 0.00 0.00 1.31 0.00 0.00 55.95 58.09 2ysm s SER 110 Cb 0.19 -1.44 0.00 0.00 0.21 0.00 0.00 66.02 64.98 2ysm s SER 110 CO 0.67 -1.94 0.00 0.61 0.41 0.00 0.00 173.24 172.99