#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 3.51 0.73 1.61 0.15 -1.26 -5.12 113.70 113.32 2ysm s SER 2 Ca 0.00 -1.02 -0.16 0.00 0.70 0.00 0.00 55.95 55.47 2ysm s SER 2 Cb 0.00 -1.05 -0.14 0.00 -1.71 0.00 0.00 66.02 63.13 2ysm s SER 2 CO 0.00 -0.23 -0.49 -1.54 1.20 0.00 0.00 173.24 172.18 2ysm n SER 3 N 4.77 -4.64 -0.31 5.45 3.41 -1.26 -4.76 113.62 116.28 2ysm n SER 3 Ca -0.12 0.34 0.00 0.00 -0.26 0.00 0.00 58.87 58.83 2ysm n SER 3 Cb 0.45 -0.72 0.00 0.00 -0.26 0.00 0.00 64.21 63.68 2ysm n SER 3 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 2ysm n GLY 4 N 2.82 -0.49 0.39 5.00 0.00 -1.26 -5.08 105.19 106.57 2ysm n GLY 4 Ca 0.02 -0.91 -0.00 0.00 0.00 0.00 0.00 46.02 45.12 2ysm n GLY 4 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 2ysm n SER 5 N 0.00 2.43 -3.80 1.61 3.41 -1.26 -5.02 113.62 111.00 2ysm n SER 5 Ca 0.00 0.00 -0.26 0.00 -0.26 0.00 0.00 58.87 58.35 2ysm n SER 5 Cb 0.00 -0.01 -0.17 0.00 -0.26 0.00 0.00 64.21 63.77 2ysm n SER 5 CO 0.00 0.00 0.00 -0.94 -0.16 0.00 0.00 175.04 173.94 2ysm s SER 6 N -4.43 2.41 0.38 4.04 1.04 -1.26 -5.14 113.70 110.75 2ysm s SER 6 Ca -0.01 -0.51 0.04 0.00 0.48 0.00 0.00 55.95 55.96 2ysm s SER 6 Cb 0.00 -0.65 -0.03 0.00 0.10 0.00 0.00 66.02 65.45 2ysm s SER 6 CO 0.01 -0.22 0.15 -0.83 0.98 0.00 0.00 173.24 173.32 2ysm s GLY 7 N 1.82 2.49 -0.85 7.32 0.00 -1.26 -5.08 107.32 111.77 2ysm s GLY 7 Ca 0.02 -1.43 -0.25 0.00 0.00 0.00 0.00 44.72 43.06 2ysm s GLY 7 CO -0.07 -1.75 1.62 0.00 0.00 0.00 0.00 173.10 172.90 2ysm s ALA 8 N -3.29 2.33 0.42 3.20 0.00 -1.26 -4.93 121.76 118.23 2ysm s ALA 8 Ca 0.28 -1.56 0.04 0.00 0.00 0.00 0.00 51.96 50.71 2ysm s ALA 8 Cb 0.03 -4.44 -0.02 0.00 0.00 0.00 0.00 23.12 18.69 2ysm s ALA 8 CO 0.17 -3.93 0.12 -0.80 0.00 0.00 0.00 175.76 171.32 2ysm s ASN 9 N 6.12 2.92 0.46 0.00 0.01 -1.26 -4.89 114.94 118.30 2ysm s ASN 9 Ca 0.54 -1.69 -0.24 0.00 -0.71 0.00 0.00 52.86 50.76 2ysm s ASN 9 Cb -0.06 0.53 -0.07 0.00 0.41 0.00 0.00 41.25 42.06 2ysm s ASN 9 CO 0.04 -0.94 1.33 0.00 -1.51 0.00 0.00 177.10 176.01 2ysm n ALA 11 N -0.33 2.47 -0.03 0.00 0.00 -0.65 -2.13 120.51 119.84 2ysm n ALA 11 Ca 0.06 -0.75 -0.05 0.00 0.00 0.00 0.00 53.44 52.70 2ysm n ALA 11 Cb 0.44 -0.99 -0.02 0.00 0.00 0.00 0.00 19.45 18.89 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 0.86 0.28 0.04 0.00 0.31 -1.26 -4.80 118.33 113.76 2ysm n VAL 12 Ca 0.17 -0.07 0.10 0.00 -0.01 0.00 0.00 64.34 64.53 2ysm n VAL 12 Cb 0.45 -1.51 -0.16 0.00 -0.91 0.00 0.00 33.84 31.71 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 -2.17 -3.06 -3.90 0.00 9.92 -0.91 -4.98 116.55 111.45 2ysm n ASP 14 Ca -0.03 -0.48 -0.11 0.00 -0.53 0.00 0.00 54.79 53.64 2ysm n ASP 14 Cb 0.52 -4.19 -0.10 0.00 -0.64 0.00 0.00 41.12 36.71 2ysm n ASP 14 CO 0.00 0.00 0.00 -0.44 0.13 0.00 0.00 177.20 176.89 2ysm s SER 15 N -3.84 0.08 -0.02 -2.24 0.01 -1.26 -4.78 113.70 101.65 2ysm s SER 15 Ca 0.14 -0.27 -0.25 0.00 1.31 0.00 0.00 55.95 56.88 2ysm s SER 15 Cb -0.06 0.18 -0.20 0.00 0.21 0.00 0.00 66.02 66.15 2ysm s SER 15 CO 0.58 -0.33 1.27 1.55 0.41 0.00 0.00 173.24 176.73 2ysm h PRO 16 N 4.49 0.03 0.00 12.44 0.13 -1.96 -3.04 132.00 144.10 2ysm h PRO 16 Ca -0.31 -0.02 0.00 0.00 -0.87 0.00 0.00 66.00 64.81 2ysm h PRO 16 Cb 1.20 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.33 2ysm h PRO 16 CO 0.41 0.51 0.00 0.41 -0.23 0.00 0.00 178.00 179.10 2ysm n GLY 17 N 0.23 2.71 3.31 1.56 0.00 -1.26 -3.72 105.19 108.01 2ysm n GLY 17 Ca -0.08 0.04 -0.43 0.00 0.00 0.00 0.00 46.02 45.55 2ysm n GLY 17 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 2ysm s ASP 18 N -4.00 5.96 0.52 1.61 2.15 -1.26 -4.92 116.67 116.73 2ysm s ASP 18 Ca 0.00 -1.60 0.29 0.00 0.43 0.00 0.00 52.55 51.67 2ysm s ASP 18 Cb 0.00 -2.11 1.43 0.00 -0.30 0.00 0.00 42.92 41.93 2ysm s ASP 18 CO 0.00 -0.69 2.04 -0.07 -0.17 0.00 0.00 175.17 176.28 2ysm h LEU 19 N 8.65 0.00 -1.69 -1.34 -0.00 -1.96 -2.27 115.31 116.70 2ysm h LEU 19 Ca -0.26 0.00 -0.04 0.00 -0.00 0.00 0.00 57.88 57.58 2ysm h LEU 19 Cb 1.09 0.00 -0.01 0.00 -0.00 0.00 0.00 40.66 41.75 2ysm h LEU 19 CO 0.89 0.11 -0.19 -0.07 -0.00 0.00 0.00 178.44 179.19 2ysm h LEU 20 N 0.00 0.00 -3.61 1.67 3.38 -1.93 -2.30 115.31 112.52 2ysm h LEU 20 Ca -0.00 0.00 -0.34 0.00 0.09 0.00 0.00 57.88 57.63 2ysm h LEU 20 Cb 0.41 0.00 -0.20 0.00 0.09 0.00 0.00 40.66 40.96 2ysm h LEU 20 CO 0.01 0.19 0.15 0.47 0.09 0.00 0.00 178.44 179.36 2ysm n ASP 21 N -4.01 3.32 -4.29 -0.43 8.00 -0.86 -4.96 116.55 113.32 2ysm n ASP 21 Ca -0.02 -3.74 -0.32 0.00 0.71 0.00 0.00 54.79 51.41 2ysm n ASP 21 Cb 0.27 -0.71 -0.16 0.00 -0.02 0.00 0.00 41.12 40.50 2ysm n ASP 21 CO 0.00 0.00 0.00 -1.10 -0.39 0.00 0.00 177.20 175.71 2ysm s GLN 22 N -3.33 2.84 0.15 -1.24 -0.21 -0.87 -2.67 119.66 114.34 2ysm s GLN 22 Ca 0.50 -0.84 -0.26 0.00 0.02 0.00 0.00 55.36 54.78 2ysm s GLN 22 Cb 0.44 -2.31 -0.08 0.00 1.00 0.00 0.00 33.01 32.06 2ysm s GLN 22 CO 0.03 0.32 0.82 -0.06 -2.12 0.00 0.00 175.29 174.27 2ysm s PHE 23 N 0.02 3.89 -0.06 0.91 0.08 1.00 -4.81 117.98 119.00 2ysm s PHE 23 Ca -0.08 1.67 0.02 0.00 0.12 0.00 0.00 56.93 58.66 2ysm s PHE 23 Cb -0.15 -2.83 -0.03 0.00 -0.57 0.00 0.00 43.02 39.44 2ysm s PHE 23 CO 0.05 0.44 -0.12 0.12 -0.10 0.00 0.00 175.22 175.62 2ysm s PHE 24 N -0.89 2.78 0.15 0.36 5.36 -1.26 -2.27 117.98 122.21 2ysm s PHE 24 Ca 0.38 -0.12 -0.05 0.00 -0.96 0.00 0.00 56.93 56.18 2ysm s PHE 24 Cb -0.23 -1.67 -0.06 0.00 -0.34 0.00 0.00 43.02 40.72 2ysm s PHE 24 CO 0.27 0.22 0.39 0.00 -1.46 0.00 0.00 175.22 174.64 2ysm n THR 26 N 0.07 0.51 0.00 0.00 -2.24 -1.26 -3.40 114.28 107.96 2ysm n THR 26 Ca -0.02 -0.60 0.00 0.00 -2.27 0.00 0.00 64.05 61.16 2ysm n THR 26 Cb 0.52 -0.24 0.00 0.00 -2.10 0.00 0.00 70.33 68.51 2ysm n THR 26 CO 0.00 0.00 0.00 0.41 -0.57 0.00 0.00 175.07 174.91 2ysm n THR 27 N -2.50 0.00 -0.02 4.28 -1.04 -1.26 -4.67 114.28 109.08 2ysm n THR 27 Ca -0.09 0.46 -0.19 0.00 -2.04 0.00 0.00 64.05 62.19 2ysm n THR 27 Cb 0.71 -1.38 -0.14 0.00 -1.82 0.00 0.00 70.33 67.70 2ysm n THR 27 CO 0.00 0.00 0.00 0.00 -0.64 0.00 0.00 175.07 174.43 2ysm n GLY 29 N 1.64 0.76 4.01 0.00 0.00 -1.22 -5.04 105.19 105.33 2ysm n GLY 29 Ca -0.18 -0.04 -0.18 0.00 0.00 0.00 0.00 46.02 45.62 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 0.15 2.66 0.10 1.61 -1.52 -1.26 -4.78 119.66 116.62 2ysm s GLN 30 Ca 0.00 -1.38 0.08 0.00 -1.95 0.00 0.00 55.36 52.11 2ysm s GLN 30 Cb 0.00 -2.69 -0.03 0.00 -0.22 0.00 0.00 33.01 30.06 2ysm s GLN 30 CO 0.00 -0.42 -0.20 -1.01 -0.25 0.00 0.00 175.29 173.41 2ysm s HIS 31 N -2.45 1.68 -0.19 0.91 3.76 -1.26 -2.29 115.29 115.46 2ysm s HIS 31 Ca 0.56 -0.42 -0.16 0.00 -0.15 0.00 0.00 55.06 54.88 2ysm s HIS 31 Cb -0.08 -0.93 0.05 0.00 1.11 0.00 0.00 32.58 32.73 2ysm s HIS 31 CO 0.34 0.18 0.50 0.71 -0.85 0.00 0.00 174.74 175.61 2ysm s TYR 32 N -1.17 -0.57 0.38 1.40 1.51 -0.96 -1.64 117.35 116.30 2ysm s TYR 32 Ca 0.05 1.36 -0.17 0.00 -1.01 0.00 0.00 57.07 57.30 2ysm s TYR 32 Cb -0.10 0.21 -0.10 0.00 -0.11 0.00 0.00 41.96 41.87 2ysm s TYR 32 CO 0.04 -0.28 0.84 -1.01 -1.11 0.00 0.00 175.55 174.03 2ysm s HIS 33 N 0.43 3.36 0.55 2.71 3.76 -1.26 -0.00 115.29 124.83 2ysm s HIS 33 Ca -0.01 1.38 0.26 0.00 -0.15 0.00 0.00 55.06 56.53 2ysm s HIS 33 Cb -0.04 -2.67 1.61 0.00 1.11 0.00 0.00 32.58 32.59 2ysm s HIS 33 CO -0.01 -0.03 2.20 0.78 -0.85 0.00 0.00 174.74 176.82 2ysm h GLY 34 N 1.96 0.00 0.71 -2.22 0.00 -1.75 -2.29 103.07 99.48 2ysm h GLY 34 Ca -0.48 0.00 -0.35 0.00 0.00 0.00 0.00 47.33 46.50 2ysm h GLY 34 CO 0.63 0.00 -1.92 -0.33 0.00 0.00 0.00 176.54 174.92 2ysm h MET 35 N 0.00 0.22 -0.61 4.80 2.86 -1.89 0.99 114.93 121.31 2ysm h MET 35 Ca -0.00 -0.37 0.05 0.00 -2.06 0.00 0.00 59.70 57.32 2ysm h MET 35 Cb 0.06 0.14 -0.04 0.00 0.06 0.00 0.00 31.60 31.82 2ysm h MET 35 CO 0.00 1.07 0.40 0.00 1.06 0.00 0.00 176.91 179.45 2ysm n LEU 37 N -4.47 0.64 -1.81 0.00 4.77 -0.90 -4.98 117.00 110.25 2ysm n LEU 37 Ca 0.08 -0.51 -0.11 0.00 -0.03 0.00 0.00 56.01 55.44 2ysm n LEU 37 Cb 0.21 0.00 0.03 0.00 -2.33 0.00 0.00 43.42 41.33 2ysm n LEU 37 CO 0.34 0.16 0.08 -0.67 -1.33 0.00 0.00 177.39 175.97 2ysm n ASP 38 N -1.26 -3.92 -4.82 -1.43 2.03 -0.33 -5.02 116.55 101.80 2ysm n ASP 38 Ca 0.03 -0.21 -0.36 0.00 0.52 0.00 0.00 54.79 54.76 2ysm n ASP 38 Cb 0.20 -2.59 -0.07 0.00 -0.72 0.00 0.00 41.12 37.95 2ysm n ASP 38 CO 0.00 0.00 0.00 -0.63 -1.92 0.00 0.00 177.20 174.65 2ysm s ILE 39 N -3.05 5.28 -0.54 5.18 1.01 0.33 -4.97 121.20 124.45 2ysm s ILE 39 Ca 0.23 0.13 -0.24 0.00 0.00 0.00 0.00 60.65 60.77 2ysm s ILE 39 Cb -0.10 -3.31 0.04 0.00 0.01 0.00 0.00 42.46 39.10 2ysm s ILE 39 CO 0.29 0.59 0.90 0.00 0.00 0.00 0.00 174.94 176.72 2ysm s ALA 40 N -0.76 3.19 -0.13 9.38 0.00 -1.26 -4.56 121.76 127.62 2ysm s ALA 40 Ca 0.13 -1.24 -0.37 0.00 0.00 0.00 0.00 51.96 50.48 2ysm s ALA 40 Cb -0.12 -3.68 -0.14 0.00 0.00 0.00 0.00 23.12 19.18 2ysm s ALA 40 CO 0.03 -2.31 1.72 0.28 0.00 0.00 0.00 175.76 175.48 2ysm n VAL 41 N 6.16 0.32 -4.06 0.00 0.31 -1.26 -4.96 118.33 114.84 2ysm n VAL 41 Ca 0.01 -0.06 -0.09 0.00 -0.01 0.00 0.00 64.34 64.19 2ysm n VAL 41 Cb 0.47 -1.40 -0.11 0.00 -0.91 0.00 0.00 33.84 31.90 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 3.07 0.29 -2.00 2.52 -4.23 -1.26 -5.02 115.64 109.01 2ysm s THR 42 Ca 0.93 -1.40 0.10 0.00 -1.18 0.00 0.00 61.69 60.14 2ysm s THR 42 Cb -0.91 -0.96 0.29 0.00 1.34 0.00 0.00 72.50 72.26 2ysm s THR 42 CO 0.57 -0.72 1.04 -0.81 -0.54 0.00 0.00 174.62 174.15 2ysm n PRO 43 N 0.81 0.49 -0.12 3.99 -0.04 -1.26 -2.87 135.00 136.00 2ysm n PRO 43 Ca -0.19 0.00 -0.24 0.00 -0.04 0.00 0.00 63.50 63.04 2ysm n PRO 43 Cb 0.58 -1.32 -0.08 0.00 -0.04 0.00 0.00 33.50 32.64 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 -0.82 1.73 0.39 1.53 7.94 -1.26 -4.50 117.00 122.01 2ysm n LEU 44 Ca 0.08 0.30 -0.18 0.00 -1.11 0.00 0.00 56.01 55.10 2ysm n LEU 44 Cb 0.03 -0.71 -0.09 0.00 0.53 0.00 0.00 43.42 43.18 2ysm n LEU 44 CO 0.06 0.40 0.57 0.11 -1.11 0.00 0.00 177.39 177.42 2ysm h LYS 45 N -0.88 -0.95 -0.73 1.96 1.57 -1.75 -2.94 116.57 112.85 2ysm h LYS 45 Ca -0.54 0.06 0.23 0.00 -1.87 0.00 0.00 60.65 58.54 2ysm h LYS 45 Cb 1.46 0.22 -0.13 0.00 0.08 0.00 0.00 32.23 33.85 2ysm h LYS 45 CO -0.33 -0.62 0.14 0.54 -0.57 0.00 0.00 179.45 178.61 2ysm n ARG 46 N -5.49 -0.05 -3.14 3.15 1.74 -1.14 -1.45 116.66 110.28 2ysm n ARG 46 Ca -0.14 1.07 -0.45 0.00 -0.77 0.00 0.00 57.85 57.56 2ysm n ARG 46 Cb 0.40 -1.76 -0.01 0.00 -1.02 0.00 0.00 32.46 30.07 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 -5.47 4.06 0.00 7.54 0.00 -1.11 -4.16 121.76 122.62 2ysm s ALA 47 Ca -0.09 -3.33 0.00 0.00 0.00 0.00 0.00 51.96 48.54 2ysm s ALA 47 Cb 0.23 -3.81 0.00 0.00 0.00 0.00 0.00 23.12 19.54 2ysm s ALA 47 CO 0.57 -2.55 0.00 0.41 0.00 0.00 0.00 175.76 174.19 2ysm n GLY 48 N 4.05 1.26 3.81 0.00 0.00 -0.97 -4.92 105.19 108.43 2ysm n GLY 48 Ca 0.24 0.00 -0.38 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 -2.00 3.78 -0.22 1.61 -0.00 -0.53 -4.93 118.94 116.64 2ysm s TRP 49 Ca 0.00 1.31 -0.01 0.00 -0.00 0.00 0.00 56.10 57.40 2ysm s TRP 49 Cb 0.00 -2.53 0.07 0.00 -0.00 0.00 0.00 33.47 31.00 2ysm s TRP 49 CO 0.00 0.53 0.01 -0.65 -0.00 0.00 0.00 176.95 176.84 2ysm s GLN 50 N -1.34 1.02 0.86 5.86 -0.21 -1.26 -4.20 119.66 120.39 2ysm s GLN 50 Ca 0.33 -0.73 -0.17 0.00 0.02 0.00 0.00 55.36 54.81 2ysm s GLN 50 Cb -0.19 -2.29 -0.14 0.00 1.00 0.00 0.00 33.01 31.40 2ysm s GLN 50 CO 0.20 -0.67 -0.52 0.00 -2.12 0.00 0.00 175.29 172.18 2ysm n PRO 52 N 1.91 0.14 0.00 0.00 -0.04 -1.26 0.43 135.00 136.19 2ysm n PRO 52 Ca 0.01 0.18 0.11 0.00 -0.04 0.00 0.00 63.50 63.76 2ysm n PRO 52 Cb 0.53 -1.50 0.03 0.00 -0.04 0.00 0.00 33.50 32.52 2ysm n PRO 52 CO 0.00 0.00 0.00 0.39 -0.04 0.00 0.00 175.50 175.85 2ysm n GLU 53 N -1.35 0.00 0.00 0.54 1.02 -1.26 -4.38 120.64 115.21 2ysm n GLU 53 Ca 0.06 -0.00 0.00 0.00 -0.02 0.00 0.00 57.16 57.20 2ysm n GLU 53 Cb 0.13 -1.50 0.00 0.00 -0.02 0.00 0.00 31.44 30.05 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 -1.26 0.48 -3.80 0.00 2.85 0.17 -4.97 118.16 111.62 2ysm n LYS 55 Ca 0.00 0.20 -0.08 0.00 -1.05 0.00 0.00 58.31 57.38 2ysm n LYS 55 Cb 0.13 -1.90 -0.03 0.00 -0.65 0.00 0.00 35.03 32.59 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 -1.78 0.00 0.70 0.58 -7.23 -1.26 -4.92 120.40 106.49 2ysm s VAL 56 Ca 0.69 -0.89 -0.16 0.00 -1.81 0.00 0.00 61.98 59.81 2ysm s VAL 56 Cb -0.38 -1.84 -0.01 0.00 0.56 0.00 0.00 36.38 34.71 2ysm s VAL 56 CO 0.54 -0.01 0.94 0.00 -0.31 0.00 0.00 175.10 176.26 2ysm n GLN 58 N -1.65 1.14 -0.08 0.00 1.13 -1.11 -3.08 117.38 113.73 2ysm n GLN 58 Ca 0.13 -0.06 -0.09 0.00 -1.94 0.00 0.00 57.00 55.03 2ysm n GLN 58 Cb 0.49 -1.33 -0.05 0.00 0.11 0.00 0.00 30.24 29.46 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 0.35 1.08 2.35 -1.90 -3.41 115.58 114.05 2ysm h ASN 59 Ca 0.00 -0.23 -0.18 0.00 -0.55 0.00 0.00 56.30 55.34 2ysm h ASN 59 Cb 0.55 0.00 -0.03 0.00 0.05 0.00 0.00 38.32 38.88 2ysm h ASN 59 CO 0.00 0.93 -1.81 0.00 -1.65 0.00 0.00 177.43 174.90 2ysm n LYS 61 N -2.69 -5.40 -3.92 0.00 4.76 -1.18 -5.03 118.16 104.71 2ysm n LYS 61 Ca -0.14 0.66 -0.20 0.00 -2.87 0.00 0.00 58.31 55.76 2ysm n LYS 61 Cb 0.85 -5.14 -0.17 0.00 -1.84 0.00 0.00 35.03 28.74 2ysm n LYS 61 CO 0.00 0.00 0.00 1.14 -1.37 0.00 0.00 177.40 177.17 2ysm s GLN 62 N -5.26 0.49 -0.12 1.97 -2.07 -1.26 -4.89 119.66 108.52 2ysm s GLN 62 Ca 0.09 0.06 -0.21 0.00 -1.82 0.00 0.00 55.36 53.49 2ysm s GLN 62 Cb -0.04 -0.71 -0.04 0.00 -1.09 0.00 0.00 33.01 31.13 2ysm s GLN 62 CO 0.57 -0.18 0.60 -1.54 -1.32 0.00 0.00 175.29 173.42 2ysm s SER 63 N 1.35 6.80 0.00 12.60 1.04 -1.26 -4.21 113.70 130.02 2ysm s SER 63 Ca -0.05 0.97 0.00 0.00 0.48 0.00 0.00 55.95 57.35 2ysm s SER 63 Cb -0.13 -2.35 0.00 0.00 0.10 0.00 0.00 66.02 63.64 2ysm s SER 63 CO -0.02 -0.11 0.00 0.61 0.98 0.00 0.00 173.24 174.70 2ysm n GLY 64 N 3.32 -2.21 3.66 7.32 0.00 -1.26 -5.11 105.19 110.91 2ysm n GLY 64 Ca -0.03 0.70 -0.43 0.00 0.00 0.00 0.00 46.02 46.26 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 -0.26 4.27 -0.14 1.61 0.41 -1.26 -4.93 118.70 118.39 2ysm s GLU 65 Ca 0.00 1.33 -0.13 0.00 -0.41 0.00 0.00 54.97 55.76 2ysm s GLU 65 Cb 0.00 -3.63 -0.04 0.00 -1.78 0.00 0.00 34.13 28.67 2ysm s GLU 65 CO 0.00 -0.59 -0.26 -0.40 -0.49 0.00 0.00 175.26 173.52 2ysm n ASP 66 N 6.18 1.64 -0.27 -0.19 5.75 -1.26 -3.78 116.55 124.61 2ysm n ASP 66 Ca 0.11 0.38 -0.07 0.00 -0.01 0.00 0.00 54.79 55.20 2ysm n ASP 66 Cb 0.46 -0.74 -0.07 0.00 -1.03 0.00 0.00 41.12 39.75 2ysm n ASP 66 CO 0.00 0.00 0.00 -1.20 -0.11 0.00 0.00 177.20 175.89 2ysm n SER 67 N -4.22 -0.69 -0.34 -1.12 7.64 -1.26 0.68 113.62 114.31 2ysm n SER 67 Ca -0.10 1.40 0.02 0.00 1.01 0.00 0.00 58.87 61.20 2ysm n SER 67 Cb 0.38 -0.27 0.16 0.00 -1.01 0.00 0.00 64.21 63.47 2ysm n SER 67 CO 0.00 0.00 0.00 0.11 -3.01 0.00 0.00 175.04 172.14 2ysm h LYS 68 N 0.00 1.03 -6.12 1.43 1.57 -1.99 -3.42 116.57 109.07 2ysm h LYS 68 Ca 0.10 -0.06 -0.68 0.00 -1.87 0.00 0.00 60.65 58.14 2ysm h LYS 68 Cb 0.27 -0.23 0.00 0.00 0.08 0.00 0.00 32.23 32.35 2ysm h LYS 68 CO -0.61 0.68 1.16 -0.12 -0.57 0.00 0.00 179.45 179.98 2ysm n MET 69 N -4.57 1.39 -2.76 3.15 1.56 0.21 -4.10 117.12 112.00 2ysm n MET 69 Ca 0.14 0.47 -0.43 0.00 -0.27 0.00 0.00 57.70 57.62 2ysm n MET 69 Cb 0.19 -2.38 -0.04 0.00 2.15 0.00 0.00 33.22 33.14 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 5.16 3.93 -0.29 -0.89 1.43 0.67 -4.86 118.68 123.82 2ysm s LEU 70 Ca 1.01 -0.42 -0.29 0.00 -1.03 0.00 0.00 54.13 53.40 2ysm s LEU 70 Cb -0.89 -2.76 0.00 0.00 0.03 0.00 0.00 46.19 42.57 2ysm s LEU 70 CO 0.56 -1.39 1.26 -0.69 0.23 0.00 0.00 176.35 176.31 2ysm s VAL 71 N 4.37 4.22 0.94 -1.59 1.01 -1.26 -2.60 120.40 125.47 2ysm s VAL 71 Ca 0.31 1.38 -0.11 0.00 0.00 0.00 0.00 61.98 63.57 2ysm s VAL 71 Cb -0.12 -4.19 0.15 0.00 0.00 0.00 0.00 36.38 32.22 2ysm s VAL 71 CO 0.18 -0.46 1.09 0.00 0.00 0.00 0.00 175.10 175.92 2ysm n ASP 73 N -4.13 2.20 0.14 0.00 -0.08 -1.26 -3.34 116.55 110.08 2ysm n ASP 73 Ca 0.08 -0.09 -0.07 0.00 -1.51 0.00 0.00 54.79 53.20 2ysm n ASP 73 Cb 0.54 -0.10 -0.03 0.00 2.34 0.00 0.00 41.12 43.87 2ysm n ASP 73 CO 0.00 0.00 0.00 0.74 0.12 0.00 0.00 177.20 178.06 2ysm h THR 74 N 0.00 0.00 0.00 5.18 2.02 -1.94 -3.38 112.91 114.79 2ysm h THR 74 Ca -0.44 -0.68 -0.21 0.00 0.77 0.00 0.00 66.41 65.85 2ysm h THR 74 Cb 1.74 0.00 -0.04 0.00 -1.74 0.00 0.00 68.15 68.12 2ysm h THR 74 CO -0.05 0.00 -1.51 0.00 0.37 0.00 0.00 175.52 174.33 2ysm n ASP 76 N -2.94 -3.34 -0.03 0.00 8.00 -1.21 -4.80 116.55 112.23 2ysm n ASP 76 Ca -0.12 -0.88 -0.01 0.00 0.71 0.00 0.00 54.79 54.49 2ysm n ASP 76 Cb 0.91 -3.48 -0.00 0.00 -0.02 0.00 0.00 41.12 38.53 2ysm n ASP 76 CO 0.00 0.00 0.00 0.11 -0.39 0.00 0.00 177.20 176.92 2ysm h LYS 77 N -1.87 0.00 0.00 -1.24 6.56 -1.93 -3.45 116.57 114.64 2ysm h LYS 77 Ca -0.59 0.00 0.00 0.00 -1.06 0.00 0.00 60.65 59.00 2ysm h LYS 77 Cb 1.38 0.00 0.00 0.00 -0.57 0.00 0.00 32.23 33.04 2ysm h LYS 77 CO 0.68 0.00 0.00 0.41 -2.06 0.00 0.00 179.45 178.48 2ysm n GLY 78 N 1.79 3.76 3.04 3.86 0.00 -1.26 -4.27 105.19 112.10 2ysm n GLY 78 Ca -0.02 -0.90 -0.13 0.00 0.00 0.00 0.00 46.02 44.98 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 -0.38 1.17 1.61 1.51 -1.07 -2.77 117.35 117.41 2ysm s TYR 79 Ca 0.00 0.89 -0.14 0.00 -1.01 0.00 0.00 57.07 56.81 2ysm s TYR 79 Cb 0.00 0.02 0.28 0.00 -0.11 0.00 0.00 41.96 42.15 2ysm s TYR 79 CO 0.00 -0.29 1.03 -1.01 -1.11 0.00 0.00 175.55 174.17 2ysm s HIS 80 N 1.80 1.31 0.01 2.71 3.76 -1.26 -0.24 115.29 123.38 2ysm s HIS 80 Ca -0.04 1.03 0.10 0.00 -0.15 0.00 0.00 55.06 56.00 2ysm s HIS 80 Cb -0.11 -3.13 -0.12 0.00 1.11 0.00 0.00 32.58 30.34 2ysm s HIS 80 CO -0.09 -3.82 1.28 1.79 -0.85 0.00 0.00 174.74 173.06 2ysm h THR 81 N -2.58 1.34 -0.66 1.30 1.35 -1.85 -3.26 112.91 108.55 2ysm h THR 81 Ca -0.59 -2.94 -0.24 0.00 -0.55 0.00 0.00 66.41 62.09 2ysm h THR 81 Cb 1.34 2.65 -0.15 0.00 -1.73 0.00 0.00 68.15 70.27 2ysm h THR 81 CO 0.50 0.76 0.25 2.22 -0.25 0.00 0.00 175.52 179.01 2ysm n PHE 82 N -3.27 2.15 0.00 4.73 -1.74 -1.26 0.94 117.46 119.00 2ysm n PHE 82 Ca -0.01 -1.36 0.00 0.00 -0.56 0.00 0.00 57.45 55.52 2ysm n PHE 82 Cb 0.88 -0.66 0.00 0.00 1.52 0.00 0.00 39.48 41.22 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 -2.16 3.77 -0.32 0.00 1.43 -1.24 -4.89 118.68 115.27 2ysm s LEU 84 Ca 0.00 1.69 0.02 0.00 -1.03 0.00 0.00 54.13 54.81 2ysm s LEU 84 Cb 0.00 -4.53 0.09 0.00 0.03 0.00 0.00 46.19 41.78 2ysm s LEU 84 CO 0.00 -0.57 0.04 0.00 0.23 0.00 0.00 176.35 176.05 2ysm s GLN 85 N -3.59 1.32 1.16 1.70 -2.07 -1.26 0.21 119.66 117.13 2ysm s GLN 85 Ca 0.62 -1.53 -0.18 0.00 -1.82 0.00 0.00 55.36 52.45 2ysm s GLN 85 Cb -0.11 -2.79 0.26 0.00 -1.09 0.00 0.00 33.01 29.29 2ysm s GLN 85 CO 0.23 -0.90 1.11 -1.25 -1.32 0.00 0.00 175.29 173.16 2ysm s PRO 86 N 1.16 -0.85 0.52 9.60 0.04 -1.26 -5.06 135.00 139.15 2ysm s PRO 86 Ca 0.08 0.07 -0.07 0.00 0.04 0.00 0.00 61.00 61.12 2ysm s PRO 86 Cb -0.19 -1.63 -0.04 0.00 0.04 0.00 0.00 34.50 32.69 2ysm s PRO 86 CO -0.12 -3.49 0.85 0.14 0.04 0.00 0.00 177.00 174.41 2ysm s VAL 87 N -3.00 4.86 -1.02 -0.36 -7.23 0.13 -4.96 120.40 108.83 2ysm s VAL 87 Ca 0.70 0.37 -0.03 0.00 -1.81 0.00 0.00 61.98 61.21 2ysm s VAL 87 Cb -0.12 -3.87 0.30 0.00 0.56 0.00 0.00 36.38 33.25 2ysm s VAL 87 CO 0.56 -0.93 1.36 0.23 -0.31 0.00 0.00 175.10 176.02 2ysm n MET 88 N -2.38 4.15 -0.41 4.82 2.81 0.27 -4.87 117.12 121.50 2ysm n MET 88 Ca 0.02 -4.57 0.34 0.00 -1.81 0.00 0.00 57.70 51.68 2ysm n MET 88 Cb 0.55 -2.48 0.56 0.00 -0.71 0.00 0.00 33.22 31.14 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 1.32 -0.02 -4.56 0.03 3.00 -1.26 -4.39 118.16 112.27 2ysm n LYS 89 Ca 0.26 0.96 -0.26 0.00 -0.00 0.00 0.00 58.31 59.27 2ysm n LYS 89 Cb 0.34 -1.95 -0.09 0.00 0.00 0.00 0.00 35.03 33.34 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 -4.25 3.09 -0.09 3.14 0.01 -1.26 -5.05 113.70 109.29 2ysm s SER 90 Ca -0.05 -1.55 -0.01 0.00 1.31 0.00 0.00 55.95 55.65 2ysm s SER 90 Cb 0.24 0.23 -0.03 0.00 0.21 0.00 0.00 66.02 66.67 2ysm s SER 90 CO 0.66 -0.76 -0.05 -0.69 0.41 0.00 0.00 173.24 172.80 2ysm s VAL 91 N -3.10 3.81 1.11 3.43 1.01 -1.26 -5.04 120.40 120.37 2ysm s VAL 91 Ca 0.25 -0.43 -0.16 0.00 0.00 0.00 0.00 61.98 61.64 2ysm s VAL 91 Cb 0.05 -2.59 0.24 0.00 0.00 0.00 0.00 36.38 34.09 2ysm s VAL 91 CO 0.13 0.58 1.10 -2.16 0.00 0.00 0.00 175.10 174.74 2ysm s PRO 92 N -0.53 -0.51 -0.08 2.72 0.04 -1.26 -5.04 135.00 130.33 2ysm s PRO 92 Ca 0.08 0.19 -0.04 0.00 0.04 0.00 0.00 61.00 61.28 2ysm s PRO 92 Cb -0.12 -1.66 -0.01 0.00 0.04 0.00 0.00 34.50 32.75 2ysm s PRO 92 CO 0.02 -3.29 -0.07 1.15 0.04 0.00 0.00 177.00 174.84 2ysm h THR 93 N -2.29 0.00 -2.22 1.26 2.02 -2.05 -3.50 112.91 106.13 2ysm h THR 93 Ca -0.50 -0.68 -0.06 0.00 0.77 0.00 0.00 66.41 65.94 2ysm h THR 93 Cb 1.31 0.00 -0.22 0.00 -1.74 0.00 0.00 68.15 67.51 2ysm h THR 93 CO 0.45 0.00 0.03 0.54 0.37 0.00 0.00 175.52 176.91 2ysm s ASN 94 N -4.90 -0.65 0.00 4.18 2.20 -1.26 -5.02 114.94 109.49 2ysm s ASN 94 Ca -0.06 1.21 0.00 0.00 -0.94 0.00 0.00 52.86 53.07 2ysm s ASN 94 Cb 0.01 1.22 0.00 0.00 -2.00 0.00 0.00 41.25 40.48 2ysm s ASN 94 CO 0.09 -0.25 0.00 0.61 -2.94 0.00 0.00 177.10 174.61 2ysm n GLY 95 N 2.60 0.46 3.77 0.45 0.00 -1.26 -5.11 105.19 106.11 2ysm n GLY 95 Ca -0.14 -0.44 -0.24 0.00 0.00 0.00 0.00 46.02 45.20 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 -2.61 3.03 -0.14 1.61 -0.00 -1.26 -5.13 118.94 114.44 2ysm s TRP 96 Ca 0.00 -0.11 -0.06 0.00 -0.00 0.00 0.00 56.10 55.93 2ysm s TRP 96 Cb 0.00 -1.40 0.06 0.00 -0.00 0.00 0.00 33.47 32.13 2ysm s TRP 96 CO 0.00 0.53 0.31 0.21 -0.00 0.00 0.00 176.95 178.00 2ysm s LYS 97 N -3.52 0.24 0.66 5.86 2.20 -1.26 -4.37 119.74 119.55 2ysm s LYS 97 Ca 0.31 0.73 -0.14 0.00 -0.36 0.00 0.00 55.97 56.52 2ysm s LYS 97 Cb -0.08 -0.01 -0.00 0.00 -1.51 0.00 0.00 37.83 36.23 2ysm s LYS 97 CO 0.23 -0.22 1.08 0.00 -0.36 0.00 0.00 175.35 176.08 2ysm h LYS 99 N -0.15 -0.76 -0.77 0.00 3.64 -1.98 0.10 116.57 116.65 2ysm h LYS 99 Ca -0.46 0.05 0.22 0.00 -1.27 0.00 0.00 60.65 59.20 2ysm h LYS 99 Cb 1.23 0.17 -0.03 0.00 -0.41 0.00 0.00 32.23 33.19 2ysm h LYS 99 CO 0.55 -0.50 1.17 -0.97 -2.27 0.00 0.00 179.45 177.43 2ysm h ASN 100 N -0.78 0.00 0.15 4.20 -1.24 -1.99 2.15 115.58 118.07 2ysm h ASN 100 Ca -0.03 0.00 -0.35 0.00 0.71 0.00 0.00 56.30 56.63 2ysm h ASN 100 Cb 0.73 0.00 -0.06 0.00 0.73 0.00 0.00 38.32 39.72 2ysm h ASN 100 CO -0.17 0.00 -2.17 0.00 -1.29 0.00 0.00 177.43 173.80 2ysm h ARG 102 N 0.01 0.00 -6.49 0.00 0.11 0.59 -3.43 114.38 105.17 2ysm h ARG 102 Ca -0.47 0.00 -0.61 0.00 0.10 0.00 0.00 59.98 59.01 2ysm h ARG 102 Cb 2.09 0.00 0.08 0.00 1.11 0.00 0.00 29.97 33.25 2ysm h ARG 102 CO 0.03 0.00 0.47 -0.89 0.10 0.00 0.00 179.97 179.68 2ysm n ILE 103 N -3.79 0.96 0.10 0.08 -0.00 -1.03 -4.90 119.36 110.78 2ysm n ILE 103 Ca 0.06 -0.24 -0.17 0.00 -0.00 0.00 0.00 62.75 62.40 2ysm n ILE 103 Cb 0.52 -1.22 -0.11 0.00 -0.00 0.00 0.00 39.64 38.83 2ysm n ILE 103 CO 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 176.55 176.55 2ysm n ILE 105 N -3.65 -0.58 -3.65 0.00 5.41 -1.26 -3.15 119.36 112.47 2ysm n ILE 105 Ca -0.09 2.12 -0.38 0.00 1.00 0.00 0.00 62.75 65.39 2ysm n ILE 105 Cb 0.97 -2.63 -0.09 0.00 -0.71 0.00 0.00 39.64 37.18 2ysm n ILE 105 CO 0.00 0.00 0.00 -0.55 0.00 0.00 0.00 176.55 176.00 2ysm s SER 106 N -5.43 5.51 0.00 4.38 0.15 -1.26 -4.96 113.70 112.10 2ysm s SER 106 Ca -0.11 -2.57 0.00 0.00 0.70 0.00 0.00 55.95 53.97 2ysm s SER 106 Cb 0.11 -1.92 0.00 0.00 -1.71 0.00 0.00 66.02 62.49 2ysm s SER 106 CO 0.55 -0.47 0.00 0.61 1.20 0.00 0.00 173.24 175.13 2ysm n GLY 107 N 3.93 -0.35 3.58 9.45 0.00 -1.19 -4.85 105.19 115.75 2ysm n GLY 107 Ca 0.05 -0.45 -0.30 0.00 0.00 0.00 0.00 46.02 45.32 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 -1.25 -1.51 -0.44 1.61 0.04 -1.26 -4.99 135.00 127.20 2ysm s PRO 108 Ca 0.00 -0.16 0.04 0.00 0.04 0.00 0.00 61.00 60.92 2ysm s PRO 108 Cb 0.00 -1.57 0.44 0.00 0.04 0.00 0.00 34.50 33.41 2ysm s PRO 108 CO 0.00 -3.89 1.41 0.45 0.04 0.00 0.00 177.00 175.01 2ysm n SER 109 N -4.86 5.64 -2.27 6.66 2.88 -1.26 -4.73 113.62 115.66 2ysm n SER 109 Ca 0.15 -3.76 -0.30 0.00 -1.33 0.00 0.00 58.87 53.62 2ysm n SER 109 Cb 0.60 -0.55 0.05 0.00 -0.75 0.00 0.00 64.21 63.56 2ysm n SER 109 CO 0.00 0.00 0.00 -0.24 -1.23 0.00 0.00 175.04 173.57 2ysm n SER 110 N -0.69 6.35 0.00 -3.46 2.88 -1.26 -5.20 113.62 112.23 2ysm n SER 110 Ca 0.48 -3.77 0.11 0.00 -1.33 0.00 0.00 58.87 54.35 2ysm n SER 110 Cb 0.79 -0.69 0.63 0.00 -0.75 0.00 0.00 64.21 64.19 2ysm n SER 110 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42