#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 5.50 -0.47 1.61 1.04 -1.26 -5.06 113.70 115.07 2ysm s SER 2 Ca 0.00 0.02 0.03 0.00 0.48 0.00 0.00 55.95 56.48 2ysm s SER 2 Cb 0.00 -1.95 0.13 0.00 0.10 0.00 0.00 66.02 64.30 2ysm s SER 2 CO 0.00 0.14 0.24 -0.55 0.98 0.00 0.00 173.24 174.05 2ysm s SER 3 N 0.60 3.91 -0.29 7.02 0.15 -1.26 -5.03 113.70 118.80 2ysm s SER 3 Ca 0.03 -2.76 0.04 0.00 0.70 0.00 0.00 55.95 53.96 2ysm s SER 3 Cb -0.13 -1.27 0.20 0.00 -1.71 0.00 0.00 66.02 63.11 2ysm s SER 3 CO 0.01 -0.26 0.65 -0.83 1.20 0.00 0.00 173.24 174.02 2ysm s GLY 4 N 0.13 -1.22 -0.28 9.45 0.00 -1.26 -5.15 107.32 108.99 2ysm s GLY 4 Ca 0.17 1.21 -0.19 0.00 0.00 0.00 0.00 44.72 45.91 2ysm s GLY 4 CO 0.00 3.75 0.79 -0.45 0.00 0.00 0.00 173.10 177.19 2ysm s SER 5 N 2.85 -0.77 0.24 1.64 0.15 -1.26 -4.98 113.70 111.57 2ysm s SER 5 Ca 0.12 1.30 -0.02 0.00 0.70 0.00 0.00 55.95 58.05 2ysm s SER 5 Cb -0.09 1.32 -0.03 0.00 -1.71 0.00 0.00 66.02 65.51 2ysm s SER 5 CO -0.26 -0.21 0.26 -0.44 1.20 0.00 0.00 173.24 173.79 2ysm s SER 6 N 1.19 0.43 -0.04 5.45 0.01 -1.26 -5.08 113.70 114.40 2ysm s SER 6 Ca -0.07 -1.37 -0.03 0.00 1.31 0.00 0.00 55.95 55.80 2ysm s SER 6 Cb -0.05 0.48 -0.01 0.00 0.21 0.00 0.00 66.02 66.65 2ysm s SER 6 CO -0.13 -0.98 0.17 1.23 0.41 0.00 0.00 173.24 173.94 2ysm h GLY 7 N 2.42 -0.10 -7.28 3.44 0.00 -2.03 -3.41 103.07 96.11 2ysm h GLY 7 Ca -0.31 0.04 -0.47 0.00 0.00 0.00 0.00 47.33 46.58 2ysm h GLY 7 CO 0.45 -0.04 1.15 0.00 0.00 0.00 0.00 176.54 178.11 2ysm s ALA 8 N -3.01 2.28 0.15 3.60 0.00 -1.26 -4.97 121.76 118.54 2ysm s ALA 8 Ca -0.01 -1.48 0.01 0.00 0.00 0.00 0.00 51.96 50.48 2ysm s ALA 8 Cb 0.00 -4.43 -0.04 0.00 0.00 0.00 0.00 23.12 18.65 2ysm s ALA 8 CO 0.04 -3.98 0.30 0.54 0.00 0.00 0.00 175.76 172.66 2ysm s ASN 9 N 6.38 6.36 0.10 0.00 4.22 -1.26 -4.81 114.94 125.92 2ysm s ASN 9 Ca 0.56 0.26 -0.31 0.00 -2.14 0.00 0.00 52.86 51.23 2ysm s ASN 9 Cb -0.07 -1.95 -0.10 0.00 1.28 0.00 0.00 41.25 40.42 2ysm s ASN 9 CO 0.05 0.05 1.86 0.00 -2.04 0.00 0.00 177.10 177.02 2ysm n ALA 11 N 6.23 2.20 -0.03 0.00 0.00 -1.09 0.13 120.51 127.95 2ysm n ALA 11 Ca 0.18 -0.05 -0.07 0.00 0.00 0.00 0.00 53.44 53.50 2ysm n ALA 11 Cb 0.39 -1.14 -0.02 0.00 0.00 0.00 0.00 19.45 18.68 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 -0.71 0.35 -0.02 0.00 0.31 -1.26 -4.82 118.33 112.18 2ysm n VAL 12 Ca 0.07 -0.09 0.05 0.00 -0.01 0.00 0.00 64.34 64.35 2ysm n VAL 12 Cb 0.03 -1.54 -0.11 0.00 -0.91 0.00 0.00 33.84 31.31 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 -2.07 -3.12 -3.82 0.00 8.00 0.35 -4.93 116.55 110.96 2ysm n ASP 14 Ca -0.06 -0.49 -0.12 0.00 0.71 0.00 0.00 54.79 54.83 2ysm n ASP 14 Cb 0.45 -4.05 -0.13 0.00 -0.02 0.00 0.00 41.12 37.37 2ysm n ASP 14 CO 0.00 0.00 0.00 -0.44 -0.39 0.00 0.00 177.20 176.37 2ysm s SER 15 N -3.81 -0.12 -0.02 -2.24 0.01 -1.26 -4.73 113.70 101.53 2ysm s SER 15 Ca 0.11 0.24 -0.24 0.00 1.31 0.00 0.00 55.95 57.36 2ysm s SER 15 Cb -0.01 0.23 -0.18 0.00 0.21 0.00 0.00 66.02 66.27 2ysm s SER 15 CO 0.56 -0.05 1.14 1.55 0.41 0.00 0.00 173.24 176.85 2ysm h PRO 16 N 6.08 -0.18 0.00 12.44 0.13 -1.94 -3.27 132.00 145.27 2ysm h PRO 16 Ca -0.27 0.01 0.00 0.00 -0.87 0.00 0.00 66.00 64.88 2ysm h PRO 16 Cb 1.20 0.04 0.00 0.00 0.13 0.00 0.00 31.00 32.37 2ysm h PRO 16 CO 0.44 0.24 0.00 0.41 -0.23 0.00 0.00 178.00 178.86 2ysm n GLY 17 N 0.17 1.27 3.66 1.56 0.00 -1.26 -3.97 105.19 106.63 2ysm n GLY 17 Ca -0.09 0.43 -0.35 0.00 0.00 0.00 0.00 46.02 46.02 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 -2.81 5.83 -0.13 1.61 1.01 -1.26 -4.98 116.67 115.93 2ysm s ASP 18 Ca 0.00 0.13 0.15 0.00 0.71 0.00 0.00 52.55 53.54 2ysm s ASP 18 Cb 0.00 -2.01 -0.24 0.00 1.01 0.00 0.00 42.92 41.68 2ysm s ASP 18 CO 0.00 0.17 0.32 0.18 0.21 0.00 0.00 175.17 176.05 2ysm n LEU 19 N 3.56 0.49 0.14 1.23 7.99 -1.25 -4.20 117.00 124.96 2ysm n LEU 19 Ca -0.16 0.17 0.09 0.00 -0.01 0.00 0.00 56.01 56.10 2ysm n LEU 19 Cb 0.52 0.29 0.59 0.00 -0.11 0.00 0.00 43.42 44.71 2ysm n LEU 19 CO 0.36 0.47 1.12 -0.07 -1.51 0.00 0.00 177.39 177.76 2ysm h LEU 20 N 0.00 0.13 -3.99 2.23 3.38 -1.94 -1.30 115.31 113.82 2ysm h LEU 20 Ca -0.44 -0.00 -0.63 0.00 0.09 0.00 0.00 57.88 56.90 2ysm h LEU 20 Cb 2.14 -0.03 -0.29 0.00 0.09 0.00 0.00 40.66 42.56 2ysm h LEU 20 CO 0.05 0.09 0.81 0.47 0.09 0.00 0.00 178.44 179.95 2ysm n ASP 21 N -4.50 6.54 -4.16 -0.43 8.00 -1.26 -4.89 116.55 115.86 2ysm n ASP 21 Ca 0.01 -3.73 -0.34 0.00 0.71 0.00 0.00 54.79 51.45 2ysm n ASP 21 Cb 0.18 -0.94 -0.15 0.00 -0.02 0.00 0.00 41.12 40.19 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 -3.66 2.84 0.61 -1.24 -0.21 -0.49 -3.20 119.66 114.31 2ysm s GLN 22 Ca 0.62 -0.96 -0.18 0.00 0.02 0.00 0.00 55.36 54.87 2ysm s GLN 22 Cb 0.50 -2.83 -0.03 0.00 1.00 0.00 0.00 33.01 31.66 2ysm s GLN 22 CO 0.03 -0.34 1.19 -0.06 -2.12 0.00 0.00 175.29 173.98 2ysm s PHE 23 N 1.29 2.41 -0.19 0.91 0.08 0.61 -4.74 117.98 118.34 2ysm s PHE 23 Ca 0.01 1.53 0.01 0.00 0.12 0.00 0.00 56.93 58.60 2ysm s PHE 23 Cb -0.16 -3.42 0.04 0.00 -0.57 0.00 0.00 43.02 38.91 2ysm s PHE 23 CO -0.07 -2.12 -0.10 0.12 -0.10 0.00 0.00 175.22 172.95 2ysm s PHE 24 N -1.74 2.30 0.60 0.36 2.19 -1.26 -2.99 117.98 117.43 2ysm s PHE 24 Ca 0.75 -1.50 -0.14 0.00 0.33 0.00 0.00 56.93 56.37 2ysm s PHE 24 Cb -0.28 -1.59 -0.04 0.00 -1.31 0.00 0.00 43.02 39.80 2ysm s PHE 24 CO 0.34 -0.72 1.04 0.00 1.83 0.00 0.00 175.22 177.71 2ysm n THR 26 N -2.20 1.46 0.05 0.00 -2.24 -1.22 -3.32 114.28 106.80 2ysm n THR 26 Ca 0.08 -0.78 -0.02 0.00 -2.27 0.00 0.00 64.05 61.06 2ysm n THR 26 Cb 0.53 -0.80 -0.01 0.00 -2.10 0.00 0.00 70.33 67.96 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 0.07 4.28 2.02 -1.94 -3.40 112.91 113.94 2ysm h THR 27 Ca -0.52 -0.19 -0.20 0.00 0.77 0.00 0.00 66.41 66.28 2ysm h THR 27 Cb 2.14 0.00 -0.00 0.00 -1.74 0.00 0.00 68.15 68.54 2ysm h THR 27 CO 0.01 0.00 -1.01 0.00 0.37 0.00 0.00 175.52 174.90 2ysm n GLY 29 N 1.64 0.79 4.03 0.00 0.00 -1.21 -5.02 105.19 105.42 2ysm n GLY 29 Ca -0.22 -0.29 -0.20 0.00 0.00 0.00 0.00 46.02 45.31 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 -2.01 2.18 0.01 1.61 -1.52 -1.26 -4.76 119.66 113.90 2ysm s GLN 30 Ca 0.00 -1.57 0.07 0.00 -1.95 0.00 0.00 55.36 51.91 2ysm s GLN 30 Cb 0.00 -2.59 -0.02 0.00 -0.22 0.00 0.00 33.01 30.18 2ysm s GLN 30 CO 0.00 -0.98 -0.23 -1.01 -0.25 0.00 0.00 175.29 172.82 2ysm s HIS 31 N -2.76 2.03 -0.05 0.91 3.76 -1.26 -2.98 115.29 114.95 2ysm s HIS 31 Ca 0.63 -0.39 -0.10 0.00 -0.15 0.00 0.00 55.06 55.06 2ysm s HIS 31 Cb -0.05 -1.27 0.02 0.00 1.11 0.00 0.00 32.58 32.38 2ysm s HIS 31 CO 0.40 0.02 0.23 0.71 -0.85 0.00 0.00 174.74 175.25 2ysm s TYR 32 N -0.63 -0.17 0.63 1.40 2.02 -1.16 -2.68 117.35 116.76 2ysm s TYR 32 Ca 0.09 0.37 -0.10 0.00 -0.37 0.00 0.00 57.07 57.06 2ysm s TYR 32 Cb -0.09 0.06 -0.02 0.00 -0.40 0.00 0.00 41.96 41.51 2ysm s TYR 32 CO 0.00 -0.23 1.01 -1.01 -1.57 0.00 0.00 175.55 173.76 2ysm s HIS 33 N -0.58 3.51 0.14 2.71 3.76 -1.26 -0.28 115.29 123.28 2ysm s HIS 33 Ca -0.07 1.12 0.11 0.00 -0.15 0.00 0.00 55.06 56.07 2ysm s HIS 33 Cb -0.04 -2.77 0.14 0.00 1.11 0.00 0.00 32.58 31.02 2ysm s HIS 33 CO 0.02 -0.79 1.48 0.78 -0.85 0.00 0.00 174.74 175.37 2ysm h GLY 34 N -0.34 0.00 0.38 -2.22 0.00 -1.81 -3.18 103.07 95.89 2ysm h GLY 34 Ca -0.45 0.00 -0.28 0.00 0.00 0.00 0.00 47.33 46.61 2ysm h GLY 34 CO 0.62 0.00 -1.48 1.98 0.00 0.00 0.00 176.54 177.67 2ysm h MET 35 N 0.00 0.16 -1.00 4.80 1.85 -1.91 1.21 114.93 120.04 2ysm h MET 35 Ca -0.01 -0.28 0.22 0.00 -0.61 0.00 0.00 59.70 59.02 2ysm h MET 35 Cb 1.37 0.10 -0.11 0.00 0.43 0.00 0.00 31.60 33.39 2ysm h MET 35 CO 0.09 1.13 0.61 0.00 -0.40 0.00 0.00 176.91 178.35 2ysm n LEU 37 N -4.78 3.75 -3.48 0.00 4.77 -1.20 -4.95 117.00 111.11 2ysm n LEU 37 Ca 0.25 -1.90 -0.25 0.00 -0.03 0.00 0.00 56.01 54.07 2ysm n LEU 37 Cb 0.67 -0.41 0.01 0.00 -2.33 0.00 0.00 43.42 41.36 2ysm n LEU 37 CO 0.20 0.91 0.02 0.47 -1.33 0.00 0.00 177.39 177.66 2ysm n ASP 38 N 1.50 -4.57 -4.88 -1.43 8.00 0.16 -4.95 116.55 110.37 2ysm n ASP 38 Ca 0.22 -0.50 -0.33 0.00 0.71 0.00 0.00 54.79 54.89 2ysm n ASP 38 Cb 0.60 -3.71 -0.05 0.00 -0.02 0.00 0.00 41.12 37.93 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 -3.10 5.26 -0.62 0.53 1.01 0.42 -4.97 121.20 119.72 2ysm s ILE 39 Ca 0.47 -0.25 -0.17 0.00 0.00 0.00 0.00 60.65 60.70 2ysm s ILE 39 Cb -0.24 -3.46 0.13 0.00 0.01 0.00 0.00 42.46 38.91 2ysm s ILE 39 CO 0.58 0.31 0.64 0.00 0.00 0.00 0.00 174.94 176.46 2ysm s ALA 40 N -1.32 3.63 -0.17 9.38 0.00 -1.26 -4.37 121.76 127.65 2ysm s ALA 40 Ca 0.27 -2.57 -0.39 0.00 0.00 0.00 0.00 51.96 49.27 2ysm s ALA 40 Cb -0.13 -3.43 -0.16 0.00 0.00 0.00 0.00 23.12 19.40 2ysm s ALA 40 CO 0.19 -2.22 1.62 0.28 0.00 0.00 0.00 175.76 175.63 2ysm n VAL 41 N 5.16 0.21 -4.04 0.00 0.31 -1.26 -4.96 118.33 113.76 2ysm n VAL 41 Ca -0.07 -0.04 -0.08 0.00 -0.01 0.00 0.00 64.34 64.14 2ysm n VAL 41 Cb 0.42 -1.09 -0.10 0.00 -0.91 0.00 0.00 33.84 32.15 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 2.59 0.20 -2.00 2.52 -4.23 -1.26 -5.02 115.64 108.43 2ysm s THR 42 Ca 0.94 -1.38 0.00 0.00 -1.18 0.00 0.00 61.69 60.07 2ysm s THR 42 Cb -1.04 -0.93 0.01 0.00 1.34 0.00 0.00 72.50 71.89 2ysm s THR 42 CO 0.60 -0.75 0.51 -0.81 -0.54 0.00 0.00 174.62 173.63 2ysm n PRO 43 N 0.82 0.49 -0.12 3.99 -0.04 -1.26 -2.87 135.00 136.01 2ysm n PRO 43 Ca -0.19 0.00 -0.23 0.00 -0.04 0.00 0.00 63.50 63.04 2ysm n PRO 43 Cb 0.58 -1.01 -0.09 0.00 -0.04 0.00 0.00 33.50 32.94 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 -0.51 2.04 0.05 1.53 -0.00 -1.26 -4.63 117.00 114.22 2ysm n LEU 44 Ca 0.00 0.19 -0.12 0.00 -0.00 0.00 0.00 56.01 56.08 2ysm n LEU 44 Cb 0.00 -0.73 -0.09 0.00 -0.00 0.00 0.00 43.42 42.60 2ysm n LEU 44 CO 0.00 0.60 0.54 0.11 -0.00 0.00 0.00 177.39 178.65 2ysm h LYS 45 N -0.64 -0.16 -0.52 1.96 1.57 -1.69 -3.20 116.57 113.88 2ysm h LYS 45 Ca -0.59 0.01 0.22 0.00 -1.87 0.00 0.00 60.65 58.42 2ysm h LYS 45 Cb 1.60 0.04 -0.09 0.00 0.08 0.00 0.00 32.23 33.86 2ysm h LYS 45 CO -0.30 0.27 0.28 0.54 -0.57 0.00 0.00 179.45 179.66 2ysm n ARG 46 N -4.94 -0.03 -2.39 3.15 1.74 -1.15 -1.98 116.66 111.05 2ysm n ARG 46 Ca -0.09 0.72 -0.39 0.00 -0.77 0.00 0.00 57.85 57.33 2ysm n ARG 46 Cb 0.26 -1.30 -0.03 0.00 -1.02 0.00 0.00 32.46 30.37 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 -4.81 2.52 -1.11 7.54 0.00 -1.21 -3.87 121.76 120.82 2ysm s ALA 47 Ca -0.05 -1.34 -0.02 0.00 0.00 0.00 0.00 51.96 50.56 2ysm s ALA 47 Cb 0.18 -4.33 -0.02 0.00 0.00 0.00 0.00 23.12 18.94 2ysm s ALA 47 CO 0.41 -3.60 0.94 0.41 0.00 0.00 0.00 175.76 173.91 2ysm n GLY 48 N 5.80 -0.56 3.79 0.00 0.00 -1.22 -4.98 105.19 108.01 2ysm n GLY 48 Ca 0.15 0.22 -0.31 0.00 0.00 0.00 0.00 46.02 46.08 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 -3.36 2.77 -0.00 1.61 -0.00 -0.84 -4.93 118.94 114.20 2ysm s TRP 49 Ca 0.14 1.51 0.05 0.00 -0.00 0.00 0.00 56.10 57.80 2ysm s TRP 49 Cb -0.02 -3.00 -0.01 0.00 -0.00 0.00 0.00 33.47 30.43 2ysm s TRP 49 CO 0.71 -1.58 -0.16 -0.65 -0.00 0.00 0.00 176.95 175.27 2ysm s GLN 50 N -4.83 1.24 0.42 5.86 -0.21 -1.26 -3.44 119.66 117.44 2ysm s GLN 50 Ca 0.61 -0.61 -0.07 0.00 0.02 0.00 0.00 55.36 55.31 2ysm s GLN 50 Cb -0.16 -1.21 -0.05 0.00 1.00 0.00 0.00 33.01 32.59 2ysm s GLN 50 CO 0.53 0.33 0.74 0.00 -2.12 0.00 0.00 175.29 174.78 2ysm n PRO 52 N -1.72 0.36 0.02 0.00 -0.04 -1.26 0.32 135.00 132.68 2ysm n PRO 52 Ca 0.01 0.07 0.11 0.00 -0.04 0.00 0.00 63.50 63.64 2ysm n PRO 52 Cb 0.55 -1.50 -0.11 0.00 -0.04 0.00 0.00 33.50 32.39 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 -1.13 0.54 -0.01 0.54 1.02 -1.26 -4.62 120.64 115.72 2ysm n GLU 53 Ca 0.10 -0.10 -0.01 0.00 -0.02 0.00 0.00 57.16 57.12 2ysm n GLU 53 Cb 0.08 -1.58 -0.01 0.00 -0.02 0.00 0.00 31.44 29.92 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 -2.74 0.00 -4.10 0.00 2.85 0.15 -4.96 118.16 109.35 2ysm n LYS 55 Ca -0.03 0.00 -0.13 0.00 -1.05 0.00 0.00 58.31 57.09 2ysm n LYS 55 Cb 0.53 -0.52 -0.06 0.00 -0.65 0.00 0.00 35.03 34.34 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 -0.66 0.00 0.50 0.58 -7.23 -1.26 -4.97 120.40 107.35 2ysm s VAL 56 Ca 0.32 -1.66 -0.21 0.00 -1.81 0.00 0.00 61.98 58.62 2ysm s VAL 56 Cb -0.42 -2.51 -0.07 0.00 0.56 0.00 0.00 36.38 33.94 2ysm s VAL 56 CO 0.30 0.00 1.09 0.00 -0.31 0.00 0.00 175.10 176.18 2ysm n GLN 58 N -0.95 2.81 0.03 0.00 1.13 -1.23 -2.65 117.38 116.52 2ysm n GLN 58 Ca 0.10 -0.02 -0.12 0.00 -1.94 0.00 0.00 57.00 55.02 2ysm n GLN 58 Cb 0.51 -1.07 -0.14 0.00 0.11 0.00 0.00 30.24 29.65 2ysm n GLN 58 CO 0.00 0.00 0.00 -0.97 -1.44 0.00 0.00 177.06 174.65 2ysm h ASN 59 N 0.00 0.18 0.00 1.08 -0.73 -1.89 -3.40 115.58 110.83 2ysm h ASN 59 Ca 0.00 -0.28 0.00 0.00 1.87 0.00 0.00 56.30 57.89 2ysm h ASN 59 Cb 0.31 -0.06 0.00 0.00 0.27 0.00 0.00 38.32 38.84 2ysm h ASN 59 CO 0.00 1.24 -0.87 0.00 -0.37 0.00 0.00 177.43 177.43 2ysm n LYS 61 N -1.40 -3.81 -3.71 0.00 4.76 -1.09 -5.04 118.16 107.87 2ysm n LYS 61 Ca 0.00 0.72 -0.12 0.00 -2.87 0.00 0.00 58.31 56.04 2ysm n LYS 61 Cb 0.08 -5.25 -0.13 0.00 -1.84 0.00 0.00 35.03 27.89 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 -4.68 0.22 -0.23 1.97 -2.07 -1.26 -4.94 119.66 108.67 2ysm s GLN 62 Ca 0.19 0.60 -0.12 0.00 -1.82 0.00 0.00 55.36 54.20 2ysm s GLN 62 Cb -0.02 -0.09 -0.05 0.00 -1.09 0.00 0.00 33.01 31.75 2ysm s GLN 62 CO 0.62 -0.18 0.22 -1.54 -1.32 0.00 0.00 175.29 173.09 2ysm s SER 63 N 1.44 6.19 0.00 12.60 1.04 -1.26 -4.16 113.70 129.55 2ysm s SER 63 Ca -0.08 0.21 0.00 0.00 0.48 0.00 0.00 55.95 56.56 2ysm s SER 63 Cb -0.10 -2.14 0.00 0.00 0.10 0.00 0.00 66.02 63.88 2ysm s SER 63 CO -0.09 0.02 0.00 0.61 0.98 0.00 0.00 173.24 174.76 2ysm n GLY 64 N 4.23 -2.01 3.56 7.32 0.00 -1.26 -5.08 105.19 111.94 2ysm n GLY 64 Ca -0.13 0.59 -0.42 0.00 0.00 0.00 0.00 46.02 46.06 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 -0.85 3.37 -0.15 1.61 0.41 -1.26 -4.87 118.70 116.95 2ysm s GLU 65 Ca 0.00 -0.03 -0.27 0.00 -0.41 0.00 0.00 54.97 54.26 2ysm s GLU 65 Cb 0.00 -4.08 -0.24 0.00 -1.78 0.00 0.00 34.13 28.03 2ysm s GLU 65 CO 0.00 -1.79 0.65 0.38 -0.49 0.00 0.00 175.26 174.01 2ysm h ASP 66 N 9.64 0.00 -0.69 -0.19 2.03 -1.98 -3.36 116.42 121.88 2ysm h ASP 66 Ca -0.26 -0.89 0.10 0.00 -0.73 0.00 0.00 57.03 55.25 2ysm h ASP 66 Cb 1.06 0.00 -0.08 0.00 -0.83 0.00 0.00 39.33 39.48 2ysm h ASP 66 CO 1.20 1.10 0.30 0.77 -1.03 0.00 0.00 179.24 181.58 2ysm h SER 67 N -1.00 0.34 -0.17 4.15 4.64 -2.05 -0.91 113.55 118.55 2ysm h SER 67 Ca -0.07 0.08 -0.12 0.00 -0.47 0.00 0.00 61.79 61.21 2ysm h SER 67 Cb 1.06 0.03 -0.05 0.00 -0.31 0.00 0.00 62.40 63.13 2ysm h SER 67 CO -0.04 0.18 0.13 0.29 -0.87 0.00 0.00 176.83 176.52 2ysm n LYS 68 N -4.94 1.30 -4.36 4.77 5.02 -1.26 -4.81 118.16 113.89 2ysm n LYS 68 Ca 0.11 -0.57 -0.19 0.00 -2.02 0.00 0.00 58.31 55.65 2ysm n LYS 68 Cb 0.31 -1.24 -0.15 0.00 -0.02 0.00 0.00 35.03 33.93 2ysm n LYS 68 CO 0.00 0.00 0.00 1.41 -0.52 0.00 0.00 177.40 178.29 2ysm s MET 69 N -0.60 0.74 -0.09 1.97 1.75 -0.35 -1.90 119.30 120.82 2ysm s MET 69 Ca 0.12 -0.31 -0.01 0.00 -1.25 0.00 0.00 55.69 54.24 2ysm s MET 69 Cb 0.09 -0.71 -0.03 0.00 2.84 0.00 0.00 34.83 37.02 2ysm s MET 69 CO -0.00 0.18 -0.02 -0.51 -0.65 0.00 0.00 175.02 174.02 2ysm s LEU 70 N -0.17 3.42 -0.24 4.11 1.43 -0.60 -4.90 118.68 121.73 2ysm s LEU 70 Ca 0.03 0.06 -0.05 0.00 -1.03 0.00 0.00 54.13 53.14 2ysm s LEU 70 Cb -0.04 -1.78 -0.01 0.00 0.03 0.00 0.00 46.19 44.40 2ysm s LEU 70 CO -0.00 0.35 -0.01 -0.69 0.23 0.00 0.00 176.35 176.23 2ysm s VAL 71 N -0.71 3.60 0.07 -1.59 1.01 -1.26 -1.65 120.40 119.87 2ysm s VAL 71 Ca 0.11 -0.49 -0.31 0.00 0.00 0.00 0.00 61.98 61.29 2ysm s VAL 71 Cb -0.12 -2.69 -0.07 0.00 0.00 0.00 0.00 36.38 33.50 2ysm s VAL 71 CO 0.02 0.35 1.41 0.00 0.00 0.00 0.00 175.10 176.88 2ysm n ASP 73 N 4.56 2.12 0.04 0.00 8.00 -1.21 -1.32 116.55 128.74 2ysm n ASP 73 Ca 0.12 -2.12 0.00 0.00 0.71 0.00 0.00 54.79 53.50 2ysm n ASP 73 Cb 0.43 -0.52 0.00 0.00 -0.02 0.00 0.00 41.12 41.00 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 0.17 0.16 -0.05 -3.53 -1.04 -1.26 -4.92 114.28 103.81 2ysm n THR 74 Ca 0.04 0.05 -0.02 0.00 -2.04 0.00 0.00 64.05 62.08 2ysm n THR 74 Cb 0.45 -0.90 -0.12 0.00 -1.82 0.00 0.00 70.33 67.94 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 -2.38 -2.93 -4.29 0.00 2.03 -0.43 -4.79 116.55 103.75 2ysm n ASP 76 Ca -0.17 -0.20 -0.43 0.00 0.52 0.00 0.00 54.79 54.51 2ysm n ASP 76 Cb 0.80 -2.12 -0.08 0.00 -0.72 0.00 0.00 41.12 39.00 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 -5.07 2.73 0.24 -0.67 1.02 -1.26 -4.78 119.74 111.95 2ysm s LYS 77 Ca 0.12 -1.57 -0.31 0.00 0.02 0.00 0.00 55.97 54.23 2ysm s LYS 77 Cb -0.05 -4.01 -0.14 0.00 -0.52 0.00 0.00 37.83 33.11 2ysm s LYS 77 CO 0.26 -1.12 1.35 0.41 -0.92 0.00 0.00 175.35 175.33 2ysm n GLY 78 N 5.05 0.61 2.88 -3.33 0.00 -1.26 -4.25 105.19 104.89 2ysm n GLY 78 Ca -0.11 0.48 -0.15 0.00 0.00 0.00 0.00 46.02 46.24 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 -0.22 -0.43 0.30 1.61 2.02 -0.66 -3.50 117.35 116.47 2ysm s TYR 79 Ca 0.67 0.63 -0.30 0.00 -0.37 0.00 0.00 57.07 57.70 2ysm s TYR 79 Cb -0.67 -0.16 -0.12 0.00 -0.40 0.00 0.00 41.96 40.60 2ysm s TYR 79 CO 0.52 -0.53 1.47 0.72 -1.57 0.00 0.00 175.55 176.16 2ysm n HIS 80 N 5.34 2.61 -0.34 2.71 8.25 -1.26 -1.56 115.22 130.97 2ysm n HIS 80 Ca -0.05 0.39 0.20 0.00 -0.26 0.00 0.00 57.72 58.00 2ysm n HIS 80 Cb 0.50 -2.52 0.43 0.00 1.12 0.00 0.00 29.99 29.52 2ysm n HIS 80 CO 0.00 0.00 0.00 1.79 0.64 0.00 0.00 176.34 178.77 2ysm h THR 81 N 3.05 0.46 0.00 1.59 1.35 -1.70 0.91 112.91 118.57 2ysm h THR 81 Ca -0.47 -0.17 -0.08 0.00 -0.55 0.00 0.00 66.41 65.15 2ysm h THR 81 Cb 1.25 -0.06 -0.01 0.00 -1.73 0.00 0.00 68.15 67.60 2ysm h THR 81 CO 0.73 0.09 -0.36 2.19 -0.25 0.00 0.00 175.52 177.91 2ysm h PHE 82 N 0.48 0.00 -0.20 4.73 -5.15 -1.83 0.22 116.94 115.19 2ysm h PHE 82 Ca 0.67 0.00 -0.07 0.00 -0.20 0.00 0.00 57.97 58.37 2ysm h PHE 82 Cb 1.41 0.00 -0.04 0.00 0.22 0.00 0.00 35.95 37.54 2ysm h PHE 82 CO -0.01 0.36 0.08 0.00 -2.00 0.00 0.00 178.31 176.75 2ysm s LEU 84 N -0.78 2.08 -0.28 0.00 1.43 -1.14 -4.74 118.68 115.25 2ysm s LEU 84 Ca 0.14 -0.46 0.03 0.00 -1.03 0.00 0.00 54.13 52.82 2ysm s LEU 84 Cb 0.12 -1.17 0.07 0.00 0.03 0.00 0.00 46.19 45.23 2ysm s LEU 84 CO 0.03 0.26 -0.07 -1.10 0.23 0.00 0.00 176.35 175.71 2ysm s GLN 85 N -0.73 2.10 1.09 1.70 -1.52 -1.26 0.42 119.66 121.44 2ysm s GLN 85 Ca 0.09 -1.45 -0.15 0.00 -1.95 0.00 0.00 55.36 51.90 2ysm s GLN 85 Cb -0.09 -2.97 0.23 0.00 -0.22 0.00 0.00 33.01 29.96 2ysm s GLN 85 CO -0.00 -0.65 1.10 -1.25 -0.25 0.00 0.00 175.29 174.24 2ysm s PRO 86 N 1.07 -0.27 0.39 2.91 0.04 -1.26 -5.13 135.00 132.75 2ysm s PRO 86 Ca -0.05 0.28 -0.22 0.00 0.04 0.00 0.00 61.00 61.05 2ysm s PRO 86 Cb -0.20 -1.68 -0.11 0.00 0.04 0.00 0.00 34.50 32.56 2ysm s PRO 86 CO -0.05 -3.15 0.93 0.08 0.04 0.00 0.00 177.00 174.85 2ysm s VAL 87 N -2.98 4.36 0.24 -0.36 1.01 0.17 -5.01 120.40 117.82 2ysm s VAL 87 Ca 0.68 1.55 -0.14 0.00 0.00 0.00 0.00 61.98 64.07 2ysm s VAL 87 Cb -0.15 -3.71 -0.08 0.00 0.00 0.00 0.00 36.38 32.44 2ysm s VAL 87 CO 0.57 -0.18 0.63 -0.04 0.00 0.00 0.00 175.10 176.08 2ysm s MET 88 N -2.85 3.97 -0.24 2.72 -1.94 0.76 -4.99 119.30 116.73 2ysm s MET 88 Ca 0.58 0.53 -0.02 0.00 -1.71 0.00 0.00 55.69 55.07 2ysm s MET 88 Cb -0.12 -2.69 -0.14 0.00 2.01 0.00 0.00 34.83 33.89 2ysm s MET 88 CO 0.16 0.32 -0.24 1.63 -0.01 0.00 0.00 175.02 176.88 2ysm n LYS 89 N 0.15 0.58 -4.38 2.03 4.76 -1.26 -4.54 118.16 115.49 2ysm n LYS 89 Ca -0.00 0.16 -0.19 0.00 -2.87 0.00 0.00 58.31 55.40 2ysm n LYS 89 Cb 0.52 -1.46 -0.10 0.00 -1.84 0.00 0.00 35.03 32.15 2ysm n LYS 89 CO 0.00 0.00 0.00 -1.54 -1.37 0.00 0.00 177.40 174.49 2ysm s SER 90 N -6.55 1.79 -0.22 4.39 1.04 -1.26 -5.14 113.70 107.75 2ysm s SER 90 Ca -0.33 -1.42 -0.15 0.00 0.48 0.00 0.00 55.95 54.53 2ysm s SER 90 Cb 0.10 0.12 -0.04 0.00 0.10 0.00 0.00 66.02 66.29 2ysm s SER 90 CO 0.52 -0.71 0.35 -0.69 0.98 0.00 0.00 173.24 173.69 2ysm s VAL 91 N -3.53 5.22 0.85 5.02 1.01 -1.26 -5.08 120.40 122.64 2ysm s VAL 91 Ca 0.36 0.59 -0.11 0.00 0.00 0.00 0.00 61.98 62.81 2ysm s VAL 91 Cb 0.08 -3.68 0.10 0.00 0.00 0.00 0.00 36.38 32.88 2ysm s VAL 91 CO 0.15 0.25 1.09 -2.16 0.00 0.00 0.00 175.10 174.43 2ysm s PRO 92 N 1.43 1.62 0.00 2.72 0.04 -1.26 -5.02 135.00 134.53 2ysm s PRO 92 Ca 0.16 0.94 0.00 0.00 0.04 0.00 0.00 61.00 62.14 2ysm s PRO 92 Cb -0.15 -1.84 0.00 0.00 0.04 0.00 0.00 34.50 32.55 2ysm s PRO 92 CO 0.08 -2.02 0.00 2.41 0.04 0.00 0.00 177.00 177.50 2ysm n THR 93 N -3.75 0.00 -0.14 1.26 -1.04 -1.26 -4.79 114.28 104.56 2ysm n THR 93 Ca 0.08 0.00 -0.05 0.00 -2.04 0.00 0.00 64.05 62.04 2ysm n THR 93 Cb 0.54 -1.12 0.01 0.00 -1.82 0.00 0.00 70.33 67.95 2ysm n THR 93 CO 0.00 0.00 0.00 0.78 -0.64 0.00 0.00 175.07 175.21 2ysm h ASN 94 N 0.00 -0.76 0.00 8.00 4.21 -2.07 -3.45 115.58 121.51 2ysm h ASN 94 Ca 0.00 0.17 0.00 0.00 1.21 0.00 0.00 56.30 57.68 2ysm h ASN 94 Cb 0.93 0.41 0.00 0.00 -1.12 0.00 0.00 38.32 38.54 2ysm h ASN 94 CO 0.00 -0.25 0.00 0.61 -1.29 0.00 0.00 177.43 176.50 2ysm n GLY 95 N -1.40 2.45 3.83 2.83 0.00 -1.26 -5.16 105.19 106.47 2ysm n GLY 95 Ca 0.03 0.21 -0.32 0.00 0.00 0.00 0.00 46.02 45.94 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 0.00 3.35 -0.08 1.61 -0.00 -1.26 -5.05 118.94 117.51 2ysm s TRP 96 Ca 0.00 0.22 -0.04 0.00 -0.00 0.00 0.00 56.10 56.28 2ysm s TRP 96 Cb 0.00 -1.74 0.04 0.00 -0.00 0.00 0.00 33.47 31.77 2ysm s TRP 96 CO 0.00 0.57 0.18 0.21 -0.00 0.00 0.00 176.95 177.91 2ysm s LYS 97 N -2.02 0.13 0.34 5.86 2.20 -1.26 -3.28 119.74 121.71 2ysm s LYS 97 Ca 0.27 0.42 -0.26 0.00 -0.36 0.00 0.00 55.97 56.04 2ysm s LYS 97 Cb -0.12 -0.15 -0.09 0.00 -1.51 0.00 0.00 37.83 35.95 2ysm s LYS 97 CO 0.18 -0.16 1.03 0.00 -0.36 0.00 0.00 175.35 176.04 2ysm h LYS 99 N 3.15 -0.10 -0.99 0.00 3.64 -2.00 0.59 116.57 120.86 2ysm h LYS 99 Ca -0.47 0.01 0.35 0.00 -1.27 0.00 0.00 60.65 59.27 2ysm h LYS 99 Cb 1.21 0.02 -0.11 0.00 -0.41 0.00 0.00 32.23 32.94 2ysm h LYS 99 CO 0.65 -0.07 0.62 -1.71 -2.27 0.00 0.00 179.45 176.67 2ysm n ASN 100 N -5.18 0.18 -0.01 4.20 5.15 -1.26 0.14 115.26 118.47 2ysm n ASN 100 Ca 0.00 1.08 -0.22 0.00 -0.60 0.00 0.00 54.58 54.85 2ysm n ASN 100 Cb 0.27 -0.53 -0.13 0.00 -0.53 0.00 0.00 39.78 38.85 2ysm n ASN 100 CO 0.00 0.00 0.00 0.00 1.40 0.00 0.00 177.26 178.66 2ysm h ARG 102 N -0.22 0.45 -3.73 0.00 3.08 0.40 -3.43 114.38 110.93 2ysm h ARG 102 Ca -0.39 -0.03 -0.54 0.00 0.07 0.00 0.00 59.98 59.10 2ysm h ARG 102 Cb 1.84 -0.10 0.01 0.00 0.08 0.00 0.00 29.97 31.80 2ysm h ARG 102 CO 0.02 0.29 0.36 -0.89 -1.07 0.00 0.00 179.97 178.69 2ysm n ILE 103 N -4.66 0.00 -2.39 2.04 2.08 -0.13 -4.75 119.36 111.54 2ysm n ILE 103 Ca 0.25 0.00 -0.40 0.00 0.56 0.00 0.00 62.75 63.16 2ysm n ILE 103 Cb 0.81 -0.26 -0.03 0.00 -0.75 0.00 0.00 39.64 39.42 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 6.75 2.67 0.27 0.00 2.07 -1.26 -5.02 121.20 126.68 2ysm s ILE 105 Ca 0.46 -1.54 0.01 0.00 -1.41 0.00 0.00 60.65 58.17 2ysm s ILE 105 Cb -0.09 -2.20 0.38 0.00 0.13 0.00 0.00 42.46 40.69 2ysm s ILE 105 CO 0.14 0.13 1.40 -0.24 -1.91 0.00 0.00 174.94 174.45 2ysm n SER 106 N 0.93 -0.13 -1.06 4.50 2.88 -1.26 -4.87 113.62 114.61 2ysm n SER 106 Ca -0.16 1.52 0.12 0.00 -1.33 0.00 0.00 58.87 59.01 2ysm n SER 106 Cb 0.53 -0.54 -0.04 0.00 -0.75 0.00 0.00 64.21 63.41 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 -1.46 -1.55 3.71 0.46 0.00 -1.26 -4.67 105.19 100.41 2ysm n GLY 107 Ca 0.20 -0.68 -0.42 0.00 0.00 0.00 0.00 46.02 45.12 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 -2.89 4.32 0.07 1.61 0.04 -1.26 -4.95 135.00 131.94 2ysm s PRO 108 Ca 0.00 2.03 -0.35 0.00 0.04 0.00 0.00 61.00 62.73 2ysm s PRO 108 Cb 0.00 -3.32 -0.18 0.00 0.04 0.00 0.00 34.50 31.04 2ysm s PRO 108 CO 0.00 -0.45 1.60 0.77 0.04 0.00 0.00 177.00 178.96 2ysm h SER 109 N 7.02 -1.02 -3.07 6.66 0.02 -2.01 -3.43 113.55 117.72 2ysm h SER 109 Ca -0.41 0.05 -0.56 0.00 -0.84 0.00 0.00 61.79 60.03 2ysm h SER 109 Cb 1.20 0.29 -0.03 0.00 0.14 0.00 0.00 62.40 64.01 2ysm h SER 109 CO 0.87 -0.64 -0.30 -0.55 -1.14 0.00 0.00 176.83 175.06 2ysm s SER 110 N -4.31 6.45 0.00 3.07 0.15 -1.26 -5.29 113.70 112.52 2ysm s SER 110 Ca -0.18 0.54 0.29 0.00 0.70 0.00 0.00 55.95 57.30 2ysm s SER 110 Cb 0.04 -2.07 1.25 0.00 -1.71 0.00 0.00 66.02 63.52 2ysm s SER 110 CO 0.61 0.00 1.86 0.61 1.20 0.00 0.00 173.24 177.52