#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2ysm n SER 2 N 0.00 -5.39 -0.09 1.61 7.64 -1.26 -4.93 113.62 111.19 2ysm n SER 2 Ca 0.00 -0.57 -0.22 0.00 1.01 0.00 0.00 58.87 59.09 2ysm n SER 2 Cb 0.00 -4.99 -0.12 0.00 -1.01 0.00 0.00 64.21 58.09 2ysm n SER 2 CO 0.00 0.00 0.00 0.77 -3.01 0.00 0.00 175.04 172.80 2ysm h SER 3 N -2.52 0.04 0.00 6.43 4.64 -2.11 -3.50 113.55 116.54 2ysm h SER 3 Ca -0.58 -0.55 0.00 0.00 -0.47 0.00 0.00 61.79 60.20 2ysm h SER 3 Cb 1.36 -0.01 0.00 0.00 -0.31 0.00 0.00 62.40 63.44 2ysm h SER 3 CO 0.55 1.52 0.00 0.61 -0.87 0.00 0.00 176.83 178.64 2ysm n GLY 4 N 1.48 3.25 3.49 -0.77 0.00 -1.26 -4.06 105.19 107.32 2ysm n GLY 4 Ca -0.32 -0.23 -0.43 0.00 0.00 0.00 0.00 46.02 45.04 2ysm n GLY 4 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 2ysm s SER 5 N -4.00 6.59 -0.07 1.61 0.15 -1.26 -5.00 113.70 111.73 2ysm s SER 5 Ca 0.00 -1.86 -0.05 0.00 0.70 0.00 0.00 55.95 54.75 2ysm s SER 5 Cb 0.00 -2.46 -0.04 0.00 -1.71 0.00 0.00 66.02 61.81 2ysm s SER 5 CO 0.00 -1.21 0.15 -0.44 1.20 0.00 0.00 173.24 172.94 2ysm s SER 6 N 4.09 6.34 -0.18 5.45 0.01 -1.26 -5.09 113.70 123.06 2ysm s SER 6 Ca 0.38 0.40 0.01 0.00 1.31 0.00 0.00 55.95 58.04 2ysm s SER 6 Cb -0.03 -2.02 0.03 0.00 0.21 0.00 0.00 66.02 64.21 2ysm s SER 6 CO -0.09 0.34 -0.15 -0.83 0.41 0.00 0.00 173.24 172.92 2ysm s GLY 7 N -1.45 1.27 -0.55 3.44 0.00 -1.26 -5.09 107.32 103.68 2ysm s GLY 7 Ca 0.21 -1.13 -0.20 0.00 0.00 0.00 0.00 44.72 43.60 2ysm s GLY 7 CO 0.11 0.51 0.71 0.00 0.00 0.00 0.00 173.10 174.43 2ysm s ALA 8 N 1.38 3.34 0.50 3.20 0.00 -1.26 -5.04 121.76 123.89 2ysm s ALA 8 Ca 0.02 -1.86 0.06 0.00 0.00 0.00 0.00 51.96 50.19 2ysm s ALA 8 Cb -0.14 -3.50 0.01 0.00 0.00 0.00 0.00 23.12 19.49 2ysm s ALA 8 CO -0.10 -2.23 0.35 -0.80 0.00 0.00 0.00 175.76 172.97 2ysm s ASN 9 N 3.10 4.65 0.59 0.00 -0.87 -1.26 -4.90 114.94 116.25 2ysm s ASN 9 Ca 0.16 -1.14 -0.18 0.00 -1.57 0.00 0.00 52.86 50.13 2ysm s ASN 9 Cb -0.20 0.09 -0.07 0.00 -0.02 0.00 0.00 41.25 41.04 2ysm s ASN 9 CO 0.11 -0.92 0.63 0.00 -2.57 0.00 0.00 177.10 174.35 2ysm n ALA 11 N -1.75 3.98 -0.10 0.00 0.00 -0.41 -2.63 120.51 119.60 2ysm n ALA 11 Ca 0.12 -0.50 -0.14 0.00 0.00 0.00 0.00 53.44 52.92 2ysm n ALA 11 Cb 0.48 -0.88 -0.05 0.00 0.00 0.00 0.00 19.45 18.99 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 -1.71 1.49 -0.03 0.00 0.31 -1.26 -4.67 118.33 112.46 2ysm n VAL 12 Ca 0.03 0.03 -0.11 0.00 -0.01 0.00 0.00 64.34 64.28 2ysm n VAL 12 Cb 0.39 -2.22 -0.14 0.00 -0.91 0.00 0.00 33.84 30.96 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 -3.07 -2.27 -4.01 0.00 -0.08 -1.08 -5.01 116.55 101.03 2ysm n ASP 14 Ca -0.21 -0.15 -0.09 0.00 -1.51 0.00 0.00 54.79 52.82 2ysm n ASP 14 Cb 1.06 -1.66 -0.11 0.00 2.34 0.00 0.00 41.12 42.75 2ysm n ASP 14 CO 0.00 0.00 0.00 -0.44 0.12 0.00 0.00 177.20 176.88 2ysm s SER 15 N -3.28 0.37 -0.02 1.67 0.01 -1.26 -4.79 113.70 106.40 2ysm s SER 15 Ca 0.04 -0.57 -0.25 0.00 1.31 0.00 0.00 55.95 56.47 2ysm s SER 15 Cb -0.02 0.10 -0.19 0.00 0.21 0.00 0.00 66.02 66.13 2ysm s SER 15 CO 0.18 -0.32 1.19 1.55 0.41 0.00 0.00 173.24 176.25 2ysm h PRO 16 N 4.42 -0.10 0.00 12.44 0.13 -1.95 -2.94 132.00 144.00 2ysm h PRO 16 Ca -0.33 0.01 0.00 0.00 -0.87 0.00 0.00 66.00 64.81 2ysm h PRO 16 Cb 1.20 0.02 0.00 0.00 0.13 0.00 0.00 31.00 32.35 2ysm h PRO 16 CO 0.44 0.35 0.00 0.41 -0.23 0.00 0.00 178.00 178.97 2ysm n GLY 17 N 0.20 1.49 3.73 1.56 0.00 -1.26 -4.08 105.19 106.83 2ysm n GLY 17 Ca -0.09 0.12 -0.38 0.00 0.00 0.00 0.00 46.02 45.68 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 -2.58 6.67 -0.19 1.61 -1.08 -1.26 -4.97 116.67 114.87 2ysm s ASP 18 Ca 0.00 0.80 0.00 0.00 -0.52 0.00 0.00 52.55 52.84 2ysm s ASP 18 Cb 0.00 -2.28 -0.21 0.00 -1.46 0.00 0.00 42.92 38.97 2ysm s ASP 18 CO 0.00 0.02 0.05 0.18 0.52 0.00 0.00 175.17 175.94 2ysm n LEU 19 N 3.60 2.56 0.11 -1.34 4.77 -1.26 -3.96 117.00 121.48 2ysm n LEU 19 Ca -0.08 0.02 -0.13 0.00 -0.03 0.00 0.00 56.01 55.80 2ysm n LEU 19 Cb 0.52 -0.84 -0.08 0.00 -2.33 0.00 0.00 43.42 40.68 2ysm n LEU 19 CO 0.43 0.86 0.56 -0.07 -1.33 0.00 0.00 177.39 177.83 2ysm h LEU 20 N 0.03 -0.25 -0.68 2.23 3.38 -1.95 -3.20 115.31 114.85 2ysm h LEU 20 Ca -0.51 -0.24 0.14 0.00 0.09 0.00 0.00 57.88 57.36 2ysm h LEU 20 Cb 1.98 0.07 -0.10 0.00 0.09 0.00 0.00 40.66 42.70 2ysm h LEU 20 CO -0.01 0.13 0.18 -0.78 0.09 0.00 0.00 178.44 178.06 2ysm h ASP 21 N -0.68 0.06 -4.24 -0.43 1.82 -1.98 -3.41 116.42 107.56 2ysm h ASP 21 Ca -0.03 0.12 -0.51 0.00 -0.39 0.00 0.00 57.03 56.22 2ysm h ASP 21 Cb 0.48 0.16 0.11 0.00 0.68 0.00 0.00 39.33 40.76 2ysm h ASP 21 CO 0.05 0.01 0.36 0.00 -1.61 0.00 0.00 179.24 178.05 2ysm s GLN 22 N -6.07 2.59 0.54 0.28 -2.07 -1.21 -4.47 119.66 109.25 2ysm s GLN 22 Ca -0.13 1.33 0.01 0.00 -1.82 0.00 0.00 55.36 54.75 2ysm s GLN 22 Cb 0.20 -1.93 0.03 0.00 -1.09 0.00 0.00 33.01 30.22 2ysm s GLN 22 CO 0.75 -1.41 0.77 -0.06 -1.32 0.00 0.00 175.29 174.02 2ysm s PHE 23 N -2.51 2.91 -0.18 9.60 0.40 -0.27 -4.89 117.98 123.03 2ysm s PHE 23 Ca 0.65 0.03 -0.03 0.00 -0.60 0.00 0.00 56.93 56.98 2ysm s PHE 23 Cb -0.20 -2.71 0.06 0.00 0.51 0.00 0.00 43.02 40.68 2ysm s PHE 23 CO 0.46 -0.83 0.04 0.12 0.70 0.00 0.00 175.22 175.72 2ysm s PHE 24 N -2.75 0.84 0.77 0.36 2.19 -1.26 -3.25 117.98 114.87 2ysm s PHE 24 Ca 0.56 -0.69 -0.13 0.00 0.33 0.00 0.00 56.93 57.01 2ysm s PHE 24 Cb -0.10 -0.94 0.06 0.00 -1.31 0.00 0.00 43.02 40.72 2ysm s PHE 24 CO 0.39 -0.56 1.16 0.00 1.83 0.00 0.00 175.22 178.03 2ysm n THR 26 N -3.13 1.36 0.09 0.00 -2.24 -1.26 -3.33 114.28 105.77 2ysm n THR 26 Ca 0.12 -0.76 -0.04 0.00 -2.27 0.00 0.00 64.05 61.10 2ysm n THR 26 Cb 0.51 -0.70 -0.02 0.00 -2.10 0.00 0.00 70.33 68.03 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 0.11 4.28 2.02 -1.93 -3.40 112.91 113.99 2ysm h THR 27 Ca -0.54 -0.31 -0.28 0.00 0.77 0.00 0.00 66.41 66.05 2ysm h THR 27 Cb 2.12 0.00 -0.01 0.00 -1.74 0.00 0.00 68.15 68.53 2ysm h THR 27 CO 0.00 0.00 -1.45 0.00 0.37 0.00 0.00 175.52 174.44 2ysm n GLY 29 N 1.75 0.96 3.98 0.00 0.00 -1.21 -5.03 105.19 105.64 2ysm n GLY 29 Ca -0.26 -0.42 -0.21 0.00 0.00 0.00 0.00 46.02 45.13 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 -3.06 2.40 -0.06 1.61 -1.52 -1.26 -4.77 119.66 112.99 2ysm s GLN 30 Ca 0.00 -0.88 0.02 0.00 -1.95 0.00 0.00 55.36 52.55 2ysm s GLN 30 Cb 0.00 -2.47 -0.03 0.00 -0.22 0.00 0.00 33.01 30.29 2ysm s GLN 30 CO 0.00 -0.83 -0.11 -1.01 -0.25 0.00 0.00 175.29 173.09 2ysm s HIS 31 N -2.81 2.80 -0.11 0.91 3.76 -1.26 -3.03 115.29 115.55 2ysm s HIS 31 Ca 0.59 -0.13 -0.04 0.00 -0.15 0.00 0.00 55.06 55.33 2ysm s HIS 31 Cb -0.09 -1.68 0.06 0.00 1.11 0.00 0.00 32.58 31.97 2ysm s HIS 31 CO 0.39 0.21 0.22 0.71 -0.85 0.00 0.00 174.74 175.42 2ysm s TYR 32 N -0.67 -0.32 0.52 1.40 2.02 -1.20 -1.28 117.35 117.82 2ysm s TYR 32 Ca 0.10 0.81 -0.18 0.00 -0.37 0.00 0.00 57.07 57.43 2ysm s TYR 32 Cb -0.11 -0.11 -0.07 0.00 -0.40 0.00 0.00 41.96 41.26 2ysm s TYR 32 CO 0.01 -0.31 1.02 -1.01 -1.57 0.00 0.00 175.55 173.69 2ysm s HIS 33 N 2.24 3.15 0.56 2.71 3.76 -1.26 -1.11 115.29 125.33 2ysm s HIS 33 Ca 0.01 1.54 0.24 0.00 -0.15 0.00 0.00 55.06 56.70 2ysm s HIS 33 Cb -0.12 -2.95 1.59 0.00 1.11 0.00 0.00 32.58 32.21 2ysm s HIS 33 CO -0.07 -0.69 2.21 0.78 -0.85 0.00 0.00 174.74 176.11 2ysm h GLY 34 N 1.13 0.00 0.34 -2.22 0.00 -1.84 -2.42 103.07 98.06 2ysm h GLY 34 Ca -0.48 0.00 -0.26 0.00 0.00 0.00 0.00 47.33 46.59 2ysm h GLY 34 CO 0.59 0.00 -1.40 -0.33 0.00 0.00 0.00 176.54 175.40 2ysm h MET 35 N 0.00 0.15 -0.96 4.80 2.86 -1.92 0.79 114.93 120.64 2ysm h MET 35 Ca -0.00 -0.25 0.22 0.00 -2.06 0.00 0.00 59.70 57.60 2ysm h MET 35 Cb 0.02 0.09 -0.08 0.00 0.06 0.00 0.00 31.60 31.69 2ysm h MET 35 CO 0.00 1.12 0.62 0.00 1.06 0.00 0.00 176.91 179.71 2ysm n LEU 37 N -4.59 2.59 -3.74 0.00 4.77 -0.93 -4.98 117.00 110.11 2ysm n LEU 37 Ca 0.22 -1.00 -0.26 0.00 -0.03 0.00 0.00 56.01 54.94 2ysm n LEU 37 Cb 0.71 0.00 0.05 0.00 -2.33 0.00 0.00 43.42 41.85 2ysm n LEU 37 CO 0.27 0.45 0.15 -0.67 -1.33 0.00 0.00 177.39 176.26 2ysm n ASP 38 N 1.06 -4.96 -4.84 -1.43 -0.08 0.80 -4.98 116.55 102.13 2ysm n ASP 38 Ca 0.11 -0.68 -0.29 0.00 -1.51 0.00 0.00 54.79 52.42 2ysm n ASP 38 Cb 0.48 -4.43 -0.05 0.00 2.34 0.00 0.00 41.12 39.46 2ysm n ASP 38 CO 0.00 0.00 0.00 -0.63 0.12 0.00 0.00 177.20 176.69 2ysm s ILE 39 N -3.34 4.85 -0.55 5.18 1.01 0.27 -4.98 121.20 123.63 2ysm s ILE 39 Ca 0.54 -0.72 -0.17 0.00 0.00 0.00 0.00 60.65 60.29 2ysm s ILE 39 Cb -0.26 -3.39 0.11 0.00 0.01 0.00 0.00 42.46 38.93 2ysm s ILE 39 CO 0.78 0.05 0.56 0.00 0.00 0.00 0.00 174.94 176.34 2ysm s ALA 40 N -1.54 3.55 0.04 9.38 0.00 -1.26 -4.57 121.76 127.36 2ysm s ALA 40 Ca 0.32 -2.36 -0.38 0.00 0.00 0.00 0.00 51.96 49.54 2ysm s ALA 40 Cb -0.12 -3.34 -0.19 0.00 0.00 0.00 0.00 23.12 19.47 2ysm s ALA 40 CO 0.25 -2.10 1.06 0.28 0.00 0.00 0.00 175.76 175.25 2ysm n VAL 41 N 5.36 0.21 -3.92 0.00 0.31 -1.26 -4.96 118.33 114.07 2ysm n VAL 41 Ca -0.12 -0.05 -0.10 0.00 -0.01 0.00 0.00 64.34 64.05 2ysm n VAL 41 Cb 0.41 -0.13 -0.12 0.00 -0.91 0.00 0.00 33.84 33.09 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 -0.04 0.07 -2.00 2.52 -1.32 -1.26 -5.02 115.64 108.59 2ysm s THR 42 Ca 0.87 -0.54 0.08 0.00 -1.21 0.00 0.00 61.69 60.89 2ysm s THR 42 Cb -1.18 -0.21 0.23 0.00 -1.51 0.00 0.00 72.50 69.83 2ysm s THR 42 CO 0.55 -0.30 0.93 -0.81 -2.21 0.00 0.00 174.62 172.79 2ysm n PRO 43 N 2.13 0.49 -0.12 7.08 -0.04 -1.26 -2.78 135.00 140.50 2ysm n PRO 43 Ca -0.19 0.00 -0.24 0.00 -0.04 0.00 0.00 63.50 63.03 2ysm n PRO 43 Cb 0.57 -1.26 -0.09 0.00 -0.04 0.00 0.00 33.50 32.68 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 -0.76 1.81 0.01 1.53 7.94 -1.26 -4.63 117.00 121.64 2ysm n LEU 44 Ca 0.06 0.23 -0.12 0.00 -1.11 0.00 0.00 56.01 55.07 2ysm n LEU 44 Cb 0.03 -0.70 -0.08 0.00 0.53 0.00 0.00 43.42 43.20 2ysm n LEU 44 CO 0.05 0.53 0.77 0.11 -1.11 0.00 0.00 177.39 177.74 2ysm h LYS 45 N -0.73 0.01 -0.64 1.96 1.57 -1.77 -3.02 116.57 113.94 2ysm h LYS 45 Ca -0.58 -0.00 0.23 0.00 -1.87 0.00 0.00 60.65 58.43 2ysm h LYS 45 Cb 1.55 -0.00 -0.12 0.00 0.08 0.00 0.00 32.23 33.74 2ysm h LYS 45 CO -0.32 0.22 0.20 0.54 -0.57 0.00 0.00 179.45 179.51 2ysm n ARG 46 N -4.98 -0.04 -2.92 3.15 1.74 -1.12 -2.33 116.66 110.15 2ysm n ARG 46 Ca -0.08 0.92 -0.43 0.00 -0.77 0.00 0.00 57.85 57.49 2ysm n ARG 46 Cb 0.13 -1.56 -0.04 0.00 -1.02 0.00 0.00 32.46 29.97 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 -5.21 3.21 0.00 7.54 0.00 -1.14 -4.16 121.76 121.99 2ysm s ALA 47 Ca -0.07 -2.02 0.00 0.00 0.00 0.00 0.00 51.96 49.87 2ysm s ALA 47 Cb 0.20 -3.80 0.00 0.00 0.00 0.00 0.00 23.12 19.52 2ysm s ALA 47 CO 0.50 -2.70 0.00 0.41 0.00 0.00 0.00 175.76 173.97 2ysm n GLY 48 N 5.33 0.49 3.79 0.00 0.00 -1.18 -4.99 105.19 108.63 2ysm n GLY 48 Ca -0.02 -0.40 -0.39 0.00 0.00 0.00 0.00 46.02 45.20 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 -2.70 3.86 -0.05 1.61 -0.00 -0.99 -4.97 118.94 115.70 2ysm s TRP 49 Ca 0.00 1.48 0.05 0.00 -0.00 0.00 0.00 56.10 57.63 2ysm s TRP 49 Cb 0.00 -2.66 -0.01 0.00 -0.00 0.00 0.00 33.47 30.80 2ysm s TRP 49 CO 0.00 0.53 -0.21 -0.65 -0.00 0.00 0.00 176.95 176.62 2ysm s GLN 50 N -1.07 2.16 0.58 5.86 -0.21 -1.26 -4.10 119.66 121.61 2ysm s GLN 50 Ca 0.33 -0.76 -0.14 0.00 0.02 0.00 0.00 55.36 54.81 2ysm s GLN 50 Cb -0.21 -1.86 -0.05 0.00 1.00 0.00 0.00 33.01 31.88 2ysm s GLN 50 CO 0.23 0.32 1.02 0.00 -2.12 0.00 0.00 175.29 174.74 2ysm n PRO 52 N -2.26 0.30 0.01 0.00 -0.04 -1.26 0.11 135.00 131.86 2ysm n PRO 52 Ca 0.07 0.10 0.11 0.00 -0.04 0.00 0.00 63.50 63.73 2ysm n PRO 52 Cb 0.54 -1.50 -0.09 0.00 -0.04 0.00 0.00 33.50 32.41 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 -1.20 0.43 0.00 0.54 -0.58 -1.26 -4.66 120.64 113.92 2ysm n GLU 53 Ca 0.08 -0.08 -0.01 0.00 -0.42 0.00 0.00 57.16 56.74 2ysm n GLU 53 Cb 0.10 -1.57 -0.00 0.00 -0.57 0.00 0.00 31.44 29.40 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 -3.11 0.00 -4.15 0.00 2.85 0.12 -4.96 118.16 108.91 2ysm n LYS 55 Ca -0.02 0.00 -0.15 0.00 -1.05 0.00 0.00 58.31 57.09 2ysm n LYS 55 Cb 0.45 -0.48 -0.06 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 -0.60 0.00 -0.16 0.58 -7.23 -1.26 -4.93 120.40 106.81 2ysm s VAL 56 Ca 0.30 -1.74 -0.29 0.00 -1.81 0.00 0.00 61.98 58.43 2ysm s VAL 56 Cb -0.39 -2.54 -0.02 0.00 0.56 0.00 0.00 36.38 33.98 2ysm s VAL 56 CO 0.28 0.00 1.41 0.00 -0.31 0.00 0.00 175.10 176.48 2ysm n GLN 58 N 6.94 1.43 -0.07 0.00 1.13 -1.24 0.47 117.38 126.03 2ysm n GLN 58 Ca 0.15 -0.60 -0.09 0.00 -1.94 0.00 0.00 57.00 54.52 2ysm n GLN 58 Cb 0.44 -1.18 -0.10 0.00 0.11 0.00 0.00 30.24 29.51 2ysm n GLN 58 CO 0.00 0.00 0.00 0.09 -1.44 0.00 0.00 177.06 175.71 2ysm n ASN 59 N -0.00 1.92 0.00 1.08 3.02 -1.26 -4.71 115.26 115.31 2ysm n ASN 59 Ca 0.06 -0.03 0.00 0.00 -0.03 0.00 0.00 54.58 54.58 2ysm n ASN 59 Cb 0.17 0.48 0.00 0.00 -0.61 0.00 0.00 39.78 39.82 2ysm n ASN 59 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 2ysm n LYS 61 N -0.04 -3.30 -3.73 0.00 4.01 0.18 -5.00 118.16 110.27 2ysm n LYS 61 Ca 0.00 0.57 -0.13 0.00 -0.51 0.00 0.00 58.31 58.25 2ysm n LYS 61 Cb 0.13 -4.86 -0.14 0.00 -0.51 0.00 0.00 35.03 29.65 2ysm n LYS 61 CO 0.00 0.00 0.00 -0.65 -1.11 0.00 0.00 177.40 175.64 2ysm s GLN 62 N -5.86 0.16 -0.18 1.97 -0.21 -1.23 -4.91 119.66 109.40 2ysm s GLN 62 Ca 0.20 0.47 0.00 0.00 0.02 0.00 0.00 55.36 56.05 2ysm s GLN 62 Cb -0.06 -0.15 0.01 0.00 1.00 0.00 0.00 33.01 33.81 2ysm s GLN 62 CO 0.83 -0.17 -0.16 0.45 -2.12 0.00 0.00 175.29 174.12 2ysm s SER 63 N 1.24 3.46 0.09 5.90 0.15 -1.26 -3.45 113.70 119.83 2ysm s SER 63 Ca -0.09 -0.55 0.00 0.00 0.70 0.00 0.00 55.95 56.00 2ysm s SER 63 Cb -0.11 -1.54 0.00 0.00 -1.71 0.00 0.00 66.02 62.66 2ysm s SER 63 CO -0.08 0.03 0.00 0.61 1.20 0.00 0.00 173.24 175.00 2ysm n GLY 64 N 4.45 -1.76 3.58 9.45 0.00 -1.26 -5.04 105.19 114.60 2ysm n GLY 64 Ca -0.20 0.58 -0.30 0.00 0.00 0.00 0.00 46.02 46.10 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 -1.60 2.72 0.08 1.61 0.41 -1.26 -4.77 118.70 115.89 2ysm s GLU 65 Ca 0.00 -1.25 -0.33 0.00 -0.41 0.00 0.00 54.97 52.98 2ysm s GLU 65 Cb 0.00 -5.28 -0.16 0.00 -1.78 0.00 0.00 34.13 26.91 2ysm s GLU 65 CO 0.00 -3.70 1.61 0.38 -0.49 0.00 0.00 175.26 173.06 2ysm h ASP 66 N 9.48 -0.93 -0.39 -0.19 2.03 -1.96 0.13 116.42 124.59 2ysm h ASP 66 Ca 0.24 0.06 0.04 0.00 -0.73 0.00 0.00 57.03 56.65 2ysm h ASP 66 Cb 0.93 0.29 -0.07 0.00 -0.83 0.00 0.00 39.33 39.65 2ysm h ASP 66 CO 1.26 -0.55 -0.47 0.77 -1.03 0.00 0.00 179.24 179.22 2ysm h SER 67 N -0.87 -1.58 -0.94 4.15 4.64 -2.05 0.36 113.55 117.26 2ysm h SER 67 Ca -0.06 0.21 0.08 0.00 -0.47 0.00 0.00 61.79 61.55 2ysm h SER 67 Cb 0.72 0.65 -0.07 0.00 -0.31 0.00 0.00 62.40 63.39 2ysm h SER 67 CO 0.04 -0.32 0.61 0.11 -0.87 0.00 0.00 176.83 176.40 2ysm h LYS 68 N -0.30 1.00 -6.69 4.77 1.57 -1.95 -3.42 116.57 111.56 2ysm h LYS 68 Ca 0.07 -0.06 -0.54 0.00 -1.87 0.00 0.00 60.65 58.25 2ysm h LYS 68 Cb 0.48 -0.23 0.07 0.00 0.08 0.00 0.00 32.23 32.64 2ysm h LYS 68 CO -0.52 0.66 0.90 -0.12 -0.57 0.00 0.00 179.45 179.80 2ysm n MET 69 N -4.52 2.61 -3.60 3.15 1.56 0.45 -2.93 117.12 113.83 2ysm n MET 69 Ca 0.15 0.93 -0.38 0.00 -0.27 0.00 0.00 57.70 58.13 2ysm n MET 69 Cb 0.24 -2.73 -0.11 0.00 2.15 0.00 0.00 33.22 32.77 2ysm n MET 69 CO 0.00 0.00 0.00 -0.51 -0.73 0.00 0.00 175.97 174.73 2ysm s LEU 70 N 0.38 4.05 -0.50 -0.89 1.43 -0.84 -4.91 118.68 117.41 2ysm s LEU 70 Ca 0.70 -0.13 -0.20 0.00 -1.03 0.00 0.00 54.13 53.48 2ysm s LEU 70 Cb -0.54 -2.10 0.05 0.00 0.03 0.00 0.00 46.19 43.64 2ysm s LEU 70 CO 0.41 -0.09 0.67 -0.69 0.23 0.00 0.00 176.35 176.88 2ysm s VAL 71 N 1.73 4.80 0.79 -1.59 1.01 -1.26 -1.84 120.40 124.04 2ysm s VAL 71 Ca 0.07 -0.27 -0.11 0.00 0.00 0.00 0.00 61.98 61.67 2ysm s VAL 71 Cb -0.16 -4.31 0.07 0.00 0.00 0.00 0.00 36.38 31.98 2ysm s VAL 71 CO 0.10 -0.80 1.11 0.00 0.00 0.00 0.00 175.10 175.51 2ysm n ASP 73 N -3.52 2.04 0.41 0.00 2.03 -1.23 -3.16 116.55 113.12 2ysm n ASP 73 Ca 0.10 -0.05 -0.16 0.00 0.52 0.00 0.00 54.79 55.20 2ysm n ASP 73 Cb 0.53 -0.46 -0.08 0.00 -0.72 0.00 0.00 41.12 40.39 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 -0.17 0.00 0.06 5.18 2.02 -1.95 -3.37 112.91 114.68 2ysm h THR 74 Ca -0.57 -0.14 -0.29 0.00 0.77 0.00 0.00 66.41 66.18 2ysm h THR 74 Cb 1.80 0.00 -0.02 0.00 -1.74 0.00 0.00 68.15 68.19 2ysm h THR 74 CO -0.14 0.00 -1.56 0.00 0.37 0.00 0.00 175.52 174.18 2ysm n ASP 76 N -4.02 -2.93 -0.02 0.00 2.03 -1.19 -4.76 116.55 105.67 2ysm n ASP 76 Ca -0.31 -0.26 -0.02 0.00 0.52 0.00 0.00 54.79 54.71 2ysm n ASP 76 Cb 0.84 -2.36 -0.01 0.00 -0.72 0.00 0.00 41.12 38.88 2ysm n ASP 76 CO 0.00 0.00 0.00 0.29 -1.92 0.00 0.00 177.20 175.57 2ysm n LYS 77 N -2.21 0.10 0.00 -0.67 4.76 -1.26 -4.66 118.16 114.21 2ysm n LYS 77 Ca -0.07 0.04 0.00 0.00 -2.87 0.00 0.00 58.31 55.41 2ysm n LYS 77 Cb 0.56 -0.61 0.00 0.00 -1.84 0.00 0.00 35.03 33.14 2ysm n LYS 77 CO 0.00 0.00 0.00 0.41 -1.37 0.00 0.00 177.40 176.44 2ysm n GLY 78 N 1.83 3.58 2.97 0.72 0.00 -1.25 -4.40 105.19 108.63 2ysm n GLY 78 Ca -0.03 -0.97 -0.14 0.00 0.00 0.00 0.00 46.02 44.88 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 -0.42 0.40 1.61 2.02 -0.77 -3.73 117.35 116.46 2ysm s TYR 79 Ca 0.00 0.88 -0.26 0.00 -0.37 0.00 0.00 57.07 57.32 2ysm s TYR 79 Cb 0.00 -0.07 -0.10 0.00 -0.40 0.00 0.00 41.96 41.38 2ysm s TYR 79 CO 0.00 -0.40 1.25 0.72 -1.57 0.00 0.00 175.55 175.56 2ysm n HIS 80 N 5.35 2.09 -0.18 2.71 8.25 -1.26 -1.99 115.22 130.19 2ysm n HIS 80 Ca -0.06 0.52 -0.02 0.00 -0.26 0.00 0.00 57.72 57.90 2ysm n HIS 80 Cb 0.50 -2.37 0.04 0.00 1.12 0.00 0.00 29.99 29.28 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 2.14 0.45 0.00 1.59 1.35 -1.88 0.32 112.91 116.89 2ysm h THR 81 Ca -0.47 0.00 -0.04 0.00 -0.55 0.00 0.00 66.41 65.35 2ysm h THR 81 Cb 1.30 0.45 -0.01 0.00 -1.73 0.00 0.00 68.15 68.16 2ysm h THR 81 CO 0.60 0.00 -0.20 2.19 -0.25 0.00 0.00 175.52 177.86 2ysm h PHE 82 N -0.00 0.00 -0.14 4.73 -5.15 -1.89 -2.40 116.94 112.09 2ysm h PHE 82 Ca 0.26 0.00 -0.04 0.00 -0.20 0.00 0.00 57.97 58.00 2ysm h PHE 82 Cb 0.40 0.00 -0.02 0.00 0.22 0.00 0.00 35.95 36.55 2ysm h PHE 82 CO -0.46 0.20 0.05 0.00 -2.00 0.00 0.00 178.31 176.10 2ysm s LEU 84 N -0.56 2.32 -0.29 0.00 1.43 -0.92 -4.72 118.68 115.94 2ysm s LEU 84 Ca 0.11 -0.39 0.03 0.00 -1.03 0.00 0.00 54.13 52.84 2ysm s LEU 84 Cb 0.08 -1.44 0.08 0.00 0.03 0.00 0.00 46.19 44.94 2ysm s LEU 84 CO 0.03 0.28 -0.02 -1.10 0.23 0.00 0.00 176.35 175.77 2ysm s GLN 85 N -0.37 1.69 1.11 1.70 -0.21 -1.26 0.31 119.66 122.63 2ysm s GLN 85 Ca 0.03 -1.46 -0.16 0.00 0.02 0.00 0.00 55.36 53.79 2ysm s GLN 85 Cb -0.12 -2.88 0.24 0.00 1.00 0.00 0.00 33.01 31.25 2ysm s GLN 85 CO 0.02 -0.76 1.10 -1.25 -2.12 0.00 0.00 175.29 172.28 2ysm s PRO 86 N 1.12 -0.47 0.33 2.91 0.04 -1.26 -5.06 135.00 132.61 2ysm s PRO 86 Ca 0.01 0.21 -0.17 0.00 0.04 0.00 0.00 61.00 61.09 2ysm s PRO 86 Cb -0.19 -1.66 -0.09 0.00 0.04 0.00 0.00 34.50 32.60 2ysm s PRO 86 CO -0.08 -3.27 0.78 0.08 0.04 0.00 0.00 177.00 174.56 2ysm s VAL 87 N -2.98 4.59 -0.90 -0.36 1.01 0.15 -5.01 120.40 116.90 2ysm s VAL 87 Ca 0.68 1.14 -0.21 0.00 0.00 0.00 0.00 61.98 63.60 2ysm s VAL 87 Cb -0.14 -3.66 0.10 0.00 0.00 0.00 0.00 36.38 32.67 2ysm s VAL 87 CO 0.57 -0.14 1.17 -0.04 0.00 0.00 0.00 175.10 176.66 2ysm s MET 88 N -2.83 3.50 0.37 2.72 -1.94 -1.08 -4.87 119.30 115.16 2ysm s MET 88 Ca 0.54 -1.41 0.18 0.00 -1.71 0.00 0.00 55.69 53.28 2ysm s MET 88 Cb -0.11 -4.87 1.13 0.00 2.01 0.00 0.00 34.83 32.99 2ysm s MET 88 CO 0.17 -1.89 1.68 -0.22 -0.01 0.00 0.00 175.02 174.76 2ysm h LYS 89 N 9.21 0.31 -5.20 2.03 1.63 -1.95 -3.42 116.57 119.19 2ysm h LYS 89 Ca 0.07 -0.02 -0.60 0.00 -0.85 0.00 0.00 60.65 59.25 2ysm h LYS 89 Cb 1.03 -0.07 -0.13 0.00 -0.60 0.00 0.00 32.23 32.46 2ysm h LYS 89 CO 1.20 0.21 -0.54 -1.12 -3.45 0.00 0.00 179.45 175.74 2ysm s SER 90 N -4.93 3.40 -0.09 4.20 0.01 -1.26 -5.14 113.70 109.89 2ysm s SER 90 Ca -0.09 -1.60 -0.00 0.00 1.31 0.00 0.00 55.95 55.57 2ysm s SER 90 Cb 0.29 0.33 -0.03 0.00 0.21 0.00 0.00 66.02 66.82 2ysm s SER 90 CO 0.80 -0.80 -0.06 -0.69 0.41 0.00 0.00 173.24 172.89 2ysm s VAL 91 N -3.03 3.73 0.59 3.43 1.01 -1.26 -5.08 120.40 119.79 2ysm s VAL 91 Ca 0.19 -0.46 -0.18 0.00 0.00 0.00 0.00 61.98 61.54 2ysm s VAL 91 Cb 0.04 -2.55 -0.03 0.00 0.00 0.00 0.00 36.38 33.84 2ysm s VAL 91 CO 0.10 0.58 1.12 -2.16 0.00 0.00 0.00 175.10 174.74 2ysm s PRO 92 N -0.53 3.12 -0.15 2.72 0.04 -1.26 -4.98 135.00 133.96 2ysm s PRO 92 Ca 0.08 1.52 0.15 0.00 0.04 0.00 0.00 61.00 62.79 2ysm s PRO 92 Cb -0.12 -1.98 0.42 0.00 0.04 0.00 0.00 34.50 32.86 2ysm s PRO 92 CO 0.02 -1.02 1.21 0.25 0.04 0.00 0.00 177.00 177.50 2ysm n THR 93 N -1.78 1.59 -3.15 1.26 -2.24 -1.26 -4.96 114.28 103.73 2ysm n THR 93 Ca 0.11 -2.61 0.05 0.00 -2.27 0.00 0.00 64.05 59.34 2ysm n THR 93 Cb 0.51 0.11 -0.01 0.00 -2.10 0.00 0.00 70.33 68.84 2ysm n THR 93 CO 0.00 0.00 0.00 0.21 -0.57 0.00 0.00 175.07 174.71 2ysm s ASN 94 N -2.89 -0.47 0.00 3.42 2.47 -1.26 -5.07 114.94 111.14 2ysm s ASN 94 Ca 0.37 0.26 0.00 0.00 0.42 0.00 0.00 52.86 53.90 2ysm s ASN 94 Cb 0.37 1.38 0.00 0.00 -1.45 0.00 0.00 41.25 41.55 2ysm s ASN 94 CO -0.10 -0.09 0.00 0.61 -3.72 0.00 0.00 177.10 173.80 2ysm n GLY 95 N 5.42 0.00 3.87 1.21 0.00 -1.26 -4.89 105.19 109.54 2ysm n GLY 95 Ca -0.05 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.67 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 -0.43 3.58 -0.20 1.61 -0.00 -1.26 -5.00 118.94 117.23 2ysm s TRP 96 Ca 0.00 1.25 -0.02 0.00 -0.00 0.00 0.00 56.10 57.33 2ysm s TRP 96 Cb 0.00 -2.66 0.06 0.00 -0.00 0.00 0.00 33.47 30.87 2ysm s TRP 96 CO 0.00 -0.53 0.01 0.15 -0.00 0.00 0.00 176.95 176.57 2ysm s LYS 97 N -4.82 0.95 0.47 5.86 -0.14 -1.26 -3.51 119.74 117.29 2ysm s LYS 97 Ca 0.55 -0.58 -0.22 0.00 -1.36 0.00 0.00 55.97 54.35 2ysm s LYS 97 Cb -0.11 -2.24 -0.08 0.00 -1.68 0.00 0.00 37.83 33.73 2ysm s LYS 97 CO 0.47 -0.62 1.11 0.00 -0.76 0.00 0.00 175.35 175.55 2ysm h LYS 99 N 1.91 -0.03 -1.45 0.00 3.64 -1.97 0.97 116.57 119.64 2ysm h LYS 99 Ca -0.49 0.00 0.42 0.00 -1.27 0.00 0.00 60.65 59.31 2ysm h LYS 99 Cb 1.24 0.01 -0.06 0.00 -0.41 0.00 0.00 32.23 33.01 2ysm h LYS 99 CO 0.60 -0.02 1.12 -1.71 -2.27 0.00 0.00 179.45 177.17 2ysm n ASN 100 N -3.97 0.00 -0.09 4.20 2.85 -1.26 0.13 115.26 117.12 2ysm n ASN 100 Ca 0.00 0.76 -0.23 0.00 -0.11 0.00 0.00 54.58 55.01 2ysm n ASN 100 Cb 0.12 -0.36 -0.12 0.00 1.24 0.00 0.00 39.78 40.66 2ysm n ASN 100 CO 0.00 0.00 0.00 0.00 -2.11 0.00 0.00 177.26 175.15 2ysm h ARG 102 N -0.46 0.04 -5.53 0.00 0.11 0.58 -3.42 114.38 105.71 2ysm h ARG 102 Ca -0.51 -0.00 -0.59 0.00 0.10 0.00 0.00 59.98 58.97 2ysm h ARG 102 Cb 1.73 -0.01 0.13 0.00 1.11 0.00 0.00 29.97 32.93 2ysm h ARG 102 CO -0.15 0.03 -0.73 -0.89 0.10 0.00 0.00 179.97 178.32 2ysm n ILE 103 N -4.99 1.05 -0.05 0.08 -0.00 -0.91 -4.90 119.36 109.64 2ysm n ILE 103 Ca 0.38 -0.46 -0.00 0.00 -0.00 0.00 0.00 62.75 62.67 2ysm n ILE 103 Cb 1.37 0.00 -0.15 0.00 -0.00 0.00 0.00 39.64 40.86 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 -2.91 1.85 -0.17 0.00 2.07 -1.26 -5.09 121.20 115.69 2ysm s ILE 105 Ca -0.09 -3.51 -0.05 0.00 -1.41 0.00 0.00 60.65 55.59 2ysm s ILE 105 Cb 0.09 -2.24 -0.03 0.00 0.13 0.00 0.00 42.46 40.41 2ysm s ILE 105 CO 0.82 -1.07 0.01 -0.94 -1.91 0.00 0.00 174.94 171.85 2ysm s SER 106 N -0.72 5.16 0.40 4.50 1.04 -1.26 -5.10 113.70 117.72 2ysm s SER 106 Ca 0.27 -0.05 -0.14 0.00 0.48 0.00 0.00 55.95 56.51 2ysm s SER 106 Cb -0.04 -1.87 -0.08 0.00 0.10 0.00 0.00 66.02 64.13 2ysm s SER 106 CO -0.16 0.16 0.81 -0.83 0.98 0.00 0.00 173.24 174.20 2ysm s GLY 107 N 0.45 2.11 0.51 7.32 0.00 -1.26 -5.05 107.32 111.41 2ysm s GLY 107 Ca -0.00 -0.02 -0.21 0.00 0.00 0.00 0.00 44.72 44.49 2ysm s GLY 107 CO 0.02 0.19 1.14 2.56 0.00 0.00 0.00 173.10 177.01 2ysm s PRO 108 N -3.58 3.51 -0.02 2.90 0.04 -1.26 -4.98 135.00 131.61 2ysm s PRO 108 Ca 0.54 1.67 -0.23 0.00 0.04 0.00 0.00 61.00 63.02 2ysm s PRO 108 Cb -0.10 -2.16 -0.21 0.00 0.04 0.00 0.00 34.50 32.07 2ysm s PRO 108 CO 0.26 -0.74 1.13 0.66 0.04 0.00 0.00 177.00 178.35 2ysm h SER 109 N 1.52 0.29 -6.91 6.66 4.64 -2.06 -3.46 113.55 114.22 2ysm h SER 109 Ca -0.50 -0.69 -0.58 0.00 -0.47 0.00 0.00 61.79 59.56 2ysm h SER 109 Cb 1.26 -0.09 -0.25 0.00 -0.31 0.00 0.00 62.40 63.01 2ysm h SER 109 CO 0.58 0.93 -0.88 -1.54 -0.87 0.00 0.00 176.83 175.05 2ysm n SER 110 N -4.50 -1.97 0.00 4.97 3.41 -1.26 -5.37 113.62 108.90 2ysm n SER 110 Ca -0.09 -1.12 0.08 0.00 -0.26 0.00 0.00 58.87 57.48 2ysm n SER 110 Cb 0.48 -2.27 0.49 0.00 -0.26 0.00 0.00 64.21 62.65 2ysm n SER 110 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49