#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 2.74 0.16 1.61 0.15 -1.26 -5.04 113.70 112.06 2ysm s SER 2 Ca 0.00 -0.61 -0.18 0.00 0.70 0.00 0.00 55.95 55.86 2ysm s SER 2 Cb 0.00 -0.20 0.06 0.00 -1.71 0.00 0.00 66.02 64.17 2ysm s SER 2 CO 0.00 0.15 1.67 -1.28 1.20 0.00 0.00 173.24 174.99 2ysm h SER 3 N 4.50 -0.35 -2.07 5.45 0.87 -2.13 -3.43 113.55 116.39 2ysm h SER 3 Ca -0.45 0.11 -0.44 0.00 -1.23 0.00 0.00 61.79 59.77 2ysm h SER 3 Cb 1.16 0.23 0.02 0.00 -0.44 0.00 0.00 62.40 63.37 2ysm h SER 3 CO 0.42 -0.13 -0.21 -0.83 -0.53 0.00 0.00 176.83 175.56 2ysm s GLY 4 N -2.92 1.72 -0.47 5.77 0.00 -1.26 -5.07 107.32 105.09 2ysm s GLY 4 Ca -0.14 -1.39 -0.12 0.00 0.00 0.00 0.00 44.72 43.08 2ysm s GLY 4 CO 0.70 -1.23 0.37 -0.45 0.00 0.00 0.00 173.10 172.49 2ysm s SER 5 N -4.27 5.86 0.09 1.64 0.15 -1.26 -4.98 113.70 110.93 2ysm s SER 5 Ca 0.50 -1.69 -0.27 0.00 0.70 0.00 0.00 55.95 55.19 2ysm s SER 5 Cb -0.10 -2.08 -0.11 0.00 -1.71 0.00 0.00 66.02 62.03 2ysm s SER 5 CO 0.34 -0.68 1.44 0.28 1.20 0.00 0.00 173.24 175.83 2ysm h SER 6 N 8.58 -1.37 0.00 5.45 0.02 -1.97 -3.47 113.55 120.79 2ysm h SER 6 Ca -0.25 0.16 0.00 0.00 -0.84 0.00 0.00 61.79 60.86 2ysm h SER 6 Cb 1.09 0.53 0.00 0.00 0.14 0.00 0.00 62.40 64.15 2ysm h SER 6 CO 0.88 -0.41 0.00 0.61 -1.14 0.00 0.00 176.83 176.77 2ysm n GLY 7 N -1.36 1.56 3.17 -3.77 0.00 -1.26 -5.11 105.19 98.43 2ysm n GLY 7 Ca -0.05 -0.13 -0.39 0.00 0.00 0.00 0.00 46.02 45.45 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 0.00 3.33 0.37 4.61 0.00 -1.26 -5.06 121.76 123.75 2ysm s ALA 8 Ca 0.00 -2.60 0.04 0.00 0.00 0.00 0.00 51.96 49.40 2ysm s ALA 8 Cb 0.00 -2.68 -0.03 0.00 0.00 0.00 0.00 23.12 20.41 2ysm s ALA 8 CO 0.00 -1.89 0.15 -0.80 0.00 0.00 0.00 175.76 173.22 2ysm s ASN 9 N 2.23 2.34 0.25 0.00 0.01 -1.26 -4.88 114.94 113.63 2ysm s ASN 9 Ca 0.08 -1.64 -0.30 0.00 -0.71 0.00 0.00 52.86 50.29 2ysm s ASN 9 Cb -0.24 0.45 -0.09 0.00 0.41 0.00 0.00 41.25 41.78 2ysm s ASN 9 CO -0.02 -0.92 1.24 0.00 -1.51 0.00 0.00 177.10 175.89 2ysm n ALA 11 N 1.85 2.53 -0.01 0.00 0.00 -1.12 -1.53 120.51 122.23 2ysm n ALA 11 Ca 0.03 -0.41 -0.05 0.00 0.00 0.00 0.00 53.44 53.00 2ysm n ALA 11 Cb 0.43 -1.12 -0.02 0.00 0.00 0.00 0.00 19.45 18.75 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 0.04 0.95 -0.04 0.00 0.31 -1.26 -4.82 118.33 113.51 2ysm n VAL 12 Ca 0.14 0.14 -0.01 0.00 -0.01 0.00 0.00 64.34 64.60 2ysm n VAL 12 Cb 0.24 -1.73 -0.14 0.00 -0.91 0.00 0.00 33.84 31.30 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 -2.63 -2.53 -4.02 0.00 8.00 -0.58 -4.99 116.55 109.81 2ysm n ASP 14 Ca -0.17 -0.28 -0.11 0.00 0.71 0.00 0.00 54.79 54.94 2ysm n ASP 14 Cb 0.88 -2.64 -0.11 0.00 -0.02 0.00 0.00 41.12 39.23 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 -3.51 0.56 -0.02 -2.24 0.01 -1.26 -4.77 113.70 102.47 2ysm s SER 15 Ca 0.07 -0.52 -0.25 0.00 1.31 0.00 0.00 55.95 56.56 2ysm s SER 15 Cb -0.03 0.06 -0.19 0.00 0.21 0.00 0.00 66.02 66.08 2ysm s SER 15 CO 0.34 -0.25 1.19 1.55 0.41 0.00 0.00 173.24 176.48 2ysm h PRO 16 N 4.59 -0.11 0.00 12.44 0.13 -1.97 -3.14 132.00 143.94 2ysm h PRO 16 Ca -0.34 0.01 0.00 0.00 -0.87 0.00 0.00 66.00 64.80 2ysm h PRO 16 Cb 1.21 0.03 0.00 0.00 0.13 0.00 0.00 31.00 32.36 2ysm h PRO 16 CO 0.41 0.33 0.00 0.41 -0.23 0.00 0.00 178.00 178.92 2ysm n GLY 17 N 0.19 1.10 3.76 1.56 0.00 -1.26 -4.02 105.19 106.52 2ysm n GLY 17 Ca -0.09 0.27 -0.37 0.00 0.00 0.00 0.00 46.02 45.83 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 -2.23 6.64 -0.23 1.61 1.01 -1.26 -4.99 116.67 117.22 2ysm s ASP 18 Ca 0.00 0.75 -0.12 0.00 0.71 0.00 0.00 52.55 53.90 2ysm s ASP 18 Cb 0.00 -2.24 -0.17 0.00 1.01 0.00 0.00 42.92 41.52 2ysm s ASP 18 CO 0.00 0.13 -0.05 0.18 0.21 0.00 0.00 175.17 175.64 2ysm n LEU 19 N 3.08 2.25 0.05 1.23 7.99 -1.26 -4.16 117.00 126.18 2ysm n LEU 19 Ca -0.11 0.24 -0.11 0.00 -0.01 0.00 0.00 56.01 56.03 2ysm n LEU 19 Cb 0.52 -0.93 -0.08 0.00 -0.11 0.00 0.00 43.42 42.82 2ysm n LEU 19 CO 0.40 0.61 0.42 -0.07 -1.51 0.00 0.00 177.39 177.24 2ysm h LEU 20 N -0.62 -0.17 -0.93 2.23 4.07 -1.95 -3.27 115.31 114.66 2ysm h LEU 20 Ca -0.54 -0.37 0.25 0.00 0.08 0.00 0.00 57.88 57.31 2ysm h LEU 20 Cb 1.66 0.04 -0.17 0.00 1.08 0.00 0.00 40.66 43.28 2ysm h LEU 20 CO -0.21 0.38 0.08 -0.78 -1.08 0.00 0.00 178.44 176.82 2ysm h ASP 21 N -0.84 -0.35 -3.04 -0.43 3.58 -1.97 -3.38 116.42 110.00 2ysm h ASP 21 Ca -0.02 0.25 -0.53 0.00 0.42 0.00 0.00 57.03 57.15 2ysm h ASP 21 Cb 0.53 0.42 0.01 0.00 1.72 0.00 0.00 39.33 42.01 2ysm h ASP 21 CO 0.03 -0.30 0.70 0.00 -2.88 0.00 0.00 179.24 176.80 2ysm s GLN 22 N -6.00 4.34 0.65 0.28 -2.07 -1.24 -4.43 119.66 111.20 2ysm s GLN 22 Ca -0.13 1.97 -0.17 0.00 -1.82 0.00 0.00 55.36 55.21 2ysm s GLN 22 Cb 0.28 -3.34 -0.01 0.00 -1.09 0.00 0.00 33.01 28.85 2ysm s GLN 22 CO 0.77 -0.41 1.18 -0.06 -1.32 0.00 0.00 175.29 175.45 2ysm s PHE 23 N 1.34 2.36 -0.18 9.60 0.40 -0.44 -4.64 117.98 126.42 2ysm s PHE 23 Ca 0.63 1.55 0.01 0.00 -0.60 0.00 0.00 56.93 58.52 2ysm s PHE 23 Cb -0.34 -3.39 0.02 0.00 0.51 0.00 0.00 43.02 39.82 2ysm s PHE 23 CO 0.29 -2.16 -0.19 0.12 0.70 0.00 0.00 175.22 173.99 2ysm s PHE 24 N -1.90 2.78 0.68 0.36 5.36 -1.26 -2.51 117.98 121.50 2ysm s PHE 24 Ca 0.74 -1.55 -0.13 0.00 -0.96 0.00 0.00 56.93 55.03 2ysm s PHE 24 Cb -0.27 -1.93 0.01 0.00 -0.34 0.00 0.00 43.02 40.49 2ysm s PHE 24 CO 0.38 -0.76 1.08 0.00 -1.46 0.00 0.00 175.22 174.46 2ysm n THR 26 N -2.76 1.24 0.12 0.00 -2.24 -1.26 -3.38 114.28 106.00 2ysm n THR 26 Ca 0.09 -0.73 -0.05 0.00 -2.27 0.00 0.00 64.05 61.09 2ysm n THR 26 Cb 0.53 -0.62 -0.03 0.00 -2.10 0.00 0.00 70.33 68.11 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 0.08 4.28 2.02 -1.94 -3.40 112.91 113.95 2ysm h THR 27 Ca -0.49 -0.49 -0.21 0.00 0.77 0.00 0.00 66.41 65.98 2ysm h THR 27 Cb 2.07 0.00 -0.01 0.00 -1.74 0.00 0.00 68.15 68.47 2ysm h THR 27 CO 0.01 0.00 -1.08 0.00 0.37 0.00 0.00 175.52 174.83 2ysm n GLY 29 N 1.65 0.96 4.03 0.00 0.00 -1.22 -5.04 105.19 105.57 2ysm n GLY 29 Ca -0.22 -0.26 -0.20 0.00 0.00 0.00 0.00 46.02 45.33 2ysm n GLY 29 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 2ysm s GLN 30 N -1.90 2.24 -0.01 1.61 -1.52 -1.26 -4.81 119.66 114.01 2ysm s GLN 30 Ca 0.00 -1.72 0.04 0.00 -1.95 0.00 0.00 55.36 51.73 2ysm s GLN 30 Cb 0.00 -2.59 -0.01 0.00 -0.22 0.00 0.00 33.01 30.19 2ysm s GLN 30 CO 0.00 -0.92 -0.14 -1.01 -0.25 0.00 0.00 175.29 172.97 2ysm s HIS 31 N -2.71 1.29 -0.08 0.91 3.76 -1.26 -2.52 115.29 114.68 2ysm s HIS 31 Ca 0.60 -0.25 -0.03 0.00 -0.15 0.00 0.00 55.06 55.23 2ysm s HIS 31 Cb -0.05 -0.84 0.04 0.00 1.11 0.00 0.00 32.58 32.85 2ysm s HIS 31 CO 0.38 -0.03 0.16 0.71 -0.85 0.00 0.00 174.74 175.12 2ysm s TYR 32 N -0.30 -0.19 0.50 1.40 1.51 -1.04 -2.79 117.35 116.44 2ysm s TYR 32 Ca 0.05 0.59 -0.21 0.00 -1.01 0.00 0.00 57.07 56.49 2ysm s TYR 32 Cb -0.06 -0.16 -0.07 0.00 -0.11 0.00 0.00 41.96 41.56 2ysm s TYR 32 CO -0.00 -0.23 1.13 -1.01 -1.11 0.00 0.00 175.55 174.33 2ysm s HIS 33 N 1.81 2.79 0.44 2.71 3.76 -1.26 -1.33 115.29 124.20 2ysm s HIS 33 Ca -0.02 1.55 0.11 0.00 -0.15 0.00 0.00 55.06 56.55 2ysm s HIS 33 Cb -0.12 -3.30 1.00 0.00 1.11 0.00 0.00 32.58 31.27 2ysm s HIS 33 CO -0.06 -1.46 2.04 0.78 -0.85 0.00 0.00 174.74 175.19 2ysm h GLY 34 N 1.58 0.47 0.44 -2.22 0.00 -1.86 -2.10 103.07 99.38 2ysm h GLY 34 Ca -0.50 -0.16 -0.07 0.00 0.00 0.00 0.00 47.33 46.60 2ysm h GLY 34 CO 0.58 0.13 -0.29 1.98 0.00 0.00 0.00 176.54 178.94 2ysm h MET 35 N 0.40 0.18 -0.89 4.80 1.85 -1.92 0.49 114.93 119.84 2ysm h MET 35 Ca 0.17 -0.21 0.17 0.00 -0.61 0.00 0.00 59.70 59.22 2ysm h MET 35 Cb 0.19 0.06 -0.07 0.00 0.43 0.00 0.00 31.60 32.21 2ysm h MET 35 CO -0.04 0.97 0.58 0.00 -0.40 0.00 0.00 176.91 178.02 2ysm n LEU 37 N -4.56 0.42 -1.37 0.00 4.77 -0.82 -5.00 117.00 110.44 2ysm n LEU 37 Ca 0.18 0.17 -0.06 0.00 -0.03 0.00 0.00 56.01 56.28 2ysm n LEU 37 Cb 0.55 0.06 0.02 0.00 -2.33 0.00 0.00 43.42 41.72 2ysm n LEU 37 CO 0.29 0.03 0.05 0.47 -1.33 0.00 0.00 177.39 176.91 2ysm n ASP 38 N -2.56 -2.80 -4.63 -1.43 8.00 0.13 -5.06 116.55 108.20 2ysm n ASP 38 Ca -0.07 -0.14 -0.30 0.00 0.71 0.00 0.00 54.79 54.98 2ysm n ASP 38 Cb 0.69 -1.65 -0.09 0.00 -0.02 0.00 0.00 41.12 40.05 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 -3.08 3.69 -0.73 0.53 1.01 0.97 -5.00 121.20 118.58 2ysm s ILE 39 Ca 0.11 -1.08 -0.22 0.00 0.00 0.00 0.00 60.65 59.45 2ysm s ILE 39 Cb -0.05 -2.72 0.08 0.00 0.01 0.00 0.00 42.46 39.78 2ysm s ILE 39 CO 0.18 0.15 1.04 0.00 0.00 0.00 0.00 174.94 176.32 2ysm s ALA 40 N -1.23 3.11 -0.39 9.38 0.00 -1.26 -4.65 121.76 126.72 2ysm s ALA 40 Ca 0.23 -1.99 -0.39 0.00 0.00 0.00 0.00 51.96 49.81 2ysm s ALA 40 Cb -0.11 -3.95 -0.15 0.00 0.00 0.00 0.00 23.12 18.91 2ysm s ALA 40 CO 0.15 -2.89 2.11 0.28 0.00 0.00 0.00 175.76 175.41 2ysm n VAL 41 N 5.93 0.13 -4.33 0.00 0.31 -1.26 -4.93 118.33 114.19 2ysm n VAL 41 Ca 0.03 -0.14 -0.22 0.00 -0.01 0.00 0.00 64.34 64.00 2ysm n VAL 41 Cb 0.47 -1.18 -0.11 0.00 -0.91 0.00 0.00 33.84 32.10 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 6.36 1.82 -2.00 2.52 -4.23 -1.26 -5.01 115.64 113.84 2ysm s THR 42 Ca 1.12 -1.85 0.09 0.00 -1.18 0.00 0.00 61.69 59.87 2ysm s THR 42 Cb -1.11 -1.80 0.26 0.00 1.34 0.00 0.00 72.50 71.19 2ysm s THR 42 CO 0.57 -0.26 0.99 -0.81 -0.54 0.00 0.00 174.62 174.58 2ysm n PRO 43 N 0.44 0.49 -0.11 3.99 -0.04 -1.26 -2.84 135.00 135.67 2ysm n PRO 43 Ca -0.14 0.00 -0.19 0.00 -0.04 0.00 0.00 63.50 63.13 2ysm n PRO 43 Cb 0.56 -1.29 -0.09 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 -0.79 2.28 0.15 1.53 7.94 -1.26 -4.60 117.00 122.25 2ysm n LEU 44 Ca 0.07 0.08 -0.14 0.00 -1.11 0.00 0.00 56.01 54.91 2ysm n LEU 44 Cb 0.03 -0.69 -0.08 0.00 0.53 0.00 0.00 43.42 43.21 2ysm n LEU 44 CO 0.05 0.66 0.63 0.11 -1.11 0.00 0.00 177.39 177.74 2ysm h LYS 45 N -0.39 -0.36 -0.60 1.96 1.57 -1.78 -3.20 116.57 113.76 2ysm h LYS 45 Ca -0.51 0.02 0.08 0.00 -1.87 0.00 0.00 60.65 58.37 2ysm h LYS 45 Cb 1.61 0.08 -0.09 0.00 0.08 0.00 0.00 32.23 33.91 2ysm h LYS 45 CO -0.21 -0.09 -0.26 0.54 -0.57 0.00 0.00 179.45 178.87 2ysm n ARG 46 N -5.15 -0.17 -2.53 3.15 1.74 -1.15 -3.12 116.66 109.43 2ysm n ARG 46 Ca -0.10 0.93 -0.43 0.00 -0.77 0.00 0.00 57.85 57.48 2ysm n ARG 46 Cb 0.23 -1.37 -0.02 0.00 -1.02 0.00 0.00 32.46 30.28 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 -5.51 3.55 -0.99 7.54 0.00 -1.21 -3.77 121.76 121.38 2ysm s ALA 47 Ca -0.08 0.46 -0.02 0.00 0.00 0.00 0.00 51.96 52.31 2ysm s ALA 47 Cb 0.11 -3.53 -0.03 0.00 0.00 0.00 0.00 23.12 19.67 2ysm s ALA 47 CO 0.42 -0.89 0.84 0.41 0.00 0.00 0.00 175.76 176.54 2ysm n GLY 48 N 3.37 -0.55 3.96 0.00 0.00 -1.25 -4.95 105.19 105.77 2ysm n GLY 48 Ca 0.11 0.23 -0.22 0.00 0.00 0.00 0.00 46.02 46.15 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 -3.33 3.22 -0.14 1.61 -0.00 -1.18 -4.99 118.94 114.14 2ysm s TRP 49 Ca 0.18 0.11 -0.11 0.00 -0.00 0.00 0.00 56.10 56.28 2ysm s TRP 49 Cb -0.02 -2.17 0.04 0.00 -0.00 0.00 0.00 33.47 31.32 2ysm s TRP 49 CO 0.64 -0.20 0.35 -0.65 -0.00 0.00 0.00 176.95 177.10 2ysm s GLN 50 N -4.41 0.39 0.60 5.86 -0.21 -1.26 -4.30 119.66 116.34 2ysm s GLN 50 Ca 0.46 0.54 -0.14 0.00 0.02 0.00 0.00 55.36 56.25 2ysm s GLN 50 Cb -0.10 0.14 -0.04 0.00 1.00 0.00 0.00 33.01 34.01 2ysm s GLN 50 CO 0.36 -0.08 1.04 0.00 -2.12 0.00 0.00 175.29 174.48 2ysm n PRO 52 N -2.29 0.42 0.01 0.00 -0.04 -1.26 -0.24 135.00 131.59 2ysm n PRO 52 Ca 0.07 0.04 0.09 0.00 -0.04 0.00 0.00 63.50 63.67 2ysm n PRO 52 Cb 0.53 -1.50 -0.13 0.00 -0.04 0.00 0.00 33.50 32.36 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 -1.07 0.65 -0.04 0.54 -0.58 -1.26 -4.53 120.64 114.35 2ysm n GLU 53 Ca 0.11 -0.11 -0.05 0.00 -0.42 0.00 0.00 57.16 56.69 2ysm n GLU 53 Cb 0.07 -1.60 -0.05 0.00 -0.57 0.00 0.00 31.44 29.30 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 -2.51 1.53 -4.19 0.00 4.81 0.66 -4.99 118.16 113.48 2ysm n LYS 55 Ca -0.14 0.54 -0.11 0.00 -0.87 0.00 0.00 58.31 57.73 2ysm n LYS 55 Cb 0.70 -2.11 -0.10 0.00 0.02 0.00 0.00 35.03 33.54 2ysm n LYS 55 CO 0.00 0.00 0.00 0.14 1.17 0.00 0.00 177.40 178.71 2ysm s VAL 56 N -0.09 0.20 0.74 3.15 -7.23 -1.26 -4.93 120.40 110.97 2ysm s VAL 56 Ca 0.72 -1.95 -0.15 0.00 -1.81 0.00 0.00 61.98 58.78 2ysm s VAL 56 Cb -0.77 -2.22 0.02 0.00 0.56 0.00 0.00 36.38 33.97 2ysm s VAL 56 CO 0.51 -0.31 1.02 0.00 -0.31 0.00 0.00 175.10 176.01 2ysm n GLN 58 N -2.13 0.64 -0.01 0.00 1.13 -1.26 -3.15 117.38 112.60 2ysm n GLN 58 Ca 0.13 -0.13 -0.04 0.00 -1.94 0.00 0.00 57.00 55.03 2ysm n GLN 58 Cb 0.50 -1.38 -0.03 0.00 0.11 0.00 0.00 30.24 29.43 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 -0.08 0.09 1.08 2.35 -1.90 -3.40 115.58 113.72 2ysm h ASN 59 Ca -0.06 -0.16 -0.36 0.00 -0.55 0.00 0.00 56.30 55.18 2ysm h ASN 59 Cb 0.90 0.02 -0.07 0.00 0.05 0.00 0.00 38.32 39.23 2ysm h ASN 59 CO 0.00 0.48 -2.27 0.00 -1.65 0.00 0.00 177.43 174.00 2ysm n LYS 61 N -2.81 -4.47 -3.79 0.00 4.76 -1.19 -5.03 118.16 105.64 2ysm n LYS 61 Ca -0.30 0.56 -0.29 0.00 -2.87 0.00 0.00 58.31 55.41 2ysm n LYS 61 Cb 1.14 -4.71 -0.16 0.00 -1.84 0.00 0.00 35.03 29.45 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 -5.02 0.92 -0.02 1.97 -1.52 -1.26 -4.87 119.66 109.85 2ysm s GLN 62 Ca 0.05 -0.66 -0.30 0.00 -1.95 0.00 0.00 55.36 52.50 2ysm s GLN 62 Cb -0.02 -2.23 -0.03 0.00 -0.22 0.00 0.00 33.01 30.51 2ysm s GLN 62 CO 0.48 -0.68 1.12 -1.54 -0.25 0.00 0.00 175.29 174.42 2ysm s SER 63 N 1.70 7.16 0.02 5.90 1.04 -1.26 -4.62 113.70 123.64 2ysm s SER 63 Ca -0.01 1.78 0.00 0.00 0.48 0.00 0.00 55.95 58.21 2ysm s SER 63 Cb -0.18 -2.57 0.00 0.00 0.10 0.00 0.00 66.02 63.38 2ysm s SER 63 CO -0.10 -0.46 0.00 0.61 0.98 0.00 0.00 173.24 174.27 2ysm n GLY 64 N 3.18 -1.37 3.49 7.32 0.00 -1.26 -5.07 105.19 111.48 2ysm n GLY 64 Ca 0.09 0.57 -0.43 0.00 0.00 0.00 0.00 46.02 46.25 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 3.49 -0.05 1.61 8.01 -1.26 -4.86 118.70 123.64 2ysm s GLU 65 Ca 0.00 -1.34 -0.15 0.00 0.01 0.00 0.00 54.97 53.49 2ysm s GLU 65 Cb 0.00 -4.88 -0.09 0.00 -4.31 0.00 0.00 34.13 24.85 2ysm s GLU 65 CO 0.00 -1.92 0.59 0.22 0.01 0.00 0.00 175.26 174.16 2ysm h ASP 66 N 9.29 -0.31 -0.11 -0.19 1.82 -1.97 -2.69 116.42 122.27 2ysm h ASP 66 Ca 0.07 -0.10 0.02 0.00 -0.39 0.00 0.00 57.03 56.62 2ysm h ASP 66 Cb 1.03 0.08 -0.03 0.00 0.68 0.00 0.00 39.33 41.09 2ysm h ASP 66 CO 1.22 0.18 -0.24 0.28 -1.61 0.00 0.00 179.24 179.07 2ysm h SER 67 N -1.05 -0.78 -0.70 2.28 0.02 -2.05 -1.80 113.55 109.48 2ysm h SER 67 Ca -0.04 0.10 0.15 0.00 -0.84 0.00 0.00 61.79 61.16 2ysm h SER 67 Cb 0.39 0.31 -0.12 0.00 0.14 0.00 0.00 62.40 63.12 2ysm h SER 67 CO 0.06 -0.20 -0.02 0.11 -1.14 0.00 0.00 176.83 175.65 2ysm h LYS 68 N -0.22 0.09 -6.01 3.45 1.57 -1.98 -3.40 116.57 110.07 2ysm h LYS 68 Ca 0.02 -0.01 -0.73 0.00 -1.87 0.00 0.00 60.65 58.06 2ysm h LYS 68 Cb 0.28 -0.02 -0.02 0.00 0.08 0.00 0.00 32.23 32.55 2ysm h LYS 68 CO -0.22 0.06 1.30 -0.12 -0.57 0.00 0.00 179.45 179.90 2ysm n MET 69 N -5.34 0.54 -2.63 3.15 1.56 -0.68 -3.89 117.12 109.83 2ysm n MET 69 Ca 0.11 0.15 -0.43 0.00 -0.27 0.00 0.00 57.70 57.27 2ysm n MET 69 Cb 0.42 -1.94 -0.02 0.00 2.15 0.00 0.00 33.22 33.82 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 6.21 4.01 -0.14 -0.89 1.43 -0.16 -4.80 118.68 124.33 2ysm s LEU 70 Ca 1.13 1.21 -0.15 0.00 -1.03 0.00 0.00 54.13 55.29 2ysm s LEU 70 Cb -1.20 -3.54 -0.04 0.00 0.03 0.00 0.00 46.19 41.43 2ysm s LEU 70 CO 0.60 -0.80 0.37 -0.69 0.23 0.00 0.00 176.35 176.05 2ysm s VAL 71 N 3.50 5.25 0.86 -1.59 1.01 -1.26 -2.22 120.40 125.95 2ysm s VAL 71 Ca 0.46 0.72 -0.11 0.00 0.00 0.00 0.00 61.98 63.04 2ysm s VAL 71 Cb -0.14 -3.71 0.11 0.00 0.00 0.00 0.00 36.38 32.64 2ysm s VAL 71 CO 0.12 0.37 1.09 0.00 0.00 0.00 0.00 175.10 176.68 2ysm n ASP 73 N -3.76 0.36 -0.01 0.00 8.00 -1.25 -3.59 116.55 116.31 2ysm n ASP 73 Ca 0.08 0.00 -0.01 0.00 0.71 0.00 0.00 54.79 55.57 2ysm n ASP 73 Cb 0.55 1.41 -0.00 0.00 -0.02 0.00 0.00 41.12 43.05 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 -2.47 0.19 0.39 -3.53 -1.04 -1.26 -4.55 114.28 102.01 2ysm n THR 74 Ca -0.18 0.46 0.12 0.00 -2.04 0.00 0.00 64.05 62.41 2ysm n THR 74 Cb 0.85 -1.62 0.27 0.00 -1.82 0.00 0.00 70.33 68.00 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 -2.74 -3.49 -4.95 0.00 -0.08 -1.24 -4.90 116.55 99.16 2ysm n ASP 76 Ca 0.05 -0.63 -0.23 0.00 -1.51 0.00 0.00 54.79 52.47 2ysm n ASP 76 Cb 0.49 -4.88 0.01 0.00 2.34 0.00 0.00 41.12 39.08 2ysm n ASP 76 CO 0.00 0.00 0.00 -0.54 0.12 0.00 0.00 177.20 176.78 2ysm s LYS 77 N -5.82 3.03 -0.16 -0.67 -0.14 -1.26 -4.65 119.74 110.07 2ysm s LYS 77 Ca 0.23 -0.49 -0.02 0.00 -1.36 0.00 0.00 55.97 54.33 2ysm s LYS 77 Cb -0.10 -2.55 -0.02 0.00 -1.68 0.00 0.00 37.83 33.48 2ysm s LYS 77 CO 0.75 -0.31 -0.08 0.20 -0.76 0.00 0.00 175.35 175.15 2ysm s GLY 78 N -4.23 1.63 -0.18 -3.33 0.00 -1.26 -1.51 107.32 98.43 2ysm s GLY 78 Ca 0.49 -0.91 -0.04 0.00 0.00 0.00 0.00 44.72 44.25 2ysm s GLY 78 CO 0.38 -0.02 0.28 -0.19 0.00 0.00 0.00 173.10 173.55 2ysm s TYR 79 N 0.57 -0.46 0.28 1.90 2.02 -0.94 -3.99 117.35 116.73 2ysm s TYR 79 Ca -0.05 0.73 -0.30 0.00 -0.37 0.00 0.00 57.07 57.07 2ysm s TYR 79 Cb -0.15 -0.12 -0.12 0.00 -0.40 0.00 0.00 41.96 41.17 2ysm s TYR 79 CO 0.03 -0.51 1.52 0.72 -1.57 0.00 0.00 175.55 175.74 2ysm n HIS 80 N 5.34 2.60 -0.33 2.71 8.25 -1.26 -0.99 115.22 131.54 2ysm n HIS 80 Ca -0.06 0.33 0.17 0.00 -0.26 0.00 0.00 57.72 57.90 2ysm n HIS 80 Cb 0.50 -2.54 0.37 0.00 1.12 0.00 0.00 29.99 29.43 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 3.21 0.50 0.00 1.59 1.35 -1.88 0.66 112.91 118.34 2ysm h THR 81 Ca -0.46 -0.18 -0.10 0.00 -0.55 0.00 0.00 66.41 65.13 2ysm h THR 81 Cb 1.24 -0.05 -0.01 0.00 -1.73 0.00 0.00 68.15 67.60 2ysm h THR 81 CO 0.77 0.09 -0.46 2.19 -0.25 0.00 0.00 175.52 177.87 2ysm h PHE 82 N 0.51 0.00 -0.28 4.73 -0.00 -1.89 0.15 116.94 120.17 2ysm h PHE 82 Ca 0.63 0.00 -0.09 0.00 -0.00 0.00 0.00 57.97 58.50 2ysm h PHE 82 Cb 1.20 0.00 -0.05 0.00 -0.00 0.00 0.00 35.95 37.10 2ysm h PHE 82 CO -0.05 0.46 0.12 0.00 -0.00 0.00 0.00 178.31 178.84 2ysm s LEU 84 N -1.06 3.49 -0.30 0.00 1.43 -1.07 -4.72 118.68 116.45 2ysm s LEU 84 Ca 0.20 -0.19 0.00 0.00 -1.03 0.00 0.00 54.13 53.11 2ysm s LEU 84 Cb 0.16 -2.20 0.09 0.00 0.03 0.00 0.00 46.19 44.27 2ysm s LEU 84 CO 0.05 0.15 0.06 -1.58 0.23 0.00 0.00 176.35 175.26 2ysm s GLN 85 N -2.47 1.01 0.89 1.70 0.74 -1.26 -1.46 119.66 118.81 2ysm s GLN 85 Ca 0.27 -1.21 -0.15 0.00 0.05 0.00 0.00 55.36 54.31 2ysm s GLN 85 Cb -0.11 -2.36 0.22 0.00 1.10 0.00 0.00 33.01 31.86 2ysm s GLN 85 CO 0.19 -0.90 0.79 -0.35 -0.55 0.00 0.00 175.29 174.46 2ysm n PRO 86 N 4.70 -2.56 -3.01 1.67 -0.04 -1.26 -5.10 135.00 129.39 2ysm n PRO 86 Ca -0.02 -1.26 -0.32 0.00 -0.04 0.00 0.00 63.50 61.85 2ysm n PRO 86 Cb 0.43 -1.18 -0.06 0.00 -0.04 0.00 0.00 33.50 32.64 2ysm n PRO 86 CO 0.00 0.00 0.00 0.08 -0.04 0.00 0.00 175.50 175.54 2ysm s VAL 87 N -2.42 4.59 -0.05 0.52 1.01 -0.53 -5.00 120.40 118.52 2ysm s VAL 87 Ca 0.51 1.10 -0.09 0.00 0.00 0.00 0.00 61.98 63.50 2ysm s VAL 87 Cb -0.05 -3.61 -0.05 0.00 0.00 0.00 0.00 36.38 32.67 2ysm s VAL 87 CO 0.39 -0.25 0.25 -0.04 0.00 0.00 0.00 175.10 175.45 2ysm s MET 88 N -3.11 3.61 -0.18 2.72 -1.94 0.03 -4.99 119.30 115.44 2ysm s MET 88 Ca 0.56 0.04 -0.07 0.00 -1.71 0.00 0.00 55.69 54.52 2ysm s MET 88 Cb -0.10 -3.17 -0.22 0.00 2.01 0.00 0.00 34.83 33.35 2ysm s MET 88 CO 0.17 0.72 0.14 1.63 -0.01 0.00 0.00 175.02 177.67 2ysm n LYS 89 N 1.73 0.69 -4.34 2.03 4.01 -1.26 -4.52 118.16 116.50 2ysm n LYS 89 Ca -0.16 0.28 -0.19 0.00 -0.51 0.00 0.00 58.31 57.73 2ysm n LYS 89 Cb 0.54 -1.65 -0.09 0.00 -0.51 0.00 0.00 35.03 33.32 2ysm n LYS 89 CO 0.00 0.00 0.00 -1.54 -1.11 0.00 0.00 177.40 174.75 2ysm s SER 90 N -6.92 1.62 -0.23 4.39 1.04 -1.26 -5.13 113.70 107.21 2ysm s SER 90 Ca -0.28 -1.59 -0.08 0.00 0.48 0.00 0.00 55.95 54.48 2ysm s SER 90 Cb 0.08 0.42 -0.04 0.00 0.10 0.00 0.00 66.02 66.58 2ysm s SER 90 CO 0.68 -0.91 0.10 -0.69 0.98 0.00 0.00 173.24 173.40 2ysm s VAL 91 N -3.57 4.79 -0.45 5.02 1.01 -1.26 -5.05 120.40 120.90 2ysm s VAL 91 Ca 0.35 -0.02 -0.28 0.00 0.00 0.00 0.00 61.98 62.04 2ysm s VAL 91 Cb 0.04 -3.22 -0.01 0.00 0.00 0.00 0.00 36.38 33.19 2ysm s VAL 91 CO 0.18 0.36 1.76 -2.16 0.00 0.00 0.00 175.10 175.24 2ysm s PRO 92 N 1.19 3.11 0.48 2.72 0.04 -1.26 -4.86 135.00 136.42 2ysm s PRO 92 Ca 0.05 1.04 0.14 0.00 0.04 0.00 0.00 61.00 62.28 2ysm s PRO 92 Cb -0.14 -4.24 1.15 0.00 0.04 0.00 0.00 34.50 31.31 2ysm s PRO 92 CO 0.04 -2.13 2.09 1.79 0.04 0.00 0.00 177.00 178.83 2ysm h THR 93 N 6.78 0.99 -0.08 1.26 1.35 -2.05 -2.41 112.91 118.75 2ysm h THR 93 Ca -0.30 -0.07 -0.01 0.00 -0.55 0.00 0.00 66.41 65.49 2ysm h THR 93 Cb 1.16 0.78 -0.00 0.00 -1.73 0.00 0.00 68.15 68.35 2ysm h THR 93 CO 1.11 0.03 0.02 -0.55 -0.25 0.00 0.00 175.52 175.88 2ysm h ASN 94 N 0.19 0.12 0.00 5.36 7.08 -2.06 -3.48 115.58 122.80 2ysm h ASN 94 Ca 0.10 -0.25 0.00 0.00 -3.08 0.00 0.00 56.30 53.07 2ysm h ASN 94 Cb 0.15 -0.03 0.00 0.00 -2.08 0.00 0.00 38.32 36.36 2ysm h ASN 94 CO -0.02 0.34 0.00 0.61 -2.08 0.00 0.00 177.43 176.28 2ysm n GLY 95 N -0.45 3.58 3.63 9.14 0.00 -0.91 -5.17 105.19 115.02 2ysm n GLY 95 Ca -0.06 -0.26 -0.28 0.00 0.00 0.00 0.00 46.02 45.42 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 -1.21 2.80 -0.08 1.61 -0.00 -1.26 -4.83 118.94 115.98 2ysm s TRP 96 Ca 0.00 -0.14 -0.02 0.00 -0.00 0.00 0.00 56.10 55.93 2ysm s TRP 96 Cb 0.00 -1.39 0.04 0.00 -0.00 0.00 0.00 33.47 32.12 2ysm s TRP 96 CO 0.00 0.50 0.06 0.21 -0.00 0.00 0.00 176.95 177.71 2ysm s LYS 97 N -2.72 0.08 0.94 5.86 2.20 -1.26 -3.76 119.74 121.08 2ysm s LYS 97 Ca 0.26 0.22 -0.12 0.00 -0.36 0.00 0.00 55.97 55.97 2ysm s LYS 97 Cb -0.10 -0.89 0.15 0.00 -1.51 0.00 0.00 37.83 35.48 2ysm s LYS 97 CO 0.17 -0.40 1.09 0.00 -0.36 0.00 0.00 175.35 175.85 2ysm h LYS 99 N -1.69 0.83 -0.02 0.00 3.64 -1.98 -0.00 116.57 117.34 2ysm h LYS 99 Ca -0.51 -0.34 0.01 0.00 -1.27 0.00 0.00 60.65 58.54 2ysm h LYS 99 Cb 1.30 -0.04 -0.00 0.00 -0.41 0.00 0.00 32.23 33.08 2ysm h LYS 99 CO 0.55 0.97 0.02 -0.97 -2.27 0.00 0.00 179.45 177.75 2ysm h ASN 100 N 0.72 0.00 0.00 4.20 -0.73 -1.99 -2.65 115.58 115.13 2ysm h ASN 100 Ca 0.10 0.00 -0.19 0.00 1.87 0.00 0.00 56.30 58.08 2ysm h ASN 100 Cb 0.74 0.00 -0.03 0.00 0.27 0.00 0.00 38.32 39.30 2ysm h ASN 100 CO 0.06 0.00 -1.27 0.00 -0.37 0.00 0.00 177.43 175.85 2ysm h ARG 102 N -1.00 0.00 -4.07 0.00 0.11 -0.90 -3.43 114.38 105.09 2ysm h ARG 102 Ca -0.29 0.00 -0.45 0.00 0.10 0.00 0.00 59.98 59.33 2ysm h ARG 102 Cb 1.13 0.00 0.07 0.00 1.11 0.00 0.00 29.97 32.28 2ysm h ARG 102 CO -0.18 0.00 -0.36 -0.89 0.10 0.00 0.00 179.97 178.64 2ysm n ILE 103 N -3.92 1.35 -3.49 0.08 2.08 -1.01 -1.78 119.36 112.66 2ysm n ILE 103 Ca 0.36 -0.34 -0.18 0.00 0.56 0.00 0.00 62.75 63.15 2ysm n ILE 103 Cb 1.72 0.00 0.08 0.00 -0.75 0.00 0.00 39.64 40.69 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 -3.40 4.90 -0.23 0.00 2.07 -0.73 -5.02 121.20 118.78 2ysm s ILE 105 Ca 0.06 0.79 -0.22 0.00 -1.41 0.00 0.00 60.65 59.87 2ysm s ILE 105 Cb -0.03 -4.04 0.06 0.00 0.13 0.00 0.00 42.46 38.58 2ysm s ILE 105 CO 0.74 -0.22 0.62 -0.55 -1.91 0.00 0.00 174.94 173.62 2ysm s SER 106 N 1.70 -0.65 0.79 4.50 0.15 -1.26 -5.16 113.70 113.78 2ysm s SER 106 Ca 0.26 1.24 -0.15 0.00 0.70 0.00 0.00 55.95 58.00 2ysm s SER 106 Cb -0.15 1.26 -0.03 0.00 -1.71 0.00 0.00 66.02 65.40 2ysm s SER 106 CO 0.13 -0.22 0.43 0.61 1.20 0.00 0.00 173.24 175.40 2ysm n GLY 107 N 2.73 -1.81 3.77 9.45 0.00 -1.26 -4.94 105.19 113.14 2ysm n GLY 107 Ca -0.14 -0.49 -0.34 0.00 0.00 0.00 0.00 46.02 45.06 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 -2.93 2.98 -0.21 1.61 0.04 -1.26 -5.05 135.00 130.19 2ysm s PRO 108 Ca 0.62 1.46 0.01 0.00 0.04 0.00 0.00 61.00 63.13 2ysm s PRO 108 Cb -0.31 -1.97 0.04 0.00 0.04 0.00 0.00 34.50 32.30 2ysm s PRO 108 CO 0.62 -1.12 -0.13 0.45 0.04 0.00 0.00 177.00 176.86 2ysm s SER 109 N -2.33 3.57 -0.42 6.66 0.15 -1.26 -5.09 113.70 114.98 2ysm s SER 109 Ca 0.69 -0.95 -0.14 0.00 0.70 0.00 0.00 55.95 56.25 2ysm s SER 109 Cb -0.22 -1.36 0.04 0.00 -1.71 0.00 0.00 66.02 62.78 2ysm s SER 109 CO 0.37 -0.12 0.31 -0.44 1.20 0.00 0.00 173.24 174.56 2ysm s SER 110 N 1.31 6.04 0.00 5.45 0.01 -1.26 -5.34 113.70 119.91 2ysm s SER 110 Ca -0.02 -1.08 0.00 0.00 1.31 0.00 0.00 55.95 56.17 2ysm s SER 110 Cb -0.16 -2.14 0.00 0.00 0.21 0.00 0.00 66.02 63.93 2ysm s SER 110 CO -0.09 -0.50 0.00 0.61 0.41 0.00 0.00 173.24 173.67