#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 -3.58 -4.26 1.61 3.41 -1.26 -5.00 113.62 104.53 2ysm n SER 2 Ca 0.00 0.38 -0.24 0.00 -0.26 0.00 0.00 58.87 58.75 2ysm n SER 2 Cb 0.00 -0.99 -0.13 0.00 -0.26 0.00 0.00 64.21 62.83 2ysm n SER 2 CO 0.00 0.00 0.00 -0.55 -0.16 0.00 0.00 175.04 174.33 2ysm s SER 3 N -1.37 2.43 -0.64 4.04 0.15 -1.26 -4.88 113.70 112.17 2ysm s SER 3 Ca 0.53 -0.62 -0.00 0.00 0.70 0.00 0.00 55.95 56.55 2ysm s SER 3 Cb -0.27 -0.15 0.00 0.00 -1.71 0.00 0.00 66.02 63.89 2ysm s SER 3 CO 0.71 0.08 0.61 0.61 1.20 0.00 0.00 173.24 176.45 2ysm n GLY 4 N 1.35 -1.12 3.12 9.45 0.00 -1.26 -5.01 105.19 111.73 2ysm n GLY 4 Ca -0.19 0.41 -0.35 0.00 0.00 0.00 0.00 46.02 45.89 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 -2.86 5.00 -0.07 1.61 0.15 -1.26 -5.06 113.70 111.20 2ysm s SER 5 Ca 0.01 -1.71 -0.03 0.00 0.70 0.00 0.00 55.95 54.92 2ysm s SER 5 Cb -0.00 -1.74 0.04 0.00 -1.71 0.00 0.00 66.02 62.61 2ysm s SER 5 CO 0.66 -0.39 0.06 -0.44 1.20 0.00 0.00 173.24 174.33 2ysm s SER 6 N 1.41 1.41 1.00 5.45 0.01 -1.26 -5.15 113.70 116.57 2ysm s SER 6 Ca 0.02 -0.07 -0.12 0.00 1.31 0.00 0.00 55.95 57.09 2ysm s SER 6 Cb -0.21 -0.17 0.19 0.00 0.21 0.00 0.00 66.02 66.04 2ysm s SER 6 CO -0.04 -0.27 1.08 -0.83 0.41 0.00 0.00 173.24 173.60 2ysm s GLY 7 N 2.16 1.60 -0.77 3.44 0.00 -1.26 -4.90 107.32 107.59 2ysm s GLY 7 Ca 0.04 -0.01 -0.26 0.00 0.00 0.00 0.00 44.72 44.49 2ysm s GLY 7 CO -0.04 0.55 1.52 0.00 0.00 0.00 0.00 173.10 175.13 2ysm s ALA 8 N -2.74 2.49 0.52 3.20 0.00 -1.26 -4.98 121.76 118.99 2ysm s ALA 8 Ca 0.66 -1.35 0.08 0.00 0.00 0.00 0.00 51.96 51.34 2ysm s ALA 8 Cb -0.21 -4.35 0.04 0.00 0.00 0.00 0.00 23.12 18.61 2ysm s ALA 8 CO 0.60 -3.65 0.57 -0.80 0.00 0.00 0.00 175.76 172.47 2ysm s ASN 9 N 5.49 5.01 0.14 0.00 -0.87 -1.26 -4.77 114.94 118.68 2ysm s ASN 9 Ca 0.49 -0.90 -0.31 0.00 -1.57 0.00 0.00 52.86 50.56 2ysm s ASN 9 Cb -0.08 0.06 -0.08 0.00 -0.02 0.00 0.00 41.25 41.13 2ysm s ASN 9 CO 0.11 -1.07 1.42 0.00 -2.57 0.00 0.00 177.10 174.98 2ysm n ALA 11 N 3.76 2.52 -0.06 0.00 0.00 -1.19 -0.36 120.51 125.18 2ysm n ALA 11 Ca 0.11 -0.36 -0.08 0.00 0.00 0.00 0.00 53.44 53.11 2ysm n ALA 11 Cb 0.42 -1.11 -0.05 0.00 0.00 0.00 0.00 19.45 18.71 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 0.64 -0.02 0.00 0.31 -1.26 -4.81 118.33 113.15 2ysm n VAL 12 Ca 0.12 -0.24 -0.02 0.00 -0.01 0.00 0.00 64.34 64.20 2ysm n VAL 12 Cb 0.21 -0.93 -0.04 0.00 -0.91 0.00 0.00 33.84 32.17 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 -2.11 -2.21 -3.95 0.00 2.03 0.51 -5.00 116.55 105.83 2ysm n ASP 14 Ca -0.07 -0.16 -0.13 0.00 0.52 0.00 0.00 54.79 54.95 2ysm n ASP 14 Cb 0.58 -1.73 -0.13 0.00 -0.72 0.00 0.00 41.12 39.12 2ysm n ASP 14 CO 0.00 0.00 0.00 -0.55 -1.92 0.00 0.00 177.20 174.73 2ysm s SER 15 N -3.31 0.39 -0.02 1.67 0.15 -1.26 -4.81 113.70 106.51 2ysm s SER 15 Ca 0.03 -0.19 -0.25 0.00 0.70 0.00 0.00 55.95 56.24 2ysm s SER 15 Cb -0.01 -0.01 -0.19 0.00 -1.71 0.00 0.00 66.02 64.10 2ysm s SER 15 CO 0.19 -0.05 1.21 1.55 1.20 0.00 0.00 173.24 177.34 2ysm h PRO 16 N 5.64 -0.09 0.00 5.44 0.13 -1.96 -3.20 132.00 137.96 2ysm h PRO 16 Ca -0.28 0.01 0.00 0.00 -0.87 0.00 0.00 66.00 64.85 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 0.48 0.36 0.00 0.41 -0.23 0.00 0.00 178.00 179.02 2ysm n GLY 17 N 0.19 1.92 3.25 1.56 0.00 -1.26 -3.91 105.19 106.94 2ysm n GLY 17 Ca -0.08 0.39 -0.35 0.00 0.00 0.00 0.00 46.02 45.98 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 -3.79 4.19 -0.05 1.61 -1.08 -1.26 -4.99 116.67 111.29 2ysm s ASP 18 Ca 0.00 -0.62 -0.23 0.00 -0.52 0.00 0.00 52.55 51.19 2ysm s ASP 18 Cb 0.00 -1.68 -0.28 0.00 -1.46 0.00 0.00 42.92 39.49 2ysm s ASP 18 CO 0.00 -0.07 0.94 -0.07 0.52 0.00 0.00 175.17 176.49 2ysm h LEU 19 N 8.06 0.39 -0.69 -1.34 4.07 -1.91 -3.12 115.31 120.77 2ysm h LEU 19 Ca -0.38 -0.90 -0.06 0.00 0.08 0.00 0.00 57.88 56.61 2ysm h LEU 19 Cb 1.14 -0.13 -0.03 0.00 1.08 0.00 0.00 40.66 42.72 2ysm h LEU 19 CO 0.60 1.26 0.18 -0.07 -1.08 0.00 0.00 178.44 179.32 2ysm h LEU 20 N -0.41 1.03 -0.03 1.67 3.38 -1.95 -3.07 115.31 115.94 2ysm h LEU 20 Ca -0.10 -0.23 0.02 0.00 0.09 0.00 0.00 57.88 57.67 2ysm h LEU 20 Cb 1.42 -0.27 -0.03 0.00 0.09 0.00 0.00 40.66 41.87 2ysm h LEU 20 CO 0.11 0.99 -0.10 -0.78 0.09 0.00 0.00 178.44 178.76 2ysm h ASP 21 N 1.02 -0.30 -4.45 -0.43 3.58 -1.99 -3.43 116.42 110.42 2ysm h ASP 21 Ca 0.22 0.05 -0.48 0.00 0.42 0.00 0.00 57.03 57.24 2ysm h ASP 21 Cb 0.36 0.13 0.10 0.00 1.72 0.00 0.00 39.33 41.64 2ysm h ASP 21 CO 0.00 -0.14 0.38 0.00 -2.88 0.00 0.00 179.24 176.60 2ysm s GLN 22 N -6.16 2.14 0.66 0.28 -2.07 -1.16 -4.88 119.66 108.46 2ysm s GLN 22 Ca -0.14 0.35 -0.11 0.00 -1.82 0.00 0.00 55.36 53.63 2ysm s GLN 22 Cb 0.08 -1.95 -0.01 0.00 -1.09 0.00 0.00 33.01 30.04 2ysm s GLN 22 CO 0.67 -1.52 1.06 -0.06 -1.32 0.00 0.00 175.29 174.12 2ysm s PHE 23 N -3.38 3.47 -0.17 9.60 0.40 -1.16 -4.90 117.98 121.83 2ysm s PHE 23 Ca 0.61 1.19 -0.03 0.00 -0.60 0.00 0.00 56.93 58.09 2ysm s PHE 23 Cb -0.12 -2.88 0.06 0.00 0.51 0.00 0.00 43.02 40.58 2ysm s PHE 23 CO 0.52 -0.93 0.05 0.12 0.70 0.00 0.00 175.22 175.67 2ysm s PHE 24 N -3.25 0.72 0.79 0.36 5.36 -1.26 -3.16 117.98 117.54 2ysm s PHE 24 Ca 0.57 -0.61 -0.13 0.00 -0.96 0.00 0.00 56.93 55.80 2ysm s PHE 24 Cb -0.11 -0.89 0.07 0.00 -0.34 0.00 0.00 43.02 41.75 2ysm s PHE 24 CO 0.53 -0.55 1.19 0.00 -1.46 0.00 0.00 175.22 174.94 2ysm n THR 26 N -3.23 1.21 0.06 0.00 -2.24 -1.26 -3.42 114.28 105.41 2ysm n THR 26 Ca 0.13 -0.60 -0.03 0.00 -2.27 0.00 0.00 64.05 61.28 2ysm n THR 26 Cb 0.51 -0.91 -0.01 0.00 -2.10 0.00 0.00 70.33 67.82 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 0.10 4.28 2.02 -1.93 -3.37 112.91 114.01 2ysm h THR 27 Ca -0.48 -0.09 -0.28 0.00 0.77 0.00 0.00 66.41 66.34 2ysm h THR 27 Cb 1.91 0.00 -0.01 0.00 -1.74 0.00 0.00 68.15 68.31 2ysm h THR 27 CO -0.02 0.00 -1.37 0.00 0.37 0.00 0.00 175.52 174.49 2ysm n GLY 29 N 1.58 0.88 3.98 0.00 0.00 -1.22 -5.05 105.19 105.35 2ysm n GLY 29 Ca -0.12 -0.59 -0.20 0.00 0.00 0.00 0.00 46.02 45.11 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 -3.63 2.87 0.04 1.61 -1.52 -1.26 -4.77 119.66 113.01 2ysm s GLN 30 Ca 0.00 -0.86 0.07 0.00 -1.95 0.00 0.00 55.36 52.62 2ysm s GLN 30 Cb 0.00 -2.64 -0.02 0.00 -0.22 0.00 0.00 33.01 30.12 2ysm s GLN 30 CO 0.00 -0.32 -0.19 -1.01 -0.25 0.00 0.00 175.29 173.52 2ysm s HIS 31 N -2.48 1.69 -0.19 0.91 3.76 -1.26 -1.18 115.29 116.53 2ysm s HIS 31 Ca 0.52 -0.37 -0.07 0.00 -0.15 0.00 0.00 55.06 54.98 2ysm s HIS 31 Cb -0.10 -1.00 0.09 0.00 1.11 0.00 0.00 32.58 32.67 2ysm s HIS 31 CO 0.35 0.08 0.42 0.71 -0.85 0.00 0.00 174.74 175.46 2ysm s TYR 32 N -0.82 -0.77 0.90 1.40 1.51 -1.19 -3.19 117.35 115.20 2ysm s TYR 32 Ca 0.06 1.49 -0.11 0.00 -1.01 0.00 0.00 57.07 57.50 2ysm s TYR 32 Cb -0.09 0.30 0.14 0.00 -0.11 0.00 0.00 41.96 42.20 2ysm s TYR 32 CO 0.02 -0.46 1.10 -1.01 -1.11 0.00 0.00 175.55 174.09 2ysm s HIS 33 N 2.43 1.99 0.22 2.71 3.76 -1.26 -3.01 115.29 122.12 2ysm s HIS 33 Ca -0.03 1.54 0.05 0.00 -0.15 0.00 0.00 55.06 56.47 2ysm s HIS 33 Cb -0.11 -3.19 0.19 0.00 1.11 0.00 0.00 32.58 30.57 2ysm s HIS 33 CO -0.13 -2.59 1.51 0.78 -0.85 0.00 0.00 174.74 173.47 2ysm h GLY 34 N -1.70 0.21 2.00 -2.22 0.00 -1.90 -3.11 103.07 96.35 2ysm h GLY 34 Ca -0.47 -0.29 -0.14 0.00 0.00 0.00 0.00 47.33 46.43 2ysm h GLY 34 CO 0.48 0.26 -0.64 0.00 0.00 0.00 0.00 176.54 176.64 2ysm h MET 35 N 0.13 0.00 0.00 4.80 -0.00 -1.92 1.81 114.93 119.75 2ysm h MET 35 Ca -0.02 0.00 -0.05 0.00 -0.00 0.00 0.00 59.70 59.64 2ysm h MET 35 Cb 1.22 0.00 -0.01 0.00 -0.00 0.00 0.00 31.60 32.82 2ysm h MET 35 CO 0.10 0.64 -0.23 0.00 -0.00 0.00 0.00 176.91 177.43 2ysm n LEU 37 N -3.43 0.10 -1.94 0.00 4.32 -1.19 -5.01 117.00 109.86 2ysm n LEU 37 Ca -0.00 -0.48 -0.11 0.00 -0.02 0.00 0.00 56.01 55.40 2ysm n LEU 37 Cb 0.41 0.00 0.04 0.00 -1.62 0.00 0.00 43.42 42.25 2ysm n LEU 37 CO 0.33 0.03 0.11 -0.67 -1.22 0.00 0.00 177.39 175.96 2ysm n ASP 38 N -0.77 -3.74 -4.81 -1.43 2.03 0.56 -5.03 116.55 103.35 2ysm n ASP 38 Ca 0.00 -0.25 -0.36 0.00 0.52 0.00 0.00 54.79 54.70 2ysm n ASP 38 Cb 0.00 -2.58 -0.07 0.00 -0.72 0.00 0.00 41.12 37.75 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 -3.15 5.07 -0.32 5.18 1.01 0.21 -4.98 121.20 124.23 2ysm s ILE 39 Ca 0.23 -0.03 -0.21 0.00 0.00 0.00 0.00 60.65 60.65 2ysm s ILE 39 Cb -0.10 -3.22 -0.00 0.00 0.01 0.00 0.00 42.46 39.15 2ysm s ILE 39 CO 0.33 0.56 0.67 0.00 0.00 0.00 0.00 174.94 176.50 2ysm s ALA 40 N -1.03 3.51 -0.78 9.38 0.00 -1.26 -4.60 121.76 126.97 2ysm s ALA 40 Ca 0.17 -0.65 -0.24 0.00 0.00 0.00 0.00 51.96 51.23 2ysm s ALA 40 Cb -0.12 -3.17 -0.15 0.00 0.00 0.00 0.00 23.12 19.68 2ysm s ALA 40 CO 0.06 -1.18 2.40 0.28 0.00 0.00 0.00 175.76 177.32 2ysm n VAL 41 N 5.49 -0.01 -3.93 0.00 0.31 -1.26 -4.91 118.33 114.02 2ysm n VAL 41 Ca 0.00 -0.53 -0.31 0.00 -0.01 0.00 0.00 64.34 63.49 2ysm n VAL 41 Cb 0.49 -1.89 -0.04 0.00 -0.91 0.00 0.00 33.84 31.49 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 13.14 5.33 -2.00 2.52 -1.32 -1.26 -4.98 115.64 127.07 2ysm s THR 42 Ca 0.98 -0.38 0.07 0.00 -1.21 0.00 0.00 61.69 61.16 2ysm s THR 42 Cb -0.22 -3.58 0.21 0.00 -1.51 0.00 0.00 72.50 67.41 2ysm s THR 42 CO 0.15 0.17 0.90 -0.81 -2.21 0.00 0.00 174.62 172.82 2ysm n PRO 43 N 0.43 0.49 -0.09 7.08 -0.04 -1.26 -3.00 135.00 138.60 2ysm n PRO 43 Ca -0.06 0.00 -0.15 0.00 -0.04 0.00 0.00 63.50 63.25 2ysm n PRO 43 Cb 0.51 -1.24 -0.05 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 -0.74 1.76 0.11 1.53 0.00 -1.26 -4.48 117.00 113.91 2ysm n LEU 44 Ca 0.06 0.30 -0.12 0.00 0.00 0.00 0.00 56.01 56.24 2ysm n LEU 44 Cb 0.03 -0.69 -0.06 0.00 0.00 0.00 0.00 43.42 42.70 2ysm n LEU 44 CO 0.04 -0.00 0.73 0.11 0.00 0.00 0.00 177.39 178.27 2ysm h LYS 45 N -0.85 -0.36 -0.94 1.96 1.57 -1.75 -2.52 116.57 113.68 2ysm h LYS 45 Ca -0.25 0.02 0.24 0.00 -1.87 0.00 0.00 60.65 58.80 2ysm h LYS 45 Cb 1.13 0.08 -0.18 0.00 0.08 0.00 0.00 32.23 33.34 2ysm h LYS 45 CO -0.15 -0.24 -0.04 0.54 -0.57 0.00 0.00 179.45 178.98 2ysm n ARG 46 N -5.32 -0.08 -2.43 3.15 1.74 -1.16 -1.69 116.66 110.87 2ysm n ARG 46 Ca -0.07 1.42 -0.38 0.00 -0.77 0.00 0.00 57.85 58.06 2ysm n ARG 46 Cb 0.24 -2.23 -0.03 0.00 -1.02 0.00 0.00 32.46 29.42 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 -5.99 2.49 0.00 7.54 0.00 -0.95 -3.66 121.76 121.19 2ysm s ALA 47 Ca -0.13 -1.86 0.00 0.00 0.00 0.00 0.00 51.96 49.97 2ysm s ALA 47 Cb 0.27 -4.47 0.00 0.00 0.00 0.00 0.00 23.12 18.92 2ysm s ALA 47 CO 0.73 -3.81 0.00 0.41 0.00 0.00 0.00 175.76 173.10 2ysm n GLY 48 N 6.54 0.47 3.83 0.00 0.00 -1.21 -4.97 105.19 109.86 2ysm n GLY 48 Ca 0.28 -0.42 -0.30 0.00 0.00 0.00 0.00 46.02 45.59 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 -2.78 2.91 -0.25 1.61 -0.00 -0.68 -4.98 118.94 114.78 2ysm s TRP 49 Ca 0.00 1.03 -0.04 0.00 -0.00 0.00 0.00 56.10 57.09 2ysm s TRP 49 Cb 0.00 -3.20 0.13 0.00 -0.00 0.00 0.00 33.47 30.40 2ysm s TRP 49 CO 0.00 -1.73 0.44 -0.65 -0.00 0.00 0.00 176.95 175.01 2ysm s GLN 50 N -5.28 0.40 0.79 5.86 -0.21 -1.26 -4.36 119.66 115.60 2ysm s GLN 50 Ca 0.61 0.78 -0.15 0.00 0.02 0.00 0.00 55.36 56.61 2ysm s GLN 50 Cb -0.13 -0.04 -0.03 0.00 1.00 0.00 0.00 33.01 33.81 2ysm s GLN 50 CO 0.53 -0.53 0.42 0.00 -2.12 0.00 0.00 175.29 173.59 2ysm n PRO 52 N -0.80 0.22 0.03 0.00 -0.04 -1.26 -0.19 135.00 132.97 2ysm n PRO 52 Ca 0.09 0.14 0.11 0.00 -0.04 0.00 0.00 63.50 63.79 2ysm n PRO 52 Cb 0.51 -1.50 -0.06 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 -1.27 0.45 -0.01 0.54 1.02 -1.26 -4.37 120.64 115.74 2ysm n GLU 53 Ca 0.07 -0.04 0.01 0.00 -0.02 0.00 0.00 57.16 57.17 2ysm n GLU 53 Cb 0.11 -1.61 -0.03 0.00 -0.02 0.00 0.00 31.44 29.89 2ysm n GLU 53 CO 0.00 0.00 0.00 0.00 1.18 0.00 0.00 177.13 178.31 2ysm s LYS 55 N -2.23 4.09 0.29 0.00 2.20 0.74 -4.98 119.74 119.83 2ysm s LYS 55 Ca -0.02 2.25 0.00 0.00 -0.36 0.00 0.00 55.97 57.85 2ysm s LYS 55 Cb 0.02 -2.87 -0.02 0.00 -1.51 0.00 0.00 37.83 33.44 2ysm s LYS 55 CO 0.18 -0.43 0.30 0.14 -0.36 0.00 0.00 175.35 175.19 2ysm s VAL 56 N -1.20 0.00 0.69 4.02 -7.23 -1.26 -4.93 120.40 110.48 2ysm s VAL 56 Ca 0.54 -1.84 -0.16 0.00 -1.81 0.00 0.00 61.98 58.71 2ysm s VAL 56 Cb -0.40 -2.50 0.01 0.00 0.56 0.00 0.00 36.38 34.05 2ysm s VAL 56 CO 0.53 0.00 1.20 0.00 -0.31 0.00 0.00 175.10 176.51 2ysm n GLN 58 N -2.39 0.51 -0.05 0.00 1.13 -1.25 -3.09 117.38 112.24 2ysm n GLN 58 Ca 0.13 -0.12 -0.12 0.00 -1.94 0.00 0.00 57.00 54.95 2ysm n GLN 58 Cb 0.50 -1.32 -0.11 0.00 0.11 0.00 0.00 30.24 29.42 2ysm n GLN 58 CO 0.00 0.00 0.00 -0.91 -1.44 0.00 0.00 177.06 174.71 2ysm h ASN 59 N 0.00 -0.01 0.00 1.08 2.35 -1.90 -3.39 115.58 113.71 2ysm h ASN 59 Ca -0.02 -0.80 -0.33 0.00 -0.55 0.00 0.00 56.30 54.60 2ysm h ASN 59 Cb 0.69 0.00 -0.06 0.00 0.05 0.00 0.00 38.32 39.01 2ysm h ASN 59 CO 0.00 0.84 -2.23 0.00 -1.65 0.00 0.00 177.43 174.40 2ysm n LYS 61 N -2.67 -4.51 -3.63 0.00 4.76 -1.18 -5.03 118.16 105.90 2ysm n LYS 61 Ca -0.29 0.54 -0.28 0.00 -2.87 0.00 0.00 58.31 55.41 2ysm n LYS 61 Cb 1.08 -4.67 -0.16 0.00 -1.84 0.00 0.00 35.03 29.44 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 -5.14 0.34 0.33 1.97 -0.21 -1.26 -4.91 119.66 110.77 2ysm s GLN 62 Ca 0.10 -0.50 -0.27 0.00 0.02 0.00 0.00 55.36 54.71 2ysm s GLN 62 Cb -0.05 -1.65 -0.09 0.00 1.00 0.00 0.00 33.01 32.22 2ysm s GLN 62 CO 0.47 -0.86 1.09 -1.54 -2.12 0.00 0.00 175.29 172.33 2ysm s SER 63 N 1.98 7.05 0.00 5.90 1.04 -1.26 -4.61 113.70 123.80 2ysm s SER 63 Ca 0.06 2.20 0.00 0.00 0.48 0.00 0.00 55.95 58.69 2ysm s SER 63 Cb -0.16 -2.61 0.00 0.00 0.10 0.00 0.00 66.02 63.34 2ysm s SER 63 CO -0.23 -0.29 0.00 0.61 0.98 0.00 0.00 173.24 174.31 2ysm n GLY 64 N 0.89 -0.22 2.30 7.32 0.00 -1.26 -5.00 105.19 109.21 2ysm n GLY 64 Ca 0.01 0.27 -0.21 0.00 0.00 0.00 0.00 46.02 46.09 2ysm n GLY 64 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 2ysm n GLU 65 N 0.00 2.32 -0.19 1.61 -0.58 -1.26 -4.61 120.64 117.93 2ysm n GLU 65 Ca 0.00 -1.37 0.00 0.00 -0.42 0.00 0.00 57.16 55.37 2ysm n GLU 65 Cb 0.00 -2.30 0.10 0.00 -0.57 0.00 0.00 31.44 28.67 2ysm n GLU 65 CO 0.00 0.00 0.00 -0.44 -0.48 0.00 0.00 177.13 176.21 2ysm h ASP 66 N 4.74 -0.08 -0.53 1.62 3.32 -1.95 -1.71 116.42 121.83 2ysm h ASP 66 Ca 0.45 0.12 0.11 0.00 0.02 0.00 0.00 57.03 57.72 2ysm h ASP 66 Cb 0.66 0.18 -0.10 0.00 0.22 0.00 0.00 39.33 40.29 2ysm h ASP 66 CO 1.02 -0.02 -0.19 0.28 -1.72 0.00 0.00 179.24 178.61 2ysm h SER 67 N 0.21 -0.66 -0.29 6.45 0.02 -2.04 0.16 113.55 117.40 2ysm h SER 67 Ca 0.30 0.18 -0.19 0.00 -0.84 0.00 0.00 61.79 61.24 2ysm h SER 67 Cb 0.45 0.39 -0.08 0.00 0.14 0.00 0.00 62.40 63.30 2ysm h SER 67 CO -0.42 -0.22 0.24 0.29 -1.14 0.00 0.00 176.83 175.58 2ysm n LYS 68 N -5.40 1.47 -4.00 3.45 5.02 -0.65 -4.75 118.16 113.29 2ysm n LYS 68 Ca 0.05 -0.94 -0.31 0.00 -2.02 0.00 0.00 58.31 55.09 2ysm n LYS 68 Cb 0.31 -1.37 -0.15 0.00 -0.02 0.00 0.00 35.03 33.80 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 -1.08 1.76 -0.63 1.97 1.75 0.57 -0.76 119.30 122.89 2ysm s MET 69 Ca 0.18 -1.37 -0.27 0.00 -1.25 0.00 0.00 55.69 52.99 2ysm s MET 69 Cb 0.15 -2.83 0.01 0.00 2.84 0.00 0.00 34.83 35.00 2ysm s MET 69 CO 0.00 -0.70 1.50 -0.51 -0.65 0.00 0.00 175.02 174.66 2ysm s LEU 70 N 1.17 3.30 -0.53 4.11 1.43 0.31 -4.79 118.68 123.67 2ysm s LEU 70 Ca -0.02 0.09 -0.26 0.00 -1.03 0.00 0.00 54.13 52.91 2ysm s LEU 70 Cb -0.19 -2.77 0.03 0.00 0.03 0.00 0.00 46.19 43.29 2ysm s LEU 70 CO -0.07 -1.93 1.03 -0.69 0.23 0.00 0.00 176.35 174.92 2ysm s VAL 71 N 6.77 4.28 1.00 -1.59 1.01 -1.26 -2.89 120.40 127.72 2ysm s VAL 71 Ca 0.51 0.64 -0.16 0.00 0.00 0.00 0.00 61.98 62.98 2ysm s VAL 71 Cb -0.11 -4.58 -0.00 0.00 0.00 0.00 0.00 36.38 31.70 2ysm s VAL 71 CO 0.21 -1.11 -0.03 0.00 0.00 0.00 0.00 175.10 174.17 2ysm n ASP 73 N -0.17 1.85 0.00 0.00 8.00 -1.26 -3.80 116.55 121.17 2ysm n ASP 73 Ca 0.03 -0.04 0.00 0.00 0.71 0.00 0.00 54.79 55.49 2ysm n ASP 73 Cb 0.57 0.37 0.00 0.00 -0.02 0.00 0.00 41.12 42.04 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 -2.77 0.00 0.12 -3.53 -1.04 -1.26 -4.42 114.28 101.38 2ysm n THR 74 Ca -0.28 0.51 0.00 0.00 -2.04 0.00 0.00 64.05 62.24 2ysm n THR 74 Cb 0.93 -1.28 -0.01 0.00 -1.82 0.00 0.00 70.33 68.15 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 -3.23 -3.38 -4.43 0.00 2.03 -1.25 -4.61 116.55 101.68 2ysm n ASP 76 Ca 0.01 -0.43 -0.37 0.00 0.52 0.00 0.00 54.79 54.52 2ysm n ASP 76 Cb 0.79 -3.53 -0.13 0.00 -0.72 0.00 0.00 41.12 37.53 2ysm n ASP 76 CO 0.00 0.00 0.00 -0.54 -1.92 0.00 0.00 177.20 174.74 2ysm s LYS 77 N -4.44 3.56 0.16 -0.67 1.02 -1.26 -4.75 119.74 113.36 2ysm s LYS 77 Ca 0.13 -0.54 -0.32 0.00 0.02 0.00 0.00 55.97 55.27 2ysm s LYS 77 Cb -0.02 -3.33 -0.10 0.00 -0.52 0.00 0.00 37.83 33.86 2ysm s LYS 77 CO 0.48 -0.23 1.64 0.20 -0.92 0.00 0.00 175.35 176.51 2ysm s GLY 78 N 1.60 1.45 -0.18 -3.33 0.00 -1.26 -3.47 107.32 102.13 2ysm s GLY 78 Ca 0.06 1.41 -0.04 0.00 0.00 0.00 0.00 44.72 46.15 2ysm s GLY 78 CO 0.03 2.77 0.27 -0.19 0.00 0.00 0.00 173.10 175.97 2ysm s TYR 79 N 1.46 -0.43 0.33 1.90 2.02 -1.14 -3.79 117.35 117.69 2ysm s TYR 79 Ca 0.73 0.65 -0.29 0.00 -0.37 0.00 0.00 57.07 57.78 2ysm s TYR 79 Cb -0.45 -0.16 -0.11 0.00 -0.40 0.00 0.00 41.96 40.84 2ysm s TYR 79 CO 0.32 -0.52 1.48 -1.01 -1.57 0.00 0.00 175.55 174.25 2ysm s HIS 80 N 2.40 2.78 0.37 2.71 3.76 -1.26 -0.53 115.29 125.52 2ysm s HIS 80 Ca 0.05 1.09 0.14 0.00 -0.15 0.00 0.00 55.06 56.19 2ysm s HIS 80 Cb -0.14 -3.94 0.98 0.00 1.11 0.00 0.00 32.58 30.59 2ysm s HIS 80 CO -0.11 -2.90 1.79 1.79 -0.85 0.00 0.00 174.74 174.47 2ysm h THR 81 N 3.18 0.62 0.00 1.30 1.35 -1.26 0.37 112.91 118.47 2ysm h THR 81 Ca -0.49 -0.18 -0.15 0.00 -0.55 0.00 0.00 66.41 65.05 2ysm h THR 81 Cb 1.23 0.06 -0.02 0.00 -1.73 0.00 0.00 68.15 67.69 2ysm h THR 81 CO 0.70 0.09 -0.71 2.19 -0.25 0.00 0.00 175.52 177.55 2ysm h PHE 82 N 0.52 0.00 -0.14 4.73 -0.00 -1.81 -0.05 116.94 120.19 2ysm h PHE 82 Ca 0.56 0.00 0.00 0.00 -0.00 0.00 0.00 57.97 58.53 2ysm h PHE 82 Cb 1.22 0.00 0.00 0.00 -0.00 0.00 0.00 35.95 37.17 2ysm h PHE 82 CO -0.00 0.71 0.00 0.00 -0.00 0.00 0.00 178.31 179.01 2ysm s LEU 84 N -0.69 4.22 -0.30 0.00 1.43 -1.00 -4.76 118.68 117.58 2ysm s LEU 84 Ca 0.13 0.20 0.00 0.00 -1.03 0.00 0.00 54.13 53.43 2ysm s LEU 84 Cb 0.10 -2.84 0.09 0.00 0.03 0.00 0.00 46.19 43.57 2ysm s LEU 84 CO 0.04 0.17 0.07 -1.58 0.23 0.00 0.00 176.35 175.28 2ysm s GLN 85 N -2.50 0.97 1.24 1.70 2.00 -1.26 -1.22 119.66 120.59 2ysm s GLN 85 Ca 0.34 -1.19 -0.21 0.00 -2.00 0.00 0.00 55.36 52.30 2ysm s GLN 85 Cb -0.13 -2.32 0.31 0.00 0.80 0.00 0.00 33.01 31.67 2ysm s GLN 85 CO 0.26 -0.91 1.11 -1.25 -0.50 0.00 0.00 175.29 174.01 2ysm s PRO 86 N 1.46 -1.56 0.26 1.67 0.04 -1.26 -5.09 135.00 130.51 2ysm s PRO 86 Ca 0.08 -0.19 -0.18 0.00 0.04 0.00 0.00 61.00 60.74 2ysm s PRO 86 Cb -0.18 -1.57 -0.08 0.00 0.04 0.00 0.00 34.50 32.71 2ysm s PRO 86 CO -0.18 -3.91 0.73 0.08 0.04 0.00 0.00 177.00 173.75 2ysm s VAL 87 N -3.02 4.61 -0.12 -0.36 1.01 -0.36 -5.00 120.40 117.16 2ysm s VAL 87 Ca 0.72 1.16 -0.16 0.00 0.00 0.00 0.00 61.98 63.70 2ysm s VAL 87 Cb -0.08 -3.77 -0.04 0.00 0.00 0.00 0.00 36.38 32.49 2ysm s VAL 87 CO 0.56 0.07 0.41 -0.04 0.00 0.00 0.00 175.10 176.10 2ysm s MET 88 N -2.33 4.27 0.05 2.72 -1.94 -0.04 -4.98 119.30 117.04 2ysm s MET 88 Ca 0.47 0.33 -0.16 0.00 -1.71 0.00 0.00 55.69 54.63 2ysm s MET 88 Cb -0.14 -3.41 -0.27 0.00 2.01 0.00 0.00 34.83 33.02 2ysm s MET 88 CO 0.20 0.24 1.12 0.87 -0.01 0.00 0.00 175.02 177.44 2ysm h LYS 89 N 6.48 0.61 -4.67 2.03 1.79 -1.97 -3.41 116.57 117.43 2ysm h LYS 89 Ca -0.42 -0.74 -0.27 0.00 -2.18 0.00 0.00 60.65 57.03 2ysm h LYS 89 Cb 1.18 0.23 -0.15 0.00 -1.58 0.00 0.00 32.23 31.91 2ysm h LYS 89 CO 0.74 1.32 -0.61 -1.54 -1.08 0.00 0.00 179.45 178.28 2ysm s SER 90 N -7.27 0.44 -0.35 0.86 1.04 -1.26 -5.11 113.70 102.05 2ysm s SER 90 Ca -0.10 -1.40 -0.16 0.00 0.48 0.00 0.00 55.95 54.77 2ysm s SER 90 Cb 0.05 0.34 -0.01 0.00 0.10 0.00 0.00 66.02 66.51 2ysm s SER 90 CO 0.91 -0.82 0.40 -0.69 0.98 0.00 0.00 173.24 174.02 2ysm s VAL 91 N -4.04 5.13 0.58 5.02 1.01 -1.26 -5.07 120.40 121.78 2ysm s VAL 91 Ca 0.39 0.06 -0.18 0.00 0.00 0.00 0.00 61.98 62.25 2ysm s VAL 91 Cb 0.07 -3.87 -0.04 0.00 0.00 0.00 0.00 36.38 32.54 2ysm s VAL 91 CO 0.13 -0.15 1.12 -2.16 0.00 0.00 0.00 175.10 174.04 2ysm s PRO 92 N 2.10 3.16 -0.28 2.72 0.04 -1.26 -4.99 135.00 136.49 2ysm s PRO 92 Ca 0.13 1.53 0.08 0.00 0.04 0.00 0.00 61.00 62.78 2ysm s PRO 92 Cb -0.16 -1.99 0.46 0.00 0.04 0.00 0.00 34.50 32.85 2ysm s PRO 92 CO 0.12 -0.99 1.19 0.25 0.04 0.00 0.00 177.00 177.61 2ysm n THR 93 N -1.70 2.45 -2.28 1.26 -2.24 -1.26 -4.67 114.28 105.83 2ysm n THR 93 Ca 0.11 -4.09 0.03 0.00 -2.27 0.00 0.00 64.05 57.83 2ysm n THR 93 Cb 0.51 -0.97 0.07 0.00 -2.10 0.00 0.00 70.33 67.85 2ysm n THR 93 CO 0.00 0.00 0.00 -3.20 -0.57 0.00 0.00 175.07 171.30 2ysm n ASN 94 N -0.73 1.43 -0.67 3.42 5.15 -1.26 -5.07 115.26 117.54 2ysm n ASN 94 Ca 0.41 -2.58 0.00 0.00 -0.60 0.00 0.00 54.58 51.81 2ysm n ASN 94 Cb 0.95 -0.38 0.00 0.00 -0.53 0.00 0.00 39.78 39.81 2ysm n ASN 94 CO 0.00 0.00 0.00 0.61 1.40 0.00 0.00 177.26 179.27 2ysm n GLY 95 N -0.09 -1.78 3.93 8.20 0.00 -1.26 -5.07 105.19 109.12 2ysm n GLY 95 Ca 0.11 -0.73 -0.27 0.00 0.00 0.00 0.00 46.02 45.14 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 3.48 -0.16 1.61 -0.00 -1.26 -5.09 118.94 117.52 2ysm s TRP 96 Ca 0.00 0.29 -0.05 0.00 -0.00 0.00 0.00 56.10 56.34 2ysm s TRP 96 Cb 0.00 -1.81 0.08 0.00 -0.00 0.00 0.00 33.47 31.74 2ysm s TRP 96 CO 0.00 0.40 0.30 0.21 -0.00 0.00 0.00 176.95 177.86 2ysm s LYS 97 N -3.35 0.21 1.01 5.86 2.20 -1.26 -4.17 119.74 120.24 2ysm s LYS 97 Ca 0.38 0.70 -0.12 0.00 -0.36 0.00 0.00 55.97 56.56 2ysm s LYS 97 Cb -0.11 -0.19 0.19 0.00 -1.51 0.00 0.00 37.83 36.22 2ysm s LYS 97 CO 0.29 -0.37 1.09 0.00 -0.36 0.00 0.00 175.35 176.00 2ysm h LYS 99 N -1.94 -0.59 -1.05 0.00 3.11 -1.98 0.44 116.57 114.57 2ysm h LYS 99 Ca -0.55 0.04 0.30 0.00 -2.81 0.00 0.00 60.65 57.64 2ysm h LYS 99 Cb 1.33 0.13 -0.04 0.00 -1.00 0.00 0.00 32.23 32.65 2ysm h LYS 99 CO 0.57 -0.39 1.16 -1.71 -2.81 0.00 0.00 179.45 176.27 2ysm n ASN 100 N -3.71 0.00 -0.06 4.20 5.15 -1.26 0.20 115.26 119.78 2ysm n ASN 100 Ca -0.08 0.73 -0.19 0.00 -0.60 0.00 0.00 54.58 54.44 2ysm n ASN 100 Cb 0.24 -0.26 -0.13 0.00 -0.53 0.00 0.00 39.78 39.10 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 0.04 0.28 -4.61 0.00 0.11 0.69 -3.42 114.38 107.47 2ysm h ARG 102 Ca -0.49 -0.02 -0.67 0.00 0.10 0.00 0.00 59.98 58.90 2ysm h ARG 102 Cb 1.98 -0.06 0.01 0.00 1.11 0.00 0.00 29.97 33.00 2ysm h ARG 102 CO 0.01 0.18 0.56 -0.89 0.10 0.00 0.00 179.97 179.94 2ysm n ILE 103 N -4.82 0.00 -3.11 0.08 -0.00 -1.03 -4.88 119.36 105.60 2ysm n ILE 103 Ca 0.31 0.00 -0.34 0.00 -0.00 0.00 0.00 62.75 62.72 2ysm n ILE 103 Cb 1.07 -0.38 -0.06 0.00 -0.00 0.00 0.00 39.64 40.27 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 0.11 0.63 -3.76 0.00 3.06 -1.26 -1.84 119.36 116.29 2ysm n ILE 105 Ca 0.01 -0.16 -0.25 0.00 -2.50 0.00 0.00 62.75 59.85 2ysm n ILE 105 Cb 0.52 -1.53 0.04 0.00 0.54 0.00 0.00 39.64 39.21 2ysm n ILE 105 CO 0.00 0.00 0.00 -1.20 -2.50 0.00 0.00 176.55 172.85 2ysm n SER 106 N 2.59 -3.11 -4.84 9.51 7.64 -1.26 -4.95 113.62 119.20 2ysm n SER 106 Ca 0.13 -0.77 -0.32 0.00 1.01 0.00 0.00 58.87 58.92 2ysm n SER 106 Cb 0.31 -4.13 -0.06 0.00 -1.01 0.00 0.00 64.21 59.33 2ysm n SER 106 CO 0.00 0.00 0.00 -0.83 -3.01 0.00 0.00 175.04 171.20 2ysm s GLY 107 N -3.86 2.25 0.18 0.23 0.00 -0.77 -4.99 107.32 100.37 2ysm s GLY 107 Ca 0.32 0.15 -0.06 0.00 0.00 0.00 0.00 44.72 45.12 2ysm s GLY 107 CO 0.81 0.39 1.53 -0.56 0.00 0.00 0.00 173.10 175.26 2ysm h PRO 108 N 1.78 0.76 -3.75 2.90 0.13 -1.92 -3.37 132.00 128.53 2ysm h PRO 108 Ca -0.48 -0.40 -0.79 0.00 -0.87 0.00 0.00 66.00 63.46 2ysm h PRO 108 Cb 1.18 0.01 -0.27 0.00 0.13 0.00 0.00 31.00 32.06 2ysm h PRO 108 CO 0.63 1.02 0.33 0.45 -0.23 0.00 0.00 178.00 180.20 2ysm s SER 109 N -6.85 7.05 0.21 1.44 0.15 -1.26 -5.01 113.70 109.43 2ysm s SER 109 Ca -0.09 -3.14 0.04 0.00 0.70 0.00 0.00 55.95 53.45 2ysm s SER 109 Cb 0.12 -2.22 -0.05 0.00 -1.71 0.00 0.00 66.02 62.16 2ysm s SER 109 CO 0.86 -0.44 -0.04 -0.55 1.20 0.00 0.00 173.24 174.26 2ysm s SER 110 N 1.79 1.87 0.00 5.45 0.15 -1.26 -4.99 113.70 116.71 2ysm s SER 110 Ca 0.25 -1.16 0.08 0.00 0.70 0.00 0.00 55.95 55.82 2ysm s SER 110 Cb -0.10 -0.00 0.06 0.00 -1.71 0.00 0.00 66.02 64.27 2ysm s SER 110 CO -0.08 -0.45 0.74 0.61 1.20 0.00 0.00 173.24 175.26