#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 2.76 -3.65 1.61 7.64 -1.26 -4.90 113.62 115.82 2ysm n SER 2 Ca 0.00 0.09 -0.10 0.00 1.01 0.00 0.00 58.87 59.86 2ysm n SER 2 Cb 0.00 -1.49 -0.05 0.00 -1.01 0.00 0.00 64.21 61.67 2ysm n SER 2 CO 0.00 0.00 0.00 -0.44 -3.01 0.00 0.00 175.04 171.59 2ysm s SER 3 N 9.00 -0.23 0.07 6.43 0.01 -1.26 -5.10 113.70 122.62 2ysm s SER 3 Ca 1.03 -0.34 0.00 0.00 1.31 0.00 0.00 55.95 57.95 2ysm s SER 3 Cb -0.43 0.48 0.00 0.00 0.21 0.00 0.00 66.02 66.28 2ysm s SER 3 CO 0.36 -0.87 0.00 0.61 0.41 0.00 0.00 173.24 173.75 2ysm n GLY 4 N -0.23 -0.04 4.33 3.44 0.00 -1.26 -5.01 105.19 106.42 2ysm n GLY 4 Ca -0.15 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 45.49 2ysm n GLY 4 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 2ysm n SER 5 N -3.28 -2.16 -2.42 1.61 3.41 -1.26 -4.82 113.62 104.71 2ysm n SER 5 Ca 0.00 -1.12 -0.35 0.00 -0.26 0.00 0.00 58.87 57.14 2ysm n SER 5 Cb 0.19 -2.25 0.07 0.00 -0.26 0.00 0.00 64.21 61.95 2ysm n SER 5 CO 0.00 0.00 0.00 -1.20 -0.16 0.00 0.00 175.04 173.68 2ysm n SER 6 N -2.63 7.43 0.00 4.04 7.64 -1.26 -5.01 113.62 123.83 2ysm n SER 6 Ca 0.03 -3.79 0.00 0.00 1.01 0.00 0.00 58.87 56.11 2ysm n SER 6 Cb 0.51 -0.94 0.00 0.00 -1.01 0.00 0.00 64.21 62.77 2ysm n SER 6 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 2ysm n GLY 7 N -0.83 0.33 2.36 0.23 0.00 -1.26 -5.00 105.19 101.02 2ysm n GLY 7 Ca 0.60 -1.64 -0.16 0.00 0.00 0.00 0.00 46.02 44.81 2ysm n GLY 7 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2ysm n ALA 8 N -0.28 -0.42 -1.97 4.61 0.00 -1.26 -5.00 120.51 116.19 2ysm n ALA 8 Ca 0.00 0.17 -0.22 0.00 0.00 0.00 0.00 53.44 53.38 2ysm n ALA 8 Cb 0.00 -1.81 0.06 0.00 0.00 0.00 0.00 19.45 17.71 2ysm n ALA 8 CO 0.00 0.00 0.00 -0.80 0.00 0.00 0.00 177.50 176.70 2ysm s ASN 9 N -2.41 4.92 0.17 0.00 0.01 -1.26 -4.57 114.94 111.79 2ysm s ASN 9 Ca 0.00 -0.07 -0.31 0.00 -0.71 0.00 0.00 52.86 51.77 2ysm s ASN 9 Cb 0.00 -0.63 -0.10 0.00 0.41 0.00 0.00 41.25 40.94 2ysm s ASN 9 CO 0.00 -1.43 1.55 0.00 -1.51 0.00 0.00 177.10 175.71 2ysm n ALA 11 N 3.88 2.53 -0.05 0.00 0.00 -1.17 -0.57 120.51 125.13 2ysm n ALA 11 Ca 0.13 -0.38 -0.08 0.00 0.00 0.00 0.00 53.44 53.12 2ysm n ALA 11 Cb 0.39 -1.11 -0.04 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 -0.02 0.55 -0.04 0.00 0.31 -1.26 -4.81 118.33 113.06 2ysm n VAL 12 Ca 0.13 -0.19 -0.03 0.00 -0.01 0.00 0.00 64.34 64.24 2ysm n VAL 12 Cb 0.22 -1.04 -0.08 0.00 -0.91 0.00 0.00 33.84 32.03 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 -2.26 -2.12 -3.84 0.00 -0.08 0.27 -5.00 116.55 103.52 2ysm n ASP 14 Ca -0.13 -0.27 -0.12 0.00 -1.51 0.00 0.00 54.79 52.75 2ysm n ASP 14 Cb 0.71 -2.52 -0.14 0.00 2.34 0.00 0.00 41.12 41.51 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 -3.57 -0.05 -0.02 1.67 0.01 -1.26 -4.84 113.70 105.64 2ysm s SER 15 Ca 0.01 0.11 -0.26 0.00 1.31 0.00 0.00 55.95 57.12 2ysm s SER 15 Cb -0.00 0.10 -0.20 0.00 0.21 0.00 0.00 66.02 66.12 2ysm s SER 15 CO 0.32 -0.03 1.26 1.55 0.41 0.00 0.00 173.24 176.75 2ysm h PRO 16 N 6.22 -0.00 0.00 12.44 0.13 -1.96 -3.28 132.00 145.54 2ysm h PRO 16 Ca -0.27 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.86 2ysm h PRO 16 Cb 1.20 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.33 2ysm h PRO 16 CO 0.47 0.48 0.00 0.41 -0.23 0.00 0.00 178.00 179.14 2ysm n GLY 17 N 0.23 1.91 3.79 1.56 0.00 -1.26 -4.20 105.19 107.21 2ysm n GLY 17 Ca -0.08 0.17 -0.37 0.00 0.00 0.00 0.00 46.02 45.73 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 -3.34 6.57 -0.14 1.61 1.11 -1.26 -5.00 116.67 116.22 2ysm s ASP 18 Ca 0.00 0.67 -0.19 0.00 0.18 0.00 0.00 52.55 53.22 2ysm s ASP 18 Cb 0.00 -2.19 -0.25 0.00 1.07 0.00 0.00 42.92 41.55 2ysm s ASP 18 CO 0.00 0.22 0.48 -0.07 1.18 0.00 0.00 175.17 176.98 2ysm h LEU 19 N 5.74 0.23 -1.01 1.23 -0.00 -1.90 -3.31 115.31 116.29 2ysm h LEU 19 Ca -0.47 -0.78 -0.03 0.00 -0.00 0.00 0.00 57.88 56.59 2ysm h LEU 19 Cb 1.19 -0.08 -0.03 0.00 -0.00 0.00 0.00 40.66 41.75 2ysm h LEU 19 CO 0.68 1.52 0.29 -0.07 -0.00 0.00 0.00 178.44 180.85 2ysm h LEU 20 N -0.56 0.91 -0.21 1.67 4.07 -1.96 -2.87 115.31 116.36 2ysm h LEU 20 Ca -0.28 -0.12 0.03 0.00 0.08 0.00 0.00 57.88 57.59 2ysm h LEU 20 Cb 1.56 -0.23 -0.03 0.00 1.08 0.00 0.00 40.66 43.03 2ysm h LEU 20 CO -0.02 0.80 0.01 0.44 -1.08 0.00 0.00 178.44 178.59 2ysm h ASP 21 N 0.98 -0.06 -3.72 -0.43 5.19 -1.99 -3.42 116.42 112.97 2ysm h ASP 21 Ca 0.23 0.04 -0.49 0.00 -0.62 0.00 0.00 57.03 56.19 2ysm h ASP 21 Cb 0.17 0.07 -0.02 0.00 0.18 0.00 0.00 39.33 39.73 2ysm h ASP 21 CO -0.02 -0.00 0.09 0.00 -3.12 0.00 0.00 179.24 176.19 2ysm s GLN 22 N -6.19 3.97 0.75 3.56 -2.07 -1.08 -4.36 119.66 114.24 2ysm s GLN 22 Ca -0.13 0.64 -0.11 0.00 -1.82 0.00 0.00 55.36 53.94 2ysm s GLN 22 Cb 0.10 -2.43 0.06 0.00 -1.09 0.00 0.00 33.01 29.65 2ysm s GLN 22 CO 0.69 0.14 1.11 -0.06 -1.32 0.00 0.00 175.29 175.85 2ysm s PHE 23 N -2.02 3.06 -0.17 9.60 0.40 -0.80 -4.85 117.98 123.19 2ysm s PHE 23 Ca 0.54 0.77 -0.03 0.00 -0.60 0.00 0.00 56.93 57.60 2ysm s PHE 23 Cb -0.10 -3.29 0.06 0.00 0.51 0.00 0.00 43.02 40.19 2ysm s PHE 23 CO 0.19 -1.51 0.05 0.12 0.70 0.00 0.00 175.22 174.77 2ysm s PHE 24 N -3.43 0.70 0.82 0.36 5.36 -1.26 -3.23 117.98 117.29 2ysm s PHE 24 Ca 0.60 -0.59 -0.12 0.00 -0.96 0.00 0.00 56.93 55.86 2ysm s PHE 24 Cb -0.11 -0.88 0.09 0.00 -0.34 0.00 0.00 43.02 41.78 2ysm s PHE 24 CO 0.49 -0.54 1.17 0.00 -1.46 0.00 0.00 175.22 174.88 2ysm n THR 26 N -3.51 1.18 0.25 0.00 -2.24 -1.26 -3.40 114.28 105.30 2ysm n THR 26 Ca 0.12 -0.51 -0.10 0.00 -2.27 0.00 0.00 64.05 61.29 2ysm n THR 26 Cb 0.51 -1.10 -0.05 0.00 -2.10 0.00 0.00 70.33 67.60 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 0.13 4.28 2.02 -1.93 -3.38 112.91 114.03 2ysm h THR 27 Ca -0.46 -0.23 -0.33 0.00 0.77 0.00 0.00 66.41 66.17 2ysm h THR 27 Cb 1.79 0.00 -0.01 0.00 -1.74 0.00 0.00 68.15 68.19 2ysm h THR 27 CO -0.05 0.00 -1.71 0.00 0.37 0.00 0.00 175.52 174.13 2ysm n GLY 29 N 1.84 1.04 3.96 0.00 0.00 -1.22 -5.04 105.19 105.77 2ysm n GLY 29 Ca -0.28 -0.35 -0.23 0.00 0.00 0.00 0.00 46.02 45.17 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 -2.38 2.99 0.09 1.61 -1.52 -1.26 -4.75 119.66 114.43 2ysm s GLN 30 Ca 0.00 -0.55 0.10 0.00 -1.95 0.00 0.00 55.36 52.96 2ysm s GLN 30 Cb 0.00 -2.56 -0.03 0.00 -0.22 0.00 0.00 33.01 30.20 2ysm s GLN 30 CO 0.00 -0.33 -0.26 -1.01 -0.25 0.00 0.00 175.29 173.45 2ysm s HIS 31 N -2.57 2.34 -0.25 0.91 3.76 -1.26 -1.90 115.29 116.32 2ysm s HIS 31 Ca 0.50 -0.38 -0.12 0.00 -0.15 0.00 0.00 55.06 54.90 2ysm s HIS 31 Cb -0.10 -1.33 0.08 0.00 1.11 0.00 0.00 32.58 32.34 2ysm s HIS 31 CO 0.38 0.24 0.58 0.71 -0.85 0.00 0.00 174.74 175.80 2ysm s TYR 32 N -0.94 -0.96 0.50 1.40 2.02 -1.20 -3.06 117.35 115.10 2ysm s TYR 32 Ca 0.13 1.88 -0.19 0.00 -0.37 0.00 0.00 57.07 58.52 2ysm s TYR 32 Cb -0.10 0.53 -0.08 0.00 -0.40 0.00 0.00 41.96 41.91 2ysm s TYR 32 CO 0.04 -0.50 1.02 -1.01 -1.57 0.00 0.00 175.55 173.54 2ysm s HIS 33 N 1.87 3.07 0.50 2.71 3.76 -1.26 -1.90 115.29 124.04 2ysm s HIS 33 Ca -0.08 1.56 0.16 0.00 -0.15 0.00 0.00 55.06 56.55 2ysm s HIS 33 Cb -0.08 -3.01 1.19 0.00 1.11 0.00 0.00 32.58 31.80 2ysm s HIS 33 CO -0.17 -0.74 2.10 0.78 -0.85 0.00 0.00 174.74 175.86 2ysm h GLY 34 N 1.38 0.00 1.31 -2.22 0.00 -1.84 -1.33 103.07 100.38 2ysm h GLY 34 Ca -0.49 0.00 -0.29 0.00 0.00 0.00 0.00 47.33 46.55 2ysm h GLY 34 CO 0.59 0.00 -1.48 0.00 0.00 0.00 0.00 176.54 175.65 2ysm h MET 35 N 0.00 0.19 -0.49 4.80 -0.00 -1.92 0.29 114.93 117.80 2ysm h MET 35 Ca -0.00 -0.32 -0.10 0.00 -0.00 0.00 0.00 59.70 59.28 2ysm h MET 35 Cb 0.10 0.12 -0.02 0.00 -0.00 0.00 0.00 31.60 31.80 2ysm h MET 35 CO 0.01 1.03 -0.08 0.00 -0.00 0.00 0.00 176.91 177.86 2ysm n LEU 37 N -4.16 0.33 -1.45 0.00 4.77 -0.55 -4.98 117.00 110.95 2ysm n LEU 37 Ca 0.02 0.05 -0.06 0.00 -0.03 0.00 0.00 56.01 55.99 2ysm n LEU 37 Cb 0.37 -0.02 0.02 0.00 -2.33 0.00 0.00 43.42 41.45 2ysm n LEU 37 CO 0.44 -0.03 0.05 -0.67 -1.33 0.00 0.00 177.39 175.85 2ysm n ASP 38 N -2.29 -2.77 -4.60 -1.43 2.03 0.30 -5.05 116.55 102.74 2ysm n ASP 38 Ca -0.02 -0.15 -0.31 0.00 0.52 0.00 0.00 54.79 54.83 2ysm n ASP 38 Cb 0.54 -1.74 -0.10 0.00 -0.72 0.00 0.00 41.12 39.10 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 -3.09 3.61 -0.24 5.18 1.01 0.76 -5.00 121.20 123.43 2ysm s ILE 39 Ca 0.10 -0.95 -0.27 0.00 0.00 0.00 0.00 60.65 59.53 2ysm s ILE 39 Cb -0.05 -2.62 0.00 0.00 0.01 0.00 0.00 42.46 39.80 2ysm s ILE 39 CO 0.20 0.27 0.94 0.00 0.00 0.00 0.00 174.94 176.35 2ysm s ALA 40 N -1.10 3.67 -0.10 9.38 0.00 -1.26 -4.65 121.76 127.69 2ysm s ALA 40 Ca 0.20 0.02 -0.29 0.00 0.00 0.00 0.00 51.96 51.88 2ysm s ALA 40 Cb -0.11 -3.42 -0.04 0.00 0.00 0.00 0.00 23.12 19.55 2ysm s ALA 40 CO 0.11 -0.99 1.56 0.08 0.00 0.00 0.00 175.76 176.51 2ysm s VAL 41 N 3.03 3.76 0.07 0.00 1.01 -1.26 -4.99 120.40 122.01 2ysm s VAL 41 Ca 0.39 0.91 0.03 0.00 0.00 0.00 0.00 61.98 63.32 2ysm s VAL 41 Cb -0.15 -3.61 -0.03 0.00 0.00 0.00 0.00 36.38 32.59 2ysm s VAL 41 CO 0.07 -0.11 -0.10 0.42 0.00 0.00 0.00 175.10 175.38 2ysm s THR 42 N 4.06 0.80 -1.84 3.92 -4.23 -1.26 -5.02 115.64 112.07 2ysm s THR 42 Ca 0.69 -1.39 0.15 0.00 -1.18 0.00 0.00 61.69 59.97 2ysm s THR 42 Cb -0.30 -1.04 0.39 0.00 1.34 0.00 0.00 72.50 72.89 2ysm s THR 42 CO 0.26 -0.45 1.36 -0.81 -0.54 0.00 0.00 174.62 174.44 2ysm n PRO 43 N 0.99 0.41 -0.12 3.99 -0.04 -1.26 -2.69 135.00 136.29 2ysm n PRO 43 Ca -0.19 0.04 -0.21 0.00 -0.04 0.00 0.00 63.50 63.10 2ysm n PRO 43 Cb 0.56 -1.50 -0.07 0.00 -0.04 0.00 0.00 33.50 32.45 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 -1.08 1.94 0.15 1.53 -0.00 -1.26 -4.52 117.00 113.75 2ysm n LEU 44 Ca 0.10 0.36 -0.13 0.00 -0.00 0.00 0.00 56.01 56.34 2ysm n LEU 44 Cb 0.07 -0.81 -0.07 0.00 -0.00 0.00 0.00 43.42 42.61 2ysm n LEU 44 CO 0.10 0.21 0.76 0.11 -0.00 0.00 0.00 177.39 178.56 2ysm h LYS 45 N -1.00 -0.36 -0.68 1.96 1.57 -1.69 -2.60 116.57 113.76 2ysm h LYS 45 Ca -0.40 0.02 0.25 0.00 -1.87 0.00 0.00 60.65 58.65 2ysm h LYS 45 Cb 1.32 0.08 -0.12 0.00 0.08 0.00 0.00 32.23 33.59 2ysm h LYS 45 CO -0.24 -0.24 0.23 0.54 -0.57 0.00 0.00 179.45 179.16 2ysm n ARG 46 N -5.29 -0.05 -1.88 3.15 1.74 -1.10 -2.87 116.66 110.38 2ysm n ARG 46 Ca -0.08 0.97 -0.42 0.00 -0.77 0.00 0.00 57.85 57.54 2ysm n ARG 46 Cb 0.20 -1.66 -0.03 0.00 -1.02 0.00 0.00 32.46 29.95 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 -5.25 3.41 -1.52 7.54 0.00 -0.98 -3.17 121.76 121.79 2ysm s ALA 47 Ca -0.07 0.92 -0.00 0.00 0.00 0.00 0.00 51.96 52.81 2ysm s ALA 47 Cb 0.22 -3.85 0.00 0.00 0.00 0.00 0.00 23.12 19.49 2ysm s ALA 47 CO 0.53 -1.77 0.08 0.41 0.00 0.00 0.00 175.76 175.02 2ysm n GLY 48 N 4.60 -0.15 3.70 0.00 0.00 -1.26 -4.83 105.19 107.25 2ysm n GLY 48 Ca 0.20 0.18 -0.42 0.00 0.00 0.00 0.00 46.02 45.98 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 -4.30 3.02 -0.20 1.61 -0.00 -1.14 -4.93 118.94 113.00 2ysm s TRP 49 Ca 0.01 0.90 -0.07 0.00 -0.00 0.00 0.00 56.10 56.93 2ysm s TRP 49 Cb -0.00 -3.65 -0.04 0.00 -0.00 0.00 0.00 33.47 29.78 2ysm s TRP 49 CO 0.98 -2.34 0.05 -1.14 -0.00 0.00 0.00 176.95 174.51 2ysm s GLN 50 N 1.89 3.84 0.89 5.86 0.74 -1.26 -3.63 119.66 127.98 2ysm s GLN 50 Ca 0.64 -0.41 -0.12 0.00 0.05 0.00 0.00 55.36 55.52 2ysm s GLN 50 Cb -0.33 -3.21 0.11 0.00 1.10 0.00 0.00 33.01 30.67 2ysm s GLN 50 CO 0.28 0.12 1.03 0.00 -0.55 0.00 0.00 175.29 176.18 2ysm n PRO 52 N -3.47 0.34 0.00 0.00 -0.04 -1.26 -0.56 135.00 130.02 2ysm n PRO 52 Ca 0.12 0.08 0.11 0.00 -0.04 0.00 0.00 63.50 63.76 2ysm n PRO 52 Cb 0.52 -1.50 -0.05 0.00 -0.04 0.00 0.00 33.50 32.43 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 -1.15 0.07 0.00 0.54 1.02 -1.26 -4.55 120.64 115.31 2ysm n GLU 53 Ca 0.09 -0.01 0.00 0.00 -0.02 0.00 0.00 57.16 57.22 2ysm n GLU 53 Cb 0.09 -1.51 0.00 0.00 -0.02 0.00 0.00 31.44 30.00 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 -2.60 0.00 -4.20 0.00 2.85 0.28 -4.96 118.16 109.53 2ysm n LYS 55 Ca 0.00 0.00 -0.13 0.00 -1.05 0.00 0.00 58.31 57.13 2ysm n LYS 55 Cb 0.49 -0.88 -0.09 0.00 -0.65 0.00 0.00 35.03 33.89 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 -0.40 0.00 -0.36 0.58 -7.23 -1.26 -4.95 120.40 106.78 2ysm s VAL 56 Ca 0.55 -1.96 -0.28 0.00 -1.81 0.00 0.00 61.98 58.47 2ysm s VAL 56 Cb -0.78 -2.49 -0.02 0.00 0.56 0.00 0.00 36.38 33.65 2ysm s VAL 56 CO 0.41 0.00 1.86 0.00 -0.31 0.00 0.00 175.10 177.06 2ysm h GLN 58 N 13.51 0.00 0.37 0.00 1.08 -1.79 1.14 115.11 129.42 2ysm h GLN 58 Ca -0.33 0.00 -0.02 0.00 -1.45 0.00 0.00 58.65 56.85 2ysm h GLN 58 Cb 1.18 0.00 0.00 0.00 -0.05 0.00 0.00 27.48 28.61 2ysm h GLN 58 CO 1.05 0.02 -0.18 -0.97 -0.95 0.00 0.00 178.83 177.81 2ysm h ASN 59 N 0.00 -0.42 -0.46 1.46 -0.73 -1.88 -3.31 115.58 110.24 2ysm h ASN 59 Ca -0.00 -0.14 0.00 0.00 1.87 0.00 0.00 56.30 58.03 2ysm h ASN 59 Cb 0.33 0.11 0.00 0.00 0.27 0.00 0.00 38.32 39.03 2ysm h ASN 59 CO 0.00 0.00 0.00 0.00 -0.37 0.00 0.00 177.43 177.07 2ysm n LYS 61 N 0.46 -0.89 -3.93 0.00 4.76 0.39 -4.90 118.16 114.06 2ysm n LYS 61 Ca 0.22 0.10 -0.09 0.00 -2.87 0.00 0.00 58.31 55.67 2ysm n LYS 61 Cb 0.82 -3.79 -0.07 0.00 -1.84 0.00 0.00 35.03 30.15 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 -7.27 1.00 -0.06 1.97 -1.52 -0.91 -4.91 119.66 107.96 2ysm s GLN 62 Ca 0.20 -1.09 0.02 0.00 -1.95 0.00 0.00 55.36 52.54 2ysm s GLN 62 Cb -0.12 0.35 0.01 0.00 -0.22 0.00 0.00 33.01 33.04 2ysm s GLN 62 CO 0.99 -0.34 -0.11 -1.54 -0.25 0.00 0.00 175.29 174.04 2ysm s SER 63 N -2.92 1.64 0.00 5.90 1.04 -1.26 -0.07 113.70 118.02 2ysm s SER 63 Ca 0.12 -0.27 0.00 0.00 0.48 0.00 0.00 55.95 56.28 2ysm s SER 63 Cb 0.04 -0.71 0.00 0.00 0.10 0.00 0.00 66.02 65.45 2ysm s SER 63 CO -0.05 0.04 0.00 0.61 0.98 0.00 0.00 173.24 174.82 2ysm n GLY 64 N 3.73 2.28 3.22 7.32 0.00 -1.26 -5.05 105.19 115.44 2ysm n GLY 64 Ca -0.22 0.18 -0.49 0.00 0.00 0.00 0.00 46.02 45.49 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 0.00 -0.10 1.61 -0.58 -1.26 -4.78 120.64 115.54 2ysm n GLU 65 Ca 0.00 0.00 -0.14 0.00 -0.42 0.00 0.00 57.16 56.60 2ysm n GLU 65 Cb 0.00 -1.43 -0.04 0.00 -0.57 0.00 0.00 31.44 29.40 2ysm n GLU 65 CO 0.00 0.00 0.00 0.22 -0.48 0.00 0.00 177.13 176.87 2ysm h ASP 66 N 10.00 0.91 0.07 1.62 3.58 -1.98 -1.29 116.42 129.33 2ysm h ASP 66 Ca -0.07 -0.49 -0.00 0.00 0.42 0.00 0.00 57.03 56.88 2ysm h ASP 66 Cb 1.31 -0.26 0.00 0.00 1.72 0.00 0.00 39.33 42.10 2ysm h ASP 66 CO 1.18 1.22 -0.03 0.28 -2.88 0.00 0.00 179.24 179.01 2ysm h SER 67 N 0.62 -0.08 -0.50 2.28 0.02 -2.04 -3.24 113.55 110.60 2ysm h SER 67 Ca 0.04 -0.37 0.01 0.00 -0.84 0.00 0.00 61.79 60.63 2ysm h SER 67 Cb 1.00 0.02 -0.03 0.00 0.14 0.00 0.00 62.40 63.54 2ysm h SER 67 CO 0.10 0.34 0.31 0.11 -1.14 0.00 0.00 176.83 176.55 2ysm h LYS 68 N -0.53 0.61 -6.51 3.45 1.79 -1.95 -3.43 116.57 110.01 2ysm h LYS 68 Ca -0.01 -0.04 -0.59 0.00 -2.18 0.00 0.00 60.65 57.83 2ysm h LYS 68 Cb 0.45 -0.14 0.15 0.00 -1.58 0.00 0.00 32.23 31.11 2ysm h LYS 68 CO 0.02 0.40 -0.19 -0.12 -1.08 0.00 0.00 179.45 178.48 2ysm n MET 69 N -4.78 0.80 -4.22 3.15 1.56 -0.49 -3.82 117.12 109.33 2ysm n MET 69 Ca 0.03 0.30 -0.29 0.00 -0.27 0.00 0.00 57.70 57.46 2ysm n MET 69 Cb 0.05 -1.77 -0.09 0.00 2.15 0.00 0.00 33.22 33.56 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 0.50 3.11 -0.02 -0.89 1.43 0.16 -4.91 118.68 118.06 2ysm s LEU 70 Ca 0.66 -0.39 0.08 0.00 -1.03 0.00 0.00 54.13 53.45 2ysm s LEU 70 Cb -0.53 -1.87 -0.02 0.00 0.03 0.00 0.00 46.19 43.80 2ysm s LEU 70 CO 0.56 0.16 -0.26 -0.69 0.23 0.00 0.00 176.35 176.35 2ysm s VAL 71 N -1.35 2.04 0.03 -1.59 1.01 -1.26 -0.94 120.40 118.35 2ysm s VAL 71 Ca 0.23 -1.11 -0.21 0.00 0.00 0.00 0.00 61.98 60.89 2ysm s VAL 71 Cb -0.11 -1.69 -0.06 0.00 0.00 0.00 0.00 36.38 34.52 2ysm s VAL 71 CO 0.15 0.57 0.61 0.00 0.00 0.00 0.00 175.10 176.43 2ysm n ASP 73 N 2.33 1.60 0.03 0.00 5.75 -1.25 -2.13 116.55 122.89 2ysm n ASP 73 Ca -0.08 -1.89 -0.01 0.00 -0.01 0.00 0.00 54.79 52.81 2ysm n ASP 73 Cb 0.51 -0.17 -0.00 0.00 -1.03 0.00 0.00 41.12 40.42 2ysm n ASP 73 CO 0.00 0.00 0.00 0.41 -0.11 0.00 0.00 177.20 177.50 2ysm n THR 74 N 0.34 1.06 0.07 2.12 -1.04 -1.26 -4.83 114.28 110.73 2ysm n THR 74 Ca 0.12 0.33 0.07 0.00 -2.04 0.00 0.00 64.05 62.53 2ysm n THR 74 Cb 0.27 -1.57 -0.04 0.00 -1.82 0.00 0.00 70.33 67.17 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 -2.72 -2.68 -4.81 0.00 -0.08 -0.90 -4.56 116.55 100.80 2ysm n ASP 76 Ca -0.04 -0.37 -0.25 0.00 -1.51 0.00 0.00 54.79 52.63 2ysm n ASP 76 Cb 0.66 -3.16 -0.05 0.00 2.34 0.00 0.00 41.12 40.91 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 -4.53 2.30 -0.11 -0.67 -0.14 -1.26 -4.80 119.74 110.53 2ysm s LYS 77 Ca 0.07 -1.85 -0.01 0.00 -1.36 0.00 0.00 55.97 52.82 2ysm s LYS 77 Cb -0.01 -2.08 -0.03 0.00 -1.68 0.00 0.00 37.83 34.04 2ysm s LYS 77 CO 0.42 -0.27 -0.07 0.20 -0.76 0.00 0.00 175.35 174.87 2ysm s GLY 78 N -4.05 1.68 -0.15 -3.33 0.00 -1.25 -2.25 107.32 97.98 2ysm s GLY 78 Ca 0.39 -0.86 -0.05 0.00 0.00 0.00 0.00 44.72 44.20 2ysm s GLY 78 CO 0.22 -0.37 0.28 -0.19 0.00 0.00 0.00 173.10 173.04 2ysm s TYR 79 N -0.20 -0.47 0.59 1.90 1.51 -0.11 -2.59 117.35 117.98 2ysm s TYR 79 Ca 0.03 0.96 -0.19 0.00 -1.01 0.00 0.00 57.07 56.86 2ysm s TYR 79 Cb -0.13 -0.03 -0.04 0.00 -0.11 0.00 0.00 41.96 41.66 2ysm s TYR 79 CO 0.03 -0.41 1.21 -1.01 -1.11 0.00 0.00 175.55 174.26 2ysm s HIS 80 N 2.44 2.40 0.19 2.71 3.76 -1.26 0.36 115.29 125.89 2ysm s HIS 80 Ca 0.02 1.51 0.35 0.00 -0.15 0.00 0.00 55.06 56.80 2ysm s HIS 80 Cb -0.12 -3.48 1.54 0.00 1.11 0.00 0.00 32.58 31.62 2ysm s HIS 80 CO -0.10 -2.21 2.05 1.79 -0.85 0.00 0.00 174.74 175.42 2ysm h THR 81 N 0.92 0.00 -0.43 1.30 1.35 -1.85 -2.48 112.91 111.72 2ysm h THR 81 Ca -0.50 -0.42 -0.18 0.00 -0.55 0.00 0.00 66.41 64.75 2ysm h THR 81 Cb 1.30 1.42 -0.11 0.00 -1.73 0.00 0.00 68.15 69.02 2ysm h THR 81 CO 0.55 0.00 0.05 2.22 -0.25 0.00 0.00 175.52 178.09 2ysm n PHE 82 N -3.07 1.37 0.00 4.73 -1.74 -1.26 0.23 117.46 117.72 2ysm n PHE 82 Ca 0.00 -1.45 0.00 0.00 -0.56 0.00 0.00 57.45 55.44 2ysm n PHE 82 Cb 0.26 -0.52 0.00 0.00 1.52 0.00 0.00 39.48 40.75 2ysm n PHE 82 CO 0.00 0.00 0.00 0.00 -0.56 0.00 0.00 176.76 176.20 2ysm s LEU 84 N -2.03 3.96 -0.32 0.00 1.43 -1.21 -4.93 118.68 115.59 2ysm s LEU 84 Ca 0.00 1.80 0.03 0.00 -1.03 0.00 0.00 54.13 54.93 2ysm s LEU 84 Cb 0.00 -4.47 0.09 0.00 0.03 0.00 0.00 46.19 41.84 2ysm s LEU 84 CO 0.00 -0.47 0.03 -1.10 0.23 0.00 0.00 176.35 175.03 2ysm s GLN 85 N -3.05 1.47 1.17 1.70 -0.21 -1.26 0.44 119.66 119.93 2ysm s GLN 85 Ca 0.62 -1.62 -0.18 0.00 0.02 0.00 0.00 55.36 54.20 2ysm s GLN 85 Cb -0.13 -2.94 0.27 0.00 1.00 0.00 0.00 33.01 31.21 2ysm s GLN 85 CO 0.17 -0.87 1.11 -1.25 -2.12 0.00 0.00 175.29 172.33 2ysm s PRO 86 N 1.07 -0.98 0.54 2.91 0.04 -1.26 -5.15 135.00 132.17 2ysm s PRO 86 Ca 0.07 0.02 -0.04 0.00 0.04 0.00 0.00 61.00 61.09 2ysm s PRO 86 Cb -0.19 -1.62 0.00 0.00 0.04 0.00 0.00 34.50 32.74 2ysm s PRO 86 CO -0.10 -3.57 0.82 0.14 0.04 0.00 0.00 177.00 174.33 2ysm s VAL 87 N -3.00 3.87 -0.73 -0.36 -7.23 0.17 -4.96 120.40 108.16 2ysm s VAL 87 Ca 0.70 -0.13 -0.14 0.00 -1.81 0.00 0.00 61.98 60.60 2ysm s VAL 87 Cb -0.11 -3.50 0.19 0.00 0.56 0.00 0.00 36.38 33.52 2ysm s VAL 87 CO 0.56 -0.46 0.67 -0.04 -0.31 0.00 0.00 175.10 175.53 2ysm s MET 88 N -4.84 3.38 0.33 4.82 -1.94 0.14 -4.92 119.30 116.27 2ysm s MET 88 Ca 0.52 -2.22 0.11 0.00 -1.71 0.00 0.00 55.69 52.39 2ysm s MET 88 Cb -0.10 -4.37 0.97 0.00 2.01 0.00 0.00 34.83 33.34 2ysm s MET 88 CO 0.43 -1.30 1.69 0.87 -0.01 0.00 0.00 175.02 176.70 2ysm h LYS 89 N 8.12 0.40 -5.05 2.03 1.79 -1.97 -3.43 116.57 118.46 2ysm h LYS 89 Ca -0.03 -0.02 -0.54 0.00 -2.18 0.00 0.00 60.65 57.88 2ysm h LYS 89 Cb 1.06 -0.09 -0.13 0.00 -1.58 0.00 0.00 32.23 31.48 2ysm h LYS 89 CO 0.84 0.26 -0.53 -1.12 -1.08 0.00 0.00 179.45 177.82 2ysm s SER 90 N -5.03 2.63 -0.17 0.86 0.01 -1.26 -5.09 113.70 105.66 2ysm s SER 90 Ca -0.10 -1.63 -0.05 0.00 1.31 0.00 0.00 55.95 55.48 2ysm s SER 90 Cb 0.29 0.42 -0.03 0.00 0.21 0.00 0.00 66.02 66.91 2ysm s SER 90 CO 0.79 -0.89 0.00 -0.69 0.41 0.00 0.00 173.24 172.86 2ysm s VAL 91 N -3.25 4.20 0.56 3.43 1.01 -1.26 -5.05 120.40 120.03 2ysm s VAL 91 Ca 0.26 -0.24 -0.19 0.00 0.00 0.00 0.00 61.98 61.81 2ysm s VAL 91 Cb 0.03 -2.87 -0.05 0.00 0.00 0.00 0.00 36.38 33.50 2ysm s VAL 91 CO 0.15 0.47 1.13 -2.16 0.00 0.00 0.00 175.10 174.69 2ysm s PRO 92 N 0.46 3.26 -0.82 2.72 0.04 -1.26 -4.93 135.00 134.47 2ysm s PRO 92 Ca -0.01 1.57 -0.25 0.00 0.04 0.00 0.00 61.00 62.35 2ysm s PRO 92 Cb -0.14 -2.00 -0.01 0.00 0.04 0.00 0.00 34.50 32.40 2ysm s PRO 92 CO 0.02 -0.92 1.72 0.95 0.04 0.00 0.00 177.00 178.81 2ysm s THR 93 N -1.87 3.56 -1.69 1.26 -4.23 -1.26 -3.96 115.64 107.45 2ysm s THR 93 Ca 0.72 -0.17 -0.14 0.00 -1.18 0.00 0.00 61.69 60.92 2ysm s THR 93 Cb -0.23 -4.35 0.13 0.00 1.34 0.00 0.00 72.50 69.39 2ysm s THR 93 CO 0.29 -1.28 0.51 0.59 -0.54 0.00 0.00 174.62 174.19 2ysm n ASN 94 N 11.87 -1.50 -2.95 3.99 4.13 -1.26 -4.85 115.26 124.68 2ysm n ASN 94 Ca 0.27 -1.14 -0.14 0.00 1.68 0.00 0.00 54.58 55.25 2ysm n ASN 94 Cb 0.50 -2.20 0.03 0.00 -1.54 0.00 0.00 39.78 36.57 2ysm n ASN 94 CO 0.00 0.00 0.00 0.61 0.28 0.00 0.00 177.26 178.15 2ysm n GLY 95 N -1.63 1.96 3.65 7.41 0.00 -1.25 -5.12 105.19 110.21 2ysm n GLY 95 Ca -0.05 -0.79 -0.30 0.00 0.00 0.00 0.00 46.02 44.88 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 -0.92 2.91 -0.19 1.61 -0.00 -1.26 -4.82 118.94 116.27 2ysm s TRP 96 Ca 0.31 -0.07 -0.07 0.00 -0.00 0.00 0.00 56.10 56.27 2ysm s TRP 96 Cb 0.30 -1.50 0.08 0.00 -0.00 0.00 0.00 33.47 32.36 2ysm s TRP 96 CO -0.08 0.47 0.40 0.21 -0.00 0.00 0.00 176.95 177.94 2ysm s LYS 97 N -2.32 0.31 1.07 5.86 2.20 -1.26 -3.84 119.74 121.76 2ysm s LYS 97 Ca 0.25 0.96 -0.14 0.00 -0.36 0.00 0.00 55.97 56.68 2ysm s LYS 97 Cb -0.11 0.23 0.22 0.00 -1.51 0.00 0.00 37.83 36.66 2ysm s LYS 97 CO 0.17 -0.24 1.09 0.00 -0.36 0.00 0.00 175.35 176.01 2ysm h LYS 99 N -2.14 -0.37 -0.94 0.00 3.11 -2.01 -0.98 116.57 113.24 2ysm h LYS 99 Ca -0.54 0.03 0.27 0.00 -2.81 0.00 0.00 60.65 57.60 2ysm h LYS 99 Cb 1.33 0.08 -0.04 0.00 -1.00 0.00 0.00 32.23 32.60 2ysm h LYS 99 CO 0.52 -0.06 1.14 -0.97 -2.81 0.00 0.00 179.45 177.27 2ysm h ASN 100 N -0.97 0.00 0.07 4.20 -0.73 -1.99 0.96 115.58 117.11 2ysm h ASN 100 Ca -0.04 0.00 -0.38 0.00 1.87 0.00 0.00 56.30 57.76 2ysm h ASN 100 Cb 0.48 0.00 -0.05 0.00 0.27 0.00 0.00 38.32 39.02 2ysm h ASN 100 CO 0.06 0.00 -2.27 0.00 -0.37 0.00 0.00 177.43 174.85 2ysm h ARG 102 N 0.03 0.00 -6.22 0.00 0.11 0.24 -3.42 114.38 105.11 2ysm h ARG 102 Ca -0.51 0.00 -0.68 0.00 0.10 0.00 0.00 59.98 58.89 2ysm h ARG 102 Cb 1.98 0.00 0.07 0.00 1.11 0.00 0.00 29.97 33.13 2ysm h ARG 102 CO -0.01 0.00 0.17 -0.89 0.10 0.00 0.00 179.97 179.34 2ysm n ILE 103 N -4.21 0.69 -1.75 0.08 -0.00 -0.94 -4.82 119.36 108.41 2ysm n ILE 103 Ca 0.23 -0.17 -0.42 0.00 -0.00 0.00 0.00 62.75 62.39 2ysm n ILE 103 Cb 1.14 -0.58 -0.03 0.00 -0.00 0.00 0.00 39.64 40.16 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 1.07 3.56 -0.21 0.00 2.07 -1.26 -5.11 121.20 121.32 2ysm s ILE 105 Ca 0.73 -0.92 -0.04 0.00 -1.41 0.00 0.00 60.65 59.01 2ysm s ILE 105 Cb -0.49 -2.58 0.11 0.00 0.13 0.00 0.00 42.46 39.63 2ysm s ILE 105 CO 0.33 0.31 0.36 -0.55 -1.91 0.00 0.00 174.94 173.49 2ysm s SER 106 N -1.64 0.18 0.00 4.50 0.15 -1.26 -5.14 113.70 110.49 2ysm s SER 106 Ca 0.18 0.49 0.00 0.00 0.70 0.00 0.00 55.95 57.32 2ysm s SER 106 Cb -0.11 1.08 0.00 0.00 -1.71 0.00 0.00 66.02 65.27 2ysm s SER 106 CO 0.09 -0.27 0.00 0.61 1.20 0.00 0.00 173.24 174.87 2ysm n GLY 107 N 5.37 -1.49 3.57 9.45 0.00 -1.26 -5.09 105.19 115.75 2ysm n GLY 107 Ca -0.06 -1.16 -0.40 0.00 0.00 0.00 0.00 46.02 44.40 2ysm n GLY 107 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 2ysm s PRO 108 N -1.66 2.97 0.42 1.61 0.04 -1.26 -4.97 135.00 132.15 2ysm s PRO 108 Ca 0.00 0.92 0.06 0.00 0.04 0.00 0.00 61.00 62.02 2ysm s PRO 108 Cb 0.00 -4.29 -0.07 0.00 0.04 0.00 0.00 34.50 30.19 2ysm s PRO 108 CO 0.00 -2.31 0.02 -1.54 0.04 0.00 0.00 177.00 173.21 2ysm s SER 109 N 6.98 3.96 0.30 6.66 1.04 -1.26 -5.16 113.70 126.22 2ysm s SER 109 Ca 0.71 -1.39 -0.11 0.00 0.48 0.00 0.00 55.95 55.64 2ysm s SER 109 Cb -0.16 -0.28 0.01 0.00 0.10 0.00 0.00 66.02 65.69 2ysm s SER 109 CO 0.26 -0.51 0.55 -0.44 0.98 0.00 0.00 173.24 174.08 2ysm s SER 110 N -3.75 0.20 0.00 7.02 0.01 -1.26 -5.27 113.70 110.65 2ysm s SER 110 Ca 0.32 -1.10 0.15 0.00 1.31 0.00 0.00 55.95 56.63 2ysm s SER 110 Cb 0.08 0.67 0.91 0.00 0.21 0.00 0.00 66.02 67.90 2ysm s SER 110 CO 0.16 -1.30 1.33 0.61 0.41 0.00 0.00 173.24 174.45