#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2ysm s SER 2 N 0.00 5.61 0.25 1.61 0.15 -1.26 -4.96 113.70 115.09 2ysm s SER 2 Ca 0.00 2.46 -0.30 0.00 0.70 0.00 0.00 55.95 58.81 2ysm s SER 2 Cb 0.00 -2.61 -0.09 0.00 -1.71 0.00 0.00 66.02 61.61 2ysm s SER 2 CO 0.00 -1.31 1.23 -0.55 1.20 0.00 0.00 173.24 173.80 2ysm s SER 3 N -1.33 7.01 0.51 5.45 0.15 -1.26 -4.80 113.70 119.44 2ysm s SER 3 Ca 0.70 2.39 0.00 0.00 0.70 0.00 0.00 55.95 59.74 2ysm s SER 3 Cb -0.32 -2.62 0.00 0.00 -1.71 0.00 0.00 66.02 61.36 2ysm s SER 3 CO 0.38 -0.39 0.00 0.61 1.20 0.00 0.00 173.24 175.03 2ysm n GLY 4 N 1.67 -3.32 2.81 9.45 0.00 -1.26 -4.83 105.19 109.71 2ysm n GLY 4 Ca 0.02 -1.10 -0.29 0.00 0.00 0.00 0.00 46.02 44.66 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 -6.51 4.04 -0.08 1.61 0.15 -1.26 -5.06 113.70 106.58 2ysm s SER 5 Ca 0.00 -3.24 -0.30 0.00 0.70 0.00 0.00 55.95 53.12 2ysm s SER 5 Cb 0.00 -1.36 0.11 0.00 -1.71 0.00 0.00 66.02 63.06 2ysm s SER 5 CO 0.00 -0.18 0.94 -0.55 1.20 0.00 0.00 173.24 174.65 2ysm s SER 6 N -0.53 -0.37 0.00 5.45 0.15 -1.26 -5.18 113.70 111.96 2ysm s SER 6 Ca 0.22 0.19 0.00 0.00 0.70 0.00 0.00 55.95 57.06 2ysm s SER 6 Cb -0.14 0.35 0.00 0.00 -1.71 0.00 0.00 66.02 64.51 2ysm s SER 6 CO -0.08 -0.49 0.00 0.61 1.20 0.00 0.00 173.24 174.48 2ysm n GLY 7 N 0.21 3.36 1.23 9.45 0.00 -1.26 -5.03 105.19 113.14 2ysm n GLY 7 Ca -0.09 -0.42 -0.03 0.00 0.00 0.00 0.00 46.02 45.49 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 -3.00 4.07 -2.03 4.61 0.00 -1.26 -4.88 120.51 118.02 2ysm n ALA 8 Ca 0.00 -2.85 -0.19 0.00 0.00 0.00 0.00 53.44 50.40 2ysm n ALA 8 Cb 0.00 -0.82 0.05 0.00 0.00 0.00 0.00 19.45 18.68 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 -2.18 5.17 0.16 0.00 0.01 -1.26 -4.70 114.94 112.14 2ysm s ASN 9 Ca 0.46 -0.73 -0.31 0.00 -0.71 0.00 0.00 52.86 51.58 2ysm s ASN 9 Cb 0.40 0.08 -0.08 0.00 0.41 0.00 0.00 41.25 42.05 2ysm s ASN 9 CO 0.04 -1.26 1.35 0.00 -1.51 0.00 0.00 177.10 175.72 2ysm n ALA 11 N 3.23 2.51 -0.04 0.00 0.00 -1.18 -0.80 120.51 124.23 2ysm n ALA 11 Ca 0.09 -0.42 -0.08 0.00 0.00 0.00 0.00 53.44 53.03 2ysm n ALA 11 Cb 0.43 -1.09 -0.04 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 0.09 0.51 -0.04 0.00 0.31 -1.26 -4.81 118.33 113.12 2ysm n VAL 12 Ca 0.13 -0.17 -0.03 0.00 -0.01 0.00 0.00 64.34 64.27 2ysm n VAL 12 Cb 0.24 -1.12 -0.09 0.00 -0.91 0.00 0.00 33.84 31.96 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 -2.28 -2.49 -3.94 0.00 2.03 0.02 -5.00 116.55 104.90 2ysm n ASP 14 Ca -0.14 -0.22 -0.14 0.00 0.52 0.00 0.00 54.79 54.81 2ysm n ASP 14 Cb 0.72 -2.22 -0.14 0.00 -0.72 0.00 0.00 41.12 38.75 2ysm n ASP 14 CO 0.00 0.00 0.00 -0.44 -1.92 0.00 0.00 177.20 174.84 2ysm s SER 15 N -3.40 0.41 -0.02 1.67 0.01 -1.26 -4.81 113.70 106.30 2ysm s SER 15 Ca 0.06 -0.11 -0.25 0.00 1.31 0.00 0.00 55.95 56.97 2ysm s SER 15 Cb -0.03 -0.03 -0.19 0.00 0.21 0.00 0.00 66.02 65.98 2ysm s SER 15 CO 0.27 0.01 1.21 1.55 0.41 0.00 0.00 173.24 176.70 2ysm h PRO 16 N 5.92 -0.08 0.00 12.44 0.13 -1.96 -3.22 132.00 145.23 2ysm h PRO 16 Ca -0.27 0.01 0.00 0.00 -0.87 0.00 0.00 66.00 64.86 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 0.50 0.38 0.00 0.41 -0.23 0.00 0.00 178.00 179.06 2ysm n GLY 17 N 0.21 1.60 3.46 1.56 0.00 -1.26 -4.05 105.19 106.70 2ysm n GLY 17 Ca -0.08 0.35 -0.34 0.00 0.00 0.00 0.00 46.02 45.94 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 -3.19 4.66 -0.18 1.61 1.01 -1.26 -5.00 116.67 114.32 2ysm s ASP 18 Ca 0.00 -0.18 -0.04 0.00 0.71 0.00 0.00 52.55 53.04 2ysm s ASP 18 Cb 0.00 -1.76 -0.22 0.00 1.01 0.00 0.00 42.92 41.95 2ysm s ASP 18 CO 0.00 0.14 0.12 0.18 0.21 0.00 0.00 175.17 175.82 2ysm n LEU 19 N 3.70 2.75 -0.25 1.23 4.32 -1.26 -3.65 117.00 123.84 2ysm n LEU 19 Ca -0.17 0.08 -0.07 0.00 -0.02 0.00 0.00 56.01 55.82 2ysm n LEU 19 Cb 0.52 -1.03 0.05 0.00 -1.62 0.00 0.00 43.42 41.34 2ysm n LEU 19 CO 0.32 0.88 0.96 -0.07 -1.22 0.00 0.00 177.39 178.26 2ysm h LEU 20 N 0.01 1.04 -0.26 2.23 3.38 -1.95 -3.02 115.31 116.74 2ysm h LEU 20 Ca -0.49 -0.22 -0.03 0.00 0.09 0.00 0.00 57.88 57.23 2ysm h LEU 20 Cb 1.96 -0.27 -0.01 0.00 0.09 0.00 0.00 40.66 42.43 2ysm h LEU 20 CO 0.01 0.98 0.03 0.44 0.09 0.00 0.00 178.44 179.99 2ysm h ASP 21 N 1.04 0.42 -3.99 -0.43 3.32 -2.00 -3.43 116.42 111.35 2ysm h ASP 21 Ca 0.22 -0.28 -0.46 0.00 0.02 0.00 0.00 57.03 56.54 2ysm h ASP 21 Cb 0.33 -0.11 -0.01 0.00 0.22 0.00 0.00 39.33 39.76 2ysm h ASP 21 CO -0.00 0.59 0.36 0.00 -1.72 0.00 0.00 179.24 178.47 2ysm s GLN 22 N -5.11 4.30 0.82 3.56 -2.07 -1.14 -4.74 119.66 115.28 2ysm s GLN 22 Ca -0.14 1.28 -0.11 0.00 -1.82 0.00 0.00 55.36 54.58 2ysm s GLN 22 Cb 0.08 -2.44 0.08 0.00 -1.09 0.00 0.00 33.01 29.64 2ysm s GLN 22 CO 0.74 0.02 1.11 -0.06 -1.32 0.00 0.00 175.29 175.79 2ysm s PHE 23 N -1.88 2.25 -0.07 9.60 0.40 -1.06 -4.83 117.98 122.39 2ysm s PHE 23 Ca 0.58 1.64 -0.01 0.00 -0.60 0.00 0.00 56.93 58.53 2ysm s PHE 23 Cb -0.15 -3.16 0.03 0.00 0.51 0.00 0.00 43.02 40.25 2ysm s PHE 23 CO 0.20 -2.14 0.01 0.12 0.70 0.00 0.00 175.22 174.10 2ysm s PHE 24 N -2.79 0.58 0.73 0.36 5.36 -1.26 -2.88 117.98 118.08 2ysm s PHE 24 Ca 0.63 -0.12 -0.13 0.00 -0.96 0.00 0.00 56.93 56.35 2ysm s PHE 24 Cb -0.19 -0.76 0.04 0.00 -0.34 0.00 0.00 43.02 41.77 2ysm s PHE 24 CO 0.56 -0.31 1.14 0.00 -1.46 0.00 0.00 175.22 175.14 2ysm n THR 26 N -2.95 0.93 0.14 0.00 -2.24 -1.26 -3.60 114.28 105.30 2ysm n THR 26 Ca 0.11 -0.55 -0.06 0.00 -2.27 0.00 0.00 64.05 61.27 2ysm n THR 26 Cb 0.52 -0.68 -0.03 0.00 -2.10 0.00 0.00 70.33 68.04 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 0.15 4.28 2.02 -1.93 -3.39 112.91 114.04 2ysm h THR 27 Ca -0.37 -0.40 -0.33 0.00 0.77 0.00 0.00 66.41 66.09 2ysm h THR 27 Cb 1.81 0.00 0.00 0.00 -1.74 0.00 0.00 68.15 68.22 2ysm h THR 27 CO 0.01 0.00 -1.67 0.00 0.37 0.00 0.00 175.52 174.24 2ysm n GLY 29 N 1.84 1.03 4.02 0.00 0.00 -1.24 -5.06 105.19 105.77 2ysm n GLY 29 Ca -0.26 -0.22 -0.21 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 -1.62 2.18 0.02 1.61 -1.52 -1.26 -4.81 119.66 114.26 2ysm s GLN 30 Ca 0.00 -1.40 0.03 0.00 -1.95 0.00 0.00 55.36 52.04 2ysm s GLN 30 Cb 0.00 -2.56 -0.01 0.00 -0.22 0.00 0.00 33.01 30.22 2ysm s GLN 30 CO 0.00 -0.97 -0.09 -1.01 -0.25 0.00 0.00 175.29 172.97 2ysm s HIS 31 N -2.78 0.78 -0.17 0.91 3.76 -1.25 -1.76 115.29 114.77 2ysm s HIS 31 Ca 0.62 -0.28 -0.06 0.00 -0.15 0.00 0.00 55.06 55.18 2ysm s HIS 31 Cb -0.06 -0.48 0.08 0.00 1.11 0.00 0.00 32.58 33.23 2ysm s HIS 31 CO 0.40 -0.02 0.37 0.71 -0.85 0.00 0.00 174.74 175.35 2ysm s TYR 32 N -0.68 -0.66 0.35 1.40 1.51 -1.14 -3.08 117.35 115.05 2ysm s TYR 32 Ca -0.01 1.33 -0.28 0.00 -1.01 0.00 0.00 57.07 57.10 2ysm s TYR 32 Cb -0.06 0.20 -0.10 0.00 -0.11 0.00 0.00 41.96 41.89 2ysm s TYR 32 CO 0.00 -0.42 1.27 -1.01 -1.11 0.00 0.00 175.55 174.28 2ysm s HIS 33 N 2.39 3.03 0.42 2.71 3.76 -1.26 -2.57 115.29 123.78 2ysm s HIS 33 Ca -0.02 1.45 0.21 0.00 -0.15 0.00 0.00 55.06 56.56 2ysm s HIS 33 Cb -0.12 -3.61 1.18 0.00 1.11 0.00 0.00 32.58 31.14 2ysm s HIS 33 CO -0.11 -1.75 1.78 0.78 -0.85 0.00 0.00 174.74 174.58 2ysm h GLY 34 N 3.15 1.03 0.24 -2.22 0.00 -1.85 -0.99 103.07 102.42 2ysm h GLY 34 Ca -0.49 -0.17 -0.00 0.00 0.00 0.00 0.00 47.33 46.67 2ysm h GLY 34 CO 0.64 -0.12 -0.00 -0.33 0.00 0.00 0.00 176.54 176.73 2ysm h MET 35 N 0.32 -0.01 -0.99 4.80 2.86 -1.90 0.49 114.93 120.51 2ysm h MET 35 Ca 0.59 0.00 0.26 0.00 -2.06 0.00 0.00 59.70 58.49 2ysm h MET 35 Cb 1.63 0.00 -0.07 0.00 0.06 0.00 0.00 31.60 33.23 2ysm h MET 35 CO -0.25 0.73 0.67 0.00 1.06 0.00 0.00 176.91 179.11 2ysm n LEU 37 N -4.45 0.22 -1.61 0.00 4.77 -0.64 -4.99 117.00 110.30 2ysm n LEU 37 Ca 0.22 0.09 -0.07 0.00 -0.03 0.00 0.00 56.01 56.22 2ysm n LEU 37 Cb 0.89 0.08 0.03 0.00 -2.33 0.00 0.00 43.42 42.09 2ysm n LEU 37 CO 0.32 0.06 0.07 0.47 -1.33 0.00 0.00 177.39 176.98 2ysm n ASP 38 N -2.47 -3.07 -4.50 -1.43 8.00 0.14 -5.05 116.55 108.18 2ysm n ASP 38 Ca -0.09 -0.19 -0.33 0.00 0.71 0.00 0.00 54.79 54.90 2ysm n ASP 38 Cb 0.69 -2.02 -0.13 0.00 -0.02 0.00 0.00 41.12 39.64 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 -3.11 3.22 -0.61 0.53 1.01 0.62 -5.00 121.20 117.85 2ysm s ILE 39 Ca 0.14 -0.66 -0.28 0.00 0.00 0.00 0.00 60.65 59.86 2ysm s ILE 39 Cb -0.06 -2.28 0.01 0.00 0.01 0.00 0.00 42.46 40.15 2ysm s ILE 39 CO 0.24 0.59 1.41 0.00 0.00 0.00 0.00 174.94 177.19 2ysm s ALA 40 N -0.75 2.74 0.12 9.38 0.00 -1.26 -4.67 121.76 127.33 2ysm s ALA 40 Ca 0.12 -0.84 -0.34 0.00 0.00 0.00 0.00 51.96 50.89 2ysm s ALA 40 Cb -0.11 -4.16 -0.14 0.00 0.00 0.00 0.00 23.12 18.72 2ysm s ALA 40 CO 0.01 -3.10 1.62 0.28 0.00 0.00 0.00 175.76 174.57 2ysm n VAL 41 N 6.77 0.09 -3.98 0.00 0.31 -1.26 -4.97 118.33 115.29 2ysm n VAL 41 Ca 0.11 -0.02 -0.09 0.00 -0.01 0.00 0.00 64.34 64.33 2ysm n VAL 41 Cb 0.49 -1.59 -0.11 0.00 -0.91 0.00 0.00 33.84 31.73 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 1.38 0.12 -2.00 2.52 -1.32 -1.26 -5.02 115.64 110.06 2ysm s THR 42 Ca 0.81 -1.00 0.14 0.00 -1.21 0.00 0.00 61.69 60.43 2ysm s THR 42 Cb -0.68 -0.41 0.39 0.00 -1.51 0.00 0.00 72.50 70.28 2ysm s THR 42 CO 0.40 -0.55 1.23 -0.81 -2.21 0.00 0.00 174.62 172.68 2ysm n PRO 43 N 1.42 0.49 -0.12 7.08 -0.04 -1.26 -2.37 135.00 140.20 2ysm n PRO 43 Ca -0.23 0.00 -0.21 0.00 -0.04 0.00 0.00 63.50 63.02 2ysm n PRO 43 Cb 0.56 -1.43 -0.10 0.00 -0.04 0.00 0.00 33.50 32.49 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 -0.93 2.31 0.05 1.53 7.94 -1.26 -4.54 117.00 122.09 2ysm n LEU 44 Ca 0.10 0.10 -0.12 0.00 -1.11 0.00 0.00 56.01 54.98 2ysm n LEU 44 Cb 0.05 -0.76 -0.09 0.00 0.53 0.00 0.00 43.42 43.15 2ysm n LEU 44 CO 0.08 0.68 0.55 0.50 -1.11 0.00 0.00 177.39 178.09 2ysm h LYS 45 N -0.47 -0.17 -0.73 1.96 3.64 -1.69 -3.22 116.57 115.89 2ysm h LYS 45 Ca -0.57 0.01 0.22 0.00 -1.27 0.00 0.00 60.65 59.04 2ysm h LYS 45 Cb 1.66 0.04 -0.14 0.00 -0.41 0.00 0.00 32.23 33.38 2ysm h LYS 45 CO -0.24 0.25 0.07 0.54 -2.27 0.00 0.00 179.45 177.80 2ysm n ARG 46 N -4.96 -0.06 -2.21 1.90 1.74 -1.00 -3.33 116.66 108.75 2ysm n ARG 46 Ca -0.09 1.08 -0.40 0.00 -0.77 0.00 0.00 57.85 57.67 2ysm n ARG 46 Cb 0.25 -1.74 -0.03 0.00 -1.02 0.00 0.00 32.46 29.92 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 -5.56 2.46 0.00 7.54 0.00 -1.22 -3.31 121.76 121.68 2ysm s ALA 47 Ca -0.09 -0.74 0.00 0.00 0.00 0.00 0.00 51.96 51.13 2ysm s ALA 47 Cb 0.22 -4.24 0.00 0.00 0.00 0.00 0.00 23.12 19.10 2ysm s ALA 47 CO 0.57 -3.49 0.00 0.41 0.00 0.00 0.00 175.76 173.24 2ysm n GLY 48 N 5.53 0.46 3.85 0.00 0.00 -1.24 -5.00 105.19 108.78 2ysm n GLY 48 Ca 0.15 -0.45 -0.32 0.00 0.00 0.00 0.00 46.02 45.41 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 -2.85 3.41 -0.01 1.61 -0.00 -1.21 -5.04 118.94 114.85 2ysm s TRP 49 Ca 0.00 1.29 0.00 0.00 -0.00 0.00 0.00 56.10 57.39 2ysm s TRP 49 Cb 0.00 -2.62 0.01 0.00 -0.00 0.00 0.00 33.47 30.87 2ysm s TRP 49 CO 0.00 -0.12 0.00 -0.65 -0.00 0.00 0.00 176.95 176.19 2ysm s GLN 50 N -3.56 0.11 0.70 5.86 -0.21 -1.26 -4.27 119.66 117.03 2ysm s GLN 50 Ca 0.56 0.05 -0.13 0.00 0.02 0.00 0.00 55.36 55.86 2ysm s GLN 50 Cb -0.10 -0.23 0.02 0.00 1.00 0.00 0.00 33.01 33.69 2ysm s GLN 50 CO 0.25 -0.07 1.09 0.00 -2.12 0.00 0.00 175.29 174.43 2ysm n PRO 52 N -2.91 0.00 0.10 0.00 -0.04 -1.26 -0.01 135.00 130.88 2ysm n PRO 52 Ca 0.09 0.26 0.08 0.00 -0.04 0.00 0.00 63.50 63.89 2ysm n PRO 52 Cb 0.53 -1.50 -0.00 0.00 -0.04 0.00 0.00 33.50 32.48 2ysm n PRO 52 CO 0.00 0.00 0.00 0.93 -0.04 0.00 0.00 175.50 176.39 2ysm h GLU 53 N 0.00 0.00 0.00 0.54 4.39 -2.04 -3.37 114.58 114.09 2ysm h GLU 53 Ca 0.00 0.00 -0.17 0.00 0.34 0.00 0.00 59.36 59.53 2ysm h GLU 53 Cb 0.25 0.00 -0.03 0.00 -0.10 0.00 0.00 28.75 28.86 2ysm h GLU 53 CO 0.00 0.12 -1.64 0.00 -1.16 0.00 0.00 179.01 176.33 2ysm n LYS 55 N -2.33 1.92 -3.93 0.00 4.81 0.98 -5.00 118.16 114.61 2ysm n LYS 55 Ca -0.15 0.68 -0.10 0.00 -0.87 0.00 0.00 58.31 57.87 2ysm n LYS 55 Cb 0.79 -2.28 -0.10 0.00 0.02 0.00 0.00 35.03 33.46 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 -0.41 0.11 -0.14 3.15 -7.23 -1.26 -4.77 120.40 109.85 2ysm s VAL 56 Ca 0.65 -0.92 -0.31 0.00 -1.81 0.00 0.00 61.98 59.59 2ysm s VAL 56 Cb -0.65 -0.57 -0.08 0.00 0.56 0.00 0.00 36.38 35.63 2ysm s VAL 56 CO 0.54 -0.51 2.08 0.00 -0.31 0.00 0.00 175.10 176.91 2ysm h GLN 58 N 12.34 0.00 0.42 0.00 1.08 -1.85 0.79 115.11 127.89 2ysm h GLN 58 Ca -0.43 0.00 -0.02 0.00 -1.45 0.00 0.00 58.65 56.75 2ysm h GLN 58 Cb 1.26 0.00 0.00 0.00 -0.05 0.00 0.00 27.48 28.69 2ysm h GLN 58 CO 0.96 0.00 -0.20 -0.91 -0.95 0.00 0.00 178.83 177.73 2ysm h ASN 59 N 0.00 -0.48 -0.40 1.46 4.21 -1.88 -3.31 115.58 115.19 2ysm h ASN 59 Ca 0.00 -0.11 0.00 0.00 1.21 0.00 0.00 56.30 57.40 2ysm h ASN 59 Cb 0.56 0.12 0.00 0.00 -1.12 0.00 0.00 38.32 37.88 2ysm h ASN 59 CO 0.00 -0.10 0.00 0.00 -1.29 0.00 0.00 177.43 176.04 2ysm n LYS 61 N 0.44 -2.27 -3.78 0.00 4.76 0.27 -4.97 118.16 112.61 2ysm n LYS 61 Ca 0.17 0.35 -0.13 0.00 -2.87 0.00 0.00 58.31 55.83 2ysm n LYS 61 Cb 0.61 -4.13 -0.09 0.00 -1.84 0.00 0.00 35.03 29.58 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 -6.61 0.62 0.00 1.97 -1.52 -0.62 -4.90 119.66 108.60 2ysm s GLN 62 Ca 0.16 -0.18 0.22 0.00 -1.95 0.00 0.00 55.36 53.61 2ysm s GLN 62 Cb -0.07 0.27 -0.03 0.00 -0.22 0.00 0.00 33.01 32.97 2ysm s GLN 62 CO 0.90 -0.16 1.02 0.45 -0.25 0.00 0.00 175.29 177.25 2ysm n SER 63 N 1.42 0.80 -3.02 5.90 2.88 -1.26 0.10 113.62 120.44 2ysm n SER 63 Ca -0.21 -0.71 -0.01 0.00 -1.33 0.00 0.00 58.87 56.61 2ysm n SER 63 Cb 0.56 0.84 0.01 0.00 -0.75 0.00 0.00 64.21 64.87 2ysm n SER 63 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 2ysm n GLY 64 N 1.48 -2.86 4.28 0.46 0.00 -1.26 -3.97 105.19 103.32 2ysm n GLY 64 Ca 0.04 -0.94 -0.30 0.00 0.00 0.00 0.00 46.02 44.81 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 -1.65 -1.18 0.38 1.61 4.71 -1.26 -4.79 120.64 118.45 2ysm n GLU 65 Ca 0.01 0.12 -0.18 0.00 -0.01 0.00 0.00 57.16 57.10 2ysm n GLU 65 Cb 0.02 -3.67 -0.09 0.00 -1.01 0.00 0.00 31.44 26.69 2ysm n GLU 65 CO 0.00 0.00 0.00 -0.44 0.09 0.00 0.00 177.13 176.78 2ysm h ASP 66 N -1.80 -0.99 -0.87 1.62 3.32 -1.93 0.25 116.42 116.02 2ysm h ASP 66 Ca -0.66 0.05 0.09 0.00 0.02 0.00 0.00 57.03 56.53 2ysm h ASP 66 Cb 1.40 0.28 -0.12 0.00 0.22 0.00 0.00 39.33 41.11 2ysm h ASP 66 CO 0.70 -0.63 -0.57 0.28 -1.72 0.00 0.00 179.24 177.31 2ysm h SER 67 N -1.01 -2.04 -0.81 6.45 0.02 -1.94 0.21 113.55 114.43 2ysm h SER 67 Ca -0.09 0.31 -0.04 0.00 -0.84 0.00 0.00 61.79 61.13 2ysm h SER 67 Cb 0.81 0.90 -0.04 0.00 0.14 0.00 0.00 62.40 64.21 2ysm h SER 67 CO 0.10 -0.27 0.36 0.11 -1.14 0.00 0.00 176.83 175.99 2ysm h LYS 68 N -0.08 1.19 -6.10 3.45 1.57 -1.92 -3.44 116.57 111.24 2ysm h LYS 68 Ca 0.16 -0.20 -0.73 0.00 -1.87 0.00 0.00 60.65 58.01 2ysm h LYS 68 Cb 0.46 -0.20 0.06 0.00 0.08 0.00 0.00 32.23 32.63 2ysm h LYS 68 CO -0.87 0.94 0.07 -0.12 -0.57 0.00 0.00 179.45 178.90 2ysm n MET 69 N -4.31 0.37 -3.64 3.15 1.56 0.86 -4.20 117.12 110.91 2ysm n MET 69 Ca 0.08 0.13 -0.40 0.00 -0.27 0.00 0.00 57.70 57.24 2ysm n MET 69 Cb 0.16 -1.58 -0.12 0.00 2.15 0.00 0.00 33.22 33.83 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 0.61 4.51 -0.36 -0.89 1.43 -0.18 -4.92 118.68 118.88 2ysm s LEU 70 Ca 0.83 -0.94 -0.23 0.00 -1.03 0.00 0.00 54.13 52.76 2ysm s LEU 70 Cb -1.10 -1.98 0.01 0.00 0.03 0.00 0.00 46.19 43.14 2ysm s LEU 70 CO 0.54 -0.34 0.75 -0.69 0.23 0.00 0.00 176.35 176.85 2ysm s VAL 71 N 1.53 4.77 1.05 -1.59 1.01 -1.26 -2.12 120.40 123.78 2ysm s VAL 71 Ca 0.02 0.81 -0.13 0.00 0.00 0.00 0.00 61.98 62.68 2ysm s VAL 71 Cb -0.19 -4.18 0.18 0.00 0.00 0.00 0.00 36.38 32.18 2ysm s VAL 71 CO 0.06 -0.41 0.81 0.00 0.00 0.00 0.00 175.10 175.55 2ysm n ASP 73 N -3.65 1.33 -0.02 0.00 5.68 -1.24 -3.55 116.55 115.09 2ysm n ASP 73 Ca 0.06 -0.04 -0.01 0.00 -0.50 0.00 0.00 54.79 54.31 2ysm n ASP 73 Cb 0.54 0.53 -0.00 0.00 -1.14 0.00 0.00 41.12 41.05 2ysm n ASP 73 CO 0.00 0.00 0.00 0.74 -1.33 0.00 0.00 177.20 176.61 2ysm h THR 74 N 0.00 0.00 0.00 2.12 2.02 -1.93 -3.40 112.91 111.72 2ysm h THR 74 Ca -0.46 -0.41 0.00 0.00 0.77 0.00 0.00 66.41 66.31 2ysm h THR 74 Cb 1.94 0.00 0.00 0.00 -1.74 0.00 0.00 68.15 68.35 2ysm h THR 74 CO -0.01 0.00 -0.67 0.00 0.37 0.00 0.00 175.52 175.21 2ysm n ASP 76 N -2.31 -1.99 0.00 0.00 9.92 -1.23 -4.92 116.55 116.02 2ysm n ASP 76 Ca 0.03 -1.18 0.00 0.00 -0.53 0.00 0.00 54.79 53.10 2ysm n ASP 76 Cb 0.47 -2.23 0.00 0.00 -0.64 0.00 0.00 41.12 38.72 2ysm n ASP 76 CO 0.00 0.00 0.00 0.29 0.13 0.00 0.00 177.20 177.62 2ysm n LYS 77 N -4.64 0.00 0.00 -1.24 4.76 -1.26 -4.73 118.16 111.05 2ysm n LYS 77 Ca -0.22 0.20 0.00 0.00 -2.87 0.00 0.00 58.31 55.42 2ysm n LYS 77 Cb 0.63 -0.69 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 2.29 2.82 3.07 0.72 0.00 -1.25 -4.70 105.19 108.13 2ysm n GLY 78 Ca 0.00 -0.83 -0.12 0.00 0.00 0.00 0.00 46.02 45.07 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 -0.32 0.62 1.61 2.02 -0.90 -3.81 117.35 116.57 2ysm s TYR 79 Ca 0.00 0.76 -0.16 0.00 -0.37 0.00 0.00 57.07 57.30 2ysm s TYR 79 Cb 0.00 0.06 -0.02 0.00 -0.40 0.00 0.00 41.96 41.60 2ysm s TYR 79 CO 0.00 -0.21 1.11 -1.01 -1.57 0.00 0.00 175.55 173.87 2ysm s HIS 80 N 1.02 2.68 0.06 2.71 3.76 -1.26 -1.02 115.29 123.24 2ysm s HIS 80 Ca -0.07 1.55 -0.32 0.00 -0.15 0.00 0.00 55.06 56.06 2ysm s HIS 80 Cb -0.09 -3.18 -0.19 0.00 1.11 0.00 0.00 32.58 30.24 2ysm s HIS 80 CO -0.07 -1.59 1.53 1.79 -0.85 0.00 0.00 174.74 175.55 2ysm h THR 81 N 0.40 0.29 0.00 1.30 1.35 -1.91 -1.82 112.91 112.52 2ysm h THR 81 Ca -0.48 -0.09 0.00 0.00 -0.55 0.00 0.00 66.41 65.30 2ysm h THR 81 Cb 1.25 0.32 0.00 0.00 -1.73 0.00 0.00 68.15 67.99 2ysm h THR 81 CO 0.55 0.01 0.00 2.22 -0.25 0.00 0.00 175.52 178.05 2ysm n PHE 82 N -5.47 0.00 0.92 4.73 -1.74 -1.26 -0.73 117.46 113.91 2ysm n PHE 82 Ca -0.13 0.00 0.10 0.00 -0.56 0.00 0.00 57.45 56.85 2ysm n PHE 82 Cb 0.38 -0.18 -0.05 0.00 1.52 0.00 0.00 39.48 41.14 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 -2.63 4.30 -0.31 0.00 1.43 0.09 -4.88 118.68 116.68 2ysm s LEU 84 Ca 0.12 1.40 0.02 0.00 -1.03 0.00 0.00 54.13 54.65 2ysm s LEU 84 Cb 0.16 -3.65 0.09 0.00 0.03 0.00 0.00 46.19 42.82 2ysm s LEU 84 CO 0.66 -0.00 0.03 0.00 0.23 0.00 0.00 176.35 177.27 2ysm s GLN 85 N -2.11 1.42 1.19 1.70 -2.07 -1.26 0.04 119.66 118.57 2ysm s GLN 85 Ca 0.44 -1.53 -0.19 0.00 -1.82 0.00 0.00 55.36 52.26 2ysm s GLN 85 Cb -0.16 -2.84 0.28 0.00 -1.09 0.00 0.00 33.01 29.20 2ysm s GLN 85 CO 0.20 -0.86 1.11 -1.25 -1.32 0.00 0.00 175.29 173.17 2ysm s PRO 86 N 1.14 -1.12 0.06 9.60 0.04 -1.26 -5.13 135.00 138.32 2ysm s PRO 86 Ca 0.06 -0.03 -0.12 0.00 0.04 0.00 0.00 61.00 60.95 2ysm s PRO 86 Cb -0.19 -1.60 -0.06 0.00 0.04 0.00 0.00 34.50 32.69 2ysm s PRO 86 CO -0.11 -3.65 0.43 0.54 0.04 0.00 0.00 177.00 174.25 2ysm s VAL 87 N -3.00 5.03 0.07 -0.36 0.11 0.11 -4.98 120.40 117.37 2ysm s VAL 87 Ca 0.71 0.65 -0.31 0.00 -2.93 0.00 0.00 61.98 60.10 2ysm s VAL 87 Cb -0.10 -3.69 -0.06 0.00 -1.53 0.00 0.00 36.38 31.00 2ysm s VAL 87 CO 0.56 0.38 1.22 -0.04 -3.33 0.00 0.00 175.10 173.89 2ysm s MET 88 N -1.63 4.42 0.30 1.54 -1.94 -1.17 -4.93 119.30 115.90 2ysm s MET 88 Ca 0.31 1.81 0.06 0.00 -1.71 0.00 0.00 55.69 56.16 2ysm s MET 88 Cb -0.15 -3.33 0.49 0.00 2.01 0.00 0.00 34.83 33.85 2ysm s MET 88 CO 0.17 -0.27 1.73 0.87 -0.01 0.00 0.00 175.02 177.50 2ysm h LYS 89 N 6.76 0.26 -4.13 2.03 1.79 -1.97 -3.43 116.57 117.89 2ysm h LYS 89 Ca -0.42 -0.11 -0.19 0.00 -2.18 0.00 0.00 60.65 57.75 2ysm h LYS 89 Cb 1.21 -0.01 -0.11 0.00 -1.58 0.00 0.00 32.23 31.75 2ysm h LYS 89 CO 0.82 0.60 -0.31 -1.12 -1.08 0.00 0.00 179.45 178.35 2ysm s SER 90 N -6.87 0.32 -0.20 0.86 0.01 -1.26 -5.14 113.70 101.41 2ysm s SER 90 Ca -0.05 -1.25 -0.09 0.00 1.31 0.00 0.00 55.95 55.87 2ysm s SER 90 Cb 0.14 0.54 -0.05 0.00 0.21 0.00 0.00 66.02 66.86 2ysm s SER 90 CO 0.77 -1.08 0.12 -0.69 0.41 0.00 0.00 173.24 172.77 2ysm s VAL 91 N -3.80 5.24 0.55 3.43 1.01 -1.26 -5.08 120.40 120.48 2ysm s VAL 91 Ca 0.31 0.13 -0.19 0.00 0.00 0.00 0.00 61.98 62.22 2ysm s VAL 91 Cb 0.02 -3.39 -0.05 0.00 0.00 0.00 0.00 36.38 32.95 2ysm s VAL 91 CO 0.14 0.43 1.13 -2.16 0.00 0.00 0.00 175.10 174.64 2ysm s PRO 92 N 0.46 3.31 0.07 2.72 0.04 -1.26 -4.97 135.00 135.37 2ysm s PRO 92 Ca 0.07 1.59 -0.16 0.00 0.04 0.00 0.00 61.00 62.53 2ysm s PRO 92 Cb -0.12 -2.00 -0.13 0.00 0.04 0.00 0.00 34.50 32.29 2ysm s PRO 92 CO -0.01 -0.88 1.33 0.00 0.04 0.00 0.00 177.00 177.49 2ysm h THR 93 N 1.10 1.33 -1.75 1.26 1.03 -2.05 -3.48 112.91 110.35 2ysm h THR 93 Ca -0.50 -1.61 0.15 0.00 -0.01 0.00 0.00 66.41 64.44 2ysm h THR 93 Cb 1.26 1.87 -0.20 0.00 -1.07 0.00 0.00 68.15 70.01 2ysm h THR 93 CO 0.57 0.50 0.62 0.21 -0.01 0.00 0.00 175.52 177.41 2ysm s ASN 94 N -6.58 -0.29 0.00 0.00 2.47 -1.26 -5.03 114.94 104.25 2ysm s ASN 94 Ca -0.13 0.14 0.00 0.00 0.42 0.00 0.00 52.86 53.29 2ysm s ASN 94 Cb 0.07 0.27 0.00 0.00 -1.45 0.00 0.00 41.25 40.14 2ysm s ASN 94 CO 0.82 -0.39 0.00 0.61 -3.72 0.00 0.00 177.10 174.43 2ysm n GLY 95 N 0.18 0.50 3.84 1.21 0.00 -1.26 -5.07 105.19 104.58 2ysm n GLY 95 Ca -0.06 -0.45 -0.37 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 -2.82 3.51 -0.06 1.61 -0.00 -1.26 -5.10 118.94 114.82 2ysm s TRP 96 Ca 0.00 0.46 0.01 0.00 -0.00 0.00 0.00 56.10 56.57 2ysm s TRP 96 Cb 0.00 -1.91 0.02 0.00 -0.00 0.00 0.00 33.47 31.58 2ysm s TRP 96 CO 0.00 0.68 -0.06 0.21 -0.00 0.00 0.00 176.95 177.77 2ysm s LYS 97 N -0.98 1.11 1.06 5.86 2.20 -1.26 -3.71 119.74 124.02 2ysm s LYS 97 Ca 0.14 -0.18 -0.14 0.00 -0.36 0.00 0.00 55.97 55.44 2ysm s LYS 97 Cb -0.12 -1.07 0.22 0.00 -1.51 0.00 0.00 37.83 35.35 2ysm s LYS 97 CO 0.04 -0.09 1.09 0.00 -0.36 0.00 0.00 175.35 176.02 2ysm h LYS 99 N -2.10 -0.01 -0.85 0.00 3.64 -2.01 -0.19 116.57 115.05 2ysm h LYS 99 Ca -0.54 0.00 0.32 0.00 -1.27 0.00 0.00 60.65 59.16 2ysm h LYS 99 Cb 1.33 0.00 -0.11 0.00 -0.41 0.00 0.00 32.23 33.04 2ysm h LYS 99 CO 0.53 -0.01 0.51 -1.71 -2.27 0.00 0.00 179.45 176.51 2ysm n ASN 100 N -2.05 0.20 -0.03 4.20 2.85 -1.26 0.19 115.26 119.36 2ysm n ASN 100 Ca -0.00 1.08 -0.15 0.00 -0.11 0.00 0.00 54.58 55.40 2ysm n ASN 100 Cb 0.01 -0.53 -0.11 0.00 1.24 0.00 0.00 39.78 40.38 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 -0.59 0.00 -4.61 0.00 0.11 0.40 -3.44 114.38 106.25 2ysm h ARG 102 Ca -0.02 0.00 -0.60 0.00 0.10 0.00 0.00 59.98 59.45 2ysm h ARG 102 Cb 0.93 0.00 0.04 0.00 1.11 0.00 0.00 29.97 32.05 2ysm h ARG 102 CO 0.03 0.00 0.04 -0.89 0.10 0.00 0.00 179.97 179.25 2ysm n ILE 103 N -4.41 0.03 -2.38 0.08 2.08 0.22 -4.75 119.36 110.23 2ysm n ILE 103 Ca 0.03 -0.01 -0.39 0.00 0.56 0.00 0.00 62.75 62.95 2ysm n ILE 103 Cb 0.35 0.00 -0.03 0.00 -0.75 0.00 0.00 39.64 39.21 2ysm n ILE 103 CO 0.00 0.00 0.00 0.00 0.56 0.00 0.00 176.55 177.11 2ysm s ILE 105 N 6.80 5.29 0.32 0.00 1.01 -1.26 -5.09 121.20 128.28 2ysm s ILE 105 Ca 0.48 0.57 0.07 0.00 0.00 0.00 0.00 60.65 61.78 2ysm s ILE 105 Cb -0.07 -3.65 -0.03 0.00 0.01 0.00 0.00 42.46 38.72 2ysm s ILE 105 CO 0.09 0.37 0.28 -0.55 0.00 0.00 0.00 174.94 175.14 2ysm s SER 106 N 0.56 5.35 -0.18 3.58 0.15 -1.26 -5.09 113.70 116.81 2ysm s SER 106 Ca 0.17 -0.45 -0.21 0.00 0.70 0.00 0.00 55.95 56.16 2ysm s SER 106 Cb -0.13 -1.04 -0.03 0.00 -1.71 0.00 0.00 66.02 63.11 2ysm s SER 106 CO 0.05 -0.31 0.64 -0.83 1.20 0.00 0.00 173.24 173.99 2ysm s GLY 107 N -3.98 2.13 0.74 9.45 0.00 -1.26 -5.06 107.32 109.35 2ysm s GLY 107 Ca 0.40 -0.20 -0.12 0.00 0.00 0.00 0.00 44.72 44.80 2ysm s GLY 107 CO 0.26 1.29 1.10 2.56 0.00 0.00 0.00 173.10 178.32 2ysm s PRO 108 N 1.75 2.40 -1.42 2.90 0.04 -1.26 -3.74 135.00 135.67 2ysm s PRO 108 Ca 0.30 1.24 -0.09 0.00 0.04 0.00 0.00 61.00 62.48 2ysm s PRO 108 Cb -0.16 -1.91 0.04 0.00 0.04 0.00 0.00 34.50 32.51 2ysm s PRO 108 CO 0.11 -1.54 1.03 0.43 0.04 0.00 0.00 177.00 177.07 2ysm n SER 109 N -3.21 -4.73 -4.79 6.66 7.64 -1.26 -4.96 113.62 108.97 2ysm n SER 109 Ca 0.09 -0.68 -0.30 0.00 1.01 0.00 0.00 58.87 58.99 2ysm n SER 109 Cb 0.53 -4.43 0.09 0.00 -1.01 0.00 0.00 64.21 59.38 2ysm n SER 109 CO 0.00 0.00 0.00 -0.44 -3.01 0.00 0.00 175.04 171.59 2ysm s SER 110 N -3.53 4.59 0.00 6.43 0.01 -1.25 -5.33 113.70 114.63 2ysm s SER 110 Ca 0.50 1.47 0.00 0.00 1.31 0.00 0.00 55.95 59.23 2ysm s SER 110 Cb -0.24 -2.23 0.00 0.00 0.21 0.00 0.00 66.02 63.76 2ysm s SER 110 CO 0.78 -1.93 0.02 0.61 0.41 0.00 0.00 173.24 173.14