#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 -0.09 1.06 1.61 1.04 -1.26 -5.16 113.70 110.90 2ysm s SER 2 Ca 0.00 0.87 -0.17 0.00 0.48 0.00 0.00 55.95 57.13 2ysm s SER 2 Cb 0.00 1.19 0.23 0.00 0.10 0.00 0.00 66.02 67.54 2ysm s SER 2 CO 0.00 -0.24 1.24 -0.94 0.98 0.00 0.00 173.24 174.28 2ysm s SER 3 N 2.57 2.24 0.00 7.02 1.04 -1.26 -5.01 113.70 120.30 2ysm s SER 3 Ca -0.01 0.42 0.00 0.00 0.48 0.00 0.00 55.95 56.84 2ysm s SER 3 Cb -0.12 -0.54 0.00 0.00 0.10 0.00 0.00 66.02 65.46 2ysm s SER 3 CO -0.12 -3.29 0.00 0.61 0.98 0.00 0.00 173.24 171.42 2ysm n GLY 4 N -2.63 -0.50 3.33 7.32 0.00 -1.26 -5.18 105.19 106.28 2ysm n GLY 4 Ca 0.14 -0.08 -0.22 0.00 0.00 0.00 0.00 46.02 45.86 2ysm n GLY 4 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 2ysm s SER 5 N 0.00 2.72 -0.23 1.61 1.04 -1.26 -5.07 113.70 112.51 2ysm s SER 5 Ca 0.00 -0.84 -0.13 0.00 0.48 0.00 0.00 55.95 55.47 2ysm s SER 5 Cb 0.00 -0.16 -0.10 0.00 0.10 0.00 0.00 66.02 65.86 2ysm s SER 5 CO 0.00 -0.01 -0.31 -1.54 0.98 0.00 0.00 173.24 172.36 2ysm n SER 6 N 0.40 1.73 0.00 7.02 3.41 -1.26 -5.14 113.62 119.78 2ysm n SER 6 Ca -0.14 0.30 0.00 0.00 -0.26 0.00 0.00 58.87 58.77 2ysm n SER 6 Cb 0.56 -0.71 0.00 0.00 -0.26 0.00 0.00 64.21 63.80 2ysm n SER 6 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 2ysm n GLY 7 N 1.50 2.03 3.42 5.00 0.00 -1.26 -4.91 105.19 110.97 2ysm n GLY 7 Ca -0.44 -1.68 -0.44 0.00 0.00 0.00 0.00 46.02 43.46 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 -1.77 3.42 0.51 4.61 0.00 -1.26 -5.03 121.76 122.24 2ysm s ALA 8 Ca 0.00 -2.56 0.00 0.00 0.00 0.00 0.00 51.96 49.40 2ysm s ALA 8 Cb 0.00 -3.84 0.02 0.00 0.00 0.00 0.00 23.12 19.30 2ysm s ALA 8 CO 0.00 -2.72 0.74 0.54 0.00 0.00 0.00 175.76 174.32 2ysm s ASN 9 N 3.45 5.54 0.06 0.00 2.20 -1.26 -4.68 114.94 120.25 2ysm s ASN 9 Ca 0.24 0.16 -0.31 0.00 -0.94 0.00 0.00 52.86 52.02 2ysm s ASN 9 Cb -0.12 -1.22 -0.10 0.00 -2.00 0.00 0.00 41.25 37.82 2ysm s ASN 9 CO -0.03 -0.94 1.92 0.00 -2.94 0.00 0.00 177.10 175.11 2ysm n ALA 11 N 6.73 2.29 -0.04 0.00 0.00 -1.11 0.20 120.51 128.57 2ysm n ALA 11 Ca 0.19 -0.07 -0.06 0.00 0.00 0.00 0.00 53.44 53.50 2ysm n ALA 11 Cb 0.38 -1.19 -0.04 0.00 0.00 0.00 0.00 19.45 18.61 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 -0.75 0.50 0.00 0.00 0.31 -1.26 -4.82 118.33 112.30 2ysm n VAL 12 Ca 0.09 -0.19 0.00 0.00 -0.01 0.00 0.00 64.34 64.23 2ysm n VAL 12 Cb 0.04 -0.82 0.00 0.00 -0.91 0.00 0.00 33.84 32.15 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 -1.57 -2.11 -3.91 0.00 2.03 0.55 -4.93 116.55 106.61 2ysm n ASP 14 Ca 0.00 -0.54 -0.28 0.00 0.52 0.00 0.00 54.79 54.49 2ysm n ASP 14 Cb 0.08 -4.54 -0.17 0.00 -0.72 0.00 0.00 41.12 35.77 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 -4.17 2.62 0.00 1.67 0.01 -1.26 -4.73 113.70 107.83 2ysm s SER 15 Ca 0.01 -0.53 0.15 0.00 1.31 0.00 0.00 55.95 56.88 2ysm s SER 15 Cb -0.00 -0.92 0.70 0.00 0.21 0.00 0.00 66.02 66.00 2ysm s SER 15 CO 0.64 -0.15 1.43 -0.81 0.41 0.00 0.00 173.24 174.75 2ysm n PRO 16 N 4.88 0.13 0.00 12.44 -0.04 -1.26 -4.20 135.00 146.96 2ysm n PRO 16 Ca -0.13 0.19 0.00 0.00 -0.04 0.00 0.00 63.50 63.52 2ysm n PRO 16 Cb 0.49 -1.50 0.00 0.00 -0.04 0.00 0.00 33.50 32.45 2ysm n PRO 16 CO 0.00 0.00 0.00 0.41 -0.04 0.00 0.00 175.50 175.87 2ysm n GLY 17 N -0.03 0.00 3.69 0.55 0.00 -1.26 -4.13 105.19 104.01 2ysm n GLY 17 Ca 0.06 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 45.69 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 -1.20 6.64 -0.20 1.61 1.01 -1.26 -4.96 116.67 118.31 2ysm s ASP 18 Ca 0.00 0.76 -0.07 0.00 0.71 0.00 0.00 52.55 53.95 2ysm s ASP 18 Cb 0.00 -2.30 -0.21 0.00 1.01 0.00 0.00 42.92 41.42 2ysm s ASP 18 CO 0.00 -0.12 0.06 0.18 0.21 0.00 0.00 175.17 175.50 2ysm n LEU 19 N 4.37 2.56 0.16 1.23 7.99 -1.26 -4.30 117.00 127.75 2ysm n LEU 19 Ca -0.05 0.14 -0.14 0.00 -0.01 0.00 0.00 56.01 55.95 2ysm n LEU 19 Cb 0.51 -1.00 -0.08 0.00 -0.11 0.00 0.00 43.42 42.74 2ysm n LEU 19 CO 0.43 0.77 0.62 -0.07 -1.51 0.00 0.00 177.39 177.62 2ysm h LEU 20 N -0.23 -0.34 -0.89 2.23 4.07 -1.96 -3.17 115.31 115.04 2ysm h LEU 20 Ca -0.50 -0.14 0.16 0.00 0.08 0.00 0.00 57.88 57.47 2ysm h LEU 20 Cb 1.84 0.09 -0.15 0.00 1.08 0.00 0.00 40.66 43.51 2ysm h LEU 20 CO -0.07 -0.04 -0.29 0.47 -1.08 0.00 0.00 178.44 177.43 2ysm n ASP 21 N -5.16 -0.46 -4.73 -0.43 9.92 -1.26 -4.20 116.55 110.24 2ysm n ASP 21 Ca -0.10 1.54 -0.41 0.00 -0.53 0.00 0.00 54.79 55.29 2ysm n ASP 21 Cb 0.24 -0.40 -0.04 0.00 -0.64 0.00 0.00 41.12 40.28 2ysm n ASP 21 CO 0.00 0.00 0.00 0.00 0.13 0.00 0.00 177.20 177.33 2ysm s GLN 22 N -5.97 4.58 1.26 -1.24 -2.07 -1.20 -3.67 119.66 111.36 2ysm s GLN 22 Ca -0.13 1.62 -0.20 0.00 -1.82 0.00 0.00 55.36 54.83 2ysm s GLN 22 Cb 0.21 -3.34 0.31 0.00 -1.09 0.00 0.00 33.01 29.10 2ysm s GLN 22 CO 0.66 0.02 1.08 -0.06 -1.32 0.00 0.00 175.29 175.66 2ysm s PHE 23 N 0.29 0.13 -0.07 9.60 0.08 -0.66 -4.68 117.98 122.67 2ysm s PHE 23 Ca 0.51 0.47 0.00 0.00 0.12 0.00 0.00 56.93 58.04 2ysm s PHE 23 Cb -0.27 -3.36 0.02 0.00 -0.57 0.00 0.00 43.02 38.85 2ysm s PHE 23 CO 0.31 -4.18 -0.04 0.12 -0.10 0.00 0.00 175.22 171.33 2ysm s PHE 24 N -2.87 0.97 0.44 0.36 5.36 -1.26 -3.44 117.98 117.55 2ysm s PHE 24 Ca 0.71 -0.36 -0.12 0.00 -0.96 0.00 0.00 56.93 56.20 2ysm s PHE 24 Cb -0.10 -0.89 -0.07 0.00 -0.34 0.00 0.00 43.02 41.63 2ysm s PHE 24 CO 0.56 -0.32 0.84 0.00 -1.46 0.00 0.00 175.22 174.84 2ysm n THR 26 N -1.44 1.10 0.07 0.00 -2.24 -1.26 -3.59 114.28 106.93 2ysm n THR 26 Ca 0.04 -0.63 -0.03 0.00 -2.27 0.00 0.00 64.05 61.16 2ysm n THR 26 Cb 0.54 -0.71 -0.02 0.00 -2.10 0.00 0.00 70.33 68.05 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 0.14 4.28 2.02 -1.95 -3.39 112.91 114.01 2ysm h THR 27 Ca -0.44 -0.14 -0.27 0.00 0.77 0.00 0.00 66.41 66.33 2ysm h THR 27 Cb 1.92 0.00 0.01 0.00 -1.74 0.00 0.00 68.15 68.34 2ysm h THR 27 CO 0.00 0.00 -1.36 0.00 0.37 0.00 0.00 175.52 174.54 2ysm n GLY 29 N 1.74 1.19 3.93 0.00 0.00 -1.24 -5.06 105.19 105.75 2ysm n GLY 29 Ca -0.22 -0.25 -0.20 0.00 0.00 0.00 0.00 46.02 45.35 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 -1.77 2.94 0.12 1.61 -1.52 -1.26 -4.80 119.66 114.98 2ysm s GLN 30 Ca 0.00 -1.14 0.09 0.00 -1.95 0.00 0.00 55.36 52.36 2ysm s GLN 30 Cb 0.00 -2.66 -0.04 0.00 -0.22 0.00 0.00 33.01 30.09 2ysm s GLN 30 CO 0.00 0.07 -0.19 -1.01 -0.25 0.00 0.00 175.29 173.91 2ysm s HIS 31 N -2.24 2.50 -0.19 0.91 3.76 -1.26 -2.16 115.29 116.62 2ysm s HIS 31 Ca 0.43 -0.28 -0.07 0.00 -0.15 0.00 0.00 55.06 54.99 2ysm s HIS 31 Cb -0.08 -1.34 0.08 0.00 1.11 0.00 0.00 32.58 32.36 2ysm s HIS 31 CO 0.29 0.37 0.40 0.71 -0.85 0.00 0.00 174.74 175.66 2ysm s TYR 32 N -1.12 -0.73 0.34 1.40 1.51 -1.22 -2.77 117.35 114.76 2ysm s TYR 32 Ca 0.17 1.43 -0.29 0.00 -1.01 0.00 0.00 57.07 57.38 2ysm s TYR 32 Cb -0.10 0.26 -0.11 0.00 -0.11 0.00 0.00 41.96 41.90 2ysm s TYR 32 CO 0.09 -0.45 1.39 -1.01 -1.11 0.00 0.00 175.55 174.47 2ysm s HIS 33 N 2.45 2.85 0.56 2.71 3.76 -1.26 -1.65 115.29 124.71 2ysm s HIS 33 Ca -0.02 1.28 0.33 0.00 -0.15 0.00 0.00 55.06 56.50 2ysm s HIS 33 Cb -0.12 -3.84 1.89 0.00 1.11 0.00 0.00 32.58 31.63 2ysm s HIS 33 CO -0.12 -2.40 2.25 0.78 -0.85 0.00 0.00 174.74 174.39 2ysm h GLY 34 N 3.34 0.00 0.30 -2.22 0.00 -1.80 -2.58 103.07 100.11 2ysm h GLY 34 Ca -0.50 0.00 -0.26 0.00 0.00 0.00 0.00 47.33 46.58 2ysm h GLY 34 CO 0.66 0.00 -1.36 1.98 0.00 0.00 0.00 176.54 177.82 2ysm h MET 35 N 0.00 0.13 -0.74 4.80 1.85 -1.90 0.91 114.93 119.97 2ysm h MET 35 Ca -0.00 -0.22 0.20 0.00 -0.61 0.00 0.00 59.70 59.07 2ysm h MET 35 Cb 0.07 0.08 -0.04 0.00 0.43 0.00 0.00 31.60 32.15 2ysm h MET 35 CO 0.00 1.11 0.52 0.00 -0.40 0.00 0.00 176.91 178.14 2ysm n LEU 37 N -4.36 3.02 -2.38 0.00 4.77 -1.00 -4.95 117.00 112.10 2ysm n LEU 37 Ca 0.15 -1.11 -0.20 0.00 -0.03 0.00 0.00 56.01 54.82 2ysm n LEU 37 Cb 0.75 -0.05 0.00 0.00 -2.33 0.00 0.00 43.42 41.79 2ysm n LEU 37 CO 0.37 0.54 -0.18 0.47 -1.33 0.00 0.00 177.39 177.26 2ysm n ASP 38 N 1.32 -5.65 -4.62 -1.43 8.00 0.18 -4.98 116.55 109.37 2ysm n ASP 38 Ca 0.15 -0.09 -0.34 0.00 0.71 0.00 0.00 54.79 55.21 2ysm n ASP 38 Cb 0.58 -4.63 -0.10 0.00 -0.02 0.00 0.00 41.12 36.95 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 -3.02 4.16 -0.68 0.53 1.01 0.31 -4.98 121.20 118.54 2ysm s ILE 39 Ca 0.08 -0.29 -0.27 0.00 0.00 0.00 0.00 60.65 60.17 2ysm s ILE 39 Cb -0.03 -2.77 0.03 0.00 0.01 0.00 0.00 42.46 39.70 2ysm s ILE 39 CO 0.09 0.57 1.22 0.00 0.00 0.00 0.00 174.94 176.83 2ysm s ALA 40 N -0.50 2.86 -0.30 9.38 0.00 -1.26 -4.21 121.76 127.73 2ysm s ALA 40 Ca 0.08 -1.20 -0.28 0.00 0.00 0.00 0.00 51.96 50.57 2ysm s ALA 40 Cb -0.12 -4.15 -0.05 0.00 0.00 0.00 0.00 23.12 18.80 2ysm s ALA 40 CO 0.02 -3.02 2.17 0.54 0.00 0.00 0.00 175.76 175.47 2ysm s VAL 41 N 5.34 3.10 0.22 0.00 0.11 -1.26 -4.96 120.40 122.94 2ysm s VAL 41 Ca 0.37 0.09 0.06 0.00 -2.93 0.00 0.00 61.98 59.57 2ysm s VAL 41 Cb -0.08 -3.15 -0.04 0.00 -1.53 0.00 0.00 36.38 31.58 2ysm s VAL 41 CO 0.18 -0.11 0.18 0.42 -3.33 0.00 0.00 175.10 172.44 2ysm s THR 42 N 8.88 4.47 -1.58 5.04 -4.23 -1.26 -5.00 115.64 121.96 2ysm s THR 42 Ca 0.95 -1.28 0.15 0.00 -1.18 0.00 0.00 61.69 60.33 2ysm s THR 42 Cb -0.27 -3.37 0.30 0.00 1.34 0.00 0.00 72.50 70.50 2ysm s THR 42 CO 0.33 -0.26 1.39 -0.81 -0.54 0.00 0.00 174.62 174.72 2ysm n PRO 43 N -0.88 0.28 -0.01 3.99 -0.04 -1.26 -2.13 135.00 134.95 2ysm n PRO 43 Ca -0.08 0.11 0.08 0.00 -0.04 0.00 0.00 63.50 63.56 2ysm n PRO 43 Cb 0.57 -1.50 -0.12 0.00 -0.04 0.00 0.00 33.50 32.41 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 -1.21 0.00 -0.05 1.53 7.94 -1.26 -4.60 117.00 119.34 2ysm n LEU 44 Ca 0.08 0.00 -0.10 0.00 -1.11 0.00 0.00 56.01 54.88 2ysm n LEU 44 Cb 0.10 0.01 -0.09 0.00 0.53 0.00 0.00 43.42 43.97 2ysm n LEU 44 CO 0.11 0.01 0.29 0.50 -1.11 0.00 0.00 177.39 177.19 2ysm h LYS 45 N 0.00 -0.02 -0.76 1.96 3.64 -1.51 -3.35 116.57 116.54 2ysm h LYS 45 Ca -0.01 0.00 0.13 0.00 -1.27 0.00 0.00 60.65 59.50 2ysm h LYS 45 Cb 0.74 0.00 -0.13 0.00 -0.41 0.00 0.00 32.23 32.44 2ysm h LYS 45 CO 0.00 0.66 -0.26 0.54 -2.27 0.00 0.00 179.45 178.12 2ysm n ARG 46 N -4.68 -0.14 -1.68 1.90 1.74 -1.15 -3.68 116.66 108.96 2ysm n ARG 46 Ca -0.07 1.18 -0.46 0.00 -0.77 0.00 0.00 57.85 57.73 2ysm n ARG 46 Cb 0.33 -1.75 -0.04 0.00 -1.02 0.00 0.00 32.46 29.98 2ysm n ARG 46 CO 0.00 0.00 0.00 0.00 -1.52 0.00 0.00 177.63 176.11 2ysm n ALA 47 N -3.64 1.39 -3.86 7.54 0.00 -1.26 -2.73 120.51 117.95 2ysm n ALA 47 Ca 0.09 0.33 -0.38 0.00 0.00 0.00 0.00 53.44 53.48 2ysm n ALA 47 Cb 0.33 -2.50 0.03 0.00 0.00 0.00 0.00 19.45 17.31 2ysm n ALA 47 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 2ysm n GLY 48 N 4.13 -0.94 3.83 0.00 0.00 -1.26 -4.93 105.19 106.01 2ysm n GLY 48 Ca 0.20 0.41 -0.37 0.00 0.00 0.00 0.00 46.02 46.25 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 -3.47 3.72 -0.24 1.61 -0.00 -1.10 -5.07 118.94 114.39 2ysm s TRP 49 Ca 0.47 1.11 0.01 0.00 -0.00 0.00 0.00 56.10 57.68 2ysm s TRP 49 Cb -0.21 -2.38 0.06 0.00 -0.00 0.00 0.00 33.47 30.94 2ysm s TRP 49 CO 0.91 0.56 -0.04 -0.65 -0.00 0.00 0.00 176.95 177.73 2ysm s GLN 50 N -1.37 1.59 0.83 5.86 -0.21 -1.26 -4.09 119.66 121.00 2ysm s GLN 50 Ca 0.30 -1.02 -0.16 0.00 0.02 0.00 0.00 55.36 54.49 2ysm s GLN 50 Cb -0.17 -2.59 -0.10 0.00 1.00 0.00 0.00 33.01 31.15 2ysm s GLN 50 CO 0.17 -0.62 -0.23 0.00 -2.12 0.00 0.00 175.29 172.49 2ysm n PRO 52 N 1.08 0.04 0.05 0.00 -0.04 -1.26 -0.35 135.00 134.51 2ysm n PRO 52 Ca 0.04 0.29 0.12 0.00 -0.04 0.00 0.00 63.50 63.91 2ysm n PRO 52 Cb 0.52 -1.58 0.14 0.00 -0.04 0.00 0.00 33.50 32.55 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 -1.65 0.28 -0.01 0.54 -0.58 -1.26 -4.51 120.64 113.45 2ysm n GLU 53 Ca 0.03 0.07 -0.05 0.00 -0.42 0.00 0.00 57.16 56.79 2ysm n GLU 53 Cb 0.18 -1.66 -0.02 0.00 -0.57 0.00 0.00 31.44 29.37 2ysm n GLU 53 CO 0.00 0.00 0.00 0.00 -0.48 0.00 0.00 177.13 176.65 2ysm n LYS 55 N -3.42 0.00 -4.25 0.00 2.85 0.52 -4.96 118.16 108.90 2ysm n LYS 55 Ca -0.09 0.00 -0.18 0.00 -1.05 0.00 0.00 58.31 56.99 2ysm n LYS 55 Cb 0.42 -0.63 -0.08 0.00 -0.65 0.00 0.00 35.03 34.09 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 -0.52 0.00 0.62 0.58 -7.23 -1.26 -4.95 120.40 107.64 2ysm s VAL 56 Ca 0.40 -1.94 -0.17 0.00 -1.81 0.00 0.00 61.98 58.46 2ysm s VAL 56 Cb -0.58 -2.52 -0.02 0.00 0.56 0.00 0.00 36.38 33.82 2ysm s VAL 56 CO 0.33 0.00 1.12 0.00 -0.31 0.00 0.00 175.10 176.24 2ysm n GLN 58 N -2.01 1.89 0.05 0.00 1.13 -1.25 -3.02 117.38 114.17 2ysm n GLN 58 Ca 0.11 -0.05 -0.22 0.00 -1.94 0.00 0.00 57.00 54.90 2ysm n GLN 58 Cb 0.52 -1.13 -0.15 0.00 0.11 0.00 0.00 30.24 29.59 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 0.53 0.00 1.08 2.35 -1.89 -3.40 115.58 114.24 2ysm h ASN 59 Ca 0.00 -0.91 -0.09 0.00 -0.55 0.00 0.00 56.30 54.75 2ysm h ASN 59 Cb 0.38 -0.17 -0.02 0.00 0.05 0.00 0.00 38.32 38.55 2ysm h ASN 59 CO 0.00 1.68 -1.43 0.00 -1.65 0.00 0.00 177.43 176.04 2ysm n LYS 61 N -2.13 -2.82 -3.71 0.00 4.76 -1.17 -5.05 118.16 108.04 2ysm n LYS 61 Ca -0.09 0.54 -0.18 0.00 -2.87 0.00 0.00 58.31 55.71 2ysm n LYS 61 Cb 0.60 -4.41 -0.17 0.00 -1.84 0.00 0.00 35.03 29.20 2ysm n LYS 61 CO 0.00 0.00 0.00 1.14 -1.37 0.00 0.00 177.40 177.17 2ysm s GLN 62 N -4.38 -0.05 -0.36 1.97 -2.07 -1.26 -4.91 119.66 108.61 2ysm s GLN 62 Ca 0.14 0.33 -0.17 0.00 -1.82 0.00 0.00 55.36 53.83 2ysm s GLN 62 Cb -0.02 -0.39 -0.00 0.00 -1.09 0.00 0.00 33.01 31.51 2ysm s GLN 62 CO 0.46 -0.26 0.45 -1.54 -1.32 0.00 0.00 175.29 173.08 2ysm s SER 63 N 1.75 6.25 0.11 12.60 1.04 -1.26 -4.27 113.70 129.92 2ysm s SER 63 Ca -0.01 -0.20 0.00 0.00 0.48 0.00 0.00 55.95 56.22 2ysm s SER 63 Cb -0.12 -2.24 0.00 0.00 0.10 0.00 0.00 66.02 63.76 2ysm s SER 63 CO -0.03 -0.45 0.00 0.61 0.98 0.00 0.00 173.24 174.34 2ysm n GLY 64 N 4.91 -1.22 1.85 7.32 0.00 -1.26 -4.98 105.19 111.81 2ysm n GLY 64 Ca -0.07 0.42 -0.08 0.00 0.00 0.00 0.00 46.02 46.29 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 -2.90 1.71 -0.11 1.61 -0.58 -1.26 -4.64 120.64 114.47 2ysm n GLU 65 Ca 0.00 -0.71 -0.12 0.00 -0.42 0.00 0.00 57.16 55.92 2ysm n GLU 65 Cb 0.00 -1.71 -0.08 0.00 -0.57 0.00 0.00 31.44 29.08 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 2.41 -1.56 -0.95 1.62 3.32 -1.93 0.29 116.42 119.62 2ysm h ASP 66 Ca 0.13 0.20 0.13 0.00 0.02 0.00 0.00 57.03 57.52 2ysm h ASP 66 Cb 1.37 0.64 -0.14 0.00 0.22 0.00 0.00 39.33 41.41 2ysm h ASP 66 CO 0.16 -0.34 -0.45 0.28 -1.72 0.00 0.00 179.24 177.17 2ysm h SER 67 N -0.34 -1.65 -0.34 6.45 0.02 -2.03 0.89 113.55 116.54 2ysm h SER 67 Ca 0.06 0.31 -0.02 0.00 -0.84 0.00 0.00 61.79 61.29 2ysm h SER 67 Cb 0.50 0.81 -0.02 0.00 0.14 0.00 0.00 62.40 63.83 2ysm h SER 67 CO -0.49 -0.28 0.15 0.11 -1.14 0.00 0.00 176.83 175.18 2ysm h LYS 68 N -0.02 0.56 -6.48 3.45 1.79 -1.70 -3.42 116.57 110.75 2ysm h LYS 68 Ca 0.28 -0.07 -0.53 0.00 -2.18 0.00 0.00 60.65 58.14 2ysm h LYS 68 Cb 0.54 -0.10 0.02 0.00 -1.58 0.00 0.00 32.23 31.11 2ysm h LYS 68 CO -0.94 0.48 0.97 1.41 -1.08 0.00 0.00 179.45 180.28 2ysm s MET 69 N -5.25 4.20 0.27 3.15 1.75 0.31 -3.46 119.30 120.28 2ysm s MET 69 Ca -0.08 2.33 -0.22 0.00 -1.25 0.00 0.00 55.69 56.46 2ysm s MET 69 Cb 0.16 -3.51 -0.09 0.00 2.84 0.00 0.00 34.83 34.23 2ysm s MET 69 CO 0.75 -0.70 0.82 -0.51 -0.65 0.00 0.00 175.02 174.73 2ysm s LEU 70 N 2.34 4.33 -0.41 4.11 1.02 -0.79 -4.81 118.68 124.48 2ysm s LEU 70 Ca 0.73 1.60 -0.05 0.00 0.02 0.00 0.00 54.13 56.43 2ysm s LEU 70 Cb -0.40 -3.79 0.10 0.00 0.02 0.00 0.00 46.19 42.11 2ysm s LEU 70 CO 0.32 -0.02 0.21 -0.69 0.02 0.00 0.00 176.35 176.19 2ysm s VAL 71 N -1.58 3.52 0.13 -1.59 1.01 -1.26 -2.75 120.40 117.88 2ysm s VAL 71 Ca 0.47 -1.84 -0.35 0.00 0.00 0.00 0.00 61.98 60.25 2ysm s VAL 71 Cb -0.17 -3.31 -0.15 0.00 0.00 0.00 0.00 36.38 32.75 2ysm s VAL 71 CO 0.22 -0.61 1.50 0.00 0.00 0.00 0.00 175.10 176.21 2ysm n ASP 73 N 3.15 2.44 0.00 0.00 9.92 -0.79 -1.60 116.55 129.66 2ysm n ASP 73 Ca 0.18 -2.22 0.00 0.00 -0.53 0.00 0.00 54.79 52.21 2ysm n ASP 73 Cb 0.25 -0.55 0.00 0.00 -0.64 0.00 0.00 41.12 40.19 2ysm n ASP 73 CO 0.00 0.00 0.00 0.41 0.13 0.00 0.00 177.20 177.74 2ysm n THR 74 N 0.16 0.00 -0.02 -3.53 -1.04 -1.26 -4.91 114.28 103.67 2ysm n THR 74 Ca 0.08 0.00 -0.02 0.00 -2.04 0.00 0.00 64.05 62.06 2ysm n THR 74 Cb 0.55 -0.53 -0.02 0.00 -1.82 0.00 0.00 70.33 68.52 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 -2.53 -2.75 -0.01 0.00 -0.08 -0.63 -4.82 116.55 105.74 2ysm n ASP 76 Ca -0.06 -0.22 -0.00 0.00 -1.51 0.00 0.00 54.79 52.99 2ysm n ASP 76 Cb 0.58 -2.06 -0.00 0.00 2.34 0.00 0.00 41.12 41.97 2ysm n ASP 76 CO 0.00 0.00 0.00 0.11 0.12 0.00 0.00 177.20 177.43 2ysm h LYS 77 N -0.50 0.00 0.00 -0.67 1.79 -1.88 -3.43 116.57 111.88 2ysm h LYS 77 Ca -0.20 0.00 0.00 0.00 -2.18 0.00 0.00 60.65 58.27 2ysm h LYS 77 Cb 1.11 0.00 0.00 0.00 -1.58 0.00 0.00 32.23 31.76 2ysm h LYS 77 CO 0.16 0.00 0.00 0.41 -1.08 0.00 0.00 179.45 178.94 2ysm n GLY 78 N 1.81 2.82 3.00 3.86 0.00 -1.24 -4.10 105.19 111.33 2ysm n GLY 78 Ca -0.01 -1.03 -0.14 0.00 0.00 0.00 0.00 46.02 44.85 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 -0.38 0.33 1.61 2.02 -1.11 -3.92 117.35 115.91 2ysm s TYR 79 Ca 0.00 0.89 -0.29 0.00 -0.37 0.00 0.00 57.07 57.30 2ysm s TYR 79 Cb 0.00 -0.04 -0.11 0.00 -0.40 0.00 0.00 41.96 41.40 2ysm s TYR 79 CO 0.00 -0.32 1.52 0.72 -1.57 0.00 0.00 175.55 175.90 2ysm n HIS 80 N 5.11 2.86 -0.28 2.71 8.25 -1.26 -1.89 115.22 130.72 2ysm n HIS 80 Ca -0.10 0.37 0.07 0.00 -0.26 0.00 0.00 57.72 57.80 2ysm n HIS 80 Cb 0.50 -2.55 0.19 0.00 1.12 0.00 0.00 29.99 29.25 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 3.10 0.27 0.00 1.59 1.35 -1.86 1.07 112.91 118.42 2ysm h THR 81 Ca -0.49 -0.03 -0.04 0.00 -0.55 0.00 0.00 66.41 65.30 2ysm h THR 81 Cb 1.24 0.17 -0.01 0.00 -1.73 0.00 0.00 68.15 67.82 2ysm h THR 81 CO 0.71 0.02 -0.20 2.19 -0.25 0.00 0.00 175.52 177.98 2ysm h PHE 82 N 0.09 0.00 -0.11 4.73 -5.15 -1.90 -2.14 116.94 112.46 2ysm h PHE 82 Ca 0.46 0.00 -0.02 0.00 -0.20 0.00 0.00 57.97 58.21 2ysm h PHE 82 Cb 0.84 0.00 -0.01 0.00 0.22 0.00 0.00 35.95 37.00 2ysm h PHE 82 CO -0.44 0.20 0.02 0.00 -2.00 0.00 0.00 178.31 176.10 2ysm s LEU 84 N -0.50 2.38 -0.27 0.00 1.43 -1.03 -4.73 118.68 115.96 2ysm s LEU 84 Ca 0.10 -0.43 0.02 0.00 -1.03 0.00 0.00 54.13 52.79 2ysm s LEU 84 Cb 0.07 -1.43 0.07 0.00 0.03 0.00 0.00 46.19 44.94 2ysm s LEU 84 CO 0.03 0.29 -0.02 0.00 0.23 0.00 0.00 176.35 176.88 2ysm s GLN 85 N -1.02 1.58 1.04 1.70 1.03 -1.26 -0.02 119.66 122.71 2ysm s GLN 85 Ca 0.12 -1.26 -0.13 0.00 0.04 0.00 0.00 55.36 54.13 2ysm s GLN 85 Cb -0.10 -2.70 0.21 0.00 0.03 0.00 0.00 33.01 30.44 2ysm s GLN 85 CO 0.02 -0.72 1.10 -1.25 -2.54 0.00 0.00 175.29 171.90 2ysm s PRO 86 N 1.26 0.10 0.46 9.60 0.04 -1.26 -5.14 135.00 140.07 2ysm s PRO 86 Ca -0.01 0.40 -0.16 0.00 0.04 0.00 0.00 61.00 61.28 2ysm s PRO 86 Cb -0.19 -1.71 -0.08 0.00 0.04 0.00 0.00 34.50 32.56 2ysm s PRO 86 CO -0.09 -2.93 0.91 0.08 0.04 0.00 0.00 177.00 175.02 2ysm s VAL 87 N -2.97 4.58 -0.52 -0.36 1.01 0.97 -5.02 120.40 118.09 2ysm s VAL 87 Ca 0.66 1.11 -0.14 0.00 0.00 0.00 0.00 61.98 63.61 2ysm s VAL 87 Cb -0.17 -3.69 0.12 0.00 0.00 0.00 0.00 36.38 32.63 2ysm s VAL 87 CO 0.57 -0.55 0.45 -0.04 0.00 0.00 0.00 175.10 175.54 2ysm s MET 88 N -3.78 2.87 0.29 2.72 -1.94 -0.83 -4.94 119.30 113.68 2ysm s MET 88 Ca 0.57 -1.68 0.03 0.00 -1.71 0.00 0.00 55.69 52.90 2ysm s MET 88 Cb -0.10 -4.19 0.72 0.00 2.01 0.00 0.00 34.83 33.27 2ysm s MET 88 CO 0.27 -1.26 1.68 0.87 -0.01 0.00 0.00 175.02 176.57 2ysm h LYS 89 N 8.77 0.33 -5.00 2.03 1.79 -1.96 -3.43 116.57 119.10 2ysm h LYS 89 Ca -0.28 -0.02 -0.53 0.00 -2.18 0.00 0.00 60.65 57.65 2ysm h LYS 89 Cb 1.09 -0.07 -0.13 0.00 -1.58 0.00 0.00 32.23 31.54 2ysm h LYS 89 CO 0.98 0.22 -0.52 -1.54 -1.08 0.00 0.00 179.45 177.51 2ysm s SER 90 N -5.15 2.46 -0.11 0.86 1.04 -1.26 -5.08 113.70 106.46 2ysm s SER 90 Ca -0.12 -1.67 -0.02 0.00 0.48 0.00 0.00 55.95 54.62 2ysm s SER 90 Cb 0.25 0.50 -0.03 0.00 0.10 0.00 0.00 66.02 66.84 2ysm s SER 90 CO 0.78 -0.95 -0.03 -0.69 0.98 0.00 0.00 173.24 173.33 2ysm s VAL 91 N -3.30 4.00 1.05 5.02 1.01 -1.26 -5.07 120.40 121.84 2ysm s VAL 91 Ca 0.28 -0.35 -0.14 0.00 0.00 0.00 0.00 61.98 61.77 2ysm s VAL 91 Cb 0.03 -2.70 0.21 0.00 0.00 0.00 0.00 36.38 33.93 2ysm s VAL 91 CO 0.17 0.56 1.10 -2.16 0.00 0.00 0.00 175.10 174.77 2ysm s PRO 92 N -0.39 0.03 0.00 2.72 0.04 -1.26 -5.01 135.00 131.13 2ysm s PRO 92 Ca 0.06 0.39 0.00 0.00 0.04 0.00 0.00 61.00 61.49 2ysm s PRO 92 Cb -0.12 -1.70 0.00 0.00 0.04 0.00 0.00 34.50 32.72 2ysm s PRO 92 CO 0.02 -2.97 0.00 -2.37 0.04 0.00 0.00 177.00 171.72 2ysm n THR 93 N -4.32 0.00 -1.92 1.26 5.66 -1.26 -4.77 114.28 108.94 2ysm n THR 93 Ca 0.06 -0.11 -0.37 0.00 -3.05 0.00 0.00 64.05 60.58 2ysm n THR 93 Cb 0.58 0.58 0.01 0.00 -1.55 0.00 0.00 70.33 69.95 2ysm n THR 93 CO 0.00 0.00 0.00 0.59 -3.05 0.00 0.00 175.07 172.61 2ysm n ASN 94 N -1.17 7.28 -1.47 1.09 3.02 -1.26 -4.97 115.26 117.79 2ysm n ASN 94 Ca 0.00 -3.63 0.00 0.00 -0.03 0.00 0.00 54.58 50.92 2ysm n ASN 94 Cb 0.00 -1.14 0.00 0.00 -0.61 0.00 0.00 39.78 38.03 2ysm n ASN 94 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 2ysm n GLY 95 N -0.01 -4.60 3.67 7.41 0.00 -1.26 -4.99 105.19 105.41 2ysm n GLY 95 Ca 0.52 -0.64 -0.32 0.00 0.00 0.00 0.00 46.02 45.58 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 -2.56 3.04 -0.11 1.61 -0.00 -1.26 -5.00 118.94 114.67 2ysm s TRP 96 Ca 0.00 0.05 0.01 0.00 -0.00 0.00 0.00 56.10 56.17 2ysm s TRP 96 Cb 0.00 -1.65 0.02 0.00 -0.00 0.00 0.00 33.47 31.84 2ysm s TRP 96 CO 0.00 0.45 -0.13 0.21 -0.00 0.00 0.00 176.95 177.48 2ysm s LYS 97 N -1.59 1.99 0.92 5.86 2.20 -1.26 -1.89 119.74 125.97 2ysm s LYS 97 Ca 0.20 -0.47 -0.12 0.00 -0.36 0.00 0.00 55.97 55.22 2ysm s LYS 97 Cb -0.11 -1.76 0.14 0.00 -1.51 0.00 0.00 37.83 34.59 2ysm s LYS 97 CO 0.10 -0.11 1.10 0.00 -0.36 0.00 0.00 175.35 176.09 2ysm h LYS 99 N -1.58 -0.75 -0.96 0.00 3.64 -2.00 -0.73 116.57 114.18 2ysm h LYS 99 Ca -0.51 0.05 0.28 0.00 -1.27 0.00 0.00 60.65 59.20 2ysm h LYS 99 Cb 1.31 0.17 -0.04 0.00 -0.41 0.00 0.00 32.23 33.26 2ysm h LYS 99 CO 0.58 -0.47 1.17 -0.91 -2.27 0.00 0.00 179.45 177.55 2ysm h ASN 100 N -1.16 0.00 0.20 4.20 2.35 -1.99 2.07 115.58 121.24 2ysm h ASN 100 Ca -0.08 0.00 -0.34 0.00 -0.55 0.00 0.00 56.30 55.33 2ysm h ASN 100 Cb 0.63 0.00 -0.06 0.00 0.05 0.00 0.00 38.32 38.94 2ysm h ASN 100 CO 0.13 0.00 -2.11 0.00 -1.65 0.00 0.00 177.43 173.80 2ysm h ARG 102 N 0.00 0.30 -6.12 0.00 0.11 0.49 -3.42 114.38 105.74 2ysm h ARG 102 Ca -0.44 -0.02 -0.74 0.00 0.10 0.00 0.00 59.98 58.87 2ysm h ARG 102 Cb 2.13 -0.07 0.05 0.00 1.11 0.00 0.00 29.97 33.19 2ysm h ARG 102 CO 0.04 0.20 0.26 -0.89 0.10 0.00 0.00 179.97 179.68 2ysm n ILE 103 N -4.47 0.01 -1.49 0.08 -0.00 -1.09 -4.92 119.36 107.48 2ysm n ILE 103 Ca 0.20 -0.00 -0.30 0.00 -0.00 0.00 0.00 62.75 62.65 2ysm n ILE 103 Cb 0.80 -0.38 0.11 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 -3.13 0.74 -0.73 0.00 2.07 -1.26 -5.07 121.20 113.83 2ysm s ILE 105 Ca 0.62 -0.81 -0.30 0.00 -1.41 0.00 0.00 60.65 58.75 2ysm s ILE 105 Cb -0.15 -0.70 -0.15 0.00 0.13 0.00 0.00 42.46 41.58 2ysm s ILE 105 CO 0.55 -0.08 2.52 -0.24 -1.91 0.00 0.00 174.94 175.78 2ysm n SER 106 N 2.06 1.24 -3.63 4.50 2.88 -1.26 -4.86 113.62 114.55 2ysm n SER 106 Ca -0.18 -0.03 -0.15 0.00 -1.33 0.00 0.00 58.87 57.17 2ysm n SER 106 Cb 0.56 -1.20 -0.07 0.00 -0.75 0.00 0.00 64.21 62.74 2ysm n SER 106 CO 0.00 0.00 0.00 -0.83 -1.23 0.00 0.00 175.04 172.98 2ysm s GLY 107 N 9.91 -0.41 0.80 0.46 0.00 -1.26 -5.17 107.32 111.65 2ysm s GLY 107 Ca 1.19 1.07 -0.13 0.00 0.00 0.00 0.00 44.72 46.85 2ysm s GLY 107 CO 0.41 0.79 0.71 -1.55 0.00 0.00 0.00 173.10 173.47 2ysm n PRO 108 N 1.47 -2.41 -0.06 2.90 -0.04 -1.26 -5.04 135.00 130.55 2ysm n PRO 108 Ca -0.19 -1.14 -0.11 0.00 -0.04 0.00 0.00 63.50 62.02 2ysm n PRO 108 Cb 0.56 -1.07 -0.05 0.00 -0.04 0.00 0.00 33.50 32.91 2ysm n PRO 108 CO 0.00 0.00 0.00 0.45 -0.04 0.00 0.00 175.50 175.91 2ysm n SER 109 N -4.22 1.96 -0.03 3.54 2.88 -1.26 -4.92 113.62 111.56 2ysm n SER 109 Ca 0.10 0.05 -0.05 0.00 -1.33 0.00 0.00 58.87 57.64 2ysm n SER 109 Cb 0.38 -0.28 -0.02 0.00 -0.75 0.00 0.00 64.21 63.54 2ysm n SER 109 CO 0.00 0.00 0.00 -1.20 -1.23 0.00 0.00 175.04 172.61 2ysm n SER 110 N -3.22 1.54 0.00 -3.46 7.64 -1.26 -5.37 113.62 109.50 2ysm n SER 110 Ca -0.23 0.24 0.00 0.00 1.01 0.00 0.00 58.87 59.89 2ysm n SER 110 Cb 0.70 -0.56 0.00 0.00 -1.01 0.00 0.00 64.21 63.34 2ysm n SER 110 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64