#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 3.80 -0.24 1.61 1.04 -1.26 -5.08 113.70 113.57 2ysm s SER 2 Ca 0.00 -3.36 -0.08 0.00 0.48 0.00 0.00 55.95 52.99 2ysm s SER 2 Cb 0.00 -1.26 -0.04 0.00 0.10 0.00 0.00 66.02 64.83 2ysm s SER 2 CO 0.00 -0.15 0.09 -0.44 0.98 0.00 0.00 173.24 173.72 2ysm s SER 3 N -0.66 5.39 0.00 7.02 0.01 -1.26 -4.69 113.70 119.52 2ysm s SER 3 Ca 0.24 -0.12 0.00 0.00 1.31 0.00 0.00 55.95 57.39 2ysm s SER 3 Cb -0.09 -1.97 0.00 0.00 0.21 0.00 0.00 66.02 64.17 2ysm s SER 3 CO -0.12 -0.00 0.00 0.61 0.41 0.00 0.00 173.24 174.14 2ysm n GLY 4 N 4.71 0.91 3.66 3.44 0.00 -1.26 -5.10 105.19 111.55 2ysm n GLY 4 Ca -0.16 -0.03 -0.37 0.00 0.00 0.00 0.00 46.02 45.47 2ysm n GLY 4 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 2ysm s SER 5 N 0.00 6.15 0.69 1.61 0.01 -1.26 -5.06 113.70 115.84 2ysm s SER 5 Ca 0.00 0.16 -0.17 0.00 1.31 0.00 0.00 55.95 57.24 2ysm s SER 5 Cb 0.00 -2.12 -0.12 0.00 0.21 0.00 0.00 66.02 64.00 2ysm s SER 5 CO 0.00 0.06 -0.09 -1.20 0.41 0.00 0.00 173.24 172.41 2ysm n SER 6 N 4.27 -3.50 -4.42 2.44 7.64 -1.26 -4.73 113.62 114.06 2ysm n SER 6 Ca -0.14 0.52 -0.38 0.00 1.01 0.00 0.00 58.87 59.88 2ysm n SER 6 Cb 0.52 -0.94 -0.02 0.00 -1.01 0.00 0.00 64.21 62.76 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 2.49 2.25 1.27 0.23 0.00 -1.26 -4.73 105.19 105.44 2ysm n GLY 7 Ca 0.06 -1.21 -0.05 0.00 0.00 0.00 0.00 46.02 44.82 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 10.08 3.32 -2.51 4.61 0.00 -1.26 -4.86 120.51 129.88 2ysm n ALA 8 Ca 0.48 -0.81 -0.22 0.00 0.00 0.00 0.00 53.44 52.89 2ysm n ALA 8 Cb 0.45 -1.11 -0.00 0.00 0.00 0.00 0.00 19.45 18.78 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 0.17 6.04 -0.04 0.00 0.01 -1.26 -4.78 114.94 115.09 2ysm s ASN 9 Ca 0.17 0.22 -0.33 0.00 -0.71 0.00 0.00 52.86 52.21 2ysm s ASN 9 Cb 0.14 -1.65 -0.11 0.00 0.41 0.00 0.00 41.25 40.05 2ysm s ASN 9 CO 0.04 -0.47 1.92 0.00 -1.51 0.00 0.00 177.10 177.08 2ysm n ALA 11 N 6.95 2.16 -0.03 0.00 0.00 -0.94 0.13 120.51 128.77 2ysm n ALA 11 Ca 0.22 -0.04 -0.08 0.00 0.00 0.00 0.00 53.44 53.54 2ysm n ALA 11 Cb 0.34 -1.12 -0.03 0.00 0.00 0.00 0.00 19.45 18.64 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 -0.68 0.76 0.88 0.00 0.31 -1.26 -4.76 118.33 113.58 2ysm n VAL 12 Ca 0.05 0.01 0.10 0.00 -0.01 0.00 0.00 64.34 64.50 2ysm n VAL 12 Cb 0.02 -1.69 -0.01 0.00 -0.91 0.00 0.00 33.84 31.25 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 -0.15 -3.49 -3.93 0.00 5.68 0.34 -4.95 116.55 110.05 2ysm n ASP 14 Ca 0.08 -0.91 -0.13 0.00 -0.50 0.00 0.00 54.79 53.33 2ysm n ASP 14 Cb 0.41 -3.27 -0.13 0.00 -1.14 0.00 0.00 41.12 36.98 2ysm n ASP 14 CO 0.00 0.00 0.00 -0.44 -1.33 0.00 0.00 177.20 175.43 2ysm s SER 15 N -3.45 0.30 -0.02 -1.12 0.01 -1.25 -4.79 113.70 103.37 2ysm s SER 15 Ca 0.61 -0.15 -0.25 0.00 1.31 0.00 0.00 55.95 57.47 2ysm s SER 15 Cb -0.32 -0.00 -0.19 0.00 0.21 0.00 0.00 66.02 65.72 2ysm s SER 15 CO 0.88 -0.04 1.19 1.55 0.41 0.00 0.00 173.24 177.23 2ysm h PRO 16 N 5.75 -0.11 0.00 12.44 0.13 -1.93 -3.21 132.00 145.07 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 32.36 2ysm h PRO 16 CO 0.48 0.34 0.00 0.41 -0.23 0.00 0.00 178.00 179.00 2ysm n GLY 17 N 0.19 1.59 3.63 1.56 0.00 -1.26 -3.86 105.19 107.04 2ysm n GLY 17 Ca -0.09 -0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.51 2ysm n GLY 17 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 2ysm s ASP 18 N -2.60 6.83 -0.11 1.61 1.01 -1.26 -4.90 116.67 117.26 2ysm s ASP 18 Ca 0.00 0.92 0.16 0.00 0.71 0.00 0.00 52.55 54.34 2ysm s ASP 18 Cb 0.00 -2.48 -0.24 0.00 1.01 0.00 0.00 42.92 41.21 2ysm s ASP 18 CO 0.00 -0.74 0.38 0.18 0.21 0.00 0.00 175.17 175.20 2ysm n LEU 19 N 6.52 0.42 -0.14 1.23 4.77 -1.25 -4.18 117.00 124.37 2ysm n LEU 19 Ca 0.08 0.20 0.28 0.00 -0.03 0.00 0.00 56.01 56.54 2ysm n LEU 19 Cb 0.47 0.32 0.72 0.00 -2.33 0.00 0.00 43.42 42.61 2ysm n LEU 19 CO 0.54 0.41 1.25 -0.07 -1.33 0.00 0.00 177.39 178.20 2ysm h LEU 20 N 0.00 0.00 -3.72 2.23 -0.00 -1.94 0.38 115.31 112.27 2ysm h LEU 20 Ca -0.40 0.00 -0.46 0.00 -0.00 0.00 0.00 57.88 57.02 2ysm h LEU 20 Cb 2.07 0.00 -0.27 0.00 -0.00 0.00 0.00 40.66 42.46 2ysm h LEU 20 CO 0.05 0.00 0.05 0.47 -0.00 0.00 0.00 178.44 179.01 2ysm n ASP 21 N -4.10 4.81 -4.31 -0.43 8.00 -1.26 -4.96 116.55 114.30 2ysm n ASP 21 Ca 0.17 -3.77 -0.34 0.00 0.71 0.00 0.00 54.79 51.57 2ysm n ASP 21 Cb 0.95 -0.67 -0.14 0.00 -0.02 0.00 0.00 41.12 41.24 2ysm n ASP 21 CO 0.00 0.00 0.00 -1.10 -0.39 0.00 0.00 177.20 175.71 2ysm s GLN 22 N -3.53 3.33 0.82 -1.24 -0.21 0.13 -3.40 119.66 115.57 2ysm s GLN 22 Ca 0.54 -0.67 -0.11 0.00 0.02 0.00 0.00 55.36 55.13 2ysm s GLN 22 Cb 0.45 -2.82 0.08 0.00 1.00 0.00 0.00 33.01 31.72 2ysm s GLN 22 CO 0.02 -0.05 1.09 -0.06 -2.12 0.00 0.00 175.29 174.16 2ysm s PHE 23 N 1.05 2.59 -0.12 0.91 0.08 -0.31 -4.79 117.98 117.38 2ysm s PHE 23 Ca -0.00 1.35 -0.02 0.00 0.12 0.00 0.00 56.93 58.37 2ysm s PHE 23 Cb -0.15 -3.09 0.04 0.00 -0.57 0.00 0.00 43.02 39.26 2ysm s PHE 23 CO -0.02 -1.96 0.03 0.12 -0.10 0.00 0.00 175.22 173.30 2ysm s PHE 24 N -2.98 0.61 0.61 0.36 5.36 -1.26 -3.25 117.98 117.43 2ysm s PHE 24 Ca 0.62 -0.32 -0.16 0.00 -0.96 0.00 0.00 56.93 56.11 2ysm s PHE 24 Cb -0.17 -0.80 -0.03 0.00 -0.34 0.00 0.00 43.02 41.69 2ysm s PHE 24 CO 0.56 -0.41 1.09 0.00 -1.46 0.00 0.00 175.22 175.00 2ysm n THR 26 N -2.03 1.07 0.02 0.00 -2.24 -1.13 -3.22 114.28 106.74 2ysm n THR 26 Ca 0.10 -0.75 -0.01 0.00 -2.27 0.00 0.00 64.05 61.11 2ysm n THR 26 Cb 0.52 -0.43 -0.01 0.00 -2.10 0.00 0.00 70.33 68.32 2ysm n THR 26 CO 0.00 0.00 0.00 0.74 -0.57 0.00 0.00 175.07 175.24 2ysm h THR 27 N 0.00 0.00 0.08 4.28 2.02 -1.94 -3.41 112.91 113.94 2ysm h THR 27 Ca -0.36 -0.40 -0.26 0.00 0.77 0.00 0.00 66.41 66.16 2ysm h THR 27 Cb 1.87 0.00 -0.01 0.00 -1.74 0.00 0.00 68.15 68.27 2ysm h THR 27 CO 0.03 0.00 -1.36 0.00 0.37 0.00 0.00 175.52 174.56 2ysm n GLY 29 N 1.69 0.96 4.00 0.00 0.00 -1.20 -5.02 105.19 105.62 2ysm n GLY 29 Ca -0.26 -0.18 -0.21 0.00 0.00 0.00 0.00 46.02 45.36 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 -1.32 2.21 0.09 1.61 -1.52 -1.26 -4.74 119.66 114.73 2ysm s GLN 30 Ca 0.00 -1.21 0.08 0.00 -1.95 0.00 0.00 55.36 52.27 2ysm s GLN 30 Cb 0.00 -2.52 -0.03 0.00 -0.22 0.00 0.00 33.01 30.24 2ysm s GLN 30 CO 0.00 -0.95 -0.19 -1.01 -0.25 0.00 0.00 175.29 172.88 2ysm s HIS 31 N -2.81 1.66 -0.05 0.91 3.76 -1.26 -2.36 115.29 115.14 2ysm s HIS 31 Ca 0.61 -0.43 -0.22 0.00 -0.15 0.00 0.00 55.06 54.88 2ysm s HIS 31 Cb -0.07 -0.92 0.05 0.00 1.11 0.00 0.00 32.58 32.75 2ysm s HIS 31 CO 0.40 0.17 0.48 0.71 -0.85 0.00 0.00 174.74 175.65 2ysm s TYR 32 N -1.18 -0.42 0.35 1.40 1.51 -1.20 -2.22 117.35 115.59 2ysm s TYR 32 Ca 0.05 0.74 -0.07 0.00 -1.01 0.00 0.00 57.07 56.78 2ysm s TYR 32 Cb -0.10 0.24 -0.05 0.00 -0.11 0.00 0.00 41.96 41.93 2ysm s TYR 32 CO 0.04 -0.47 0.66 -1.01 -1.11 0.00 0.00 175.55 173.66 2ysm s HIS 33 N -1.11 3.48 0.38 2.71 3.76 -1.26 -1.16 115.29 122.09 2ysm s HIS 33 Ca -0.11 0.80 0.15 0.00 -0.15 0.00 0.00 55.06 55.75 2ysm s HIS 33 Cb -0.03 -2.24 0.86 0.00 1.11 0.00 0.00 32.58 32.28 2ysm s HIS 33 CO 0.06 0.02 1.88 0.78 -0.85 0.00 0.00 174.74 176.64 2ysm h GLY 34 N 1.35 0.00 0.51 -2.22 0.00 -1.83 -2.85 103.07 98.05 2ysm h GLY 34 Ca -0.47 0.00 -0.27 0.00 0.00 0.00 0.00 47.33 46.58 2ysm h GLY 34 CO 0.65 0.00 -1.40 1.98 0.00 0.00 0.00 176.54 177.77 2ysm h MET 35 N 0.00 0.22 -0.90 4.80 1.85 -1.91 0.95 114.93 119.95 2ysm h MET 35 Ca -0.00 -0.38 0.20 0.00 -0.61 0.00 0.00 59.70 58.90 2ysm h MET 35 Cb 0.58 0.14 -0.07 0.00 0.43 0.00 0.00 31.60 32.68 2ysm h MET 35 CO 0.04 1.18 0.59 0.00 -0.40 0.00 0.00 176.91 178.33 2ysm n LEU 37 N -4.52 2.06 -3.77 0.00 4.77 -1.08 -4.99 117.00 109.48 2ysm n LEU 37 Ca 0.19 -1.11 -0.25 0.00 -0.03 0.00 0.00 56.01 54.81 2ysm n LEU 37 Cb 0.68 -0.03 0.04 0.00 -2.33 0.00 0.00 43.42 41.78 2ysm n LEU 37 CO 0.30 0.41 0.06 0.47 -1.33 0.00 0.00 177.39 177.30 2ysm n ASP 38 N 0.63 -3.45 -4.82 -1.43 8.00 0.05 -4.97 116.55 110.55 2ysm n ASP 38 Ca 0.07 -0.76 -0.36 0.00 0.71 0.00 0.00 54.79 54.46 2ysm n ASP 38 Cb 0.30 -4.16 -0.07 0.00 -0.02 0.00 0.00 41.12 37.18 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 -3.45 5.12 -0.66 0.53 1.01 0.31 -4.97 121.20 119.09 2ysm s ILE 39 Ca 0.37 -0.01 -0.27 0.00 0.00 0.00 0.00 60.65 60.73 2ysm s ILE 39 Cb -0.18 -3.24 0.02 0.00 0.01 0.00 0.00 42.46 39.07 2ysm s ILE 39 CO 0.81 0.55 1.38 0.00 0.00 0.00 0.00 174.94 177.68 2ysm s ALA 40 N -1.05 2.71 0.08 9.38 0.00 -1.26 -4.64 121.76 126.98 2ysm s ALA 40 Ca 0.17 -1.05 -0.31 0.00 0.00 0.00 0.00 51.96 50.77 2ysm s ALA 40 Cb -0.12 -4.21 -0.10 0.00 0.00 0.00 0.00 23.12 18.70 2ysm s ALA 40 CO 0.06 -3.22 1.91 0.28 0.00 0.00 0.00 175.76 174.79 2ysm n VAL 41 N 6.63 0.57 -3.94 0.00 0.31 -1.26 -4.98 118.33 115.67 2ysm n VAL 41 Ca 0.08 -0.10 -0.10 0.00 -0.01 0.00 0.00 64.34 64.21 2ysm n VAL 41 Cb 0.49 -2.22 -0.11 0.00 -0.91 0.00 0.00 33.84 31.09 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 3.62 0.08 -2.00 2.52 -1.32 -1.26 -5.02 115.64 112.27 2ysm s THR 42 Ca 0.86 -0.69 0.12 0.00 -1.21 0.00 0.00 61.69 60.77 2ysm s THR 42 Cb -0.46 -0.24 0.33 0.00 -1.51 0.00 0.00 72.50 70.62 2ysm s THR 42 CO 0.40 -0.38 1.13 -0.81 -2.21 0.00 0.00 174.62 172.75 2ysm n PRO 43 N 1.89 0.49 -0.09 7.08 -0.04 -1.26 -2.26 135.00 140.81 2ysm n PRO 43 Ca -0.21 0.00 -0.10 0.00 -0.04 0.00 0.00 63.50 63.14 2ysm n PRO 43 Cb 0.56 -1.37 -0.13 0.00 -0.04 0.00 0.00 33.50 32.52 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 -0.87 0.79 -0.08 1.53 7.94 -1.26 -4.63 117.00 120.42 2ysm n LEU 44 Ca 0.09 -0.03 -0.17 0.00 -1.11 0.00 0.00 56.01 54.79 2ysm n LEU 44 Cb 0.04 0.11 -0.13 0.00 0.53 0.00 0.00 43.42 43.97 2ysm n LEU 44 CO 0.07 0.54 0.07 0.50 -1.11 0.00 0.00 177.39 177.45 2ysm h LYS 45 N 0.00 0.01 -0.81 1.96 3.64 -1.64 -3.34 116.57 116.40 2ysm h LYS 45 Ca -0.47 -0.02 0.30 0.00 -1.27 0.00 0.00 60.65 59.18 2ysm h LYS 45 Cb 1.98 0.01 -0.10 0.00 -0.41 0.00 0.00 32.23 33.70 2ysm h LYS 45 CO -0.00 1.01 0.50 0.54 -2.27 0.00 0.00 179.45 179.23 2ysm n ARG 46 N -4.52 -0.03 -2.40 1.90 1.74 -0.96 -3.54 116.66 108.85 2ysm n ARG 46 Ca -0.18 0.85 -0.43 0.00 -0.77 0.00 0.00 57.85 57.33 2ysm n ARG 46 Cb 0.57 -1.62 -0.02 0.00 -1.02 0.00 0.00 32.46 30.36 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 -4.79 3.58 -1.16 7.54 0.00 -1.25 -3.87 121.76 121.81 2ysm s ALA 47 Ca -0.05 0.59 -0.27 0.00 0.00 0.00 0.00 51.96 52.23 2ysm s ALA 47 Cb 0.21 -3.58 0.02 0.00 0.00 0.00 0.00 23.12 19.77 2ysm s ALA 47 CO 0.53 -0.99 0.73 0.41 0.00 0.00 0.00 175.76 176.44 2ysm n GLY 48 N 3.54 -0.94 3.80 0.00 0.00 -1.26 -4.91 105.19 105.42 2ysm n GLY 48 Ca 0.13 0.41 -0.35 0.00 0.00 0.00 0.00 46.02 46.21 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 3.38 -0.25 1.61 -0.00 -1.23 -4.92 118.94 114.06 2ysm s TRP 49 Ca 0.46 1.66 0.01 0.00 -0.00 0.00 0.00 56.10 58.23 2ysm s TRP 49 Cb -0.21 -2.92 0.05 0.00 -0.00 0.00 0.00 33.47 30.38 2ysm s TRP 49 CO 0.92 -0.15 -0.11 -0.65 -0.00 0.00 0.00 176.95 176.96 2ysm s GLN 50 N -2.79 2.49 0.79 5.86 -0.21 -1.26 -2.85 119.66 121.68 2ysm s GLN 50 Ca 0.59 -1.19 -0.13 0.00 0.02 0.00 0.00 55.36 54.65 2ysm s GLN 50 Cb -0.14 -2.88 0.07 0.00 1.00 0.00 0.00 33.01 31.06 2ysm s GLN 50 CO 0.18 -0.48 1.16 0.00 -2.12 0.00 0.00 175.29 174.03 2ysm n PRO 52 N -3.29 0.40 0.01 0.00 -0.04 -1.26 0.17 135.00 130.99 2ysm n PRO 52 Ca 0.12 0.05 0.11 0.00 -0.04 0.00 0.00 63.50 63.74 2ysm n PRO 52 Cb 0.51 -1.50 -0.12 0.00 -0.04 0.00 0.00 33.50 32.35 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 -1.09 0.52 -0.01 0.54 1.02 -1.26 -4.49 120.64 115.86 2ysm n GLU 53 Ca 0.10 -0.11 -0.00 0.00 -0.02 0.00 0.00 57.16 57.13 2ysm n GLU 53 Cb 0.07 -1.56 -0.01 0.00 -0.02 0.00 0.00 31.44 29.92 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 -1.97 0.77 -3.54 0.00 2.85 0.13 -4.98 118.16 111.42 2ysm n LYS 55 Ca -0.02 0.30 -0.10 0.00 -1.05 0.00 0.00 58.31 57.44 2ysm n LYS 55 Cb 0.46 -2.07 -0.02 0.00 -0.65 0.00 0.00 35.03 32.75 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 -1.57 0.00 -0.17 0.58 -7.23 -1.26 -4.84 120.40 105.91 2ysm s VAL 56 Ca 0.75 -0.25 -0.29 0.00 -1.81 0.00 0.00 61.98 60.38 2ysm s VAL 56 Cb -0.42 -1.26 -0.04 0.00 0.56 0.00 0.00 36.38 35.22 2ysm s VAL 56 CO 0.48 0.00 1.73 0.00 -0.31 0.00 0.00 175.10 177.00 2ysm h GLN 58 N 11.08 0.00 0.26 0.00 1.08 -1.89 0.93 115.11 126.57 2ysm h GLN 58 Ca -0.37 0.00 -0.01 0.00 -1.45 0.00 0.00 58.65 56.82 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 0.98 0.00 -0.12 -0.91 -0.95 0.00 0.00 178.83 177.83 2ysm h ASN 59 N 0.00 -0.29 0.00 1.46 4.21 -1.89 -3.33 115.58 115.74 2ysm h ASN 59 Ca 0.00 -0.22 0.00 0.00 1.21 0.00 0.00 56.30 57.29 2ysm h ASN 59 Cb 0.68 0.08 0.00 0.00 -1.12 0.00 0.00 38.32 37.96 2ysm h ASN 59 CO 0.00 0.10 -1.06 0.00 -1.29 0.00 0.00 177.43 175.18 2ysm n LYS 61 N -1.57 -5.01 -3.82 0.00 4.76 0.32 -5.04 118.16 107.80 2ysm n LYS 61 Ca 0.02 0.62 -0.13 0.00 -2.87 0.00 0.00 58.31 55.95 2ysm n LYS 61 Cb 0.32 -4.97 -0.14 0.00 -1.84 0.00 0.00 35.03 28.40 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 -5.15 0.03 0.00 1.97 -1.52 -1.05 -4.94 119.66 109.00 2ysm s GLN 62 Ca 0.07 0.13 0.13 0.00 -1.95 0.00 0.00 55.36 53.73 2ysm s GLN 62 Cb -0.03 -0.07 0.61 0.00 -0.22 0.00 0.00 33.01 33.29 2ysm s GLN 62 CO 0.53 -0.07 1.41 -1.13 -0.25 0.00 0.00 175.29 175.79 2ysm n SER 63 N 3.50 0.59 -3.19 5.90 3.41 -1.26 -2.49 113.62 120.07 2ysm n SER 63 Ca -0.18 -1.72 -0.19 0.00 -0.26 0.00 0.00 58.87 56.51 2ysm n SER 63 Cb 0.56 -0.05 0.15 0.00 -0.26 0.00 0.00 64.21 64.61 2ysm n SER 63 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 2ysm n GLY 64 N 0.81 -2.12 4.12 5.00 0.00 -1.26 -4.28 105.19 107.46 2ysm n GLY 64 Ca 0.10 -1.57 -0.34 0.00 0.00 0.00 0.00 46.02 44.21 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 -3.29 -1.25 -0.01 1.61 4.71 -1.26 -4.85 120.64 116.30 2ysm n GLU 65 Ca 0.10 0.18 -0.12 0.00 -0.01 0.00 0.00 57.16 57.31 2ysm n GLU 65 Cb 0.37 -3.53 -0.07 0.00 -1.01 0.00 0.00 31.44 27.21 2ysm n GLU 65 CO 0.00 0.00 0.00 0.22 0.09 0.00 0.00 177.13 177.44 2ysm h ASP 66 N -2.05 0.10 -0.11 1.62 3.58 -1.95 -0.62 116.42 116.99 2ysm h ASP 66 Ca -0.67 -0.22 0.02 0.00 0.42 0.00 0.00 57.03 56.58 2ysm h ASP 66 Cb 1.39 -0.03 -0.05 0.00 1.72 0.00 0.00 39.33 42.37 2ysm h ASP 66 CO 0.62 0.29 -0.40 0.28 -2.88 0.00 0.00 179.24 177.15 2ysm h SER 67 N -0.10 -1.27 -0.92 2.28 0.02 -1.96 -1.72 113.55 109.88 2ysm h SER 67 Ca 0.02 0.15 0.04 0.00 -0.84 0.00 0.00 61.79 61.16 2ysm h SER 67 Cb 0.23 0.50 -0.06 0.00 0.14 0.00 0.00 62.40 63.21 2ysm h SER 67 CO -0.00 -0.35 0.59 0.11 -1.14 0.00 0.00 176.83 176.04 2ysm h LYS 68 N -0.42 1.09 -3.91 3.45 1.57 -1.95 -3.44 116.57 112.96 2ysm h LYS 68 Ca 0.02 -0.07 -0.50 0.00 -1.87 0.00 0.00 60.65 58.24 2ysm h LYS 68 Cb 0.50 -0.25 0.04 0.00 0.08 0.00 0.00 32.23 32.60 2ysm h LYS 68 CO -0.33 0.72 -0.04 -0.12 -0.57 0.00 0.00 179.45 179.12 2ysm n MET 69 N -4.52 0.00 -3.55 3.15 1.56 -0.24 -4.34 117.12 109.18 2ysm n MET 69 Ca 0.12 0.00 -0.41 0.00 -0.27 0.00 0.00 57.70 57.14 2ysm n MET 69 Cb 0.11 -0.91 -0.10 0.00 2.15 0.00 0.00 33.22 34.48 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 0.42 5.06 -0.37 -0.89 1.43 0.84 -4.95 118.68 120.23 2ysm s LEU 70 Ca 0.56 -1.22 -0.27 0.00 -1.03 0.00 0.00 54.13 52.17 2ysm s LEU 70 Cb -0.78 -2.05 0.02 0.00 0.03 0.00 0.00 46.19 43.41 2ysm s LEU 70 CO 0.37 -0.49 0.98 -0.69 0.23 0.00 0.00 176.35 176.75 2ysm s VAL 71 N 1.54 4.53 0.11 -1.59 1.01 -1.26 -2.81 120.40 121.92 2ysm s VAL 71 Ca 0.03 1.28 -0.31 0.00 0.00 0.00 0.00 61.98 62.98 2ysm s VAL 71 Cb -0.21 -4.38 -0.09 0.00 0.00 0.00 0.00 36.38 31.69 2ysm s VAL 71 CO 0.05 -0.59 1.62 0.00 0.00 0.00 0.00 175.10 176.19 2ysm n ASP 73 N 4.96 2.64 0.00 0.00 5.75 -1.25 -1.54 116.55 127.11 2ysm n ASP 73 Ca 0.15 -2.22 0.00 0.00 -0.01 0.00 0.00 54.79 52.71 2ysm n ASP 73 Cb 0.40 -0.55 0.00 0.00 -1.03 0.00 0.00 41.12 39.94 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 0.19 0.00 -0.03 2.12 -1.04 -1.26 -4.90 114.28 109.36 2ysm n THR 74 Ca 0.08 0.00 -0.03 0.00 -2.04 0.00 0.00 64.05 62.06 2ysm n THR 74 Cb 0.59 -0.73 -0.03 0.00 -1.82 0.00 0.00 70.33 68.33 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 -2.33 -3.76 -0.09 0.00 -0.08 -0.59 -4.80 116.55 104.91 2ysm n ASP 76 Ca -0.09 -0.50 -0.16 0.00 -1.51 0.00 0.00 54.79 52.53 2ysm n ASP 76 Cb 0.64 -4.00 -0.09 0.00 2.34 0.00 0.00 41.12 40.02 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 -1.12 0.00 0.00 -0.67 1.79 -1.91 -3.41 116.57 111.25 2ysm h LYS 77 Ca -0.45 0.00 0.00 0.00 -2.18 0.00 0.00 60.65 58.02 2ysm h LYS 77 Cb 1.24 0.00 0.00 0.00 -1.58 0.00 0.00 32.23 31.89 2ysm h LYS 77 CO 0.35 0.72 0.00 0.41 -1.08 0.00 0.00 179.45 179.85 2ysm n GLY 78 N 1.50 2.29 3.00 3.86 0.00 -1.26 -4.12 105.19 110.46 2ysm n GLY 78 Ca -0.23 -0.96 -0.14 0.00 0.00 0.00 0.00 46.02 44.69 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 1.04 1.61 2.02 -1.12 -3.46 117.35 117.05 2ysm s TYR 79 Ca 0.00 0.89 -0.12 0.00 -0.37 0.00 0.00 57.07 57.47 2ysm s TYR 79 Cb 0.00 -0.04 0.21 0.00 -0.40 0.00 0.00 41.96 41.73 2ysm s TYR 79 CO 0.00 -0.32 1.07 -1.01 -1.57 0.00 0.00 175.55 173.72 2ysm s HIS 80 N 2.13 1.83 0.08 2.71 3.76 -1.26 -0.11 115.29 124.43 2ysm s HIS 80 Ca -0.01 1.16 0.01 0.00 -0.15 0.00 0.00 55.06 56.07 2ysm s HIS 80 Cb -0.12 -3.19 -0.25 0.00 1.11 0.00 0.00 32.58 30.13 2ysm s HIS 80 CO -0.08 -3.16 1.15 1.79 -0.85 0.00 0.00 174.74 173.59 2ysm h THR 81 N -2.10 1.53 -0.75 1.30 1.35 -1.86 -3.23 112.91 109.16 2ysm h THR 81 Ca -0.55 -3.18 -0.24 0.00 -0.55 0.00 0.00 66.41 61.89 2ysm h THR 81 Cb 1.32 2.87 -0.14 0.00 -1.73 0.00 0.00 68.15 70.47 2ysm h THR 81 CO 0.53 0.91 0.30 2.22 -0.25 0.00 0.00 175.52 179.23 2ysm n PHE 82 N -3.43 2.47 0.00 4.73 -1.74 -1.26 -0.07 117.46 118.15 2ysm n PHE 82 Ca -0.06 -1.22 0.00 0.00 -0.56 0.00 0.00 57.45 55.61 2ysm n PHE 82 Cb 0.99 -0.70 0.00 0.00 1.52 0.00 0.00 39.48 41.29 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 -2.47 2.26 -0.28 0.00 1.43 -1.22 -4.94 118.68 113.47 2ysm s LEU 84 Ca 0.00 1.49 -0.03 0.00 -1.03 0.00 0.00 54.13 54.56 2ysm s LEU 84 Cb 0.00 -3.91 0.09 0.00 0.03 0.00 0.00 46.19 42.40 2ysm s LEU 84 CO 0.00 -2.64 0.11 -1.10 0.23 0.00 0.00 176.35 172.95 2ysm s GLN 85 N -4.93 0.37 1.13 1.70 -0.21 -1.26 -2.09 119.66 114.37 2ysm s GLN 85 Ca 0.63 -0.64 -0.16 0.00 0.02 0.00 0.00 55.36 55.21 2ysm s GLN 85 Cb -0.18 -1.53 0.25 0.00 1.00 0.00 0.00 33.01 32.55 2ysm s GLN 85 CO 0.57 -0.95 1.10 -1.25 -2.12 0.00 0.00 175.29 172.64 2ysm s PRO 86 N 1.94 -0.61 0.43 2.91 0.04 -1.26 -5.14 135.00 133.31 2ysm s PRO 86 Ca 0.08 0.16 -0.03 0.00 0.04 0.00 0.00 61.00 61.25 2ysm s PRO 86 Cb -0.16 -1.65 -0.03 0.00 0.04 0.00 0.00 34.50 32.69 2ysm s PRO 86 CO -0.29 -3.35 0.69 0.14 0.04 0.00 0.00 177.00 174.23 2ysm s VAL 87 N -2.99 4.99 -0.99 -0.36 -7.23 -0.89 -4.98 120.40 107.96 2ysm s VAL 87 Ca 0.69 -0.06 -0.04 0.00 -1.81 0.00 0.00 61.98 60.75 2ysm s VAL 87 Cb -0.13 -3.86 0.26 0.00 0.56 0.00 0.00 36.38 33.20 2ysm s VAL 87 CO 0.57 -0.74 1.00 0.23 -0.31 0.00 0.00 175.10 175.85 2ysm n MET 88 N -2.07 3.22 -0.28 4.82 2.81 0.89 -4.90 117.12 121.60 2ysm n MET 88 Ca -0.02 -4.50 0.26 0.00 -1.81 0.00 0.00 57.70 51.64 2ysm n MET 88 Cb 0.56 -2.46 0.47 0.00 -0.71 0.00 0.00 33.22 31.07 2ysm n MET 88 CO 0.00 0.00 0.00 1.17 1.51 0.00 0.00 175.97 178.65 2ysm n LYS 89 N 2.19 -0.04 -4.61 0.03 3.00 -1.26 -4.40 118.16 113.07 2ysm n LYS 89 Ca 0.24 1.00 -0.28 0.00 -0.00 0.00 0.00 58.31 59.27 2ysm n LYS 89 Cb 0.37 -1.87 -0.09 0.00 0.00 0.00 0.00 35.03 33.44 2ysm n LYS 89 CO 0.00 0.00 0.00 -1.54 0.00 0.00 0.00 177.40 175.86 2ysm s SER 90 N -4.53 3.47 -0.08 3.14 1.04 -1.26 -5.03 113.70 110.45 2ysm s SER 90 Ca -0.06 -1.51 -0.00 0.00 0.48 0.00 0.00 55.95 54.85 2ysm s SER 90 Cb 0.25 0.10 -0.03 0.00 0.10 0.00 0.00 66.02 66.44 2ysm s SER 90 CO 0.60 -0.69 -0.04 -0.69 0.98 0.00 0.00 173.24 173.40 2ysm s VAL 91 N -2.97 3.92 1.18 5.02 1.01 -1.26 -5.05 120.40 122.26 2ysm s VAL 91 Ca 0.24 -0.39 -0.18 0.00 0.00 0.00 0.00 61.98 61.65 2ysm s VAL 91 Cb 0.06 -2.63 0.27 0.00 0.00 0.00 0.00 36.38 34.08 2ysm s VAL 91 CO 0.12 0.59 1.11 -2.16 0.00 0.00 0.00 175.10 174.76 2ysm s PRO 92 N -0.74 -1.03 0.10 2.72 0.04 -1.26 -5.05 135.00 129.79 2ysm s PRO 92 Ca 0.11 0.00 0.00 0.00 0.04 0.00 0.00 61.00 61.16 2ysm s PRO 92 Cb -0.11 -1.61 0.00 0.00 0.04 0.00 0.00 34.50 32.81 2ysm s PRO 92 CO 0.02 -3.60 0.00 2.41 0.04 0.00 0.00 177.00 175.87 2ysm n THR 93 N -4.69 0.45 0.05 1.26 -1.04 -1.26 -4.87 114.28 104.19 2ysm n THR 93 Ca 0.12 0.15 -0.11 0.00 -2.04 0.00 0.00 64.05 62.17 2ysm n THR 93 Cb 0.59 -1.18 -0.04 0.00 -1.82 0.00 0.00 70.33 67.88 2ysm n THR 93 CO 0.00 0.00 0.00 -1.13 -0.64 0.00 0.00 175.07 173.30 2ysm h ASN 94 N 0.00 -0.83 0.00 8.00 -0.73 -2.08 -3.46 115.58 116.48 2ysm h ASN 94 Ca 0.00 0.11 0.00 0.00 1.87 0.00 0.00 56.30 58.28 2ysm h ASN 94 Cb 0.28 0.34 0.00 0.00 0.27 0.00 0.00 38.32 39.21 2ysm h ASN 94 CO 0.00 -0.34 0.00 0.61 -0.37 0.00 0.00 177.43 177.33 2ysm n GLY 95 N -1.39 1.63 3.67 1.57 0.00 -1.26 -5.18 105.19 104.24 2ysm n GLY 95 Ca -0.04 0.02 -0.24 0.00 0.00 0.00 0.00 46.02 45.76 2ysm n GLY 95 CO 0.00 0.00 0.00 0.86 0.00 0.00 0.00 173.32 174.18 2ysm s TRP 96 N -1.06 2.78 -0.20 1.61 -0.00 -1.26 -4.98 118.94 115.83 2ysm s TRP 96 Ca 0.00 -0.19 -0.12 0.00 -0.00 0.00 0.00 56.10 55.79 2ysm s TRP 96 Cb 0.00 -1.27 0.06 0.00 -0.00 0.00 0.00 33.47 32.27 2ysm s TRP 96 CO 0.00 0.58 0.49 0.21 -0.00 0.00 0.00 176.95 178.23 2ysm s LYS 97 N -3.49 0.50 1.00 5.86 2.20 -1.26 -3.93 119.74 120.62 2ysm s LYS 97 Ca 0.30 0.89 -0.12 0.00 -0.36 0.00 0.00 55.97 56.68 2ysm s LYS 97 Cb -0.07 0.06 0.19 0.00 -1.51 0.00 0.00 37.83 36.50 2ysm s LYS 97 CO 0.20 -0.14 1.09 0.00 -0.36 0.00 0.00 175.35 176.13 2ysm h LYS 99 N -1.92 0.08 -0.35 0.00 3.64 -2.00 -1.45 116.57 114.57 2ysm h LYS 99 Ca -0.54 -0.07 0.10 0.00 -1.27 0.00 0.00 60.65 58.87 2ysm h LYS 99 Cb 1.32 0.01 -0.01 0.00 -0.41 0.00 0.00 32.23 33.14 2ysm h LYS 99 CO 0.57 0.74 0.65 -0.91 -2.27 0.00 0.00 179.45 178.22 2ysm h ASN 100 N -0.55 0.00 0.02 4.20 2.35 -1.99 -0.27 115.58 119.33 2ysm h ASN 100 Ca -0.01 0.00 -0.37 0.00 -0.55 0.00 0.00 56.30 55.37 2ysm h ASN 100 Cb 0.76 0.00 -0.05 0.00 0.05 0.00 0.00 38.32 39.07 2ysm h ASN 100 CO 0.02 0.00 -2.11 0.00 -1.65 0.00 0.00 177.43 173.69 2ysm h ARG 102 N -0.67 0.00 -4.67 0.00 0.11 0.06 -3.43 114.38 105.78 2ysm h ARG 102 Ca -0.55 0.00 -0.56 0.00 0.10 0.00 0.00 59.98 58.98 2ysm h ARG 102 Cb 1.64 0.00 0.07 0.00 1.11 0.00 0.00 29.97 32.79 2ysm h ARG 102 CO -0.24 0.00 -0.24 -0.89 0.10 0.00 0.00 179.97 178.71 2ysm n ILE 103 N -4.14 0.96 -3.50 0.08 2.08 -0.81 -1.14 119.36 112.89 2ysm n ILE 103 Ca 0.27 -0.24 -0.20 0.00 0.56 0.00 0.00 62.75 63.14 2ysm n ILE 103 Cb 1.31 0.00 0.08 0.00 -0.75 0.00 0.00 39.64 40.28 2ysm n ILE 103 CO 0.00 0.00 0.00 0.00 0.56 0.00 0.00 176.55 177.11 2ysm h ILE 105 N -2.27 0.12 -2.51 0.00 6.09 -1.46 -3.36 117.51 114.12 2ysm h ILE 105 Ca -0.58 -0.04 -0.21 0.00 -1.37 0.00 0.00 64.86 62.67 2ysm h ILE 105 Cb 1.35 0.01 -0.32 0.00 0.47 0.00 0.00 36.82 38.33 2ysm h ILE 105 CO 0.52 0.02 -0.52 -0.55 -3.07 0.00 0.00 178.15 174.55 2ysm s SER 106 N -4.83 0.49 0.36 2.19 0.15 -1.26 -5.12 113.70 105.67 2ysm s SER 106 Ca -0.11 0.37 0.00 0.00 0.70 0.00 0.00 55.95 56.91 2ysm s SER 106 Cb 0.30 0.81 0.00 0.00 -1.71 0.00 0.00 66.02 65.43 2ysm s SER 106 CO 0.78 -0.27 0.00 0.61 1.20 0.00 0.00 173.24 175.56 2ysm n GLY 107 N 5.35 -3.17 3.77 9.45 0.00 -1.26 -4.90 105.19 114.43 2ysm n GLY 107 Ca -0.06 -1.18 -0.35 0.00 0.00 0.00 0.00 46.02 44.43 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 -3.98 3.34 0.26 1.61 0.04 -1.26 -4.75 135.00 130.27 2ysm s PRO 108 Ca 0.00 1.61 0.09 0.00 0.04 0.00 0.00 61.00 62.74 2ysm s PRO 108 Cb 0.00 -2.00 -0.04 0.00 0.04 0.00 0.00 34.50 32.49 2ysm s PRO 108 CO 0.00 -0.86 0.01 -1.12 0.04 0.00 0.00 177.00 175.07 2ysm s SER 109 N -1.79 4.62 -0.47 6.66 0.01 -1.26 -5.10 113.70 116.37 2ysm s SER 109 Ca 0.73 -0.61 0.02 0.00 1.31 0.00 0.00 55.95 57.40 2ysm s SER 109 Cb -0.24 -0.89 0.12 0.00 0.21 0.00 0.00 66.02 65.22 2ysm s SER 109 CO 0.27 0.00 0.22 -0.55 0.41 0.00 0.00 173.24 173.60 2ysm s SER 110 N -3.66 4.72 0.00 2.44 0.15 -1.26 -5.17 113.70 110.92 2ysm s SER 110 Ca 0.31 -2.62 0.00 0.00 0.70 0.00 0.00 55.95 54.35 2ysm s SER 110 Cb -0.07 -1.70 0.00 0.00 -1.71 0.00 0.00 66.02 62.55 2ysm s SER 110 CO 0.20 -0.34 0.00 0.61 1.20 0.00 0.00 173.24 174.92