#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1wfm n SER 2 N 0.00 -8.95 0.12 1.61 7.64 -1.26 -5.06 113.62 107.73 1wfm n SER 2 Ca 0.00 1.29 0.00 0.00 1.01 0.00 0.00 58.87 61.17 1wfm n SER 2 Cb 0.00 -4.78 0.00 0.00 -1.01 0.00 0.00 64.21 58.42 1wfm n SER 2 CO 0.00 0.00 0.00 -0.24 -3.01 0.00 0.00 175.04 171.79 1wfm n SER 3 N 0.87 -1.50 0.00 6.43 2.88 -1.26 -5.19 113.62 115.86 1wfm n SER 3 Ca 0.00 0.45 0.00 0.00 -1.33 0.00 0.00 58.87 57.99 1wfm n SER 3 Cb 0.00 1.56 0.00 0.00 -0.75 0.00 0.00 64.21 65.02 1wfm n SER 3 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 1wfm n GLY 4 N -0.13 1.00 3.83 0.46 0.00 -1.26 -5.16 105.19 103.93 1wfm n GLY 4 Ca 0.00 -1.96 -0.06 0.00 0.00 0.00 0.00 46.02 44.00 1wfm n GLY 4 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 1wfm s SER 5 N -1.10 -0.23 -0.23 1.61 0.15 -1.26 -5.17 113.70 107.47 1wfm s SER 5 Ca 0.00 -0.55 -0.13 0.00 0.70 0.00 0.00 55.95 55.97 1wfm s SER 5 Cb 0.00 0.66 0.07 0.00 -1.71 0.00 0.00 66.02 65.03 1wfm s SER 5 CO 0.00 -1.21 0.56 -0.55 1.20 0.00 0.00 173.24 173.24 1wfm s SER 6 N -2.93 -0.73 0.30 5.45 0.15 -1.26 -5.17 113.70 109.50 1wfm s SER 6 Ca 0.11 1.22 0.01 0.00 0.70 0.00 0.00 55.95 58.00 1wfm s SER 6 Cb -0.05 1.10 -0.01 0.00 -1.71 0.00 0.00 66.02 65.36 1wfm s SER 6 CO 0.06 -0.22 0.05 0.61 1.20 0.00 0.00 173.24 174.94 1wfm n GLY 7 N 4.17 3.65 3.83 9.45 0.00 -1.26 -5.17 105.19 119.87 1wfm n GLY 7 Ca -0.21 -2.17 -0.03 0.00 0.00 0.00 0.00 46.02 43.61 1wfm n GLY 7 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1wfm s SER 8 N -2.74 -0.05 -0.30 1.61 0.01 -1.26 -5.17 113.70 105.81 1wfm s SER 8 Ca 0.07 -0.54 -0.15 0.00 1.31 0.00 0.00 55.95 56.64 1wfm s SER 8 Cb 0.00 0.45 0.15 0.00 0.21 0.00 0.00 66.02 66.84 1wfm s SER 8 CO 0.05 -0.89 0.95 0.86 0.41 0.00 0.00 173.24 174.63 1wfm s TRP 9 N -2.46 -0.69 -3.31 2.43 -0.00 -1.26 -5.17 118.94 108.48 1wfm s TRP 9 Ca 0.19 1.26 0.00 0.00 -0.00 0.00 0.00 56.10 57.55 1wfm s TRP 9 Cb -0.02 0.41 0.00 0.00 -0.00 0.00 0.00 33.47 33.87 1wfm s TRP 9 CO 0.04 -0.34 0.00 0.09 -0.00 0.00 0.00 176.95 176.73 1wfm n ASN 10 N 4.51 0.00 -4.08 5.86 4.13 -1.26 -5.15 115.26 119.27 1wfm n ASN 10 Ca -0.13 0.00 -0.37 0.00 1.68 0.00 0.00 54.58 55.76 1wfm n ASN 10 Cb 0.54 0.00 0.06 0.00 -1.54 0.00 0.00 39.78 38.85 1wfm n ASN 10 CO 0.00 0.00 0.00 0.00 0.28 0.00 0.00 177.26 177.54 1wfm n GLN 11 N -0.28 -0.30 -4.29 3.52 6.02 -1.26 -5.01 117.38 115.79 1wfm n GLN 11 Ca 0.00 -0.08 -0.20 0.00 -0.01 0.00 0.00 57.00 56.71 1wfm n GLN 11 Cb 0.00 -1.19 -0.11 0.00 1.02 0.00 0.00 30.24 29.96 1wfm n GLN 11 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 177.06 176.05 1wfm s ALA 12 N -2.07 1.76 0.25 -1.58 0.00 -1.26 -5.01 121.76 113.86 1wfm s ALA 12 Ca 0.42 -1.41 -0.30 0.00 0.00 0.00 0.00 51.96 50.67 1wfm s ALA 12 Cb -0.03 -0.12 -0.09 0.00 0.00 0.00 0.00 23.12 22.87 1wfm s ALA 12 CO 0.71 0.15 1.09 -1.25 0.00 0.00 0.00 175.76 176.46 1wfm s PRO 13 N -2.82 4.65 0.09 0.00 0.04 -1.26 -4.58 135.00 131.10 1wfm s PRO 13 Ca 0.13 1.76 0.08 0.00 0.04 0.00 0.00 61.00 63.02 1wfm s PRO 13 Cb -0.05 -3.22 -0.04 0.00 0.04 0.00 0.00 34.50 31.24 1wfm s PRO 13 CO 0.05 0.20 -0.18 0.15 0.04 0.00 0.00 177.00 177.26 1wfm s LYS 14 N -1.17 1.90 -0.15 4.56 1.02 -0.45 -0.32 119.74 125.13 1wfm s LYS 14 Ca 0.45 -1.10 -0.04 0.00 0.02 0.00 0.00 55.97 55.30 1wfm s LYS 14 Cb -0.31 -2.14 0.06 0.00 -0.52 0.00 0.00 37.83 34.92 1wfm s LYS 14 CO 0.39 0.50 0.15 -1.17 -0.92 0.00 0.00 175.35 174.30 1wfm s LEU 15 N -1.85 0.07 0.12 3.17 2.96 0.86 0.21 118.68 124.22 1wfm s LEU 15 Ca 0.17 -0.18 -0.26 0.00 -0.22 0.00 0.00 54.13 53.64 1wfm s LEU 15 Cb -0.11 0.10 -0.07 0.00 0.50 0.00 0.00 46.19 46.62 1wfm s LEU 15 CO 0.08 -0.31 0.80 -2.28 -1.32 0.00 0.00 176.35 173.32 1wfm s HIS 16 N 2.24 3.84 -0.17 5.38 5.65 0.14 -2.74 115.29 129.64 1wfm s HIS 16 Ca 0.04 1.61 -0.22 0.00 0.25 0.00 0.00 55.06 56.74 1wfm s HIS 16 Cb -0.15 -2.82 0.06 0.00 -1.18 0.00 0.00 32.58 28.49 1wfm s HIS 16 CO -0.09 0.40 0.57 1.52 -0.65 0.00 0.00 174.74 176.49 1wfm s TYR 17 N -0.65 -0.59 -0.30 3.88 -0.85 -0.88 -2.45 117.35 115.51 1wfm s TYR 17 Ca 0.38 1.35 0.03 0.00 -0.52 0.00 0.00 57.07 58.30 1wfm s TYR 17 Cb -0.22 0.24 0.08 0.00 0.38 0.00 0.00 41.96 42.44 1wfm s TYR 17 CO 0.26 -0.37 -0.00 0.00 -1.52 0.00 0.00 175.55 173.92 1wfm s LEU 19 N 1.10 4.54 -0.30 0.00 1.43 -1.25 -1.03 118.68 123.17 1wfm s LEU 19 Ca 0.03 2.15 -0.03 0.00 -1.03 0.00 0.00 54.13 55.25 1wfm s LEU 19 Cb -0.19 -3.62 0.18 0.00 0.03 0.00 0.00 46.19 42.59 1wfm s LEU 19 CO -0.09 -0.13 0.61 -0.62 0.23 0.00 0.00 176.35 176.36 1wfm s ASP 20 N -0.62 -1.33 -0.37 2.29 -1.08 -0.07 0.21 116.67 115.69 1wfm s ASP 20 Ca 0.46 1.02 -0.14 0.00 -0.52 0.00 0.00 52.55 53.37 1wfm s ASP 20 Cb -0.30 2.19 0.00 0.00 -1.46 0.00 0.00 42.92 43.36 1wfm s ASP 20 CO 0.37 -0.25 0.27 -0.47 0.52 0.00 0.00 175.17 175.61 1wfm s TYR 21 N 2.87 3.23 -1.03 -5.34 5.04 -1.26 -0.90 117.35 119.96 1wfm s TYR 21 Ca 0.15 -0.41 -0.17 0.00 -2.44 0.00 0.00 57.07 54.21 1wfm s TYR 21 Cb -0.14 -2.53 0.15 0.00 0.35 0.00 0.00 41.96 39.79 1wfm s TYR 21 CO -0.21 -0.48 1.23 0.34 -1.34 0.00 0.00 175.55 175.10 1wfm s ASP 22 N 1.70 6.81 0.45 4.32 -1.08 -1.13 -4.83 116.67 122.90 1wfm s ASP 22 Ca 0.05 -2.45 0.32 0.00 -0.52 0.00 0.00 52.55 49.95 1wfm s ASP 22 Cb -0.18 -2.39 1.45 0.00 -1.46 0.00 0.00 42.92 40.34 1wfm s ASP 22 CO 0.10 -0.91 1.62 0.00 0.52 0.00 0.00 175.17 176.50 1wfm h GLN 24 N 0.07 0.26 0.00 0.00 4.20 -1.97 -2.18 115.11 115.49 1wfm h GLN 24 Ca 0.83 -0.02 -0.01 0.00 0.06 0.00 0.00 58.65 59.52 1wfm h GLN 24 Cb 2.67 -0.06 -0.00 0.00 0.30 0.00 0.00 27.48 30.39 1wfm h GLN 24 CO -0.38 0.17 -1.02 1.63 -0.67 0.00 0.00 178.83 178.56 1wfm n LYS 25 N -5.03 0.61 -3.07 1.46 5.02 0.57 -4.95 118.16 112.76 1wfm n LYS 25 Ca 0.02 0.13 -0.20 0.00 -2.02 0.00 0.00 58.31 56.23 1wfm n LYS 25 Cb 0.15 -1.83 0.04 0.00 -0.02 0.00 0.00 35.03 33.37 1wfm n LYS 25 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 1wfm n ALA 26 N -2.19 -0.94 -3.14 7.82 0.00 0.77 -4.92 120.51 117.92 1wfm n ALA 26 Ca -0.00 0.29 -0.19 0.00 0.00 0.00 0.00 53.44 53.54 1wfm n ALA 26 Cb 0.56 -3.90 -0.15 0.00 0.00 0.00 0.00 19.45 15.95 1wfm n ALA 26 CO 0.00 0.00 0.00 -1.21 0.00 0.00 0.00 177.50 176.29 1wfm s GLU 27 N -5.72 0.73 0.32 0.00 2.02 -1.23 -0.69 118.70 114.12 1wfm s GLU 27 Ca 0.33 -0.20 -0.27 0.00 0.02 0.00 0.00 54.97 54.86 1wfm s GLU 27 Cb -0.15 -0.71 -0.09 0.00 0.10 0.00 0.00 34.13 33.28 1wfm s GLU 27 CO 0.41 0.05 0.99 -1.17 0.02 0.00 0.00 175.26 175.56 1wfm s LEU 28 N 0.32 4.37 -0.01 1.80 1.98 0.70 -2.85 118.68 124.99 1wfm s LEU 28 Ca -0.04 1.96 0.05 0.00 -2.89 0.00 0.00 54.13 53.21 1wfm s LEU 28 Cb -0.08 -3.94 -0.01 0.00 0.66 0.00 0.00 46.19 42.81 1wfm s LEU 28 CO 0.00 -0.14 -0.17 -0.36 -1.89 0.00 0.00 176.35 173.80 1wfm s PHE 29 N -1.50 1.51 -0.57 5.38 0.40 -0.07 -0.34 117.98 122.79 1wfm s PHE 29 Ca 0.50 -0.29 0.06 0.00 -0.60 0.00 0.00 56.93 56.59 1wfm s PHE 29 Cb -0.22 -0.96 0.23 0.00 0.51 0.00 0.00 43.02 42.57 1wfm s PHE 29 CO 0.28 -0.02 0.61 0.28 0.70 0.00 0.00 175.22 177.08 1wfm n VAL 30 N 2.58 1.16 -1.27 -0.44 0.31 0.28 -0.89 118.33 120.06 1wfm n VAL 30 Ca -0.15 -4.70 -0.12 0.00 -0.01 0.00 0.00 64.34 59.37 1wfm n VAL 30 Cb 0.54 -2.04 0.08 0.00 -0.91 0.00 0.00 33.84 31.51 1wfm n VAL 30 CO 0.00 0.00 0.00 0.35 -1.32 0.00 0.00 176.83 175.86 1wfm n THR 31 N 1.37 0.00 -3.56 2.52 -2.24 -0.20 -2.74 114.28 109.43 1wfm n THR 31 Ca 0.26 -0.36 -0.24 0.00 -2.27 0.00 0.00 64.05 61.44 1wfm n THR 31 Cb 0.43 -1.71 0.05 0.00 -2.10 0.00 0.00 70.33 67.01 1wfm n THR 31 CO 0.00 0.00 0.00 0.54 -0.57 0.00 0.00 175.07 175.04 1wfm n ARG 32 N -2.21 -2.43 -3.02 -0.78 5.12 -1.26 0.17 116.66 112.25 1wfm n ARG 32 Ca 0.06 0.62 -0.42 0.00 -1.93 0.00 0.00 57.85 56.19 1wfm n ARG 32 Cb 0.23 -4.89 -0.06 0.00 -1.16 0.00 0.00 32.46 26.58 1wfm n ARG 32 CO 0.00 0.00 0.00 -0.51 -1.93 0.00 0.00 177.63 175.19 1wfm s LEU 33 N -6.20 4.12 -0.28 0.55 1.43 -1.25 -2.06 118.68 114.99 1wfm s LEU 33 Ca 0.35 0.52 0.02 0.00 -1.03 0.00 0.00 54.13 54.00 1wfm s LEU 33 Cb -0.10 -2.95 0.17 0.00 0.03 0.00 0.00 46.19 43.34 1wfm s LEU 33 CO 0.81 -0.56 0.45 -1.61 0.23 0.00 0.00 176.35 175.67 1wfm s GLU 34 N 2.81 0.44 0.15 1.70 2.02 -1.02 -2.73 118.70 122.07 1wfm s GLU 34 Ca 0.29 0.35 -0.26 0.00 0.02 0.00 0.00 54.97 55.37 1wfm s GLU 34 Cb -0.14 -0.16 -0.08 0.00 0.10 0.00 0.00 34.13 33.85 1wfm s GLU 34 CO 0.12 -0.94 0.81 0.00 0.02 0.00 0.00 175.26 175.28 1wfm s ALA 35 N 2.62 3.41 -0.65 5.21 0.00 -0.69 0.25 121.76 131.91 1wfm s ALA 35 Ca 0.11 0.40 0.06 0.00 0.00 0.00 0.00 51.96 52.53 1wfm s ALA 35 Cb -0.13 -3.02 0.21 0.00 0.00 0.00 0.00 23.12 20.18 1wfm s ALA 35 CO -0.26 0.22 0.60 0.28 0.00 0.00 0.00 175.76 176.60 1wfm n VAL 36 N 1.88 1.70 -2.99 0.00 0.31 0.55 -2.88 118.33 116.90 1wfm n VAL 36 Ca -0.04 -4.91 -0.44 0.00 -0.01 0.00 0.00 64.34 58.94 1wfm n VAL 36 Cb 0.49 -2.11 -0.04 0.00 -0.91 0.00 0.00 33.84 31.27 1wfm n VAL 36 CO 0.00 0.00 0.00 0.42 -1.32 0.00 0.00 176.83 175.93 1wfm s THR 37 N -1.82 4.70 0.00 2.52 -4.23 -1.25 -1.34 115.64 114.22 1wfm s THR 37 Ca 0.32 -1.08 0.00 0.00 -1.18 0.00 0.00 61.69 59.75 1wfm s THR 37 Cb 0.05 -4.63 0.00 0.00 1.34 0.00 0.00 72.50 69.26 1wfm s THR 37 CO -0.10 -1.33 0.75 -1.20 -0.54 0.00 0.00 174.62 172.20 1wfm n SER 38 N 6.65 0.00 -4.76 3.99 7.64 -1.26 -4.46 113.62 121.41 1wfm n SER 38 Ca 0.04 0.75 -0.37 0.00 1.01 0.00 0.00 58.87 60.30 1wfm n SER 38 Cb 0.46 -0.25 -0.07 0.00 -1.01 0.00 0.00 64.21 63.34 1wfm n SER 38 CO 0.00 0.00 0.00 0.21 -3.01 0.00 0.00 175.04 172.24 1wfm s ASN 39 N -2.62 6.53 0.00 6.43 3.84 -1.26 -4.94 114.94 122.92 1wfm s ASN 39 Ca 0.00 0.63 0.00 0.00 0.21 0.00 0.00 52.86 53.70 1wfm s ASN 39 Cb 0.00 -2.20 0.00 0.00 -0.55 0.00 0.00 41.25 38.50 1wfm s ASN 39 CO 0.00 0.16 0.00 1.57 -2.79 0.00 0.00 177.10 176.04 1wfm n HIS 40 N 3.07 0.00 -3.82 0.43 -0.00 -1.26 -5.04 115.22 108.60 1wfm n HIS 40 Ca -0.13 0.00 -0.13 0.00 0.46 0.00 0.00 57.72 57.92 1wfm n HIS 40 Cb 0.52 0.00 -0.15 0.00 -0.12 0.00 0.00 29.99 30.24 1wfm n HIS 40 CO 0.00 0.00 0.00 -0.51 0.46 0.00 0.00 176.34 176.29 1wfm s ASP 41 N 0.00 0.01 0.00 0.26 1.11 -1.26 -5.04 116.67 111.75 1wfm s ASP 41 Ca 0.00 0.05 0.00 0.00 0.18 0.00 0.00 52.55 52.78 1wfm s ASP 41 Cb 0.00 0.00 0.00 0.00 1.07 0.00 0.00 42.92 43.99 1wfm s ASP 41 CO 0.00 -0.06 0.00 0.61 1.18 0.00 0.00 175.17 176.90 1wfm n GLY 42 N 3.59 1.91 0.00 0.21 0.00 -1.26 -5.17 105.19 104.47 1wfm n GLY 42 Ca -0.19 -1.17 0.00 0.00 0.00 0.00 0.00 46.02 44.65 1wfm n GLY 42 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1wfm n GLY 43 N -1.09 1.12 0.90 -0.02 0.00 -1.26 -4.95 105.19 99.89 1wfm n GLY 43 Ca 0.00 -1.99 0.00 0.00 0.00 0.00 0.00 46.02 44.03 1wfm n GLY 43 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1wfm s ASP 45 N -2.62 3.59 0.29 0.00 1.01 -1.26 -4.63 116.67 113.06 1wfm s ASP 45 Ca 0.00 1.35 0.12 0.00 0.71 0.00 0.00 52.55 54.73 1wfm s ASP 45 Cb 0.00 -2.04 -0.05 0.00 1.01 0.00 0.00 42.92 41.84 1wfm s ASP 45 CO 0.00 -2.54 -0.18 0.00 0.21 0.00 0.00 175.17 172.65 1wfm s TYR 47 N -2.54 -0.55 0.14 0.00 -0.85 -1.07 -0.85 117.35 111.63 1wfm s TYR 47 Ca 0.30 0.84 -0.12 0.00 -0.52 0.00 0.00 57.07 57.57 1wfm s TYR 47 Cb -0.04 0.45 -0.07 0.00 0.38 0.00 0.00 41.96 42.68 1wfm s TYR 47 CO 0.15 -0.57 0.50 0.08 -1.52 0.00 0.00 175.55 174.20 1wfm s VAL 48 N -1.62 4.94 -0.03 -3.49 1.01 -1.26 -2.69 120.40 117.26 1wfm s VAL 48 Ca -0.06 0.64 0.01 0.00 0.00 0.00 0.00 61.98 62.57 1wfm s VAL 48 Cb -0.00 -3.69 0.02 0.00 0.00 0.00 0.00 36.38 32.71 1wfm s VAL 48 CO 0.04 0.20 -0.04 -1.58 0.00 0.00 0.00 175.10 173.71 1wfm s GLN 49 N -2.11 0.70 -0.20 2.72 0.74 0.97 -1.94 119.66 120.54 1wfm s GLN 49 Ca 0.38 -0.11 0.01 0.00 0.05 0.00 0.00 55.36 55.69 1wfm s GLN 49 Cb -0.14 -0.72 0.03 0.00 1.10 0.00 0.00 33.01 33.28 1wfm s GLN 49 CO 0.19 -0.04 -0.18 0.20 -0.55 0.00 0.00 175.29 174.92 1wfm s GLY 50 N 0.68 1.45 -0.08 2.59 0.00 0.12 -0.08 107.32 112.01 1wfm s GLY 50 Ca -0.09 -1.32 0.02 0.00 0.00 0.00 0.00 44.72 43.33 1wfm s GLY 50 CO -0.00 0.35 -0.14 -0.56 0.00 0.00 0.00 173.10 172.75 1wfm s SER 51 N 1.26 4.01 0.01 1.64 0.01 -0.83 -0.68 113.70 119.13 1wfm s SER 51 Ca 0.02 -0.24 0.08 0.00 1.31 0.00 0.00 55.95 57.12 1wfm s SER 51 Cb -0.14 -1.10 -0.02 0.00 0.21 0.00 0.00 66.02 64.96 1wfm s SER 51 CO -0.11 0.29 -0.23 -0.69 0.41 0.00 0.00 173.24 172.90 1wfm s VAL 52 N -0.37 1.85 -0.39 3.43 1.01 0.14 0.11 120.40 126.18 1wfm s VAL 52 Ca 0.04 -1.12 0.04 0.00 0.00 0.00 0.00 61.98 60.93 1wfm s VAL 52 Cb -0.12 -1.56 0.11 0.00 0.00 0.00 0.00 36.38 34.81 1wfm s VAL 52 CO 0.02 0.41 0.11 0.00 0.00 0.00 0.00 175.10 175.64 1wfm s ALA 53 N -0.66 2.88 1.01 5.51 0.00 -0.46 0.11 121.76 130.15 1wfm s ALA 53 Ca 0.09 -2.67 -0.12 0.00 0.00 0.00 0.00 51.96 49.26 1wfm s ALA 53 Cb -0.09 -1.99 0.20 0.00 0.00 0.00 0.00 23.12 21.23 1wfm s ALA 53 CO 0.00 -1.78 1.08 -0.80 0.00 0.00 0.00 175.76 174.26 1wfm s ASN 54 N 0.63 2.46 0.15 0.00 -0.87 0.58 -3.09 114.94 114.79 1wfm s ASN 54 Ca 0.13 1.32 -0.10 0.00 -1.57 0.00 0.00 52.86 52.64 1wfm s ASN 54 Cb -0.21 -2.00 0.17 0.00 -0.02 0.00 0.00 41.25 39.19 1wfm s ASN 54 CO -0.07 -3.25 0.96 -1.14 -2.57 0.00 0.00 177.10 171.03 1wfm n ARG 55 N -4.27 -0.13 -0.26 -0.60 0.63 0.14 -1.90 116.66 110.27 1wfm n ARG 55 Ca 0.05 0.96 0.01 0.00 -0.92 0.00 0.00 57.85 57.95 1wfm n ARG 55 Cb 0.56 -1.42 0.02 0.00 0.45 0.00 0.00 32.46 32.07 1wfm n ARG 55 CO 0.00 0.00 0.00 0.25 -2.51 0.00 0.00 177.63 175.37 1wfm n THR 56 N -4.93 0.32 -4.60 5.15 -2.24 -1.26 -5.04 114.28 101.68 1wfm n THR 56 Ca 0.07 -0.37 -0.28 0.00 -2.27 0.00 0.00 64.05 61.21 1wfm n THR 56 Cb 0.26 0.56 -0.09 0.00 -2.10 0.00 0.00 70.33 68.95 1wfm n THR 56 CO 0.00 0.00 0.00 -0.83 -0.57 0.00 0.00 175.07 173.67 1wfm s GLY 57 N -0.94 2.62 -0.06 3.38 0.00 -0.80 -5.17 107.32 106.36 1wfm s GLY 57 Ca 0.04 -1.30 -0.22 0.00 0.00 0.00 0.00 44.72 43.24 1wfm s GLY 57 CO 0.00 -1.99 0.50 -1.35 0.00 0.00 0.00 173.10 170.26 1wfm s SER 58 N -3.69 -0.45 0.10 1.64 1.04 -1.26 0.21 113.70 111.31 1wfm s SER 58 Ca 0.22 0.52 -0.05 0.00 0.48 0.00 0.00 55.95 57.12 1wfm s SER 58 Cb 0.05 0.54 -0.02 0.00 0.10 0.00 0.00 66.02 66.69 1wfm s SER 58 CO 0.12 -0.47 0.13 0.68 0.98 0.00 0.00 173.24 174.68 1wfm s VAL 59 N -0.99 0.14 0.07 5.02 -7.23 0.31 -4.92 120.40 112.78 1wfm s VAL 59 Ca -0.10 -1.52 -0.10 0.00 -1.81 0.00 0.00 61.98 58.45 1wfm s VAL 59 Cb -0.03 -1.63 0.00 0.00 0.56 0.00 0.00 36.38 35.28 1wfm s VAL 59 CO 0.06 -0.62 0.21 -1.61 -0.31 0.00 0.00 175.10 172.83 1wfm s GLU 60 N -3.94 0.79 0.13 4.82 2.02 -1.26 0.28 118.70 121.55 1wfm s GLU 60 Ca 0.12 -0.77 -0.24 0.00 0.02 0.00 0.00 54.97 54.10 1wfm s GLU 60 Cb 0.06 0.33 0.07 0.00 0.10 0.00 0.00 34.13 34.69 1wfm s GLU 60 CO -0.06 -0.25 0.72 0.00 0.02 0.00 0.00 175.26 175.69 1wfm s ALA 61 N -3.21 -1.61 0.21 5.21 0.00 0.14 -4.90 121.76 117.60 1wfm s ALA 61 Ca -0.00 0.48 -0.19 0.00 0.00 0.00 0.00 51.96 52.25 1wfm s ALA 61 Cb 0.02 0.75 0.03 0.00 0.00 0.00 0.00 23.12 23.92 1wfm s ALA 61 CO -0.07 -0.81 0.59 1.14 0.00 0.00 0.00 175.76 176.61 1wfm s GLN 62 N -3.58 1.47 0.57 0.00 1.03 -1.26 0.16 119.66 118.05 1wfm s GLN 62 Ca 0.04 -0.82 0.08 0.00 0.04 0.00 0.00 55.36 54.70 1wfm s GLN 62 Cb -0.02 0.56 0.07 0.00 0.03 0.00 0.00 33.01 33.65 1wfm s GLN 62 CO -0.08 -0.64 0.67 0.95 -2.54 0.00 0.00 175.29 173.65 1wfm s THR 63 N -3.86 1.96 0.37 3.63 -4.23 -0.82 -4.91 115.64 107.79 1wfm s THR 63 Ca 0.08 -1.16 -0.27 0.00 -1.18 0.00 0.00 61.69 59.17 1wfm s THR 63 Cb -0.02 -2.12 -0.09 0.00 1.34 0.00 0.00 72.50 71.61 1wfm s THR 63 CO -0.02 0.00 1.20 0.00 -0.54 0.00 0.00 174.62 175.26 1wfm s ALA 64 N -2.71 3.27 0.29 3.99 0.00 -1.26 -4.70 121.76 120.64 1wfm s ALA 64 Ca 0.53 1.05 -0.29 0.00 0.00 0.00 0.00 51.96 53.24 1wfm s ALA 64 Cb -0.05 -3.40 -0.10 0.00 0.00 0.00 0.00 23.12 19.57 1wfm s ALA 64 CO 0.33 -0.54 1.43 -0.51 0.00 0.00 0.00 175.76 176.47 1wfm s LEU 65 N -2.21 4.38 0.32 0.00 1.02 -1.26 -4.78 118.68 116.14 1wfm s LEU 65 Ca 0.54 2.75 0.04 0.00 0.02 0.00 0.00 54.13 57.48 1wfm s LEU 65 Cb -0.33 -3.64 -0.06 0.00 0.02 0.00 0.00 46.19 42.17 1wfm s LEU 65 CO 0.43 -0.70 0.04 -0.54 0.02 0.00 0.00 176.35 175.60 1wfm s LYS 66 N -1.01 1.63 0.09 1.70 1.02 -0.03 -4.91 119.74 118.24 1wfm s LYS 66 Ca 0.56 -1.90 -0.30 0.00 0.02 0.00 0.00 55.97 54.35 1wfm s LYS 66 Cb -0.42 -0.90 -0.06 0.00 -0.52 0.00 0.00 37.83 35.93 1wfm s LYS 66 CO 0.49 -0.16 1.12 0.21 -0.92 0.00 0.00 175.35 176.09 1wfm s LYS 67 N -3.87 4.52 -0.50 1.68 2.47 -1.26 -1.30 119.74 121.47 1wfm s LYS 67 Ca 0.35 1.69 -0.26 0.00 -1.56 0.00 0.00 55.97 56.19 1wfm s LYS 67 Cb 0.08 -3.34 -0.05 0.00 -1.46 0.00 0.00 37.83 33.06 1wfm s LYS 67 CO 0.15 -0.09 2.25 0.50 0.16 0.00 0.00 175.35 178.31 1wfm s ARG 68 N 0.51 2.31 0.44 4.03 3.52 -1.26 -4.84 118.95 123.66 1wfm s ARG 68 Ca 0.54 1.24 0.05 0.00 -0.13 0.00 0.00 55.73 57.42 1wfm s ARG 68 Cb -0.28 -4.52 -0.06 0.00 -1.56 0.00 0.00 34.95 28.54 1wfm s ARG 68 CO 0.31 -3.05 0.01 -0.65 -0.81 0.00 0.00 175.30 171.11 1wfm s GLN 69 N 7.80 2.03 0.46 5.12 -1.52 -1.26 -5.00 119.66 127.29 1wfm s GLN 69 Ca 0.90 -2.20 0.32 0.00 -1.95 0.00 0.00 55.36 52.42 1wfm s GLN 69 Cb -0.17 -1.56 1.51 0.00 -0.22 0.00 0.00 33.01 32.57 1wfm s GLN 69 CO 0.25 -0.17 1.95 1.25 -0.25 0.00 0.00 175.29 178.33 1wfm h LEU 70 N 1.64 0.00 -6.21 2.90 7.12 -1.91 -3.36 115.31 115.48 1wfm h LEU 70 Ca -0.44 0.00 -0.17 0.00 0.13 0.00 0.00 57.88 57.40 1wfm h LEU 70 Cb 1.27 0.00 -0.26 0.00 -0.53 0.00 0.00 40.66 41.14 1wfm h LEU 70 CO 0.78 0.00 -0.53 -2.28 -0.13 0.00 0.00 178.44 176.28 1wfm s HIS 71 N -3.68 -1.13 -0.11 1.25 2.46 -1.26 -3.85 115.29 108.96 1wfm s HIS 71 Ca -0.00 0.19 -0.13 0.00 0.47 0.00 0.00 55.06 55.59 1wfm s HIS 71 Cb 0.09 -0.05 -0.05 0.00 -0.13 0.00 0.00 32.58 32.45 1wfm s HIS 71 CO 0.40 -1.04 0.30 0.99 -2.47 0.00 0.00 174.74 172.92 1wfm s THR 72 N 2.23 5.27 0.08 0.89 2.01 -1.14 -4.96 115.64 120.02 1wfm s THR 72 Ca 0.12 0.57 0.04 0.00 0.31 0.00 0.00 61.69 62.73 1wfm s THR 72 Cb -0.11 -3.62 -0.03 0.00 0.01 0.00 0.00 72.50 68.75 1wfm s THR 72 CO -0.20 0.47 -0.10 0.42 -0.69 0.00 0.00 174.62 174.52 1wfm s THR 73 N -0.14 0.87 0.40 -0.82 -4.23 -1.26 -1.70 115.64 108.76 1wfm s THR 73 Ca 0.18 -1.46 0.05 0.00 -1.18 0.00 0.00 61.69 59.28 1wfm s THR 73 Cb -0.14 -1.15 -0.06 0.00 1.34 0.00 0.00 72.50 72.49 1wfm s THR 73 CO 0.06 -0.47 0.03 0.26 -0.54 0.00 0.00 174.62 173.96 1wfm s TRP 74 N -2.03 2.26 -0.25 3.99 0.51 -1.10 -5.03 118.94 117.28 1wfm s TRP 74 Ca 0.01 -0.81 -0.06 0.00 -2.12 0.00 0.00 56.10 53.12 1wfm s TRP 74 Cb -0.05 -1.61 -0.17 0.00 -0.81 0.00 0.00 33.47 30.83 1wfm s TRP 74 CO 0.00 0.28 -0.18 0.39 -0.51 0.00 0.00 176.95 176.93 1wfm n GLU 75 N -0.94 0.64 -2.81 4.98 1.02 -1.26 -4.70 120.64 117.57 1wfm n GLU 75 Ca -0.06 0.23 -0.21 0.00 -0.02 0.00 0.00 57.16 57.09 1wfm n GLU 75 Cb 0.67 -1.55 0.02 0.00 -0.02 0.00 0.00 31.44 30.57 1wfm n GLU 75 CO 0.00 0.00 0.00 -1.83 1.18 0.00 0.00 177.13 176.48 1wfm s GLU 76 N -2.51 2.77 0.44 3.49 -1.05 -1.26 -4.92 118.70 115.65 1wfm s GLU 76 Ca -0.34 -0.70 0.06 0.00 -0.15 0.00 0.00 54.97 53.83 1wfm s GLU 76 Cb 0.10 -2.54 -0.04 0.00 -0.44 0.00 0.00 34.13 31.21 1wfm s GLU 76 CO 0.58 -0.51 0.13 0.20 0.95 0.00 0.00 175.26 176.62 1wfm s GLY 77 N -4.34 2.50 -0.13 -3.83 0.00 -1.26 -4.78 107.32 95.48 1wfm s GLY 77 Ca 0.53 -1.79 -0.28 0.00 0.00 0.00 0.00 44.72 43.18 1wfm s GLY 77 CO 0.38 -2.01 0.94 1.08 0.00 0.00 0.00 173.10 173.48 1wfm s LEU 78 N -3.89 4.22 -0.14 0.66 1.43 -1.11 -4.80 118.68 115.05 1wfm s LEU 78 Ca 0.33 1.39 -0.03 0.00 -1.03 0.00 0.00 54.13 54.80 1wfm s LEU 78 Cb 0.04 -3.43 -0.02 0.00 0.03 0.00 0.00 46.19 42.81 1wfm s LEU 78 CO 0.18 -0.42 -0.06 -0.69 0.23 0.00 0.00 176.35 175.59 1wfm s VAL 79 N 2.04 3.69 -0.02 -1.59 1.01 -1.26 -0.56 120.40 123.71 1wfm s VAL 79 Ca 0.44 -0.44 0.00 0.00 0.00 0.00 0.00 61.98 61.99 1wfm s VAL 79 Cb -0.18 -2.59 0.03 0.00 0.00 0.00 0.00 36.38 33.64 1wfm s VAL 79 CO 0.16 0.51 0.01 -0.76 0.00 0.00 0.00 175.10 175.01 1wfm s LEU 80 N 0.28 1.22 -0.19 3.92 1.43 0.54 -4.58 118.68 121.30 1wfm s LEU 80 Ca -0.05 -0.00 -0.29 0.00 -1.03 0.00 0.00 54.13 52.76 1wfm s LEU 80 Cb -0.14 -0.15 -0.01 0.00 0.03 0.00 0.00 46.19 45.92 1wfm s LEU 80 CO 0.04 -0.10 1.29 -2.16 0.23 0.00 0.00 176.35 175.64 1wfm s PRO 81 N 0.92 4.17 -0.09 1.29 0.04 -1.26 0.25 135.00 140.32 1wfm s PRO 81 Ca -0.09 1.60 -0.05 0.00 0.04 0.00 0.00 61.00 62.51 1wfm s PRO 81 Cb -0.12 -3.80 0.04 0.00 0.04 0.00 0.00 34.50 30.66 1wfm s PRO 81 CO -0.02 -0.80 0.21 -1.17 0.04 0.00 0.00 177.00 175.26 1wfm s LEU 82 N 3.70 0.65 0.50 -3.56 1.98 0.13 -4.84 118.68 117.25 1wfm s LEU 82 Ca 0.56 0.44 -0.18 0.00 -2.89 0.00 0.00 54.13 52.06 1wfm s LEU 82 Cb -0.21 0.62 -0.08 0.00 0.66 0.00 0.00 46.19 47.18 1wfm s LEU 82 CO 0.17 -0.14 0.99 0.00 -1.89 0.00 0.00 176.35 175.48 1wfm s ALA 83 N 1.02 2.99 -0.12 5.97 0.00 -1.26 -3.86 121.76 126.50 1wfm s ALA 83 Ca -0.08 0.30 0.30 0.00 0.00 0.00 0.00 51.96 52.49 1wfm s ALA 83 Cb -0.09 -3.16 1.18 0.00 0.00 0.00 0.00 23.12 21.05 1wfm s ALA 83 CO -0.06 -0.24 1.88 1.49 0.00 0.00 0.00 175.76 178.82 1wfm h GLU 84 N 1.14 0.00 -0.00 0.00 4.81 -1.94 -1.63 114.58 116.96 1wfm h GLU 84 Ca -0.48 0.00 0.00 0.00 -0.13 0.00 0.00 59.36 58.75 1wfm h GLU 84 Cb 1.19 0.00 0.00 0.00 0.63 0.00 0.00 28.75 30.57 1wfm h GLU 84 CO 0.61 0.00 -0.15 -0.85 -0.73 0.00 0.00 179.01 177.89 1wfm n GLU 85 N -2.83 0.38 0.00 1.92 0.28 -1.26 -3.27 120.64 115.87 1wfm n GLU 85 Ca 0.01 -0.12 0.03 0.00 -0.16 0.00 0.00 57.16 56.92 1wfm n GLU 85 Cb 0.30 -1.50 -0.02 0.00 1.43 0.00 0.00 31.44 31.66 1wfm n GLU 85 CO 0.00 0.00 0.00 0.39 -0.16 0.00 0.00 177.13 177.36 1wfm n GLU 86 N -1.21 3.94 -0.32 3.44 1.02 -0.69 -4.62 120.64 122.20 1wfm n GLU 86 Ca 0.11 -0.20 0.03 0.00 -0.02 0.00 0.00 57.16 57.07 1wfm n GLU 86 Cb 0.30 -0.84 0.10 0.00 -0.02 0.00 0.00 31.44 30.98 1wfm n GLU 86 CO 0.00 0.00 0.00 -0.07 1.18 0.00 0.00 177.13 178.24 1wfm h LEU 87 N 0.29 -0.96 -0.65 -4.62 3.38 -1.35 2.58 115.31 113.97 1wfm h LEU 87 Ca 0.00 0.28 -0.06 0.00 0.09 0.00 0.00 57.88 58.18 1wfm h LEU 87 Cb 0.16 0.59 -0.01 0.00 0.09 0.00 0.00 40.66 41.50 1wfm h LEU 87 CO 0.00 -0.30 -0.29 1.55 0.09 0.00 0.00 178.44 179.49 1wfm h PRO 88 N -0.01 0.00 -0.64 1.13 0.13 -1.83 -2.57 132.00 128.20 1wfm h PRO 88 Ca 0.41 0.00 -0.29 0.00 -0.87 0.00 0.00 66.00 65.25 1wfm h PRO 88 Cb 0.65 0.00 -0.17 0.00 0.13 0.00 0.00 31.00 31.60 1wfm h PRO 88 CO -0.93 0.29 0.25 0.25 -0.23 0.00 0.00 178.00 177.63 1wfm n THR 89 N -3.31 2.83 -3.87 1.56 -2.24 0.52 -4.83 114.28 104.95 1wfm n THR 89 Ca 0.01 -2.18 -0.11 0.00 -2.27 0.00 0.00 64.05 59.50 1wfm n THR 89 Cb 0.54 -0.37 -0.10 0.00 -2.10 0.00 0.00 70.33 68.29 1wfm n THR 89 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 1wfm s ALA 90 N -3.18 -0.31 0.02 6.98 0.00 0.75 0.23 121.76 126.25 1wfm s ALA 90 Ca 0.51 -0.06 -0.03 0.00 0.00 0.00 0.00 51.96 52.37 1wfm s ALA 90 Cb 0.43 0.05 -0.01 0.00 0.00 0.00 0.00 23.12 23.59 1wfm s ALA 90 CO 0.07 -0.18 0.05 0.99 0.00 0.00 0.00 175.76 176.69 1wfm s THR 91 N -1.13 0.12 -0.05 0.00 2.01 -1.18 -4.02 115.64 111.40 1wfm s THR 91 Ca -0.12 -1.00 -0.00 0.00 0.31 0.00 0.00 61.69 60.87 1wfm s THR 91 Cb -0.07 -0.61 -0.03 0.00 0.01 0.00 0.00 72.50 71.80 1wfm s THR 91 CO 0.01 -0.55 0.00 -0.22 -0.69 0.00 0.00 174.62 173.17 1wfm s LEU 92 N -1.78 3.55 -0.27 4.42 1.98 -1.23 -1.36 118.68 123.99 1wfm s LEU 92 Ca -0.10 0.07 -0.00 0.00 -2.89 0.00 0.00 54.13 51.21 1wfm s LEU 92 Cb -0.05 -1.92 0.08 0.00 0.66 0.00 0.00 46.19 44.96 1wfm s LEU 92 CO -0.02 0.33 0.03 -0.89 -1.89 0.00 0.00 176.35 173.91 1wfm s THR 93 N -0.98 1.18 0.28 3.68 2.01 0.29 -1.64 115.64 120.46 1wfm s THR 93 Ca 0.16 -1.28 -0.29 0.00 0.31 0.00 0.00 61.69 60.60 1wfm s THR 93 Cb -0.11 -1.70 -0.09 0.00 0.01 0.00 0.00 72.50 70.61 1wfm s THR 93 CO 0.06 -0.38 1.02 -0.76 -0.69 0.00 0.00 174.62 173.87 1wfm s LEU 94 N 1.51 4.55 -0.11 4.42 1.02 0.44 -1.95 118.68 128.55 1wfm s LEU 94 Ca 0.03 2.10 -0.09 0.00 0.02 0.00 0.00 54.13 56.19 1wfm s LEU 94 Cb -0.18 -3.69 0.04 0.00 0.02 0.00 0.00 46.19 42.38 1wfm s LEU 94 CO -0.14 -0.04 0.29 -0.89 0.02 0.00 0.00 176.35 175.59 1wfm s THR 95 N -1.24 -0.01 -0.49 5.49 2.01 0.89 0.23 115.64 122.52 1wfm s THR 95 Ca 0.44 0.04 -0.08 0.00 0.31 0.00 0.00 61.69 62.41 1wfm s THR 95 Cb -0.28 -0.42 0.13 0.00 0.01 0.00 0.00 72.50 71.94 1wfm s THR 95 CO 0.35 0.02 0.36 -0.22 -0.69 0.00 0.00 174.62 174.44 1wfm s LEU 96 N 0.54 5.66 0.24 4.42 2.96 0.37 -0.02 118.68 132.85 1wfm s LEU 96 Ca -0.03 -2.05 0.01 0.00 -0.22 0.00 0.00 54.13 51.84 1wfm s LEU 96 Cb -0.05 -1.98 -0.04 0.00 0.50 0.00 0.00 46.19 44.62 1wfm s LEU 96 CO -0.03 -0.64 0.41 -0.13 -1.32 0.00 0.00 176.35 174.64 1wfm s ARG 97 N 1.15 3.49 0.03 1.98 3.00 -1.10 0.15 118.95 127.65 1wfm s ARG 97 Ca 0.08 -0.44 0.01 0.00 0.00 0.00 0.00 55.73 55.37 1wfm s ARG 97 Cb -0.24 -2.82 -0.04 0.00 0.00 0.00 0.00 34.95 31.85 1wfm s ARG 97 CO -0.02 0.36 0.10 0.95 0.00 0.00 0.00 175.30 176.69 1wfm s THR 98 N -1.98 4.76 0.76 0.02 -4.23 -1.26 -2.59 115.64 111.12 1wfm s THR 98 Ca 0.38 -0.50 -0.17 0.00 -1.18 0.00 0.00 61.69 60.21 1wfm s THR 98 Cb -0.10 -3.23 -0.12 0.00 1.34 0.00 0.00 72.50 70.39 1wfm s THR 98 CO 0.30 0.26 -0.22 0.00 -0.54 0.00 0.00 174.62 174.43 1wfm n ASP 100 N 2.10 1.77 0.08 0.00 -0.08 -1.26 -4.64 116.55 114.51 1wfm n ASP 100 Ca 0.05 0.28 0.00 0.00 -1.51 0.00 0.00 54.79 53.60 1wfm n ASP 100 Cb 0.51 -1.23 0.00 0.00 2.34 0.00 0.00 41.12 42.75 1wfm n ASP 100 CO 0.00 0.00 0.00 -1.14 0.12 0.00 0.00 177.20 176.18 1wfm n ARG 101 N 8.29 0.00 0.00 -0.67 3.00 -1.26 -5.01 116.66 121.01 1wfm n ARG 101 Ca 0.45 0.00 0.00 0.00 -0.00 0.00 0.00 57.85 58.30 1wfm n ARG 101 Cb 0.22 -0.31 0.00 0.00 0.00 0.00 0.00 32.46 32.37 1wfm n ARG 101 CO 0.00 0.00 0.00 1.19 0.00 0.00 0.00 177.63 178.82 1wfm n PHE 102 N -3.40 0.00 -2.73 -0.14 3.72 -1.26 -5.06 117.46 108.59 1wfm n PHE 102 Ca 0.00 0.00 -0.08 0.00 -0.05 0.00 0.00 57.45 57.32 1wfm n PHE 102 Cb 0.05 0.14 0.03 0.00 -0.94 0.00 0.00 39.48 38.76 1wfm n PHE 102 CO 0.00 0.00 0.00 0.45 -0.05 0.00 0.00 176.76 177.16 1wfm n SER 103 N -2.15 -2.81 -2.11 4.37 2.88 -1.26 -4.91 113.62 107.62 1wfm n SER 103 Ca 0.00 -0.23 -0.16 0.00 -1.33 0.00 0.00 58.87 57.15 1wfm n SER 103 Cb 0.16 -2.30 -0.10 0.00 -0.75 0.00 0.00 64.21 61.22 1wfm n SER 103 CO 0.00 0.00 0.00 0.54 -1.23 0.00 0.00 175.04 174.35 1wfm n ARG 104 N -2.25 2.03 -0.95 -1.46 1.74 -1.26 -4.96 116.66 109.56 1wfm n ARG 104 Ca -0.06 -1.41 0.12 0.00 -0.77 0.00 0.00 57.85 55.73 1wfm n ARG 104 Cb 0.55 -1.93 -0.03 0.00 -1.02 0.00 0.00 32.46 30.02 1wfm n ARG 104 CO 0.00 0.00 0.00 0.72 -1.52 0.00 0.00 177.63 176.83 1wfm n HIS 105 N 1.70 -2.23 -0.77 -1.55 8.25 -1.26 -4.51 115.22 114.85 1wfm n HIS 105 Ca 0.40 1.13 0.10 0.00 -0.26 0.00 0.00 57.72 59.09 1wfm n HIS 105 Cb 0.73 -2.02 -0.03 0.00 1.12 0.00 0.00 29.99 29.79 1wfm n HIS 105 CO 0.00 0.00 0.00 0.43 0.64 0.00 0.00 176.34 177.41 1wfm n SER 106 N -4.32 -4.55 -4.25 0.41 7.64 -1.26 -4.92 113.62 102.36 1wfm n SER 106 Ca -0.00 0.32 -0.14 0.00 1.01 0.00 0.00 58.87 60.05 1wfm n SER 106 Cb 0.61 -2.32 -0.10 0.00 -1.01 0.00 0.00 64.21 61.38 1wfm n SER 106 CO 0.00 0.00 0.00 0.68 -3.01 0.00 0.00 175.04 172.71 1wfm s VAL 107 N -1.71 0.41 -1.01 0.44 -7.23 -1.26 -5.01 120.40 105.02 1wfm s VAL 107 Ca 0.00 -1.98 0.18 0.00 -1.81 0.00 0.00 61.98 58.37 1wfm s VAL 107 Cb 0.00 -2.39 0.16 0.00 0.56 0.00 0.00 36.38 34.70 1wfm s VAL 107 CO 0.00 -0.19 1.58 0.00 -0.31 0.00 0.00 175.10 176.19 1wfm n ALA 108 N -0.32 1.84 0.00 1.32 0.00 0.40 -4.69 120.51 119.07 1wfm n ALA 108 Ca -0.02 -0.06 0.00 0.00 0.00 0.00 0.00 53.44 53.36 1wfm n ALA 108 Cb 0.65 -1.30 0.00 0.00 0.00 0.00 0.00 19.45 18.80 1wfm n ALA 108 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1wfm n GLY 109 N 0.38 3.27 3.44 0.00 0.00 -1.16 -4.76 105.19 106.36 1wfm n GLY 109 Ca 0.05 -0.06 -0.32 0.00 0.00 0.00 0.00 46.02 45.68 1wfm n GLY 109 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 1wfm s GLU 110 N -0.52 2.38 -0.22 1.61 2.12 -1.26 0.14 118.70 122.95 1wfm s GLU 110 Ca 0.00 -0.77 -0.00 0.00 0.36 0.00 0.00 54.97 54.56 1wfm s GLU 110 Cb 0.00 -2.28 0.06 0.00 0.26 0.00 0.00 34.13 32.16 1wfm s GLU 110 CO 0.00 0.60 -0.03 -1.17 -0.54 0.00 0.00 175.26 174.12 1wfm s LEU 111 N -0.76 2.19 0.30 2.70 1.98 0.63 0.20 118.68 125.92 1wfm s LEU 111 Ca 0.11 -1.06 -0.27 0.00 -2.89 0.00 0.00 54.13 50.03 1wfm s LEU 111 Cb -0.10 -1.03 -0.10 0.00 0.66 0.00 0.00 46.19 45.62 1wfm s LEU 111 CO 0.00 -0.25 0.93 -0.60 -1.89 0.00 0.00 176.35 174.55 1wfm s ARG 112 N 1.52 4.63 0.27 1.98 6.06 -1.26 0.17 118.95 132.32 1wfm s ARG 112 Ca -0.04 1.34 -0.03 0.00 -2.50 0.00 0.00 55.73 54.50 1wfm s ARG 112 Cb -0.18 -2.92 -0.02 0.00 0.06 0.00 0.00 34.95 31.89 1wfm s ARG 112 CO -0.07 0.34 0.35 -0.51 -2.50 0.00 0.00 175.30 172.91 1wfm s LEU 113 N -1.84 0.98 0.01 -0.88 1.43 -0.65 -4.91 118.68 112.83 1wfm s LEU 113 Ca 0.48 -1.36 0.02 0.00 -1.03 0.00 0.00 54.13 52.24 1wfm s LEU 113 Cb -0.20 1.09 -0.01 0.00 0.03 0.00 0.00 46.19 47.10 1wfm s LEU 113 CO 0.25 -1.09 -0.08 -0.83 0.23 0.00 0.00 176.35 174.84 1wfm s GLY 114 N -3.18 0.41 -0.23 -3.19 0.00 -1.26 -3.56 107.32 96.30 1wfm s GLY 114 Ca 0.32 -0.45 0.04 0.00 0.00 0.00 0.00 44.72 44.64 1wfm s GLY 114 CO 0.16 -0.42 -0.11 1.04 0.00 0.00 0.00 173.10 173.77 1wfm n LEU 115 N 2.49 2.48 -0.49 0.66 4.77 -1.26 -4.22 117.00 121.43 1wfm n LEU 115 Ca -0.16 -0.07 0.43 0.00 -0.03 0.00 0.00 56.01 56.18 1wfm n LEU 115 Cb 0.57 -0.71 0.71 0.00 -2.33 0.00 0.00 43.42 41.66 1wfm n LEU 115 CO 0.24 0.86 1.40 -2.24 -1.33 0.00 0.00 177.39 176.31 1wfm h ASP 116 N 0.01 0.00 0.00 -1.43 2.03 -1.65 -3.43 116.42 111.95 1wfm h ASP 116 Ca -0.55 0.00 0.00 0.00 -0.73 0.00 0.00 57.03 55.75 1wfm h ASP 116 Cb 1.97 0.00 0.00 0.00 -0.83 0.00 0.00 39.33 40.47 1wfm h ASP 116 CO -0.05 0.00 0.00 0.61 -1.03 0.00 0.00 179.24 178.77 1wfm n GLY 117 N -1.83 1.13 0.00 7.15 0.00 -1.26 -4.87 105.19 105.51 1wfm n GLY 117 Ca 0.35 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.37 1wfm n GLY 117 CO 0.00 0.00 0.00 2.41 0.00 0.00 0.00 173.32 175.73 1wfm n THR 118 N -0.11 0.00 -0.09 2.61 -1.04 -1.26 -4.81 114.28 109.57 1wfm n THR 118 Ca 0.00 0.00 -0.02 0.00 -2.04 0.00 0.00 64.05 61.99 1wfm n THR 118 Cb 0.00 -0.50 -0.02 0.00 -1.82 0.00 0.00 70.33 67.99 1wfm n THR 118 CO 0.00 0.00 0.00 -1.20 -0.64 0.00 0.00 175.07 173.23 1wfm n SER 119 N -0.78 -0.24 -4.20 8.00 7.64 -1.26 -4.45 113.62 118.33 1wfm n SER 119 Ca 0.00 1.13 -0.28 0.00 1.01 0.00 0.00 58.87 60.73 1wfm n SER 119 Cb 0.00 -0.41 -0.16 0.00 -1.01 0.00 0.00 64.21 62.63 1wfm n SER 119 CO 0.00 0.00 0.00 0.68 -3.01 0.00 0.00 175.04 172.71 1wfm s VAL 120 N -3.58 1.64 0.94 0.44 -7.23 -1.26 -4.95 120.40 106.40 1wfm s VAL 120 Ca -0.03 -0.86 -0.13 0.00 -1.81 0.00 0.00 61.98 59.15 1wfm s VAL 120 Cb 0.02 -1.38 0.16 0.00 0.56 0.00 0.00 36.38 35.74 1wfm s VAL 120 CO 0.14 0.46 1.15 -2.16 -0.31 0.00 0.00 175.10 174.38 1wfm s PRO 121 N -0.26 0.91 0.22 4.82 0.04 -1.26 -4.52 135.00 134.94 1wfm s PRO 121 Ca 0.02 0.20 0.00 0.00 0.04 0.00 0.00 61.00 61.27 1wfm s PRO 121 Cb -0.10 -1.82 -0.04 0.00 0.04 0.00 0.00 34.50 32.58 1wfm s PRO 121 CO 0.01 -2.34 0.39 -0.51 0.04 0.00 0.00 177.00 174.59 1wfm s LEU 122 N -6.09 4.22 -1.58 -3.56 1.43 -1.26 -4.17 118.68 107.67 1wfm s LEU 122 Ca 0.65 0.34 0.00 0.00 -1.03 0.00 0.00 54.13 54.09 1wfm s LEU 122 Cb -0.13 -3.12 0.00 0.00 0.03 0.00 0.00 46.19 42.97 1wfm s LEU 122 CO 0.53 -0.07 0.00 0.61 0.23 0.00 0.00 176.35 177.66 1wfm n GLY 123 N -0.87 1.42 2.83 -3.19 0.00 0.57 -4.90 105.19 101.06 1wfm n GLY 123 Ca -0.05 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.66 1wfm n GLY 123 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1wfm s ALA 124 N -2.25 1.91 0.34 4.61 0.00 -1.25 -5.02 121.76 120.11 1wfm s ALA 124 Ca 0.00 -1.80 -0.29 0.00 0.00 0.00 0.00 51.96 49.87 1wfm s ALA 124 Cb 0.00 -1.66 -0.10 0.00 0.00 0.00 0.00 23.12 21.35 1wfm s ALA 124 CO 0.00 -1.59 1.36 0.00 0.00 0.00 0.00 175.76 175.53 1wfm s ALA 125 N 1.42 3.53 0.25 0.00 0.00 -1.26 -4.46 121.76 121.23 1wfm s ALA 125 Ca 0.08 1.34 0.01 0.00 0.00 0.00 0.00 51.96 53.39 1wfm s ALA 125 Cb -0.18 -3.52 -0.05 0.00 0.00 0.00 0.00 23.12 19.38 1wfm s ALA 125 CO -0.18 -0.75 0.09 -0.65 0.00 0.00 0.00 175.76 174.28 1wfm s GLN 126 N -1.75 1.37 -0.54 0.00 -1.52 -0.91 -5.01 119.66 111.30 1wfm s GLN 126 Ca 0.51 -1.73 0.04 0.00 -1.95 0.00 0.00 55.36 52.22 1wfm s GLN 126 Cb -0.41 -0.24 0.14 0.00 -0.22 0.00 0.00 33.01 32.27 1wfm s GLN 126 CO 0.55 -0.28 0.29 -1.58 -0.25 0.00 0.00 175.29 174.02 1wfm s TRP 127 N -3.76 3.23 0.45 0.91 0.52 -1.26 -2.97 118.94 116.06 1wfm s TRP 127 Ca 0.36 -3.15 -0.03 0.00 0.02 0.00 0.00 56.10 53.29 1wfm s TRP 127 Cb 0.08 -2.84 -0.03 0.00 -1.15 0.00 0.00 33.47 29.52 1wfm s TRP 127 CO 0.12 -0.74 0.73 0.20 0.02 0.00 0.00 176.95 177.29 1wfm s GLY 128 N -0.30 1.47 -0.19 0.98 0.00 -1.11 -4.90 107.32 103.28 1wfm s GLY 128 Ca 0.18 -0.67 -0.04 0.00 0.00 0.00 0.00 44.72 44.19 1wfm s GLY 128 CO -0.01 -0.52 -0.02 -0.54 0.00 0.00 0.00 173.10 172.01 1wfm s GLU 129 N -4.64 3.60 0.20 2.90 2.02 -1.26 -0.10 118.70 121.42 1wfm s GLU 129 Ca 0.46 -0.54 -0.33 0.00 0.02 0.00 0.00 54.97 54.59 1wfm s GLU 129 Cb -0.10 -3.00 -0.13 0.00 0.10 0.00 0.00 34.13 30.99 1wfm s GLU 129 CO 0.42 0.07 1.58 1.28 0.02 0.00 0.00 175.26 178.63 1wfm n LEU 130 N 4.05 3.42 -3.30 1.80 4.77 0.56 -4.81 117.00 123.49 1wfm n LEU 130 Ca -0.17 1.10 -0.38 0.00 -0.03 0.00 0.00 56.01 56.53 1wfm n LEU 130 Cb 0.52 -1.48 -0.01 0.00 -2.33 0.00 0.00 43.42 40.13 1wfm n LEU 130 CO 0.32 -0.18 1.96 0.29 -1.33 0.00 0.00 177.39 178.45 1wfm n LYS 131 N 3.11 4.27 -1.40 3.23 4.76 0.55 -4.55 118.16 128.13 1wfm n LYS 131 Ca 0.15 -3.55 -0.34 0.00 -2.87 0.00 0.00 58.31 51.69 1wfm n LYS 131 Cb 0.31 -2.48 -0.16 0.00 -1.84 0.00 0.00 35.03 30.87 1wfm n LYS 131 CO 0.00 0.00 0.00 0.25 -1.37 0.00 0.00 177.40 176.28 1wfm n THR 132 N 0.98 0.00 -3.65 -0.18 -2.24 -1.26 -4.19 114.28 103.74 1wfm n THR 132 Ca 0.56 -0.11 -0.01 0.00 -2.27 0.00 0.00 64.05 62.22 1wfm n THR 132 Cb 0.30 -0.36 -0.06 0.00 -2.10 0.00 0.00 70.33 68.11 1wfm n THR 132 CO 0.00 0.00 0.00 -0.55 -0.57 0.00 0.00 175.07 173.95 1wfm s SER 133 N 6.48 -0.15 0.10 3.42 0.15 -1.26 -4.99 113.70 117.44 1wfm s SER 133 Ca 1.26 0.25 -0.25 0.00 0.70 0.00 0.00 55.95 57.91 1wfm s SER 133 Cb -1.09 0.75 0.07 0.00 -1.71 0.00 0.00 66.02 64.05 1wfm s SER 133 CO 0.47 -0.04 0.65 -0.83 1.20 0.00 0.00 173.24 174.69 1wfm s GLY 134 N 0.71 -0.59 -0.79 9.45 0.00 -1.26 -4.82 107.32 110.02 1wfm s GLY 134 Ca -0.03 0.74 -0.06 0.00 0.00 0.00 0.00 44.72 45.37 1wfm s GLY 134 CO -0.12 0.36 2.61 -1.55 0.00 0.00 0.00 173.10 174.40 1wfm n PRO 135 N -0.07 2.33 -1.39 2.90 -0.04 -1.26 -4.92 135.00 132.54 1wfm n PRO 135 Ca -0.17 -1.41 -0.43 0.00 -0.04 0.00 0.00 63.50 61.45 1wfm n PRO 135 Cb 0.63 -2.34 -0.01 0.00 -0.04 0.00 0.00 33.50 31.74 1wfm n PRO 135 CO 0.00 0.00 0.00 0.45 -0.04 0.00 0.00 175.50 175.91 1wfm n SER 136 N 3.47 -1.61 -3.57 3.54 2.88 -1.26 -4.86 113.62 112.21 1wfm n SER 136 Ca 0.50 0.94 -0.07 0.00 -1.33 0.00 0.00 58.87 58.91 1wfm n SER 136 Cb 0.36 -1.00 -0.03 0.00 -0.75 0.00 0.00 64.21 62.79 1wfm n SER 136 CO 0.00 0.00 0.00 -0.94 -1.23 0.00 0.00 175.04 172.87 1wfm s SER 137 N -0.96 -0.25 0.00 -3.46 1.04 -1.26 -5.06 113.70 103.75 1wfm s SER 137 Ca 0.62 0.09 0.00 0.00 0.48 0.00 0.00 55.95 57.14 1wfm s SER 137 Cb -0.70 0.25 0.00 0.00 0.10 0.00 0.00 66.02 65.67 1wfm s SER 137 CO 0.60 -0.36 0.00 0.61 0.98 0.00 0.00 173.24 175.06