#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 0.00 -1.07 1.61 2.88 -1.26 -5.16 113.62 110.62 1wfm n SER 2 Ca 0.00 0.00 0.13 0.00 -1.33 0.00 0.00 58.87 57.67 1wfm n SER 2 Cb 0.00 0.00 -0.07 0.00 -0.75 0.00 0.00 64.21 63.39 1wfm n SER 2 CO 0.00 0.00 0.00 -1.20 -1.23 0.00 0.00 175.04 172.61 1wfm n SER 3 N 0.00 -5.97 0.00 -3.46 7.64 -1.26 -5.08 113.62 105.49 1wfm n SER 3 Ca 0.00 1.00 0.00 0.00 1.01 0.00 0.00 58.87 60.88 1wfm n SER 3 Cb 0.00 -3.63 0.00 0.00 -1.01 0.00 0.00 64.21 59.57 1wfm n SER 3 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 1wfm n GLY 4 N -3.77 3.84 3.64 0.23 0.00 -1.26 -5.18 105.19 102.70 1wfm n GLY 4 Ca -0.06 -0.75 -0.08 0.00 0.00 0.00 0.00 46.02 45.13 1wfm n GLY 4 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1wfm s SER 5 N 1.72 -0.50 -0.07 1.61 0.01 -1.26 -5.18 113.70 110.03 1wfm s SER 5 Ca 0.00 0.92 -0.32 0.00 1.31 0.00 0.00 55.95 57.86 1wfm s SER 5 Cb 0.00 1.00 0.14 0.00 0.21 0.00 0.00 66.02 67.37 1wfm s SER 5 CO 0.00 -0.16 1.40 -0.94 0.41 0.00 0.00 173.24 173.95 1wfm s SER 6 N 0.51 -0.02 -0.00 2.44 1.04 -1.26 -5.19 113.70 111.22 1wfm s SER 6 Ca 0.00 -0.04 -0.19 0.00 0.48 0.00 0.00 55.95 56.20 1wfm s SER 6 Cb -0.05 0.05 0.06 0.00 0.10 0.00 0.00 66.02 66.19 1wfm s SER 6 CO -0.08 -0.09 0.85 0.61 0.98 0.00 0.00 173.24 175.51 1wfm n GLY 7 N -0.50 0.40 3.59 7.32 0.00 -1.26 -5.19 105.19 109.55 1wfm n GLY 7 Ca -0.09 -0.99 -0.05 0.00 0.00 0.00 0.00 46.02 44.89 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 -2.89 -0.17 0.29 1.61 0.01 -1.26 -5.09 113.70 106.19 1wfm s SER 8 Ca 0.20 0.03 0.00 0.00 1.31 0.00 0.00 55.95 57.49 1wfm s SER 8 Cb -0.01 0.17 0.00 0.00 0.21 0.00 0.00 66.02 66.40 1wfm s SER 8 CO -0.00 -0.27 0.00 0.79 0.41 0.00 0.00 173.24 174.17 1wfm n TRP 9 N -0.02 -3.56 -0.76 2.43 5.03 -1.26 -5.13 117.44 114.17 1wfm n TRP 9 Ca -0.01 0.93 -0.32 0.00 3.03 0.00 0.00 57.50 61.12 1wfm n TRP 9 Cb 0.59 2.42 0.12 0.00 -1.03 0.00 0.00 31.31 33.40 1wfm n TRP 9 CO 0.00 0.00 0.00 0.09 -0.03 0.00 0.00 177.69 177.75 1wfm n ASN 10 N -3.12 -2.64 -3.92 -0.99 4.13 -1.26 -4.80 115.26 102.66 1wfm n ASN 10 Ca 0.00 -0.12 -0.36 0.00 1.68 0.00 0.00 54.58 55.79 1wfm n ASN 10 Cb 0.00 -0.77 0.03 0.00 -1.54 0.00 0.00 39.78 37.50 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 -0.44 0.00 -3.23 3.52 1.13 -1.26 -4.92 117.38 112.18 1wfm n GLN 11 Ca 0.00 0.00 -0.30 0.00 -1.94 0.00 0.00 57.00 54.76 1wfm n GLN 11 Cb 0.62 -0.96 -0.04 0.00 0.11 0.00 0.00 30.24 29.97 1wfm n GLN 11 CO 0.00 0.00 0.00 0.00 -1.44 0.00 0.00 177.06 175.62 1wfm s ALA 12 N -1.93 3.53 -0.10 -1.58 0.00 -1.26 -4.90 121.76 115.53 1wfm s ALA 12 Ca 0.43 -0.39 -0.30 0.00 0.00 0.00 0.00 51.96 51.71 1wfm s ALA 12 Cb -0.26 -2.45 -0.03 0.00 0.00 0.00 0.00 23.12 20.39 1wfm s ALA 12 CO 0.75 0.24 1.24 -1.25 0.00 0.00 0.00 175.76 176.75 1wfm s PRO 13 N -3.45 4.29 0.02 0.00 0.04 -1.26 -4.77 135.00 129.87 1wfm s PRO 13 Ca 0.47 1.69 0.03 0.00 0.04 0.00 0.00 61.00 63.23 1wfm s PRO 13 Cb -0.11 -3.65 -0.04 0.00 0.04 0.00 0.00 34.50 30.75 1wfm s PRO 13 CO 0.28 -0.57 -0.04 0.15 0.04 0.00 0.00 177.00 176.86 1wfm s LYS 14 N 2.79 2.58 -0.07 4.56 1.02 -0.47 0.50 119.74 130.65 1wfm s LYS 14 Ca 0.56 -0.74 -0.03 0.00 0.02 0.00 0.00 55.97 55.79 1wfm s LYS 14 Cb -0.24 -2.53 0.04 0.00 -0.52 0.00 0.00 37.83 34.57 1wfm s LYS 14 CO 0.19 0.59 0.07 -1.17 -0.92 0.00 0.00 175.35 174.11 1wfm s LEU 15 N -1.66 0.17 0.14 3.17 2.96 -0.17 0.11 118.68 123.41 1wfm s LEU 15 Ca 0.19 -0.04 -0.20 0.00 -0.22 0.00 0.00 54.13 53.87 1wfm s LEU 15 Cb -0.11 -0.14 -0.07 0.00 0.50 0.00 0.00 46.19 46.36 1wfm s LEU 15 CO 0.10 -0.27 0.64 -2.28 -1.32 0.00 0.00 176.35 173.23 1wfm s HIS 16 N 2.17 3.75 -0.26 5.38 5.65 -0.78 -3.11 115.29 128.09 1wfm s HIS 16 Ca 0.04 1.33 -0.23 0.00 0.25 0.00 0.00 55.06 56.45 1wfm s HIS 16 Cb -0.13 -2.55 0.07 0.00 -1.18 0.00 0.00 32.58 28.79 1wfm s HIS 16 CO -0.04 0.49 0.70 1.52 -0.65 0.00 0.00 174.74 176.75 1wfm s TYR 17 N -1.28 -0.80 -0.32 3.88 1.13 -0.76 -3.06 117.35 116.14 1wfm s TYR 17 Ca 0.35 1.90 -0.03 0.00 -1.41 0.00 0.00 57.07 57.89 1wfm s TYR 17 Cb -0.19 0.30 0.05 0.00 -1.10 0.00 0.00 41.96 41.03 1wfm s TYR 17 CO 0.21 -0.39 0.04 0.00 -2.51 0.00 0.00 175.55 172.90 1wfm s LEU 19 N 1.27 4.13 -0.20 0.00 2.01 -1.26 -1.55 118.68 123.08 1wfm s LEU 19 Ca -0.03 1.16 -0.04 0.00 0.01 0.00 0.00 54.13 55.23 1wfm s LEU 19 Cb -0.20 -3.27 0.10 0.00 0.01 0.00 0.00 46.19 42.83 1wfm s LEU 19 CO -0.01 -0.49 0.26 -0.62 1.01 0.00 0.00 176.35 176.51 1wfm s ASP 20 N 1.23 0.98 0.01 2.29 -1.08 -0.63 0.19 116.67 119.65 1wfm s ASP 20 Ca 0.38 -0.01 -0.09 0.00 -0.52 0.00 0.00 52.55 52.31 1wfm s ASP 20 Cb -0.16 0.60 -0.05 0.00 -1.46 0.00 0.00 42.92 41.85 1wfm s ASP 20 CO 0.10 -0.31 0.31 -0.47 0.52 0.00 0.00 175.17 175.31 1wfm s TYR 21 N 2.39 3.60 -0.56 -5.34 5.04 -1.26 -1.62 117.35 119.61 1wfm s TYR 21 Ca 0.08 0.68 0.04 0.00 -2.44 0.00 0.00 57.07 55.42 1wfm s TYR 21 Cb -0.15 -2.07 0.15 0.00 0.35 0.00 0.00 41.96 40.24 1wfm s TYR 21 CO -0.12 0.61 0.34 0.34 -1.34 0.00 0.00 175.55 175.38 1wfm s ASP 22 N -1.55 4.13 0.48 4.32 -1.08 -1.16 -4.93 116.67 116.88 1wfm s ASP 22 Ca 0.27 -3.23 0.38 0.00 -0.52 0.00 0.00 52.55 49.45 1wfm s ASP 22 Cb -0.14 -1.42 1.57 0.00 -1.46 0.00 0.00 42.92 41.48 1wfm s ASP 22 CO 0.15 -0.18 1.59 0.00 0.52 0.00 0.00 175.17 177.25 1wfm h GLN 24 N 0.02 0.14 0.00 0.00 4.20 -1.97 -2.20 115.11 115.31 1wfm h GLN 24 Ca 0.89 -0.01 0.00 0.00 0.06 0.00 0.00 58.65 59.59 1wfm h GLN 24 Cb 3.10 -0.03 0.00 0.00 0.30 0.00 0.00 27.48 30.85 1wfm h GLN 24 CO -0.30 0.09 -0.59 1.63 -0.67 0.00 0.00 178.83 178.99 1wfm n LYS 25 N -5.04 0.11 -3.98 1.46 5.02 0.65 -4.94 118.16 111.43 1wfm n LYS 25 Ca -0.03 0.02 -0.32 0.00 -2.02 0.00 0.00 58.31 55.96 1wfm n LYS 25 Cb 0.06 -1.56 0.01 0.00 -0.02 0.00 0.00 35.03 33.53 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 -1.62 -1.29 -3.34 7.82 0.00 0.68 -4.87 120.51 117.89 1wfm n ALA 26 Ca 0.05 0.15 -0.14 0.00 0.00 0.00 0.00 53.44 53.49 1wfm n ALA 26 Cb 0.37 -4.25 -0.15 0.00 0.00 0.00 0.00 19.45 15.42 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 -6.69 0.07 0.22 0.00 2.02 -1.24 0.10 118.70 113.18 1wfm s GLU 27 Ca 0.67 0.07 -0.24 0.00 0.02 0.00 0.00 54.97 55.49 1wfm s GLU 27 Cb -0.34 -0.21 -0.08 0.00 0.10 0.00 0.00 34.13 33.59 1wfm s GLU 27 CO 0.85 -0.08 0.81 -1.17 0.02 0.00 0.00 175.26 175.69 1wfm s LEU 28 N 0.56 4.49 0.01 1.80 1.98 0.69 -2.96 118.68 125.25 1wfm s LEU 28 Ca -0.05 1.65 0.08 0.00 -2.89 0.00 0.00 54.13 52.93 1wfm s LEU 28 Cb -0.07 -3.53 -0.02 0.00 0.66 0.00 0.00 46.19 43.22 1wfm s LEU 28 CO -0.01 0.11 -0.26 -0.36 -1.89 0.00 0.00 176.35 173.94 1wfm s PHE 29 N -1.33 2.27 -0.56 5.38 0.40 -0.64 0.10 117.98 123.61 1wfm s PHE 29 Ca 0.41 -0.42 0.06 0.00 -0.60 0.00 0.00 56.93 56.38 1wfm s PHE 29 Cb -0.21 -1.42 0.23 0.00 0.51 0.00 0.00 43.02 42.13 1wfm s PHE 29 CO 0.25 0.03 0.60 0.28 0.70 0.00 0.00 175.22 177.08 1wfm n VAL 30 N 2.16 1.02 -1.39 -0.44 0.31 0.64 -1.61 118.33 119.02 1wfm n VAL 30 Ca -0.16 -4.64 0.00 0.00 -0.01 0.00 0.00 64.34 59.52 1wfm n VAL 30 Cb 0.52 -2.03 0.00 0.00 -0.91 0.00 0.00 33.84 31.42 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 1.38 0.00 -3.42 2.52 -2.24 -0.59 -1.61 114.28 110.31 1wfm n THR 31 Ca 0.26 0.00 -0.18 0.00 -2.27 0.00 0.00 64.05 61.86 1wfm n THR 31 Cb 0.44 -1.75 0.03 0.00 -2.10 0.00 0.00 70.33 66.95 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 -0.89 -1.50 -3.27 -0.78 5.12 -1.26 0.19 116.66 114.26 1wfm n ARG 32 Ca 0.00 0.89 -0.40 0.00 -1.93 0.00 0.00 57.85 56.41 1wfm n ARG 32 Cb 0.00 -4.70 -0.08 0.00 -1.16 0.00 0.00 32.46 26.52 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 -5.30 4.21 -0.38 0.55 2.01 -1.25 -1.83 118.68 116.68 1wfm s LEU 33 Ca 0.26 0.18 0.02 0.00 0.01 0.00 0.00 54.13 54.61 1wfm s LEU 33 Cb -0.07 -2.57 0.15 0.00 0.01 0.00 0.00 46.19 43.71 1wfm s LEU 33 CO 0.81 -0.36 0.33 -1.61 1.01 0.00 0.00 176.35 176.52 1wfm s GLU 34 N 2.30 0.66 0.08 1.70 2.02 -1.17 -2.53 118.70 121.76 1wfm s GLU 34 Ca 0.18 -1.20 -0.31 0.00 0.02 0.00 0.00 54.97 53.67 1wfm s GLU 34 Cb -0.16 -0.99 -0.07 0.00 0.10 0.00 0.00 34.13 33.02 1wfm s GLU 34 CO 0.11 -1.23 1.29 0.00 0.02 0.00 0.00 175.26 175.45 1wfm s ALA 35 N 1.10 3.49 -0.73 5.21 0.00 -0.98 -1.87 121.76 127.97 1wfm s ALA 35 Ca 0.20 0.97 0.04 0.00 0.00 0.00 0.00 51.96 53.17 1wfm s ALA 35 Cb -0.15 -3.49 0.20 0.00 0.00 0.00 0.00 23.12 19.67 1wfm s ALA 35 CO -0.03 -0.53 0.61 0.28 0.00 0.00 0.00 175.76 176.09 1wfm n VAL 36 N 3.96 2.09 -4.00 0.00 0.31 0.31 -2.22 118.33 118.78 1wfm n VAL 36 Ca 0.10 -5.01 -0.31 0.00 -0.01 0.00 0.00 64.34 59.12 1wfm n VAL 36 Cb 0.44 -2.20 -0.15 0.00 -0.91 0.00 0.00 33.84 31.03 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 -1.70 2.35 0.15 2.52 -4.23 -1.25 -1.37 115.64 112.11 1wfm s THR 37 Ca 0.28 -2.60 -0.31 0.00 -1.18 0.00 0.00 61.69 57.89 1wfm s THR 37 Cb -0.01 -2.71 -0.08 0.00 1.34 0.00 0.00 72.50 71.05 1wfm s THR 37 CO -0.13 -0.65 1.53 -1.28 -0.54 0.00 0.00 174.62 173.55 1wfm h SER 38 N 7.32 -2.08 0.00 3.99 0.87 -1.87 -3.41 113.55 118.37 1wfm h SER 38 Ca -0.05 0.31 0.00 0.00 -1.23 0.00 0.00 61.79 60.82 1wfm h SER 38 Cb 0.99 0.91 0.00 0.00 -0.44 0.00 0.00 62.40 63.86 1wfm h SER 38 CO 0.56 -0.26 0.00 -3.20 -0.53 0.00 0.00 176.83 173.41 1wfm n ASN 39 N -5.24 0.00 0.06 6.23 2.85 -1.26 -4.65 115.26 113.25 1wfm n ASN 39 Ca 0.01 0.00 0.00 0.00 -0.11 0.00 0.00 54.58 54.48 1wfm n ASN 39 Cb 0.27 0.00 0.00 0.00 1.24 0.00 0.00 39.78 41.29 1wfm n ASN 39 CO 0.00 0.00 0.00 0.00 -2.11 0.00 0.00 177.26 175.15 1wfm n HIS 40 N -0.33 -2.34 -3.04 1.20 1.44 -1.26 -4.93 115.22 105.95 1wfm n HIS 40 Ca 0.00 0.38 0.05 0.00 -2.01 0.00 0.00 57.72 56.14 1wfm n HIS 40 Cb 0.00 1.20 0.00 0.00 0.12 0.00 0.00 29.99 31.31 1wfm n HIS 40 CO 0.00 0.00 0.00 0.16 -2.81 0.00 0.00 176.34 173.69 1wfm s ASP 41 N -1.51 -0.31 0.00 4.39 -4.77 -1.26 -5.13 116.67 108.08 1wfm s ASP 41 Ca 0.00 -0.02 0.00 0.00 -3.30 0.00 0.00 52.55 49.23 1wfm s ASP 41 Cb 0.00 0.97 0.00 0.00 -1.09 0.00 0.00 42.92 42.80 1wfm s ASP 41 CO 0.00 -0.05 0.00 0.61 0.70 0.00 0.00 175.17 176.43 1wfm n GLY 42 N 4.69 1.99 1.56 2.12 0.00 -1.26 -5.01 105.19 109.29 1wfm n GLY 42 Ca 0.09 -0.16 0.00 0.00 0.00 0.00 0.00 46.02 45.94 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 0.00 2.81 3.51 -0.02 0.00 -1.26 -5.00 105.19 105.23 1wfm n GLY 43 Ca 0.00 0.00 -0.22 0.00 0.00 0.00 0.00 46.02 45.80 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 -4.88 7.52 0.38 0.00 1.01 -1.26 -4.46 116.67 114.98 1wfm s ASP 45 Ca 0.62 1.80 0.08 0.00 0.71 0.00 0.00 52.55 55.77 1wfm s ASP 45 Cb -0.03 -2.58 -0.06 0.00 1.01 0.00 0.00 42.92 41.26 1wfm s ASP 45 CO 0.42 0.02 0.04 0.00 0.21 0.00 0.00 175.17 175.86 1wfm s TYR 47 N -2.60 -0.50 0.07 0.00 -0.85 -1.18 -2.29 117.35 109.99 1wfm s TYR 47 Ca 0.36 0.32 -0.16 0.00 -0.52 0.00 0.00 57.07 57.07 1wfm s TYR 47 Cb 0.04 0.51 -0.06 0.00 0.38 0.00 0.00 41.96 42.83 1wfm s TYR 47 CO 0.19 -0.82 0.50 0.08 -1.52 0.00 0.00 175.55 173.99 1wfm s VAL 48 N -3.60 4.89 -0.06 -3.49 1.01 -1.26 -3.18 120.40 114.71 1wfm s VAL 48 Ca 0.00 0.94 0.01 0.00 0.00 0.00 0.00 61.98 62.93 1wfm s VAL 48 Cb -0.01 -3.78 0.02 0.00 0.00 0.00 0.00 36.38 32.62 1wfm s VAL 48 CO -0.12 0.47 -0.05 -1.58 0.00 0.00 0.00 175.10 173.82 1wfm s GLN 49 N -1.37 0.99 -0.13 2.72 0.74 0.60 -1.65 119.66 121.56 1wfm s GLN 49 Ca 0.30 -0.14 0.03 0.00 0.05 0.00 0.00 55.36 55.60 1wfm s GLN 49 Cb -0.17 -1.01 0.01 0.00 1.10 0.00 0.00 33.01 32.94 1wfm s GLN 49 CO 0.17 -0.11 -0.21 0.20 -0.55 0.00 0.00 175.29 174.79 1wfm s GLY 50 N 1.09 1.30 0.14 2.59 0.00 0.13 0.38 107.32 112.95 1wfm s GLY 50 Ca -0.08 -1.02 0.11 0.00 0.00 0.00 0.00 44.72 43.73 1wfm s GLY 50 CO -0.01 -0.03 -0.25 -0.45 0.00 0.00 0.00 173.10 172.36 1wfm s SER 51 N 0.77 3.44 0.01 1.64 0.15 -0.80 -0.45 113.70 118.46 1wfm s SER 51 Ca -0.09 -0.73 0.02 0.00 0.70 0.00 0.00 55.95 55.85 1wfm s SER 51 Cb -0.16 -0.28 -0.01 0.00 -1.71 0.00 0.00 66.02 63.86 1wfm s SER 51 CO -0.00 0.17 -0.06 -0.69 1.20 0.00 0.00 173.24 173.86 1wfm s VAL 52 N -1.16 0.47 -0.20 4.45 1.01 0.35 -1.53 120.40 123.79 1wfm s VAL 52 Ca 0.16 -0.49 -0.00 0.00 0.00 0.00 0.00 61.98 61.64 1wfm s VAL 52 Cb -0.10 -0.44 0.05 0.00 0.00 0.00 0.00 36.38 35.89 1wfm s VAL 52 CO 0.07 -0.03 -0.04 0.00 0.00 0.00 0.00 175.10 175.11 1wfm s ALA 53 N -0.50 1.61 0.43 5.51 0.00 -1.09 0.02 121.76 127.74 1wfm s ALA 53 Ca -0.01 -1.03 0.05 0.00 0.00 0.00 0.00 51.96 50.96 1wfm s ALA 53 Cb -0.04 -1.26 0.05 0.00 0.00 0.00 0.00 23.12 21.86 1wfm s ALA 53 CO -0.00 -1.02 0.40 0.27 0.00 0.00 0.00 175.76 175.41 1wfm n ASN 54 N 4.82 2.13 -0.16 0.00 0.23 -0.43 -2.78 115.26 119.06 1wfm n ASN 54 Ca -0.12 -2.37 0.08 0.00 -0.53 0.00 0.00 54.58 51.65 1wfm n ASN 54 Cb 0.46 -0.12 0.39 0.00 -2.08 0.00 0.00 39.78 38.44 1wfm n ASN 54 CO 0.00 0.00 0.00 0.54 -0.93 0.00 0.00 177.26 176.87 1wfm n ARG 55 N -1.62 1.21 -0.03 -3.83 1.74 -1.21 -3.25 116.66 109.66 1wfm n ARG 55 Ca 0.02 -0.32 -0.03 0.00 -0.77 0.00 0.00 57.85 56.75 1wfm n ARG 55 Cb 0.47 -1.26 -0.05 0.00 -1.02 0.00 0.00 32.46 30.60 1wfm n ARG 55 CO 0.00 0.00 0.00 0.25 -1.52 0.00 0.00 177.63 176.36 1wfm n THR 56 N -0.41 0.44 0.00 0.55 -2.24 -1.26 -5.11 114.28 106.25 1wfm n THR 56 Ca 0.12 -0.27 0.00 0.00 -2.27 0.00 0.00 64.05 61.62 1wfm n THR 56 Cb 0.13 -0.82 0.00 0.00 -2.10 0.00 0.00 70.33 67.54 1wfm n THR 56 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 1wfm n GLY 57 N 2.60 -0.32 3.55 3.38 0.00 -1.20 -5.17 105.19 108.03 1wfm n GLY 57 Ca -0.11 0.40 -0.08 0.00 0.00 0.00 0.00 46.02 46.24 1wfm n GLY 57 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 1wfm s SER 58 N -4.00 -0.30 0.06 1.61 1.04 -1.26 -1.32 113.70 109.54 1wfm s SER 58 Ca 0.00 0.11 0.00 0.00 0.48 0.00 0.00 55.95 56.55 1wfm s SER 58 Cb 0.00 0.29 -0.04 0.00 0.10 0.00 0.00 66.02 66.37 1wfm s SER 58 CO 0.00 -0.43 -0.05 0.68 0.98 0.00 0.00 173.24 174.43 1wfm s VAL 59 N -2.31 0.41 0.15 5.02 -7.23 0.10 -4.95 120.40 111.59 1wfm s VAL 59 Ca 0.04 -1.63 -0.03 0.00 -1.81 0.00 0.00 61.98 58.55 1wfm s VAL 59 Cb -0.01 -1.28 -0.03 0.00 0.56 0.00 0.00 36.38 35.62 1wfm s VAL 59 CO -0.05 -0.81 0.14 -1.61 -0.31 0.00 0.00 175.10 172.46 1wfm s GLU 60 N -3.24 1.04 -0.01 4.82 2.02 -1.26 0.13 118.70 122.20 1wfm s GLU 60 Ca 0.03 -1.38 -0.30 0.00 0.02 0.00 0.00 54.97 53.34 1wfm s GLU 60 Cb 0.02 0.29 0.11 0.00 0.10 0.00 0.00 34.13 34.65 1wfm s GLU 60 CO -0.06 -0.33 1.12 0.00 0.02 0.00 0.00 175.26 176.02 1wfm s ALA 61 N -4.04 -1.98 0.24 5.21 0.00 0.41 -4.93 121.76 116.67 1wfm s ALA 61 Ca 0.24 0.78 -0.15 0.00 0.00 0.00 0.00 51.96 52.83 1wfm s ALA 61 Cb 0.06 0.34 0.01 0.00 0.00 0.00 0.00 23.12 23.53 1wfm s ALA 61 CO 0.03 -0.90 0.53 1.14 0.00 0.00 0.00 175.76 176.55 1wfm s GLN 62 N -2.76 1.55 0.55 0.00 1.03 -1.26 0.19 119.66 118.97 1wfm s GLN 62 Ca 0.11 -1.13 0.09 0.00 0.04 0.00 0.00 55.36 54.47 1wfm s GLN 62 Cb 0.01 0.50 0.09 0.00 0.03 0.00 0.00 33.01 33.64 1wfm s GLN 62 CO -0.03 -0.66 0.73 0.25 -2.54 0.00 0.00 175.29 173.03 1wfm n THR 63 N -0.38 0.00 -2.62 3.63 -2.24 -0.66 -4.88 114.28 107.14 1wfm n THR 63 Ca -0.04 -1.89 -0.41 0.00 -2.27 0.00 0.00 64.05 59.45 1wfm n THR 63 Cb 0.61 -0.48 -0.05 0.00 -2.10 0.00 0.00 70.33 68.32 1wfm n THR 63 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 1wfm s ALA 64 N -2.68 3.34 0.49 6.98 0.00 -1.26 -4.66 121.76 123.97 1wfm s ALA 64 Ca 0.55 0.72 -0.20 0.00 0.00 0.00 0.00 51.96 53.03 1wfm s ALA 64 Cb -0.04 -3.30 -0.10 0.00 0.00 0.00 0.00 23.12 19.68 1wfm s ALA 64 CO 0.35 -0.06 0.59 1.28 0.00 0.00 0.00 175.76 177.92 1wfm n LEU 65 N 2.08 0.67 -3.82 0.00 7.99 -1.26 -4.86 117.00 117.80 1wfm n LEU 65 Ca 0.01 0.84 -0.12 0.00 -0.01 0.00 0.00 56.01 56.73 1wfm n LEU 65 Cb 0.47 -1.17 -0.12 0.00 -0.11 0.00 0.00 43.42 42.49 1wfm n LEU 65 CO 0.52 -2.80 -0.17 -0.54 -1.51 0.00 0.00 177.39 172.90 1wfm s LYS 66 N -1.87 0.23 0.23 3.23 -0.14 -0.97 -5.02 119.74 115.44 1wfm s LYS 66 Ca 0.66 0.19 -0.31 0.00 -1.36 0.00 0.00 55.97 55.15 1wfm s LYS 66 Cb -0.52 0.11 -0.11 0.00 -1.68 0.00 0.00 37.83 35.63 1wfm s LYS 66 CO 0.56 -0.03 1.65 0.21 -0.76 0.00 0.00 175.35 176.98 1wfm s LYS 67 N -0.04 4.14 0.15 1.68 2.20 -1.26 -3.39 119.74 123.22 1wfm s LYS 67 Ca -0.01 2.55 -0.34 0.00 -0.36 0.00 0.00 55.97 57.81 1wfm s LYS 67 Cb -0.02 -3.07 -0.15 0.00 -1.51 0.00 0.00 37.83 33.08 1wfm s LYS 67 CO 0.00 -0.68 1.45 2.89 -0.36 0.00 0.00 175.35 178.65 1wfm n ARG 68 N 3.37 1.74 -3.80 4.03 1.85 -1.26 -4.88 116.66 117.72 1wfm n ARG 68 Ca 0.13 0.63 -0.10 0.00 -1.00 0.00 0.00 57.85 57.50 1wfm n ARG 68 Cb 0.37 -2.32 -0.07 0.00 -1.05 0.00 0.00 32.46 29.38 1wfm n ARG 68 CO 0.00 0.00 0.00 -0.65 -0.01 0.00 0.00 177.63 176.97 1wfm s GLN 69 N 0.50 0.80 0.46 2.89 -1.52 -1.26 -5.01 119.66 116.52 1wfm s GLN 69 Ca 0.79 -0.67 0.31 0.00 -1.95 0.00 0.00 55.36 53.84 1wfm s GLN 69 Cb -0.78 0.34 1.68 0.00 -0.22 0.00 0.00 33.01 34.03 1wfm s GLN 69 CO 0.43 -0.25 1.95 -0.07 -0.25 0.00 0.00 175.29 177.10 1wfm h LEU 70 N 3.12 0.00 -5.14 2.90 4.07 -1.83 -3.26 115.31 115.17 1wfm h LEU 70 Ca -0.33 0.00 -0.22 0.00 0.08 0.00 0.00 57.88 57.41 1wfm h LEU 70 Cb 1.20 0.00 -0.18 0.00 1.08 0.00 0.00 40.66 42.76 1wfm h LEU 70 CO 0.49 0.00 -0.55 1.57 -1.08 0.00 0.00 178.44 178.87 1wfm n HIS 71 N -2.60 -3.33 -2.49 1.13 -0.00 -1.26 -3.86 115.22 102.82 1wfm n HIS 71 Ca -0.02 -1.72 -0.35 0.00 0.46 0.00 0.00 57.72 56.09 1wfm n HIS 71 Cb 0.06 1.35 -0.03 0.00 -0.12 0.00 0.00 29.99 31.25 1wfm n HIS 71 CO 0.00 0.00 0.00 0.99 0.46 0.00 0.00 176.34 177.79 1wfm s THR 72 N 0.67 3.65 0.03 3.57 2.01 -0.94 -4.91 115.64 119.71 1wfm s THR 72 Ca 0.31 1.09 0.00 0.00 0.31 0.00 0.00 61.69 63.40 1wfm s THR 72 Cb 0.09 -3.48 -0.03 0.00 0.01 0.00 0.00 72.50 69.09 1wfm s THR 72 CO -0.13 -0.16 -0.04 0.42 -0.69 0.00 0.00 174.62 174.02 1wfm s THR 73 N -1.85 0.22 0.52 -0.82 -4.23 -1.26 -2.32 115.64 105.90 1wfm s THR 73 Ca 0.66 -1.17 0.00 0.00 -1.18 0.00 0.00 61.69 60.00 1wfm s THR 73 Cb -0.19 -0.63 0.00 0.00 1.34 0.00 0.00 72.50 73.01 1wfm s THR 73 CO 0.23 -0.60 0.01 0.79 -0.54 0.00 0.00 174.62 174.51 1wfm n TRP 74 N 1.20 1.16 -0.05 3.99 8.01 -1.05 -5.03 117.44 125.67 1wfm n TRP 74 Ca -0.21 -2.57 -0.06 0.00 -1.31 0.00 0.00 57.50 53.35 1wfm n TRP 74 Cb 0.56 -0.35 -0.05 0.00 -2.01 0.00 0.00 31.31 29.46 1wfm n TRP 74 CO 0.00 0.00 0.00 -1.91 -1.01 0.00 0.00 177.69 174.77 1wfm n GLU 75 N -1.32 1.11 -2.73 -0.99 2.13 -1.26 -4.79 120.64 112.79 1wfm n GLU 75 Ca -0.21 0.04 -0.15 0.00 0.66 0.00 0.00 57.16 57.49 1wfm n GLU 75 Cb 0.66 -1.21 0.02 0.00 0.27 0.00 0.00 31.44 31.18 1wfm n GLU 75 CO 0.00 0.00 0.00 -0.85 -0.41 0.00 0.00 177.13 175.87 1wfm n GLU 76 N -2.63 0.86 -4.42 5.31 0.28 -1.26 -4.93 120.64 113.85 1wfm n GLU 76 Ca -0.17 -2.19 -0.22 0.00 -0.16 0.00 0.00 57.16 54.43 1wfm n GLU 76 Cb 0.72 0.07 -0.09 0.00 1.43 0.00 0.00 31.44 33.57 1wfm n GLU 76 CO 0.00 0.00 0.00 0.20 -0.16 0.00 0.00 177.13 177.17 1wfm s GLY 77 N -3.50 2.26 -0.23 -1.84 0.00 -1.26 -4.55 107.32 98.19 1wfm s GLY 77 Ca 0.29 -1.63 -0.18 0.00 0.00 0.00 0.00 44.72 43.21 1wfm s GLY 77 CO 0.19 -1.72 0.49 1.08 0.00 0.00 0.00 173.10 173.14 1wfm s LEU 78 N -3.48 4.10 -0.09 0.66 1.43 -0.63 -4.78 118.68 115.89 1wfm s LEU 78 Ca 0.32 0.56 0.02 0.00 -1.03 0.00 0.00 54.13 53.99 1wfm s LEU 78 Cb 0.05 -2.64 -0.02 0.00 0.03 0.00 0.00 46.19 43.61 1wfm s LEU 78 CO 0.16 -0.21 -0.15 0.54 0.23 0.00 0.00 176.35 176.92 1wfm s VAL 79 N 1.90 2.92 0.01 -1.59 0.11 -1.25 0.23 120.40 122.73 1wfm s VAL 79 Ca 0.21 -0.74 0.02 0.00 -2.93 0.00 0.00 61.98 58.55 1wfm s VAL 79 Cb -0.15 -2.18 -0.01 0.00 -1.53 0.00 0.00 36.38 32.51 1wfm s VAL 79 CO 0.09 0.55 -0.06 -0.76 -3.33 0.00 0.00 175.10 171.59 1wfm s LEU 80 N -0.09 2.10 -0.16 2.54 1.43 0.29 -4.79 118.68 120.00 1wfm s LEU 80 Ca -0.02 -0.27 -0.29 0.00 -1.03 0.00 0.00 54.13 52.52 1wfm s LEU 80 Cb -0.14 -0.25 -0.02 0.00 0.03 0.00 0.00 46.19 45.82 1wfm s LEU 80 CO 0.04 -0.03 1.27 -2.16 0.23 0.00 0.00 176.35 175.70 1wfm s PRO 81 N -0.67 4.24 -0.09 1.29 0.04 -1.26 0.25 135.00 138.80 1wfm s PRO 81 Ca -0.02 1.68 -0.05 0.00 0.04 0.00 0.00 61.00 62.65 1wfm s PRO 81 Cb -0.05 -3.76 0.04 0.00 0.04 0.00 0.00 34.50 30.77 1wfm s PRO 81 CO 0.00 -0.70 0.21 -1.17 0.04 0.00 0.00 177.00 175.38 1wfm s LEU 82 N 3.46 0.57 0.18 -3.56 1.98 0.11 -4.83 118.68 116.59 1wfm s LEU 82 Ca 0.55 0.45 -0.30 0.00 -2.89 0.00 0.00 54.13 51.94 1wfm s LEU 82 Cb -0.22 0.62 -0.07 0.00 0.66 0.00 0.00 46.19 47.17 1wfm s LEU 82 CO 0.15 -0.15 0.94 0.00 -1.89 0.00 0.00 176.35 175.41 1wfm s ALA 83 N 1.14 3.30 0.56 5.97 0.00 -1.26 -3.69 121.76 127.78 1wfm s ALA 83 Ca -0.08 0.59 0.26 0.00 0.00 0.00 0.00 51.96 52.73 1wfm s ALA 83 Cb -0.10 -3.23 1.51 0.00 0.00 0.00 0.00 23.12 21.30 1wfm s ALA 83 CO -0.07 0.10 2.04 1.49 0.00 0.00 0.00 175.76 179.32 1wfm h GLU 84 N 4.83 0.00 0.00 0.00 4.81 -1.91 0.92 114.58 123.23 1wfm h GLU 84 Ca -0.44 0.00 0.00 0.00 -0.13 0.00 0.00 59.36 58.79 1wfm h GLU 84 Cb 1.21 0.00 0.00 0.00 0.63 0.00 0.00 28.75 30.59 1wfm h GLU 84 CO 0.70 0.00 0.00 -0.85 -0.73 0.00 0.00 179.01 178.13 1wfm n GLU 85 N -4.05 0.17 0.00 1.92 0.28 -1.26 -2.60 120.64 115.10 1wfm n GLU 85 Ca 0.05 0.20 0.08 0.00 -0.16 0.00 0.00 57.16 57.33 1wfm n GLU 85 Cb 0.44 -1.72 0.03 0.00 1.43 0.00 0.00 31.44 31.62 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 -2.02 1.54 -0.13 3.44 1.02 0.31 -4.53 120.64 120.27 1wfm n GLU 86 Ca 0.05 -1.10 -0.05 0.00 -0.02 0.00 0.00 57.16 56.04 1wfm n GLU 86 Cb 0.36 -1.29 0.01 0.00 -0.02 0.00 0.00 31.44 30.50 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 2.42 -0.70 -0.26 -4.62 3.38 -0.94 1.62 115.31 116.20 1wfm h LEU 87 Ca 0.00 0.16 0.00 0.00 0.09 0.00 0.00 57.88 58.13 1wfm h LEU 87 Cb 0.61 0.38 0.00 0.00 0.09 0.00 0.00 40.66 41.74 1wfm h LEU 87 CO 0.00 -0.23 0.00 -0.81 0.09 0.00 0.00 178.44 177.49 1wfm n PRO 88 N -5.39 0.17 -0.62 1.13 -0.04 -1.26 -2.64 135.00 126.35 1wfm n PRO 88 Ca 0.03 0.27 0.02 0.00 -0.04 0.00 0.00 63.50 63.77 1wfm n PRO 88 Cb 0.30 -1.75 0.20 0.00 -0.04 0.00 0.00 33.50 32.21 1wfm n PRO 88 CO 0.00 0.00 0.00 0.25 -0.04 0.00 0.00 175.50 175.71 1wfm n THR 89 N -2.06 2.36 -3.96 0.52 -2.24 0.18 -4.93 114.28 104.14 1wfm n THR 89 Ca 0.04 -2.69 -0.09 0.00 -2.27 0.00 0.00 64.05 59.04 1wfm n THR 89 Cb 0.31 -0.28 -0.10 0.00 -2.10 0.00 0.00 70.33 68.16 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 -3.15 0.07 0.08 6.98 0.00 0.50 -3.33 121.76 122.91 1wfm s ALA 90 Ca 0.41 -0.68 0.02 0.00 0.00 0.00 0.00 51.96 51.71 1wfm s ALA 90 Cb 0.37 0.24 -0.04 0.00 0.00 0.00 0.00 23.12 23.70 1wfm s ALA 90 CO -0.00 -0.30 -0.07 0.99 0.00 0.00 0.00 175.76 176.38 1wfm s THR 91 N -2.67 0.63 -0.26 0.00 2.01 -1.12 -3.85 115.64 110.38 1wfm s THR 91 Ca -0.04 -1.73 0.01 0.00 0.31 0.00 0.00 61.69 60.23 1wfm s THR 91 Cb -0.01 -1.43 0.07 0.00 0.01 0.00 0.00 72.50 71.14 1wfm s THR 91 CO -0.05 -0.77 -0.02 -0.22 -0.69 0.00 0.00 174.62 172.87 1wfm s LEU 92 N -2.70 2.82 -0.21 4.42 1.98 -1.19 -2.66 118.68 121.14 1wfm s LEU 92 Ca 0.07 -1.36 -0.06 0.00 -2.89 0.00 0.00 54.13 49.89 1wfm s LEU 92 Cb 0.02 -1.21 -0.03 0.00 0.66 0.00 0.00 46.19 45.64 1wfm s LEU 92 CO -0.04 -0.27 0.03 -0.89 -1.89 0.00 0.00 176.35 173.28 1wfm s THR 93 N 1.35 4.16 0.25 3.68 2.01 -0.58 -1.53 115.64 124.98 1wfm s THR 93 Ca -0.02 -0.24 -0.16 0.00 0.31 0.00 0.00 61.69 61.58 1wfm s THR 93 Cb -0.19 -2.90 -0.08 0.00 0.01 0.00 0.00 72.50 69.34 1wfm s THR 93 CO -0.08 0.41 0.68 -0.76 -0.69 0.00 0.00 174.62 174.17 1wfm s LEU 94 N 1.08 4.22 -0.14 4.42 1.02 0.19 -1.91 118.68 127.55 1wfm s LEU 94 Ca 0.03 1.25 -0.06 0.00 0.02 0.00 0.00 54.13 55.37 1wfm s LEU 94 Cb -0.14 -3.72 0.06 0.00 0.02 0.00 0.00 46.19 42.41 1wfm s LEU 94 CO 0.02 -0.05 0.31 0.42 0.02 0.00 0.00 176.35 177.07 1wfm s THR 95 N -1.71 -0.20 -0.46 5.49 -4.23 0.16 0.20 115.64 114.88 1wfm s THR 95 Ca 0.47 0.17 -0.10 0.00 -1.18 0.00 0.00 61.69 61.05 1wfm s THR 95 Cb -0.13 -0.48 0.11 0.00 1.34 0.00 0.00 72.50 73.33 1wfm s THR 95 CO 0.19 0.07 0.34 -0.22 -0.54 0.00 0.00 174.62 174.46 1wfm s LEU 96 N 1.74 5.58 0.49 4.79 0.20 0.70 -0.29 118.68 131.89 1wfm s LEU 96 Ca -0.06 -1.76 0.02 0.00 0.69 0.00 0.00 54.13 53.03 1wfm s LEU 96 Cb -0.10 -2.03 0.02 0.00 -0.43 0.00 0.00 46.19 43.64 1wfm s LEU 96 CO -0.10 -0.66 0.70 -0.13 -0.29 0.00 0.00 176.35 175.86 1wfm s ARG 97 N 1.41 2.79 0.01 1.98 0.52 -1.19 0.13 118.95 124.60 1wfm s ARG 97 Ca 0.05 -0.75 0.07 0.00 -0.52 0.00 0.00 55.73 54.58 1wfm s ARG 97 Cb -0.26 -2.57 -0.03 0.00 0.52 0.00 0.00 34.95 32.62 1wfm s ARG 97 CO 0.01 -0.46 -0.21 0.95 0.02 0.00 0.00 175.30 175.60 1wfm s THR 98 N -2.61 2.50 -0.42 0.02 -4.23 -1.26 -3.08 115.64 106.57 1wfm s THR 98 Ca 0.53 -1.13 -0.28 0.00 -1.18 0.00 0.00 61.69 59.64 1wfm s THR 98 Cb -0.10 -1.98 0.02 0.00 1.34 0.00 0.00 72.50 71.79 1wfm s THR 98 CO 0.37 0.45 1.05 0.00 -0.54 0.00 0.00 174.62 175.96 1wfm s ASP 100 N 2.12 4.07 0.26 0.00 1.01 -1.26 -4.19 116.67 118.68 1wfm s ASP 100 Ca 0.44 -0.81 -0.08 0.00 0.71 0.00 0.00 52.55 52.82 1wfm s ASP 100 Cb -0.10 -0.58 0.43 0.00 1.01 0.00 0.00 42.92 43.69 1wfm s ASP 100 CO 0.24 0.04 1.48 -1.14 0.21 0.00 0.00 175.17 176.00 1wfm n ARG 101 N -0.61 -0.09 0.03 8.23 0.63 -1.26 -4.05 116.66 119.54 1wfm n ARG 101 Ca -0.07 1.48 0.00 0.00 -0.92 0.00 0.00 57.85 58.35 1wfm n ARG 101 Cb 0.59 -2.21 0.00 0.00 0.45 0.00 0.00 32.46 31.29 1wfm n ARG 101 CO 0.00 0.00 0.00 1.19 -2.51 0.00 0.00 177.63 176.31 1wfm n PHE 102 N -5.54 -0.25 0.00 -0.14 3.01 -1.26 -5.06 117.46 108.22 1wfm n PHE 102 Ca 0.15 0.04 0.00 0.00 1.01 0.00 0.00 57.45 58.65 1wfm n PHE 102 Cb 0.47 0.11 0.00 0.00 -0.01 0.00 0.00 39.48 40.05 1wfm n PHE 102 CO 0.00 0.00 0.00 0.43 1.01 0.00 0.00 176.76 178.20 1wfm n SER 103 N -3.18 0.00 -3.17 4.37 7.64 -1.26 -5.05 113.62 112.96 1wfm n SER 103 Ca 0.00 0.00 -0.39 0.00 1.01 0.00 0.00 58.87 59.49 1wfm n SER 103 Cb 0.21 0.00 0.02 0.00 -1.01 0.00 0.00 64.21 63.43 1wfm n SER 103 CO 0.00 0.00 0.00 0.54 -3.01 0.00 0.00 175.04 172.57 1wfm n ARG 104 N 0.00 3.82 -3.64 1.43 5.12 -1.26 -4.87 116.66 117.26 1wfm n ARG 104 Ca 0.00 -3.79 -0.05 0.00 -1.93 0.00 0.00 57.85 52.08 1wfm n ARG 104 Cb 0.00 -2.36 -0.07 0.00 -1.16 0.00 0.00 32.46 28.88 1wfm n ARG 104 CO 0.00 0.00 0.00 -1.58 -1.93 0.00 0.00 177.63 174.12 1wfm s HIS 105 N -3.66 -0.20 0.00 -1.55 2.46 -1.26 -5.03 115.29 106.05 1wfm s HIS 105 Ca 0.48 0.49 0.00 0.00 0.47 0.00 0.00 55.06 56.50 1wfm s HIS 105 Cb 0.32 0.44 0.00 0.00 -0.13 0.00 0.00 32.58 33.22 1wfm s HIS 105 CO -0.27 -0.10 0.00 0.45 -2.47 0.00 0.00 174.74 172.35 1wfm n SER 106 N 1.72 0.00 -3.77 9.88 2.88 -1.26 -4.89 113.62 118.17 1wfm n SER 106 Ca -0.11 0.14 -0.13 0.00 -1.33 0.00 0.00 58.87 57.45 1wfm n SER 106 Cb 0.57 -0.27 -0.11 0.00 -0.75 0.00 0.00 64.21 63.64 1wfm n SER 106 CO 0.00 0.00 0.00 -0.69 -1.23 0.00 0.00 175.04 173.12 1wfm s VAL 107 N -0.54 -0.00 0.02 2.46 1.01 -1.26 -4.82 120.40 117.26 1wfm s VAL 107 Ca 0.00 0.01 0.10 0.00 0.00 0.00 0.00 61.98 62.10 1wfm s VAL 107 Cb 0.00 -0.40 -0.15 0.00 0.00 0.00 0.00 36.38 35.83 1wfm s VAL 107 CO 0.00 0.01 1.17 0.00 0.00 0.00 0.00 175.10 176.28 1wfm h ALA 108 N 5.84 0.51 -0.80 5.51 0.00 0.75 -3.47 119.26 127.61 1wfm h ALA 108 Ca -0.27 -0.91 0.22 0.00 0.00 0.00 0.00 54.91 53.95 1wfm h ALA 108 Cb 1.19 0.00 -0.32 0.00 0.00 0.00 0.00 17.79 18.66 1wfm h ALA 108 CO 0.33 1.16 0.71 0.20 0.00 0.00 0.00 179.25 181.65 1wfm s GLY 109 N -4.73 0.57 -0.08 0.00 0.00 -1.14 -4.71 107.32 97.22 1wfm s GLY 109 Ca 0.00 3.83 -0.00 0.00 0.00 0.00 0.00 44.72 48.55 1wfm s GLY 109 CO 0.81 2.94 -0.06 1.85 0.00 0.00 0.00 173.10 178.64 1wfm s GLU 110 N 1.29 2.91 0.15 2.90 2.12 -1.26 -0.21 118.70 126.60 1wfm s GLU 110 Ca -0.06 -0.53 0.11 0.00 0.36 0.00 0.00 54.97 54.85 1wfm s GLU 110 Cb -0.02 -2.65 -0.04 0.00 0.26 0.00 0.00 34.13 31.68 1wfm s GLU 110 CO -0.11 0.60 -0.25 -1.17 -0.54 0.00 0.00 175.26 173.79 1wfm s LEU 111 N -0.63 2.36 0.03 2.70 0.20 0.52 0.18 118.68 124.05 1wfm s LEU 111 Ca 0.10 -0.79 0.07 0.00 0.69 0.00 0.00 54.13 54.20 1wfm s LEU 111 Cb -0.12 -1.16 -0.03 0.00 -0.43 0.00 0.00 46.19 44.46 1wfm s LEU 111 CO 0.02 0.14 -0.20 -0.13 -0.29 0.00 0.00 176.35 175.89 1wfm s ARG 112 N -2.30 2.05 0.29 1.98 1.81 -1.26 0.52 118.95 122.04 1wfm s ARG 112 Ca 0.16 -0.98 -0.11 0.00 -1.72 0.00 0.00 55.73 53.07 1wfm s ARG 112 Cb -0.09 -2.15 0.01 0.00 -0.45 0.00 0.00 34.95 32.27 1wfm s ARG 112 CO 0.07 0.54 0.53 -0.51 -0.68 0.00 0.00 175.30 175.25 1wfm s LEU 113 N -1.28 0.41 0.02 2.53 1.43 -0.58 -4.93 118.68 116.28 1wfm s LEU 113 Ca 0.13 -1.07 0.04 0.00 -1.03 0.00 0.00 54.13 52.20 1wfm s LEU 113 Cb -0.10 1.88 -0.02 0.00 0.03 0.00 0.00 46.19 47.98 1wfm s LEU 113 CO 0.04 -1.26 -0.11 -0.83 0.23 0.00 0.00 176.35 174.41 1wfm s GLY 114 N -3.07 0.62 -0.15 -3.19 0.00 -1.26 -3.16 107.32 97.12 1wfm s GLY 114 Ca 0.23 -0.65 0.16 0.00 0.00 0.00 0.00 44.72 44.46 1wfm s GLY 114 CO 0.12 -0.61 1.55 1.04 0.00 0.00 0.00 173.10 175.19 1wfm n LEU 115 N 2.24 4.48 0.13 0.66 4.77 -1.25 -4.22 117.00 123.82 1wfm n LEU 115 Ca -0.17 -2.67 0.12 0.00 -0.03 0.00 0.00 56.01 53.26 1wfm n LEU 115 Cb 0.55 -0.55 0.08 0.00 -2.33 0.00 0.00 43.42 41.17 1wfm n LEU 115 CO 0.23 0.72 0.30 -2.24 -1.33 0.00 0.00 177.39 175.08 1wfm h ASP 116 N 3.11 0.00 -0.31 -1.43 3.04 -1.82 -3.40 116.42 115.62 1wfm h ASP 116 Ca 0.00 -0.02 0.00 0.00 -3.24 0.00 0.00 57.03 53.77 1wfm h ASP 116 Cb 1.48 0.00 0.00 0.00 -1.04 0.00 0.00 39.33 39.77 1wfm h ASP 116 CO 0.26 0.01 0.00 0.61 -2.04 0.00 0.00 179.24 178.08 1wfm n GLY 117 N 1.18 1.07 0.00 7.15 0.00 -1.26 -4.90 105.19 108.43 1wfm n GLY 117 Ca 0.02 -0.31 0.00 0.00 0.00 0.00 0.00 46.02 45.73 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 -1.37 0.00 -0.38 2.61 -1.04 -1.26 -4.83 114.28 108.01 1wfm n THR 118 Ca 0.00 0.00 -0.10 0.00 -2.04 0.00 0.00 64.05 61.91 1wfm n THR 118 Cb 0.21 -0.40 -0.09 0.00 -1.82 0.00 0.00 70.33 68.22 1wfm n THR 118 CO 0.00 0.00 0.00 0.28 -0.64 0.00 0.00 175.07 174.71 1wfm h SER 119 N 0.00 -2.01 -3.79 8.00 0.02 -1.96 -3.39 113.55 110.43 1wfm h SER 119 Ca 0.00 0.30 -0.55 0.00 -0.84 0.00 0.00 61.79 60.70 1wfm h SER 119 Cb 0.00 0.89 -0.32 0.00 0.14 0.00 0.00 62.40 63.11 1wfm h SER 119 CO 0.00 -0.22 -0.83 0.68 -1.14 0.00 0.00 176.83 175.32 1wfm s VAL 120 N -5.33 1.36 0.93 2.27 -7.23 -1.26 -5.01 120.40 106.12 1wfm s VAL 120 Ca -0.11 -0.67 -0.13 0.00 -1.81 0.00 0.00 61.98 59.26 1wfm s VAL 120 Cb 0.10 -1.18 0.15 0.00 0.56 0.00 0.00 36.38 36.01 1wfm s VAL 120 CO 0.58 0.40 1.15 -2.16 -0.31 0.00 0.00 175.10 174.75 1wfm s PRO 121 N 0.16 0.96 0.23 4.82 0.04 -1.26 -4.43 135.00 135.52 1wfm s PRO 121 Ca -0.06 0.22 -0.00 0.00 0.04 0.00 0.00 61.00 61.20 1wfm s PRO 121 Cb -0.12 -1.82 -0.04 0.00 0.04 0.00 0.00 34.50 32.55 1wfm s PRO 121 CO 0.03 -2.31 0.42 -0.51 0.04 0.00 0.00 177.00 174.67 1wfm s LEU 122 N -6.08 4.19 -1.66 -3.56 1.43 -1.26 -4.14 118.68 107.60 1wfm s LEU 122 Ca 0.65 0.40 0.00 0.00 -1.03 0.00 0.00 54.13 54.15 1wfm s LEU 122 Cb -0.14 -3.19 0.00 0.00 0.03 0.00 0.00 46.19 42.89 1wfm s LEU 122 CO 0.53 -0.09 0.00 0.61 0.23 0.00 0.00 176.35 177.63 1wfm n GLY 123 N -0.90 1.49 2.85 -3.19 0.00 0.51 -4.90 105.19 101.04 1wfm n GLY 123 Ca -0.05 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.67 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 -2.31 1.97 0.08 4.61 0.00 -1.25 -5.01 121.76 119.85 1wfm s ALA 124 Ca 0.00 -1.83 -0.31 0.00 0.00 0.00 0.00 51.96 49.82 1wfm s ALA 124 Cb 0.00 -1.67 -0.07 0.00 0.00 0.00 0.00 23.12 21.37 1wfm s ALA 124 CO 0.00 -1.58 1.41 0.00 0.00 0.00 0.00 175.76 175.59 1wfm s ALA 125 N 1.39 3.59 0.21 0.00 0.00 -1.26 -4.40 121.76 121.30 1wfm s ALA 125 Ca 0.07 1.06 0.10 0.00 0.00 0.00 0.00 51.96 53.19 1wfm s ALA 125 Cb -0.18 -3.56 -0.05 0.00 0.00 0.00 0.00 23.12 19.33 1wfm s ALA 125 CO -0.17 -0.72 -0.18 -0.65 0.00 0.00 0.00 175.76 174.04 1wfm s GLN 126 N 1.55 1.43 -0.59 0.00 -0.21 -1.05 -4.99 119.66 115.79 1wfm s GLN 126 Ca 0.65 -1.57 -0.10 0.00 0.02 0.00 0.00 55.36 54.36 1wfm s GLN 126 Cb -0.36 -1.45 0.15 0.00 1.00 0.00 0.00 33.01 32.35 1wfm s GLN 126 CO 0.29 0.28 0.48 -1.58 -2.12 0.00 0.00 175.29 172.64 1wfm s TRP 127 N -2.40 3.48 -0.04 0.91 0.52 -1.26 -3.11 118.94 117.04 1wfm s TRP 127 Ca 0.22 -2.01 -0.01 0.00 0.02 0.00 0.00 56.10 54.32 1wfm s TRP 127 Cb -0.04 -3.54 -0.04 0.00 -1.15 0.00 0.00 33.47 28.70 1wfm s TRP 127 CO 0.09 -0.97 0.04 0.20 0.02 0.00 0.00 176.95 176.33 1wfm s GLY 128 N 2.26 1.93 0.42 0.98 0.00 -1.18 -4.96 107.32 106.77 1wfm s GLY 128 Ca 0.10 -0.85 -0.14 0.00 0.00 0.00 0.00 44.72 43.83 1wfm s GLY 128 CO -0.03 -0.67 0.84 -0.54 0.00 0.00 0.00 173.10 172.70 1wfm s GLU 129 N -1.34 3.92 0.12 2.90 2.02 -1.26 -1.00 118.70 124.07 1wfm s GLU 129 Ca 0.18 0.72 -0.30 0.00 0.02 0.00 0.00 54.97 55.59 1wfm s GLU 129 Cb -0.12 -2.30 -0.06 0.00 0.10 0.00 0.00 34.13 31.75 1wfm s GLU 129 CO 0.08 -0.06 0.99 -0.51 0.02 0.00 0.00 175.26 175.77 1wfm s LEU 130 N -3.67 4.50 -1.12 1.80 1.43 0.18 -4.79 118.68 117.01 1wfm s LEU 130 Ca 0.55 1.84 -0.03 0.00 -1.03 0.00 0.00 54.13 55.46 1wfm s LEU 130 Cb -0.10 -3.59 0.21 0.00 0.03 0.00 0.00 46.19 42.74 1wfm s LEU 130 CO 0.27 -0.10 2.16 0.29 0.23 0.00 0.00 176.35 179.20 1wfm n LYS 131 N 2.76 4.71 -0.31 1.70 4.76 0.49 -4.74 118.16 127.52 1wfm n LYS 131 Ca 0.03 -3.89 0.12 0.00 -2.87 0.00 0.00 58.31 51.69 1wfm n LYS 131 Cb 0.49 -2.51 0.24 0.00 -1.84 0.00 0.00 35.03 31.40 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 0.80 -0.37 -2.91 -0.18 -2.24 -1.26 -3.50 114.28 104.62 1wfm n THR 132 Ca 0.55 1.95 -0.08 0.00 -2.27 0.00 0.00 64.05 64.20 1wfm n THR 132 Cb 0.27 -2.82 -0.01 0.00 -2.10 0.00 0.00 70.33 65.66 1wfm n THR 132 CO 0.00 0.00 0.00 -0.94 -0.57 0.00 0.00 175.07 173.56 1wfm s SER 133 N -5.04 -0.88 0.00 3.42 1.04 -1.26 -4.71 113.70 106.26 1wfm s SER 133 Ca -0.12 -1.93 0.00 0.00 0.48 0.00 0.00 55.95 54.39 1wfm s SER 133 Cb 0.26 1.45 0.00 0.00 0.10 0.00 0.00 66.02 67.83 1wfm s SER 133 CO 0.69 -0.08 0.00 0.61 0.98 0.00 0.00 173.24 175.43 1wfm n GLY 134 N 3.02 2.85 2.35 7.32 0.00 -1.23 -4.93 105.19 114.57 1wfm n GLY 134 Ca 0.20 -1.83 -0.22 0.00 0.00 0.00 0.00 46.02 44.17 1wfm n GLY 134 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 1wfm n PRO 135 N 0.00 2.32 0.00 1.61 -0.04 -1.26 -4.71 135.00 132.91 1wfm n PRO 135 Ca 0.00 -1.40 0.00 0.00 -0.04 0.00 0.00 63.50 62.06 1wfm n PRO 135 Cb 0.00 -2.33 0.00 0.00 -0.04 0.00 0.00 33.50 31.13 1wfm n PRO 135 CO 0.00 0.00 0.00 0.43 -0.04 0.00 0.00 175.50 175.89 1wfm n SER 136 N 3.45 0.00 -4.49 3.54 7.64 -1.26 -5.17 113.62 117.33 1wfm n SER 136 Ca 0.49 0.00 -0.28 0.00 1.01 0.00 0.00 58.87 60.09 1wfm n SER 136 Cb 0.36 0.00 -0.11 0.00 -1.01 0.00 0.00 64.21 63.45 1wfm n SER 136 CO 0.00 0.00 0.00 -0.55 -3.01 0.00 0.00 175.04 171.48 1wfm s SER 137 N 0.00 3.83 0.00 6.43 0.15 -1.26 -4.87 113.70 117.98 1wfm s SER 137 Ca 0.00 -0.64 0.00 0.00 0.70 0.00 0.00 55.95 56.01 1wfm s SER 137 Cb 0.00 -0.50 0.00 0.00 -1.71 0.00 0.00 66.02 63.81 1wfm s SER 137 CO 0.00 0.15 0.00 0.61 1.20 0.00 0.00 173.24 175.20