#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 0.41 0.01 1.61 2.88 -1.26 -5.10 113.62 112.18 1wfm n SER 2 Ca 0.00 0.32 0.00 0.00 -1.33 0.00 0.00 58.87 57.86 1wfm n SER 2 Cb 0.00 0.06 0.00 0.00 -0.75 0.00 0.00 64.21 63.52 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 -3.47 -0.17 0.00 -3.46 7.64 -1.26 -5.17 113.62 107.74 1wfm n SER 3 Ca 0.00 0.49 0.00 0.00 1.01 0.00 0.00 58.87 60.37 1wfm n SER 3 Cb 0.01 0.60 0.00 0.00 -1.01 0.00 0.00 64.21 63.81 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 -1.05 0.31 3.65 0.23 0.00 -1.26 -5.13 105.19 101.93 1wfm n GLY 4 Ca 0.00 -2.27 -0.03 0.00 0.00 0.00 0.00 46.02 43.72 1wfm n GLY 4 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 1wfm s SER 5 N -4.00 -0.19 0.26 1.61 1.04 -1.26 -5.19 113.70 105.98 1wfm s SER 5 Ca 0.00 -0.20 -0.15 0.00 0.48 0.00 0.00 55.95 56.08 1wfm s SER 5 Cb 0.00 0.35 0.00 0.00 0.10 0.00 0.00 66.02 66.47 1wfm s SER 5 CO 0.00 -0.62 0.56 -0.55 0.98 0.00 0.00 173.24 173.61 1wfm s SER 6 N -2.76 -0.11 0.00 7.02 0.15 -1.26 -5.17 113.70 111.57 1wfm s SER 6 Ca 0.11 -0.85 0.00 0.00 0.70 0.00 0.00 55.95 55.90 1wfm s SER 6 Cb 0.00 0.64 0.00 0.00 -1.71 0.00 0.00 66.02 64.95 1wfm s SER 6 CO -0.03 -1.22 0.00 0.61 1.20 0.00 0.00 173.24 173.80 1wfm n GLY 7 N -0.41 -3.18 0.74 9.45 0.00 -1.26 -5.06 105.19 105.47 1wfm n GLY 7 Ca -0.02 -1.08 0.00 0.00 0.00 0.00 0.00 46.02 44.92 1wfm n GLY 7 CO 0.00 0.00 0.00 -1.26 0.00 0.00 0.00 173.32 172.06 1wfm n SER 8 N 0.00 0.00 -3.64 1.61 2.88 -1.26 -5.14 113.62 108.08 1wfm n SER 8 Ca 0.00 0.00 -0.08 0.00 -1.33 0.00 0.00 58.87 57.46 1wfm n SER 8 Cb 0.00 0.00 -0.07 0.00 -0.75 0.00 0.00 64.21 63.39 1wfm n SER 8 CO 0.00 0.00 0.00 0.86 -1.23 0.00 0.00 175.04 174.67 1wfm s TRP 9 N -0.59 -0.61 0.00 0.66 -0.00 -1.26 -5.14 118.94 112.00 1wfm s TRP 9 Ca 0.00 1.38 0.00 0.00 -0.00 0.00 0.00 56.10 57.48 1wfm s TRP 9 Cb 0.00 0.37 0.00 0.00 -0.00 0.00 0.00 33.47 33.84 1wfm s TRP 9 CO 0.00 -0.30 0.00 0.09 -0.00 0.00 0.00 176.95 176.74 1wfm n ASN 10 N 2.83 0.00 -1.83 5.86 3.02 -1.26 -5.13 115.26 118.76 1wfm n ASN 10 Ca -0.15 0.00 0.00 0.00 -0.03 0.00 0.00 54.58 54.40 1wfm n ASN 10 Cb 0.56 0.00 0.00 0.00 -0.61 0.00 0.00 39.78 39.73 1wfm n ASN 10 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 1wfm n GLN 11 N 0.00 -4.80 -2.97 3.52 6.02 -1.26 -4.97 117.38 112.92 1wfm n GLN 11 Ca 0.00 3.47 -0.32 0.00 -0.01 0.00 0.00 57.00 60.14 1wfm n GLN 11 Cb 0.00 -3.66 -0.05 0.00 1.02 0.00 0.00 30.24 27.55 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 -0.55 3.28 0.07 -1.58 0.00 -1.26 -5.03 121.76 116.70 1wfm s ALA 12 Ca 0.00 0.02 -0.30 0.00 0.00 0.00 0.00 51.96 51.68 1wfm s ALA 12 Cb 0.00 -2.82 -0.06 0.00 0.00 0.00 0.00 23.12 20.25 1wfm s ALA 12 CO 0.00 0.17 1.16 -1.25 0.00 0.00 0.00 175.76 175.84 1wfm s PRO 13 N -3.33 4.47 0.08 0.00 0.04 -1.26 -4.80 135.00 130.20 1wfm s PRO 13 Ca 0.55 1.72 0.07 0.00 0.04 0.00 0.00 61.00 63.38 1wfm s PRO 13 Cb -0.10 -3.35 -0.04 0.00 0.04 0.00 0.00 34.50 31.05 1wfm s PRO 13 CO 0.22 -0.19 -0.14 0.15 0.04 0.00 0.00 177.00 177.08 1wfm s LYS 14 N 0.84 2.04 -0.13 4.56 1.02 0.19 0.11 119.74 128.37 1wfm s LYS 14 Ca 0.57 -1.04 -0.04 0.00 0.02 0.00 0.00 55.97 55.48 1wfm s LYS 14 Cb -0.29 -2.23 0.05 0.00 -0.52 0.00 0.00 37.83 34.84 1wfm s LYS 14 CO 0.30 0.52 0.07 -1.17 -0.92 0.00 0.00 175.35 174.15 1wfm s LEU 15 N -1.93 0.41 0.18 3.17 2.96 0.36 0.20 118.68 124.03 1wfm s LEU 15 Ca 0.18 -0.43 -0.22 0.00 -0.22 0.00 0.00 54.13 53.44 1wfm s LEU 15 Cb -0.11 -0.27 -0.08 0.00 0.50 0.00 0.00 46.19 46.23 1wfm s LEU 15 CO 0.10 -0.31 0.73 -2.28 -1.32 0.00 0.00 176.35 173.27 1wfm s HIS 16 N 2.10 3.78 -0.26 5.38 5.65 0.09 -1.98 115.29 130.06 1wfm s HIS 16 Ca 0.03 1.48 -0.23 0.00 0.25 0.00 0.00 55.06 56.58 1wfm s HIS 16 Cb -0.15 -2.67 0.07 0.00 -1.18 0.00 0.00 32.58 28.65 1wfm s HIS 16 CO -0.07 0.45 0.69 1.52 -0.65 0.00 0.00 174.74 176.68 1wfm s TYR 17 N -1.31 -0.78 -0.37 3.88 -0.85 -0.97 -2.58 117.35 114.36 1wfm s TYR 17 Ca 0.38 1.87 0.00 0.00 -0.52 0.00 0.00 57.07 58.81 1wfm s TYR 17 Cb -0.20 0.29 0.10 0.00 0.38 0.00 0.00 41.96 42.53 1wfm s TYR 17 CO 0.23 -0.38 0.12 0.00 -1.52 0.00 0.00 175.55 174.00 1wfm s LEU 19 N 1.05 4.54 -0.30 0.00 1.43 -1.25 -0.49 118.68 123.66 1wfm s LEU 19 Ca 0.08 2.26 -0.03 0.00 -1.03 0.00 0.00 54.13 55.41 1wfm s LEU 19 Cb -0.21 -3.65 0.18 0.00 0.03 0.00 0.00 46.19 42.54 1wfm s LEU 19 CO -0.06 -0.15 0.62 -0.62 0.23 0.00 0.00 176.35 176.37 1wfm s ASP 20 N -0.91 -1.33 -0.32 2.29 2.15 0.17 0.19 116.67 118.91 1wfm s ASP 20 Ca 0.45 0.97 -0.09 0.00 0.43 0.00 0.00 52.55 54.30 1wfm s ASP 20 Cb -0.31 2.17 0.01 0.00 -0.30 0.00 0.00 42.92 44.48 1wfm s ASP 20 CO 0.40 -0.25 0.14 -0.47 -0.17 0.00 0.00 175.17 174.83 1wfm s TYR 21 N 2.87 3.19 -1.06 -5.34 5.04 -1.26 -0.39 117.35 120.39 1wfm s TYR 21 Ca 0.16 -0.79 -0.17 0.00 -2.44 0.00 0.00 57.07 53.84 1wfm s TYR 21 Cb -0.14 -2.34 0.14 0.00 0.35 0.00 0.00 41.96 39.96 1wfm s TYR 21 CO -0.20 -0.53 1.30 0.34 -1.34 0.00 0.00 175.55 175.11 1wfm s ASP 22 N 1.56 6.80 0.43 4.32 -1.08 -0.30 -4.82 116.67 123.58 1wfm s ASP 22 Ca 0.03 -2.38 0.27 0.00 -0.52 0.00 0.00 52.55 49.95 1wfm s ASP 22 Cb -0.18 -2.42 1.35 0.00 -1.46 0.00 0.00 42.92 40.21 1wfm s ASP 22 CO 0.05 -0.98 1.66 0.00 0.52 0.00 0.00 175.17 176.42 1wfm h GLN 24 N 0.16 0.46 -0.02 0.00 1.08 -1.95 -1.31 115.11 113.52 1wfm h GLN 24 Ca 0.76 -0.03 0.00 0.00 -1.45 0.00 0.00 58.65 57.93 1wfm h GLN 24 Cb 2.31 -0.10 0.00 0.00 -0.05 0.00 0.00 27.48 29.63 1wfm h GLN 24 CO -0.38 0.30 -0.13 1.63 -0.95 0.00 0.00 178.83 179.30 1wfm n LYS 25 N -4.91 1.82 -2.09 1.46 5.02 0.48 -4.92 118.16 115.02 1wfm n LYS 25 Ca 0.05 -1.41 -0.09 0.00 -2.02 0.00 0.00 58.31 54.83 1wfm n LYS 25 Cb 0.15 -1.47 -0.02 0.00 -0.02 0.00 0.00 35.03 33.67 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 0.64 -0.62 -2.40 7.82 0.00 0.80 -4.90 120.51 121.85 1wfm n ALA 26 Ca 0.14 0.10 -0.32 0.00 0.00 0.00 0.00 53.44 53.36 1wfm n ALA 26 Cb 0.50 -1.21 -0.14 0.00 0.00 0.00 0.00 19.45 18.60 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 -4.34 2.31 0.62 0.00 2.02 -1.15 -1.64 118.70 116.52 1wfm s GLU 27 Ca 0.00 -0.81 -0.05 0.00 0.02 0.00 0.00 54.97 54.13 1wfm s GLU 27 Cb 0.00 -2.22 0.03 0.00 0.10 0.00 0.00 34.13 32.04 1wfm s GLU 27 CO 0.00 0.59 0.91 -1.17 0.02 0.00 0.00 175.26 175.62 1wfm s LEU 28 N -0.72 3.08 -0.24 1.80 2.96 0.38 -1.15 118.68 124.78 1wfm s LEU 28 Ca 0.11 0.45 -0.17 0.00 -0.22 0.00 0.00 54.13 54.31 1wfm s LEU 28 Cb -0.10 -3.21 0.07 0.00 0.50 0.00 0.00 46.19 43.44 1wfm s LEU 28 CO 0.00 -1.29 0.61 -0.36 -1.32 0.00 0.00 176.35 174.00 1wfm s PHE 29 N -3.04 -0.85 -0.61 5.38 0.40 0.47 -2.26 117.98 117.48 1wfm s PHE 29 Ca 0.57 1.82 0.06 0.00 -0.60 0.00 0.00 56.93 58.77 1wfm s PHE 29 Cb -0.11 0.43 0.22 0.00 0.51 0.00 0.00 43.02 44.07 1wfm s PHE 29 CO 0.43 -0.43 0.60 0.28 0.70 0.00 0.00 175.22 176.81 1wfm n VAL 30 N 3.79 1.44 -0.61 -0.44 0.31 0.66 0.46 118.33 123.94 1wfm n VAL 30 Ca -0.19 -4.80 0.00 0.00 -0.01 0.00 0.00 64.34 59.34 1wfm n VAL 30 Cb 0.57 -2.07 0.00 0.00 -0.91 0.00 0.00 33.84 31.43 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 1.45 0.00 -3.85 2.52 -2.24 0.36 -1.56 114.28 110.95 1wfm n THR 31 Ca 0.26 0.00 -0.34 0.00 -2.27 0.00 0.00 64.05 61.70 1wfm n THR 31 Cb 0.41 -1.98 0.02 0.00 -2.10 0.00 0.00 70.33 66.68 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 -0.58 -1.42 -3.20 -0.78 5.12 -1.26 0.19 116.66 114.73 1wfm n ARG 32 Ca 0.00 0.34 -0.40 0.00 -1.93 0.00 0.00 57.85 55.87 1wfm n ARG 32 Cb 0.00 -3.82 -0.07 0.00 -1.16 0.00 0.00 32.46 27.41 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 -6.84 4.09 -0.29 0.55 1.43 -1.26 -2.29 118.68 114.07 1wfm s LEU 33 Ca 0.36 0.64 0.02 0.00 -1.03 0.00 0.00 54.13 54.12 1wfm s LEU 33 Cb -0.15 -2.74 0.16 0.00 0.03 0.00 0.00 46.19 43.48 1wfm s LEU 33 CO 0.90 -0.27 0.39 -1.61 0.23 0.00 0.00 176.35 175.99 1wfm s GLU 34 N 2.12 0.41 0.10 1.70 2.02 -1.07 -2.65 118.70 121.33 1wfm s GLU 34 Ca 0.24 0.06 -0.30 0.00 0.02 0.00 0.00 54.97 54.99 1wfm s GLU 34 Cb -0.16 -0.36 -0.06 0.00 0.10 0.00 0.00 34.13 33.65 1wfm s GLU 34 CO 0.09 -1.04 1.07 0.00 0.02 0.00 0.00 175.26 175.41 1wfm s ALA 35 N 2.49 3.31 -0.65 5.21 0.00 -1.06 -0.73 121.76 130.33 1wfm s ALA 35 Ca 0.10 0.73 0.05 0.00 0.00 0.00 0.00 51.96 52.83 1wfm s ALA 35 Cb -0.13 -3.36 0.16 0.00 0.00 0.00 0.00 23.12 19.80 1wfm s ALA 35 CO -0.30 -0.23 0.43 0.08 0.00 0.00 0.00 175.76 175.74 1wfm s VAL 36 N 0.34 2.76 0.02 0.00 1.01 0.53 -2.73 120.40 122.34 1wfm s VAL 36 Ca 0.52 -4.01 -0.00 0.00 0.00 0.00 0.00 61.98 58.48 1wfm s VAL 36 Cb -0.27 -2.84 -0.00 0.00 0.00 0.00 0.00 36.38 33.27 1wfm s VAL 36 CO 0.31 -0.96 -0.01 0.35 0.00 0.00 0.00 175.10 174.79 1wfm n THR 37 N 2.27 0.41 -0.43 3.92 -2.24 -1.26 0.56 114.28 117.52 1wfm n THR 37 Ca 0.16 0.12 0.06 0.00 -2.27 0.00 0.00 64.05 62.11 1wfm n THR 37 Cb 0.34 -1.54 -0.02 0.00 -2.10 0.00 0.00 70.33 67.01 1wfm n THR 37 CO 0.00 0.00 0.00 -0.24 -0.57 0.00 0.00 175.07 174.26 1wfm n SER 38 N -3.18 -2.57 -4.45 3.42 2.88 -1.25 -4.73 113.62 103.74 1wfm n SER 38 Ca -0.01 0.29 -0.61 0.00 -1.33 0.00 0.00 58.87 57.21 1wfm n SER 38 Cb 0.36 -1.37 -0.11 0.00 -0.75 0.00 0.00 64.21 62.34 1wfm n SER 38 CO 0.00 0.00 0.00 0.59 -1.23 0.00 0.00 175.04 174.40 1wfm n ASN 39 N -2.91 1.16 0.00 -3.46 3.02 -1.26 -4.77 115.26 107.05 1wfm n ASN 39 Ca -0.01 0.83 0.00 0.00 -0.03 0.00 0.00 54.58 55.37 1wfm n ASN 39 Cb 0.20 -0.95 0.00 0.00 -0.61 0.00 0.00 39.78 38.42 1wfm n ASN 39 CO 0.00 0.00 0.00 1.57 -2.62 0.00 0.00 177.26 176.21 1wfm n HIS 40 N 6.59 0.00 -2.40 3.10 -0.00 -1.26 -5.06 115.22 116.19 1wfm n HIS 40 Ca 0.44 0.00 -0.00 0.00 0.46 0.00 0.00 57.72 58.62 1wfm n HIS 40 Cb -0.00 0.00 0.00 0.00 -0.12 0.00 0.00 29.99 29.87 1wfm n HIS 40 CO 0.00 0.00 0.00 -0.25 0.46 0.00 0.00 176.34 176.55 1wfm n ASP 41 N 0.00 -6.46 -0.79 0.26 9.92 -1.26 -5.07 116.55 113.15 1wfm n ASP 41 Ca 0.00 1.05 0.00 0.00 -0.53 0.00 0.00 54.79 55.31 1wfm n ASP 41 Cb 0.00 -4.21 0.00 0.00 -0.64 0.00 0.00 41.12 36.27 1wfm n ASP 41 CO 0.00 0.00 0.00 0.61 0.13 0.00 0.00 177.20 177.94 1wfm n GLY 42 N 0.51 1.50 0.00 0.44 0.00 -1.26 -5.09 105.19 101.29 1wfm n GLY 42 Ca 0.00 -0.88 0.00 0.00 0.00 0.00 0.00 46.02 45.14 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 -0.18 3.32 -0.02 0.00 -1.26 -5.14 105.19 101.91 1wfm n GLY 43 Ca 0.00 0.24 -0.31 0.00 0.00 0.00 0.00 46.02 45.96 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 -3.25 7.47 0.29 0.00 1.01 -1.26 -4.44 116.67 116.50 1wfm s ASP 45 Ca 0.69 1.97 0.09 0.00 0.71 0.00 0.00 52.55 56.00 1wfm s ASP 45 Cb -0.12 -2.60 -0.04 0.00 1.01 0.00 0.00 42.92 41.16 1wfm s ASP 45 CO 0.57 -0.03 0.10 0.00 0.21 0.00 0.00 175.17 176.02 1wfm s TYR 47 N -2.33 -0.53 0.04 0.00 1.13 -1.17 -0.69 117.35 113.81 1wfm s TYR 47 Ca 0.34 0.31 -0.16 0.00 -1.41 0.00 0.00 57.07 56.15 1wfm s TYR 47 Cb -0.05 0.55 -0.06 0.00 -1.10 0.00 0.00 41.96 41.30 1wfm s TYR 47 CO 0.22 -0.85 0.47 0.08 -2.51 0.00 0.00 175.55 172.97 1wfm s VAL 48 N -3.75 4.92 -0.04 -3.49 1.01 -1.26 -3.36 120.40 114.42 1wfm s VAL 48 Ca 0.01 0.96 0.04 0.00 0.00 0.00 0.00 61.98 62.99 1wfm s VAL 48 Cb -0.01 -3.78 -0.00 0.00 0.00 0.00 0.00 36.38 32.59 1wfm s VAL 48 CO -0.13 0.54 -0.16 -1.58 0.00 0.00 0.00 175.10 173.77 1wfm s GLN 49 N -1.17 1.68 -0.13 2.72 0.74 0.31 -1.92 119.66 121.89 1wfm s GLN 49 Ca 0.27 -0.56 0.03 0.00 0.05 0.00 0.00 55.36 55.15 1wfm s GLN 49 Cb -0.18 -1.46 0.01 0.00 1.10 0.00 0.00 33.01 32.48 1wfm s GLN 49 CO 0.16 0.21 -0.21 0.20 -0.55 0.00 0.00 175.29 175.10 1wfm s GLY 50 N 0.10 1.30 -0.11 2.59 0.00 0.48 0.14 107.32 111.83 1wfm s GLY 50 Ca -0.05 -1.01 0.03 0.00 0.00 0.00 0.00 44.72 43.69 1wfm s GLY 50 CO 0.02 -0.04 -0.19 -1.35 0.00 0.00 0.00 173.10 171.54 1wfm s SER 51 N 0.75 2.71 -0.12 1.64 1.04 -0.71 0.31 113.70 119.31 1wfm s SER 51 Ca -0.09 -0.49 0.03 0.00 0.48 0.00 0.00 55.95 55.88 1wfm s SER 51 Cb -0.16 -1.24 0.00 0.00 0.10 0.00 0.00 66.02 64.73 1wfm s SER 51 CO 0.00 0.08 -0.23 -0.69 0.98 0.00 0.00 173.24 173.39 1wfm s VAL 52 N 0.68 2.11 -0.26 5.02 1.01 0.21 -0.02 120.40 129.16 1wfm s VAL 52 Ca -0.12 -0.99 -0.03 0.00 0.00 0.00 0.00 61.98 60.84 1wfm s VAL 52 Cb -0.16 -1.82 0.02 0.00 0.00 0.00 0.00 36.38 34.41 1wfm s VAL 52 CO 0.03 0.55 -0.03 0.00 0.00 0.00 0.00 175.10 175.65 1wfm s ALA 53 N 0.54 2.79 0.42 5.51 0.00 -0.91 0.16 121.76 130.28 1wfm s ALA 53 Ca -0.14 -1.43 0.03 0.00 0.00 0.00 0.00 51.96 50.43 1wfm s ALA 53 Cb -0.17 -1.79 0.03 0.00 0.00 0.00 0.00 23.12 21.19 1wfm s ALA 53 CO 0.04 -0.79 0.25 0.27 0.00 0.00 0.00 175.76 175.52 1wfm n ASN 54 N 4.73 2.55 -0.09 0.00 0.23 -0.85 -2.77 115.26 119.06 1wfm n ASN 54 Ca -0.16 -2.55 0.08 0.00 -0.53 0.00 0.00 54.58 51.42 1wfm n ASN 54 Cb 0.48 0.04 0.42 0.00 -2.08 0.00 0.00 39.78 38.64 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 -1.39 1.12 -0.01 -3.83 1.74 -1.26 -2.89 116.66 110.14 1wfm n ARG 55 Ca -0.05 -0.18 0.04 0.00 -0.77 0.00 0.00 57.85 56.89 1wfm n ARG 55 Cb 0.49 -1.25 -0.09 0.00 -1.02 0.00 0.00 32.46 30.59 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 -0.55 0.09 0.00 0.55 -2.24 -1.26 -5.10 114.28 105.77 1wfm n THR 56 Ca 0.12 -0.29 0.00 0.00 -2.27 0.00 0.00 64.05 61.61 1wfm n THR 56 Cb 0.09 0.12 0.00 0.00 -2.10 0.00 0.00 70.33 68.44 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 1.91 -0.51 3.61 3.38 0.00 -1.14 -5.14 105.19 107.30 1wfm n GLY 57 Ca -0.04 0.19 -0.12 0.00 0.00 0.00 0.00 46.02 46.05 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 -0.54 0.20 1.61 1.04 -1.26 -2.01 113.70 108.74 1wfm s SER 58 Ca 0.00 0.93 0.10 0.00 0.48 0.00 0.00 55.95 57.46 1wfm s SER 58 Cb 0.00 0.91 -0.04 0.00 0.10 0.00 0.00 66.02 66.98 1wfm s SER 58 CO 0.00 -0.26 -0.20 0.68 0.98 0.00 0.00 173.24 174.45 1wfm s VAL 59 N -0.10 2.06 0.03 5.02 -7.23 0.41 -4.96 120.40 115.64 1wfm s VAL 59 Ca 0.00 -2.07 -0.03 0.00 -1.81 0.00 0.00 61.98 58.08 1wfm s VAL 59 Cb -0.04 -2.02 -0.02 0.00 0.56 0.00 0.00 36.38 34.86 1wfm s VAL 59 CO -0.01 -0.31 0.03 -1.61 -0.31 0.00 0.00 175.10 172.88 1wfm s GLU 60 N -2.98 0.49 -0.19 4.82 2.02 -1.26 0.63 118.70 122.23 1wfm s GLU 60 Ca 0.20 -0.79 -0.27 0.00 0.02 0.00 0.00 54.97 54.13 1wfm s GLU 60 Cb -0.06 0.18 0.08 0.00 0.10 0.00 0.00 34.13 34.44 1wfm s GLU 60 CO 0.09 -0.10 0.77 0.00 0.02 0.00 0.00 175.26 176.03 1wfm s ALA 61 N -2.43 -1.81 0.26 5.21 0.00 0.15 -4.97 121.76 118.17 1wfm s ALA 61 Ca -0.07 1.74 0.02 0.00 0.00 0.00 0.00 51.96 53.66 1wfm s ALA 61 Cb -0.03 -0.79 -0.04 0.00 0.00 0.00 0.00 23.12 22.26 1wfm s ALA 61 CO -0.04 -0.33 0.15 -0.65 0.00 0.00 0.00 175.76 174.89 1wfm s GLN 62 N -0.27 1.44 0.46 0.00 -0.21 -1.26 0.18 119.66 120.01 1wfm s GLN 62 Ca -0.03 -1.80 0.06 0.00 0.02 0.00 0.00 55.36 53.61 1wfm s GLN 62 Cb -0.03 0.06 -0.01 0.00 1.00 0.00 0.00 33.01 34.02 1wfm s GLN 62 CO 0.03 -0.43 0.28 0.95 -2.12 0.00 0.00 175.29 174.01 1wfm s THR 63 N -3.81 2.11 0.31 -0.19 -4.23 -0.81 -4.92 115.64 104.10 1wfm s THR 63 Ca 0.38 -1.57 -0.29 0.00 -1.18 0.00 0.00 61.69 59.02 1wfm s THR 63 Cb 0.06 -2.68 -0.11 0.00 1.34 0.00 0.00 72.50 71.11 1wfm s THR 63 CO 0.16 0.00 1.45 0.00 -0.54 0.00 0.00 174.62 175.69 1wfm s ALA 64 N -2.64 3.61 0.22 3.99 0.00 -1.26 -4.67 121.76 121.01 1wfm s ALA 64 Ca 0.38 1.43 -0.31 0.00 0.00 0.00 0.00 51.96 53.46 1wfm s ALA 64 Cb 0.00 -3.57 -0.10 0.00 0.00 0.00 0.00 23.12 19.45 1wfm s ALA 64 CO 0.22 -0.85 1.54 -0.51 0.00 0.00 0.00 175.76 176.16 1wfm s LEU 65 N -1.18 4.37 0.11 0.00 1.02 -1.26 -4.80 118.68 116.93 1wfm s LEU 65 Ca 0.56 2.72 0.06 0.00 0.02 0.00 0.00 54.13 57.50 1wfm s LEU 65 Cb -0.44 -3.61 -0.04 0.00 0.02 0.00 0.00 46.19 42.13 1wfm s LEU 65 CO 0.52 -0.81 -0.16 -0.54 0.02 0.00 0.00 176.35 175.37 1wfm s LYS 66 N 0.29 1.02 0.32 1.70 1.02 0.13 -4.91 119.74 119.30 1wfm s LYS 66 Ca 0.65 -1.17 -0.29 0.00 0.02 0.00 0.00 55.97 55.19 1wfm s LYS 66 Cb -0.44 -1.03 -0.10 0.00 -0.52 0.00 0.00 37.83 35.74 1wfm s LYS 66 CO 0.39 0.22 1.21 -1.59 -0.92 0.00 0.00 175.35 174.66 1wfm s LYS 67 N -2.28 4.43 0.19 1.68 0.00 -1.26 -1.15 119.74 121.36 1wfm s LYS 67 Ca 0.06 2.02 -0.33 0.00 0.00 0.00 0.00 55.97 57.73 1wfm s LYS 67 Cb -0.07 -3.07 -0.14 0.00 0.00 0.00 0.00 37.83 34.54 1wfm s LYS 67 CO 0.03 -0.05 1.46 2.89 0.00 0.00 0.00 175.35 179.68 1wfm n ARG 68 N 0.87 1.97 -3.91 1.78 1.85 -1.26 -4.89 116.66 113.07 1wfm n ARG 68 Ca -0.00 0.71 -0.09 0.00 -1.00 0.00 0.00 57.85 57.47 1wfm n ARG 68 Cb 0.43 -2.40 -0.08 0.00 -1.05 0.00 0.00 32.46 29.36 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 0.19 0.71 0.65 2.89 -1.52 -1.26 -5.00 119.66 116.32 1wfm s GLN 69 Ca 0.74 -0.88 0.35 0.00 -1.95 0.00 0.00 55.36 53.62 1wfm s GLN 69 Cb -0.69 0.28 1.90 0.00 -0.22 0.00 0.00 33.01 34.28 1wfm s GLN 69 CO 0.45 -0.20 2.07 1.25 -0.25 0.00 0.00 175.29 178.61 1wfm h LEU 70 N 3.19 0.00 -5.11 2.90 6.46 -1.93 -3.29 115.31 117.54 1wfm h LEU 70 Ca -0.33 0.00 -0.10 0.00 -0.12 0.00 0.00 57.88 57.33 1wfm h LEU 70 Cb 1.19 0.00 -0.16 0.00 -0.73 0.00 0.00 40.66 40.95 1wfm h LEU 70 CO 0.54 0.00 -0.41 -2.28 -0.62 0.00 0.00 178.44 175.68 1wfm s HIS 71 N -4.09 -1.35 0.53 1.25 5.04 -1.26 -4.30 115.29 111.10 1wfm s HIS 71 Ca -0.04 -0.38 -0.18 0.00 -1.54 0.00 0.00 55.06 52.92 1wfm s HIS 71 Cb 0.10 0.26 -0.06 0.00 0.04 0.00 0.00 32.58 32.92 1wfm s HIS 71 CO 0.32 -1.05 1.06 0.99 -2.34 0.00 0.00 174.74 173.72 1wfm s THR 72 N 1.02 3.71 0.05 0.89 2.01 -1.11 -4.92 115.64 117.29 1wfm s THR 72 Ca 0.27 0.97 -0.05 0.00 0.31 0.00 0.00 61.69 63.18 1wfm s THR 72 Cb 0.02 -3.40 -0.01 0.00 0.01 0.00 0.00 72.50 69.12 1wfm s THR 72 CO -0.07 -0.32 0.09 0.42 -0.69 0.00 0.00 174.62 174.05 1wfm s THR 73 N -2.12 0.14 0.27 -0.82 -4.23 -1.26 -2.56 115.64 105.06 1wfm s THR 73 Ca 0.67 -1.19 0.07 0.00 -1.18 0.00 0.00 61.69 60.06 1wfm s THR 73 Cb -0.17 -1.02 -0.06 0.00 1.34 0.00 0.00 72.50 72.60 1wfm s THR 73 CO 0.27 -0.66 -0.07 0.26 -0.54 0.00 0.00 174.62 173.88 1wfm s TRP 74 N -2.90 1.94 -0.16 3.99 0.51 -1.08 -5.02 118.94 116.21 1wfm s TRP 74 Ca -0.02 -0.67 -0.16 0.00 -2.12 0.00 0.00 56.10 53.13 1wfm s TRP 74 Cb 0.01 -1.07 -0.23 0.00 -0.81 0.00 0.00 33.47 31.36 1wfm s TRP 74 CO -0.06 0.31 0.33 0.93 -0.51 0.00 0.00 176.95 177.95 1wfm h GLU 75 N 2.31 0.13 -6.47 4.98 5.08 -1.99 -3.43 114.58 115.19 1wfm h GLU 75 Ca -0.40 -0.21 -0.45 0.00 -1.00 0.00 0.00 59.36 57.30 1wfm h GLU 75 Cb 1.23 0.08 0.02 0.00 0.50 0.00 0.00 28.75 30.58 1wfm h GLU 75 CO 0.66 1.10 -0.23 -1.83 -1.00 0.00 0.00 179.01 177.72 1wfm s GLU 76 N -2.44 2.66 0.00 2.33 -1.05 -1.26 -4.90 118.70 114.04 1wfm s GLU 76 Ca -0.25 -1.38 0.00 0.00 -0.15 0.00 0.00 54.97 53.19 1wfm s GLU 76 Cb 0.06 -2.69 0.00 0.00 -0.44 0.00 0.00 34.13 31.05 1wfm s GLU 76 CO 0.68 -0.43 0.00 0.41 0.95 0.00 0.00 175.26 176.87 1wfm n GLY 77 N -1.93 4.10 3.37 -3.83 0.00 -1.26 -4.73 105.19 100.91 1wfm n GLY 77 Ca 0.10 -2.18 -0.37 0.00 0.00 0.00 0.00 46.02 43.56 1wfm n GLY 77 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1wfm s LEU 78 N 0.00 3.82 -0.08 0.99 1.43 -0.60 -4.76 118.68 119.47 1wfm s LEU 78 Ca 0.00 -0.62 0.02 0.00 -1.03 0.00 0.00 54.13 52.50 1wfm s LEU 78 Cb 0.00 -1.90 -0.02 0.00 0.03 0.00 0.00 46.19 44.30 1wfm s LEU 78 CO 0.00 -0.17 -0.12 0.54 0.23 0.00 0.00 176.35 176.83 1wfm s VAL 79 N 1.53 3.19 0.01 -1.59 0.11 -1.25 0.24 120.40 122.64 1wfm s VAL 79 Ca 0.03 -0.65 0.02 0.00 -2.93 0.00 0.00 61.98 58.46 1wfm s VAL 79 Cb -0.17 -2.29 -0.01 0.00 -1.53 0.00 0.00 36.38 32.38 1wfm s VAL 79 CO 0.03 0.57 -0.08 -0.76 -3.33 0.00 0.00 175.10 171.53 1wfm s LEU 80 N -0.33 2.10 -0.01 2.54 1.43 -0.96 -4.74 118.68 118.70 1wfm s LEU 80 Ca 0.03 -0.28 -0.30 0.00 -1.03 0.00 0.00 54.13 52.56 1wfm s LEU 80 Cb -0.13 -0.34 -0.04 0.00 0.03 0.00 0.00 46.19 45.72 1wfm s LEU 80 CO 0.02 0.00 1.20 -2.16 0.23 0.00 0.00 176.35 175.65 1wfm s PRO 81 N -0.65 4.38 0.07 1.29 0.04 -1.26 0.14 135.00 139.01 1wfm s PRO 81 Ca -0.01 1.71 -0.16 0.00 0.04 0.00 0.00 61.00 62.58 1wfm s PRO 81 Cb -0.05 -3.49 0.03 0.00 0.04 0.00 0.00 34.50 31.03 1wfm s PRO 81 CO 0.00 -0.37 0.38 -1.17 0.04 0.00 0.00 177.00 175.88 1wfm s LEU 82 N 1.80 0.53 -0.12 -3.56 2.96 -0.65 -4.84 118.68 114.79 1wfm s LEU 82 Ca 0.57 -0.16 -0.05 0.00 -0.22 0.00 0.00 54.13 54.27 1wfm s LEU 82 Cb -0.26 1.67 -0.04 0.00 0.50 0.00 0.00 46.19 48.06 1wfm s LEU 82 CO 0.25 -0.72 0.05 0.00 -1.32 0.00 0.00 176.35 174.62 1wfm s ALA 83 N -2.96 3.47 0.61 5.97 0.00 -1.26 -4.30 121.76 123.29 1wfm s ALA 83 Ca -0.02 -0.74 0.29 0.00 0.00 0.00 0.00 51.96 51.49 1wfm s ALA 83 Cb 0.00 -1.74 1.57 0.00 0.00 0.00 0.00 23.12 22.95 1wfm s ALA 83 CO -0.06 0.47 1.94 1.49 0.00 0.00 0.00 175.76 179.61 1wfm h GLU 84 N 5.58 0.00 -0.00 0.00 4.81 -1.93 1.67 114.58 124.70 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 1.20 0.00 0.00 0.00 0.63 0.00 0.00 28.75 30.58 1wfm h GLU 84 CO 0.60 0.00 -0.07 -0.85 -0.73 0.00 0.00 179.01 177.96 1wfm n GLU 85 N -3.46 0.16 -0.06 1.92 0.28 -1.26 -2.96 120.64 115.27 1wfm n GLU 85 Ca 0.04 -0.02 0.03 0.00 -0.16 0.00 0.00 57.16 57.05 1wfm n GLU 85 Cb 0.51 -1.50 0.06 0.00 1.43 0.00 0.00 31.44 31.94 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 -1.40 1.57 0.05 3.44 1.02 0.56 -4.61 120.64 121.27 1wfm n GLU 86 Ca 0.09 -1.40 -0.11 0.00 -0.02 0.00 0.00 57.16 55.72 1wfm n GLU 86 Cb 0.31 -1.14 -0.05 0.00 -0.02 0.00 0.00 31.44 30.53 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 1.23 -0.22 -0.51 -4.62 3.38 -1.19 0.56 115.31 113.95 1wfm h LEU 87 Ca 0.00 0.03 0.00 0.00 0.09 0.00 0.00 57.88 58.00 1wfm h LEU 87 Cb 0.47 0.09 0.00 0.00 0.09 0.00 0.00 40.66 41.32 1wfm h LEU 87 CO 0.00 -0.11 0.00 1.55 0.09 0.00 0.00 178.44 179.97 1wfm h PRO 88 N -0.14 0.00 -0.45 1.13 0.13 -1.82 -2.88 132.00 127.97 1wfm h PRO 88 Ca 0.03 0.00 -0.19 0.00 -0.87 0.00 0.00 66.00 64.97 1wfm h PRO 88 Cb 0.17 0.00 -0.11 0.00 0.13 0.00 0.00 31.00 31.19 1wfm h PRO 88 CO -0.08 0.00 0.07 0.25 -0.23 0.00 0.00 178.00 178.01 1wfm n THR 89 N -2.60 2.61 -4.08 1.56 -2.24 -0.57 -4.95 114.28 104.01 1wfm n THR 89 Ca 0.03 -2.35 -0.07 0.00 -2.27 0.00 0.00 64.05 59.39 1wfm n THR 89 Cb 0.37 -0.33 -0.10 0.00 -2.10 0.00 0.00 70.33 68.17 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 -3.14 0.50 -0.07 6.98 0.00 0.19 -4.08 121.76 122.13 1wfm s ALA 90 Ca 0.47 -1.16 -0.07 0.00 0.00 0.00 0.00 51.96 51.20 1wfm s ALA 90 Cb 0.40 0.25 0.02 0.00 0.00 0.00 0.00 23.12 23.80 1wfm s ALA 90 CO 0.04 -0.35 0.20 0.99 0.00 0.00 0.00 175.76 176.65 1wfm s THR 91 N -3.70 -0.00 -0.35 0.00 2.01 -1.11 -4.43 115.64 108.06 1wfm s THR 91 Ca 0.05 0.01 -0.09 0.00 0.31 0.00 0.00 61.69 61.97 1wfm s THR 91 Cb 0.06 -0.28 0.02 0.00 0.01 0.00 0.00 72.50 72.31 1wfm s THR 91 CO -0.09 0.00 0.16 -0.22 -0.69 0.00 0.00 174.62 173.78 1wfm s LEU 92 N 0.18 4.43 -0.35 4.42 1.98 -1.16 -2.13 118.68 126.06 1wfm s LEU 92 Ca -0.01 -0.93 -0.07 0.00 -2.89 0.00 0.00 54.13 50.23 1wfm s LEU 92 Cb -0.02 -1.97 0.04 0.00 0.66 0.00 0.00 46.19 44.90 1wfm s LEU 92 CO -0.00 -0.32 0.12 -0.89 -1.89 0.00 0.00 176.35 173.37 1wfm s THR 93 N 1.52 3.90 0.31 3.68 2.01 0.98 -0.55 115.64 127.48 1wfm s THR 93 Ca 0.02 -1.11 -0.26 0.00 0.31 0.00 0.00 61.69 60.65 1wfm s THR 93 Cb -0.19 -3.21 -0.10 0.00 0.01 0.00 0.00 72.50 69.01 1wfm s THR 93 CO 0.05 -0.20 0.93 -0.76 -0.69 0.00 0.00 174.62 173.95 1wfm s LEU 94 N 1.42 4.37 -0.01 4.42 1.43 0.19 -1.75 118.68 128.76 1wfm s LEU 94 Ca -0.01 1.83 0.01 0.00 -1.03 0.00 0.00 54.13 54.92 1wfm s LEU 94 Cb -0.20 -3.94 0.01 0.00 0.03 0.00 0.00 46.19 42.09 1wfm s LEU 94 CO 0.03 -0.04 -0.01 0.42 0.23 0.00 0.00 176.35 176.98 1wfm s THR 95 N -1.56 0.14 -0.44 5.49 -4.23 0.37 -0.59 115.64 114.82 1wfm s THR 95 Ca 0.49 -0.03 -0.02 0.00 -1.18 0.00 0.00 61.69 60.95 1wfm s THR 95 Cb -0.19 -0.16 0.12 0.00 1.34 0.00 0.00 72.50 73.61 1wfm s THR 95 CO 0.24 0.07 0.23 -0.76 -0.54 0.00 0.00 174.62 173.86 1wfm s LEU 96 N 0.24 5.18 0.27 4.79 1.43 0.16 0.11 118.68 130.86 1wfm s LEU 96 Ca -0.02 -2.22 0.04 0.00 -1.03 0.00 0.00 54.13 50.90 1wfm s LEU 96 Cb -0.04 -1.81 -0.03 0.00 0.03 0.00 0.00 46.19 44.34 1wfm s LEU 96 CO -0.01 -0.49 0.41 -0.13 0.23 0.00 0.00 176.35 176.36 1wfm s ARG 97 N 0.87 3.45 -0.11 1.70 3.00 -1.21 0.21 118.95 126.86 1wfm s ARG 97 Ca 0.10 -0.63 -0.00 0.00 0.00 0.00 0.00 55.73 55.20 1wfm s ARG 97 Cb -0.22 -2.83 -0.02 0.00 0.00 0.00 0.00 34.95 31.88 1wfm s ARG 97 CO -0.04 0.35 -0.09 0.95 0.00 0.00 0.00 175.30 176.47 1wfm s THR 98 N -2.06 3.44 0.35 0.02 -4.23 -1.26 -3.03 115.64 108.86 1wfm s THR 98 Ca 0.36 -0.55 -0.23 0.00 -1.18 0.00 0.00 61.69 60.09 1wfm s THR 98 Cb -0.09 -2.44 -0.15 0.00 1.34 0.00 0.00 72.50 71.16 1wfm s THR 98 CO 0.31 0.54 0.30 0.00 -0.54 0.00 0.00 174.62 175.23 1wfm n ASP 100 N 2.05 0.63 0.00 0.00 9.92 -1.26 -4.76 116.55 123.13 1wfm n ASP 100 Ca 0.13 1.08 0.00 0.00 -0.53 0.00 0.00 54.79 55.47 1wfm n ASP 100 Cb 0.36 -1.24 0.00 0.00 -0.64 0.00 0.00 41.12 39.59 1wfm n ASP 100 CO 0.00 0.00 0.00 -1.14 0.13 0.00 0.00 177.20 176.19 1wfm n ARG 101 N 0.57 0.00 -1.12 -1.24 3.00 -1.26 -4.97 116.66 111.64 1wfm n ARG 101 Ca 0.11 0.00 -0.01 0.00 -0.00 0.00 0.00 57.85 57.94 1wfm n ARG 101 Cb 0.35 -0.01 -0.02 0.00 0.00 0.00 0.00 32.46 32.78 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 -2.30 0.00 -3.41 -0.14 3.72 -1.26 -5.03 117.46 109.04 1wfm n PHE 102 Ca 0.00 -0.41 -0.14 0.00 -0.05 0.00 0.00 57.45 56.85 1wfm n PHE 102 Cb 0.00 0.17 0.01 0.00 -0.94 0.00 0.00 39.48 38.72 1wfm n PHE 102 CO 0.00 0.00 0.00 0.43 -0.05 0.00 0.00 176.76 177.14 1wfm n SER 103 N 0.20 -6.39 -4.78 4.37 7.64 -1.26 -4.92 113.62 108.48 1wfm n SER 103 Ca -0.09 -0.54 -0.37 0.00 1.01 0.00 0.00 58.87 58.88 1wfm n SER 103 Cb 0.87 -3.79 -0.04 0.00 -1.01 0.00 0.00 64.21 60.24 1wfm n SER 103 CO 0.00 0.00 0.00 -0.13 -3.01 0.00 0.00 175.04 171.90 1wfm s ARG 104 N -4.17 4.10 0.40 1.43 3.00 -1.26 -5.03 118.95 117.42 1wfm s ARG 104 Ca 0.09 1.56 -0.10 0.00 0.00 0.00 0.00 55.73 57.29 1wfm s ARG 104 Cb -0.03 -2.53 -0.06 0.00 0.00 0.00 0.00 34.95 32.33 1wfm s ARG 104 CO 0.82 -0.20 0.75 -1.01 0.00 0.00 0.00 175.30 175.65 1wfm s HIS 105 N -1.63 3.48 0.20 -0.53 3.76 -1.26 -4.93 115.29 114.38 1wfm s HIS 105 Ca 0.59 0.99 0.00 0.00 -0.15 0.00 0.00 55.06 56.48 1wfm s HIS 105 Cb -0.23 -2.40 0.00 0.00 1.11 0.00 0.00 32.58 31.06 1wfm s HIS 105 CO 0.29 -0.09 0.00 -1.13 -0.85 0.00 0.00 174.74 172.96 1wfm n SER 106 N -1.32 -5.18 -4.96 1.40 3.41 -1.26 -4.83 113.62 100.87 1wfm n SER 106 Ca 0.02 0.35 -0.22 0.00 -0.26 0.00 0.00 58.87 58.76 1wfm n SER 106 Cb 0.54 -2.84 0.01 0.00 -0.26 0.00 0.00 64.21 61.66 1wfm n SER 106 CO 0.00 0.00 0.00 0.68 -0.16 0.00 0.00 175.04 175.56 1wfm s VAL 107 N -1.74 4.00 0.28 -3.33 -7.23 -1.26 -4.96 120.40 106.16 1wfm s VAL 107 Ca 0.00 -0.64 0.36 0.00 -1.81 0.00 0.00 61.98 59.89 1wfm s VAL 107 Cb 0.00 -3.45 0.40 0.00 0.56 0.00 0.00 36.38 33.88 1wfm s VAL 107 CO 0.00 -0.28 2.10 0.00 -0.31 0.00 0.00 175.10 176.61 1wfm h ALA 108 N 0.53 1.02 0.00 1.32 0.00 0.22 -3.45 119.26 118.89 1wfm h ALA 108 Ca -0.46 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.44 1wfm h ALA 108 Cb 1.25 -0.00 0.00 0.00 0.00 0.00 0.00 17.79 19.04 1wfm h ALA 108 CO 0.56 0.02 0.00 0.41 0.00 0.00 0.00 179.25 180.24 1wfm n GLY 109 N -0.32 1.41 3.32 0.00 0.00 -1.12 -4.68 105.19 103.81 1wfm n GLY 109 Ca -0.01 -0.18 -0.31 0.00 0.00 0.00 0.00 46.02 45.52 1wfm n GLY 109 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 1wfm s GLU 110 N -1.63 2.22 -0.24 1.61 2.02 -1.26 -0.67 118.70 120.75 1wfm s GLU 110 Ca 0.00 -0.90 -0.03 0.00 0.02 0.00 0.00 54.97 54.06 1wfm s GLU 110 Cb 0.00 -2.10 0.08 0.00 0.10 0.00 0.00 34.13 32.22 1wfm s GLU 110 CO 0.00 0.54 0.09 -1.17 0.02 0.00 0.00 175.26 174.75 1wfm s LEU 111 N -0.56 0.91 0.48 1.80 1.98 0.25 0.21 118.68 123.75 1wfm s LEU 111 Ca 0.08 -1.07 -0.16 0.00 -2.89 0.00 0.00 54.13 50.10 1wfm s LEU 111 Cb -0.11 -0.46 -0.08 0.00 0.66 0.00 0.00 46.19 46.21 1wfm s LEU 111 CO -0.00 -0.38 0.94 -0.60 -1.89 0.00 0.00 176.35 174.41 1wfm s ARG 112 N 1.98 3.94 0.29 1.98 3.52 -1.26 0.55 118.95 129.94 1wfm s ARG 112 Ca 0.05 0.87 -0.12 0.00 -0.13 0.00 0.00 55.73 56.40 1wfm s ARG 112 Cb -0.16 -2.19 0.01 0.00 -1.56 0.00 0.00 34.95 31.04 1wfm s ARG 112 CO -0.21 -0.20 0.55 -0.51 -0.81 0.00 0.00 175.30 174.12 1wfm s LEU 113 N -3.94 0.35 0.16 -0.88 1.43 0.29 -4.90 118.68 111.18 1wfm s LEU 113 Ca 0.58 -1.04 0.07 0.00 -1.03 0.00 0.00 54.13 52.71 1wfm s LEU 113 Cb -0.10 1.98 -0.04 0.00 0.03 0.00 0.00 46.19 48.06 1wfm s LEU 113 CO 0.30 -1.28 -0.16 -0.83 0.23 0.00 0.00 176.35 174.61 1wfm s GLY 114 N -3.06 1.29 -0.11 -3.19 0.00 -1.26 -2.98 107.32 98.01 1wfm s GLY 114 Ca 0.22 -1.46 0.10 0.00 0.00 0.00 0.00 44.72 43.58 1wfm s GLY 114 CO 0.11 -1.52 0.04 1.04 0.00 0.00 0.00 173.10 172.77 1wfm n LEU 115 N 0.25 0.05 0.11 0.66 7.99 -1.26 -4.42 117.00 120.37 1wfm n LEU 115 Ca -0.13 -0.00 0.19 0.00 -0.01 0.00 0.00 56.01 56.05 1wfm n LEU 115 Cb 0.58 0.26 0.75 0.00 -0.11 0.00 0.00 43.42 44.90 1wfm n LEU 115 CO 0.29 0.28 1.16 -2.24 -1.51 0.00 0.00 177.39 175.38 1wfm h ASP 116 N 0.00 0.00 -0.03 -1.43 2.03 -1.84 -3.45 116.42 111.69 1wfm h ASP 116 Ca -0.30 0.00 0.00 0.00 -0.73 0.00 0.00 57.03 56.00 1wfm h ASP 116 Cb 1.68 0.00 0.00 0.00 -0.83 0.00 0.00 39.33 40.18 1wfm h ASP 116 CO 0.02 0.00 0.00 0.61 -1.03 0.00 0.00 179.24 178.84 1wfm n GLY 117 N -1.52 1.58 0.19 7.15 0.00 -1.26 -4.96 105.19 106.37 1wfm n GLY 117 Ca 0.06 -0.15 -0.17 0.00 0.00 0.00 0.00 46.02 45.75 1wfm n GLY 117 CO 0.00 0.00 0.00 -0.37 0.00 0.00 0.00 173.32 172.95 1wfm n THR 118 N -1.33 1.44 0.18 2.61 5.66 -1.26 -4.69 114.28 116.88 1wfm n THR 118 Ca 0.00 -0.08 -0.11 0.00 -3.05 0.00 0.00 64.05 60.81 1wfm n THR 118 Cb 0.09 -2.08 -0.06 0.00 -1.55 0.00 0.00 70.33 66.72 1wfm n THR 118 CO 0.00 0.00 0.00 0.28 -3.05 0.00 0.00 175.07 172.30 1wfm h SER 119 N -0.91 -0.43 -3.95 1.09 0.02 -1.95 -3.46 113.55 103.96 1wfm h SER 119 Ca -0.30 -0.12 -0.38 0.00 -0.84 0.00 0.00 61.79 60.15 1wfm h SER 119 Cb 1.22 0.11 -0.29 0.00 0.14 0.00 0.00 62.40 63.58 1wfm h SER 119 CO -0.18 0.01 -0.77 0.68 -1.14 0.00 0.00 176.83 175.42 1wfm s VAL 120 N -3.92 0.62 0.89 2.27 -7.23 -1.26 -4.96 120.40 106.81 1wfm s VAL 120 Ca -0.12 -0.32 -0.12 0.00 -1.81 0.00 0.00 61.98 59.61 1wfm s VAL 120 Cb 0.01 -0.53 0.13 0.00 0.56 0.00 0.00 36.38 36.55 1wfm s VAL 120 CO 0.41 0.18 1.13 -2.16 -0.31 0.00 0.00 175.10 174.35 1wfm s PRO 121 N -0.10 1.28 0.29 4.82 0.04 -1.26 -4.29 135.00 135.78 1wfm s PRO 121 Ca 0.02 0.34 0.03 0.00 0.04 0.00 0.00 61.00 61.43 1wfm s PRO 121 Cb -0.04 -1.85 -0.03 0.00 0.04 0.00 0.00 34.50 32.62 1wfm s PRO 121 CO -0.00 -2.11 0.45 -0.51 0.04 0.00 0.00 177.00 174.87 1wfm s LEU 122 N -5.99 4.17 -1.07 -3.56 1.43 -1.26 -4.23 118.68 108.17 1wfm s LEU 122 Ca 0.63 0.24 0.00 0.00 -1.03 0.00 0.00 54.13 53.97 1wfm s LEU 122 Cb -0.15 -3.06 0.00 0.00 0.03 0.00 0.00 46.19 43.01 1wfm s LEU 122 CO 0.53 -0.18 0.00 0.61 0.23 0.00 0.00 176.35 177.54 1wfm n GLY 123 N -1.59 0.36 2.85 -3.19 0.00 0.50 -4.88 105.19 99.24 1wfm n GLY 123 Ca -0.07 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.65 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 -2.21 2.10 0.07 4.61 0.00 -1.26 -5.03 121.76 120.04 1wfm s ALA 124 Ca 0.00 -2.02 -0.32 0.00 0.00 0.00 0.00 51.96 49.62 1wfm s ALA 124 Cb 0.00 -1.76 -0.11 0.00 0.00 0.00 0.00 23.12 21.25 1wfm s ALA 124 CO 0.00 -1.67 1.83 0.00 0.00 0.00 0.00 175.76 175.92 1wfm n ALA 125 N 4.60 1.73 -2.11 0.00 0.00 -1.26 -4.59 120.51 118.87 1wfm n ALA 125 Ca 0.00 0.31 -0.08 0.00 0.00 0.00 0.00 53.44 53.68 1wfm n ALA 125 Cb 0.42 -2.55 -0.10 0.00 0.00 0.00 0.00 19.45 17.22 1wfm n ALA 125 CO 0.00 0.00 0.00 1.14 0.00 0.00 0.00 177.50 178.64 1wfm s GLN 126 N 2.97 0.69 0.13 0.00 -2.07 -1.16 -5.04 119.66 115.18 1wfm s GLN 126 Ca 0.85 -1.26 0.04 0.00 -1.82 0.00 0.00 55.36 53.17 1wfm s GLN 126 Cb -0.55 0.12 -0.04 0.00 -1.09 0.00 0.00 33.01 31.45 1wfm s GLN 126 CO 0.41 -0.10 0.11 -1.58 -1.32 0.00 0.00 175.29 172.80 1wfm s TRP 127 N -3.86 3.15 -0.04 9.60 0.52 -1.26 -2.57 118.94 124.47 1wfm s TRP 127 Ca 0.09 0.01 -0.08 0.00 0.02 0.00 0.00 56.10 56.15 1wfm s TRP 127 Cb 0.07 -1.55 0.01 0.00 -1.15 0.00 0.00 33.47 30.86 1wfm s TRP 127 CO -0.08 0.52 0.19 0.20 0.02 0.00 0.00 176.95 177.80 1wfm s GLY 128 N -2.82 -0.08 -0.17 0.98 0.00 -0.84 -4.98 107.32 99.41 1wfm s GLY 128 Ca 0.30 0.27 -0.19 0.00 0.00 0.00 0.00 44.72 45.10 1wfm s GLY 128 CO 0.23 0.16 0.53 -0.54 0.00 0.00 0.00 173.10 173.47 1wfm s GLU 129 N -0.63 4.24 0.22 2.90 2.02 -1.26 0.14 118.70 126.32 1wfm s GLU 129 Ca -0.07 0.47 -0.31 0.00 0.02 0.00 0.00 54.97 55.08 1wfm s GLU 129 Cb -0.04 -3.53 -0.11 0.00 0.10 0.00 0.00 34.13 30.54 1wfm s GLU 129 CO 0.01 -0.08 1.65 -0.51 0.02 0.00 0.00 175.26 176.35 1wfm s LEU 130 N 1.40 4.37 -1.00 1.80 1.43 0.12 -4.79 118.68 122.01 1wfm s LEU 130 Ca 0.26 2.82 -0.02 0.00 -1.03 0.00 0.00 54.13 56.15 1wfm s LEU 130 Cb -0.15 -3.61 0.26 0.00 0.03 0.00 0.00 46.19 42.72 1wfm s LEU 130 CO 0.10 -0.91 2.08 0.29 0.23 0.00 0.00 176.35 178.13 1wfm n LYS 131 N 3.56 4.45 -0.27 1.70 5.02 0.58 -4.70 118.16 128.49 1wfm n LYS 131 Ca 0.13 -3.96 0.18 0.00 -2.02 0.00 0.00 58.31 52.64 1wfm n LYS 131 Cb 0.37 -2.43 0.33 0.00 -0.02 0.00 0.00 35.03 33.28 1wfm n LYS 131 CO 0.00 0.00 0.00 0.25 -0.52 0.00 0.00 177.40 177.13 1wfm n THR 132 N 0.31 -0.34 0.00 -0.18 -2.24 -1.26 0.13 114.28 110.70 1wfm n THR 132 Ca 0.52 1.72 -0.07 0.00 -2.27 0.00 0.00 64.05 63.95 1wfm n THR 132 Cb 0.28 -2.62 -0.04 0.00 -2.10 0.00 0.00 70.33 65.84 1wfm n THR 132 CO 0.00 0.00 0.00 -1.28 -0.57 0.00 0.00 175.07 173.22 1wfm h SER 133 N 0.00 -0.74 -1.85 3.42 0.87 -1.95 -3.45 113.55 109.85 1wfm h SER 133 Ca 0.57 0.09 0.22 0.00 -1.23 0.00 0.00 61.79 61.44 1wfm h SER 133 Cb 1.34 0.29 -0.06 0.00 -0.44 0.00 0.00 62.40 63.53 1wfm h SER 133 CO -0.70 -0.21 -0.29 0.61 -0.53 0.00 0.00 176.83 175.70 1wfm n GLY 134 N -1.19 -1.09 0.08 5.77 0.00 0.12 -4.48 105.19 104.40 1wfm n GLY 134 Ca -0.03 -0.67 -0.14 0.00 0.00 0.00 0.00 46.02 45.18 1wfm n GLY 134 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1wfm h PRO 135 N 0.00 0.07 0.00 1.61 0.13 -1.91 -3.48 132.00 128.42 1wfm h PRO 135 Ca 0.02 -0.07 0.00 0.00 -0.87 0.00 0.00 66.00 65.08 1wfm h PRO 135 Cb 0.74 0.02 0.00 0.00 0.13 0.00 0.00 31.00 31.89 1wfm h PRO 135 CO 0.01 0.80 0.00 0.45 -0.23 0.00 0.00 178.00 179.03 1wfm n SER 136 N -4.65 -2.28 -3.44 1.44 2.88 -1.26 -5.12 113.62 101.19 1wfm n SER 136 Ca -0.09 0.65 0.01 0.00 -1.33 0.00 0.00 58.87 58.11 1wfm n SER 136 Cb 0.41 2.32 -0.03 0.00 -0.75 0.00 0.00 64.21 66.16 1wfm n SER 136 CO 0.00 0.00 0.00 -0.44 -1.23 0.00 0.00 175.04 173.37 1wfm s SER 137 N -2.00 -1.20 0.00 -3.46 0.01 -1.26 -4.65 113.70 101.14 1wfm s SER 137 Ca 0.00 1.26 0.00 0.00 1.31 0.00 0.00 55.95 58.52 1wfm s SER 137 Cb 0.00 2.21 0.00 0.00 0.21 0.00 0.00 66.02 68.44 1wfm s SER 137 CO 0.00 -0.24 0.00 0.61 0.41 0.00 0.00 173.24 174.02