#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 -3.63 1.61 7.64 -1.26 -5.19 113.62 112.78 1wfm n SER 2 Ca 0.00 0.00 0.01 0.00 1.01 0.00 0.00 58.87 59.89 1wfm n SER 2 Cb 0.00 0.00 -0.00 0.00 -1.01 0.00 0.00 64.21 63.20 1wfm n SER 2 CO 0.00 0.00 0.00 -0.94 -3.01 0.00 0.00 175.04 171.09 1wfm s SER 3 N 0.00 -0.06 0.32 6.43 1.04 -1.26 -5.19 113.70 114.98 1wfm s SER 3 Ca 0.00 -0.16 -0.06 0.00 0.48 0.00 0.00 55.95 56.21 1wfm s SER 3 Cb 0.00 0.18 0.03 0.00 0.10 0.00 0.00 66.02 66.32 1wfm s SER 3 CO 0.00 -0.33 0.53 0.61 0.98 0.00 0.00 173.24 175.03 1wfm n GLY 4 N -0.52 1.77 3.60 7.32 0.00 -1.26 -5.19 105.19 110.92 1wfm n GLY 4 Ca -0.08 -1.43 -0.03 0.00 0.00 0.00 0.00 46.02 44.49 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 -2.83 -0.12 -0.13 1.61 0.15 -1.26 -5.14 113.70 105.98 1wfm s SER 5 Ca 0.20 -0.05 -0.33 0.00 0.70 0.00 0.00 55.95 56.47 1wfm s SER 5 Cb -0.02 0.16 0.13 0.00 -1.71 0.00 0.00 66.02 64.58 1wfm s SER 5 CO 0.15 -0.27 1.24 -0.94 1.20 0.00 0.00 173.24 174.61 1wfm s SER 6 N -2.45 -0.11 0.00 5.45 1.04 -1.26 -5.19 113.70 111.18 1wfm s SER 6 Ca 0.11 -0.05 0.00 0.00 0.48 0.00 0.00 55.95 56.49 1wfm s SER 6 Cb 0.01 0.15 0.00 0.00 0.10 0.00 0.00 66.02 66.28 1wfm s SER 6 CO -0.04 -0.26 0.00 0.61 0.98 0.00 0.00 173.24 174.53 1wfm n GLY 7 N -0.23 0.96 0.00 7.32 0.00 -1.26 -5.18 105.19 106.79 1wfm n GLY 7 Ca -0.03 -0.84 0.00 0.00 0.00 0.00 0.00 46.02 45.16 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 -3.61 1.61 2.88 -1.26 -5.19 113.62 108.05 1wfm n SER 8 Ca 0.00 0.00 -0.03 0.00 -1.33 0.00 0.00 58.87 57.51 1wfm n SER 8 Cb 0.00 0.00 -0.02 0.00 -0.75 0.00 0.00 64.21 63.44 1wfm n SER 8 CO 0.00 0.00 0.00 -1.66 -1.23 0.00 0.00 175.04 172.15 1wfm s TRP 9 N -1.43 -0.08 -0.19 0.66 -2.14 -1.26 -5.08 118.94 109.43 1wfm s TRP 9 Ca 0.00 0.04 -0.15 0.00 2.66 0.00 0.00 56.10 58.65 1wfm s TRP 9 Cb 0.00 0.51 -0.09 0.00 -3.10 0.00 0.00 33.47 30.79 1wfm s TRP 9 CO 0.00 -0.13 -0.12 0.09 -2.66 0.00 0.00 176.95 174.13 1wfm n ASN 10 N -0.09 1.87 -4.77 -2.66 3.02 -1.26 -4.98 115.26 106.39 1wfm n ASN 10 Ca 0.02 0.48 -0.29 0.00 -0.03 0.00 0.00 54.58 54.76 1wfm n ASN 10 Cb 0.58 -0.87 0.11 0.00 -0.61 0.00 0.00 39.78 38.99 1wfm n ASN 10 CO 0.00 0.00 0.00 -1.10 -2.62 0.00 0.00 177.26 173.54 1wfm s GLN 11 N -2.43 1.74 0.14 3.52 1.11 -1.26 -5.09 119.66 117.39 1wfm s GLN 11 Ca -0.24 0.02 0.08 0.00 0.01 0.00 0.00 55.36 55.22 1wfm s GLN 11 Cb 0.05 -1.93 -0.04 0.00 -1.01 0.00 0.00 33.01 30.08 1wfm s GLN 11 CO 0.40 -1.74 -0.10 0.00 0.01 0.00 0.00 175.29 173.86 1wfm s ALA 12 N -3.63 2.93 -0.09 6.09 0.00 -1.26 -5.06 121.76 120.74 1wfm s ALA 12 Ca 0.64 -1.36 -0.30 0.00 0.00 0.00 0.00 51.96 50.94 1wfm s ALA 12 Cb -0.10 -0.80 -0.03 0.00 0.00 0.00 0.00 23.12 22.19 1wfm s ALA 12 CO 0.50 0.55 1.24 -1.25 0.00 0.00 0.00 175.76 176.80 1wfm s PRO 13 N -2.51 4.30 -0.06 0.00 0.04 -1.26 -4.85 135.00 130.67 1wfm s PRO 13 Ca 0.23 1.69 -0.01 0.00 0.04 0.00 0.00 61.00 62.95 1wfm s PRO 13 Cb -0.10 -3.63 -0.03 0.00 0.04 0.00 0.00 34.50 30.77 1wfm s PRO 13 CO 0.14 -0.55 0.01 0.15 0.04 0.00 0.00 177.00 176.80 1wfm s LYS 14 N 2.68 2.95 -0.20 4.56 1.02 -0.65 0.13 119.74 130.23 1wfm s LYS 14 Ca 0.56 -0.46 -0.04 0.00 0.02 0.00 0.00 55.97 56.05 1wfm s LYS 14 Cb -0.24 -2.78 0.07 0.00 -0.52 0.00 0.00 37.83 34.36 1wfm s LYS 14 CO 0.20 0.68 0.09 -1.17 -0.92 0.00 0.00 175.35 174.23 1wfm s LEU 15 N -1.13 0.58 0.26 3.17 2.96 -0.70 0.19 118.68 124.01 1wfm s LEU 15 Ca 0.16 -0.83 -0.29 0.00 -0.22 0.00 0.00 54.13 52.95 1wfm s LEU 15 Cb -0.11 -0.34 -0.09 0.00 0.50 0.00 0.00 46.19 46.14 1wfm s LEU 15 CO 0.05 -0.37 0.96 -2.28 -1.32 0.00 0.00 176.35 173.40 1wfm s HIS 16 N 2.07 3.87 -0.13 5.38 5.65 -0.29 -3.32 115.29 128.52 1wfm s HIS 16 Ca 0.03 1.86 -0.26 0.00 0.25 0.00 0.00 55.06 56.94 1wfm s HIS 16 Cb -0.16 -3.01 0.06 0.00 -1.18 0.00 0.00 32.58 28.30 1wfm s HIS 16 CO -0.16 0.27 0.64 1.52 -0.65 0.00 0.00 174.74 176.37 1wfm s TYR 17 N -1.28 -0.64 -0.39 3.88 -0.85 -0.78 -2.35 117.35 114.94 1wfm s TYR 17 Ca 0.44 1.31 0.03 0.00 -0.52 0.00 0.00 57.07 58.32 1wfm s TYR 17 Cb -0.25 0.32 0.11 0.00 0.38 0.00 0.00 41.96 42.52 1wfm s TYR 17 CO 0.31 -0.49 0.12 0.00 -1.52 0.00 0.00 175.55 173.98 1wfm s LEU 19 N 0.66 4.46 -0.26 0.00 1.43 -1.23 -2.26 118.68 121.48 1wfm s LEU 19 Ca 0.13 2.15 -0.06 0.00 -1.03 0.00 0.00 54.13 55.32 1wfm s LEU 19 Cb -0.21 -3.60 0.13 0.00 0.03 0.00 0.00 46.19 42.54 1wfm s LEU 19 CO -0.08 -0.32 0.52 -0.62 0.23 0.00 0.00 176.35 176.08 1wfm s ASP 20 N 0.12 -0.68 -0.25 2.29 -1.08 -0.84 0.21 116.67 116.44 1wfm s ASP 20 Ca 0.52 1.00 -0.13 0.00 -0.52 0.00 0.00 52.55 53.42 1wfm s ASP 20 Cb -0.31 1.77 -0.04 0.00 -1.46 0.00 0.00 42.92 42.88 1wfm s ASP 20 CO 0.35 -0.25 0.27 -0.47 0.52 0.00 0.00 175.17 175.60 1wfm s TYR 21 N 2.74 3.28 -0.95 -5.34 5.04 -1.26 -1.92 117.35 118.94 1wfm s TYR 21 Ca 0.05 0.32 -0.13 0.00 -2.44 0.00 0.00 57.07 54.87 1wfm s TYR 21 Cb -0.13 -2.43 0.22 0.00 0.35 0.00 0.00 41.96 39.97 1wfm s TYR 21 CO -0.17 -0.09 0.96 0.34 -1.34 0.00 0.00 175.55 175.25 1wfm s ASP 22 N 1.40 6.95 0.50 4.32 -1.08 -1.16 -4.86 116.67 122.74 1wfm s ASP 22 Ca 0.12 -2.92 0.39 0.00 -0.52 0.00 0.00 52.55 49.61 1wfm s ASP 22 Cb -0.15 -2.24 1.56 0.00 -1.46 0.00 0.00 42.92 40.63 1wfm s ASP 22 CO 0.08 -0.55 1.63 0.00 0.52 0.00 0.00 175.17 176.86 1wfm h GLN 24 N 0.05 0.16 0.00 0.00 4.20 -1.97 -2.70 115.11 114.84 1wfm h GLN 24 Ca 0.82 -0.01 -0.12 0.00 0.06 0.00 0.00 58.65 59.40 1wfm h GLN 24 Cb 2.98 -0.04 -0.02 0.00 0.30 0.00 0.00 27.48 30.70 1wfm h GLN 24 CO -0.20 0.10 -1.06 0.87 -0.67 0.00 0.00 178.83 177.88 1wfm h LYS 25 N 0.16 0.00 -4.32 1.46 1.57 0.18 -3.48 116.57 112.14 1wfm h LYS 25 Ca 0.07 0.00 -0.27 0.00 -1.87 0.00 0.00 60.65 58.58 1wfm h LYS 25 Cb 0.03 0.00 0.10 0.00 0.08 0.00 0.00 32.23 32.44 1wfm h LYS 25 CO -0.06 0.30 -0.47 0.00 -0.57 0.00 0.00 179.45 178.65 1wfm n ALA 26 N -2.31 -0.93 -3.12 3.86 0.00 0.67 -4.94 120.51 113.74 1wfm n ALA 26 Ca -0.05 0.26 -0.13 0.00 0.00 0.00 0.00 53.44 53.52 1wfm n ALA 26 Cb 0.76 -3.78 -0.14 0.00 0.00 0.00 0.00 19.45 16.29 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 -5.83 0.04 0.27 0.00 2.02 -1.24 -1.36 118.70 112.61 1wfm s GLU 27 Ca 0.37 0.11 -0.28 0.00 0.02 0.00 0.00 54.97 55.20 1wfm s GLU 27 Cb -0.16 -0.03 -0.09 0.00 0.10 0.00 0.00 34.13 33.94 1wfm s GLU 27 CO 0.50 -0.05 0.93 -1.17 0.02 0.00 0.00 175.26 175.49 1wfm s LEU 28 N 0.29 4.50 0.08 1.80 1.98 0.81 -2.97 118.68 125.17 1wfm s LEU 28 Ca -0.02 1.87 0.09 0.00 -2.89 0.00 0.00 54.13 53.17 1wfm s LEU 28 Cb -0.03 -3.78 -0.03 0.00 0.66 0.00 0.00 46.19 43.01 1wfm s LEU 28 CO -0.01 0.06 -0.23 -0.36 -1.89 0.00 0.00 176.35 173.92 1wfm s PHE 29 N -1.39 1.97 -0.48 5.38 0.40 -0.81 0.11 117.98 123.17 1wfm s PHE 29 Ca 0.45 -0.40 0.07 0.00 -0.60 0.00 0.00 56.93 56.46 1wfm s PHE 29 Cb -0.22 -1.11 0.25 0.00 0.51 0.00 0.00 43.02 42.45 1wfm s PHE 29 CO 0.28 0.19 0.61 0.28 0.70 0.00 0.00 175.22 177.28 1wfm n VAL 30 N 1.34 0.43 -0.68 -0.44 0.31 -1.03 -1.99 118.33 116.27 1wfm n VAL 30 Ca -0.18 -4.46 0.00 0.00 -0.01 0.00 0.00 64.34 59.69 1wfm n VAL 30 Cb 0.53 -1.98 0.00 0.00 -0.91 0.00 0.00 33.84 31.48 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 1.18 0.00 -3.73 2.52 -2.24 -0.96 -2.95 114.28 108.10 1wfm n THR 31 Ca 0.24 0.00 -0.32 0.00 -2.27 0.00 0.00 64.05 61.70 1wfm n THR 31 Cb 0.49 -1.92 0.03 0.00 -2.10 0.00 0.00 70.33 66.83 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 -0.52 -1.06 -3.22 -0.78 5.12 -1.26 0.17 116.66 115.10 1wfm n ARG 32 Ca 0.00 0.48 -0.40 0.00 -1.93 0.00 0.00 57.85 56.00 1wfm n ARG 32 Cb 0.00 -3.71 -0.08 0.00 -1.16 0.00 0.00 32.46 27.52 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 -6.34 4.12 -0.36 0.55 1.43 -1.25 -1.87 118.68 114.97 1wfm s LEU 33 Ca 0.40 0.39 0.02 0.00 -1.03 0.00 0.00 54.13 53.91 1wfm s LEU 33 Cb -0.16 -2.66 0.15 0.00 0.03 0.00 0.00 46.19 43.55 1wfm s LEU 33 CO 0.88 -0.35 0.35 -1.61 0.23 0.00 0.00 176.35 175.85 1wfm s GLU 34 N 2.37 0.58 0.44 1.70 2.02 -0.99 -2.46 118.70 122.37 1wfm s GLU 34 Ca 0.21 -0.77 -0.23 0.00 0.02 0.00 0.00 54.97 54.20 1wfm s GLU 34 Cb -0.15 -0.74 -0.08 0.00 0.10 0.00 0.00 34.13 33.25 1wfm s GLU 34 CO 0.10 -1.17 1.10 0.00 0.02 0.00 0.00 175.26 175.32 1wfm s ALA 35 N 1.56 2.99 -0.51 5.21 0.00 -1.11 -1.14 121.76 128.76 1wfm s ALA 35 Ca 0.16 0.80 0.04 0.00 0.00 0.00 0.00 51.96 52.96 1wfm s ALA 35 Cb -0.15 -3.32 0.16 0.00 0.00 0.00 0.00 23.12 19.80 1wfm s ALA 35 CO -0.08 -0.45 0.37 0.08 0.00 0.00 0.00 175.76 175.68 1wfm s VAL 36 N -1.65 1.32 0.04 0.00 1.01 0.52 -2.94 120.40 118.71 1wfm s VAL 36 Ca 0.62 -3.14 0.08 0.00 0.00 0.00 0.00 61.98 59.54 1wfm s VAL 36 Cb -0.24 -1.89 -0.03 0.00 0.00 0.00 0.00 36.38 34.22 1wfm s VAL 36 CO 0.30 -1.10 -0.23 0.42 0.00 0.00 0.00 175.10 174.49 1wfm s THR 37 N -0.36 1.84 0.36 3.92 -4.23 -1.26 -1.64 115.64 114.28 1wfm s THR 37 Ca 0.28 -1.27 0.08 0.00 -1.18 0.00 0.00 61.69 59.60 1wfm s THR 37 Cb -0.04 -1.59 -0.05 0.00 1.34 0.00 0.00 72.50 72.16 1wfm s THR 37 CO -0.15 0.26 0.09 -0.94 -0.54 0.00 0.00 174.62 173.33 1wfm s SER 38 N -1.21 4.34 -0.04 3.99 1.04 -1.26 -4.42 113.70 116.15 1wfm s SER 38 Ca 0.09 -0.99 -0.03 0.00 0.48 0.00 0.00 55.95 55.50 1wfm s SER 38 Cb -0.09 -0.55 0.01 0.00 0.10 0.00 0.00 66.02 65.49 1wfm s SER 38 CO 0.02 -0.35 0.06 -3.20 0.98 0.00 0.00 173.24 170.75 1wfm n ASN 39 N -1.07 -5.17 -3.68 7.02 2.85 -1.26 -5.07 115.26 108.88 1wfm n ASN 39 Ca -0.03 1.20 -0.09 0.00 -0.11 0.00 0.00 54.58 55.55 1wfm n ASN 39 Cb 0.63 -4.00 -0.10 0.00 1.24 0.00 0.00 39.78 37.55 1wfm n ASN 39 CO 0.00 0.00 0.00 -1.38 -2.11 0.00 0.00 177.26 173.77 1wfm s HIS 40 N -0.44 -0.71 -0.19 1.20 -3.43 -1.26 -5.13 115.29 105.33 1wfm s HIS 40 Ca -0.07 1.45 -0.29 0.00 -0.80 0.00 0.00 55.06 55.35 1wfm s HIS 40 Cb 0.00 0.32 0.00 0.00 -1.43 0.00 0.00 32.58 31.48 1wfm s HIS 40 CO 0.19 -0.41 1.01 0.16 -2.00 0.00 0.00 174.74 173.70 1wfm s ASP 41 N 1.80 7.13 0.93 7.38 1.47 -1.26 -4.86 116.67 129.26 1wfm s ASP 41 Ca -0.07 1.40 0.00 0.00 1.18 0.00 0.00 52.55 55.06 1wfm s ASP 41 Cb -0.09 -2.54 0.00 0.00 -0.34 0.00 0.00 42.92 39.95 1wfm s ASP 41 CO -0.14 -0.59 0.00 0.61 0.68 0.00 0.00 175.17 175.74 1wfm n GLY 42 N 3.28 2.77 2.87 2.12 0.00 -1.26 -4.41 105.19 110.56 1wfm n GLY 42 Ca 0.11 -0.21 -0.27 0.00 0.00 0.00 0.00 46.02 45.64 1wfm n GLY 42 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 1wfm s GLY 43 N -0.35 0.87 0.50 -0.02 0.00 -1.26 -4.96 107.32 102.09 1wfm s GLY 43 Ca 0.00 -0.69 0.05 0.00 0.00 0.00 0.00 44.72 44.08 1wfm s GLY 43 CO 0.00 0.95 0.26 0.00 0.00 0.00 0.00 173.10 174.31 1wfm s ASP 45 N -4.09 5.09 0.28 0.00 1.01 -1.26 -2.39 116.67 115.31 1wfm s ASP 45 Ca 0.31 -1.14 0.11 0.00 0.71 0.00 0.00 52.55 52.54 1wfm s ASP 45 Cb 0.00 -1.80 -0.05 0.00 1.01 0.00 0.00 42.92 42.08 1wfm s ASP 45 CO 0.18 -0.28 -0.11 0.00 0.21 0.00 0.00 175.17 175.17 1wfm s TYR 47 N -2.43 -0.46 -0.03 0.00 1.13 -1.15 -1.90 117.35 112.51 1wfm s TYR 47 Ca 0.31 0.44 -0.18 0.00 -1.41 0.00 0.00 57.07 56.23 1wfm s TYR 47 Cb -0.05 0.41 -0.05 0.00 -1.10 0.00 0.00 41.96 41.16 1wfm s TYR 47 CO 0.17 -0.71 0.50 0.08 -2.51 0.00 0.00 175.55 173.08 1wfm s VAL 48 N -2.85 5.00 -0.10 -3.49 1.01 -1.26 -3.23 120.40 115.49 1wfm s VAL 48 Ca -0.03 1.03 0.04 0.00 0.00 0.00 0.00 61.98 63.01 1wfm s VAL 48 Cb -0.00 -3.83 0.00 0.00 0.00 0.00 0.00 36.38 32.55 1wfm s VAL 48 CO -0.05 0.46 -0.22 -1.58 0.00 0.00 0.00 175.10 173.71 1wfm s GLN 49 N -0.33 2.83 -0.22 2.72 0.74 0.26 -2.52 119.66 123.13 1wfm s GLN 49 Ca 0.27 -0.80 0.01 0.00 0.05 0.00 0.00 55.36 54.89 1wfm s GLN 49 Cb -0.17 -2.16 0.05 0.00 1.10 0.00 0.00 33.01 31.83 1wfm s GLN 49 CO 0.14 0.14 -0.09 0.20 -0.55 0.00 0.00 175.29 175.13 1wfm s GLY 50 N 0.43 1.35 0.03 2.59 0.00 0.11 0.19 107.32 112.02 1wfm s GLY 50 Ca -0.17 -1.37 0.06 0.00 0.00 0.00 0.00 44.72 43.23 1wfm s GLY 50 CO 0.07 0.76 -0.13 -0.45 0.00 0.00 0.00 173.10 173.36 1wfm s SER 51 N 1.34 4.16 0.26 1.64 0.15 0.12 -1.51 113.70 119.86 1wfm s SER 51 Ca -0.04 -0.31 0.08 0.00 0.70 0.00 0.00 55.95 56.38 1wfm s SER 51 Cb -0.18 -0.81 -0.05 0.00 -1.71 0.00 0.00 66.02 63.27 1wfm s SER 51 CO -0.07 0.26 -0.12 -0.69 1.20 0.00 0.00 173.24 173.82 1wfm s VAL 52 N -0.97 1.92 -0.15 4.45 1.01 -0.23 0.38 120.40 126.82 1wfm s VAL 52 Ca 0.16 -2.22 -0.04 0.00 0.00 0.00 0.00 61.98 59.88 1wfm s VAL 52 Cb -0.11 -2.31 0.05 0.00 0.00 0.00 0.00 36.38 34.01 1wfm s VAL 52 CO 0.07 -0.40 0.08 0.00 0.00 0.00 0.00 175.10 174.84 1wfm s ALA 53 N -2.84 0.47 0.41 5.51 0.00 -0.97 -1.03 121.76 123.31 1wfm s ALA 53 Ca 0.28 -0.26 0.07 0.00 0.00 0.00 0.00 51.96 52.05 1wfm s ALA 53 Cb 0.00 -0.97 -0.06 0.00 0.00 0.00 0.00 23.12 22.09 1wfm s ALA 53 CO 0.11 -1.04 0.16 0.54 0.00 0.00 0.00 175.76 175.54 1wfm s ASN 54 N 2.11 4.36 0.33 0.00 2.20 0.17 -2.94 114.94 121.17 1wfm s ASN 54 Ca 0.02 -1.11 0.24 0.00 -0.94 0.00 0.00 52.86 51.07 1wfm s ASN 54 Cb -0.15 -0.47 1.18 0.00 -2.00 0.00 0.00 41.25 39.81 1wfm s ASN 54 CO -0.08 -0.53 1.72 0.03 -2.94 0.00 0.00 177.10 175.30 1wfm h ARG 55 N 1.47 0.00 0.00 3.55 3.08 -1.92 0.10 114.38 120.65 1wfm h ARG 55 Ca -0.43 0.00 -0.16 0.00 0.07 0.00 0.00 59.98 59.46 1wfm h ARG 55 Cb 1.25 0.00 -0.03 0.00 0.08 0.00 0.00 29.97 31.27 1wfm h ARG 55 CO 0.71 0.00 -1.17 1.79 -1.07 0.00 0.00 179.97 180.23 1wfm h THR 56 N 0.00 0.70 0.00 2.04 1.35 -1.94 -3.50 112.91 111.56 1wfm h THR 56 Ca 0.00 -2.20 0.00 0.00 -0.55 0.00 0.00 66.41 63.66 1wfm h THR 56 Cb 0.13 2.21 0.00 0.00 -1.73 0.00 0.00 68.15 68.76 1wfm h THR 56 CO 0.00 0.40 0.00 0.61 -0.25 0.00 0.00 175.52 176.28 1wfm n GLY 57 N 1.36 -0.58 3.41 5.82 0.00 0.02 -5.15 105.19 110.07 1wfm n GLY 57 Ca -0.06 0.16 -0.12 0.00 0.00 0.00 0.00 46.02 45.99 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 -0.53 0.24 1.61 1.04 -1.26 -0.65 113.70 110.14 1wfm s SER 58 Ca 0.00 -0.00 0.01 0.00 0.48 0.00 0.00 55.95 56.44 1wfm s SER 58 Cb 0.00 0.58 -0.05 0.00 0.10 0.00 0.00 66.02 66.65 1wfm s SER 58 CO 0.00 -0.94 0.10 0.68 0.98 0.00 0.00 173.24 174.06 1wfm s VAL 59 N -3.62 0.41 0.08 5.02 -7.23 -0.19 -4.96 120.40 109.91 1wfm s VAL 59 Ca 0.01 -2.00 -0.17 0.00 -1.81 0.00 0.00 61.98 58.01 1wfm s VAL 59 Cb -0.01 -2.57 0.03 0.00 0.56 0.00 0.00 36.38 34.39 1wfm s VAL 59 CO -0.12 -0.03 0.39 -1.61 -0.31 0.00 0.00 175.10 173.43 1wfm s GLU 60 N -4.06 0.97 -0.22 4.82 2.02 -1.26 -1.07 118.70 119.90 1wfm s GLU 60 Ca 0.37 -0.54 -0.28 0.00 0.02 0.00 0.00 54.97 54.55 1wfm s GLU 60 Cb 0.08 0.43 0.14 0.00 0.10 0.00 0.00 34.13 34.87 1wfm s GLU 60 CO 0.13 -0.35 1.10 0.00 0.02 0.00 0.00 175.26 176.16 1wfm s ALA 61 N -3.07 -2.00 0.27 5.21 0.00 -0.57 -4.93 121.76 116.67 1wfm s ALA 61 Ca -0.02 1.72 0.03 0.00 0.00 0.00 0.00 51.96 53.69 1wfm s ALA 61 Cb 0.01 -1.13 -0.04 0.00 0.00 0.00 0.00 23.12 21.96 1wfm s ALA 61 CO -0.07 -0.26 0.19 -0.65 0.00 0.00 0.00 175.76 174.97 1wfm s GLN 62 N -0.62 1.47 0.57 0.00 -0.21 -1.26 0.08 119.66 119.70 1wfm s GLN 62 Ca 0.02 -1.82 0.07 0.00 0.02 0.00 0.00 55.36 53.64 1wfm s GLN 62 Cb -0.02 0.22 0.07 0.00 1.00 0.00 0.00 33.01 34.28 1wfm s GLN 62 CO -0.04 -0.49 0.55 0.25 -2.12 0.00 0.00 175.29 173.44 1wfm n THR 63 N -0.45 0.00 -2.47 -0.19 -2.24 -1.05 -4.85 114.28 103.03 1wfm n THR 63 Ca 0.04 -2.15 -0.41 0.00 -2.27 0.00 0.00 64.05 59.26 1wfm n THR 63 Cb 0.64 -0.17 -0.04 0.00 -2.10 0.00 0.00 70.33 68.66 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 -2.78 3.39 0.53 6.98 0.00 -1.26 -4.75 121.76 123.87 1wfm s ALA 64 Ca 0.42 0.86 -0.20 0.00 0.00 0.00 0.00 51.96 53.04 1wfm s ALA 64 Cb -0.03 -3.37 -0.09 0.00 0.00 0.00 0.00 23.12 19.63 1wfm s ALA 64 CO 0.27 -0.26 0.71 1.28 0.00 0.00 0.00 175.76 177.75 1wfm n LEU 65 N 2.35 1.59 -3.88 0.00 7.99 -1.26 -4.89 117.00 118.90 1wfm n LEU 65 Ca 0.03 0.83 -0.13 0.00 -0.01 0.00 0.00 56.01 56.73 1wfm n LEU 65 Cb 0.46 -1.24 -0.14 0.00 -0.11 0.00 0.00 43.42 42.38 1wfm n LEU 65 CO 0.54 -2.50 -0.37 -0.54 -1.51 0.00 0.00 177.39 173.02 1wfm s LYS 66 N -2.13 0.08 -0.04 3.23 -0.14 -0.80 -4.98 119.74 114.95 1wfm s LYS 66 Ca 0.68 -0.02 -0.29 0.00 -1.36 0.00 0.00 55.97 54.98 1wfm s LYS 66 Cb -0.48 -0.09 -0.08 0.00 -1.68 0.00 0.00 37.83 35.50 1wfm s LYS 66 CO 0.54 0.01 2.04 0.21 -0.76 0.00 0.00 175.35 177.38 1wfm s LYS 67 N 0.05 3.85 -0.03 1.68 2.20 -1.26 -3.16 119.74 123.07 1wfm s LYS 67 Ca -0.00 2.44 -0.37 0.00 -0.36 0.00 0.00 55.97 57.68 1wfm s LYS 67 Cb -0.01 -4.22 -0.18 0.00 -1.51 0.00 0.00 37.83 31.90 1wfm s LYS 67 CO -0.00 -1.28 1.01 -2.13 -0.36 0.00 0.00 175.35 172.58 1wfm n ARG 68 N 7.89 0.00 -4.02 4.03 3.00 -1.01 -4.91 116.66 121.64 1wfm n ARG 68 Ca 0.23 0.00 -0.10 0.00 -0.00 0.00 0.00 57.85 57.98 1wfm n ARG 68 Cb 0.42 -1.37 -0.08 0.00 0.00 0.00 0.00 32.46 31.44 1wfm n ARG 68 CO 0.00 0.00 0.00 -0.65 0.00 0.00 0.00 177.63 176.98 1wfm s GLN 69 N 0.18 1.11 0.57 -0.14 -1.52 -1.26 -4.88 119.66 113.72 1wfm s GLN 69 Ca 0.84 -1.27 0.33 0.00 -1.95 0.00 0.00 55.36 53.31 1wfm s GLN 69 Cb -1.17 0.34 1.71 0.00 -0.22 0.00 0.00 33.01 33.67 1wfm s GLN 69 CO 0.53 -0.39 2.15 1.25 -0.25 0.00 0.00 175.29 178.59 1wfm h LEU 70 N 2.62 0.00 -5.21 2.90 7.12 -1.92 -3.34 115.31 117.48 1wfm h LEU 70 Ca -0.33 0.00 -0.24 0.00 0.13 0.00 0.00 57.88 57.45 1wfm h LEU 70 Cb 1.22 0.00 -0.19 0.00 -0.53 0.00 0.00 40.66 41.16 1wfm h LEU 70 CO 0.51 0.06 -0.58 1.57 -0.13 0.00 0.00 178.44 179.87 1wfm n HIS 71 N -3.43 -3.25 -2.01 1.25 -0.00 -1.26 -4.00 115.22 102.52 1wfm n HIS 71 Ca -0.02 -1.77 -0.33 0.00 0.46 0.00 0.00 57.72 56.06 1wfm n HIS 71 Cb 0.19 1.28 0.02 0.00 -0.12 0.00 0.00 29.99 31.37 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 0.65 3.43 -0.05 3.57 2.01 -1.15 -4.91 115.64 119.19 1wfm s THR 72 Ca 0.31 0.73 -0.08 0.00 0.31 0.00 0.00 61.69 62.96 1wfm s THR 72 Cb 0.06 -3.25 0.02 0.00 0.01 0.00 0.00 72.50 69.33 1wfm s THR 72 CO -0.11 -0.35 0.21 0.42 -0.69 0.00 0.00 174.62 174.10 1wfm s THR 73 N -2.22 0.03 0.14 -0.82 -4.23 -1.26 -2.76 115.64 104.52 1wfm s THR 73 Ca 0.67 -0.27 0.08 0.00 -1.18 0.00 0.00 61.69 61.00 1wfm s THR 73 Cb -0.20 -0.39 -0.04 0.00 1.34 0.00 0.00 72.50 73.22 1wfm s THR 73 CO 0.35 -0.15 -0.09 0.26 -0.54 0.00 0.00 174.62 174.45 1wfm s TRP 74 N -0.51 2.69 -0.33 3.99 0.51 -1.03 -5.02 118.94 119.25 1wfm s TRP 74 Ca -0.06 -0.19 0.10 0.00 -2.12 0.00 0.00 56.10 53.83 1wfm s TRP 74 Cb -0.04 -1.36 0.75 0.00 -0.81 0.00 0.00 33.47 32.00 1wfm s TRP 74 CO 0.01 0.47 1.80 -1.91 -0.51 0.00 0.00 176.95 176.80 1wfm n GLU 75 N 0.37 3.78 -2.95 4.98 2.13 -1.26 -4.60 120.64 123.09 1wfm n GLU 75 Ca -0.12 -3.03 -0.08 0.00 0.66 0.00 0.00 57.16 54.59 1wfm n GLU 75 Cb 0.54 -2.22 -0.01 0.00 0.27 0.00 0.00 31.44 30.02 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 -0.08 0.50 -4.00 5.31 0.28 -1.26 -5.12 120.64 116.27 1wfm n GLU 76 Ca 0.40 -1.62 -0.09 0.00 -0.16 0.00 0.00 57.16 55.68 1wfm n GLU 76 Cb 1.37 1.66 -0.08 0.00 1.43 0.00 0.00 31.44 35.83 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 -2.31 0.57 0.84 -1.84 0.00 -1.26 -4.36 107.32 98.94 1wfm s GLY 77 Ca 0.16 -1.00 -0.12 0.00 0.00 0.00 0.00 44.72 43.75 1wfm s GLY 77 CO 0.11 -0.96 1.16 1.08 0.00 0.00 0.00 173.10 174.49 1wfm s LEU 78 N -2.98 2.37 -0.25 0.66 1.43 -1.15 -4.82 118.68 113.93 1wfm s LEU 78 Ca 0.18 0.87 -0.02 0.00 -1.03 0.00 0.00 54.13 54.13 1wfm s LEU 78 Cb 0.04 -3.33 0.14 0.00 0.03 0.00 0.00 46.19 43.08 1wfm s LEU 78 CO -0.01 -2.08 0.41 -0.69 0.23 0.00 0.00 176.35 174.21 1wfm s VAL 79 N -3.46 -0.66 -0.14 -1.59 1.01 -1.25 -2.46 120.40 111.85 1wfm s VAL 79 Ca 0.62 -0.08 -0.01 0.00 0.00 0.00 0.00 61.98 62.51 1wfm s VAL 79 Cb -0.12 -0.85 -0.02 0.00 0.00 0.00 0.00 36.38 35.39 1wfm s VAL 79 CO 0.51 -0.12 -0.11 -0.76 0.00 0.00 0.00 175.10 174.62 1wfm s LEU 80 N 2.59 2.85 -0.10 3.92 2.01 0.31 -4.81 118.68 125.44 1wfm s LEU 80 Ca 0.13 -0.28 -0.30 0.00 0.01 0.00 0.00 54.13 53.70 1wfm s LEU 80 Cb -0.15 -1.66 -0.03 0.00 0.01 0.00 0.00 46.19 44.37 1wfm s LEU 80 CO -0.18 0.16 1.24 -2.16 1.01 0.00 0.00 176.35 176.43 1wfm s PRO 81 N 0.39 4.29 -0.01 1.29 0.04 -1.26 0.28 135.00 140.02 1wfm s PRO 81 Ca -0.09 1.69 -0.16 0.00 0.04 0.00 0.00 61.00 62.47 1wfm s PRO 81 Cb -0.15 -3.66 0.03 0.00 0.04 0.00 0.00 34.50 30.76 1wfm s PRO 81 CO 0.05 -0.58 0.35 -1.17 0.04 0.00 0.00 177.00 175.69 1wfm s LEU 82 N 2.83 0.69 -0.06 -3.56 2.96 -0.47 -4.88 118.68 116.19 1wfm s LEU 82 Ca 0.56 0.13 -0.14 0.00 -0.22 0.00 0.00 54.13 54.46 1wfm s LEU 82 Cb -0.24 1.41 -0.05 0.00 0.50 0.00 0.00 46.19 47.82 1wfm s LEU 82 CO 0.19 -0.48 0.36 0.00 -1.32 0.00 0.00 176.35 175.10 1wfm s ALA 83 N -1.42 3.68 0.66 5.97 0.00 -1.26 -3.87 121.76 125.52 1wfm s ALA 83 Ca -0.13 -0.32 0.32 0.00 0.00 0.00 0.00 51.96 51.84 1wfm s ALA 83 Cb -0.04 -2.36 1.76 0.00 0.00 0.00 0.00 23.12 22.48 1wfm s ALA 83 CO 0.04 0.37 2.00 1.49 0.00 0.00 0.00 175.76 179.66 1wfm h GLU 84 N 5.34 0.00 -0.00 0.00 4.81 -1.94 1.54 114.58 124.33 1wfm h GLU 84 Ca -0.49 0.00 0.00 0.00 -0.13 0.00 0.00 59.36 58.74 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 0.65 0.00 -0.21 -0.85 -0.73 0.00 0.00 179.01 177.87 1wfm n GLU 85 N -2.95 0.02 0.00 1.92 0.28 -1.26 -3.28 120.64 115.37 1wfm n GLU 85 Ca -0.02 -0.01 0.04 0.00 -0.16 0.00 0.00 57.16 57.01 1wfm n GLU 85 Cb 0.34 -1.50 -0.01 0.00 1.43 0.00 0.00 31.44 31.70 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 -1.48 2.45 -0.30 3.44 1.02 0.51 -4.60 120.64 121.68 1wfm n GLU 86 Ca 0.07 -0.48 0.02 0.00 -0.02 0.00 0.00 57.16 56.74 1wfm n GLU 86 Cb 0.34 -1.02 0.09 0.00 -0.02 0.00 0.00 31.44 30.83 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 0.83 -0.93 -0.61 -4.62 3.38 -1.11 1.30 115.31 113.54 1wfm h LEU 87 Ca 0.00 0.26 -0.09 0.00 0.09 0.00 0.00 57.88 58.14 1wfm h LEU 87 Cb 0.28 0.57 -0.01 0.00 0.09 0.00 0.00 40.66 41.58 1wfm h LEU 87 CO 0.00 -0.29 -0.44 1.55 0.09 0.00 0.00 178.44 179.36 1wfm h PRO 88 N -0.02 0.00 -0.89 1.13 0.13 -1.82 -2.98 132.00 127.55 1wfm h PRO 88 Ca 0.38 0.00 -0.35 0.00 -0.87 0.00 0.00 66.00 65.16 1wfm h PRO 88 Cb 0.61 0.00 -0.21 0.00 0.13 0.00 0.00 31.00 31.53 1wfm h PRO 88 CO -0.87 0.44 0.45 0.25 -0.23 0.00 0.00 178.00 178.03 1wfm n THR 89 N -3.42 2.94 -3.92 1.56 -2.24 0.36 -4.90 114.28 104.65 1wfm n THR 89 Ca 0.00 -1.66 -0.10 0.00 -2.27 0.00 0.00 64.05 60.02 1wfm n THR 89 Cb 0.60 -0.45 -0.10 0.00 -2.10 0.00 0.00 70.33 68.28 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 -2.96 -0.11 -0.01 6.98 0.00 0.35 -4.06 121.76 121.94 1wfm s ALA 90 Ca 0.53 -0.40 -0.00 0.00 0.00 0.00 0.00 51.96 52.08 1wfm s ALA 90 Cb 0.43 0.16 0.02 0.00 0.00 0.00 0.00 23.12 23.73 1wfm s ALA 90 CO 0.12 -0.22 0.03 0.99 0.00 0.00 0.00 175.76 176.67 1wfm s THR 91 N -1.77 -0.03 -0.11 0.00 2.01 -1.15 -4.20 115.64 110.39 1wfm s THR 91 Ca -0.12 0.11 -0.07 0.00 0.31 0.00 0.00 61.69 61.92 1wfm s THR 91 Cb -0.06 -0.06 -0.04 0.00 0.01 0.00 0.00 72.50 72.35 1wfm s THR 91 CO -0.01 0.05 0.15 -0.22 -0.69 0.00 0.00 174.62 173.90 1wfm s LEU 92 N 0.56 4.39 -0.07 4.42 1.98 -1.14 -2.28 118.68 126.54 1wfm s LEU 92 Ca -0.05 0.48 0.01 0.00 -2.89 0.00 0.00 54.13 51.69 1wfm s LEU 92 Cb -0.07 -2.13 0.02 0.00 0.66 0.00 0.00 46.19 44.68 1wfm s LEU 92 CO -0.02 0.40 -0.09 -0.89 -1.89 0.00 0.00 176.35 173.86 1wfm s THR 93 N -1.05 0.93 -0.14 3.68 2.01 0.16 0.81 115.64 122.04 1wfm s THR 93 Ca 0.16 -0.32 -0.14 0.00 0.31 0.00 0.00 61.69 61.70 1wfm s THR 93 Cb -0.12 -0.91 -0.05 0.00 0.01 0.00 0.00 72.50 71.43 1wfm s THR 93 CO 0.05 0.32 0.32 -0.76 -0.69 0.00 0.00 174.62 173.87 1wfm s LEU 94 N 1.05 4.28 -0.05 4.42 1.02 0.61 -0.71 118.68 129.31 1wfm s LEU 94 Ca -0.08 0.59 0.02 0.00 0.02 0.00 0.00 54.13 54.69 1wfm s LEU 94 Cb -0.14 -2.42 0.01 0.00 0.02 0.00 0.00 46.19 43.66 1wfm s LEU 94 CO -0.01 0.13 -0.11 -0.89 0.02 0.00 0.00 176.35 175.50 1wfm s THR 95 N 0.23 0.98 -0.50 5.49 2.01 0.50 0.15 115.64 124.50 1wfm s THR 95 Ca 0.18 -0.41 -0.08 0.00 0.31 0.00 0.00 61.69 61.70 1wfm s THR 95 Cb -0.14 -0.90 0.13 0.00 0.01 0.00 0.00 72.50 71.60 1wfm s THR 95 CO 0.06 0.31 0.36 -0.22 -0.69 0.00 0.00 174.62 174.44 1wfm s LEU 96 N 0.55 5.63 0.01 4.42 2.96 -0.17 0.92 118.68 133.01 1wfm s LEU 96 Ca -0.11 -2.10 -0.05 0.00 -0.22 0.00 0.00 54.13 51.65 1wfm s LEU 96 Cb -0.14 -1.97 -0.05 0.00 0.50 0.00 0.00 46.19 44.54 1wfm s LEU 96 CO 0.02 -0.62 0.25 -0.13 -1.32 0.00 0.00 176.35 174.55 1wfm s ARG 97 N 1.07 3.54 -0.23 1.98 0.52 -1.20 0.21 118.95 124.85 1wfm s ARG 97 Ca 0.08 -0.15 -0.09 0.00 -0.52 0.00 0.00 55.73 55.05 1wfm s ARG 97 Cb -0.24 -3.07 -0.04 0.00 0.52 0.00 0.00 34.95 32.12 1wfm s ARG 97 CO -0.02 0.65 0.11 0.95 0.02 0.00 0.00 175.30 177.00 1wfm s THR 98 N -1.33 4.91 -0.68 0.02 -4.23 -1.26 -2.94 115.64 110.13 1wfm s THR 98 Ca 0.28 0.02 -0.26 0.00 -1.18 0.00 0.00 61.69 60.56 1wfm s THR 98 Cb -0.13 -3.27 -0.04 0.00 1.34 0.00 0.00 72.50 70.40 1wfm s THR 98 CO 0.17 0.37 1.98 0.00 -0.54 0.00 0.00 174.62 176.61 1wfm s ASP 100 N 8.75 3.59 0.19 0.00 1.01 -1.26 -4.17 116.67 124.77 1wfm s ASP 100 Ca 0.73 -1.57 -0.19 0.00 0.71 0.00 0.00 52.55 52.23 1wfm s ASP 100 Cb -0.12 0.25 0.14 0.00 1.01 0.00 0.00 42.92 44.20 1wfm s ASP 100 CO 0.15 -0.75 1.60 -0.09 0.21 0.00 0.00 175.17 176.28 1wfm h ARG 101 N 1.62 -0.14 0.00 8.23 2.43 -2.03 -3.31 114.38 121.19 1wfm h ARG 101 Ca -0.42 0.01 -0.16 0.00 -0.81 0.00 0.00 59.98 58.60 1wfm h ARG 101 Cb 1.28 0.03 -0.03 0.00 -0.42 0.00 0.00 29.97 30.83 1wfm h ARG 101 CO 0.71 -0.09 -1.60 1.19 -1.51 0.00 0.00 179.97 178.68 1wfm n PHE 102 N -5.43 0.00 -3.03 2.20 3.72 -1.26 -5.04 117.46 108.62 1wfm n PHE 102 Ca 0.04 0.00 -0.12 0.00 -0.05 0.00 0.00 57.45 57.32 1wfm n PHE 102 Cb 0.35 -0.40 0.05 0.00 -0.94 0.00 0.00 39.48 38.53 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 -2.84 -3.75 -3.30 4.37 7.64 -1.25 -5.03 113.62 109.48 1wfm n SER 103 Ca -0.19 -0.32 -0.20 0.00 1.01 0.00 0.00 58.87 59.17 1wfm n SER 103 Cb 0.70 -3.10 0.14 0.00 -1.01 0.00 0.00 64.21 60.94 1wfm n SER 103 CO 0.00 0.00 0.00 -2.11 -3.01 0.00 0.00 175.04 169.92 1wfm n ARG 104 N -2.98 -0.95 -0.81 1.43 1.85 -1.26 -4.94 116.66 108.99 1wfm n ARG 104 Ca -0.05 -1.40 0.11 0.00 -1.00 0.00 0.00 57.85 55.51 1wfm n ARG 104 Cb 0.55 -0.95 -0.03 0.00 -1.05 0.00 0.00 32.46 30.99 1wfm n ARG 104 CO 0.00 0.00 0.00 0.72 -0.01 0.00 0.00 177.63 178.34 1wfm n HIS 105 N -3.29 -2.03 -0.80 2.89 8.25 -1.26 -4.88 115.22 114.09 1wfm n HIS 105 Ca 0.11 1.01 -0.30 0.00 -0.26 0.00 0.00 57.72 58.28 1wfm n HIS 105 Cb 0.40 -1.84 0.27 0.00 1.12 0.00 0.00 29.99 29.93 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 -2.85 -2.75 -4.65 0.41 7.64 -1.26 -5.03 113.62 105.13 1wfm n SER 106 Ca 0.00 -1.09 -0.29 0.00 1.01 0.00 0.00 58.87 58.50 1wfm n SER 106 Cb 0.37 -1.01 0.13 0.00 -1.01 0.00 0.00 64.21 62.69 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 -2.73 1.98 -0.49 0.44 -7.23 -1.26 -4.94 120.40 106.17 1wfm s VAL 107 Ca 0.70 0.00 0.26 0.00 -1.81 0.00 0.00 61.98 61.13 1wfm s VAL 107 Cb -0.09 -2.92 0.29 0.00 0.56 0.00 0.00 36.38 34.22 1wfm s VAL 107 CO 0.55 0.00 1.76 0.00 -0.31 0.00 0.00 175.10 177.10 1wfm h ALA 108 N -1.36 1.00 -1.05 1.32 0.00 0.21 -3.40 119.26 115.98 1wfm h ALA 108 Ca -0.47 0.00 0.21 0.00 0.00 0.00 0.00 54.91 54.65 1wfm h ALA 108 Cb 1.31 0.00 -0.33 0.00 0.00 0.00 0.00 17.79 18.77 1wfm h ALA 108 CO 0.57 0.00 0.75 0.20 0.00 0.00 0.00 179.25 180.77 1wfm s GLY 109 N -3.69 0.64 -0.13 0.00 0.00 -1.22 -4.66 107.32 98.26 1wfm s GLY 109 Ca 0.06 3.86 -0.01 0.00 0.00 0.00 0.00 44.72 48.62 1wfm s GLY 109 CO 0.51 2.78 -0.09 -0.54 0.00 0.00 0.00 173.10 175.76 1wfm s GLU 110 N 1.05 3.43 0.08 2.90 2.02 -1.24 -1.00 118.70 125.94 1wfm s GLU 110 Ca -0.08 -0.61 0.06 0.00 0.02 0.00 0.00 54.97 54.36 1wfm s GLU 110 Cb -0.02 -2.73 -0.03 0.00 0.10 0.00 0.00 34.13 31.44 1wfm s GLU 110 CO -0.10 0.27 -0.16 -1.17 0.02 0.00 0.00 175.26 174.13 1wfm s LEU 111 N 0.23 2.28 -0.04 1.80 0.20 0.40 0.18 118.68 123.73 1wfm s LEU 111 Ca -0.06 -0.63 0.03 0.00 0.69 0.00 0.00 54.13 54.16 1wfm s LEU 111 Cb -0.15 -0.61 0.01 0.00 -0.43 0.00 0.00 46.19 45.01 1wfm s LEU 111 CO 0.04 -0.04 -0.11 -0.60 -0.29 0.00 0.00 176.35 175.35 1wfm s ARG 112 N -1.75 1.26 0.42 1.98 3.52 -1.26 0.23 118.95 123.34 1wfm s ARG 112 Ca 0.00 -0.37 0.04 0.00 -0.13 0.00 0.00 55.73 55.27 1wfm s ARG 112 Cb -0.10 -1.12 -0.04 0.00 -1.56 0.00 0.00 34.95 32.13 1wfm s ARG 112 CO 0.03 0.11 0.05 -0.51 -0.81 0.00 0.00 175.30 174.16 1wfm s LEU 113 N 0.31 2.31 -0.06 -0.88 2.01 0.24 -4.96 118.68 117.64 1wfm s LEU 113 Ca -0.06 -1.54 0.02 0.00 0.01 0.00 0.00 54.13 52.55 1wfm s LEU 113 Cb -0.11 -0.52 0.02 0.00 0.01 0.00 0.00 46.19 45.58 1wfm s LEU 113 CO 0.01 -0.74 -0.09 -0.83 1.01 0.00 0.00 176.35 175.72 1wfm s GLY 114 N -3.69 0.64 0.00 -3.19 0.00 -1.26 -2.86 107.32 96.96 1wfm s GLY 114 Ca 0.23 -0.26 0.17 0.00 0.00 0.00 0.00 44.72 44.86 1wfm s GLY 114 CO 0.12 0.28 1.42 1.04 0.00 0.00 0.00 173.10 175.96 1wfm n LEU 115 N 3.95 1.84 -0.00 0.66 7.99 -1.26 -3.37 117.00 126.80 1wfm n LEU 115 Ca -0.23 -0.84 0.11 0.00 -0.01 0.00 0.00 56.01 55.04 1wfm n LEU 115 Cb 0.51 -0.17 0.13 0.00 -0.11 0.00 0.00 43.42 43.78 1wfm n LEU 115 CO 0.24 0.42 0.29 -0.67 -1.51 0.00 0.00 177.39 176.16 1wfm n ASP 116 N 0.46 0.68 -1.68 -1.43 2.03 -1.24 -4.55 116.55 110.82 1wfm n ASP 116 Ca 0.14 -0.51 -0.01 0.00 0.52 0.00 0.00 54.79 54.94 1wfm n ASP 116 Cb 0.33 0.50 0.00 0.00 -0.72 0.00 0.00 41.12 41.23 1wfm n ASP 116 CO 0.00 0.00 0.00 0.61 -1.92 0.00 0.00 177.20 175.89 1wfm n GLY 117 N 1.50 -1.40 0.00 0.27 0.00 -1.22 -4.97 105.19 99.37 1wfm n GLY 117 Ca 0.05 0.01 0.00 0.00 0.00 0.00 0.00 46.02 46.08 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 -0.32 0.00 0.01 2.61 -1.04 -1.26 -4.93 114.28 109.35 1wfm n THR 118 Ca 0.01 0.00 0.07 0.00 -2.04 0.00 0.00 64.05 62.09 1wfm n THR 118 Cb 0.05 0.00 0.48 0.00 -1.82 0.00 0.00 70.33 69.04 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 0.37 -3.30 8.00 0.02 -1.97 -3.40 113.55 113.26 1wfm h SER 119 Ca 0.00 -0.00 -0.26 0.00 -0.84 0.00 0.00 61.79 60.69 1wfm h SER 119 Cb 0.00 -0.08 -0.33 0.00 0.14 0.00 0.00 62.40 62.13 1wfm h SER 119 CO 0.00 0.25 -0.60 0.54 -1.14 0.00 0.00 176.83 175.88 1wfm s VAL 120 N -5.40 -0.13 0.93 2.27 0.11 -1.26 -4.99 120.40 111.94 1wfm s VAL 120 Ca -0.08 0.24 -0.13 0.00 -2.93 0.00 0.00 61.98 59.08 1wfm s VAL 120 Cb 0.18 -0.27 0.15 0.00 -1.53 0.00 0.00 36.38 34.91 1wfm s VAL 120 CO 0.73 0.10 1.15 -2.16 -3.33 0.00 0.00 175.10 171.58 1wfm s PRO 121 N 1.56 0.96 0.19 1.54 0.04 -1.26 -4.39 135.00 133.64 1wfm s PRO 121 Ca -0.05 0.22 0.04 0.00 0.04 0.00 0.00 61.00 61.26 1wfm s PRO 121 Cb -0.12 -1.82 -0.04 0.00 0.04 0.00 0.00 34.50 32.56 1wfm s PRO 121 CO -0.06 -2.31 0.24 -0.51 0.04 0.00 0.00 177.00 174.40 1wfm s LEU 122 N -6.08 4.09 -1.23 -3.56 1.43 -1.26 -4.30 118.68 107.76 1wfm s LEU 122 Ca 0.65 -0.01 0.00 0.00 -1.03 0.00 0.00 54.13 53.74 1wfm s LEU 122 Cb -0.14 -2.66 0.00 0.00 0.03 0.00 0.00 46.19 43.42 1wfm s LEU 122 CO 0.53 0.02 0.00 0.61 0.23 0.00 0.00 176.35 177.74 1wfm n GLY 123 N -0.77 1.11 3.46 -3.19 0.00 0.58 -4.93 105.19 101.45 1wfm n GLY 123 Ca -0.08 0.00 -0.26 0.00 0.00 0.00 0.00 46.02 45.68 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 -1.94 2.66 -0.28 4.61 0.00 -1.25 -5.01 121.76 120.55 1wfm s ALA 124 Ca 0.00 -1.69 0.01 0.00 0.00 0.00 0.00 51.96 50.28 1wfm s ALA 124 Cb 0.00 -0.37 0.06 0.00 0.00 0.00 0.00 23.12 22.81 1wfm s ALA 124 CO 0.00 0.39 -0.05 0.00 0.00 0.00 0.00 175.76 176.10 1wfm s ALA 125 N -1.93 2.70 0.01 0.00 0.00 -1.26 -3.57 121.76 117.71 1wfm s ALA 125 Ca 0.24 -1.78 0.07 0.00 0.00 0.00 0.00 51.96 50.48 1wfm s ALA 125 Cb -0.07 -1.77 -0.02 0.00 0.00 0.00 0.00 23.12 21.26 1wfm s ALA 125 CO 0.12 -1.25 -0.20 1.14 0.00 0.00 0.00 175.76 175.57 1wfm s GLN 126 N 1.17 1.49 -0.52 0.00 0.00 -1.22 -5.02 119.66 115.56 1wfm s GLN 126 Ca -0.07 -0.82 -0.24 0.00 -0.00 0.00 0.00 55.36 54.23 1wfm s GLN 126 Cb -0.20 -1.52 0.04 0.00 0.00 0.00 0.00 33.01 31.33 1wfm s GLN 126 CO -0.03 0.40 0.93 -1.58 0.00 0.00 0.00 175.29 175.01 1wfm s TRP 127 N -0.63 2.84 -0.16 9.60 0.52 -1.26 -3.72 118.94 126.13 1wfm s TRP 127 Ca 0.07 0.11 -0.06 0.00 0.02 0.00 0.00 56.10 56.25 1wfm s TRP 127 Cb -0.08 -4.02 -0.04 0.00 -1.15 0.00 0.00 33.47 28.19 1wfm s TRP 127 CO 0.00 -1.25 0.02 0.20 0.02 0.00 0.00 176.95 175.94 1wfm s GLY 128 N 2.62 1.84 0.42 0.98 0.00 -1.21 -4.97 107.32 106.99 1wfm s GLY 128 Ca 0.32 -0.77 -0.24 0.00 0.00 0.00 0.00 44.72 44.03 1wfm s GLY 128 CO 0.22 -0.04 1.12 1.85 0.00 0.00 0.00 173.10 176.24 1wfm s GLU 129 N 0.26 4.02 0.09 2.90 2.12 -1.26 -1.73 118.70 125.10 1wfm s GLU 129 Ca 0.01 1.68 -0.29 0.00 0.36 0.00 0.00 54.97 56.73 1wfm s GLU 129 Cb -0.13 -2.55 -0.06 0.00 0.26 0.00 0.00 34.13 31.66 1wfm s GLU 129 CO 0.01 -0.30 0.91 -0.51 -0.54 0.00 0.00 175.26 174.83 1wfm s LEU 130 N -2.70 4.48 -1.18 2.70 1.43 0.35 -4.84 118.68 118.93 1wfm s LEU 130 Ca 0.59 1.70 -0.04 0.00 -1.03 0.00 0.00 54.13 55.35 1wfm s LEU 130 Cb -0.26 -3.49 0.22 0.00 0.03 0.00 0.00 46.19 42.68 1wfm s LEU 130 CO 0.33 -0.05 2.07 0.29 0.23 0.00 0.00 176.35 179.22 1wfm n LYS 131 N 2.80 4.91 -1.26 1.70 4.76 0.49 -4.62 118.16 126.94 1wfm n LYS 131 Ca 0.01 -4.04 -0.45 0.00 -2.87 0.00 0.00 58.31 50.96 1wfm n LYS 131 Cb 0.49 -2.57 -0.04 0.00 -1.84 0.00 0.00 35.03 31.08 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 1.02 1.37 -0.87 -0.18 -2.24 -1.26 -3.61 114.28 108.51 1wfm n THR 132 Ca 0.53 -0.34 0.00 0.00 -2.27 0.00 0.00 64.05 61.97 1wfm n THR 132 Cb 0.26 0.00 0.00 0.00 -2.10 0.00 0.00 70.33 68.49 1wfm n THR 132 CO 0.00 0.00 0.00 -1.20 -0.57 0.00 0.00 175.07 173.30 1wfm n SER 133 N 1.67 -5.24 0.00 3.42 7.64 -1.26 -4.84 113.62 115.01 1wfm n SER 133 Ca 0.16 0.66 0.00 0.00 1.01 0.00 0.00 58.87 60.70 1wfm n SER 133 Cb 0.19 -2.03 0.00 0.00 -1.01 0.00 0.00 64.21 61.35 1wfm n SER 133 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 1wfm n GLY 134 N -0.62 2.08 3.75 0.23 0.00 -1.26 -4.85 105.19 104.51 1wfm n GLY 134 Ca 0.00 -1.84 -0.41 0.00 0.00 0.00 0.00 46.02 43.77 1wfm n GLY 134 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 1wfm s PRO 135 N -1.49 4.62 -0.10 1.61 0.04 -1.26 -4.95 135.00 133.47 1wfm s PRO 135 Ca 0.00 1.76 -0.04 0.00 0.04 0.00 0.00 61.00 62.75 1wfm s PRO 135 Cb 0.00 -3.23 -0.04 0.00 0.04 0.00 0.00 34.50 31.27 1wfm s PRO 135 CO 0.00 0.15 0.11 1.03 0.04 0.00 0.00 177.00 178.34 1wfm h SER 136 N 4.46 -0.01 -2.85 6.66 0.87 -2.02 -3.48 113.55 117.19 1wfm h SER 136 Ca -0.45 -0.13 -0.50 0.00 -1.23 0.00 0.00 61.79 59.47 1wfm h SER 136 Cb 1.21 0.00 -0.14 0.00 -0.44 0.00 0.00 62.40 63.03 1wfm h SER 136 CO 0.70 0.56 -0.70 -0.55 -0.53 0.00 0.00 176.83 176.31 1wfm s SER 137 N -5.63 2.88 0.00 6.23 0.15 -1.26 -4.99 113.70 111.08 1wfm s SER 137 Ca -0.03 -1.13 0.00 0.00 0.70 0.00 0.00 55.95 55.50 1wfm s SER 137 Cb -0.00 -0.19 0.00 0.00 -1.71 0.00 0.00 66.02 64.12 1wfm s SER 137 CO 0.10 -0.24 0.19 0.61 1.20 0.00 0.00 173.24 175.10