#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1wfm s SER 2 N 0.00 -0.28 0.22 1.61 0.15 -1.26 -5.10 113.70 109.04 1wfm s SER 2 Ca 0.00 -0.50 0.00 0.00 0.70 0.00 0.00 55.95 56.15 1wfm s SER 2 Cb 0.00 0.67 0.00 0.00 -1.71 0.00 0.00 66.02 64.98 1wfm s SER 2 CO 0.00 -1.23 0.00 -1.54 1.20 0.00 0.00 173.24 171.67 1wfm n SER 3 N -0.45 -0.45 0.00 5.45 3.41 -1.26 -5.18 113.62 115.14 1wfm n SER 3 Ca -0.06 0.38 0.00 0.00 -0.26 0.00 0.00 58.87 58.93 1wfm n SER 3 Cb 0.60 0.59 0.00 0.00 -0.26 0.00 0.00 64.21 65.14 1wfm n SER 3 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 1wfm n GLY 4 N 1.17 1.26 3.58 5.00 0.00 -1.26 -5.13 105.19 109.81 1wfm n GLY 4 Ca 0.00 -2.17 -0.07 0.00 0.00 0.00 0.00 46.02 43.78 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 0.00 -0.25 0.03 1.61 0.15 -1.26 -5.19 113.70 108.79 1wfm s SER 5 Ca 0.00 0.16 -0.29 0.00 0.70 0.00 0.00 55.95 56.52 1wfm s SER 5 Cb 0.00 0.23 0.10 0.00 -1.71 0.00 0.00 66.02 64.64 1wfm s SER 5 CO 0.00 -0.32 1.08 -0.55 1.20 0.00 0.00 173.24 174.65 1wfm s SER 6 N -1.65 -0.16 0.03 5.45 0.15 -1.26 -5.15 113.70 111.10 1wfm s SER 6 Ca 0.04 -0.21 -0.28 0.00 0.70 0.00 0.00 55.95 56.21 1wfm s SER 6 Cb -0.01 0.33 0.10 0.00 -1.71 0.00 0.00 66.02 64.73 1wfm s SER 6 CO -0.04 -0.59 1.22 -0.83 1.20 0.00 0.00 173.24 174.20 1wfm s GLY 7 N -2.79 -0.20 -0.07 9.45 0.00 -1.26 -5.19 107.32 107.26 1wfm s GLY 7 Ca 0.11 0.23 -0.31 0.00 0.00 0.00 0.00 44.72 44.75 1wfm s GLY 7 CO -0.02 2.51 1.01 -0.45 0.00 0.00 0.00 173.10 176.15 1wfm s SER 8 N -3.35 -0.27 0.05 1.64 0.15 -1.26 -4.91 113.70 105.75 1wfm s SER 8 Ca 0.21 -0.01 -0.28 0.00 0.70 0.00 0.00 55.95 56.57 1wfm s SER 8 Cb 0.01 0.29 0.09 0.00 -1.71 0.00 0.00 66.02 64.71 1wfm s SER 8 CO -0.01 -0.48 1.07 0.86 1.20 0.00 0.00 173.24 175.89 1wfm s TRP 9 N -2.85 -0.13 1.14 3.44 -0.00 -1.26 -5.16 118.94 114.11 1wfm s TRP 9 Ca 0.07 -0.07 -0.16 0.00 -0.00 0.00 0.00 56.10 55.94 1wfm s TRP 9 Cb -0.01 0.59 0.17 0.00 -0.00 0.00 0.00 33.47 34.22 1wfm s TRP 9 CO -0.07 -0.57 0.37 0.09 -0.00 0.00 0.00 176.95 176.76 1wfm n ASN 10 N -0.42 -2.15 -1.22 5.86 3.02 -1.26 -4.76 115.26 114.33 1wfm n ASN 10 Ca -0.07 -0.13 0.14 0.00 -0.03 0.00 0.00 54.58 54.50 1wfm n ASN 10 Cb 0.61 -1.07 -0.05 0.00 -0.61 0.00 0.00 39.78 38.66 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 -3.08 -2.38 -4.04 3.52 1.13 -1.26 -4.97 117.38 106.31 1wfm n GLN 11 Ca 0.02 1.79 -0.11 0.00 -1.94 0.00 0.00 57.00 56.75 1wfm n GLN 11 Cb 0.59 -2.96 -0.11 0.00 0.11 0.00 0.00 30.24 27.87 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 -3.30 0.41 0.14 -1.58 0.00 -1.26 -5.10 121.76 111.06 1wfm s ALA 12 Ca 0.00 -0.73 -0.30 0.00 0.00 0.00 0.00 51.96 50.93 1wfm s ALA 12 Cb 0.00 0.10 -0.07 0.00 0.00 0.00 0.00 23.12 23.15 1wfm s ALA 12 CO 0.00 -0.09 1.13 -1.25 0.00 0.00 0.00 175.76 175.55 1wfm s PRO 13 N -1.69 4.54 0.11 0.00 0.04 -1.26 -4.82 135.00 131.92 1wfm s PRO 13 Ca -0.11 1.74 0.09 0.00 0.04 0.00 0.00 61.00 62.76 1wfm s PRO 13 Cb -0.09 -3.30 -0.04 0.00 0.04 0.00 0.00 34.50 31.12 1wfm s PRO 13 CO -0.01 -0.04 -0.19 0.15 0.04 0.00 0.00 177.00 176.96 1wfm s LYS 14 N 0.06 1.78 -0.15 4.56 1.02 0.74 -0.05 119.74 127.71 1wfm s LYS 14 Ca 0.52 -1.18 -0.04 0.00 0.02 0.00 0.00 55.97 55.30 1wfm s LYS 14 Cb -0.29 -2.10 0.06 0.00 -0.52 0.00 0.00 37.83 34.98 1wfm s LYS 14 CO 0.33 0.48 0.13 -1.17 -0.92 0.00 0.00 175.35 174.21 1wfm s LEU 15 N -2.07 0.12 0.08 3.17 2.96 0.36 0.22 118.68 123.52 1wfm s LEU 15 Ca 0.17 -0.25 -0.22 0.00 -0.22 0.00 0.00 54.13 53.61 1wfm s LEU 15 Cb -0.11 0.02 -0.07 0.00 0.50 0.00 0.00 46.19 46.54 1wfm s LEU 15 CO 0.09 -0.31 0.66 -2.28 -1.32 0.00 0.00 176.35 173.19 1wfm s HIS 16 N 2.22 3.80 -0.23 5.38 5.65 0.06 -2.43 115.29 129.74 1wfm s HIS 16 Ca 0.04 1.38 -0.19 0.00 0.25 0.00 0.00 55.06 56.54 1wfm s HIS 16 Cb -0.15 -2.63 0.06 0.00 -1.18 0.00 0.00 32.58 28.68 1wfm s HIS 16 CO -0.08 0.48 0.60 1.52 -0.65 0.00 0.00 174.74 176.61 1wfm s TYR 17 N -0.81 -0.73 -0.33 3.88 -0.85 -1.14 -2.26 117.35 115.10 1wfm s TYR 17 Ca 0.32 1.68 -0.05 0.00 -0.52 0.00 0.00 57.07 58.50 1wfm s TYR 17 Cb -0.20 0.30 0.05 0.00 0.38 0.00 0.00 41.96 42.49 1wfm s TYR 17 CO 0.21 -0.36 0.09 0.00 -1.52 0.00 0.00 175.55 173.97 1wfm s LEU 19 N 1.35 4.40 -0.25 0.00 2.01 -1.25 -1.15 118.68 123.80 1wfm s LEU 19 Ca -0.02 1.52 -0.03 0.00 0.01 0.00 0.00 54.13 55.61 1wfm s LEU 19 Cb -0.20 -3.37 0.14 0.00 0.01 0.00 0.00 46.19 42.77 1wfm s LEU 19 CO 0.01 -0.12 0.44 -0.62 1.01 0.00 0.00 176.35 177.08 1wfm s ASP 20 N 0.49 -0.23 -0.32 2.29 2.15 -0.34 0.20 116.67 120.91 1wfm s ASP 20 Ca 0.44 0.52 -0.12 0.00 0.43 0.00 0.00 52.55 53.81 1wfm s ASP 20 Cb -0.21 1.42 -0.03 0.00 -0.30 0.00 0.00 42.92 43.81 1wfm s ASP 20 CO 0.25 -0.28 0.23 -0.47 -0.17 0.00 0.00 175.17 174.73 1wfm s TYR 21 N 2.64 3.23 -0.99 -5.34 5.04 -1.26 -1.10 117.35 119.56 1wfm s TYR 21 Ca 0.12 -0.09 -0.15 0.00 -2.44 0.00 0.00 57.07 54.52 1wfm s TYR 21 Cb -0.15 -2.45 0.19 0.00 0.35 0.00 0.00 41.96 39.90 1wfm s TYR 21 CO -0.17 -0.30 1.08 -0.51 -1.34 0.00 0.00 175.55 174.32 1wfm s ASP 22 N 1.73 6.87 0.48 4.32 1.01 -1.14 -4.85 116.67 125.10 1wfm s ASP 22 Ca 0.07 -2.68 0.34 0.00 0.71 0.00 0.00 52.55 50.99 1wfm s ASP 22 Cb -0.17 -2.31 1.48 0.00 1.01 0.00 0.00 42.92 42.93 1wfm s ASP 22 CO 0.11 -0.73 1.65 0.00 0.21 0.00 0.00 175.17 176.41 1wfm h GLN 24 N 0.08 0.10 0.04 0.00 4.20 -1.97 -2.77 115.11 114.79 1wfm h GLN 24 Ca 0.79 -0.01 -0.31 0.00 0.06 0.00 0.00 58.65 59.19 1wfm h GLN 24 Cb 2.70 -0.02 -0.04 0.00 0.30 0.00 0.00 27.48 30.42 1wfm h GLN 24 CO -0.26 0.07 -1.73 0.87 -0.67 0.00 0.00 178.83 177.11 1wfm h LYS 25 N 0.10 0.09 -1.16 1.46 1.57 0.11 -3.48 116.57 115.26 1wfm h LYS 25 Ca 0.17 -0.15 -0.03 0.00 -1.87 0.00 0.00 60.65 58.76 1wfm h LYS 25 Cb 0.23 0.06 0.01 0.00 0.08 0.00 0.00 32.23 32.61 1wfm h LYS 25 CO -0.28 0.75 -0.05 0.00 -0.57 0.00 0.00 179.45 179.30 1wfm n ALA 26 N -2.66 -0.09 -2.96 3.86 0.00 0.60 -4.97 120.51 114.28 1wfm n ALA 26 Ca -0.20 0.03 -0.18 0.00 0.00 0.00 0.00 53.44 53.10 1wfm n ALA 26 Cb 1.05 -0.85 -0.15 0.00 0.00 0.00 0.00 19.45 19.50 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 -4.90 0.60 0.14 0.00 8.01 -1.24 -1.16 118.70 120.15 1wfm s GLU 27 Ca 0.04 -0.20 -0.28 0.00 0.01 0.00 0.00 54.97 54.54 1wfm s GLU 27 Cb -0.02 -0.59 -0.07 0.00 -4.31 0.00 0.00 34.13 29.14 1wfm s GLU 27 CO 0.05 0.09 0.86 -1.17 0.01 0.00 0.00 175.26 175.10 1wfm s LEU 28 N 0.12 4.55 0.06 1.80 1.98 0.66 -2.88 118.68 124.96 1wfm s LEU 28 Ca -0.01 1.71 0.09 0.00 -2.89 0.00 0.00 54.13 53.04 1wfm s LEU 28 Cb -0.06 -3.44 -0.03 0.00 0.66 0.00 0.00 46.19 43.32 1wfm s LEU 28 CO -0.00 0.08 -0.25 -0.36 -1.89 0.00 0.00 176.35 173.92 1wfm s PHE 29 N -0.58 2.36 -0.42 5.38 0.40 -0.26 0.20 117.98 125.07 1wfm s PHE 29 Ca 0.41 -0.38 0.02 0.00 -0.60 0.00 0.00 56.93 56.38 1wfm s PHE 29 Cb -0.23 -1.37 0.15 0.00 0.51 0.00 0.00 43.02 42.08 1wfm s PHE 29 CO 0.28 0.19 0.28 0.08 0.70 0.00 0.00 175.22 176.76 1wfm s VAL 30 N -0.88 0.65 0.00 -0.44 1.01 0.52 -1.20 120.40 120.05 1wfm s VAL 30 Ca 0.13 -2.40 0.00 0.00 0.00 0.00 0.00 61.98 59.71 1wfm s VAL 30 Cb -0.10 -1.46 0.00 0.00 0.00 0.00 0.00 36.38 34.82 1wfm s VAL 30 CO 0.04 -1.06 0.00 0.35 0.00 0.00 0.00 175.10 174.42 1wfm n THR 31 N 3.36 0.00 -3.81 3.92 -2.24 -0.30 0.51 114.28 115.72 1wfm n THR 31 Ca 0.18 0.00 -0.24 0.00 -2.27 0.00 0.00 64.05 61.73 1wfm n THR 31 Cb 0.40 -1.24 0.01 0.00 -2.10 0.00 0.00 70.33 67.41 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 -0.42 -4.42 -2.38 -0.78 5.12 -1.26 0.11 116.66 112.62 1wfm n ARG 32 Ca 0.00 0.55 -0.43 0.00 -1.93 0.00 0.00 57.85 56.04 1wfm n ARG 32 Cb 0.00 -5.00 -0.02 0.00 -1.16 0.00 0.00 32.46 26.28 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 -6.83 3.84 -0.37 0.55 2.01 -1.25 -2.92 118.68 113.72 1wfm s LEU 33 Ca 0.08 1.19 0.01 0.00 0.01 0.00 0.00 54.13 55.42 1wfm s LEU 33 Cb -0.04 -3.54 0.15 0.00 0.01 0.00 0.00 46.19 42.77 1wfm s LEU 33 CO 0.84 -1.14 0.26 -1.61 1.01 0.00 0.00 176.35 175.71 1wfm s GLU 34 N 4.31 0.62 -0.09 1.70 2.02 -0.96 -2.17 118.70 124.13 1wfm s GLU 34 Ca 0.58 -1.39 -0.30 0.00 0.02 0.00 0.00 54.97 53.89 1wfm s GLU 34 Cb -0.17 -1.22 -0.02 0.00 0.10 0.00 0.00 34.13 32.82 1wfm s GLU 34 CO 0.25 -1.24 1.17 0.00 0.02 0.00 0.00 175.26 175.46 1wfm s ALA 35 N 0.95 3.52 -0.75 5.21 0.00 -0.75 -0.76 121.76 129.18 1wfm s ALA 35 Ca 0.20 0.52 0.03 0.00 0.00 0.00 0.00 51.96 52.72 1wfm s ALA 35 Cb -0.17 -3.52 0.25 0.00 0.00 0.00 0.00 23.12 19.67 1wfm s ALA 35 CO -0.03 -0.82 0.84 0.28 0.00 0.00 0.00 175.76 176.03 1wfm n VAL 36 N 4.77 2.85 -1.61 0.00 0.31 0.61 -0.55 118.33 124.71 1wfm n VAL 36 Ca 0.11 -5.29 0.00 0.00 -0.01 0.00 0.00 64.34 59.15 1wfm n VAL 36 Cb 0.46 -2.14 0.00 0.00 -0.91 0.00 0.00 33.84 31.25 1wfm n VAL 36 CO 0.00 0.00 0.00 0.35 -1.32 0.00 0.00 176.83 175.86 1wfm n THR 37 N 1.24 0.00 -3.16 2.52 -2.24 -1.26 -0.18 114.28 111.19 1wfm n THR 37 Ca 0.27 0.00 -0.05 0.00 -2.27 0.00 0.00 64.05 62.01 1wfm n THR 37 Cb 0.38 -1.57 -0.02 0.00 -2.10 0.00 0.00 70.33 67.02 1wfm n THR 37 CO 0.00 0.00 0.00 -0.94 -0.57 0.00 0.00 175.07 173.56 1wfm s SER 38 N -1.00 -0.88 0.11 3.42 1.04 -1.26 -4.65 113.70 110.48 1wfm s SER 38 Ca 0.00 -1.20 -0.18 0.00 0.48 0.00 0.00 55.95 55.05 1wfm s SER 38 Cb 0.00 1.59 0.04 0.00 0.10 0.00 0.00 66.02 67.75 1wfm s SER 38 CO 0.00 -0.16 0.44 0.21 0.98 0.00 0.00 173.24 174.70 1wfm s ASN 39 N 1.52 -0.30 -0.22 7.02 2.47 -1.26 -5.08 114.94 119.08 1wfm s ASN 39 Ca 0.19 -0.18 -0.39 0.00 0.42 0.00 0.00 52.86 52.90 1wfm s ASN 39 Cb -0.05 0.48 -0.15 0.00 -1.45 0.00 0.00 41.25 40.08 1wfm s ASN 39 CO -0.06 -0.82 1.73 1.41 -3.72 0.00 0.00 177.10 175.64 1wfm n HIS 40 N -0.07 2.05 -1.83 0.43 8.25 -1.26 -4.87 115.22 117.92 1wfm n HIS 40 Ca -0.17 0.47 -0.29 0.00 -0.26 0.00 0.00 57.72 57.47 1wfm n HIS 40 Cb 0.63 -2.48 0.08 0.00 1.12 0.00 0.00 29.99 29.34 1wfm n HIS 40 CO 0.00 0.00 0.00 0.16 0.64 0.00 0.00 176.34 177.14 1wfm s ASP 41 N 3.35 4.76 0.02 0.41 1.47 -1.26 -4.84 116.67 120.57 1wfm s ASP 41 Ca 0.96 0.98 0.00 0.00 1.18 0.00 0.00 52.55 55.67 1wfm s ASP 41 Cb -1.01 -1.61 0.00 0.00 -0.34 0.00 0.00 42.92 39.96 1wfm s ASP 41 CO 0.62 -1.76 0.00 0.61 0.68 0.00 0.00 175.17 175.32 1wfm n GLY 42 N -2.99 -3.97 0.00 2.12 0.00 -1.25 -5.05 105.19 94.05 1wfm n GLY 42 Ca 0.07 -0.38 0.00 0.00 0.00 0.00 0.00 46.02 45.72 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 0.67 2.69 1.24 -0.02 0.00 -1.26 -5.06 105.19 103.45 1wfm n GLY 43 Ca 0.00 -0.71 0.00 0.00 0.00 0.00 0.00 46.02 45.31 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 -3.51 7.01 0.21 0.00 1.01 -1.26 -4.45 116.67 115.68 1wfm s ASP 45 Ca 0.00 1.20 0.05 0.00 0.71 0.00 0.00 52.55 54.52 1wfm s ASP 45 Cb 0.00 -2.34 -0.04 0.00 1.01 0.00 0.00 42.92 41.56 1wfm s ASP 45 CO 0.00 0.27 0.21 0.00 0.21 0.00 0.00 175.17 175.86 1wfm s TYR 47 N -1.93 -0.57 0.35 0.00 -0.85 -0.68 -1.66 117.35 112.00 1wfm s TYR 47 Ca 0.33 1.22 -0.03 0.00 -0.52 0.00 0.00 57.07 58.06 1wfm s TYR 47 Cb -0.09 0.37 -0.04 0.00 0.38 0.00 0.00 41.96 42.58 1wfm s TYR 47 CO 0.25 -0.37 0.60 0.54 -1.52 0.00 0.00 175.55 175.05 1wfm s VAL 48 N -0.35 5.02 -0.01 -3.49 0.11 -1.26 -1.40 120.40 119.02 1wfm s VAL 48 Ca -0.02 -0.07 -0.00 0.00 -2.93 0.00 0.00 61.98 58.96 1wfm s VAL 48 Cb -0.03 -3.80 0.01 0.00 -1.53 0.00 0.00 36.38 31.04 1wfm s VAL 48 CO 0.01 -0.50 0.02 -1.58 -3.33 0.00 0.00 175.10 169.72 1wfm s GLN 49 N -4.02 -0.01 -0.23 1.54 0.74 0.36 -1.34 119.66 116.70 1wfm s GLN 49 Ca 0.43 0.09 -0.02 0.00 0.05 0.00 0.00 55.36 55.92 1wfm s GLN 49 Cb -0.10 -0.11 0.02 0.00 1.10 0.00 0.00 33.01 33.91 1wfm s GLN 49 CO 0.35 -0.08 -0.09 0.20 -0.55 0.00 0.00 175.29 175.12 1wfm s GLY 50 N 0.49 1.57 0.01 2.59 0.00 0.57 0.21 107.32 112.76 1wfm s GLY 50 Ca -0.04 -1.33 0.03 0.00 0.00 0.00 0.00 44.72 43.38 1wfm s GLY 50 CO -0.01 0.45 -0.06 -1.35 0.00 0.00 0.00 173.10 172.12 1wfm s SER 51 N 1.36 4.69 0.05 1.64 1.04 -0.31 -0.31 113.70 121.85 1wfm s SER 51 Ca 0.03 -0.13 0.06 0.00 0.48 0.00 0.00 55.95 56.38 1wfm s SER 51 Cb -0.15 -1.11 -0.02 0.00 0.10 0.00 0.00 66.02 64.84 1wfm s SER 51 CO -0.06 0.28 -0.17 -0.69 0.98 0.00 0.00 173.24 173.58 1wfm s VAL 52 N -1.02 1.37 -0.20 5.02 1.01 -1.05 0.21 120.40 125.74 1wfm s VAL 52 Ca 0.18 -1.13 -0.03 0.00 0.00 0.00 0.00 61.98 61.00 1wfm s VAL 52 Cb -0.11 -1.22 0.06 0.00 0.00 0.00 0.00 36.38 35.11 1wfm s VAL 52 CO 0.08 0.06 0.03 0.00 0.00 0.00 0.00 175.10 175.28 1wfm s ALA 53 N -0.87 1.05 0.47 5.51 0.00 -0.66 -0.87 121.76 126.39 1wfm s ALA 53 Ca 0.04 -0.74 0.05 0.00 0.00 0.00 0.00 51.96 51.30 1wfm s ALA 53 Cb -0.08 -1.20 0.05 0.00 0.00 0.00 0.00 23.12 21.88 1wfm s ALA 53 CO 0.02 -1.19 0.39 0.27 0.00 0.00 0.00 175.76 175.24 1wfm n ASN 54 N 5.03 2.42 -0.11 0.00 0.23 -0.81 -2.30 115.26 119.72 1wfm n ASN 54 Ca -0.09 -2.58 0.06 0.00 -0.53 0.00 0.00 54.58 51.44 1wfm n ASN 54 Cb 0.47 -0.07 0.34 0.00 -2.08 0.00 0.00 39.78 38.44 1wfm n ASN 54 CO 0.00 0.00 0.00 -1.14 -0.93 0.00 0.00 177.26 175.19 1wfm n ARG 55 N -1.65 1.14 -0.06 -3.83 0.63 -1.12 -3.26 116.66 108.51 1wfm n ARG 55 Ca -0.00 -0.21 -0.07 0.00 -0.92 0.00 0.00 57.85 56.64 1wfm n ARG 55 Cb 0.53 -1.21 -0.07 0.00 0.45 0.00 0.00 32.46 32.16 1wfm n ARG 55 CO 0.00 0.00 0.00 0.25 -2.51 0.00 0.00 177.63 175.37 1wfm n THR 56 N -0.48 0.75 0.00 5.15 -2.24 -1.26 -5.11 114.28 111.08 1wfm n THR 56 Ca 0.10 -0.37 0.00 0.00 -2.27 0.00 0.00 64.05 61.51 1wfm n THR 56 Cb 0.09 -0.86 0.00 0.00 -2.10 0.00 0.00 70.33 67.46 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 2.62 -0.39 3.55 3.38 0.00 -1.20 -5.17 105.19 107.98 1wfm n GLY 57 Ca -0.21 0.41 -0.10 0.00 0.00 0.00 0.00 46.02 46.12 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 -0.39 0.18 1.61 1.04 -1.26 -1.92 113.70 108.96 1wfm s SER 58 Ca 0.00 0.30 0.02 0.00 0.48 0.00 0.00 55.95 56.75 1wfm s SER 58 Cb 0.00 0.34 -0.01 0.00 0.10 0.00 0.00 66.02 66.45 1wfm s SER 58 CO 0.00 -0.44 0.06 1.33 0.98 0.00 0.00 173.24 175.17 1wfm n VAL 59 N 0.45 0.00 -3.51 5.02 0.24 -0.05 -4.98 118.33 115.50 1wfm n VAL 59 Ca -0.10 -1.06 -0.10 0.00 -2.04 0.00 0.00 64.34 61.03 1wfm n VAL 59 Cb 0.59 0.38 -0.02 0.00 -1.47 0.00 0.00 33.84 33.32 1wfm n VAL 59 CO 0.00 0.00 0.00 -1.61 -2.14 0.00 0.00 176.83 173.08 1wfm s GLU 60 N -2.70 1.26 -0.02 7.34 2.02 -1.26 -2.54 118.70 122.81 1wfm s GLU 60 Ca 0.09 -0.52 -0.30 0.00 0.02 0.00 0.00 54.97 54.26 1wfm s GLU 60 Cb 0.00 0.54 0.11 0.00 0.10 0.00 0.00 34.13 34.89 1wfm s GLU 60 CO 0.06 -0.56 1.07 0.00 0.02 0.00 0.00 175.26 175.86 1wfm s ALA 61 N -3.64 -1.94 0.26 5.21 0.00 0.57 -4.92 121.76 117.30 1wfm s ALA 61 Ca 0.04 0.90 -0.21 0.00 0.00 0.00 0.00 51.96 52.69 1wfm s ALA 61 Cb -0.02 0.31 0.05 0.00 0.00 0.00 0.00 23.12 23.47 1wfm s ALA 61 CO -0.09 -0.82 0.85 1.14 0.00 0.00 0.00 175.76 176.84 1wfm s GLN 62 N -2.82 1.68 0.32 0.00 1.03 -1.26 0.21 119.66 118.81 1wfm s GLN 62 Ca 0.10 -1.00 0.02 0.00 0.04 0.00 0.00 55.36 54.52 1wfm s GLN 62 Cb 0.00 0.52 0.06 0.00 0.03 0.00 0.00 33.01 33.62 1wfm s GLN 62 CO -0.04 -0.78 0.44 0.25 -2.54 0.00 0.00 175.29 172.62 1wfm n THR 63 N -0.52 0.00 -3.25 3.63 -2.24 -0.45 -4.87 114.28 106.58 1wfm n THR 63 Ca -0.06 -0.84 -0.38 0.00 -2.27 0.00 0.00 64.05 60.50 1wfm n THR 63 Cb 0.60 -0.96 -0.06 0.00 -2.10 0.00 0.00 70.33 67.81 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 -2.65 3.48 0.43 6.98 0.00 -1.26 -4.77 121.76 123.96 1wfm s ALA 64 Ca 0.31 -0.06 -0.20 0.00 0.00 0.00 0.00 51.96 52.01 1wfm s ALA 64 Cb -0.02 -2.71 -0.15 0.00 0.00 0.00 0.00 23.12 20.24 1wfm s ALA 64 CO 0.20 0.10 0.08 1.28 0.00 0.00 0.00 175.76 177.41 1wfm n LEU 65 N 3.13 -2.80 -3.89 0.00 7.99 -1.26 -4.87 117.00 115.30 1wfm n LEU 65 Ca -0.07 0.78 -0.09 0.00 -0.01 0.00 0.00 56.01 56.62 1wfm n LEU 65 Cb 0.51 -0.89 -0.05 0.00 -0.11 0.00 0.00 43.42 42.88 1wfm n LEU 65 CO 0.43 -4.23 0.20 -0.54 -1.51 0.00 0.00 177.39 171.74 1wfm s LYS 66 N -1.06 1.44 -0.29 3.23 1.02 -0.66 -4.95 119.74 118.47 1wfm s LYS 66 Ca 0.59 -1.09 -0.29 0.00 0.02 0.00 0.00 55.97 55.21 1wfm s LYS 66 Cb -0.60 0.48 0.01 0.00 -0.52 0.00 0.00 37.83 37.20 1wfm s LYS 66 CO 0.63 -0.60 1.05 0.21 -0.92 0.00 0.00 175.35 175.72 1wfm s LYS 67 N -3.95 4.14 -0.06 1.68 2.20 -1.26 -1.18 119.74 121.30 1wfm s LYS 67 Ca 0.16 1.16 -0.38 0.00 -0.36 0.00 0.00 55.97 56.55 1wfm s LYS 67 Cb -0.00 -3.70 -0.16 0.00 -1.51 0.00 0.00 37.83 32.45 1wfm s LYS 67 CO 0.03 -0.79 1.52 -2.13 -0.36 0.00 0.00 175.35 173.62 1wfm n ARG 68 N 6.64 1.22 -4.31 4.03 0.63 -1.26 -4.89 116.66 118.72 1wfm n ARG 68 Ca 0.12 0.44 -0.18 0.00 -0.92 0.00 0.00 57.85 57.31 1wfm n ARG 68 Cb 0.47 -2.12 -0.09 0.00 0.45 0.00 0.00 32.46 31.17 1wfm n ARG 68 CO 0.00 0.00 0.00 -0.65 -2.51 0.00 0.00 177.63 174.47 1wfm s GLN 69 N 1.80 1.59 0.00 -0.14 -1.52 -1.26 -3.91 119.66 116.22 1wfm s GLN 69 Ca 0.90 -1.91 0.14 0.00 -1.95 0.00 0.00 55.36 52.54 1wfm s GLN 69 Cb -0.98 0.04 0.67 0.00 -0.22 0.00 0.00 33.01 32.51 1wfm s GLN 69 CO 0.54 -0.49 1.43 1.28 -0.25 0.00 0.00 175.29 177.79 1wfm n LEU 70 N -0.56 0.00 -2.72 2.90 7.99 -1.26 -4.19 117.00 119.16 1wfm n LEU 70 Ca 0.02 0.40 -0.01 0.00 -0.01 0.00 0.00 56.01 56.41 1wfm n LEU 70 Cb 0.64 -0.40 0.02 0.00 -0.11 0.00 0.00 43.42 43.57 1wfm n LEU 70 CO 0.34 -0.21 0.45 -2.28 -1.51 0.00 0.00 177.39 174.18 1wfm s HIS 71 N -2.80 -0.43 0.59 -1.77 5.04 -1.25 -4.04 115.29 110.62 1wfm s HIS 71 Ca 0.10 -0.06 -0.15 0.00 -1.54 0.00 0.00 55.06 53.41 1wfm s HIS 71 Cb 0.09 0.08 -0.04 0.00 0.04 0.00 0.00 32.58 32.76 1wfm s HIS 71 CO 0.24 -0.32 1.04 0.99 -2.34 0.00 0.00 174.74 174.35 1wfm s THR 72 N 1.37 4.05 -0.14 0.89 2.01 0.29 -4.89 115.64 119.21 1wfm s THR 72 Ca 0.20 0.92 -0.09 0.00 0.31 0.00 0.00 61.69 63.04 1wfm s THR 72 Cb 0.08 -3.49 0.05 0.00 0.01 0.00 0.00 72.50 69.15 1wfm s THR 72 CO -0.12 -0.62 0.35 0.42 -0.69 0.00 0.00 174.62 173.96 1wfm s THR 73 N -2.60 -0.02 0.54 -0.82 -4.23 -1.26 -1.80 115.64 105.43 1wfm s THR 73 Ca 0.61 0.09 0.09 0.00 -1.18 0.00 0.00 61.69 61.30 1wfm s THR 73 Cb -0.14 -0.52 0.06 0.00 1.34 0.00 0.00 72.50 73.24 1wfm s THR 73 CO 0.39 0.04 0.67 0.26 -0.54 0.00 0.00 174.62 175.43 1wfm s TRP 74 N 1.12 1.73 -0.16 3.99 0.51 -0.92 -5.03 118.94 120.17 1wfm s TRP 74 Ca -0.08 -0.68 0.15 0.00 -2.12 0.00 0.00 56.10 53.37 1wfm s TRP 74 Cb -0.08 -2.18 0.28 0.00 -0.81 0.00 0.00 33.47 30.68 1wfm s TRP 74 CO -0.09 -0.87 1.18 0.39 -0.51 0.00 0.00 176.95 177.05 1wfm n GLU 75 N -2.06 1.99 -3.65 4.98 1.02 -1.26 -4.69 120.64 116.98 1wfm n GLU 75 Ca 0.11 -2.40 -0.16 0.00 -0.02 0.00 0.00 57.16 54.69 1wfm n GLU 75 Cb 0.62 -1.46 -0.05 0.00 -0.02 0.00 0.00 31.44 30.52 1wfm n GLU 75 CO 0.00 0.00 0.00 -0.85 1.18 0.00 0.00 177.13 177.46 1wfm n GLU 76 N -0.98 0.45 -4.36 3.49 0.28 -1.26 -5.06 120.64 113.20 1wfm n GLU 76 Ca 0.14 -2.42 -0.20 0.00 -0.16 0.00 0.00 57.16 54.52 1wfm n GLU 76 Cb 0.61 1.70 -0.09 0.00 1.43 0.00 0.00 31.44 35.08 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 -2.72 2.24 -0.32 -1.84 0.00 -1.26 -4.18 107.32 99.24 1wfm s GLY 77 Ca 0.23 -1.72 -0.07 0.00 0.00 0.00 0.00 44.72 43.16 1wfm s GLY 77 CO 0.16 -1.61 0.09 1.08 0.00 0.00 0.00 173.10 172.82 1wfm s LEU 78 N -3.42 4.07 -0.19 0.66 1.43 0.18 -4.83 118.68 116.58 1wfm s LEU 78 Ca 0.34 -0.91 -0.05 0.00 -1.03 0.00 0.00 54.13 52.49 1wfm s LEU 78 Cb 0.04 -1.88 -0.02 0.00 0.03 0.00 0.00 46.19 44.36 1wfm s LEU 78 CO 0.19 -0.26 -0.01 0.54 0.23 0.00 0.00 176.35 177.05 1wfm s VAL 79 N 1.46 3.92 0.06 -1.59 0.11 -1.25 0.20 120.40 123.30 1wfm s VAL 79 Ca 0.01 -0.33 0.06 0.00 -2.93 0.00 0.00 61.98 58.79 1wfm s VAL 79 Cb -0.18 -2.76 -0.03 0.00 -1.53 0.00 0.00 36.38 31.88 1wfm s VAL 79 CO 0.03 0.44 -0.17 -0.76 -3.33 0.00 0.00 175.10 171.30 1wfm s LEU 80 N 0.90 2.22 -0.01 2.54 1.43 0.53 -4.92 118.68 121.38 1wfm s LEU 80 Ca 0.01 -0.56 -0.30 0.00 -1.03 0.00 0.00 54.13 52.25 1wfm s LEU 80 Cb -0.14 -0.73 -0.04 0.00 0.03 0.00 0.00 46.19 45.31 1wfm s LEU 80 CO 0.02 0.04 1.20 -2.16 0.23 0.00 0.00 176.35 175.68 1wfm s PRO 81 N -1.45 4.39 -0.25 1.29 0.04 -1.26 0.24 135.00 138.00 1wfm s PRO 81 Ca 0.03 1.71 -0.14 0.00 0.04 0.00 0.00 61.00 62.64 1wfm s PRO 81 Cb -0.09 -3.48 0.07 0.00 0.04 0.00 0.00 34.50 31.05 1wfm s PRO 81 CO 0.02 -0.36 0.61 -1.17 0.04 0.00 0.00 177.00 176.14 1wfm s LEU 82 N 1.74 -0.69 0.38 -3.56 1.98 -0.31 -4.82 118.68 113.41 1wfm s LEU 82 Ca 0.57 1.33 -0.18 0.00 -2.89 0.00 0.00 54.13 52.96 1wfm s LEU 82 Cb -0.27 2.08 -0.10 0.00 0.66 0.00 0.00 46.19 48.56 1wfm s LEU 82 CO 0.25 -0.23 0.86 0.00 -1.89 0.00 0.00 176.35 175.34 1wfm s ALA 83 N 1.55 3.16 0.35 5.97 0.00 -1.26 -3.70 121.76 127.84 1wfm s ALA 83 Ca -0.10 0.25 0.31 0.00 0.00 0.00 0.00 51.96 52.42 1wfm s ALA 83 Cb -0.06 -2.99 1.50 0.00 0.00 0.00 0.00 23.12 21.57 1wfm s ALA 83 CO -0.18 0.22 2.06 1.49 0.00 0.00 0.00 175.76 179.35 1wfm h GLU 84 N 2.06 0.00 -0.00 0.00 4.81 -1.95 -0.03 114.58 119.47 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 1.18 0.00 0.00 0.00 0.63 0.00 0.00 28.75 30.56 1wfm h GLU 84 CO 0.63 0.09 -0.02 -0.85 -0.73 0.00 0.00 179.01 178.13 1wfm n GLU 85 N -3.42 0.60 0.00 1.92 0.28 -1.26 -2.93 120.64 115.83 1wfm n GLU 85 Ca -0.01 -0.05 0.02 0.00 -0.16 0.00 0.00 57.16 56.96 1wfm n GLU 85 Cb 0.25 -1.50 -0.02 0.00 1.43 0.00 0.00 31.44 31.61 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 -1.16 4.82 -0.32 3.44 1.02 -0.11 -4.62 120.64 123.70 1wfm n GLU 86 Ca 0.16 -0.11 0.03 0.00 -0.02 0.00 0.00 57.16 57.22 1wfm n GLU 86 Cb 0.22 -0.75 0.10 0.00 -0.02 0.00 0.00 31.44 31.00 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 0.13 -0.94 -0.67 -4.62 3.38 -1.19 1.94 115.31 113.34 1wfm h LEU 87 Ca 0.00 0.27 -0.05 0.00 0.09 0.00 0.00 57.88 58.19 1wfm h LEU 87 Cb 0.11 0.58 -0.01 0.00 0.09 0.00 0.00 40.66 41.43 1wfm h LEU 87 CO 0.00 -0.30 -0.26 1.55 0.09 0.00 0.00 178.44 179.53 1wfm h PRO 88 N -0.01 0.00 -0.71 1.13 0.13 -1.83 -2.96 132.00 127.75 1wfm h PRO 88 Ca 0.41 0.00 -0.33 0.00 -0.87 0.00 0.00 66.00 65.21 1wfm h PRO 88 Cb 0.64 0.00 -0.20 0.00 0.13 0.00 0.00 31.00 31.57 1wfm h PRO 88 CO -0.92 0.26 0.32 0.25 -0.23 0.00 0.00 178.00 177.68 1wfm n THR 89 N -3.29 2.91 -3.92 1.56 -2.24 0.52 -4.93 114.28 104.90 1wfm n THR 89 Ca 0.01 -2.12 -0.10 0.00 -2.27 0.00 0.00 64.05 59.57 1wfm n THR 89 Cb 0.52 -0.39 -0.10 0.00 -2.10 0.00 0.00 70.33 68.26 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 -3.20 -0.13 -0.04 6.98 0.00 0.53 -2.79 121.76 123.11 1wfm s ALA 90 Ca 0.52 -0.37 -0.06 0.00 0.00 0.00 0.00 51.96 52.05 1wfm s ALA 90 Cb 0.44 0.16 0.01 0.00 0.00 0.00 0.00 23.12 23.73 1wfm s ALA 90 CO 0.08 -0.22 0.15 0.99 0.00 0.00 0.00 175.76 176.75 1wfm s THR 91 N -1.72 0.03 -0.19 0.00 2.01 -0.97 -4.32 115.64 110.47 1wfm s THR 91 Ca -0.13 -0.25 -0.09 0.00 0.31 0.00 0.00 61.69 61.53 1wfm s THR 91 Cb -0.07 -0.30 -0.05 0.00 0.01 0.00 0.00 72.50 72.10 1wfm s THR 91 CO -0.01 -0.14 0.13 -0.22 -0.69 0.00 0.00 174.62 173.69 1wfm s LEU 92 N -0.45 4.22 -0.37 4.42 1.98 -1.12 -1.66 118.68 125.70 1wfm s LEU 92 Ca -0.05 0.26 0.03 0.00 -2.89 0.00 0.00 54.13 51.48 1wfm s LEU 92 Cb -0.04 -2.08 0.11 0.00 0.66 0.00 0.00 46.19 44.84 1wfm s LEU 92 CO 0.01 0.22 0.10 -0.89 -1.89 0.00 0.00 176.35 173.89 1wfm s THR 93 N 0.14 2.45 -0.08 3.68 2.01 0.55 -1.00 115.64 123.39 1wfm s THR 93 Ca 0.09 -2.42 -0.30 0.00 0.31 0.00 0.00 61.69 59.37 1wfm s THR 93 Cb -0.11 -2.78 -0.03 0.00 0.01 0.00 0.00 72.50 69.59 1wfm s THR 93 CO -0.01 -0.64 1.19 -0.76 -0.69 0.00 0.00 174.62 173.72 1wfm s LEU 94 N 0.79 4.25 -0.13 4.42 1.02 0.42 -1.16 118.68 128.29 1wfm s LEU 94 Ca 0.11 1.75 -0.00 0.00 0.02 0.00 0.00 54.13 56.02 1wfm s LEU 94 Cb -0.20 -3.55 0.03 0.00 0.02 0.00 0.00 46.19 42.48 1wfm s LEU 94 CO -0.07 -0.61 -0.10 -0.89 0.02 0.00 0.00 176.35 174.71 1wfm s THR 95 N 2.46 1.25 -0.67 5.49 2.01 0.57 0.22 115.64 126.97 1wfm s THR 95 Ca 0.55 -0.46 -0.20 0.00 0.31 0.00 0.00 61.69 61.88 1wfm s THR 95 Cb -0.23 -1.24 0.10 0.00 0.01 0.00 0.00 72.50 71.14 1wfm s THR 95 CO 0.20 0.38 0.85 -0.22 -0.69 0.00 0.00 174.62 175.14 1wfm s LEU 96 N 1.61 5.05 0.41 4.42 2.96 0.15 0.13 118.68 133.42 1wfm s LEU 96 Ca 0.04 -1.41 0.07 0.00 -0.22 0.00 0.00 54.13 52.62 1wfm s LEU 96 Cb -0.13 -2.35 0.01 0.00 0.50 0.00 0.00 46.19 44.22 1wfm s LEU 96 CO -0.09 -1.20 0.56 -0.13 -1.32 0.00 0.00 176.35 174.17 1wfm s ARG 97 N 3.08 2.88 0.10 1.98 3.00 -0.49 0.22 118.95 129.71 1wfm s ARG 97 Ca 0.18 -1.14 0.09 0.00 0.00 0.00 0.00 55.73 54.86 1wfm s ARG 97 Cb -0.19 -2.75 -0.03 0.00 0.00 0.00 0.00 34.95 31.98 1wfm s ARG 97 CO 0.05 -0.22 -0.23 0.95 0.00 0.00 0.00 175.30 175.84 1wfm s THR 98 N -2.34 1.91 0.25 0.02 -4.23 -1.26 -1.69 115.64 108.30 1wfm s THR 98 Ca 0.53 -1.55 -0.27 0.00 -1.18 0.00 0.00 61.69 59.22 1wfm s THR 98 Cb -0.10 -1.70 -0.16 0.00 1.34 0.00 0.00 72.50 71.88 1wfm s THR 98 CO 0.33 0.06 0.58 0.00 -0.54 0.00 0.00 174.62 175.05 1wfm n ASP 100 N 1.83 2.87 0.09 0.00 5.75 -1.26 -4.82 116.55 121.01 1wfm n ASP 100 Ca 0.15 1.16 0.00 0.00 -0.01 0.00 0.00 54.79 56.09 1wfm n ASP 100 Cb 0.29 -1.46 0.00 0.00 -1.03 0.00 0.00 41.12 38.92 1wfm n ASP 100 CO 0.00 0.00 0.00 -1.14 -0.11 0.00 0.00 177.20 175.95 1wfm n ARG 101 N 1.70 0.00 -1.20 0.11 0.63 -1.26 -4.96 116.66 111.68 1wfm n ARG 101 Ca 0.10 0.00 0.02 0.00 -0.92 0.00 0.00 57.85 57.04 1wfm n ARG 101 Cb 0.33 -0.11 0.00 0.00 0.45 0.00 0.00 32.46 33.14 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 -3.25 0.00 -3.24 -0.14 3.72 -1.26 -5.02 117.46 108.28 1wfm n PHE 102 Ca 0.00 -0.39 -0.12 0.00 -0.05 0.00 0.00 57.45 56.89 1wfm n PHE 102 Cb 0.03 -0.02 0.04 0.00 -0.94 0.00 0.00 39.48 38.59 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 0.32 -6.87 -4.67 4.37 7.64 -1.26 -4.94 113.62 108.21 1wfm n SER 103 Ca -0.00 -0.54 -0.42 0.00 1.01 0.00 0.00 58.87 58.92 1wfm n SER 103 Cb 0.98 -5.02 -0.04 0.00 -1.01 0.00 0.00 64.21 59.12 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 -4.10 4.31 1.04 1.43 3.00 -1.26 -5.04 118.95 118.32 1wfm s ARG 104 Ca 0.31 1.06 -0.12 0.00 0.00 0.00 0.00 55.73 56.97 1wfm s ARG 104 Cb -0.05 -3.57 0.21 0.00 0.00 0.00 0.00 34.95 31.54 1wfm s ARG 104 CO 0.76 -0.34 1.08 -3.38 0.00 0.00 0.00 175.30 173.42 1wfm s HIS 105 N 2.17 1.90 0.27 -0.53 -3.43 -1.26 -4.84 115.29 109.57 1wfm s HIS 105 Ca 0.39 1.07 0.00 0.00 -0.80 0.00 0.00 55.06 55.72 1wfm s HIS 105 Cb -0.17 -3.21 0.00 0.00 -1.43 0.00 0.00 32.58 27.77 1wfm s HIS 105 CO 0.13 -3.15 0.00 0.43 -2.00 0.00 0.00 174.74 170.15 1wfm n SER 106 N -4.38 -7.25 -4.74 7.38 7.64 -1.26 -4.95 113.62 106.06 1wfm n SER 106 Ca 0.05 1.26 -0.28 0.00 1.01 0.00 0.00 58.87 60.91 1wfm n SER 106 Cb 0.56 -3.55 -0.07 0.00 -1.01 0.00 0.00 64.21 60.14 1wfm n SER 106 CO 0.00 0.00 0.00 0.68 -3.01 0.00 0.00 175.04 172.71 1wfm s VAL 107 N -1.94 1.78 -1.15 0.44 -7.23 -1.26 -5.00 120.40 106.05 1wfm s VAL 107 Ca 0.00 -1.83 0.28 0.00 -1.81 0.00 0.00 61.98 58.62 1wfm s VAL 107 Cb 0.00 -2.61 0.32 0.00 0.56 0.00 0.00 36.38 34.65 1wfm s VAL 107 CO 0.00 0.00 1.92 0.00 -0.31 0.00 0.00 175.10 176.71 1wfm n ALA 108 N -1.27 2.32 0.00 1.32 0.00 0.58 -4.87 120.51 118.59 1wfm n ALA 108 Ca -0.08 -0.11 0.00 0.00 0.00 0.00 0.00 53.44 53.25 1wfm n ALA 108 Cb 0.66 -1.45 0.00 0.00 0.00 0.00 0.00 19.45 18.66 1wfm n ALA 108 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1wfm n GLY 109 N 1.28 3.40 3.72 0.00 0.00 -1.11 -4.78 105.19 107.70 1wfm n GLY 109 Ca 0.09 -0.16 -0.29 0.00 0.00 0.00 0.00 46.02 45.66 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 -0.96 2.67 -0.27 1.61 8.01 -1.26 0.34 118.70 128.83 1wfm s GLU 110 Ca 0.00 -0.85 -0.01 0.00 0.01 0.00 0.00 54.97 54.12 1wfm s GLU 110 Cb 0.00 -2.57 0.13 0.00 -4.31 0.00 0.00 34.13 27.38 1wfm s GLU 110 CO 0.00 0.52 0.31 -1.17 0.01 0.00 0.00 175.26 174.94 1wfm s LEU 111 N -2.57 -0.36 0.26 1.80 1.98 0.58 0.19 118.68 120.56 1wfm s LEU 111 Ca 0.28 -0.48 -0.17 0.00 -2.89 0.00 0.00 54.13 50.87 1wfm s LEU 111 Cb -0.11 0.67 -0.08 0.00 0.66 0.00 0.00 46.19 47.33 1wfm s LEU 111 CO 0.20 -0.36 0.72 -0.60 -1.89 0.00 0.00 176.35 174.42 1wfm s ARG 112 N 2.41 4.12 0.29 1.98 3.52 -1.26 0.16 118.95 130.17 1wfm s ARG 112 Ca 0.10 0.75 -0.08 0.00 -0.13 0.00 0.00 55.73 56.36 1wfm s ARG 112 Cb -0.14 -2.68 -0.00 0.00 -1.56 0.00 0.00 34.95 30.57 1wfm s ARG 112 CO -0.27 0.29 0.47 -0.51 -0.81 0.00 0.00 175.30 174.47 1wfm s LEU 113 N -2.43 0.61 0.16 -0.88 1.43 -0.17 -4.93 118.68 112.48 1wfm s LEU 113 Ca 0.48 -1.18 0.09 0.00 -1.03 0.00 0.00 54.13 52.49 1wfm s LEU 113 Cb -0.14 1.61 -0.04 0.00 0.03 0.00 0.00 46.19 47.65 1wfm s LEU 113 CO 0.19 -1.21 -0.19 -0.83 0.23 0.00 0.00 176.35 174.55 1wfm s GLY 114 N -3.11 1.41 -0.07 -3.19 0.00 -1.26 -2.81 107.32 98.29 1wfm s GLY 114 Ca 0.26 -1.48 0.09 0.00 0.00 0.00 0.00 44.72 43.59 1wfm s GLY 114 CO 0.13 -1.53 0.09 1.04 0.00 0.00 0.00 173.10 172.84 1wfm n LEU 115 N 0.35 0.00 -0.00 0.66 7.99 -1.26 -4.45 117.00 120.28 1wfm n LEU 115 Ca -0.14 0.00 0.23 0.00 -0.01 0.00 0.00 56.01 56.10 1wfm n LEU 115 Cb 0.57 0.16 0.70 0.00 -0.11 0.00 0.00 43.42 44.73 1wfm n LEU 115 CO 0.29 0.16 1.21 -2.24 -1.51 0.00 0.00 177.39 175.29 1wfm h ASP 116 N 0.00 0.00 -0.07 -1.43 2.03 -1.80 -3.45 116.42 111.70 1wfm h ASP 116 Ca -0.17 0.00 0.00 0.00 -0.73 0.00 0.00 57.03 56.13 1wfm h ASP 116 Cb 1.22 0.00 0.00 0.00 -0.83 0.00 0.00 39.33 39.72 1wfm h ASP 116 CO 0.01 0.00 0.00 0.61 -1.03 0.00 0.00 179.24 178.83 1wfm n GLY 117 N -1.56 0.83 0.00 7.15 0.00 -1.26 -4.92 105.19 105.42 1wfm n GLY 117 Ca 0.12 -0.03 0.00 0.00 0.00 0.00 0.00 46.02 46.11 1wfm n GLY 117 CO 0.00 0.00 0.00 2.41 0.00 0.00 0.00 173.32 175.73 1wfm n THR 118 N -0.11 0.00 -0.35 2.61 -1.04 -1.26 -4.78 114.28 109.35 1wfm n THR 118 Ca 0.00 0.00 0.04 0.00 -2.04 0.00 0.00 64.05 62.05 1wfm n THR 118 Cb 0.03 -0.29 0.10 0.00 -1.82 0.00 0.00 70.33 68.35 1wfm n THR 118 CO 0.00 0.00 0.00 -1.20 -0.64 0.00 0.00 175.07 173.23 1wfm n SER 119 N -0.57 -0.42 -3.86 8.00 7.64 -1.26 -4.34 113.62 118.81 1wfm n SER 119 Ca 0.00 1.63 -0.14 0.00 1.01 0.00 0.00 58.87 61.37 1wfm n SER 119 Cb 0.00 -0.46 -0.15 0.00 -1.01 0.00 0.00 64.21 62.60 1wfm n SER 119 CO 0.00 0.00 0.00 0.54 -3.01 0.00 0.00 175.04 172.57 1wfm s VAL 120 N -6.10 0.10 0.94 0.44 0.11 -1.26 -4.97 120.40 109.67 1wfm s VAL 120 Ca -0.14 0.01 -0.13 0.00 -2.93 0.00 0.00 61.98 58.79 1wfm s VAL 120 Cb 0.24 -0.14 0.16 0.00 -1.53 0.00 0.00 36.38 35.10 1wfm s VAL 120 CO 0.72 0.07 1.15 -2.16 -3.33 0.00 0.00 175.10 171.55 1wfm s PRO 121 N 0.37 0.87 0.24 1.54 0.04 -1.26 -4.42 135.00 132.38 1wfm s PRO 121 Ca -0.03 0.19 -0.01 0.00 0.04 0.00 0.00 61.00 61.19 1wfm s PRO 121 Cb -0.05 -1.82 -0.04 0.00 0.04 0.00 0.00 34.50 32.63 1wfm s PRO 121 CO -0.01 -2.36 0.44 -0.51 0.04 0.00 0.00 177.00 174.60 1wfm s LEU 122 N -6.11 4.17 -1.17 -3.56 1.43 -1.26 -4.10 118.68 108.07 1wfm s LEU 122 Ca 0.65 0.44 0.00 0.00 -1.03 0.00 0.00 54.13 54.20 1wfm s LEU 122 Cb -0.13 -3.24 0.00 0.00 0.03 0.00 0.00 46.19 42.85 1wfm s LEU 122 CO 0.54 -0.11 0.00 0.61 0.23 0.00 0.00 176.35 177.61 1wfm n GLY 123 N -0.93 1.05 2.90 -3.19 0.00 0.54 -4.91 105.19 100.65 1wfm n GLY 123 Ca -0.04 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 -1.91 2.31 0.39 4.61 0.00 -1.26 -5.00 121.76 120.90 1wfm s ALA 124 Ca 0.00 -2.13 -0.26 0.00 0.00 0.00 0.00 51.96 49.57 1wfm s ALA 124 Cb 0.00 -1.80 -0.09 0.00 0.00 0.00 0.00 23.12 21.23 1wfm s ALA 124 CO 0.00 -1.65 1.30 0.00 0.00 0.00 0.00 175.76 175.40 1wfm s ALA 125 N 1.21 3.30 0.03 0.00 0.00 -1.26 -4.50 121.76 120.54 1wfm s ALA 125 Ca 0.09 1.22 0.01 0.00 0.00 0.00 0.00 51.96 53.28 1wfm s ALA 125 Cb -0.18 -3.48 -0.02 0.00 0.00 0.00 0.00 23.12 19.43 1wfm s ALA 125 CO -0.15 -0.77 -0.05 -0.65 0.00 0.00 0.00 175.76 174.14 1wfm s GLN 126 N -2.16 0.42 -0.98 0.00 -1.52 -1.12 -5.01 119.66 109.29 1wfm s GLN 126 Ca 0.55 -0.73 -0.12 0.00 -1.95 0.00 0.00 55.36 53.11 1wfm s GLN 126 Cb -0.38 -0.02 0.25 0.00 -0.22 0.00 0.00 33.01 32.64 1wfm s GLN 126 CO 0.49 -0.02 0.96 -1.58 -0.25 0.00 0.00 175.29 174.89 1wfm s TRP 127 N -1.71 4.00 0.76 0.91 0.52 -1.26 -2.91 118.94 119.25 1wfm s TRP 127 Ca -0.11 -2.33 -0.12 0.00 0.02 0.00 0.00 56.10 53.56 1wfm s TRP 127 Cb -0.08 -3.85 0.05 0.00 -1.15 0.00 0.00 33.47 28.44 1wfm s TRP 127 CO -0.01 -0.99 1.11 0.20 0.02 0.00 0.00 176.95 177.28 1wfm s GLY 128 N 1.78 1.62 -0.12 0.98 0.00 -1.02 -4.85 107.32 105.71 1wfm s GLY 128 Ca 0.25 -0.38 0.00 0.00 0.00 0.00 0.00 44.72 44.60 1wfm s GLY 128 CO -0.08 0.04 -0.14 -0.54 0.00 0.00 0.00 173.10 172.38 1wfm s GLU 129 N -5.35 3.31 0.18 2.90 2.02 -1.26 -0.49 118.70 120.01 1wfm s GLU 129 Ca 0.60 -0.69 -0.31 0.00 0.02 0.00 0.00 54.97 54.59 1wfm s GLU 129 Cb -0.12 -2.60 -0.10 0.00 0.10 0.00 0.00 34.13 31.41 1wfm s GLU 129 CO 0.52 0.25 1.49 -0.51 0.02 0.00 0.00 175.26 177.02 1wfm s LEU 130 N 0.26 4.38 -1.12 1.80 1.43 0.93 -4.78 118.68 121.59 1wfm s LEU 130 Ca -0.09 2.57 -0.03 0.00 -1.03 0.00 0.00 54.13 55.54 1wfm s LEU 130 Cb -0.16 -3.60 0.20 0.00 0.03 0.00 0.00 46.19 42.66 1wfm s LEU 130 CO 0.05 -0.75 2.20 0.29 0.23 0.00 0.00 176.35 178.38 1wfm n LYS 131 N 3.43 4.62 -0.17 1.70 4.76 0.51 -4.62 118.16 128.39 1wfm n LYS 131 Ca 0.11 -3.81 -0.04 0.00 -2.87 0.00 0.00 58.31 51.70 1wfm n LYS 131 Cb 0.40 -2.51 -0.04 0.00 -1.84 0.00 0.00 35.03 31.04 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 0.88 -0.27 -3.46 -0.18 -2.24 -1.26 -2.88 114.28 104.86 1wfm n THR 132 Ca 0.55 1.67 -0.43 0.00 -2.27 0.00 0.00 64.05 63.57 1wfm n THR 132 Cb 0.28 -2.13 -0.05 0.00 -2.10 0.00 0.00 70.33 66.33 1wfm n THR 132 CO 0.00 0.00 0.00 -0.55 -0.57 0.00 0.00 175.07 173.95 1wfm s SER 133 N -4.12 6.24 0.12 3.42 0.15 -1.26 -4.76 113.70 113.49 1wfm s SER 133 Ca -0.05 -2.75 -0.26 0.00 0.70 0.00 0.00 55.95 53.59 1wfm s SER 133 Cb 0.04 -2.09 0.07 0.00 -1.71 0.00 0.00 66.02 62.34 1wfm s SER 133 CO 0.25 -0.50 1.01 -0.83 1.20 0.00 0.00 173.24 174.36 1wfm s GLY 134 N 1.65 -0.27 -0.91 9.45 0.00 -1.14 -5.03 107.32 111.07 1wfm s GLY 134 Ca 0.18 0.26 -0.07 0.00 0.00 0.00 0.00 44.72 45.09 1wfm s GLY 134 CO -0.07 0.04 2.58 -1.55 0.00 0.00 0.00 173.10 174.10 1wfm n PRO 135 N -0.46 2.46 -3.83 2.90 -0.04 -1.26 -4.74 135.00 130.02 1wfm n PRO 135 Ca -0.06 -1.51 -0.28 0.00 -0.04 0.00 0.00 63.50 61.60 1wfm n PRO 135 Cb 0.61 -2.41 -0.16 0.00 -0.04 0.00 0.00 33.50 31.49 1wfm n PRO 135 CO 0.00 0.00 0.00 -1.12 -0.04 0.00 0.00 175.50 174.34 1wfm s SER 136 N 2.71 3.18 -0.28 3.54 0.01 -1.26 -5.09 113.70 116.52 1wfm s SER 136 Ca 0.52 -0.89 -0.05 0.00 1.31 0.00 0.00 55.95 56.83 1wfm s SER 136 Cb 0.16 -0.85 0.14 0.00 0.21 0.00 0.00 66.02 65.69 1wfm s SER 136 CO -0.03 -0.26 0.56 -0.55 0.41 0.00 0.00 173.24 173.37 1wfm s SER 137 N 1.66 -0.89 0.00 2.44 0.15 -1.26 -4.81 113.70 110.99 1wfm s SER 137 Ca -0.02 1.07 0.25 0.00 0.70 0.00 0.00 55.95 57.95 1wfm s SER 137 Cb -0.17 1.94 1.50 0.00 -1.71 0.00 0.00 66.02 67.58 1wfm s SER 137 CO -0.07 -0.25 1.86 0.61 1.20 0.00 0.00 173.24 176.60