#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 -7.22 -1.43 1.61 7.64 -1.26 -5.00 113.62 107.96 1wfm n SER 2 Ca 0.00 0.81 0.00 0.00 1.01 0.00 0.00 58.87 60.69 1wfm n SER 2 Cb 0.00 -4.12 -0.00 0.00 -1.01 0.00 0.00 64.21 59.08 1wfm n SER 2 CO 0.00 0.00 0.00 -1.20 -3.01 0.00 0.00 175.04 170.83 1wfm n SER 3 N -4.30 -7.70 0.02 6.43 7.64 -1.26 -5.04 113.62 109.42 1wfm n SER 3 Ca -0.03 1.71 0.00 0.00 1.01 0.00 0.00 58.87 61.56 1wfm n SER 3 Cb 0.65 -4.53 0.00 0.00 -1.01 0.00 0.00 64.21 59.33 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 -2.51 -0.13 1.21 0.23 0.00 -1.26 -5.16 105.19 97.57 1wfm n GLY 4 Ca -0.00 0.00 0.16 0.00 0.00 0.00 0.00 46.02 46.18 1wfm n GLY 4 CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76 1wfm n SER 5 N -2.68 -7.26 -1.15 1.61 7.64 -1.26 -4.87 113.62 105.65 1wfm n SER 5 Ca 0.00 0.72 0.00 0.00 1.01 0.00 0.00 58.87 60.60 1wfm n SER 5 Cb 0.00 -3.83 0.00 0.00 -1.01 0.00 0.00 64.21 59.37 1wfm n SER 5 CO 0.00 0.00 0.00 -1.20 -3.01 0.00 0.00 175.04 170.83 1wfm n SER 6 N -3.91 -6.26 0.00 6.43 7.64 -1.26 -4.49 113.62 111.77 1wfm n SER 6 Ca -0.02 1.28 0.00 0.00 1.01 0.00 0.00 58.87 61.14 1wfm n SER 6 Cb 0.56 -3.40 0.00 0.00 -1.01 0.00 0.00 64.21 60.36 1wfm n SER 6 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 1wfm n GLY 7 N -2.03 4.76 2.00 0.23 0.00 -1.26 -4.68 105.19 104.21 1wfm n GLY 7 Ca 0.00 -1.71 0.00 0.00 0.00 0.00 0.00 46.02 44.31 1wfm n GLY 7 CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76 1wfm n SER 8 N 0.00 -0.15 -1.38 1.61 7.64 -1.26 -4.36 113.62 115.73 1wfm n SER 8 Ca 0.00 0.23 0.17 0.00 1.01 0.00 0.00 58.87 60.28 1wfm n SER 8 Cb 0.00 0.25 -0.09 0.00 -1.01 0.00 0.00 64.21 63.37 1wfm n SER 8 CO 0.00 0.00 0.00 0.79 -3.01 0.00 0.00 175.04 172.82 1wfm n TRP 9 N -2.94 -3.68 -1.02 1.43 7.02 -1.26 -3.42 117.44 113.56 1wfm n TRP 9 Ca 0.00 2.02 0.12 0.00 -1.02 0.00 0.00 57.50 58.62 1wfm n TRP 9 Cb 0.00 -3.35 -0.04 0.00 -2.42 0.00 0.00 31.31 25.50 1wfm n TRP 9 CO 0.00 0.00 0.00 0.09 -2.02 0.00 0.00 177.69 175.76 1wfm n ASN 10 N -4.24 -5.61 -4.59 -0.99 3.02 -1.26 -4.49 115.26 97.11 1wfm n ASN 10 Ca -0.08 0.51 -0.61 0.00 -0.03 0.00 0.00 54.58 54.37 1wfm n ASN 10 Cb 0.65 -3.29 -0.08 0.00 -0.61 0.00 0.00 39.78 36.45 1wfm n ASN 10 CO 0.00 0.00 0.00 1.67 -2.62 0.00 0.00 177.26 176.31 1wfm n GLN 11 N -3.19 0.09 -3.27 3.52 7.27 -1.26 -4.91 117.38 115.63 1wfm n GLN 11 Ca -0.01 0.03 -0.30 0.00 0.07 0.00 0.00 57.00 56.79 1wfm n GLN 11 Cb 0.61 -1.55 -0.04 0.00 2.41 0.00 0.00 30.24 31.68 1wfm n GLN 11 CO 0.00 0.00 0.00 0.00 0.07 0.00 0.00 177.06 177.13 1wfm s ALA 12 N 1.03 3.54 -0.19 1.69 0.00 -1.26 -4.89 121.76 121.68 1wfm s ALA 12 Ca 0.95 -0.37 -0.29 0.00 0.00 0.00 0.00 51.96 52.25 1wfm s ALA 12 Cb -1.32 -2.44 -0.01 0.00 0.00 0.00 0.00 23.12 19.35 1wfm s ALA 12 CO 0.64 0.29 1.29 -1.25 0.00 0.00 0.00 175.76 176.74 1wfm s PRO 13 N -3.33 4.16 0.03 0.00 0.04 -1.26 -4.77 135.00 129.86 1wfm s PRO 13 Ca 0.47 1.60 0.02 0.00 0.04 0.00 0.00 61.00 63.12 1wfm s PRO 13 Cb -0.11 -3.80 -0.04 0.00 0.04 0.00 0.00 34.50 30.59 1wfm s PRO 13 CO 0.27 -0.81 0.05 0.15 0.04 0.00 0.00 177.00 176.69 1wfm s LYS 14 N 3.68 2.88 -0.13 4.56 1.02 -0.51 0.10 119.74 131.35 1wfm s LYS 14 Ca 0.56 -0.61 -0.04 0.00 0.02 0.00 0.00 55.97 55.90 1wfm s LYS 14 Cb -0.21 -2.73 0.06 0.00 -0.52 0.00 0.00 37.83 34.42 1wfm s LYS 14 CO 0.17 0.61 0.15 -1.17 -0.92 0.00 0.00 175.35 174.19 1wfm s LEU 15 N -1.88 0.03 0.23 3.17 2.96 0.28 0.20 118.68 123.68 1wfm s LEU 15 Ca 0.24 -0.04 -0.20 0.00 -0.22 0.00 0.00 54.13 53.91 1wfm s LEU 15 Cb -0.12 0.13 -0.08 0.00 0.50 0.00 0.00 46.19 46.62 1wfm s LEU 15 CO 0.15 -0.29 0.74 -2.28 -1.32 0.00 0.00 176.35 173.35 1wfm s HIS 16 N 2.25 3.64 -0.25 5.38 5.65 -0.87 -3.14 115.29 127.95 1wfm s HIS 16 Ca 0.04 1.41 -0.25 0.00 0.25 0.00 0.00 55.06 56.51 1wfm s HIS 16 Cb -0.14 -2.64 0.07 0.00 -1.18 0.00 0.00 32.58 28.69 1wfm s HIS 16 CO -0.08 0.32 0.71 1.52 -0.65 0.00 0.00 174.74 176.56 1wfm s TYR 17 N -1.55 -0.78 -0.32 3.88 -0.85 -0.92 -3.10 117.35 113.72 1wfm s TYR 17 Ca 0.44 1.86 -0.04 0.00 -0.52 0.00 0.00 57.07 58.82 1wfm s TYR 17 Cb -0.16 0.28 0.05 0.00 0.38 0.00 0.00 41.96 42.50 1wfm s TYR 17 CO 0.21 -0.39 0.04 0.00 -1.52 0.00 0.00 175.55 173.89 1wfm s LEU 19 N 1.32 4.20 -0.23 0.00 2.01 -1.25 -1.45 118.68 123.28 1wfm s LEU 19 Ca -0.04 1.20 -0.04 0.00 0.01 0.00 0.00 54.13 55.26 1wfm s LEU 19 Cb -0.20 -3.23 0.12 0.00 0.01 0.00 0.00 46.19 42.89 1wfm s LEU 19 CO 0.01 -0.35 0.41 -0.62 1.01 0.00 0.00 176.35 176.80 1wfm s ASP 20 N 1.10 -0.07 -0.35 2.29 -1.08 -0.69 0.20 116.67 118.08 1wfm s ASP 20 Ca 0.39 0.59 -0.15 0.00 -0.52 0.00 0.00 52.55 52.86 1wfm s ASP 20 Cb -0.17 1.28 -0.01 0.00 -1.46 0.00 0.00 42.92 42.56 1wfm s ASP 20 CO 0.14 -0.27 0.33 -0.47 0.52 0.00 0.00 175.17 175.42 1wfm s TYR 21 N 2.59 3.21 -1.00 -5.34 5.04 -1.26 -1.52 117.35 119.07 1wfm s TYR 21 Ca 0.07 -0.13 -0.16 0.00 -2.44 0.00 0.00 57.07 54.41 1wfm s TYR 21 Cb -0.14 -2.63 0.17 0.00 0.35 0.00 0.00 41.96 39.71 1wfm s TYR 21 CO -0.15 -0.44 1.14 0.34 -1.34 0.00 0.00 175.55 175.11 1wfm s ASP 22 N 1.73 6.84 0.41 4.32 -1.08 -1.17 -4.84 116.67 122.88 1wfm s ASP 22 Ca 0.10 -2.57 0.26 0.00 -0.52 0.00 0.00 52.55 49.83 1wfm s ASP 22 Cb -0.17 -2.35 1.37 0.00 -1.46 0.00 0.00 42.92 40.32 1wfm s ASP 22 CO 0.11 -0.82 1.61 0.00 0.52 0.00 0.00 175.17 176.60 1wfm h GLN 24 N 0.09 0.20 0.00 0.00 4.20 -1.97 -2.11 115.11 115.51 1wfm h GLN 24 Ca 0.82 -0.01 -0.18 0.00 0.06 0.00 0.00 58.65 59.34 1wfm h GLN 24 Cb 2.42 -0.05 -0.03 0.00 0.30 0.00 0.00 27.48 30.12 1wfm h GLN 24 CO -0.52 0.13 -1.30 0.87 -0.67 0.00 0.00 178.83 177.34 1wfm h LYS 25 N 0.21 0.00 -3.96 1.46 1.57 0.18 -3.48 116.57 112.56 1wfm h LYS 25 Ca 0.22 0.00 -0.25 0.00 -1.87 0.00 0.00 60.65 58.75 1wfm h LYS 25 Cb 0.28 0.00 0.08 0.00 0.08 0.00 0.00 32.23 32.67 1wfm h LYS 25 CO -0.29 0.39 -0.42 0.00 -0.57 0.00 0.00 179.45 178.55 1wfm n ALA 26 N -2.39 -0.80 -3.23 3.86 0.00 0.73 -4.95 120.51 113.73 1wfm n ALA 26 Ca -0.08 0.25 -0.13 0.00 0.00 0.00 0.00 53.44 53.48 1wfm n ALA 26 Cb 0.86 -3.58 -0.14 0.00 0.00 0.00 0.00 19.45 16.58 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 -5.79 0.01 0.31 0.00 2.02 -1.24 -1.25 118.70 112.77 1wfm s GLU 27 Ca 0.36 0.11 -0.27 0.00 0.02 0.00 0.00 54.97 55.19 1wfm s GLU 27 Cb -0.16 -0.08 -0.09 0.00 0.10 0.00 0.00 34.13 33.90 1wfm s GLU 27 CO 0.44 -0.07 1.00 -1.17 0.02 0.00 0.00 175.26 175.49 1wfm s LEU 28 N 0.43 4.41 0.03 1.80 1.98 0.77 -3.04 118.68 125.05 1wfm s LEU 28 Ca -0.03 2.00 0.07 0.00 -2.89 0.00 0.00 54.13 53.28 1wfm s LEU 28 Cb -0.05 -3.88 -0.02 0.00 0.66 0.00 0.00 46.19 42.90 1wfm s LEU 28 CO -0.01 -0.13 -0.21 -0.36 -1.89 0.00 0.00 176.35 173.74 1wfm s PHE 29 N -1.43 1.87 -0.50 5.38 0.40 -0.57 0.71 117.98 123.83 1wfm s PHE 29 Ca 0.49 -0.37 0.07 0.00 -0.60 0.00 0.00 56.93 56.52 1wfm s PHE 29 Cb -0.24 -1.14 0.25 0.00 0.51 0.00 0.00 43.02 42.40 1wfm s PHE 29 CO 0.30 0.06 0.62 0.28 0.70 0.00 0.00 175.22 177.18 1wfm n VAL 30 N 2.05 0.68 -0.54 -0.44 0.31 -1.06 -1.70 118.33 117.64 1wfm n VAL 30 Ca -0.17 -4.55 0.00 0.00 -0.01 0.00 0.00 64.34 59.61 1wfm n VAL 30 Cb 0.53 -2.02 0.00 0.00 -0.91 0.00 0.00 33.84 31.44 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 1.17 0.00 -3.74 2.52 -2.24 -0.53 -2.77 114.28 108.68 1wfm n THR 31 Ca 0.25 0.00 -0.34 0.00 -2.27 0.00 0.00 64.05 61.69 1wfm n THR 31 Cb 0.48 -1.91 0.04 0.00 -2.10 0.00 0.00 70.33 66.84 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 -0.59 -1.05 -3.17 -0.78 5.12 -1.26 0.12 116.66 115.05 1wfm n ARG 32 Ca 0.00 0.40 -0.40 0.00 -1.93 0.00 0.00 57.85 55.92 1wfm n ARG 32 Cb 0.00 -3.86 -0.07 0.00 -1.16 0.00 0.00 32.46 27.38 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 -6.60 4.08 -0.38 0.55 1.43 -1.25 -2.17 118.68 114.34 1wfm s LEU 33 Ca 0.48 0.56 0.04 0.00 -1.03 0.00 0.00 54.13 54.17 1wfm s LEU 33 Cb -0.18 -2.76 0.16 0.00 0.03 0.00 0.00 46.19 43.44 1wfm s LEU 33 CO 0.88 -0.36 0.40 -1.61 0.23 0.00 0.00 176.35 175.89 1wfm s GLU 34 N 2.44 0.66 0.21 1.70 8.01 -1.18 -2.72 118.70 127.82 1wfm s GLU 34 Ca 0.24 -0.82 -0.30 0.00 0.01 0.00 0.00 54.97 54.10 1wfm s GLU 34 Cb -0.15 -0.65 -0.09 0.00 -4.31 0.00 0.00 34.13 28.93 1wfm s GLU 34 CO 0.09 -1.20 1.22 0.00 0.01 0.00 0.00 175.26 175.39 1wfm s ALA 35 N 1.45 3.46 -0.72 5.21 0.00 -1.08 -2.06 121.76 128.02 1wfm s ALA 35 Ca 0.17 1.01 0.04 0.00 0.00 0.00 0.00 51.96 53.19 1wfm s ALA 35 Cb -0.14 -3.43 0.18 0.00 0.00 0.00 0.00 23.12 19.73 1wfm s ALA 35 CO -0.03 -0.41 0.53 0.28 0.00 0.00 0.00 175.76 176.13 1wfm n VAL 36 N 2.20 1.79 -4.90 0.00 0.31 0.53 -2.42 118.33 115.84 1wfm n VAL 36 Ca 0.04 -4.91 -0.28 0.00 -0.01 0.00 0.00 64.34 59.18 1wfm n VAL 36 Cb 0.44 -2.20 -0.17 0.00 -0.91 0.00 0.00 33.84 31.00 1wfm n VAL 36 CO 0.00 0.00 0.00 0.42 -1.32 0.00 0.00 176.83 175.93 1wfm s THR 37 N -1.50 1.58 0.63 2.52 -4.23 -1.25 -1.42 115.64 111.96 1wfm s THR 37 Ca 0.26 -0.75 -0.17 0.00 -1.18 0.00 0.00 61.69 59.85 1wfm s THR 37 Cb -0.04 -1.39 -0.14 0.00 1.34 0.00 0.00 72.50 72.27 1wfm s THR 37 CO -0.16 0.45 -0.33 -1.20 -0.54 0.00 0.00 174.62 172.84 1wfm n SER 38 N 3.57 -4.19 -0.01 3.99 7.64 -1.26 -4.13 113.62 119.23 1wfm n SER 38 Ca -0.20 0.47 -0.11 0.00 1.01 0.00 0.00 58.87 60.04 1wfm n SER 38 Cb 0.52 -0.77 -0.05 0.00 -1.01 0.00 0.00 64.21 62.91 1wfm n SER 38 CO 0.00 0.00 0.00 -1.13 -3.01 0.00 0.00 175.04 170.90 1wfm h ASN 39 N -0.31 -1.13 -3.90 6.43 -0.73 -1.91 -3.45 115.58 110.59 1wfm h ASN 39 Ca -0.40 0.16 0.09 0.00 1.87 0.00 0.00 56.30 58.02 1wfm h ASN 39 Cb 1.32 0.48 -0.05 0.00 0.27 0.00 0.00 38.32 40.34 1wfm h ASN 39 CO 0.34 -0.38 -0.38 1.41 -0.37 0.00 0.00 177.43 178.04 1wfm n HIS 40 N -5.42 -1.25 0.08 0.67 8.25 -1.26 -4.69 115.22 111.61 1wfm n HIS 40 Ca -0.03 0.69 -0.12 0.00 -0.26 0.00 0.00 57.72 58.00 1wfm n HIS 40 Cb 0.34 -1.19 -0.05 0.00 1.12 0.00 0.00 29.99 30.21 1wfm n HIS 40 CO 0.00 0.00 0.00 0.22 0.64 0.00 0.00 176.34 177.20 1wfm h ASP 41 N -0.34 0.37 -2.42 0.41 1.82 -2.04 -3.42 116.42 110.80 1wfm h ASP 41 Ca -0.05 -0.32 -0.53 0.00 -0.39 0.00 0.00 57.03 55.74 1wfm h ASP 41 Cb 0.41 -0.11 -0.05 0.00 0.68 0.00 0.00 39.33 40.26 1wfm h ASP 41 CO 0.02 1.15 1.23 -0.83 -1.61 0.00 0.00 179.24 179.20 1wfm s GLY 42 N -4.52 0.59 -0.52 -0.78 0.00 -1.26 -4.94 107.32 95.89 1wfm s GLY 42 Ca -0.04 -0.57 -0.09 0.00 0.00 0.00 0.00 44.72 44.03 1wfm s GLY 42 CO 0.85 3.12 0.40 -0.32 0.00 0.00 0.00 173.10 177.14 1wfm s GLY 43 N 6.14 2.15 0.10 0.20 0.00 -1.26 -5.02 107.32 109.63 1wfm s GLY 43 Ca 0.61 -2.70 0.02 0.00 0.00 0.00 0.00 44.72 42.65 1wfm s GLY 43 CO 0.24 1.12 0.06 0.00 0.00 0.00 0.00 173.10 174.52 1wfm s ASP 45 N -1.68 6.48 0.18 0.00 2.15 -1.26 -3.46 116.67 119.09 1wfm s ASP 45 Ca 0.08 0.31 0.09 0.00 0.43 0.00 0.00 52.55 53.46 1wfm s ASP 45 Cb 0.00 -2.34 -0.04 0.00 -0.30 0.00 0.00 42.92 40.24 1wfm s ASP 45 CO 0.06 -0.58 -0.08 0.00 -0.17 0.00 0.00 175.17 174.40 1wfm s TYR 47 N -1.75 -0.16 0.02 0.00 1.13 -1.14 -2.06 117.35 113.39 1wfm s TYR 47 Ca 0.26 -0.12 -0.16 0.00 -1.41 0.00 0.00 57.07 55.64 1wfm s TYR 47 Cb -0.09 0.20 -0.06 0.00 -1.10 0.00 0.00 41.96 40.92 1wfm s TYR 47 CO 0.16 -0.65 0.45 0.08 -2.51 0.00 0.00 175.55 173.08 1wfm s VAL 48 N -3.53 4.95 -0.06 -3.49 1.01 -1.26 -3.05 120.40 114.97 1wfm s VAL 48 Ca 0.01 0.95 -0.00 0.00 0.00 0.00 0.00 61.98 62.94 1wfm s VAL 48 Cb 0.02 -3.77 0.03 0.00 0.00 0.00 0.00 36.38 32.66 1wfm s VAL 48 CO -0.10 0.56 -0.02 -1.58 0.00 0.00 0.00 175.10 173.96 1wfm s GLN 49 N -1.02 0.74 -0.08 2.72 0.74 0.42 -2.14 119.66 121.05 1wfm s GLN 49 Ca 0.25 0.01 0.03 0.00 0.05 0.00 0.00 55.36 55.70 1wfm s GLN 49 Cb -0.17 -0.96 -0.02 0.00 1.10 0.00 0.00 33.01 32.96 1wfm s GLN 49 CO 0.15 -0.22 -0.16 0.20 -0.55 0.00 0.00 175.29 174.71 1wfm s GLY 50 N 1.56 1.48 0.07 2.59 0.00 0.24 0.20 107.32 113.47 1wfm s GLY 50 Ca -0.01 -0.97 0.07 0.00 0.00 0.00 0.00 44.72 43.82 1wfm s GLY 50 CO -0.04 -0.56 -0.20 -0.45 0.00 0.00 0.00 173.10 171.86 1wfm s SER 51 N -0.27 2.35 0.12 1.64 0.15 -0.34 0.15 113.70 117.50 1wfm s SER 51 Ca 0.01 -0.59 0.07 0.00 0.70 0.00 0.00 55.95 56.14 1wfm s SER 51 Cb -0.13 -0.15 -0.04 0.00 -1.71 0.00 0.00 66.02 63.99 1wfm s SER 51 CO 0.03 0.09 -0.17 -0.69 1.20 0.00 0.00 173.24 173.69 1wfm s VAL 52 N -0.99 1.50 -0.19 4.45 1.01 -0.18 0.04 120.40 126.04 1wfm s VAL 52 Ca 0.06 -1.63 -0.01 0.00 0.00 0.00 0.00 61.98 60.40 1wfm s VAL 52 Cb -0.09 -1.51 0.05 0.00 0.00 0.00 0.00 36.38 34.83 1wfm s VAL 52 CO 0.03 -0.25 -0.01 0.00 0.00 0.00 0.00 175.10 174.86 1wfm s ALA 53 N -1.66 1.35 0.52 5.51 0.00 -1.07 -0.11 121.76 126.30 1wfm s ALA 53 Ca 0.07 -0.85 0.05 0.00 0.00 0.00 0.00 51.96 51.23 1wfm s ALA 53 Cb -0.08 -1.20 0.05 0.00 0.00 0.00 0.00 23.12 21.90 1wfm s ALA 53 CO 0.04 -1.02 0.41 0.27 0.00 0.00 0.00 175.76 175.46 1wfm n ASN 54 N 4.92 2.63 0.00 0.00 0.23 0.45 -3.18 115.26 120.31 1wfm n ASN 54 Ca -0.10 -2.78 0.08 0.00 -0.53 0.00 0.00 54.58 51.25 1wfm n ASN 54 Cb 0.47 -0.06 0.49 0.00 -2.08 0.00 0.00 39.78 38.60 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 -1.75 1.00 -0.01 -3.83 1.74 -1.26 -2.80 116.66 109.75 1wfm n ARG 55 Ca -0.01 0.00 0.02 0.00 -0.77 0.00 0.00 57.85 57.09 1wfm n ARG 55 Cb 0.59 -1.26 -0.06 0.00 -1.02 0.00 0.00 32.46 30.72 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 -0.76 0.10 0.00 0.55 -2.24 -1.26 -5.11 114.28 105.56 1wfm n THR 56 Ca 0.12 -0.20 0.00 0.00 -2.27 0.00 0.00 64.05 61.70 1wfm n THR 56 Cb 0.06 0.10 0.00 0.00 -2.10 0.00 0.00 70.33 68.38 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 2.17 -0.54 3.49 3.38 0.00 -1.12 -5.16 105.19 107.40 1wfm n GLY 57 Ca -0.03 -0.08 -0.10 0.00 0.00 0.00 0.00 46.02 45.81 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 -0.26 0.23 1.61 1.04 -1.26 -0.41 113.70 110.64 1wfm s SER 58 Ca 0.00 -0.45 0.00 0.00 0.48 0.00 0.00 55.95 55.98 1wfm s SER 58 Cb 0.00 0.57 -0.04 0.00 0.10 0.00 0.00 66.02 66.64 1wfm s SER 58 CO 0.00 -1.02 0.13 0.68 0.98 0.00 0.00 173.24 174.01 1wfm s VAL 59 N -3.86 0.16 -0.20 5.02 -7.23 0.84 -4.94 120.40 110.18 1wfm s VAL 59 Ca 0.08 -2.00 -0.17 0.00 -1.81 0.00 0.00 61.98 58.08 1wfm s VAL 59 Cb -0.01 -2.53 0.05 0.00 0.56 0.00 0.00 36.38 34.45 1wfm s VAL 59 CO -0.04 0.00 0.52 -1.61 -0.31 0.00 0.00 175.10 173.66 1wfm s GLU 60 N -4.06 0.60 0.16 4.82 2.02 -1.26 -1.01 118.70 119.98 1wfm s GLU 60 Ca 0.39 0.76 -0.02 0.00 0.02 0.00 0.00 54.97 56.11 1wfm s GLU 60 Cb 0.07 0.27 -0.03 0.00 0.10 0.00 0.00 34.13 34.53 1wfm s GLU 60 CO 0.14 -0.08 0.12 0.00 0.02 0.00 0.00 175.26 175.46 1wfm s ALA 61 N 0.43 0.81 0.28 5.21 0.00 0.39 -4.97 121.76 123.92 1wfm s ALA 61 Ca -0.01 -1.45 -0.20 0.00 0.00 0.00 0.00 51.96 50.30 1wfm s ALA 61 Cb -0.04 1.04 0.06 0.00 0.00 0.00 0.00 23.12 24.17 1wfm s ALA 61 CO -0.01 -0.55 0.88 1.14 0.00 0.00 0.00 175.76 177.21 1wfm s GLN 62 N -4.07 1.76 0.54 0.00 1.03 -1.26 0.83 119.66 118.50 1wfm s GLN 62 Ca 0.28 -1.10 0.03 0.00 0.04 0.00 0.00 55.36 54.61 1wfm s GLN 62 Cb 0.06 0.52 0.02 0.00 0.03 0.00 0.00 33.01 33.65 1wfm s GLN 62 CO 0.05 -0.82 0.22 0.95 -2.54 0.00 0.00 175.29 173.15 1wfm s THR 63 N -2.61 1.32 0.20 3.63 -4.23 -0.91 -4.81 115.64 108.23 1wfm s THR 63 Ca 0.16 -1.73 -0.30 0.00 -1.18 0.00 0.00 61.69 58.65 1wfm s THR 63 Cb -0.04 -2.05 -0.08 0.00 1.34 0.00 0.00 72.50 71.67 1wfm s THR 63 CO 0.08 0.00 1.14 0.00 -0.54 0.00 0.00 174.62 175.30 1wfm s ALA 64 N -2.85 3.41 0.51 3.99 0.00 -1.26 -4.70 121.76 120.86 1wfm s ALA 64 Ca 0.18 0.89 -0.20 0.00 0.00 0.00 0.00 51.96 52.83 1wfm s ALA 64 Cb -0.01 -3.38 -0.09 0.00 0.00 0.00 0.00 23.12 19.64 1wfm s ALA 64 CO 0.11 -0.28 0.73 1.28 0.00 0.00 0.00 175.76 177.61 1wfm n LEU 65 N 2.20 1.64 -4.06 0.00 7.99 -1.26 -4.90 117.00 118.61 1wfm n LEU 65 Ca 0.03 0.86 -0.08 0.00 -0.01 0.00 0.00 56.01 56.80 1wfm n LEU 65 Cb 0.45 -1.25 -0.10 0.00 -0.11 0.00 0.00 43.42 42.41 1wfm n LEU 65 CO 0.55 -2.40 -0.36 -0.54 -1.51 0.00 0.00 177.39 173.12 1wfm s LYS 66 N -2.10 0.53 -0.18 3.23 -0.14 -0.87 -4.99 119.74 115.22 1wfm s LYS 66 Ca 0.68 -1.02 -0.29 0.00 -1.36 0.00 0.00 55.97 53.97 1wfm s LYS 66 Cb -0.50 0.13 -0.02 0.00 -1.68 0.00 0.00 37.83 35.77 1wfm s LYS 66 CO 0.54 -0.08 1.37 0.21 -0.76 0.00 0.00 175.35 176.63 1wfm s LYS 67 N -3.07 4.12 -0.00 1.68 2.20 -1.26 -2.92 119.74 120.49 1wfm s LYS 67 Ca -0.00 1.67 -0.40 0.00 -0.36 0.00 0.00 55.97 56.88 1wfm s LYS 67 Cb 0.02 -3.85 -0.19 0.00 -1.51 0.00 0.00 37.83 32.29 1wfm s LYS 67 CO -0.06 -0.86 1.13 -2.13 -0.36 0.00 0.00 175.35 173.06 1wfm n ARG 68 N 6.92 0.19 -3.97 4.03 0.63 -1.22 -4.89 116.66 118.35 1wfm n ARG 68 Ca 0.15 0.07 -0.09 0.00 -0.92 0.00 0.00 57.85 57.06 1wfm n ARG 68 Cb 0.45 -1.59 -0.07 0.00 0.45 0.00 0.00 32.46 31.69 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 0.18 1.09 0.42 -0.14 -1.52 -1.26 -5.01 119.66 113.41 1wfm s GLN 69 Ca 0.90 -1.17 0.29 0.00 -1.95 0.00 0.00 55.36 53.43 1wfm s GLN 69 Cb -1.22 0.36 1.44 0.00 -0.22 0.00 0.00 33.01 33.37 1wfm s GLN 69 CO 0.56 -0.38 1.89 1.25 -0.25 0.00 0.00 175.29 178.35 1wfm h LEU 70 N 2.61 0.00 -5.00 2.90 6.46 -1.86 -3.33 115.31 117.08 1wfm h LEU 70 Ca -0.32 0.00 -0.14 0.00 -0.12 0.00 0.00 57.88 57.30 1wfm h LEU 70 Cb 1.22 0.00 -0.16 0.00 -0.73 0.00 0.00 40.66 40.99 1wfm h LEU 70 CO 0.51 0.00 -0.45 1.57 -0.62 0.00 0.00 178.44 179.45 1wfm n HIS 71 N -2.57 -3.44 -2.29 1.25 -0.00 -1.26 -3.78 115.22 103.13 1wfm n HIS 71 Ca -0.01 -1.32 -0.33 0.00 0.46 0.00 0.00 57.72 56.52 1wfm n HIS 71 Cb 0.13 1.45 -0.01 0.00 -0.12 0.00 0.00 29.99 31.44 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 0.85 3.87 0.03 3.57 2.01 -1.02 -4.92 115.64 120.04 1wfm s THR 72 Ca 0.30 1.00 -0.01 0.00 0.31 0.00 0.00 61.69 63.29 1wfm s THR 72 Cb 0.04 -3.44 -0.03 0.00 0.01 0.00 0.00 72.50 69.08 1wfm s THR 72 CO -0.08 -0.41 -0.03 0.42 -0.69 0.00 0.00 174.62 173.84 1wfm s THR 73 N -2.27 0.16 0.13 -0.82 -4.23 -1.26 -2.65 115.64 104.71 1wfm s THR 73 Ca 0.65 -1.35 0.09 0.00 -1.18 0.00 0.00 61.69 59.89 1wfm s THR 73 Cb -0.16 -0.89 -0.04 0.00 1.34 0.00 0.00 72.50 72.76 1wfm s THR 73 CO 0.29 -0.74 -0.21 0.26 -0.54 0.00 0.00 174.62 173.68 1wfm s TRP 74 N -2.68 1.85 -0.53 3.99 0.51 -1.10 -5.03 118.94 115.96 1wfm s TRP 74 Ca -0.05 -0.43 0.01 0.00 -2.12 0.00 0.00 56.10 53.52 1wfm s TRP 74 Cb -0.01 -0.98 0.54 0.00 -0.81 0.00 0.00 33.47 32.21 1wfm s TRP 74 CO -0.05 0.26 1.95 -1.91 -0.51 0.00 0.00 176.95 176.69 1wfm n GLU 75 N 0.80 2.38 -2.50 4.98 2.13 -1.26 -4.67 120.64 122.51 1wfm n GLU 75 Ca -0.17 -2.99 -0.03 0.00 0.66 0.00 0.00 57.16 54.63 1wfm n GLU 75 Cb 0.55 -2.17 0.01 0.00 0.27 0.00 0.00 31.44 30.10 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 -0.95 0.41 -4.10 5.31 0.28 -1.26 -5.15 120.64 115.19 1wfm n GLU 76 Ca 0.58 -0.87 -0.10 0.00 -0.16 0.00 0.00 57.16 56.62 1wfm n GLU 76 Cb 1.18 1.13 -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 -2.36 0.87 0.86 -1.84 0.00 -1.26 -4.33 107.32 99.25 1wfm s GLY 77 Ca 0.10 -1.31 -0.12 0.00 0.00 0.00 0.00 44.72 43.39 1wfm s GLY 77 CO 0.04 -1.20 1.15 1.08 0.00 0.00 0.00 173.10 174.17 1wfm s LEU 78 N -3.03 2.27 -0.26 0.66 1.43 -1.12 -4.83 118.68 113.81 1wfm s LEU 78 Ca 0.23 0.90 -0.03 0.00 -1.03 0.00 0.00 54.13 54.21 1wfm s LEU 78 Cb 0.06 -3.32 0.15 0.00 0.03 0.00 0.00 46.19 43.10 1wfm s LEU 78 CO 0.02 -2.21 0.44 -0.69 0.23 0.00 0.00 176.35 174.14 1wfm s VAL 79 N -3.41 -0.71 -0.11 -1.59 1.01 -1.25 -2.55 120.40 111.79 1wfm s VAL 79 Ca 0.63 -0.04 0.01 0.00 0.00 0.00 0.00 61.98 62.58 1wfm s VAL 79 Cb -0.13 -0.86 -0.01 0.00 0.00 0.00 0.00 36.38 35.38 1wfm s VAL 79 CO 0.51 -0.08 -0.16 -0.76 0.00 0.00 0.00 175.10 174.61 1wfm s LEU 80 N 2.63 2.54 -0.10 3.92 2.01 0.22 -4.75 118.68 125.16 1wfm s LEU 80 Ca 0.14 -0.38 -0.30 0.00 0.01 0.00 0.00 54.13 53.60 1wfm s LEU 80 Cb -0.15 -1.55 -0.03 0.00 0.01 0.00 0.00 46.19 44.47 1wfm s LEU 80 CO -0.17 0.18 1.24 -2.16 1.01 0.00 0.00 176.35 176.45 1wfm s PRO 81 N 0.23 4.30 -0.08 1.29 0.04 -1.26 0.27 135.00 139.79 1wfm s PRO 81 Ca -0.10 1.69 -0.16 0.00 0.04 0.00 0.00 61.00 62.47 1wfm s PRO 81 Cb -0.16 -3.64 0.03 0.00 0.04 0.00 0.00 34.50 30.77 1wfm s PRO 81 CO 0.06 -0.56 0.38 -1.17 0.04 0.00 0.00 177.00 175.75 1wfm s LEU 82 N 2.74 0.56 0.00 -3.56 2.96 -0.38 -4.87 118.68 116.13 1wfm s LEU 82 Ca 0.56 0.46 -0.16 0.00 -0.22 0.00 0.00 54.13 54.78 1wfm s LEU 82 Cb -0.24 1.42 -0.06 0.00 0.50 0.00 0.00 46.19 47.81 1wfm s LEU 82 CO 0.19 -0.32 0.43 0.00 -1.32 0.00 0.00 176.35 175.34 1wfm s ALA 83 N -0.62 3.67 0.64 5.97 0.00 -1.26 -3.85 121.76 126.31 1wfm s ALA 83 Ca -0.07 -0.18 0.29 0.00 0.00 0.00 0.00 51.96 52.00 1wfm s ALA 83 Cb -0.04 -2.44 1.60 0.00 0.00 0.00 0.00 23.12 22.25 1wfm s ALA 83 CO 0.03 0.44 1.90 1.49 0.00 0.00 0.00 175.76 179.62 1wfm h GLU 84 N 4.81 0.00 0.00 0.00 4.81 -1.94 1.60 114.58 123.86 1wfm h GLU 84 Ca -0.51 0.00 0.00 0.00 -0.13 0.00 0.00 59.36 58.72 1wfm h GLU 84 Cb 1.22 0.00 0.00 0.00 0.63 0.00 0.00 28.75 30.60 1wfm h GLU 84 CO 0.63 0.00 -0.44 1.05 -0.73 0.00 0.00 179.01 179.52 1wfm h GLU 85 N 0.00 0.00 -0.50 1.92 4.11 -2.02 -3.21 114.58 114.87 1wfm h GLU 85 Ca 0.00 0.00 0.00 0.00 0.07 0.00 0.00 59.36 59.43 1wfm h GLU 85 Cb 0.66 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.91 1wfm h GLU 85 CO 0.00 0.00 0.00 0.39 0.07 0.00 0.00 179.01 179.47 1wfm n GLU 86 N -2.55 2.96 0.06 1.06 1.02 0.54 -4.50 120.64 119.22 1wfm n GLU 86 Ca 0.03 -2.42 -0.13 0.00 -0.02 0.00 0.00 57.16 54.62 1wfm n GLU 86 Cb 0.49 -1.49 -0.08 0.00 -0.02 0.00 0.00 31.44 30.33 1wfm n GLU 86 CO 0.00 0.00 0.00 -0.07 1.18 0.00 0.00 177.13 178.24 1wfm h LEU 87 N 2.98 -0.11 -0.10 -4.62 3.38 -1.33 0.21 115.31 115.73 1wfm h LEU 87 Ca 0.00 -0.22 0.00 0.00 0.09 0.00 0.00 57.88 57.75 1wfm h LEU 87 Cb 0.97 0.03 0.00 0.00 0.09 0.00 0.00 40.66 41.75 1wfm h LEU 87 CO 0.05 0.16 0.00 -0.81 0.09 0.00 0.00 178.44 177.93 1wfm n PRO 88 N -5.03 0.06 -0.96 1.13 -0.04 -1.26 -2.72 135.00 126.19 1wfm n PRO 88 Ca -0.08 0.18 -0.04 0.00 -0.04 0.00 0.00 63.50 63.51 1wfm n PRO 88 Cb 0.17 -1.59 0.17 0.00 -0.04 0.00 0.00 33.50 32.21 1wfm n PRO 88 CO 0.00 0.00 0.00 0.25 -0.04 0.00 0.00 175.50 175.71 1wfm n THR 89 N -1.71 2.44 -4.03 0.52 -2.24 -0.99 -4.95 114.28 103.33 1wfm n THR 89 Ca 0.05 -3.25 -0.09 0.00 -2.27 0.00 0.00 64.05 58.48 1wfm n THR 89 Cb 0.28 -0.46 -0.09 0.00 -2.10 0.00 0.00 70.33 67.96 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 -3.33 0.33 -0.14 6.98 0.00 0.03 -4.13 121.76 121.50 1wfm s ALA 90 Ca 0.44 -1.09 -0.13 0.00 0.00 0.00 0.00 51.96 51.18 1wfm s ALA 90 Cb 0.40 0.70 0.04 0.00 0.00 0.00 0.00 23.12 24.26 1wfm s ALA 90 CO -0.03 -0.52 0.38 0.99 0.00 0.00 0.00 175.76 176.58 1wfm s THR 91 N -3.97 -0.00 -0.25 0.00 2.01 -1.19 -4.42 115.64 107.81 1wfm s THR 91 Ca 0.16 0.00 -0.10 0.00 0.31 0.00 0.00 61.69 62.06 1wfm s THR 91 Cb 0.06 -0.53 -0.05 0.00 0.01 0.00 0.00 72.50 71.99 1wfm s THR 91 CO -0.03 0.00 0.16 -0.22 -0.69 0.00 0.00 174.62 173.84 1wfm s LEU 92 N 0.25 3.98 -0.31 4.42 1.98 -0.93 -2.59 118.68 125.48 1wfm s LEU 92 Ca -0.00 0.03 -0.00 0.00 -2.89 0.00 0.00 54.13 51.26 1wfm s LEU 92 Cb -0.03 -2.08 0.06 0.00 0.66 0.00 0.00 46.19 44.80 1wfm s LEU 92 CO 0.00 0.02 0.00 -0.89 -1.89 0.00 0.00 176.35 173.59 1wfm s THR 93 N 1.34 2.78 0.39 3.68 2.01 0.11 0.46 115.64 126.41 1wfm s THR 93 Ca 0.07 -1.61 -0.23 0.00 0.31 0.00 0.00 61.69 60.24 1wfm s THR 93 Cb -0.15 -2.68 -0.11 0.00 0.01 0.00 0.00 72.50 69.58 1wfm s THR 93 CO 0.07 -0.20 0.94 -0.76 -0.69 0.00 0.00 174.62 173.97 1wfm s LEU 94 N 1.17 4.08 -0.05 4.42 1.02 0.62 -1.19 118.68 128.74 1wfm s LEU 94 Ca -0.03 1.73 -0.14 0.00 0.02 0.00 0.00 54.13 55.71 1wfm s LEU 94 Cb -0.20 -4.35 0.03 0.00 0.02 0.00 0.00 46.19 41.68 1wfm s LEU 94 CO -0.03 -0.26 0.32 -0.89 0.02 0.00 0.00 176.35 175.52 1wfm s THR 95 N -1.99 0.04 -0.34 5.49 2.01 0.54 0.21 115.64 121.60 1wfm s THR 95 Ca 0.58 -0.31 0.03 0.00 0.31 0.00 0.00 61.69 62.29 1wfm s THR 95 Cb -0.12 -0.57 0.10 0.00 0.01 0.00 0.00 72.50 71.92 1wfm s THR 95 CO 0.17 -0.17 0.08 -0.22 -0.69 0.00 0.00 174.62 173.79 1wfm s LEU 96 N -0.81 3.94 0.12 4.42 0.20 0.23 0.16 118.68 126.95 1wfm s LEU 96 Ca -0.09 -2.06 -0.04 0.00 0.69 0.00 0.00 54.13 52.63 1wfm s LEU 96 Cb -0.04 -1.39 -0.05 0.00 -0.43 0.00 0.00 46.19 44.28 1wfm s LEU 96 CO 0.03 -0.38 0.34 -0.13 -0.29 0.00 0.00 176.35 175.92 1wfm s ARG 97 N 1.04 3.58 -0.05 1.98 3.00 -1.17 0.21 118.95 127.53 1wfm s ARG 97 Ca 0.11 -0.17 -0.04 0.00 0.00 0.00 0.00 55.73 55.63 1wfm s ARG 97 Cb -0.19 -2.89 -0.04 0.00 0.00 0.00 0.00 34.95 31.83 1wfm s ARG 97 CO -0.12 0.50 0.15 0.95 0.00 0.00 0.00 175.30 176.77 1wfm s THR 98 N -1.63 5.32 -0.55 0.02 -4.23 -1.26 -2.89 115.64 110.42 1wfm s THR 98 Ca 0.40 -0.06 -0.25 0.00 -1.18 0.00 0.00 61.69 60.60 1wfm s THR 98 Cb -0.12 -3.41 0.04 0.00 1.34 0.00 0.00 72.50 70.35 1wfm s THR 98 CO 0.25 0.45 0.97 0.00 -0.54 0.00 0.00 174.62 175.76 1wfm s ASP 100 N 2.85 0.25 0.08 0.00 2.15 -1.26 -4.18 116.67 116.57 1wfm s ASP 100 Ca 0.32 -1.29 -0.21 0.00 0.43 0.00 0.00 52.55 51.80 1wfm s ASP 100 Cb -0.12 0.33 -0.07 0.00 -0.30 0.00 0.00 42.92 42.76 1wfm s ASP 100 CO 0.20 -0.78 1.35 0.03 -0.17 0.00 0.00 175.17 175.81 1wfm h ARG 101 N 2.75 -0.24 0.00 4.34 3.08 -2.03 -3.37 114.38 118.90 1wfm h ARG 101 Ca -0.36 0.02 -0.08 0.00 0.07 0.00 0.00 59.98 59.64 1wfm h ARG 101 Cb 1.22 0.06 -0.01 0.00 0.08 0.00 0.00 29.97 31.31 1wfm h ARG 101 CO 0.56 -0.16 -1.28 1.19 -1.07 0.00 0.00 179.97 179.21 1wfm n PHE 102 N -4.42 0.00 -3.26 3.04 3.01 -1.26 -5.04 117.46 109.53 1wfm n PHE 102 Ca -0.02 0.00 -0.17 0.00 1.01 0.00 0.00 57.45 58.27 1wfm n PHE 102 Cb 0.22 -0.19 0.07 0.00 -0.01 0.00 0.00 39.48 39.56 1wfm n PHE 102 CO 0.00 0.00 0.00 0.45 1.01 0.00 0.00 176.76 178.22 1wfm n SER 103 N -2.69 -4.07 -4.56 4.37 2.88 -1.26 -4.81 113.62 103.49 1wfm n SER 103 Ca -0.09 -0.45 -0.13 0.00 -1.33 0.00 0.00 58.87 56.87 1wfm n SER 103 Cb 0.59 -4.08 -0.10 0.00 -0.75 0.00 0.00 64.21 59.88 1wfm n SER 103 CO 0.00 0.00 0.00 0.54 -1.23 0.00 0.00 175.04 174.35 1wfm n ARG 104 N -3.80 0.30 0.00 -1.46 1.74 -1.26 -4.64 116.66 107.54 1wfm n ARG 104 Ca -0.09 -1.27 0.00 0.00 -0.77 0.00 0.00 57.85 55.73 1wfm n ARG 104 Cb 0.58 -3.74 0.00 0.00 -1.02 0.00 0.00 32.46 28.29 1wfm n ARG 104 CO 0.00 0.00 0.00 1.58 -1.52 0.00 0.00 177.63 177.69 1wfm n HIS 105 N 18.97 0.00 -0.78 -1.55 -0.00 -1.26 -5.17 115.22 125.43 1wfm n HIS 105 Ca 0.43 0.00 -0.00 0.00 0.46 0.00 0.00 57.72 58.61 1wfm n HIS 105 Cb 0.45 0.00 0.00 0.00 -0.12 0.00 0.00 29.99 30.32 1wfm n HIS 105 CO 0.00 0.00 0.00 0.43 0.46 0.00 0.00 176.34 177.23 1wfm n SER 106 N 0.00 -0.45 -4.79 0.26 7.64 -1.26 -5.03 113.62 109.98 1wfm n SER 106 Ca 0.00 -0.78 -0.30 0.00 1.01 0.00 0.00 58.87 58.80 1wfm n SER 106 Cb 0.00 -0.00 0.09 0.00 -1.01 0.00 0.00 64.21 63.29 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 -1.01 3.12 -0.54 0.44 -7.23 -1.26 -4.91 120.40 109.01 1wfm s VAL 107 Ca 0.00 0.36 0.23 0.00 -1.81 0.00 0.00 61.98 60.77 1wfm s VAL 107 Cb -0.00 -3.07 0.24 0.00 0.56 0.00 0.00 36.38 34.11 1wfm s VAL 107 CO 0.00 -0.47 1.70 0.00 -0.31 0.00 0.00 175.10 176.02 1wfm n ALA 108 N -3.46 1.70 0.00 1.32 0.00 0.55 -4.79 120.51 115.83 1wfm n ALA 108 Ca 0.07 0.07 0.00 0.00 0.00 0.00 0.00 53.44 53.58 1wfm n ALA 108 Cb 0.56 -1.38 0.00 0.00 0.00 0.00 0.00 19.45 18.63 1wfm n ALA 108 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1wfm n GLY 109 N 0.08 2.64 3.63 0.00 0.00 -1.18 -4.80 105.19 105.56 1wfm n GLY 109 Ca 0.02 0.12 -0.32 0.00 0.00 0.00 0.00 46.02 45.84 1wfm n GLY 109 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 1wfm s GLU 110 N -0.00 2.61 0.03 1.61 2.12 -1.26 -0.60 118.70 123.20 1wfm s GLU 110 Ca 0.00 -0.71 0.03 0.00 0.36 0.00 0.00 54.97 54.65 1wfm s GLU 110 Cb 0.00 -2.55 -0.02 0.00 0.26 0.00 0.00 34.13 31.82 1wfm s GLU 110 CO 0.00 0.60 -0.10 -1.17 -0.54 0.00 0.00 175.26 174.05 1wfm s LEU 111 N -1.57 2.14 0.00 2.70 0.20 0.57 0.20 118.68 122.92 1wfm s LEU 111 Ca 0.19 -0.37 0.07 0.00 0.69 0.00 0.00 54.13 54.70 1wfm s LEU 111 Cb -0.11 -0.40 -0.03 0.00 -0.43 0.00 0.00 46.19 45.22 1wfm s LEU 111 CO 0.10 -0.02 -0.20 -0.60 -0.29 0.00 0.00 176.35 175.34 1wfm s ARG 112 N -0.94 2.15 0.25 1.98 3.52 -1.26 0.23 118.95 124.88 1wfm s ARG 112 Ca -0.01 -0.91 -0.06 0.00 -0.13 0.00 0.00 55.73 54.61 1wfm s ARG 112 Cb -0.07 -2.17 -0.02 0.00 -1.56 0.00 0.00 34.95 31.14 1wfm s ARG 112 CO 0.01 0.56 0.35 -0.51 -0.81 0.00 0.00 175.30 174.90 1wfm s LEU 113 N -1.03 0.78 0.33 -0.88 1.43 0.17 -4.94 118.68 114.55 1wfm s LEU 113 Ca 0.12 -1.22 0.10 0.00 -1.03 0.00 0.00 54.13 52.10 1wfm s LEU 113 Cb -0.10 1.19 -0.06 0.00 0.03 0.00 0.00 46.19 47.24 1wfm s LEU 113 CO 0.02 -1.06 -0.11 -0.83 0.23 0.00 0.00 176.35 174.60 1wfm s GLY 114 N -3.12 2.13 -0.05 -3.19 0.00 -1.26 -2.19 107.32 99.64 1wfm s GLY 114 Ca 0.30 -2.05 0.01 0.00 0.00 0.00 0.00 44.72 42.98 1wfm s GLY 114 CO 0.13 -2.02 -0.04 1.04 0.00 0.00 0.00 173.10 172.21 1wfm n LEU 115 N -0.76 2.53 -0.34 0.66 7.99 -1.26 -4.61 117.00 121.21 1wfm n LEU 115 Ca -0.05 -0.02 0.30 0.00 -0.01 0.00 0.00 56.01 56.22 1wfm n LEU 115 Cb 0.63 -0.13 0.56 0.00 -0.11 0.00 0.00 43.42 44.36 1wfm n LEU 115 CO 0.42 0.51 1.10 -2.24 -1.51 0.00 0.00 177.39 175.67 1wfm h ASP 116 N 0.00 0.38 0.00 -1.43 2.03 -1.84 -3.44 116.42 112.13 1wfm h ASP 116 Ca -0.11 0.22 0.00 0.00 -0.73 0.00 0.00 57.03 56.41 1wfm h ASP 116 Cb 1.19 0.21 0.00 0.00 -0.83 0.00 0.00 39.33 39.90 1wfm h ASP 116 CO -0.01 -0.31 0.00 0.61 -1.03 0.00 0.00 179.24 178.50 1wfm n GLY 117 N -1.30 1.97 0.00 7.15 0.00 -1.26 -4.95 105.19 106.80 1wfm n GLY 117 Ca 0.36 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.38 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 -0.23 0.00 0.00 2.61 -1.04 -1.26 -4.69 114.28 109.67 1wfm n THR 118 Ca 0.00 0.00 0.00 0.00 -2.04 0.00 0.00 64.05 62.01 1wfm n THR 118 Cb 0.00 -0.71 0.00 0.00 -1.82 0.00 0.00 70.33 67.80 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 -0.74 0.00 -4.37 8.00 7.64 -1.26 -4.45 113.62 118.44 1wfm n SER 119 Ca 0.00 0.86 -0.32 0.00 1.01 0.00 0.00 58.87 60.43 1wfm n SER 119 Cb 0.00 -0.39 -0.15 0.00 -1.01 0.00 0.00 64.21 62.66 1wfm n SER 119 CO 0.00 0.00 0.00 0.68 -3.01 0.00 0.00 175.04 172.71 1wfm s VAL 120 N -2.65 2.48 0.94 0.44 -7.23 -1.26 -4.99 120.40 108.12 1wfm s VAL 120 Ca 0.00 -0.94 -0.13 0.00 -1.81 0.00 0.00 61.98 59.10 1wfm s VAL 120 Cb 0.00 -1.92 0.16 0.00 0.56 0.00 0.00 36.38 35.18 1wfm s VAL 120 CO 0.00 0.58 1.15 -2.16 -0.31 0.00 0.00 175.10 174.36 1wfm s PRO 121 N -0.52 0.87 0.22 4.82 0.04 -1.26 -4.44 135.00 134.73 1wfm s PRO 121 Ca 0.07 0.19 -0.01 0.00 0.04 0.00 0.00 61.00 61.29 1wfm s PRO 121 Cb -0.11 -1.82 -0.04 0.00 0.04 0.00 0.00 34.50 32.57 1wfm s PRO 121 CO 0.01 -2.36 0.42 -0.51 0.04 0.00 0.00 177.00 174.59 1wfm s LEU 122 N -6.11 4.20 -1.80 -3.56 1.43 -1.26 -4.14 118.68 107.44 1wfm s LEU 122 Ca 0.65 0.43 0.00 0.00 -1.03 0.00 0.00 54.13 54.19 1wfm s LEU 122 Cb -0.13 -3.21 0.00 0.00 0.03 0.00 0.00 46.19 42.88 1wfm s LEU 122 CO 0.54 -0.07 0.00 0.61 0.23 0.00 0.00 176.35 177.65 1wfm n GLY 123 N -0.76 1.53 2.80 -3.19 0.00 0.53 -4.90 105.19 101.19 1wfm n GLY 123 Ca -0.04 0.00 -0.30 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 -2.47 1.82 0.22 4.61 0.00 -1.25 -5.01 121.76 119.68 1wfm s ALA 124 Ca 0.00 -1.81 -0.31 0.00 0.00 0.00 0.00 51.96 49.84 1wfm s ALA 124 Cb 0.00 -1.67 -0.11 0.00 0.00 0.00 0.00 23.12 21.34 1wfm s ALA 124 CO 0.00 -1.64 1.55 0.00 0.00 0.00 0.00 175.76 175.67 1wfm s ALA 125 N 1.47 3.74 0.18 0.00 0.00 -1.26 -4.46 121.76 121.42 1wfm s ALA 125 Ca 0.09 1.42 0.08 0.00 0.00 0.00 0.00 51.96 53.55 1wfm s ALA 125 Cb -0.18 -3.61 -0.04 0.00 0.00 0.00 0.00 23.12 19.29 1wfm s ALA 125 CO -0.20 -0.82 -0.16 -0.65 0.00 0.00 0.00 175.76 173.92 1wfm s GLN 126 N 0.29 1.29 -0.66 0.00 -1.52 -1.02 -5.01 119.66 113.02 1wfm s GLN 126 Ca 0.65 -1.49 -0.05 0.00 -1.95 0.00 0.00 55.36 52.53 1wfm s GLN 126 Cb -0.45 -1.20 0.17 0.00 -0.22 0.00 0.00 33.01 31.32 1wfm s GLN 126 CO 0.39 0.22 0.51 -1.58 -0.25 0.00 0.00 175.29 174.58 1wfm s TRP 127 N -2.51 3.48 0.13 0.91 0.52 -1.26 -2.96 118.94 117.26 1wfm s TRP 127 Ca 0.19 -2.55 -0.01 0.00 0.02 0.00 0.00 56.10 53.75 1wfm s TRP 127 Cb -0.03 -3.33 -0.04 0.00 -1.15 0.00 0.00 33.47 28.91 1wfm s TRP 127 CO 0.07 -0.87 0.31 0.20 0.02 0.00 0.00 176.95 176.67 1wfm s GLY 128 N 1.03 1.99 0.07 0.98 0.00 -1.19 -4.94 107.32 105.27 1wfm s GLY 128 Ca 0.17 -0.82 -0.05 0.00 0.00 0.00 0.00 44.72 44.02 1wfm s GLY 128 CO -0.04 -0.78 0.31 1.85 0.00 0.00 0.00 173.10 174.44 1wfm s GLU 129 N -2.91 3.60 0.05 2.90 2.12 -1.26 -0.56 118.70 122.63 1wfm s GLU 129 Ca 0.37 -0.10 -0.30 0.00 0.36 0.00 0.00 54.97 55.29 1wfm s GLU 129 Cb -0.12 -2.98 -0.05 0.00 0.26 0.00 0.00 34.13 31.23 1wfm s GLU 129 CO 0.28 0.57 1.22 -0.51 -0.54 0.00 0.00 175.26 176.28 1wfm s LEU 130 N -2.20 4.35 -1.10 2.70 1.43 0.28 -4.81 118.68 119.34 1wfm s LEU 130 Ca 0.34 2.01 -0.06 0.00 -1.03 0.00 0.00 54.13 55.39 1wfm s LEU 130 Cb -0.13 -3.58 0.02 0.00 0.03 0.00 0.00 46.19 42.54 1wfm s LEU 130 CO 0.21 -0.51 2.71 0.29 0.23 0.00 0.00 176.35 179.29 1wfm n LYS 131 N 4.18 3.73 -0.31 1.70 4.76 0.52 -4.70 118.16 128.04 1wfm n LYS 131 Ca 0.10 -2.73 0.15 0.00 -2.87 0.00 0.00 58.31 52.96 1wfm n LYS 131 Cb 0.46 -2.52 0.30 0.00 -1.84 0.00 0.00 35.03 31.43 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 2.05 -0.38 -3.35 -0.18 -2.24 -1.26 -4.25 114.28 104.67 1wfm n THR 132 Ca 0.62 1.98 -0.28 0.00 -2.27 0.00 0.00 64.05 64.10 1wfm n THR 132 Cb 0.37 -2.93 0.03 0.00 -2.10 0.00 0.00 70.33 65.69 1wfm n THR 132 CO 0.00 0.00 0.00 -0.24 -0.57 0.00 0.00 175.07 174.26 1wfm n SER 133 N -5.30 -6.05 0.00 3.42 2.88 -1.26 -4.79 113.62 102.52 1wfm n SER 133 Ca 0.23 0.06 0.00 0.00 -1.33 0.00 0.00 58.87 57.83 1wfm n SER 133 Cb 0.75 -2.22 0.00 0.00 -0.75 0.00 0.00 64.21 61.99 1wfm n SER 133 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 1wfm n GLY 134 N 0.05 0.09 3.73 0.46 0.00 -1.26 -5.06 105.19 103.20 1wfm n GLY 134 Ca -0.05 -0.93 -0.41 0.00 0.00 0.00 0.00 46.02 44.63 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 -1.86 4.53 0.11 1.61 0.04 -1.26 -4.52 135.00 133.65 1wfm s PRO 135 Ca 0.00 1.73 -0.26 0.00 0.04 0.00 0.00 61.00 62.51 1wfm s PRO 135 Cb 0.00 -3.30 0.08 0.00 0.04 0.00 0.00 34.50 31.31 1wfm s PRO 135 CO 0.00 -0.05 1.03 -1.54 0.04 0.00 0.00 177.00 176.48 1wfm s SER 136 N 0.33 -0.16 -0.25 6.66 1.04 -1.26 -5.05 113.70 115.01 1wfm s SER 136 Ca 0.53 -0.33 -0.31 0.00 0.48 0.00 0.00 55.95 56.31 1wfm s SER 136 Cb -0.29 0.41 -0.08 0.00 0.10 0.00 0.00 66.02 66.16 1wfm s SER 136 CO 0.33 -0.76 2.19 -0.24 0.98 0.00 0.00 173.24 175.74 1wfm n SER 137 N -0.47 2.87 0.00 7.02 2.88 -1.26 -4.97 113.62 119.70 1wfm n SER 137 Ca -0.07 0.33 0.00 0.00 -1.33 0.00 0.00 58.87 57.81 1wfm n SER 137 Cb 0.61 -1.44 0.00 0.00 -0.75 0.00 0.00 64.21 62.63 1wfm n SER 137 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42