#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 0.33 0.37 1.61 0.01 -1.26 -5.11 113.70 109.64 1wfm s SER 2 Ca 0.00 -0.77 0.00 0.00 1.31 0.00 0.00 55.95 56.49 1wfm s SER 2 Cb 0.00 0.21 0.00 0.00 0.21 0.00 0.00 66.02 66.44 1wfm s SER 2 CO 0.00 -0.56 0.00 -0.24 0.41 0.00 0.00 173.24 172.85 1wfm n SER 3 N 0.45 -6.10 0.00 2.44 2.88 -1.26 -5.08 113.62 106.95 1wfm n SER 3 Ca -0.17 0.80 0.00 0.00 -1.33 0.00 0.00 58.87 58.17 1wfm n SER 3 Cb 0.60 -3.38 0.00 0.00 -0.75 0.00 0.00 64.21 60.67 1wfm n SER 3 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 1wfm n GLY 4 N -3.78 4.51 3.38 0.46 0.00 -1.26 -5.19 105.19 103.31 1wfm n GLY 4 Ca -0.04 -0.78 -0.10 0.00 0.00 0.00 0.00 46.02 45.11 1wfm n GLY 4 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1wfm s SER 5 N 1.48 0.03 0.43 1.61 0.01 -1.26 -5.18 113.70 110.82 1wfm s SER 5 Ca 0.00 -1.00 0.06 0.00 1.31 0.00 0.00 55.95 56.32 1wfm s SER 5 Cb 0.00 0.46 -0.06 0.00 0.21 0.00 0.00 66.02 66.64 1wfm s SER 5 CO 0.00 -0.95 0.09 -0.55 0.41 0.00 0.00 173.24 172.24 1wfm s SER 6 N -3.02 4.14 0.00 2.44 0.15 -1.26 -4.74 113.70 111.41 1wfm s SER 6 Ca 0.23 -1.29 0.00 0.00 0.70 0.00 0.00 55.95 55.60 1wfm s SER 6 Cb 0.03 -0.29 0.00 0.00 -1.71 0.00 0.00 66.02 64.05 1wfm s SER 6 CO 0.05 -0.56 0.00 0.61 1.20 0.00 0.00 173.24 174.54 1wfm n GLY 7 N -1.14 0.45 1.49 9.45 0.00 -1.26 -4.95 105.19 109.24 1wfm n GLY 7 Ca -0.05 -0.01 0.00 0.00 0.00 0.00 0.00 46.02 45.96 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 -7.69 -3.65 1.61 2.88 -1.26 -5.08 113.62 100.43 1wfm n SER 8 Ca 0.00 1.04 -0.15 0.00 -1.33 0.00 0.00 58.87 58.44 1wfm n SER 8 Cb 0.00 -3.77 -0.08 0.00 -0.75 0.00 0.00 64.21 59.61 1wfm n SER 8 CO 0.00 0.00 0.00 0.86 -1.23 0.00 0.00 175.04 174.67 1wfm s TRP 9 N -1.49 -0.58 0.97 0.66 -0.11 -1.26 -5.15 118.94 111.97 1wfm s TRP 9 Ca 0.00 1.30 -0.16 0.00 1.22 0.00 0.00 56.10 58.45 1wfm s TRP 9 Cb 0.00 0.25 -0.12 0.00 -1.50 0.00 0.00 33.47 32.10 1wfm s TRP 9 CO 0.00 -0.39 -0.57 0.09 -4.62 0.00 0.00 176.95 171.47 1wfm n ASN 10 N 2.15 -5.25 -3.29 5.86 3.02 -1.26 -3.75 115.26 112.74 1wfm n ASN 10 Ca -0.16 0.23 -0.21 0.00 -0.03 0.00 0.00 54.58 54.41 1wfm n ASN 10 Cb 0.56 -0.84 0.02 0.00 -0.61 0.00 0.00 39.78 38.91 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 1.74 -1.55 -1.14 3.52 3.00 -1.26 -4.79 117.38 116.91 1wfm n GLN 11 Ca -0.00 1.38 -0.33 0.00 -0.01 0.00 0.00 57.00 58.04 1wfm n GLN 11 Cb 0.55 -2.29 0.12 0.00 0.00 0.00 0.00 30.24 28.62 1wfm n GLN 11 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.06 177.06 1wfm s ALA 12 N -1.44 1.91 -0.07 -1.58 0.00 -1.25 -4.55 121.76 114.77 1wfm s ALA 12 Ca 0.22 0.68 -0.30 0.00 0.00 0.00 0.00 51.96 52.56 1wfm s ALA 12 Cb -0.03 -3.43 -0.03 0.00 0.00 0.00 0.00 23.12 19.63 1wfm s ALA 12 CO 0.58 -2.18 1.23 -1.25 0.00 0.00 0.00 175.76 174.15 1wfm s PRO 13 N -4.33 4.32 0.02 0.00 0.04 -1.26 -4.79 135.00 129.00 1wfm s PRO 13 Ca 0.69 1.70 0.02 0.00 0.04 0.00 0.00 61.00 63.45 1wfm s PRO 13 Cb -0.25 -3.61 -0.04 0.00 0.04 0.00 0.00 34.50 30.65 1wfm s PRO 13 CO 0.51 -0.52 0.02 0.21 0.04 0.00 0.00 177.00 177.26 1wfm s LYS 14 N 2.51 2.79 -0.05 4.56 2.20 -0.54 0.12 119.74 131.33 1wfm s LYS 14 Ca 0.56 -0.64 -0.02 0.00 -0.36 0.00 0.00 55.97 55.51 1wfm s LYS 14 Cb -0.25 -2.68 0.03 0.00 -1.51 0.00 0.00 37.83 33.42 1wfm s LYS 14 CO 0.21 0.61 0.10 -1.17 -0.36 0.00 0.00 175.35 174.74 1wfm s LEU 15 N -1.77 1.13 -0.04 5.43 2.96 0.49 0.78 118.68 127.67 1wfm s LEU 15 Ca 0.22 0.21 -0.03 0.00 -0.22 0.00 0.00 54.13 54.31 1wfm s LEU 15 Cb -0.12 0.27 -0.04 0.00 0.50 0.00 0.00 46.19 46.80 1wfm s LEU 15 CO 0.13 -0.10 0.13 -2.28 -1.32 0.00 0.00 176.35 172.91 1wfm s HIS 16 N 0.73 3.45 -0.26 5.38 5.65 -0.61 -1.09 115.29 128.55 1wfm s HIS 16 Ca -0.06 0.33 -0.20 0.00 0.25 0.00 0.00 55.06 55.39 1wfm s HIS 16 Cb -0.08 -1.82 0.07 0.00 -1.18 0.00 0.00 32.58 29.57 1wfm s HIS 16 CO -0.03 0.62 0.67 1.52 -0.65 0.00 0.00 174.74 176.88 1wfm s TYR 17 N -1.19 -0.87 -0.39 3.88 1.13 -1.14 -2.83 117.35 115.93 1wfm s TYR 17 Ca 0.22 1.92 -0.04 0.00 -1.41 0.00 0.00 57.07 57.77 1wfm s TYR 17 Cb -0.12 0.41 0.09 0.00 -1.10 0.00 0.00 41.96 41.24 1wfm s TYR 17 CO 0.13 -0.43 0.19 0.00 -2.51 0.00 0.00 175.55 172.93 1wfm s LEU 19 N 1.23 4.53 -0.27 0.00 2.01 -1.26 -1.89 118.68 123.02 1wfm s LEU 19 Ca 0.05 2.01 -0.03 0.00 0.01 0.00 0.00 54.13 56.17 1wfm s LEU 19 Cb -0.22 -3.60 0.16 0.00 0.01 0.00 0.00 46.19 42.53 1wfm s LEU 19 CO -0.02 -0.10 0.52 -0.62 1.01 0.00 0.00 176.35 177.14 1wfm s ASP 20 N -0.38 -0.75 -0.39 2.29 2.15 -0.89 0.20 116.67 118.91 1wfm s ASP 20 Ca 0.47 0.75 -0.13 0.00 0.43 0.00 0.00 52.55 54.07 1wfm s ASP 20 Cb -0.28 1.78 0.02 0.00 -0.30 0.00 0.00 42.92 44.15 1wfm s ASP 20 CO 0.34 -0.27 0.25 -0.47 -0.17 0.00 0.00 175.17 174.85 1wfm s TYR 21 N 2.74 3.24 -1.05 -5.34 5.04 -1.26 -1.41 117.35 119.32 1wfm s TYR 21 Ca 0.14 -0.75 -0.17 0.00 -2.44 0.00 0.00 57.07 53.84 1wfm s TYR 21 Cb -0.15 -2.51 0.14 0.00 0.35 0.00 0.00 41.96 39.80 1wfm s TYR 21 CO -0.18 -0.60 1.27 -0.51 -1.34 0.00 0.00 175.55 174.18 1wfm s ASP 22 N 1.62 6.79 0.49 4.32 1.01 -1.21 -4.82 116.67 124.87 1wfm s ASP 22 Ca 0.04 -2.39 0.37 0.00 0.71 0.00 0.00 52.55 51.28 1wfm s ASP 22 Cb -0.19 -2.41 1.52 0.00 1.01 0.00 0.00 42.92 42.85 1wfm s ASP 22 CO 0.08 -0.97 1.65 0.00 0.21 0.00 0.00 175.17 176.14 1wfm h GLN 24 N 0.07 0.09 0.00 0.00 4.20 -1.98 -2.53 115.11 114.96 1wfm h GLN 24 Ca 0.80 -0.01 -0.15 0.00 0.06 0.00 0.00 58.65 59.35 1wfm h GLN 24 Cb 2.82 -0.02 -0.03 0.00 0.30 0.00 0.00 27.48 30.55 1wfm h GLN 24 CO -0.22 0.06 -1.49 1.63 -0.67 0.00 0.00 178.83 178.14 1wfm n LYS 25 N -5.18 0.63 -3.02 1.46 5.02 0.43 -4.97 118.16 112.52 1wfm n LYS 25 Ca 0.01 0.16 -0.14 0.00 -2.02 0.00 0.00 58.31 56.33 1wfm n LYS 25 Cb 0.18 -1.77 0.04 0.00 -0.02 0.00 0.00 35.03 33.46 1wfm n LYS 25 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 1wfm n ALA 26 N -2.39 -0.72 -3.62 7.82 0.00 0.65 -4.93 120.51 117.33 1wfm n ALA 26 Ca -0.10 0.22 -0.21 0.00 0.00 0.00 0.00 53.44 53.35 1wfm n ALA 26 Cb 0.81 -3.20 -0.16 0.00 0.00 0.00 0.00 19.45 16.90 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 -5.62 0.96 0.36 0.00 2.02 -1.24 -1.15 118.70 114.02 1wfm s GLU 27 Ca 0.30 -0.14 -0.26 0.00 0.02 0.00 0.00 54.97 54.89 1wfm s GLU 27 Cb -0.13 -0.95 -0.09 0.00 0.10 0.00 0.00 34.13 33.06 1wfm s GLU 27 CO 0.37 -0.09 1.09 -1.17 0.02 0.00 0.00 175.26 175.49 1wfm s LEU 28 N 0.97 4.30 0.03 1.80 1.98 0.60 -3.31 118.68 125.06 1wfm s LEU 28 Ca -0.10 2.19 0.07 0.00 -2.89 0.00 0.00 54.13 53.40 1wfm s LEU 28 Cb -0.14 -3.95 -0.02 0.00 0.66 0.00 0.00 46.19 42.73 1wfm s LEU 28 CO 0.00 -0.41 -0.20 -0.36 -1.89 0.00 0.00 176.35 173.49 1wfm s PHE 29 N -1.43 1.80 -0.53 5.38 0.40 -0.50 0.19 117.98 123.29 1wfm s PHE 29 Ca 0.53 -0.37 0.06 0.00 -0.60 0.00 0.00 56.93 56.55 1wfm s PHE 29 Cb -0.27 -1.09 0.23 0.00 0.51 0.00 0.00 43.02 42.39 1wfm s PHE 29 CO 0.35 0.07 0.57 0.28 0.70 0.00 0.00 175.22 177.18 1wfm n VAL 30 N 2.00 0.66 -2.45 -0.44 0.31 0.67 -2.09 118.33 116.99 1wfm n VAL 30 Ca -0.17 -4.48 -0.17 0.00 -0.01 0.00 0.00 64.34 59.51 1wfm n VAL 30 Cb 0.53 -2.00 0.09 0.00 -0.91 0.00 0.00 33.84 31.56 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 1.50 0.00 -3.47 2.52 -2.24 -0.79 -1.39 114.28 110.41 1wfm n THR 31 Ca 0.25 -1.12 -0.18 0.00 -2.27 0.00 0.00 64.05 60.74 1wfm n THR 31 Cb 0.45 -1.07 0.08 0.00 -2.10 0.00 0.00 70.33 67.69 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 -2.40 -6.13 -2.93 -0.78 5.12 -1.26 0.20 116.66 108.47 1wfm n ARG 32 Ca 0.12 0.81 -0.41 0.00 -1.93 0.00 0.00 57.85 56.44 1wfm n ARG 32 Cb 0.43 -5.74 -0.04 0.00 -1.16 0.00 0.00 32.46 25.94 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 -6.37 4.20 -0.33 0.55 1.43 -1.26 -2.89 118.68 114.02 1wfm s LEU 33 Ca 0.02 1.16 0.02 0.00 -1.03 0.00 0.00 54.13 54.30 1wfm s LEU 33 Cb -0.00 -3.19 0.15 0.00 0.03 0.00 0.00 46.19 43.18 1wfm s LEU 33 CO 0.74 -0.33 0.39 -1.61 0.23 0.00 0.00 176.35 175.77 1wfm s GLU 34 N 1.86 0.51 0.49 1.70 2.02 -1.13 -2.54 118.70 121.61 1wfm s GLU 34 Ca 0.38 -0.34 -0.21 0.00 0.02 0.00 0.00 54.97 54.82 1wfm s GLU 34 Cb -0.17 -0.52 -0.08 0.00 0.10 0.00 0.00 34.13 33.47 1wfm s GLU 34 CO 0.14 -1.11 1.08 0.00 0.02 0.00 0.00 175.26 175.39 1wfm s ALA 35 N 2.03 2.85 -0.42 5.21 0.00 -0.93 -1.57 121.76 128.93 1wfm s ALA 35 Ca 0.13 0.71 0.05 0.00 0.00 0.00 0.00 51.96 52.85 1wfm s ALA 35 Cb -0.13 -3.30 0.18 0.00 0.00 0.00 0.00 23.12 19.87 1wfm s ALA 35 CO -0.19 -0.48 0.39 0.28 0.00 0.00 0.00 175.76 175.76 1wfm n VAL 36 N -0.94 -1.09 -4.32 0.00 0.31 0.23 -2.98 118.33 109.54 1wfm n VAL 36 Ca 0.09 -3.28 -0.35 0.00 -0.01 0.00 0.00 64.34 60.79 1wfm n VAL 36 Cb 0.51 -1.47 -0.09 0.00 -0.91 0.00 0.00 33.84 31.89 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 0.03 4.43 -0.14 2.52 -4.23 -1.26 -1.47 115.64 115.52 1wfm s THR 37 Ca 0.33 -0.22 -0.04 0.00 -1.18 0.00 0.00 61.69 60.58 1wfm s THR 37 Cb 0.05 -2.88 -0.07 0.00 1.34 0.00 0.00 72.50 70.94 1wfm s THR 37 CO -0.18 0.59 -0.16 -1.54 -0.54 0.00 0.00 174.62 172.79 1wfm n SER 38 N 2.08 1.79 -4.36 3.99 3.41 -1.26 -4.50 113.62 114.77 1wfm n SER 38 Ca -0.18 0.08 -0.61 0.00 -0.26 0.00 0.00 58.87 57.89 1wfm n SER 38 Cb 0.54 -0.33 -0.11 0.00 -0.26 0.00 0.00 64.21 64.04 1wfm n SER 38 CO 0.00 0.00 0.00 -0.46 -0.16 0.00 0.00 175.04 174.42 1wfm n ASN 39 N -3.34 0.91 -4.49 4.04 6.94 -1.26 -4.81 115.26 113.25 1wfm n ASN 39 Ca -0.26 0.78 -0.34 0.00 -0.02 0.00 0.00 54.58 54.74 1wfm n ASN 39 Cb 0.72 -0.91 0.11 0.00 -2.36 0.00 0.00 39.78 37.34 1wfm n ASN 39 CO 0.00 0.00 0.00 1.57 -1.03 0.00 0.00 177.26 177.80 1wfm n HIS 40 N 6.84 -0.68 -3.66 -2.53 -0.00 -1.26 -5.02 115.22 108.91 1wfm n HIS 40 Ca 0.49 0.30 -0.09 0.00 0.46 0.00 0.00 57.72 58.89 1wfm n HIS 40 Cb -0.03 -1.89 -0.02 0.00 -0.12 0.00 0.00 29.99 27.93 1wfm n HIS 40 CO 0.00 0.00 0.00 -0.51 0.46 0.00 0.00 176.34 176.29 1wfm s ASP 41 N -1.91 -0.38 0.00 0.26 1.01 -1.26 -5.11 116.67 109.28 1wfm s ASP 41 Ca 0.63 -0.32 0.00 0.00 0.71 0.00 0.00 52.55 53.57 1wfm s ASP 41 Cb -0.27 0.64 0.00 0.00 1.01 0.00 0.00 42.92 44.31 1wfm s ASP 41 CO 0.61 -1.13 0.18 0.61 0.21 0.00 0.00 175.17 175.65 1wfm n GLY 42 N -0.42 -2.04 0.00 0.21 0.00 -1.26 -5.03 105.19 96.65 1wfm n GLY 42 Ca -0.10 0.13 0.00 0.00 0.00 0.00 0.00 46.02 46.05 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 -0.26 -0.06 1.14 -0.02 0.00 -1.26 -5.13 105.19 99.59 1wfm n GLY 43 Ca 0.00 0.55 0.15 0.00 0.00 0.00 0.00 46.02 46.72 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 -5.88 5.39 0.11 0.00 1.11 -1.26 -4.16 116.67 111.99 1wfm s ASP 45 Ca 0.00 -0.04 0.03 0.00 0.18 0.00 0.00 52.55 52.72 1wfm s ASP 45 Cb 0.00 -1.94 -0.04 0.00 1.07 0.00 0.00 42.92 42.01 1wfm s ASP 45 CO 0.00 0.09 0.17 0.00 1.18 0.00 0.00 175.17 176.61 1wfm s TYR 47 N -1.59 -0.29 0.03 0.00 1.13 -1.15 -2.51 117.35 112.96 1wfm s TYR 47 Ca 0.32 0.24 -0.16 0.00 -1.41 0.00 0.00 57.07 56.06 1wfm s TYR 47 Cb -0.12 0.25 -0.06 0.00 -1.10 0.00 0.00 41.96 40.93 1wfm s TYR 47 CO 0.25 -0.60 0.47 0.08 -2.51 0.00 0.00 175.55 173.24 1wfm s VAL 48 N -2.59 4.92 -0.03 -3.49 1.01 -1.26 -2.97 120.40 116.00 1wfm s VAL 48 Ca -0.05 0.98 0.04 0.00 0.00 0.00 0.00 61.98 62.95 1wfm s VAL 48 Cb -0.01 -3.78 -0.00 0.00 0.00 0.00 0.00 36.38 32.59 1wfm s VAL 48 CO -0.03 0.57 -0.14 -1.58 0.00 0.00 0.00 175.10 173.92 1wfm s GLN 49 N -1.06 1.32 -0.11 2.72 0.74 0.53 -2.02 119.66 121.78 1wfm s GLN 49 Ca 0.26 -0.49 0.02 0.00 0.05 0.00 0.00 55.36 55.20 1wfm s GLN 49 Cb -0.18 -1.21 0.02 0.00 1.10 0.00 0.00 33.01 32.74 1wfm s GLN 49 CO 0.15 0.23 -0.15 0.20 -0.55 0.00 0.00 175.29 175.18 1wfm s GLY 50 N -0.05 1.03 0.01 2.59 0.00 0.44 0.19 107.32 111.53 1wfm s GLY 50 Ca -0.00 -0.73 0.08 0.00 0.00 0.00 0.00 44.72 44.08 1wfm s GLY 50 CO 0.01 0.28 -0.26 -0.45 0.00 0.00 0.00 173.10 172.68 1wfm s SER 51 N 1.05 3.04 -0.03 1.64 0.15 -0.82 -1.17 113.70 117.56 1wfm s SER 51 Ca -0.05 -0.52 0.05 0.00 0.70 0.00 0.00 55.95 56.12 1wfm s SER 51 Cb -0.15 -0.31 -0.01 0.00 -1.71 0.00 0.00 66.02 63.85 1wfm s SER 51 CO -0.02 0.28 -0.18 -0.69 1.20 0.00 0.00 173.24 173.83 1wfm s VAL 52 N -0.70 1.48 -0.37 4.45 1.01 0.28 -1.12 120.40 125.43 1wfm s VAL 52 Ca 0.11 -0.77 0.02 0.00 0.00 0.00 0.00 61.98 61.34 1wfm s VAL 52 Cb -0.10 -1.25 0.11 0.00 0.00 0.00 0.00 36.38 35.14 1wfm s VAL 52 CO 0.00 0.42 0.11 0.00 0.00 0.00 0.00 175.10 175.64 1wfm s ALA 53 N -0.18 2.50 0.64 5.51 0.00 -1.04 0.03 121.76 129.20 1wfm s ALA 53 Ca 0.01 -2.41 0.07 0.00 0.00 0.00 0.00 51.96 49.63 1wfm s ALA 53 Cb -0.10 -1.89 0.11 0.00 0.00 0.00 0.00 23.12 21.24 1wfm s ALA 53 CO 0.01 -1.77 0.88 -0.80 0.00 0.00 0.00 175.76 174.08 1wfm s ASN 54 N 0.88 4.80 0.00 0.00 0.01 -0.19 -3.21 114.94 117.23 1wfm s ASN 54 Ca 0.12 -0.76 0.14 0.00 -0.71 0.00 0.00 52.86 51.65 1wfm s ASN 54 Cb -0.20 0.32 0.80 0.00 0.41 0.00 0.00 41.25 42.58 1wfm s ASN 54 CO -0.11 -1.57 1.52 -1.14 -1.51 0.00 0.00 177.10 174.29 1wfm n ARG 55 N -2.46 1.03 -0.00 -0.60 0.63 -1.19 -2.70 116.66 111.37 1wfm n ARG 55 Ca 0.16 -0.05 0.04 0.00 -0.92 0.00 0.00 57.85 57.08 1wfm n ARG 55 Cb 0.61 -1.22 -0.06 0.00 0.45 0.00 0.00 32.46 32.25 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 -0.66 0.00 0.00 5.15 -2.24 -1.26 -5.10 114.28 110.16 1wfm n THR 56 Ca 0.10 -0.23 0.00 0.00 -2.27 0.00 0.00 64.05 61.66 1wfm n THR 56 Cb 0.06 0.53 0.00 0.00 -2.10 0.00 0.00 70.33 68.82 1wfm n THR 56 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 1wfm n GLY 57 N 1.77 -0.51 3.61 3.38 0.00 -1.10 -5.14 105.19 107.20 1wfm n GLY 57 Ca -0.01 -0.26 -0.14 0.00 0.00 0.00 0.00 46.02 45.62 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 -0.66 0.15 1.61 1.04 -1.26 -1.02 113.70 109.56 1wfm s SER 58 Ca 0.00 1.19 0.07 0.00 0.48 0.00 0.00 55.95 57.70 1wfm s SER 58 Cb 0.00 1.18 -0.04 0.00 0.10 0.00 0.00 66.02 67.25 1wfm s SER 58 CO 0.00 -0.29 -0.16 0.68 0.98 0.00 0.00 173.24 174.45 1wfm s VAL 59 N 0.06 1.63 0.18 5.02 -7.23 0.10 -4.94 120.40 115.22 1wfm s VAL 59 Ca -0.01 -1.88 -0.00 0.00 -1.81 0.00 0.00 61.98 58.28 1wfm s VAL 59 Cb -0.04 -1.76 -0.04 0.00 0.56 0.00 0.00 36.38 35.10 1wfm s VAL 59 CO 0.01 -0.38 0.09 -1.61 -0.31 0.00 0.00 175.10 172.90 1wfm s GLU 60 N -2.84 1.11 -0.21 4.82 2.02 -1.26 0.99 118.70 123.32 1wfm s GLU 60 Ca 0.14 -1.56 -0.29 0.00 0.02 0.00 0.00 54.97 53.27 1wfm s GLU 60 Cb -0.05 0.15 0.15 0.00 0.10 0.00 0.00 34.13 34.48 1wfm s GLU 60 CO 0.05 -0.31 1.13 0.00 0.02 0.00 0.00 175.26 176.16 1wfm s ALA 61 N -4.02 -2.01 0.15 5.21 0.00 -0.32 -4.93 121.76 115.84 1wfm s ALA 61 Ca 0.32 1.71 0.01 0.00 0.00 0.00 0.00 51.96 53.99 1wfm s ALA 61 Cb 0.07 -1.05 -0.04 0.00 0.00 0.00 0.00 23.12 22.10 1wfm s ALA 61 CO 0.08 -0.27 0.02 -0.65 0.00 0.00 0.00 175.76 174.93 1wfm s GLN 62 N -0.97 1.01 0.53 0.00 -0.21 -1.26 -0.42 119.66 118.34 1wfm s GLN 62 Ca 0.02 -1.48 0.09 0.00 0.02 0.00 0.00 55.36 54.02 1wfm s GLN 62 Cb -0.01 -0.07 0.07 0.00 1.00 0.00 0.00 33.01 34.00 1wfm s GLN 62 CO -0.02 -0.17 0.73 0.95 -2.12 0.00 0.00 175.29 174.66 1wfm s THR 63 N -3.80 2.39 0.14 -0.19 -4.23 -0.86 -4.95 115.64 104.14 1wfm s THR 63 Ca 0.23 -1.00 -0.30 0.00 -1.18 0.00 0.00 61.69 59.44 1wfm s THR 63 Cb 0.07 -2.39 -0.07 0.00 1.34 0.00 0.00 72.50 71.45 1wfm s THR 63 CO 0.02 0.00 1.20 0.00 -0.54 0.00 0.00 174.62 175.30 1wfm s ALA 64 N -2.58 3.42 0.51 3.99 0.00 -1.26 -4.78 121.76 121.07 1wfm s ALA 64 Ca 0.60 0.91 -0.21 0.00 0.00 0.00 0.00 51.96 53.27 1wfm s ALA 64 Cb -0.07 -3.43 -0.09 0.00 0.00 0.00 0.00 23.12 19.54 1wfm s ALA 64 CO 0.37 -0.39 0.77 1.28 0.00 0.00 0.00 175.76 177.80 1wfm n LEU 65 N 3.04 1.89 -3.98 0.00 7.99 -1.26 -4.89 117.00 119.78 1wfm n LEU 65 Ca 0.06 0.87 -0.09 0.00 -0.01 0.00 0.00 56.01 56.84 1wfm n LEU 65 Cb 0.45 -1.27 -0.08 0.00 -0.11 0.00 0.00 43.42 42.42 1wfm n LEU 65 CO 0.56 -2.28 -0.11 -0.54 -1.51 0.00 0.00 177.39 173.50 1wfm s LYS 66 N -2.15 1.00 0.08 3.23 1.02 -1.05 -5.00 119.74 116.89 1wfm s LYS 66 Ca 0.68 -1.18 -0.30 0.00 0.02 0.00 0.00 55.97 55.19 1wfm s LYS 66 Cb -0.50 0.33 -0.06 0.00 -0.52 0.00 0.00 37.83 37.09 1wfm s LYS 66 CO 0.54 -0.33 1.20 0.21 -0.92 0.00 0.00 175.35 176.04 1wfm s LYS 67 N -3.96 4.45 -0.31 1.68 2.47 -1.26 -2.47 119.74 120.33 1wfm s LYS 67 Ca 0.15 1.78 -0.28 0.00 -1.56 0.00 0.00 55.97 56.06 1wfm s LYS 67 Cb 0.05 -3.33 -0.03 0.00 -1.46 0.00 0.00 37.83 33.06 1wfm s LYS 67 CO -0.03 -0.22 1.91 0.50 0.16 0.00 0.00 175.35 177.67 1wfm s ARG 68 N 0.83 3.26 0.36 4.03 3.52 -1.26 -4.83 118.95 124.85 1wfm s ARG 68 Ca 0.58 1.56 0.02 0.00 -0.13 0.00 0.00 55.73 57.76 1wfm s ARG 68 Cb -0.30 -4.25 -0.01 0.00 -1.56 0.00 0.00 34.95 28.83 1wfm s ARG 68 CO 0.30 -1.95 0.09 1.04 -0.81 0.00 0.00 175.30 173.97 1wfm n GLN 69 N 8.53 0.74 0.01 5.12 1.13 -1.26 -5.01 117.38 126.64 1wfm n GLN 69 Ca 0.25 -2.87 0.10 0.00 -1.94 0.00 0.00 57.00 52.54 1wfm n GLN 69 Cb 0.47 1.33 0.45 0.00 0.11 0.00 0.00 30.24 32.60 1wfm n GLN 69 CO 0.00 0.00 0.00 1.28 -1.44 0.00 0.00 177.06 176.90 1wfm n LEU 70 N 0.00 0.07 -3.10 1.08 7.99 -1.26 -4.40 117.00 117.38 1wfm n LEU 70 Ca -0.08 0.51 0.03 0.00 -0.01 0.00 0.00 56.01 56.46 1wfm n LEU 70 Cb 0.51 -0.50 -0.00 0.00 -0.11 0.00 0.00 43.42 43.32 1wfm n LEU 70 CO 0.27 -0.17 0.25 -2.28 -1.51 0.00 0.00 177.39 173.95 1wfm s HIS 71 N -3.02 -1.27 -0.28 -1.77 2.46 -1.26 -4.20 115.29 105.95 1wfm s HIS 71 Ca 0.10 0.49 -0.09 0.00 0.47 0.00 0.00 55.06 56.03 1wfm s HIS 71 Cb 0.13 0.23 -0.03 0.00 -0.13 0.00 0.00 32.58 32.78 1wfm s HIS 71 CO 0.39 -0.80 0.12 0.99 -2.47 0.00 0.00 174.74 172.98 1wfm s THR 72 N 2.41 4.63 -0.09 0.89 2.01 -1.16 -4.99 115.64 119.34 1wfm s THR 72 Ca 0.16 -0.17 0.01 0.00 0.31 0.00 0.00 61.69 62.00 1wfm s THR 72 Cb -0.04 -3.24 -0.02 0.00 0.01 0.00 0.00 72.50 69.21 1wfm s THR 72 CO -0.18 0.23 -0.12 0.42 -0.69 0.00 0.00 174.62 174.28 1wfm s THR 73 N 1.65 3.17 0.50 -0.82 -4.23 -1.26 -2.20 115.64 112.45 1wfm s THR 73 Ca 0.06 -0.65 0.04 0.00 -1.18 0.00 0.00 61.69 59.96 1wfm s THR 73 Cb -0.16 -2.29 0.03 0.00 1.34 0.00 0.00 72.50 71.42 1wfm s THR 73 CO 0.06 0.56 0.70 0.26 -0.54 0.00 0.00 174.62 175.66 1wfm s TRP 74 N -0.26 2.71 -0.08 3.99 0.51 -1.05 -5.03 118.94 119.72 1wfm s TRP 74 Ca 0.02 -0.23 0.18 0.00 -2.12 0.00 0.00 56.10 53.95 1wfm s TRP 74 Cb -0.13 -2.58 -0.26 0.00 -0.81 0.00 0.00 33.47 29.69 1wfm s TRP 74 CO 0.03 -0.73 0.27 -1.91 -0.51 0.00 0.00 176.95 174.10 1wfm n GLU 75 N -2.15 0.80 -4.05 4.98 2.13 -1.26 -4.74 120.64 116.35 1wfm n GLU 75 Ca 0.09 -0.11 -0.25 0.00 0.66 0.00 0.00 57.16 57.55 1wfm n GLU 75 Cb 0.60 -1.45 -0.06 0.00 0.27 0.00 0.00 31.44 30.80 1wfm n GLU 75 CO 0.00 0.00 0.00 -1.83 -0.41 0.00 0.00 177.13 174.89 1wfm s GLU 76 N -2.96 2.27 0.00 5.31 -1.05 -1.26 -4.97 118.70 116.04 1wfm s GLU 76 Ca -0.08 -1.85 0.00 0.00 -0.15 0.00 0.00 54.97 52.89 1wfm s GLU 76 Cb 0.09 -2.03 0.00 0.00 -0.44 0.00 0.00 34.13 31.76 1wfm s GLU 76 CO 0.76 -0.20 0.00 0.41 0.95 0.00 0.00 175.26 177.17 1wfm n GLY 77 N -1.35 6.38 3.02 -3.83 0.00 -1.26 -4.64 105.19 103.51 1wfm n GLY 77 Ca -0.01 -2.10 -0.31 0.00 0.00 0.00 0.00 46.02 43.60 1wfm n GLY 77 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1wfm s LEU 78 N 0.00 2.13 -0.16 0.99 1.43 -0.49 -4.85 118.68 117.74 1wfm s LEU 78 Ca 0.00 -0.77 -0.03 0.00 -1.03 0.00 0.00 54.13 52.30 1wfm s LEU 78 Cb 0.00 -1.25 -0.02 0.00 0.03 0.00 0.00 46.19 44.95 1wfm s LEU 78 CO 0.00 -0.11 -0.06 0.54 0.23 0.00 0.00 176.35 176.95 1wfm s VAL 79 N 1.40 3.62 0.00 -1.59 0.11 -1.25 0.24 120.40 122.94 1wfm s VAL 79 Ca 0.01 -0.45 0.06 0.00 -2.93 0.00 0.00 61.98 58.67 1wfm s VAL 79 Cb -0.15 -2.58 -0.02 0.00 -1.53 0.00 0.00 36.38 32.10 1wfm s VAL 79 CO -0.09 0.49 -0.18 -0.76 -3.33 0.00 0.00 175.10 171.23 1wfm s LEU 80 N 0.54 2.07 -0.09 2.54 1.43 0.50 -4.88 118.68 120.79 1wfm s LEU 80 Ca -0.04 -0.36 -0.30 0.00 -1.03 0.00 0.00 54.13 52.40 1wfm s LEU 80 Cb -0.15 -0.88 -0.03 0.00 0.03 0.00 0.00 46.19 45.17 1wfm s LEU 80 CO 0.03 0.19 1.24 -2.16 0.23 0.00 0.00 176.35 175.88 1wfm s PRO 81 N -0.60 4.30 -0.17 1.29 0.04 -1.26 0.22 135.00 138.82 1wfm s PRO 81 Ca 0.06 1.69 -0.10 0.00 0.04 0.00 0.00 61.00 62.70 1wfm s PRO 81 Cb -0.07 -3.64 0.06 0.00 0.04 0.00 0.00 34.50 30.89 1wfm s PRO 81 CO -0.00 -0.55 0.42 -1.17 0.04 0.00 0.00 177.00 175.74 1wfm s LEU 82 N 2.69 -0.06 0.44 -3.56 1.98 -0.30 -4.79 118.68 115.08 1wfm s LEU 82 Ca 0.56 0.91 -0.22 0.00 -2.89 0.00 0.00 54.13 52.50 1wfm s LEU 82 Cb -0.24 1.40 -0.09 0.00 0.66 0.00 0.00 46.19 47.92 1wfm s LEU 82 CO 0.20 -0.19 1.02 0.00 -1.89 0.00 0.00 176.35 175.49 1wfm s ALA 83 N 1.25 2.98 0.24 5.97 0.00 -1.26 -3.91 121.76 127.03 1wfm s ALA 83 Ca -0.08 0.59 0.35 0.00 0.00 0.00 0.00 51.96 52.81 1wfm s ALA 83 Cb -0.08 -3.24 1.55 0.00 0.00 0.00 0.00 23.12 21.36 1wfm s ALA 83 CO -0.11 -0.18 2.06 1.49 0.00 0.00 0.00 175.76 179.02 1wfm h GLU 84 N 1.96 0.00 -0.00 0.00 4.81 -1.94 -0.80 114.58 118.61 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 0.61 0.02 -0.11 -0.85 -0.73 0.00 0.00 179.01 177.95 1wfm n GLU 85 N -3.15 0.03 0.00 1.92 0.28 -1.26 -3.09 120.64 115.37 1wfm n GLU 85 Ca -0.00 -0.01 0.05 0.00 -0.16 0.00 0.00 57.16 57.04 1wfm n GLU 85 Cb 0.26 -1.50 -0.01 0.00 1.43 0.00 0.00 31.44 31.62 1wfm n GLU 85 CO 0.00 0.00 0.00 0.39 -0.16 0.00 0.00 177.13 177.36 1wfm n GLU 86 N -1.48 2.44 -0.29 3.44 1.02 -0.38 -4.61 120.64 120.79 1wfm n GLU 86 Ca 0.07 -0.48 0.03 0.00 -0.02 0.00 0.00 57.16 56.76 1wfm n GLU 86 Cb 0.33 -1.06 0.10 0.00 -0.02 0.00 0.00 31.44 30.80 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 0.89 -0.75 -0.73 -4.62 3.38 -1.28 2.13 115.31 114.33 1wfm h LEU 87 Ca 0.00 0.24 -0.02 0.00 0.09 0.00 0.00 57.88 58.20 1wfm h LEU 87 Cb 0.32 0.50 -0.00 0.00 0.09 0.00 0.00 40.66 41.57 1wfm h LEU 87 CO 0.00 -0.27 -0.07 1.55 0.09 0.00 0.00 178.44 179.74 1wfm h PRO 88 N 0.00 0.00 -0.49 1.13 0.13 -1.81 -2.83 132.00 128.12 1wfm h PRO 88 Ca 0.39 0.00 -0.07 0.00 -0.87 0.00 0.00 66.00 65.45 1wfm h PRO 88 Cb 0.60 0.00 -0.04 0.00 0.13 0.00 0.00 31.00 31.69 1wfm h PRO 88 CO -0.84 0.07 0.07 0.25 -0.23 0.00 0.00 178.00 177.33 1wfm n THR 89 N -3.15 2.64 -4.06 1.56 -2.24 0.49 -4.93 114.28 104.59 1wfm n THR 89 Ca 0.02 -1.75 -0.12 0.00 -2.27 0.00 0.00 64.05 59.93 1wfm n THR 89 Cb 0.44 -0.30 -0.11 0.00 -2.10 0.00 0.00 70.33 68.27 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 -2.90 0.53 0.02 6.98 0.00 0.60 -3.14 121.76 123.85 1wfm s ALA 90 Ca 0.50 -0.78 0.02 0.00 0.00 0.00 0.00 51.96 51.70 1wfm s ALA 90 Cb 0.40 0.07 -0.01 0.00 0.00 0.00 0.00 23.12 23.57 1wfm s ALA 90 CO 0.12 -0.06 -0.06 0.99 0.00 0.00 0.00 175.76 176.75 1wfm s THR 91 N -1.55 0.39 -0.31 0.00 2.01 -1.20 -4.39 115.64 110.60 1wfm s THR 91 Ca -0.09 -0.63 -0.06 0.00 0.31 0.00 0.00 61.69 61.22 1wfm s THR 91 Cb -0.09 -0.41 0.02 0.00 0.01 0.00 0.00 72.50 72.03 1wfm s THR 91 CO -0.00 -0.17 0.08 -0.22 -0.69 0.00 0.00 174.62 173.62 1wfm s LEU 92 N -0.86 3.96 -0.29 4.42 0.20 -1.13 -2.51 118.68 122.48 1wfm s LEU 92 Ca -0.05 -0.88 -0.03 0.00 0.69 0.00 0.00 54.13 53.86 1wfm s LEU 92 Cb -0.06 -1.86 0.04 0.00 -0.43 0.00 0.00 46.19 43.88 1wfm s LEU 92 CO -0.00 -0.24 0.00 -0.89 -0.29 0.00 0.00 176.35 174.94 1wfm s THR 93 N 1.45 3.15 0.42 3.68 2.01 -0.28 -0.24 115.64 125.83 1wfm s THR 93 Ca 0.01 -1.18 -0.21 0.00 0.31 0.00 0.00 61.69 60.62 1wfm s THR 93 Cb -0.18 -2.73 -0.11 0.00 0.01 0.00 0.00 72.50 69.50 1wfm s THR 93 CO 0.02 -0.01 0.94 -0.76 -0.69 0.00 0.00 174.62 174.12 1wfm s LEU 94 N 1.32 3.96 -0.10 4.42 1.02 0.14 -1.94 118.68 127.50 1wfm s LEU 94 Ca -0.02 1.67 -0.08 0.00 0.02 0.00 0.00 54.13 55.72 1wfm s LEU 94 Cb -0.19 -4.50 0.03 0.00 0.02 0.00 0.00 46.19 41.56 1wfm s LEU 94 CO -0.01 -0.34 0.25 -0.89 0.02 0.00 0.00 176.35 175.37 1wfm s THR 95 N -2.15 -0.01 -0.38 5.49 2.01 0.52 -0.33 115.64 120.79 1wfm s THR 95 Ca 0.61 0.03 0.01 0.00 0.31 0.00 0.00 61.69 62.65 1wfm s THR 95 Cb -0.09 -0.36 0.11 0.00 0.01 0.00 0.00 72.50 72.16 1wfm s THR 95 CO 0.14 0.01 0.13 -0.22 -0.69 0.00 0.00 174.62 173.99 1wfm s LEU 96 N 0.35 4.98 0.32 4.42 0.20 -0.20 0.20 118.68 128.95 1wfm s LEU 96 Ca -0.02 -2.15 0.01 0.00 0.69 0.00 0.00 54.13 52.66 1wfm s LEU 96 Cb -0.03 -1.72 -0.03 0.00 -0.43 0.00 0.00 46.19 43.97 1wfm s LEU 96 CO -0.01 -0.45 0.52 -0.13 -0.29 0.00 0.00 176.35 175.99 1wfm s ARG 97 N 0.95 3.49 -0.26 1.98 0.52 -1.16 0.43 118.95 124.90 1wfm s ARG 97 Ca 0.10 -0.37 -0.04 0.00 -0.52 0.00 0.00 55.73 54.90 1wfm s ARG 97 Cb -0.21 -2.70 0.01 0.00 0.52 0.00 0.00 34.95 32.57 1wfm s ARG 97 CO -0.06 0.20 0.00 0.95 0.02 0.00 0.00 175.30 176.41 1wfm s THR 98 N -2.24 3.46 -0.30 0.02 -4.23 -1.26 -2.92 115.64 108.17 1wfm s THR 98 Ca 0.39 -0.75 -0.38 0.00 -1.18 0.00 0.00 61.69 59.77 1wfm s THR 98 Cb -0.10 -2.73 -0.14 0.00 1.34 0.00 0.00 72.50 70.88 1wfm s THR 98 CO 0.34 0.21 1.94 0.00 -0.54 0.00 0.00 174.62 176.57 1wfm s ASP 100 N 5.04 -0.50 0.20 0.00 -4.77 -1.26 -4.20 116.67 111.18 1wfm s ASP 100 Ca 1.03 -0.11 -0.21 0.00 -3.30 0.00 0.00 52.55 49.96 1wfm s ASP 100 Cb -0.99 0.61 0.15 0.00 -1.09 0.00 0.00 42.92 41.60 1wfm s ASP 100 CO 0.59 -1.02 1.56 -0.09 0.70 0.00 0.00 175.17 176.91 1wfm h ARG 101 N 2.00 -0.07 -1.48 2.11 2.43 -2.05 -3.37 114.38 113.95 1wfm h ARG 101 Ca -0.31 0.00 -0.12 0.00 -0.81 0.00 0.00 59.98 58.74 1wfm h ARG 101 Cb 1.29 0.02 -0.26 0.00 -0.42 0.00 0.00 29.97 30.60 1wfm h ARG 101 CO 0.35 -0.05 -0.49 -0.06 -1.51 0.00 0.00 179.97 178.21 1wfm s PHE 102 N -5.90 -1.27 -0.65 2.20 0.08 -1.26 -5.03 117.98 106.16 1wfm s PHE 102 Ca -0.14 0.52 -0.04 0.00 0.12 0.00 0.00 56.93 57.39 1wfm s PHE 102 Cb 0.17 -0.01 -0.04 0.00 -0.57 0.00 0.00 43.02 42.57 1wfm s PHE 102 CO 0.69 -1.02 1.84 0.45 -0.10 0.00 0.00 175.22 177.07 1wfm n SER 103 N 5.32 3.63 -0.29 1.36 2.88 -1.26 -4.62 113.62 120.64 1wfm n SER 103 Ca 0.03 -2.22 -0.06 0.00 -1.33 0.00 0.00 58.87 55.29 1wfm n SER 103 Cb 0.51 -0.93 -0.01 0.00 -0.75 0.00 0.00 64.21 63.03 1wfm n SER 103 CO 0.00 0.00 0.00 0.03 -1.23 0.00 0.00 175.04 173.84 1wfm h ARG 104 N 6.59 -0.11 -6.64 -1.46 3.08 -1.96 -3.40 114.38 110.47 1wfm h ARG 104 Ca 0.35 0.01 -0.32 0.00 0.07 0.00 0.00 59.98 60.09 1wfm h ARG 104 Cb 0.16 0.02 0.19 0.00 0.08 0.00 0.00 29.97 30.42 1wfm h ARG 104 CO 1.27 -0.07 -0.20 0.72 -1.07 0.00 0.00 179.97 180.62 1wfm n HIS 105 N -5.42 -3.13 -0.80 3.04 8.25 -1.26 -4.52 115.22 111.38 1wfm n HIS 105 Ca 0.05 -0.49 -0.13 0.00 -0.26 0.00 0.00 57.72 56.89 1wfm n HIS 105 Cb 0.36 -1.38 0.10 0.00 1.12 0.00 0.00 29.99 30.19 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 -4.21 -1.32 -4.87 0.41 7.64 -1.26 -4.78 113.62 105.23 1wfm n SER 106 Ca 0.10 -0.82 -0.31 0.00 1.01 0.00 0.00 58.87 58.85 1wfm n SER 106 Cb 0.51 -0.43 0.00 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 -1.88 4.69 0.61 0.44 -7.23 -1.26 -4.92 120.40 110.85 1wfm s VAL 107 Ca 0.30 0.90 0.31 0.00 -1.81 0.00 0.00 61.98 61.68 1wfm s VAL 107 Cb -0.03 -3.84 0.36 0.00 0.56 0.00 0.00 36.38 33.43 1wfm s VAL 107 CO 0.23 -1.05 2.12 0.00 -0.31 0.00 0.00 175.10 176.08 1wfm h ALA 108 N -0.08 1.65 0.00 1.32 0.00 -0.37 -3.45 119.26 118.33 1wfm h ALA 108 Ca -0.45 -0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.46 1wfm h ALA 108 Cb 1.19 0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.99 1wfm h ALA 108 CO 0.62 -0.26 0.00 0.41 0.00 0.00 0.00 179.25 180.02 1wfm n GLY 109 N -1.34 1.66 2.95 0.00 0.00 -1.22 -4.70 105.19 102.53 1wfm n GLY 109 Ca 0.01 -0.70 -0.21 0.00 0.00 0.00 0.00 46.02 45.12 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 -2.00 1.05 -0.37 1.61 -6.30 -1.25 -1.03 118.70 110.41 1wfm s GLU 110 Ca 0.00 -0.22 -0.06 0.00 -2.50 0.00 0.00 54.97 52.19 1wfm s GLU 110 Cb 0.00 -0.97 0.07 0.00 0.00 0.00 0.00 34.13 33.23 1wfm s GLU 110 CO 0.00 -0.01 0.15 -1.17 0.02 0.00 0.00 175.26 174.25 1wfm s LEU 111 N 0.66 4.68 -0.02 2.70 1.98 0.55 0.14 118.68 129.36 1wfm s LEU 111 Ca -0.10 -1.46 -0.30 0.00 -2.89 0.00 0.00 54.13 49.38 1wfm s LEU 111 Cb -0.13 -1.86 -0.03 0.00 0.66 0.00 0.00 46.19 44.82 1wfm s LEU 111 CO 0.01 -0.42 1.03 -0.60 -1.89 0.00 0.00 176.35 174.48 1wfm s ARG 112 N 1.32 4.50 0.28 1.98 6.06 -1.26 0.28 118.95 132.11 1wfm s ARG 112 Ca 0.01 1.47 0.02 0.00 -2.50 0.00 0.00 55.73 54.74 1wfm s ARG 112 Cb -0.21 -3.47 -0.04 0.00 0.06 0.00 0.00 34.95 31.29 1wfm s ARG 112 CO 0.00 -0.16 0.15 -0.51 -2.50 0.00 0.00 175.30 172.28 1wfm s LEU 113 N 1.32 1.59 0.11 -0.88 1.43 0.67 -4.97 118.68 117.95 1wfm s LEU 113 Ca 0.52 -1.51 0.05 0.00 -1.03 0.00 0.00 54.13 52.16 1wfm s LEU 113 Cb -0.22 0.21 -0.04 0.00 0.03 0.00 0.00 46.19 46.17 1wfm s LEU 113 CO 0.25 -0.86 -0.12 -0.83 0.23 0.00 0.00 176.35 175.02 1wfm s GLY 114 N -3.33 0.96 -0.08 -3.19 0.00 -1.26 -2.84 107.32 97.58 1wfm s GLY 114 Ca 0.37 -1.23 0.05 0.00 0.00 0.00 0.00 44.72 43.91 1wfm s GLY 114 CO 0.16 -1.30 -0.00 1.04 0.00 0.00 0.00 173.10 173.01 1wfm n LEU 115 N 0.58 0.77 -0.32 0.66 7.99 -1.26 -4.45 117.00 120.97 1wfm n LEU 115 Ca -0.16 -0.01 0.35 0.00 -0.01 0.00 0.00 56.01 56.18 1wfm n LEU 115 Cb 0.57 0.05 0.65 0.00 -0.11 0.00 0.00 43.42 44.58 1wfm n LEU 115 CO 0.27 0.31 1.32 -0.78 -1.51 0.00 0.00 177.39 177.00 1wfm h ASP 116 N 0.00 0.00 0.00 -1.43 3.58 -1.77 -3.43 116.42 113.37 1wfm h ASP 116 Ca -0.21 0.00 0.00 0.00 0.42 0.00 0.00 57.03 57.24 1wfm h ASP 116 Cb 1.43 0.00 0.00 0.00 1.72 0.00 0.00 39.33 42.48 1wfm h ASP 116 CO -0.00 0.00 0.00 0.61 -2.88 0.00 0.00 179.24 176.97 1wfm n GLY 117 N -1.75 1.72 0.00 -0.78 0.00 -1.26 -4.87 105.19 98.25 1wfm n GLY 117 Ca 0.27 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.29 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 -0.67 0.00 -0.39 2.61 -1.04 -1.26 -4.73 114.28 108.80 1wfm n THR 118 Ca 0.00 0.00 -0.10 0.00 -2.04 0.00 0.00 64.05 61.91 1wfm n THR 118 Cb 0.00 -0.56 -0.09 0.00 -1.82 0.00 0.00 70.33 67.86 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 -0.75 -0.98 -4.00 8.00 7.64 -1.26 -4.43 113.62 117.84 1wfm n SER 119 Ca 0.00 1.66 -0.18 0.00 1.01 0.00 0.00 58.87 61.35 1wfm n SER 119 Cb 0.00 -0.22 -0.15 0.00 -1.01 0.00 0.00 64.21 62.83 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 -5.48 0.66 0.95 0.44 -7.23 -1.26 -4.97 120.40 103.50 1wfm s VAL 120 Ca -0.11 -0.33 -0.14 0.00 -1.81 0.00 0.00 61.98 59.59 1wfm s VAL 120 Cb 0.10 -0.56 0.16 0.00 0.56 0.00 0.00 36.38 36.64 1wfm s VAL 120 CO 0.58 0.19 1.16 -2.16 -0.31 0.00 0.00 175.10 174.56 1wfm s PRO 121 N -0.05 0.80 0.25 4.82 0.04 -1.26 -4.39 135.00 135.21 1wfm s PRO 121 Ca 0.01 0.16 -0.00 0.00 0.04 0.00 0.00 61.00 61.21 1wfm s PRO 121 Cb -0.05 -1.81 -0.04 0.00 0.04 0.00 0.00 34.50 32.64 1wfm s PRO 121 CO -0.00 -2.40 0.44 -0.51 0.04 0.00 0.00 177.00 174.57 1wfm s LEU 122 N -6.12 4.17 -1.62 -3.56 1.43 -1.26 -4.16 118.68 107.55 1wfm s LEU 122 Ca 0.66 0.40 0.00 0.00 -1.03 0.00 0.00 54.13 54.16 1wfm s LEU 122 Cb -0.13 -3.20 0.00 0.00 0.03 0.00 0.00 46.19 42.89 1wfm s LEU 122 CO 0.54 -0.13 0.00 0.61 0.23 0.00 0.00 176.35 177.60 1wfm n GLY 123 N -1.09 1.06 2.95 -3.19 0.00 0.53 -4.91 105.19 100.55 1wfm n GLY 123 Ca -0.05 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.66 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 -2.46 2.54 0.01 4.61 0.00 -1.25 -5.02 121.76 120.19 1wfm s ALA 124 Ca 0.00 -2.29 -0.30 0.00 0.00 0.00 0.00 51.96 49.37 1wfm s ALA 124 Cb 0.00 -1.87 -0.07 0.00 0.00 0.00 0.00 23.12 21.18 1wfm s ALA 124 CO 0.00 -1.67 1.71 0.00 0.00 0.00 0.00 175.76 175.80 1wfm s ALA 125 N 1.09 3.64 0.05 0.00 0.00 -1.26 -4.50 121.76 120.77 1wfm s ALA 125 Ca 0.10 1.11 -0.00 0.00 0.00 0.00 0.00 51.96 53.17 1wfm s ALA 125 Cb -0.19 -3.74 -0.03 0.00 0.00 0.00 0.00 23.12 19.16 1wfm s ALA 125 CO -0.12 -1.30 -0.03 1.14 0.00 0.00 0.00 175.76 175.44 1wfm s GLN 126 N 3.52 0.55 0.34 0.00 -2.07 -1.21 -5.05 119.66 115.74 1wfm s GLN 126 Ca 0.76 -1.05 0.03 0.00 -1.82 0.00 0.00 55.36 53.28 1wfm s GLN 126 Cb -0.38 0.13 -0.02 0.00 -1.09 0.00 0.00 33.01 31.66 1wfm s GLN 126 CO 0.33 -0.08 0.50 -1.58 -1.32 0.00 0.00 175.29 173.14 1wfm s TRP 127 N -3.16 3.33 -0.02 9.60 0.52 -1.26 -3.08 118.94 124.87 1wfm s TRP 127 Ca 0.01 0.08 -0.28 0.00 0.02 0.00 0.00 56.10 55.93 1wfm s TRP 127 Cb 0.02 -1.92 0.06 0.00 -1.15 0.00 0.00 33.47 30.49 1wfm s TRP 127 CO -0.07 0.08 0.63 0.20 0.02 0.00 0.00 176.95 177.81 1wfm s GLY 128 N -4.09 -0.54 -0.23 0.98 0.00 -0.25 -4.99 107.32 98.20 1wfm s GLY 128 Ca 0.41 1.12 -0.11 0.00 0.00 0.00 0.00 44.72 46.15 1wfm s GLY 128 CO 0.33 0.78 0.16 -0.54 0.00 0.00 0.00 173.10 173.83 1wfm s GLU 129 N -1.50 4.08 0.20 2.90 2.02 -1.26 0.18 118.70 125.33 1wfm s GLU 129 Ca -0.10 -0.25 -0.33 0.00 0.02 0.00 0.00 54.97 54.31 1wfm s GLU 129 Cb -0.01 -3.53 -0.14 0.00 0.10 0.00 0.00 34.13 30.56 1wfm s GLU 129 CO 0.07 0.08 1.50 1.28 0.02 0.00 0.00 175.26 178.21 1wfm n LEU 130 N 4.21 3.12 -3.94 1.80 4.77 0.32 -4.83 117.00 122.46 1wfm n LEU 130 Ca -0.15 1.11 -0.43 0.00 -0.03 0.00 0.00 56.01 56.51 1wfm n LEU 130 Cb 0.52 -1.43 0.01 0.00 -2.33 0.00 0.00 43.42 40.18 1wfm n LEU 130 CO 0.35 -0.37 1.74 0.29 -1.33 0.00 0.00 177.39 178.07 1wfm n LYS 131 N 2.76 3.78 -2.41 3.23 4.01 0.37 -4.64 118.16 125.25 1wfm n LYS 131 Ca 0.14 -3.77 -0.43 0.00 -0.51 0.00 0.00 58.31 53.75 1wfm n LYS 131 Cb 0.30 -2.84 -0.02 0.00 -0.51 0.00 0.00 35.03 31.96 1wfm n LYS 131 CO 0.00 0.00 0.00 0.95 -1.11 0.00 0.00 177.40 177.24 1wfm s THR 132 N -0.21 3.93 -0.02 -0.18 -4.23 -1.26 -3.78 115.64 109.90 1wfm s THR 132 Ca 0.38 0.92 -0.19 0.00 -1.18 0.00 0.00 61.69 61.62 1wfm s THR 132 Cb 0.08 -4.34 -0.10 0.00 1.34 0.00 0.00 72.50 69.47 1wfm s THR 132 CO 0.02 -0.91 0.79 -1.28 -0.54 0.00 0.00 174.62 172.71 1wfm h SER 133 N 10.50 -0.58 0.00 3.99 0.87 -1.92 -3.45 113.55 122.95 1wfm h SER 133 Ca -0.26 0.02 0.00 0.00 -1.23 0.00 0.00 61.79 60.32 1wfm h SER 133 Cb 1.09 0.15 0.00 0.00 -0.44 0.00 0.00 62.40 63.20 1wfm h SER 133 CO 1.12 -0.17 0.00 0.61 -0.53 0.00 0.00 176.83 177.85 1wfm n GLY 134 N 0.03 1.87 2.34 5.77 0.00 -1.26 -4.01 105.19 109.93 1wfm n GLY 134 Ca -0.08 -0.64 -0.21 0.00 0.00 0.00 0.00 46.02 45.08 1wfm n GLY 134 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 1wfm n PRO 135 N -0.44 2.29 -3.91 1.61 -0.04 -1.26 -4.42 135.00 128.84 1wfm n PRO 135 Ca 0.00 -1.38 -0.30 0.00 -0.04 0.00 0.00 63.50 61.78 1wfm n PRO 135 Cb 0.00 -2.32 -0.15 0.00 -0.04 0.00 0.00 33.50 30.99 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 2.62 4.20 0.70 3.54 0.01 -1.26 -4.65 113.70 118.86 1wfm s SER 136 Ca 0.52 -1.62 -0.18 0.00 1.31 0.00 0.00 55.95 55.98 1wfm s SER 136 Cb 0.18 -1.23 -0.14 0.00 0.21 0.00 0.00 66.02 65.03 1wfm s SER 136 CO -0.03 -0.33 -0.35 -0.24 0.41 0.00 0.00 173.24 172.70 1wfm n SER 137 N 4.59 -4.45 0.00 2.44 2.88 -1.26 -4.52 113.62 113.29 1wfm n SER 137 Ca -0.04 0.47 0.00 0.00 -1.33 0.00 0.00 58.87 57.97 1wfm n SER 137 Cb 0.43 -0.83 0.00 0.00 -0.75 0.00 0.00 64.21 63.05 1wfm n SER 137 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42