#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 -0.31 0.15 1.61 0.01 -1.26 -5.18 113.70 108.72 1wfm s SER 2 Ca 0.00 -0.30 -0.24 0.00 1.31 0.00 0.00 55.95 56.72 1wfm s SER 2 Cb 0.00 0.52 0.08 0.00 0.21 0.00 0.00 66.02 66.83 1wfm s SER 2 CO 0.00 -0.93 1.04 -0.44 0.41 0.00 0.00 173.24 173.32 1wfm s SER 3 N -2.81 -0.08 -0.29 2.44 0.01 -1.26 -5.19 113.70 106.53 1wfm s SER 3 Ca 0.04 -0.50 -0.30 0.00 1.31 0.00 0.00 55.95 56.51 1wfm s SER 3 Cb 0.01 0.45 0.19 0.00 0.21 0.00 0.00 66.02 66.88 1wfm s SER 3 CO -0.10 -0.87 1.36 -0.83 0.41 0.00 0.00 173.24 173.22 1wfm s GLY 4 N -3.17 0.07 -0.21 3.44 0.00 -1.26 -5.18 107.32 101.01 1wfm s GLY 4 Ca 0.17 2.76 -0.27 0.00 0.00 0.00 0.00 44.72 47.38 1wfm s GLY 4 CO 0.03 1.07 0.83 -1.35 0.00 0.00 0.00 173.10 173.67 1wfm s SER 5 N -1.11 -0.60 0.00 1.64 1.04 -1.26 -4.84 113.70 108.57 1wfm s SER 5 Ca 0.09 0.99 0.00 0.00 0.48 0.00 0.00 55.95 57.51 1wfm s SER 5 Cb -0.01 0.95 0.00 0.00 0.10 0.00 0.00 66.02 67.06 1wfm s SER 5 CO -0.08 -0.32 0.00 -1.54 0.98 0.00 0.00 173.24 172.28 1wfm n SER 6 N 1.89 0.00 0.00 7.02 3.41 -1.26 -5.02 113.62 119.66 1wfm n SER 6 Ca -0.14 0.00 0.00 0.00 -0.26 0.00 0.00 58.87 58.47 1wfm n SER 6 Cb 0.56 0.00 0.00 0.00 -0.26 0.00 0.00 64.21 64.51 1wfm n SER 6 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 1wfm n GLY 7 N 3.34 0.12 1.63 5.00 0.00 -1.26 -5.01 105.19 109.02 1wfm n GLY 7 Ca 0.00 -0.99 0.00 0.00 0.00 0.00 0.00 46.02 45.03 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 3.08 -6.13 -3.49 1.61 2.88 -1.26 -5.04 113.62 105.27 1wfm n SER 8 Ca 0.00 0.95 -0.14 0.00 -1.33 0.00 0.00 58.87 58.35 1wfm n SER 8 Cb 0.00 -3.33 -0.04 0.00 -0.75 0.00 0.00 64.21 60.08 1wfm n SER 8 CO 0.00 0.00 0.00 -1.66 -1.23 0.00 0.00 175.04 172.15 1wfm s TRP 9 N -0.32 -0.56 -0.02 0.66 -2.14 -1.26 -5.10 118.94 110.20 1wfm s TRP 9 Ca 0.00 0.74 -0.01 0.00 2.66 0.00 0.00 56.10 59.50 1wfm s TRP 9 Cb 0.00 0.47 -0.00 0.00 -3.10 0.00 0.00 33.47 30.84 1wfm s TRP 9 CO 0.00 -0.65 -0.01 -0.91 -2.66 0.00 0.00 176.95 172.72 1wfm h ASN 10 N 2.55 0.00 -3.67 -2.66 4.21 -2.03 -3.47 115.58 110.50 1wfm h ASN 10 Ca -0.28 0.00 -0.49 0.00 1.21 0.00 0.00 56.30 56.74 1wfm h ASN 10 Cb 1.20 0.00 0.04 0.00 -1.12 0.00 0.00 38.32 38.45 1wfm h ASN 10 CO 0.37 0.08 0.16 -1.10 -1.29 0.00 0.00 177.43 175.65 1wfm s GLN 11 N -1.12 3.38 0.18 0.81 -0.21 -1.26 -5.10 119.66 116.35 1wfm s GLN 11 Ca -0.01 0.20 0.11 0.00 0.02 0.00 0.00 55.36 55.68 1wfm s GLN 11 Cb 0.00 -2.32 -0.04 0.00 1.00 0.00 0.00 33.01 31.65 1wfm s GLN 11 CO 0.01 -0.37 -0.24 0.00 -2.12 0.00 0.00 175.29 172.57 1wfm s ALA 12 N -2.85 2.44 0.01 6.09 0.00 -1.26 -5.05 121.76 121.15 1wfm s ALA 12 Ca 0.50 -1.60 -0.30 0.00 0.00 0.00 0.00 51.96 50.56 1wfm s ALA 12 Cb -0.10 -0.32 -0.05 0.00 0.00 0.00 0.00 23.12 22.65 1wfm s ALA 12 CO 0.46 0.42 1.19 -1.25 0.00 0.00 0.00 175.76 176.57 1wfm s PRO 13 N -2.60 4.41 0.04 0.00 0.04 -1.26 -4.80 135.00 130.82 1wfm s PRO 13 Ca 0.19 1.71 0.05 0.00 0.04 0.00 0.00 61.00 63.00 1wfm s PRO 13 Cb -0.08 -3.44 -0.03 0.00 0.04 0.00 0.00 34.50 30.99 1wfm s PRO 13 CO 0.09 -0.31 -0.11 0.15 0.04 0.00 0.00 177.00 176.85 1wfm s LYS 14 N 1.50 2.30 -0.15 4.56 1.02 0.13 0.72 119.74 129.82 1wfm s LYS 14 Ca 0.57 -0.87 -0.04 0.00 0.02 0.00 0.00 55.97 55.65 1wfm s LYS 14 Cb -0.27 -2.35 0.06 0.00 -0.52 0.00 0.00 37.83 34.74 1wfm s LYS 14 CO 0.26 0.56 0.08 -1.17 -0.92 0.00 0.00 175.35 174.17 1wfm s LEU 15 N -1.57 0.37 0.20 3.17 2.96 0.94 0.22 118.68 124.96 1wfm s LEU 15 Ca 0.17 -0.51 -0.29 0.00 -0.22 0.00 0.00 54.13 53.28 1wfm s LEU 15 Cb -0.11 -0.25 -0.08 0.00 0.50 0.00 0.00 46.19 46.25 1wfm s LEU 15 CO 0.08 -0.33 0.91 -2.28 -1.32 0.00 0.00 176.35 173.41 1wfm s HIS 16 N 2.12 3.94 -0.26 5.38 5.65 0.44 -2.81 115.29 129.76 1wfm s HIS 16 Ca 0.02 1.84 -0.19 0.00 0.25 0.00 0.00 55.06 56.98 1wfm s HIS 16 Cb -0.15 -2.95 0.07 0.00 -1.18 0.00 0.00 32.58 28.37 1wfm s HIS 16 CO -0.08 0.43 0.67 1.52 -0.65 0.00 0.00 174.74 176.63 1wfm s TYR 17 N -0.97 -0.89 -0.36 3.88 -0.85 -1.12 -2.66 117.35 114.39 1wfm s TYR 17 Ca 0.41 1.94 -0.08 0.00 -0.52 0.00 0.00 57.07 58.82 1wfm s TYR 17 Cb -0.25 0.43 0.04 0.00 0.38 0.00 0.00 41.96 42.57 1wfm s TYR 17 CO 0.30 -0.44 0.15 0.00 -1.52 0.00 0.00 175.55 174.05 1wfm s LEU 19 N 1.43 4.35 -0.26 0.00 2.01 -1.25 -1.34 118.68 123.62 1wfm s LEU 19 Ca -0.00 1.30 -0.05 0.00 0.01 0.00 0.00 54.13 55.39 1wfm s LEU 19 Cb -0.20 -3.17 0.14 0.00 0.01 0.00 0.00 46.19 42.97 1wfm s LEU 19 CO 0.03 -0.10 0.51 -0.62 1.01 0.00 0.00 176.35 177.18 1wfm s ASP 20 N 0.61 -0.62 -0.33 2.29 -1.08 -0.65 0.20 116.67 117.09 1wfm s ASP 20 Ca 0.39 0.89 -0.12 0.00 -0.52 0.00 0.00 52.55 53.19 1wfm s ASP 20 Cb -0.19 1.72 -0.02 0.00 -1.46 0.00 0.00 42.92 42.97 1wfm s ASP 20 CO 0.20 -0.25 0.22 -0.47 0.52 0.00 0.00 175.17 175.39 1wfm s TYR 21 N 2.72 3.22 -1.02 -5.34 5.04 -1.26 -1.19 117.35 119.52 1wfm s TYR 21 Ca 0.07 -0.27 -0.16 0.00 -2.44 0.00 0.00 57.07 54.27 1wfm s TYR 21 Cb -0.14 -2.45 0.16 0.00 0.35 0.00 0.00 41.96 39.88 1wfm s TYR 21 CO -0.17 -0.37 1.20 0.34 -1.34 0.00 0.00 175.55 175.20 1wfm s ASP 22 N 1.70 6.83 0.44 4.32 -1.08 -1.01 -4.84 116.67 123.03 1wfm s ASP 22 Ca 0.06 -2.51 0.29 0.00 -0.52 0.00 0.00 52.55 49.87 1wfm s ASP 22 Cb -0.17 -2.37 1.40 0.00 -1.46 0.00 0.00 42.92 40.31 1wfm s ASP 22 CO 0.10 -0.87 1.64 0.00 0.52 0.00 0.00 175.17 176.56 1wfm h GLN 24 N 0.11 0.39 -0.12 0.00 1.08 -1.96 -1.32 115.11 113.29 1wfm h GLN 24 Ca 0.80 -0.02 0.00 0.00 -1.45 0.00 0.00 58.65 57.97 1wfm h GLN 24 Cb 2.48 -0.09 0.00 0.00 -0.05 0.00 0.00 27.48 29.82 1wfm h GLN 24 CO -0.40 0.26 0.00 1.63 -0.95 0.00 0.00 178.83 179.37 1wfm n LYS 25 N -4.93 2.15 -3.64 1.46 5.02 0.54 -4.92 118.16 113.84 1wfm n LYS 25 Ca 0.02 -1.69 -0.24 0.00 -2.02 0.00 0.00 58.31 54.38 1wfm n LYS 25 Cb 0.11 -1.47 -0.04 0.00 -0.02 0.00 0.00 35.03 33.61 1wfm n LYS 25 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 1wfm n ALA 26 N 0.99 -1.12 -3.18 7.82 0.00 0.68 -4.87 120.51 120.83 1wfm n ALA 26 Ca 0.17 -0.11 -0.22 0.00 0.00 0.00 0.00 53.44 53.28 1wfm n ALA 26 Cb 0.51 -1.69 -0.16 0.00 0.00 0.00 0.00 19.45 18.11 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 -6.25 1.26 0.78 0.00 0.41 -1.19 -2.07 118.70 111.64 1wfm s GLU 27 Ca 0.47 -0.36 -0.11 0.00 -0.41 0.00 0.00 54.97 54.55 1wfm s GLU 27 Cb -0.27 -1.12 0.06 0.00 -1.78 0.00 0.00 34.13 31.02 1wfm s GLU 27 CO 0.57 0.09 1.09 -1.17 -0.49 0.00 0.00 175.26 175.36 1wfm s LEU 28 N 0.36 2.67 -0.09 1.80 2.96 0.50 -2.42 118.68 124.46 1wfm s LEU 28 Ca -0.07 1.32 -0.08 0.00 -0.22 0.00 0.00 54.13 55.08 1wfm s LEU 28 Cb -0.11 -3.97 0.02 0.00 0.50 0.00 0.00 46.19 42.63 1wfm s LEU 28 CO 0.02 -1.88 0.23 -0.36 -1.32 0.00 0.00 176.35 173.04 1wfm s PHE 29 N -3.16 -0.26 -0.54 5.38 0.08 -0.33 -2.30 117.98 116.84 1wfm s PHE 29 Ca 0.60 0.63 0.04 0.00 0.12 0.00 0.00 56.93 58.33 1wfm s PHE 29 Cb -0.14 0.08 0.16 0.00 -0.57 0.00 0.00 43.02 42.56 1wfm s PHE 29 CO 0.54 -0.13 0.39 0.08 -0.10 0.00 0.00 175.22 176.00 1wfm s VAL 30 N 0.19 1.60 0.70 -0.44 1.01 0.33 -1.63 120.40 122.15 1wfm s VAL 30 Ca -0.01 -3.33 0.01 0.00 0.00 0.00 0.00 61.98 58.65 1wfm s VAL 30 Cb -0.02 -2.08 0.14 0.00 0.00 0.00 0.00 36.38 34.42 1wfm s VAL 30 CO -0.00 -1.08 0.96 0.35 0.00 0.00 0.00 175.10 175.32 1wfm n THR 31 N 2.58 0.00 -3.48 3.92 -2.24 -0.45 -0.41 114.28 114.20 1wfm n THR 31 Ca 0.22 -1.55 -0.19 0.00 -2.27 0.00 0.00 64.05 60.26 1wfm n THR 31 Cb 0.40 -0.88 0.07 0.00 -2.10 0.00 0.00 70.33 67.82 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 -2.75 -4.85 -2.88 -0.78 5.12 -1.26 0.20 116.66 109.47 1wfm n ARG 32 Ca 0.16 0.76 -0.41 0.00 -1.93 0.00 0.00 57.85 56.43 1wfm n ARG 32 Cb 0.57 -5.55 -0.04 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 -6.25 4.17 -0.26 0.55 1.43 -1.25 -2.92 118.68 114.14 1wfm s LEU 33 Ca 0.13 1.18 -0.01 0.00 -1.03 0.00 0.00 54.13 54.40 1wfm s LEU 33 Cb -0.02 -3.25 0.15 0.00 0.03 0.00 0.00 46.19 43.10 1wfm s LEU 33 CO 0.76 -0.41 0.42 -1.61 0.23 0.00 0.00 176.35 175.74 1wfm s GLU 34 N 2.21 0.40 0.16 1.70 2.02 -1.09 -1.08 118.70 123.03 1wfm s GLU 34 Ca 0.38 0.51 -0.30 0.00 0.02 0.00 0.00 54.97 55.58 1wfm s GLU 34 Cb -0.16 -0.26 -0.07 0.00 0.10 0.00 0.00 34.13 33.73 1wfm s GLU 34 CO 0.12 -0.74 0.96 0.00 0.02 0.00 0.00 175.26 175.61 1wfm s ALA 35 N 2.60 3.28 -0.56 5.21 0.00 0.81 -0.42 121.76 132.68 1wfm s ALA 35 Ca 0.13 0.60 0.07 0.00 0.00 0.00 0.00 51.96 52.76 1wfm s ALA 35 Cb -0.14 -3.25 0.25 0.00 0.00 0.00 0.00 23.12 19.97 1wfm s ALA 35 CO -0.20 0.06 0.66 0.28 0.00 0.00 0.00 175.76 176.56 1wfm n VAL 36 N 2.27 1.30 -3.20 0.00 0.31 0.58 -1.59 118.33 118.00 1wfm n VAL 36 Ca 0.01 -4.79 -0.11 0.00 -0.01 0.00 0.00 64.34 59.43 1wfm n VAL 36 Cb 0.48 -2.05 0.03 0.00 -0.91 0.00 0.00 33.84 31.39 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 1.09 0.00 -3.32 2.52 -2.24 -1.26 -0.69 114.28 110.39 1wfm n THR 37 Ca 0.27 -1.09 -0.11 0.00 -2.27 0.00 0.00 64.05 60.85 1wfm n THR 37 Cb 0.45 -0.61 -0.06 0.00 -2.10 0.00 0.00 70.33 68.01 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 -2.90 0.48 -0.28 3.42 1.04 -1.26 -4.69 113.70 109.50 1wfm s SER 38 Ca 0.29 -0.79 -0.27 0.00 0.48 0.00 0.00 55.95 55.66 1wfm s SER 38 Cb -0.02 1.01 0.18 0.00 0.10 0.00 0.00 66.02 67.29 1wfm s SER 38 CO 0.18 -0.31 1.35 0.21 0.98 0.00 0.00 173.24 175.66 1wfm s ASN 39 N 2.15 -0.09 -0.33 7.02 3.84 -1.26 -5.11 114.94 121.17 1wfm s ASN 39 Ca 0.12 0.13 0.04 0.00 0.21 0.00 0.00 52.86 53.36 1wfm s ASN 39 Cb -0.12 0.12 0.17 0.00 -0.55 0.00 0.00 41.25 40.86 1wfm s ASN 39 CO -0.20 -0.06 0.46 -2.28 -2.79 0.00 0.00 177.10 172.23 1wfm s HIS 40 N -0.55 -1.07 -0.30 0.43 2.46 -1.26 -4.89 115.29 110.11 1wfm s HIS 40 Ca 0.07 0.15 0.06 0.00 0.47 0.00 0.00 55.06 55.81 1wfm s HIS 40 Cb -0.03 -0.08 0.20 0.00 -0.13 0.00 0.00 32.58 32.54 1wfm s HIS 40 CO -0.10 -1.03 0.58 0.34 -2.47 0.00 0.00 174.74 172.07 1wfm s ASP 41 N 2.22 -1.54 0.00 9.88 -1.08 -1.26 -5.14 116.67 119.76 1wfm s ASP 41 Ca 0.12 0.09 0.00 0.00 -0.52 0.00 0.00 52.55 52.24 1wfm s ASP 41 Cb -0.11 1.99 0.00 0.00 -1.46 0.00 0.00 42.92 43.34 1wfm s ASP 41 CO -0.20 -0.29 0.00 0.61 0.52 0.00 0.00 175.17 175.80 1wfm n GLY 42 N 5.34 0.26 2.26 2.66 0.00 -1.26 -4.94 105.19 109.51 1wfm n GLY 42 Ca 0.05 -2.29 -0.23 0.00 0.00 0.00 0.00 46.02 43.55 1wfm n GLY 42 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1wfm n GLY 43 N 0.00 2.53 3.41 -0.02 0.00 -1.26 -5.11 105.19 104.74 1wfm n GLY 43 Ca 0.00 -1.39 -0.21 0.00 0.00 0.00 0.00 46.02 44.42 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 -3.41 5.67 0.22 0.00 1.11 -1.26 -4.45 116.67 114.56 1wfm s ASP 45 Ca 0.27 0.02 -0.07 0.00 0.18 0.00 0.00 52.55 52.95 1wfm s ASP 45 Cb 0.00 -2.00 -0.06 0.00 1.07 0.00 0.00 42.92 41.93 1wfm s ASP 45 CO 0.11 0.08 0.50 0.00 1.18 0.00 0.00 175.17 177.04 1wfm s TYR 47 N -1.85 -0.28 0.21 0.00 -0.85 -0.99 -1.41 117.35 112.18 1wfm s TYR 47 Ca 0.44 0.36 -0.09 0.00 -0.52 0.00 0.00 57.07 57.26 1wfm s TYR 47 Cb -0.11 0.19 -0.07 0.00 0.38 0.00 0.00 41.96 42.35 1wfm s TYR 47 CO 0.25 -0.51 0.53 0.08 -1.52 0.00 0.00 175.55 174.38 1wfm s VAL 48 N -1.87 4.96 -0.05 -3.49 1.01 -1.26 -2.73 120.40 116.96 1wfm s VAL 48 Ca -0.09 0.44 -0.01 0.00 0.00 0.00 0.00 61.98 62.31 1wfm s VAL 48 Cb -0.02 -3.62 0.03 0.00 0.00 0.00 0.00 36.38 32.76 1wfm s VAL 48 CO 0.02 -0.04 0.03 -1.58 0.00 0.00 0.00 175.10 173.54 1wfm s GLN 49 N -2.74 0.18 -0.24 2.72 0.74 0.10 -2.18 119.66 118.24 1wfm s GLN 49 Ca 0.46 0.26 -0.07 0.00 0.05 0.00 0.00 55.36 56.06 1wfm s GLN 49 Cb -0.11 -0.65 -0.03 0.00 1.10 0.00 0.00 33.01 33.32 1wfm s GLN 49 CO 0.21 -0.30 0.05 0.20 -0.55 0.00 0.00 175.29 174.90 1wfm s GLY 50 N 1.96 1.74 0.14 2.59 0.00 0.30 0.72 107.32 114.77 1wfm s GLY 50 Ca 0.03 -1.11 0.10 0.00 0.00 0.00 0.00 44.72 43.74 1wfm s GLY 50 CO -0.04 0.48 -0.24 -0.45 0.00 0.00 0.00 173.10 172.86 1wfm s SER 51 N 1.51 3.06 0.15 1.64 0.15 -1.16 0.74 113.70 119.79 1wfm s SER 51 Ca 0.06 -0.77 0.01 0.00 0.70 0.00 0.00 55.95 55.94 1wfm s SER 51 Cb -0.15 -0.20 -0.04 0.00 -1.71 0.00 0.00 66.02 63.92 1wfm s SER 51 CO 0.02 0.11 0.02 -0.69 1.20 0.00 0.00 173.24 173.90 1wfm s VAL 52 N -1.34 0.45 -0.13 4.45 1.01 -0.30 -1.16 120.40 123.37 1wfm s VAL 52 Ca 0.14 -1.95 -0.04 0.00 0.00 0.00 0.00 61.98 60.13 1wfm s VAL 52 Cb -0.09 -2.07 0.05 0.00 0.00 0.00 0.00 36.38 34.27 1wfm s VAL 52 CO 0.06 -0.49 0.07 0.00 0.00 0.00 0.00 175.10 174.75 1wfm s ALA 53 N -3.81 0.45 0.57 5.51 0.00 -1.08 -0.49 121.76 122.91 1wfm s ALA 53 Ca 0.23 -0.21 0.05 0.00 0.00 0.00 0.00 51.96 52.04 1wfm s ALA 53 Cb 0.07 -0.92 0.05 0.00 0.00 0.00 0.00 23.12 22.32 1wfm s ALA 53 CO 0.03 -0.95 0.45 0.54 0.00 0.00 0.00 175.76 175.82 1wfm s ASN 54 N 2.11 4.63 0.00 0.00 2.20 0.63 -3.27 114.94 121.24 1wfm s ASN 54 Ca 0.03 -1.28 0.24 0.00 -0.94 0.00 0.00 52.86 50.90 1wfm s ASN 54 Cb -0.15 0.57 1.30 0.00 -2.00 0.00 0.00 41.25 40.97 1wfm s ASN 54 CO -0.07 -1.21 1.79 -1.14 -2.94 0.00 0.00 177.10 173.53 1wfm n ARG 55 N -1.86 0.52 -0.01 3.55 0.63 -1.26 -2.26 116.66 115.98 1wfm n ARG 55 Ca -0.01 0.04 0.08 0.00 -0.92 0.00 0.00 57.85 57.04 1wfm n ARG 55 Cb 0.64 -1.50 -0.13 0.00 0.45 0.00 0.00 32.46 31.93 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 -1.16 0.00 0.00 5.15 -2.24 -1.26 -5.09 114.28 109.68 1wfm n THR 56 Ca 0.14 -0.34 0.00 0.00 -2.27 0.00 0.00 64.05 61.59 1wfm n THR 56 Cb 0.14 0.28 0.00 0.00 -2.10 0.00 0.00 70.33 68.66 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 1.50 -0.41 3.58 3.38 0.00 -0.96 -5.15 105.19 107.13 1wfm n GLY 57 Ca -0.02 -0.07 -0.10 0.00 0.00 0.00 0.00 46.02 45.83 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 -0.38 0.23 1.61 1.04 -1.26 -0.27 113.70 110.67 1wfm s SER 58 Ca 0.00 -0.33 0.02 0.00 0.48 0.00 0.00 55.95 56.12 1wfm s SER 58 Cb 0.00 0.63 -0.05 0.00 0.10 0.00 0.00 66.02 66.70 1wfm s SER 58 CO 0.00 -1.10 0.04 0.68 0.98 0.00 0.00 173.24 173.84 1wfm s VAL 59 N -3.84 0.73 -0.18 5.02 -7.23 0.35 -4.94 120.40 110.32 1wfm s VAL 59 Ca 0.06 -2.00 -0.18 0.00 -1.81 0.00 0.00 61.98 58.06 1wfm s VAL 59 Cb -0.02 -2.43 0.05 0.00 0.56 0.00 0.00 36.38 34.54 1wfm s VAL 59 CO -0.04 -0.21 0.50 -1.61 -0.31 0.00 0.00 175.10 173.42 1wfm s GLU 60 N -3.95 0.60 0.24 4.82 2.02 -1.26 -1.15 118.70 120.02 1wfm s GLU 60 Ca 0.32 0.65 -0.12 0.00 0.02 0.00 0.00 54.97 55.84 1wfm s GLU 60 Cb 0.07 0.29 -0.01 0.00 0.10 0.00 0.00 34.13 34.59 1wfm s GLU 60 CO 0.10 -0.08 0.44 0.00 0.02 0.00 0.00 175.26 175.74 1wfm s ALA 61 N 0.16 -0.17 0.36 5.21 0.00 0.23 -4.96 121.76 122.58 1wfm s ALA 61 Ca -0.01 -0.90 -0.17 0.00 0.00 0.00 0.00 51.96 50.89 1wfm s ALA 61 Cb -0.03 1.06 0.05 0.00 0.00 0.00 0.00 23.12 24.20 1wfm s ALA 61 CO 0.01 -0.82 0.80 1.14 0.00 0.00 0.00 175.76 176.89 1wfm s GLN 62 N -4.02 2.12 0.51 0.00 1.03 -1.26 0.11 119.66 118.16 1wfm s GLN 62 Ca 0.22 -1.34 0.04 0.00 0.04 0.00 0.00 55.36 54.32 1wfm s GLN 62 Cb 0.00 0.61 0.01 0.00 0.03 0.00 0.00 33.01 33.66 1wfm s GLN 62 CO 0.08 -0.99 0.24 0.95 -2.54 0.00 0.00 175.29 173.03 1wfm s THR 63 N -2.48 1.59 0.19 3.63 -4.23 -0.93 -4.88 115.64 108.54 1wfm s THR 63 Ca 0.15 -1.69 -0.30 0.00 -1.18 0.00 0.00 61.69 58.68 1wfm s THR 63 Cb -0.05 -2.27 -0.08 0.00 1.34 0.00 0.00 72.50 71.43 1wfm s THR 63 CO 0.10 0.00 1.25 0.00 -0.54 0.00 0.00 174.62 175.44 1wfm s ALA 64 N -2.78 3.48 0.92 3.99 0.00 -1.26 -4.70 121.76 121.41 1wfm s ALA 64 Ca 0.26 1.03 -0.17 0.00 0.00 0.00 0.00 51.96 53.08 1wfm s ALA 64 Cb -0.00 -3.45 -0.14 0.00 0.00 0.00 0.00 23.12 19.53 1wfm s ALA 64 CO 0.15 -0.46 -0.65 1.28 0.00 0.00 0.00 175.76 176.08 1wfm n LEU 65 N 2.54 -5.43 -4.02 0.00 7.99 -1.26 -4.90 117.00 111.91 1wfm n LEU 65 Ca 0.05 0.26 -0.09 0.00 -0.01 0.00 0.00 56.01 56.22 1wfm n LEU 65 Cb 0.44 -0.79 -0.08 0.00 -0.11 0.00 0.00 43.42 42.87 1wfm n LEU 65 CO 0.57 -5.76 -0.13 -0.54 -1.51 0.00 0.00 177.39 170.02 1wfm s LYS 66 N -1.92 1.03 -0.31 3.23 -0.14 -0.50 -4.99 119.74 116.14 1wfm s LYS 66 Ca 0.43 -1.25 -0.19 0.00 -1.36 0.00 0.00 55.97 53.60 1wfm s LYS 66 Cb -0.23 0.32 -0.01 0.00 -1.68 0.00 0.00 37.83 36.23 1wfm s LYS 66 CO 0.80 -0.34 0.55 0.21 -0.76 0.00 0.00 175.35 175.80 1wfm s LYS 67 N -3.99 3.82 -0.43 1.68 2.20 -1.26 -2.43 119.74 119.33 1wfm s LYS 67 Ca 0.18 0.09 -0.45 0.00 -0.36 0.00 0.00 55.97 55.44 1wfm s LYS 67 Cb 0.05 -3.74 -0.19 0.00 -1.51 0.00 0.00 37.83 32.44 1wfm s LYS 67 CO -0.01 -0.55 1.62 0.54 -0.36 0.00 0.00 175.35 176.59 1wfm n ARG 68 N 5.74 0.27 -4.14 4.03 1.74 -1.26 -4.85 116.66 118.17 1wfm n ARG 68 Ca -0.04 0.10 -0.09 0.00 -0.77 0.00 0.00 57.85 57.05 1wfm n ARG 68 Cb 0.49 -1.64 -0.10 0.00 -1.02 0.00 0.00 32.46 30.19 1wfm n ARG 68 CO 0.00 0.00 0.00 -0.65 -1.52 0.00 0.00 177.63 175.46 1wfm s GLN 69 N 3.02 0.90 0.49 5.56 -1.52 -1.26 -5.01 119.66 121.86 1wfm s GLN 69 Ca 1.03 -1.42 0.33 0.00 -1.95 0.00 0.00 55.36 53.35 1wfm s GLN 69 Cb -1.39 0.24 1.80 0.00 -0.22 0.00 0.00 33.01 33.43 1wfm s GLN 69 CO 0.77 -0.25 2.02 1.25 -0.25 0.00 0.00 175.29 178.83 1wfm h LEU 70 N 2.88 0.00 -5.12 2.90 7.12 -1.91 -3.32 115.31 117.86 1wfm h LEU 70 Ca -0.35 0.00 -0.09 0.00 0.13 0.00 0.00 57.88 57.57 1wfm h LEU 70 Cb 1.19 0.00 -0.16 0.00 -0.53 0.00 0.00 40.66 41.16 1wfm h LEU 70 CO 0.59 0.00 -0.39 -2.28 -0.13 0.00 0.00 178.44 176.23 1wfm s HIS 71 N -3.84 -1.31 0.41 1.25 2.46 -1.26 -4.15 115.29 108.85 1wfm s HIS 71 Ca -0.04 -0.35 -0.24 0.00 0.47 0.00 0.00 55.06 54.91 1wfm s HIS 71 Cb 0.10 0.26 -0.09 0.00 -0.13 0.00 0.00 32.58 32.71 1wfm s HIS 71 CO 0.31 -1.01 1.06 0.99 -2.47 0.00 0.00 174.74 173.62 1wfm s THR 72 N 1.05 3.68 0.03 0.89 2.01 -0.62 -4.86 115.64 117.82 1wfm s THR 72 Ca 0.26 1.27 0.01 0.00 0.31 0.00 0.00 61.69 63.55 1wfm s THR 72 Cb 0.02 -3.65 -0.02 0.00 0.01 0.00 0.00 72.50 68.87 1wfm s THR 72 CO -0.07 -0.01 -0.06 0.42 -0.69 0.00 0.00 174.62 174.22 1wfm s THR 73 N -1.67 0.34 0.15 -0.82 -4.23 -1.26 -0.14 115.64 108.01 1wfm s THR 73 Ca 0.59 -1.01 0.09 0.00 -1.18 0.00 0.00 61.69 60.18 1wfm s THR 73 Cb -0.22 -0.46 -0.04 0.00 1.34 0.00 0.00 72.50 73.12 1wfm s THR 73 CO 0.28 -0.44 -0.14 0.26 -0.54 0.00 0.00 174.62 174.03 1wfm s TRP 74 N -1.44 2.57 -0.11 3.99 0.51 -0.24 -4.99 118.94 119.22 1wfm s TRP 74 Ca -0.13 -0.25 0.16 0.00 -2.12 0.00 0.00 56.10 53.77 1wfm s TRP 74 Cb -0.10 -1.30 -0.13 0.00 -0.81 0.00 0.00 33.47 31.13 1wfm s TRP 74 CO -0.00 0.46 0.88 0.93 -0.51 0.00 0.00 176.95 178.71 1wfm h GLU 75 N 3.28 0.00 -6.02 4.98 5.08 -1.98 -3.41 114.58 116.52 1wfm h GLU 75 Ca -0.48 0.00 -0.56 0.00 -1.00 0.00 0.00 59.36 57.32 1wfm h GLU 75 Cb 1.19 0.00 -0.09 0.00 0.50 0.00 0.00 28.75 30.35 1wfm h GLU 75 CO 0.50 0.35 -0.55 -1.83 -1.00 0.00 0.00 179.01 176.49 1wfm s GLU 76 N -2.89 2.25 0.47 2.33 -1.05 -1.26 -4.96 118.70 113.59 1wfm s GLU 76 Ca -0.02 -1.69 0.03 0.00 -0.15 0.00 0.00 54.97 53.14 1wfm s GLU 76 Cb 0.09 -2.06 -0.04 0.00 -0.44 0.00 0.00 34.13 31.68 1wfm s GLU 76 CO 0.81 0.05 0.01 0.20 0.95 0.00 0.00 175.26 177.27 1wfm s GLY 77 N -3.83 2.82 0.61 -3.83 0.00 -1.26 -4.61 107.32 97.22 1wfm s GLY 77 Ca 0.38 -1.11 0.03 0.00 0.00 0.00 0.00 44.72 44.02 1wfm s GLY 77 CO 0.22 -2.16 0.85 1.08 0.00 0.00 0.00 173.10 173.09 1wfm s LEU 78 N -3.81 3.15 -0.30 0.66 1.43 0.45 -4.81 118.68 115.46 1wfm s LEU 78 Ca 0.17 -0.39 -0.13 0.00 -1.03 0.00 0.00 54.13 52.75 1wfm s LEU 78 Cb 0.05 -2.21 0.16 0.00 0.03 0.00 0.00 46.19 44.22 1wfm s LEU 78 CO 0.09 -1.44 0.90 0.54 0.23 0.00 0.00 176.35 176.66 1wfm s VAL 79 N -2.85 -0.63 -0.06 -1.59 0.11 -1.26 0.12 120.40 114.24 1wfm s VAL 79 Ca 0.62 0.00 0.01 0.00 -2.93 0.00 0.00 61.98 59.68 1wfm s VAL 79 Cb -0.07 -1.00 -0.03 0.00 -1.53 0.00 0.00 36.38 33.75 1wfm s VAL 79 CO 0.40 0.00 -0.09 -0.76 -3.33 0.00 0.00 175.10 171.33 1wfm s LEU 80 N 2.62 3.06 0.02 2.54 2.01 -0.97 -4.83 118.68 123.13 1wfm s LEU 80 Ca -0.01 -0.06 -0.30 0.00 0.01 0.00 0.00 54.13 53.76 1wfm s LEU 80 Cb -0.08 -1.66 -0.05 0.00 0.01 0.00 0.00 46.19 44.41 1wfm s LEU 80 CO -0.17 0.36 1.19 -2.16 1.01 0.00 0.00 176.35 176.57 1wfm s PRO 81 N -0.78 4.42 0.04 1.29 0.04 -1.26 0.19 135.00 138.93 1wfm s PRO 81 Ca 0.12 1.72 -0.21 0.00 0.04 0.00 0.00 61.00 62.66 1wfm s PRO 81 Cb -0.11 -3.42 0.05 0.00 0.04 0.00 0.00 34.50 31.05 1wfm s PRO 81 CO 0.01 -0.30 0.49 -1.17 0.04 0.00 0.00 177.00 176.07 1wfm s LEU 82 N 1.43 0.05 -0.11 -3.56 2.96 -0.88 -4.89 118.68 113.68 1wfm s LEU 82 Ca 0.57 0.16 -0.05 0.00 -0.22 0.00 0.00 54.13 54.59 1wfm s LEU 82 Cb -0.27 2.02 -0.04 0.00 0.50 0.00 0.00 46.19 48.40 1wfm s LEU 82 CO 0.27 -0.69 0.08 0.00 -1.32 0.00 0.00 176.35 174.69 1wfm s ALA 83 N -2.34 3.63 0.64 5.97 0.00 -1.26 -4.09 121.76 124.31 1wfm s ALA 83 Ca -0.06 -0.71 0.30 0.00 0.00 0.00 0.00 51.96 51.49 1wfm s ALA 83 Cb -0.01 -1.77 1.61 0.00 0.00 0.00 0.00 23.12 22.95 1wfm s ALA 83 CO -0.01 0.60 1.94 1.49 0.00 0.00 0.00 175.76 179.78 1wfm h GLU 84 N 5.08 0.00 0.00 0.00 4.81 -1.93 1.56 114.58 124.10 1wfm h GLU 84 Ca -0.53 0.00 0.00 0.00 -0.13 0.00 0.00 59.36 58.70 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 0.57 0.00 -0.27 1.05 -0.73 0.00 0.00 179.01 179.62 1wfm h GLU 85 N 0.00 0.00 -0.38 1.92 4.11 -2.03 -3.17 114.58 115.03 1wfm h GLU 85 Ca 0.06 0.00 0.00 0.00 0.07 0.00 0.00 59.36 59.49 1wfm h GLU 85 Cb 0.76 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.01 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 -2.34 2.98 0.03 1.06 1.02 0.52 -4.55 120.64 119.37 1wfm n GLU 86 Ca 0.04 -2.38 -0.13 0.00 -0.02 0.00 0.00 57.16 54.67 1wfm n GLU 86 Cb 0.45 -1.50 -0.09 0.00 -0.02 0.00 0.00 31.44 30.28 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 2.31 -0.06 -0.07 -4.62 3.38 -1.27 0.11 115.31 115.09 1wfm h LEU 87 Ca 0.00 -0.30 0.00 0.00 0.09 0.00 0.00 57.88 57.67 1wfm h LEU 87 Cb 1.01 0.02 0.00 0.00 0.09 0.00 0.00 40.66 41.78 1wfm h LEU 87 CO 0.08 0.27 0.00 -0.81 0.09 0.00 0.00 178.44 178.07 1wfm n PRO 88 N -4.97 0.05 -0.61 1.13 -0.04 -1.26 -2.58 135.00 126.72 1wfm n PRO 88 Ca -0.08 0.16 0.02 0.00 -0.04 0.00 0.00 63.50 63.56 1wfm n PRO 88 Cb 0.19 -1.57 0.20 0.00 -0.04 0.00 0.00 33.50 32.29 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 -1.65 2.34 -4.12 0.52 -2.24 -1.04 -4.95 114.28 103.14 1wfm n THR 89 Ca 0.05 -2.72 -0.08 0.00 -2.27 0.00 0.00 64.05 59.03 1wfm n THR 89 Cb 0.27 -0.28 -0.10 0.00 -2.10 0.00 0.00 70.33 68.12 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 -3.15 0.70 -0.13 6.98 0.00 -0.00 -4.26 121.76 121.90 1wfm s ALA 90 Ca 0.41 -1.30 -0.14 0.00 0.00 0.00 0.00 51.96 50.93 1wfm s ALA 90 Cb 0.37 0.39 0.04 0.00 0.00 0.00 0.00 23.12 23.92 1wfm s ALA 90 CO -0.01 -0.37 0.38 0.99 0.00 0.00 0.00 175.76 176.76 1wfm s THR 91 N -3.89 0.01 0.01 0.00 2.01 -1.20 -4.45 115.64 108.13 1wfm s THR 91 Ca 0.12 -0.05 -0.01 0.00 0.31 0.00 0.00 61.69 62.06 1wfm s THR 91 Cb 0.07 -0.55 -0.04 0.00 0.01 0.00 0.00 72.50 71.99 1wfm s THR 91 CO -0.06 -0.03 0.18 -0.22 -0.69 0.00 0.00 174.62 173.80 1wfm s LEU 92 N 0.04 4.30 -0.31 4.42 2.96 -1.10 -2.65 118.68 126.34 1wfm s LEU 92 Ca -0.01 0.29 0.00 0.00 -0.22 0.00 0.00 54.13 54.19 1wfm s LEU 92 Cb -0.03 -2.68 0.14 0.00 0.50 0.00 0.00 46.19 44.12 1wfm s LEU 92 CO 0.01 0.23 0.30 -0.89 -1.32 0.00 0.00 176.35 174.68 1wfm s THR 93 N -1.37 -0.34 -0.05 3.68 2.01 -0.31 -1.40 115.64 117.86 1wfm s THR 93 Ca 0.29 -0.68 -0.30 0.00 0.31 0.00 0.00 61.69 61.32 1wfm s THR 93 Cb -0.13 -0.92 -0.03 0.00 0.01 0.00 0.00 72.50 71.43 1wfm s THR 93 CO 0.21 -0.54 1.13 -0.76 -0.69 0.00 0.00 174.62 173.97 1wfm s LEU 94 N 2.08 4.29 -0.09 4.42 1.43 0.74 -3.01 118.68 128.54 1wfm s LEU 94 Ca 0.11 1.75 0.04 0.00 -1.03 0.00 0.00 54.13 55.01 1wfm s LEU 94 Cb -0.15 -3.56 -0.00 0.00 0.03 0.00 0.00 46.19 42.51 1wfm s LEU 94 CO -0.25 -0.50 -0.24 0.42 0.23 0.00 0.00 176.35 176.02 1wfm s THR 95 N 1.87 2.12 -0.60 5.49 -4.23 0.22 0.34 115.64 120.86 1wfm s THR 95 Ca 0.54 -1.01 -0.15 0.00 -1.18 0.00 0.00 61.69 59.88 1wfm s THR 95 Cb -0.23 -1.80 0.15 0.00 1.34 0.00 0.00 72.50 71.96 1wfm s THR 95 CO 0.23 0.56 0.55 -0.22 -0.54 0.00 0.00 174.62 175.20 1wfm s LEU 96 N 0.17 6.29 0.06 4.79 2.96 0.20 -0.72 118.68 132.43 1wfm s LEU 96 Ca -0.13 -1.98 0.01 0.00 -0.22 0.00 0.00 54.13 51.81 1wfm s LEU 96 Cb -0.16 -2.20 -0.04 0.00 0.50 0.00 0.00 46.19 44.28 1wfm s LEU 96 CO 0.07 -0.80 0.14 -0.13 -1.32 0.00 0.00 176.35 174.32 1wfm s ARG 97 N 1.30 3.17 -0.14 1.98 3.00 -1.11 0.19 118.95 127.34 1wfm s ARG 97 Ca 0.06 -0.54 -0.07 0.00 0.00 0.00 0.00 55.73 55.18 1wfm s ARG 97 Cb -0.26 -2.90 -0.04 0.00 0.00 0.00 0.00 34.95 31.75 1wfm s ARG 97 CO 0.01 0.60 0.09 0.95 0.00 0.00 0.00 175.30 176.94 1wfm s THR 98 N -1.42 5.04 0.61 0.02 -4.23 -1.26 -2.35 115.64 112.05 1wfm s THR 98 Ca 0.31 0.04 -0.18 0.00 -1.18 0.00 0.00 61.69 60.69 1wfm s THR 98 Cb -0.13 -3.22 -0.14 0.00 1.34 0.00 0.00 72.50 70.36 1wfm s THR 98 CO 0.24 0.54 -0.15 0.00 -0.54 0.00 0.00 174.62 174.72 1wfm n ASP 100 N 2.32 1.06 0.00 0.00 5.75 -1.26 -4.77 116.55 119.65 1wfm n ASP 100 Ca 0.07 1.15 -0.00 0.00 -0.01 0.00 0.00 54.79 56.00 1wfm n ASP 100 Cb 0.49 -0.98 -0.00 0.00 -1.03 0.00 0.00 41.12 39.59 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 3.16 0.01 -0.19 0.11 3.00 -1.26 -4.94 116.66 116.54 1wfm n ARG 101 Ca 0.25 0.00 0.01 0.00 -0.00 0.00 0.00 57.85 58.10 1wfm n ARG 101 Cb 0.06 -0.14 0.01 0.00 0.00 0.00 0.00 32.46 32.39 1wfm n ARG 101 CO 0.00 0.00 0.00 1.19 0.00 0.00 0.00 177.63 178.82 1wfm n PHE 102 N -2.58 0.00 -3.36 -0.14 3.72 -1.26 -5.02 117.46 108.82 1wfm n PHE 102 Ca -0.00 -0.09 -0.16 0.00 -0.05 0.00 0.00 57.45 57.15 1wfm n PHE 102 Cb 0.01 -0.03 0.08 0.00 -0.94 0.00 0.00 39.48 38.60 1wfm n PHE 102 CO 0.00 0.00 0.00 0.45 -0.05 0.00 0.00 176.76 177.16 1wfm n SER 103 N -0.11 -3.47 0.00 4.37 2.88 -1.26 -4.85 113.62 111.18 1wfm n SER 103 Ca 0.01 -0.64 0.00 0.00 -1.33 0.00 0.00 58.87 56.91 1wfm n SER 103 Cb 0.57 -5.12 0.00 0.00 -0.75 0.00 0.00 64.21 58.91 1wfm n SER 103 CO 0.00 0.00 0.00 -2.11 -1.23 0.00 0.00 175.04 171.70 1wfm n ARG 104 N -3.82 0.00 -1.47 -1.46 1.85 -1.26 -5.12 116.66 105.37 1wfm n ARG 104 Ca -0.22 0.00 -0.39 0.00 -1.00 0.00 0.00 57.85 56.25 1wfm n ARG 104 Cb 0.65 -0.08 0.03 0.00 -1.05 0.00 0.00 32.46 32.02 1wfm n ARG 104 CO 0.00 0.00 0.00 0.72 -0.01 0.00 0.00 177.63 178.34 1wfm n HIS 105 N -2.02 -0.63 -2.94 2.89 8.25 -1.26 -5.00 115.22 114.51 1wfm n HIS 105 Ca 0.00 0.46 0.00 0.00 -0.26 0.00 0.00 57.72 57.92 1wfm n HIS 105 Cb 0.00 -1.96 0.00 0.00 1.12 0.00 0.00 29.99 29.15 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 0.60 1.84 -4.68 0.41 7.64 -1.26 -5.01 113.62 113.16 1wfm n SER 106 Ca 0.11 0.00 -0.47 0.00 1.01 0.00 0.00 58.87 59.53 1wfm n SER 106 Cb 0.46 0.00 -0.04 0.00 -1.01 0.00 0.00 64.21 63.62 1wfm n SER 106 CO 0.00 0.00 0.00 0.52 -3.01 0.00 0.00 175.04 172.55 1wfm n VAL 107 N 0.00 0.50 0.27 0.44 0.31 -1.26 -4.57 118.33 114.03 1wfm n VAL 107 Ca 0.00 -0.09 0.16 0.00 -0.01 0.00 0.00 64.34 64.40 1wfm n VAL 107 Cb 0.00 -1.89 0.62 0.00 -0.91 0.00 0.00 33.84 31.66 1wfm n VAL 107 CO 0.00 0.00 0.00 0.00 -1.32 0.00 0.00 176.83 175.51 1wfm h ALA 108 N 8.84 1.00 0.00 3.52 0.00 0.19 -3.44 119.26 129.36 1wfm h ALA 108 Ca -0.48 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.42 1wfm h ALA 108 Cb 1.26 -0.00 0.00 0.00 0.00 0.00 0.00 17.79 19.05 1wfm h ALA 108 CO 0.94 0.02 0.00 0.41 0.00 0.00 0.00 179.25 180.61 1wfm n GLY 109 N 0.15 1.58 3.67 0.00 0.00 -1.18 -4.30 105.19 105.11 1wfm n GLY 109 Ca 0.01 0.12 -0.33 0.00 0.00 0.00 0.00 46.02 45.82 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 -0.70 2.81 -0.20 1.61 2.02 -1.26 -0.63 118.70 122.36 1wfm s GLU 110 Ca 0.00 -0.58 -0.03 0.00 0.02 0.00 0.00 54.97 54.39 1wfm s GLU 110 Cb 0.00 -2.68 0.06 0.00 0.10 0.00 0.00 34.13 31.61 1wfm s GLU 110 CO 0.00 0.64 0.03 -1.17 0.02 0.00 0.00 175.26 174.78 1wfm s LEU 111 N -1.39 1.29 0.06 1.80 1.98 0.15 0.21 118.68 122.78 1wfm s LEU 111 Ca 0.18 -0.85 -0.20 0.00 -2.89 0.00 0.00 54.13 50.37 1wfm s LEU 111 Cb -0.11 -0.64 -0.06 0.00 0.66 0.00 0.00 46.19 46.03 1wfm s LEU 111 CO 0.08 -0.30 0.60 -0.60 -1.89 0.00 0.00 176.35 174.24 1wfm s ARG 112 N 1.82 4.27 0.26 1.98 6.06 -1.26 -0.19 118.95 131.89 1wfm s ARG 112 Ca -0.01 0.78 -0.04 0.00 -2.50 0.00 0.00 55.73 53.95 1wfm s ARG 112 Cb -0.17 -3.27 -0.02 0.00 0.06 0.00 0.00 34.95 31.54 1wfm s ARG 112 CO -0.08 0.54 0.32 -0.51 -2.50 0.00 0.00 175.30 173.08 1wfm s LEU 113 N -0.81 0.92 0.22 -0.88 1.43 -0.50 -4.98 118.68 114.08 1wfm s LEU 113 Ca 0.30 -1.30 0.06 0.00 -1.03 0.00 0.00 54.13 52.17 1wfm s LEU 113 Cb -0.19 1.05 -0.05 0.00 0.03 0.00 0.00 46.19 47.03 1wfm s LEU 113 CO 0.19 -1.05 -0.10 -0.83 0.23 0.00 0.00 176.35 174.80 1wfm s GLY 114 N -3.15 1.48 -0.05 -3.19 0.00 -1.26 -2.73 107.32 98.42 1wfm s GLY 114 Ca 0.32 -1.71 0.02 0.00 0.00 0.00 0.00 44.72 43.36 1wfm s GLY 114 CO 0.14 -1.74 -0.03 1.04 0.00 0.00 0.00 173.10 172.52 1wfm n LEU 115 N -0.40 1.87 -0.46 0.66 7.99 -1.26 -4.49 117.00 120.90 1wfm n LEU 115 Ca -0.07 -0.02 0.42 0.00 -0.01 0.00 0.00 56.01 56.33 1wfm n LEU 115 Cb 0.62 -0.09 0.74 0.00 -0.11 0.00 0.00 43.42 44.58 1wfm n LEU 115 CO 0.36 0.42 1.39 -2.24 -1.51 0.00 0.00 177.39 175.80 1wfm h ASP 116 N 0.00 0.00 0.00 -1.43 2.03 -1.82 -3.43 116.42 111.77 1wfm h ASP 116 Ca -0.13 0.00 0.00 0.00 -0.73 0.00 0.00 57.03 56.17 1wfm h ASP 116 Cb 1.23 0.00 0.00 0.00 -0.83 0.00 0.00 39.33 39.73 1wfm h ASP 116 CO -0.01 0.00 0.00 0.61 -1.03 0.00 0.00 179.24 178.81 1wfm n GLY 117 N -1.82 1.80 0.00 7.15 0.00 -1.26 -4.93 105.19 106.13 1wfm n GLY 117 Ca 0.33 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.35 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 -0.57 0.00 -0.08 2.61 -1.04 -1.26 -4.75 114.28 109.18 1wfm n THR 118 Ca 0.00 0.00 -0.02 0.00 -2.04 0.00 0.00 64.05 61.99 1wfm n THR 118 Cb 0.00 -0.71 -0.02 0.00 -1.82 0.00 0.00 70.33 67.79 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 -0.99 -0.20 -4.23 8.00 7.64 -1.26 -4.47 113.62 118.11 1wfm n SER 119 Ca 0.00 1.07 -0.27 0.00 1.01 0.00 0.00 58.87 60.68 1wfm n SER 119 Cb 0.00 -0.41 -0.15 0.00 -1.01 0.00 0.00 64.21 62.64 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 -3.49 1.66 0.94 0.44 -7.23 -1.26 -4.95 120.40 106.50 1wfm s VAL 120 Ca -0.02 -0.94 -0.13 0.00 -1.81 0.00 0.00 61.98 59.07 1wfm s VAL 120 Cb 0.02 -1.39 0.16 0.00 0.56 0.00 0.00 36.38 35.73 1wfm s VAL 120 CO 0.11 0.43 1.15 -2.16 -0.31 0.00 0.00 175.10 174.33 1wfm s PRO 121 N -0.60 0.88 0.23 4.82 0.04 -1.26 -4.46 135.00 134.65 1wfm s PRO 121 Ca 0.08 0.19 -0.00 0.00 0.04 0.00 0.00 61.00 61.31 1wfm s PRO 121 Cb -0.08 -1.82 -0.04 0.00 0.04 0.00 0.00 34.50 32.60 1wfm s PRO 121 CO -0.00 -2.35 0.42 -0.51 0.04 0.00 0.00 177.00 174.59 1wfm s LEU 122 N -6.10 4.20 -1.27 -3.56 1.43 -1.26 -4.19 118.68 107.92 1wfm s LEU 122 Ca 0.65 0.39 0.00 0.00 -1.03 0.00 0.00 54.13 54.14 1wfm s LEU 122 Cb -0.13 -3.18 0.00 0.00 0.03 0.00 0.00 46.19 42.91 1wfm s LEU 122 CO 0.53 -0.09 0.00 0.61 0.23 0.00 0.00 176.35 177.64 1wfm n GLY 123 N -0.91 0.29 2.73 -3.19 0.00 0.53 -4.90 105.19 99.74 1wfm n GLY 123 Ca -0.05 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 -2.43 1.43 0.27 4.61 0.00 -1.25 -5.02 121.76 119.36 1wfm s ALA 124 Ca 0.00 -1.52 -0.30 0.00 0.00 0.00 0.00 51.96 50.14 1wfm s ALA 124 Cb 0.00 -1.55 -0.11 0.00 0.00 0.00 0.00 23.12 21.46 1wfm s ALA 124 CO 0.00 -1.60 1.54 0.00 0.00 0.00 0.00 175.76 175.70 1wfm s ALA 125 N 1.67 3.70 0.13 0.00 0.00 -1.26 -4.49 121.76 121.51 1wfm s ALA 125 Ca 0.08 1.47 0.04 0.00 0.00 0.00 0.00 51.96 53.56 1wfm s ALA 125 Cb -0.17 -3.61 -0.04 0.00 0.00 0.00 0.00 23.12 19.29 1wfm s ALA 125 CO -0.24 -0.89 -0.10 -0.65 0.00 0.00 0.00 175.76 173.89 1wfm s GLN 126 N -0.40 0.97 -0.73 0.00 -1.52 -1.12 -5.01 119.66 111.85 1wfm s GLN 126 Ca 0.62 -1.34 -0.05 0.00 -1.95 0.00 0.00 55.36 52.64 1wfm s GLN 126 Cb -0.45 -0.57 0.19 0.00 -0.22 0.00 0.00 33.01 31.96 1wfm s GLN 126 CO 0.46 0.07 0.58 -1.58 -0.25 0.00 0.00 175.29 174.57 1wfm s TRP 127 N -3.03 3.57 0.48 0.91 0.52 -1.26 -2.78 118.94 117.36 1wfm s TRP 127 Ca 0.12 -2.60 -0.11 0.00 0.02 0.00 0.00 56.10 53.53 1wfm s TRP 127 Cb 0.01 -3.36 -0.06 0.00 -1.15 0.00 0.00 33.47 28.91 1wfm s TRP 127 CO -0.00 -0.86 0.87 0.20 0.02 0.00 0.00 176.95 177.18 1wfm s GLY 128 N 0.89 1.84 -0.21 0.98 0.00 -1.12 -4.87 107.32 104.82 1wfm s GLY 128 Ca 0.19 -0.15 -0.06 0.00 0.00 0.00 0.00 44.72 44.70 1wfm s GLY 128 CO -0.06 0.07 0.02 1.85 0.00 0.00 0.00 173.10 174.98 1wfm s GLU 129 N -4.31 3.64 0.23 2.90 2.12 -1.26 -0.04 118.70 121.98 1wfm s GLU 129 Ca 0.53 -0.50 -0.32 0.00 0.36 0.00 0.00 54.97 55.04 1wfm s GLU 129 Cb -0.10 -3.15 -0.12 0.00 0.26 0.00 0.00 34.13 31.02 1wfm s GLU 129 CO 0.38 -0.03 1.69 1.28 -0.54 0.00 0.00 175.26 178.04 1wfm n LEU 130 N 4.40 4.10 -3.59 2.70 4.77 0.22 -4.82 117.00 124.79 1wfm n LEU 130 Ca -0.17 1.08 -0.41 0.00 -0.03 0.00 0.00 56.01 56.49 1wfm n LEU 130 Cb 0.52 -1.58 0.01 0.00 -2.33 0.00 0.00 43.42 40.04 1wfm n LEU 130 CO 0.31 0.18 1.83 0.29 -1.33 0.00 0.00 177.39 178.68 1wfm n LYS 131 N 3.48 5.05 -0.31 3.23 4.01 0.55 -4.55 118.16 129.61 1wfm n LYS 131 Ca 0.14 -4.15 0.20 0.00 -0.51 0.00 0.00 58.31 53.98 1wfm n LYS 131 Cb 0.35 -2.55 0.38 0.00 -0.51 0.00 0.00 35.03 32.71 1wfm n LYS 131 CO 0.00 0.00 0.00 0.25 -1.11 0.00 0.00 177.40 176.54 1wfm n THR 132 N 0.77 -0.39 -3.55 -0.18 -2.24 -1.26 -4.16 114.28 103.27 1wfm n THR 132 Ca 0.53 1.98 -0.38 0.00 -2.27 0.00 0.00 64.05 63.91 1wfm n THR 132 Cb 0.26 -3.01 0.03 0.00 -2.10 0.00 0.00 70.33 65.51 1wfm n THR 132 CO 0.00 0.00 0.00 -1.20 -0.57 0.00 0.00 175.07 173.30 1wfm n SER 133 N -5.27 -5.39 0.00 3.42 7.64 -1.26 -4.80 113.62 107.97 1wfm n SER 133 Ca 0.27 -0.27 0.00 0.00 1.01 0.00 0.00 58.87 59.88 1wfm n SER 133 Cb 0.90 -1.61 0.00 0.00 -1.01 0.00 0.00 64.21 62.48 1wfm n SER 133 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 1wfm n GLY 134 N -0.37 -0.75 0.01 0.23 0.00 -1.26 -5.08 105.19 97.97 1wfm n GLY 134 Ca -0.12 -1.01 -0.00 0.00 0.00 0.00 0.00 46.02 44.89 1wfm n GLY 134 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1wfm h PRO 135 N 0.00 -0.02 -6.59 1.61 0.13 -1.92 -3.37 132.00 121.84 1wfm h PRO 135 Ca 0.00 0.00 -0.47 0.00 -0.87 0.00 0.00 66.00 64.66 1wfm h PRO 135 Cb 0.00 0.01 0.01 0.00 0.13 0.00 0.00 31.00 31.15 1wfm h PRO 135 CO 0.00 -0.02 -0.15 -1.12 -0.23 0.00 0.00 178.00 176.49 1wfm s SER 136 N -2.92 6.23 0.05 1.44 0.01 -1.26 -4.25 113.70 113.00 1wfm s SER 136 Ca -0.00 0.47 0.02 0.00 1.31 0.00 0.00 55.95 57.75 1wfm s SER 136 Cb 0.00 -1.98 -0.03 0.00 0.21 0.00 0.00 66.02 64.22 1wfm s SER 136 CO 0.01 -0.38 -0.07 -0.44 0.41 0.00 0.00 173.24 172.77 1wfm s SER 137 N -4.07 0.85 0.00 2.44 0.01 -1.26 -5.03 113.70 106.64 1wfm s SER 137 Ca 0.42 -0.66 0.00 0.00 1.31 0.00 0.00 55.95 57.02 1wfm s SER 137 Cb -0.10 0.06 0.00 0.00 0.21 0.00 0.00 66.02 66.19 1wfm s SER 137 CO 0.37 -0.28 0.00 0.61 0.41 0.00 0.00 173.24 174.35