#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1wfj s SER 2 N 0.00 6.49 -0.41 1.61 0.15 -1.26 -4.93 113.70 115.35 1wfj s SER 2 Ca 0.00 2.60 0.04 0.00 0.70 0.00 0.00 55.95 59.29 1wfj s SER 2 Cb 0.00 -2.54 0.17 0.00 -1.71 0.00 0.00 66.02 61.94 1wfj s SER 2 CO 0.00 -1.02 0.42 -0.94 1.20 0.00 0.00 173.24 172.90 1wfj s SER 3 N 3.95 0.85 0.00 5.45 1.04 -1.26 -5.01 113.70 118.72 1wfj s SER 3 Ca 0.84 -2.15 0.00 0.00 0.48 0.00 0.00 55.95 55.12 1wfj s SER 3 Cb -0.41 0.42 0.00 0.00 0.10 0.00 0.00 66.02 66.13 1wfj s SER 3 CO 0.38 -0.19 0.00 0.61 0.98 0.00 0.00 173.24 175.02 1wfj n GLY 4 N 3.51 -1.67 2.56 7.32 0.00 -1.26 -5.12 105.19 110.52 1wfj n GLY 4 Ca 0.19 0.63 -0.03 0.00 0.00 0.00 0.00 46.02 46.81 1wfj n GLY 4 CO 0.00 0.00 0.00 -1.26 0.00 0.00 0.00 173.32 172.06 1wfj n SER 5 N 0.00 -3.96 -4.77 1.61 2.88 -1.26 -4.93 113.62 103.19 1wfj n SER 5 Ca 0.00 1.42 -0.39 0.00 -1.33 0.00 0.00 58.87 58.57 1wfj n SER 5 Cb 0.00 -4.39 -0.06 0.00 -0.75 0.00 0.00 64.21 59.02 1wfj n SER 5 CO 0.00 0.00 0.00 -0.55 -1.23 0.00 0.00 175.04 173.26 1wfj s SER 6 N -0.49 7.08 0.00 -3.46 0.15 -1.26 -4.95 113.70 110.77 1wfj s SER 6 Ca -0.14 1.29 0.00 0.00 0.70 0.00 0.00 55.95 57.80 1wfj s SER 6 Cb 0.01 -2.40 0.00 0.00 -1.71 0.00 0.00 66.02 61.92 1wfj s SER 6 CO 0.39 0.12 0.00 0.61 1.20 0.00 0.00 173.24 175.56 1wfj n GLY 7 N 2.22 0.83 3.76 9.45 0.00 -1.26 -5.07 105.19 115.13 1wfj n GLY 7 Ca -0.06 -2.05 -0.30 0.00 0.00 0.00 0.00 46.02 43.60 1wfj n GLY 7 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 1wfj s PRO 8 N -1.21 -0.40 0.00 1.61 0.04 -1.26 -5.09 135.00 128.68 1wfj s PRO 8 Ca 0.00 -0.29 0.00 0.00 0.04 0.00 0.00 61.00 60.75 1wfj s PRO 8 Cb 0.00 -1.71 0.00 0.00 0.04 0.00 0.00 34.50 32.83 1wfj s PRO 8 CO 0.00 -3.13 0.00 -2.39 0.04 0.00 0.00 177.00 171.52 1wfj n HIS 9 N -4.30 0.00 0.00 0.56 1.44 -1.26 -4.81 115.22 106.85 1wfj n HIS 9 Ca 0.15 0.00 0.00 0.00 -2.01 0.00 0.00 57.72 55.86 1wfj n HIS 9 Cb 0.59 0.00 0.00 0.00 0.12 0.00 0.00 29.99 30.70 1wfj n HIS 9 CO 0.00 0.00 0.00 0.41 -2.81 0.00 0.00 176.34 173.94 1wfj n GLY 10 N 0.00 -0.96 3.59 -1.39 0.00 -1.18 -3.66 105.19 101.59 1wfj n GLY 10 Ca 0.00 -0.06 -0.32 0.00 0.00 0.00 0.00 46.02 45.64 1wfj n GLY 10 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1wfj s THR 11 N -4.00 3.60 0.04 2.61 2.01 -0.07 -1.73 115.64 118.10 1wfj s THR 11 Ca 0.00 -0.80 0.04 0.00 0.31 0.00 0.00 61.69 61.23 1wfj s THR 11 Cb 0.00 -2.56 -0.04 0.00 0.01 0.00 0.00 72.50 69.91 1wfj s THR 11 CO 0.00 0.39 -0.03 -0.22 -0.69 0.00 0.00 174.62 174.07 1wfj s LEU 12 N -1.43 3.37 -0.19 4.42 1.98 0.43 1.00 118.68 128.25 1wfj s LEU 12 Ca 0.17 -0.13 -0.00 0.00 -2.89 0.00 0.00 54.13 51.27 1wfj s LEU 12 Cb -0.11 -2.02 0.05 0.00 0.66 0.00 0.00 46.19 44.77 1wfj s LEU 12 CO 0.08 0.23 -0.04 -0.70 -1.89 0.00 0.00 176.35 174.03 1wfj s GLU 13 N -1.85 1.38 -0.34 1.98 2.12 -0.52 -1.69 118.70 119.78 1wfj s GLU 13 Ca 0.21 -0.65 -0.10 0.00 0.36 0.00 0.00 54.97 54.79 1wfj s GLU 13 Cb -0.11 -2.21 0.02 0.00 0.26 0.00 0.00 34.13 32.08 1wfj s GLU 13 CO 0.13 -0.52 0.17 0.08 -0.54 0.00 0.00 175.26 174.58 1wfj s VAL 14 N 1.59 4.46 -0.87 3.70 1.01 0.19 0.19 120.40 130.68 1wfj s VAL 14 Ca -0.02 -0.72 -0.15 0.00 0.00 0.00 0.00 61.98 61.10 1wfj s VAL 14 Cb -0.17 -3.40 0.20 0.00 0.00 0.00 0.00 36.38 33.01 1wfj s VAL 14 CO -0.07 -0.10 0.88 -0.69 0.00 0.00 0.00 175.10 175.12 1wfj s VAL 15 N 1.56 5.40 -0.44 2.92 1.01 0.38 0.36 120.40 131.58 1wfj s VAL 15 Ca 0.03 -2.29 -0.27 0.00 0.00 0.00 0.00 61.98 59.45 1wfj s VAL 15 Cb -0.18 -4.56 -0.03 0.00 0.00 0.00 0.00 36.38 31.60 1wfj s VAL 15 CO 0.06 -1.17 2.01 -0.22 0.00 0.00 0.00 175.10 175.79 1wfj s LEU 16 N 0.77 3.40 0.00 3.92 0.20 0.24 -1.29 118.68 125.92 1wfj s LEU 16 Ca 0.23 1.01 0.00 0.00 0.69 0.00 0.00 54.13 56.06 1wfj s LEU 16 Cb -0.09 -2.96 0.00 0.00 -0.43 0.00 0.00 46.19 42.71 1wfj s LEU 16 CO -0.09 -2.23 0.00 0.52 -0.29 0.00 0.00 176.35 174.26 1wfj n VAL 17 N 7.53 0.00 -3.43 1.68 0.31 -0.91 0.31 118.33 123.82 1wfj n VAL 17 Ca 0.26 0.00 -0.04 0.00 -0.01 0.00 0.00 64.34 64.55 1wfj n VAL 17 Cb 0.50 -0.18 0.00 0.00 -0.91 0.00 0.00 33.84 33.26 1wfj n VAL 17 CO 0.00 0.00 0.00 -1.54 -1.32 0.00 0.00 176.83 173.97 1wfj n SER 18 N -0.24 -0.72 -3.70 4.52 3.41 -1.03 0.19 113.62 116.05 1wfj n SER 18 Ca 0.00 -1.61 -0.11 0.00 -0.26 0.00 0.00 58.87 56.89 1wfj n SER 18 Cb 0.00 1.23 -0.12 0.00 -0.26 0.00 0.00 64.21 65.07 1wfj n SER 18 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 1wfj s ALA 19 N -1.59 -0.85 0.16 7.33 0.00 -1.10 0.24 121.76 125.95 1wfj s ALA 19 Ca 0.07 1.30 0.08 0.00 0.00 0.00 0.00 51.96 53.41 1wfj s ALA 19 Cb -0.01 -0.87 -0.04 0.00 0.00 0.00 0.00 23.12 22.19 1wfj s ALA 19 CO 0.05 -0.32 -0.05 0.15 0.00 0.00 0.00 175.76 175.60 1wfj s LYS 20 N 1.55 2.25 0.52 0.00 3.01 -0.69 -3.74 119.74 122.64 1wfj s LYS 20 Ca -0.08 -1.13 0.06 0.00 -1.01 0.00 0.00 55.97 53.80 1wfj s LYS 20 Cb -0.10 -2.29 0.06 0.00 -1.01 0.00 0.00 37.83 34.49 1wfj s LYS 20 CO -0.11 0.46 0.46 0.41 0.51 0.00 0.00 175.35 177.08 1wfj n GLY 21 N 0.11 2.59 3.85 -3.33 0.00 -1.24 -1.61 105.19 105.56 1wfj n GLY 21 Ca -0.11 -2.28 -0.30 0.00 0.00 0.00 0.00 46.02 43.34 1wfj n GLY 21 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1wfj s LEU 22 N 0.00 2.77 0.21 0.99 2.01 -1.25 -4.92 118.68 118.48 1wfj s LEU 22 Ca 0.35 1.21 -0.14 0.00 0.01 0.00 0.00 54.13 55.57 1wfj s LEU 22 Cb -0.03 -3.93 0.22 0.00 0.01 0.00 0.00 46.19 42.47 1wfj s LEU 22 CO 0.22 -1.62 1.63 1.05 1.01 0.00 0.00 176.35 178.64 1wfj h GLU 23 N -0.85 -0.00 -2.32 1.70 -0.00 -2.00 -2.36 114.58 108.76 1wfj h GLU 23 Ca -0.46 0.00 -0.65 0.00 -0.00 0.00 0.00 59.36 58.25 1wfj h GLU 23 Cb 1.26 0.00 -0.38 0.00 -0.00 0.00 0.00 28.75 29.63 1wfj h GLU 23 CO 0.62 -0.00 -0.22 -3.47 -0.00 0.00 0.00 179.01 175.93 1wfj n ASP 24 N -5.42 4.91 -3.86 3.06 2.03 -1.26 -4.98 116.55 111.02 1wfj n ASP 24 Ca 0.07 -3.59 -0.27 0.00 0.52 0.00 0.00 54.79 51.52 1wfj n ASP 24 Cb 0.32 -0.76 -0.17 0.00 -0.72 0.00 0.00 41.12 39.79 1wfj n ASP 24 CO 0.00 0.00 0.00 0.00 -1.92 0.00 0.00 177.20 175.28 1wfj s ALA 25 N -3.23 1.30 -0.81 -1.67 0.00 -0.89 -5.02 121.76 111.44 1wfj s ALA 25 Ca 0.43 -0.68 -0.08 0.00 0.00 0.00 0.00 51.96 51.63 1wfj s ALA 25 Cb 0.20 -1.05 -0.17 0.00 0.00 0.00 0.00 23.12 22.10 1wfj s ALA 25 CO -0.07 -0.73 3.24 -3.47 0.00 0.00 0.00 175.76 174.73 1wfj n ASP 26 N 4.94 6.90 -4.27 0.00 2.03 -1.26 -4.62 116.55 120.26 1wfj n ASP 26 Ca -0.11 -2.51 -0.34 0.00 0.52 0.00 0.00 54.79 52.35 1wfj n ASP 26 Cb 0.48 -1.46 -0.15 0.00 -0.72 0.00 0.00 41.12 39.27 1wfj n ASP 26 CO 0.00 0.00 0.00 0.12 -1.92 0.00 0.00 177.20 175.40 1wfj s PHE 27 N 1.65 2.89 -0.75 -0.67 5.36 -1.26 -4.48 117.98 120.72 1wfj s PHE 27 Ca 0.67 -1.06 0.00 0.00 -0.96 0.00 0.00 56.93 55.58 1wfj s PHE 27 Cb 0.24 -2.02 0.00 0.00 -0.34 0.00 0.00 43.02 40.90 1wfj s PHE 27 CO -0.03 -0.56 0.00 1.28 -1.46 0.00 0.00 175.22 174.45 1wfj n LEU 28 N 4.57 -0.95 0.00 6.12 4.77 -1.26 -4.65 117.00 125.60 1wfj n LEU 28 Ca -0.19 0.10 0.00 0.00 -0.03 0.00 0.00 56.01 55.89 1wfj n LEU 28 Cb 0.51 -1.40 0.00 0.00 -2.33 0.00 0.00 43.42 40.20 1wfj n LEU 28 CO 0.28 -0.25 0.00 -3.20 -1.33 0.00 0.00 177.39 172.89 1wfj n ASN 29 N 0.63 0.00 -3.96 -1.43 2.85 -1.26 -2.48 115.26 109.61 1wfj n ASN 29 Ca -0.09 0.00 -0.35 0.00 -0.11 0.00 0.00 54.58 54.03 1wfj n ASN 29 Cb 0.41 0.00 -0.09 0.00 1.24 0.00 0.00 39.78 41.34 1wfj n ASN 29 CO 0.00 0.00 0.00 0.59 -2.11 0.00 0.00 177.26 175.74 1wfj n ASN 30 N 0.00 1.94 -1.67 1.20 3.02 -1.26 -4.51 115.26 113.98 1wfj n ASN 30 Ca 0.00 -2.59 -0.05 0.00 -0.03 0.00 0.00 54.58 51.91 1wfj n ASN 30 Cb 0.00 -1.16 -0.01 0.00 -0.61 0.00 0.00 39.78 37.99 1wfj n ASN 30 CO 0.00 0.00 0.00 1.15 -2.62 0.00 0.00 177.26 175.79 1wfj n MET 31 N 7.78 0.23 -3.20 3.52 0.00 -1.26 -5.10 117.12 119.09 1wfj n MET 31 Ca 0.46 -0.94 -0.23 0.00 0.00 0.00 0.00 57.70 56.99 1wfj n MET 31 Cb 0.43 0.90 -0.06 0.00 0.00 0.00 0.00 33.22 34.50 1wfj n MET 31 CO 0.00 0.00 0.00 -0.25 0.00 0.00 0.00 175.97 175.72 1wfj n ASP 32 N -1.98 1.62 -4.82 3.17 8.00 -1.26 -4.20 116.55 117.09 1wfj n ASP 32 Ca 0.00 -3.06 -0.31 0.00 0.71 0.00 0.00 54.79 52.14 1wfj n ASP 32 Cb 0.20 -0.63 0.05 0.00 -0.02 0.00 0.00 41.12 40.72 1wfj n ASP 32 CO 0.00 0.00 0.00 -2.16 -0.39 0.00 0.00 177.20 174.65 1wfj s PRO 33 N -2.09 2.85 0.01 -0.24 0.04 -1.26 -2.21 135.00 132.11 1wfj s PRO 33 Ca 0.39 0.93 -0.02 0.00 0.04 0.00 0.00 61.00 62.34 1wfj s PRO 33 Cb 0.23 -1.98 -0.01 0.00 0.04 0.00 0.00 34.50 32.78 1wfj s PRO 33 CO -0.09 -1.15 0.03 1.52 0.04 0.00 0.00 177.00 177.35 1wfj s TYR 34 N -3.05 0.14 0.18 0.56 1.13 -1.09 -2.35 117.35 112.87 1wfj s TYR 34 Ca 0.58 -0.29 -0.09 0.00 -1.41 0.00 0.00 57.07 55.86 1wfj s TYR 34 Cb -0.14 -0.11 -0.07 0.00 -1.10 0.00 0.00 41.96 40.54 1wfj s TYR 34 CO 0.55 -0.18 0.49 0.08 -2.51 0.00 0.00 175.55 173.98 1wfj s VAL 35 N -1.12 5.00 -0.33 -3.49 1.01 -1.26 -2.64 120.40 117.58 1wfj s VAL 35 Ca -0.12 0.40 -0.02 0.00 0.00 0.00 0.00 61.98 62.25 1wfj s VAL 35 Cb -0.07 -3.64 0.12 0.00 0.00 0.00 0.00 36.38 32.79 1wfj s VAL 35 CO -0.00 0.04 0.16 -1.58 0.00 0.00 0.00 175.10 173.73 1wfj s GLN 36 N -2.55 0.48 0.07 2.72 0.74 -0.82 -1.14 119.66 119.17 1wfj s GLN 36 Ca 0.43 -1.01 -0.31 0.00 0.05 0.00 0.00 55.36 54.52 1wfj s GLN 36 Cb -0.12 -1.42 -0.08 0.00 1.10 0.00 0.00 33.01 32.49 1wfj s GLN 36 CO 0.21 -1.09 1.55 -0.51 -0.55 0.00 0.00 175.29 174.90 1wfj s LEU 37 N 1.53 4.35 -0.03 3.68 2.01 0.21 -3.28 118.68 127.16 1wfj s LEU 37 Ca 0.13 2.39 0.08 0.00 0.01 0.00 0.00 54.13 56.74 1wfj s LEU 37 Cb -0.19 -3.57 -0.02 0.00 0.01 0.00 0.00 46.19 42.42 1wfj s LEU 37 CO -0.19 -0.81 -0.26 -0.89 1.01 0.00 0.00 176.35 175.21 1wfj s THR 38 N 2.21 2.06 -0.38 5.49 2.01 0.17 0.16 115.64 127.35 1wfj s THR 38 Ca 0.70 -1.10 0.01 0.00 0.31 0.00 0.00 61.69 61.60 1wfj s THR 38 Cb -0.38 -1.71 0.14 0.00 0.01 0.00 0.00 72.50 70.56 1wfj s THR 38 CO 0.30 0.58 0.23 0.00 -0.69 0.00 0.00 174.62 175.04 1wfj n ARG 40 N 3.84 0.00 -0.02 0.00 3.00 -1.26 -0.97 116.66 121.26 1wfj n ARG 40 Ca 0.12 0.00 -0.01 0.00 -0.01 0.00 0.00 57.85 57.95 1wfj n ARG 40 Cb 0.37 0.00 -0.05 0.00 0.00 0.00 0.00 32.46 32.78 1wfj n ARG 40 CO 0.00 0.00 0.00 0.25 0.00 0.00 0.00 177.63 177.88 1wfj n THR 41 N 0.00 0.25 -3.24 0.55 -2.24 -1.26 -4.97 114.28 103.36 1wfj n THR 41 Ca 0.00 -0.20 -0.39 0.00 -2.27 0.00 0.00 64.05 61.18 1wfj n THR 41 Cb 0.00 -0.41 -0.07 0.00 -2.10 0.00 0.00 70.33 67.75 1wfj n THR 41 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 1wfj s GLN 42 N -2.24 4.21 0.31 -0.78 -2.07 -0.14 -5.05 119.66 113.90 1wfj s GLN 42 Ca -0.03 0.43 0.03 0.00 -1.82 0.00 0.00 55.36 53.98 1wfj s GLN 42 Cb 0.02 -3.55 -0.04 0.00 -1.09 0.00 0.00 33.01 28.35 1wfj s GLN 42 CO 0.24 -0.12 0.13 0.16 -1.32 0.00 0.00 175.29 174.38 1wfj s ASP 43 N 1.10 1.71 -0.22 12.60 1.47 -1.26 0.19 116.67 132.26 1wfj s ASP 43 Ca 0.25 -1.52 -0.22 0.00 1.18 0.00 0.00 52.55 52.24 1wfj s ASP 43 Cb -0.15 0.31 0.06 0.00 -0.34 0.00 0.00 42.92 42.80 1wfj s ASP 43 CO 0.10 -0.83 0.62 -1.10 0.68 0.00 0.00 175.17 174.63 1wfj s GLN 44 N -3.85 0.73 0.22 2.11 -0.21 0.41 -4.96 119.66 114.11 1wfj s GLN 44 Ca 0.35 0.83 0.06 0.00 0.02 0.00 0.00 55.36 56.62 1wfj s GLN 44 Cb 0.06 0.36 -0.04 0.00 1.00 0.00 0.00 33.01 34.39 1wfj s GLN 44 CO 0.16 -0.09 0.20 0.15 -2.12 0.00 0.00 175.29 173.59 1wfj s LYS 45 N 0.27 3.00 0.45 2.91 1.02 -1.26 0.65 119.74 126.76 1wfj s LYS 45 Ca -0.00 -0.95 0.06 0.00 0.02 0.00 0.00 55.97 55.10 1wfj s LYS 45 Cb -0.04 -2.64 -0.03 0.00 -0.52 0.00 0.00 37.83 34.60 1wfj s LYS 45 CO 0.01 0.43 0.20 0.45 -0.92 0.00 0.00 175.35 175.52 1wfj s SER 46 N -3.63 4.42 1.06 2.83 0.15 -0.29 -4.96 113.70 113.28 1wfj s SER 46 Ca 0.33 -1.17 -0.16 0.00 0.70 0.00 0.00 55.95 55.64 1wfj s SER 46 Cb -0.09 -0.22 0.10 0.00 -1.71 0.00 0.00 66.02 64.10 1wfj s SER 46 CO 0.25 -0.67 0.28 -0.46 1.20 0.00 0.00 173.24 173.84 1wfj n ASN 47 N -1.33 -2.12 -4.62 5.45 6.94 -1.26 -4.68 115.26 113.65 1wfj n ASN 47 Ca -0.03 0.05 -0.40 0.00 -0.02 0.00 0.00 54.58 54.18 1wfj n ASN 47 Cb 0.65 -1.09 -0.08 0.00 -2.36 0.00 0.00 39.78 36.90 1wfj n ASN 47 CO 0.00 0.00 0.00 -0.69 -1.03 0.00 0.00 177.26 175.54 1wfj s VAL 48 N -2.32 5.09 -1.03 3.53 1.01 -1.26 -4.60 120.40 120.82 1wfj s VAL 48 Ca 0.58 0.82 -0.25 0.00 0.00 0.00 0.00 61.98 63.13 1wfj s VAL 48 Cb -0.17 -3.80 -0.14 0.00 0.00 0.00 0.00 36.38 32.27 1wfj s VAL 48 CO 0.66 0.10 2.09 0.00 0.00 0.00 0.00 175.10 177.96 1wfj s ALA 49 N 2.24 1.08 -0.16 5.51 0.00 -0.99 -4.88 121.76 124.56 1wfj s ALA 49 Ca 0.20 -1.56 -0.29 0.00 0.00 0.00 0.00 51.96 50.31 1wfj s ALA 49 Cb -0.16 -4.65 -0.01 0.00 0.00 0.00 0.00 23.12 18.30 1wfj s ALA 49 CO 0.09 -5.92 1.25 -1.21 0.00 0.00 0.00 175.76 169.97 1wfj s GLU 50 N 7.73 4.24 -0.56 0.00 2.02 -1.26 -4.11 118.70 126.76 1wfj s GLU 50 Ca 0.78 1.64 -0.12 0.00 0.02 0.00 0.00 54.97 57.29 1wfj s GLU 50 Cb -0.05 -3.75 0.02 0.00 0.10 0.00 0.00 34.13 30.45 1wfj s GLU 50 CO 0.12 -0.69 0.51 0.41 0.02 0.00 0.00 175.26 175.63 1wfj n GLY 51 N 3.58 -0.61 0.02 -1.39 0.00 -1.26 -4.88 105.19 100.65 1wfj n GLY 51 Ca 0.14 0.67 -0.03 0.00 0.00 0.00 0.00 46.02 46.80 1wfj n GLY 51 CO 0.00 0.00 0.00 1.03 0.00 0.00 0.00 173.32 174.35 1wfj n MET 52 N -1.46 2.63 0.00 1.61 2.81 -1.26 -5.14 117.12 116.31 1wfj n MET 52 Ca -0.20 0.00 0.00 0.00 -1.81 0.00 0.00 57.70 55.70 1wfj n MET 52 Cb 0.57 -1.12 0.00 0.00 -0.71 0.00 0.00 33.22 31.96 1wfj n MET 52 CO 0.00 0.00 0.00 0.41 1.51 0.00 0.00 175.97 177.89 1wfj n GLY 53 N 2.82 -0.82 0.00 3.03 0.00 -1.26 -4.47 105.19 104.48 1wfj n GLY 53 Ca -0.08 -2.14 0.10 0.00 0.00 0.00 0.00 46.02 43.90 1wfj n GLY 53 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 1wfj n THR 54 N 0.00 0.00 -3.18 2.61 -2.24 -1.03 -3.81 114.28 106.63 1wfj n THR 54 Ca 0.00 -0.00 -0.22 0.00 -2.27 0.00 0.00 64.05 61.56 1wfj n THR 54 Cb 0.00 -0.32 -0.05 0.00 -2.10 0.00 0.00 70.33 67.86 1wfj n THR 54 CO 0.00 0.00 0.00 0.35 -0.57 0.00 0.00 175.07 174.85 1wfj n THR 55 N -0.82 0.42 -2.44 4.28 -2.24 -1.26 -3.63 114.28 108.59 1wfj n THR 55 Ca 0.16 -4.63 -0.42 0.00 -2.27 0.00 0.00 64.05 56.88 1wfj n THR 55 Cb 0.07 -1.13 -0.03 0.00 -2.10 0.00 0.00 70.33 67.14 1wfj n THR 55 CO 0.00 0.00 0.00 -2.16 -0.57 0.00 0.00 175.07 172.34 1wfj s PRO 56 N -2.22 4.37 -0.21 -0.78 0.04 -1.24 -4.82 135.00 130.14 1wfj s PRO 56 Ca 0.40 1.71 -0.05 0.00 0.04 0.00 0.00 61.00 63.10 1wfj s PRO 56 Cb 0.26 -3.50 -0.02 0.00 0.04 0.00 0.00 34.50 31.28 1wfj s PRO 56 CO -0.09 -0.40 -0.01 -1.21 0.04 0.00 0.00 177.00 175.34 1wfj s GLU 57 N 1.91 3.56 -0.19 4.56 2.02 -1.26 -2.70 118.70 126.59 1wfj s GLU 57 Ca 0.57 -0.54 -0.10 0.00 0.02 0.00 0.00 54.97 54.91 1wfj s GLU 57 Cb -0.26 -3.07 -0.20 0.00 0.10 0.00 0.00 34.13 30.69 1wfj s GLU 57 CO 0.24 -0.05 0.10 0.91 0.02 0.00 0.00 175.26 176.49 1wfj n TRP 58 N 4.41 0.77 -3.83 1.61 8.01 0.51 -4.94 117.44 123.97 1wfj n TRP 58 Ca -0.17 0.23 -0.29 0.00 -1.31 0.00 0.00 57.50 55.95 1wfj n TRP 58 Cb 0.52 -1.09 0.03 0.00 -2.01 0.00 0.00 31.31 28.76 1wfj n TRP 58 CO 0.00 0.00 0.00 0.27 -1.01 0.00 0.00 177.69 176.95 1wfj n ASN 59 N -3.82 -5.06 -4.94 -0.99 0.23 0.92 -4.93 115.26 96.66 1wfj n ASN 59 Ca -0.38 -0.72 -0.21 0.00 -0.53 0.00 0.00 54.58 52.74 1wfj n ASN 59 Cb 0.91 -4.03 0.04 0.00 -2.08 0.00 0.00 39.78 34.62 1wfj n ASN 59 CO 0.00 0.00 0.00 -1.61 -0.93 0.00 0.00 177.26 174.72 1wfj s GLU 60 N -6.54 2.45 -0.07 -3.83 0.41 0.50 -4.84 118.70 106.78 1wfj s GLU 60 Ca 0.64 -0.98 -0.02 0.00 -0.41 0.00 0.00 54.97 54.21 1wfj s GLU 60 Cb -0.32 -2.53 0.03 0.00 -1.78 0.00 0.00 34.13 29.53 1wfj s GLU 60 CO 0.79 -0.75 0.02 0.99 -0.49 0.00 0.00 175.26 175.83 1wfj s THR 61 N -2.73 0.22 0.08 3.63 2.01 -1.26 0.80 115.64 118.39 1wfj s THR 61 Ca 0.59 0.20 0.09 0.00 0.31 0.00 0.00 61.69 62.88 1wfj s THR 61 Cb -0.09 -0.43 -0.03 0.00 0.01 0.00 0.00 72.50 71.96 1wfj s THR 61 CO 0.38 0.22 -0.23 -0.36 -0.69 0.00 0.00 174.62 173.94 1wfj s PHE 62 N 2.03 2.41 0.02 4.92 0.40 0.16 -4.94 117.98 122.97 1wfj s PHE 62 Ca 0.05 -0.34 0.08 0.00 -0.60 0.00 0.00 56.93 56.11 1wfj s PHE 62 Cb -0.12 -1.36 -0.03 0.00 0.51 0.00 0.00 43.02 42.02 1wfj s PHE 62 CO -0.05 0.26 -0.23 0.42 0.70 0.00 0.00 175.22 176.32 1wfj s ILE 63 N -0.96 2.39 -0.05 0.64 -1.09 -1.26 0.55 121.20 121.42 1wfj s ILE 63 Ca 0.14 -1.19 -0.03 0.00 -2.23 0.00 0.00 60.65 57.34 1wfj s ILE 63 Cb -0.10 -1.92 0.02 0.00 -1.58 0.00 0.00 42.46 38.88 1wfj s ILE 63 CO 0.05 0.44 0.13 -0.36 -1.23 0.00 0.00 174.94 173.97 1wfj s PHE 64 N -0.77 -0.14 -0.11 3.97 0.08 -0.68 -4.96 117.98 115.36 1wfj s PHE 64 Ca 0.12 0.38 -0.29 0.00 0.12 0.00 0.00 56.93 57.27 1wfj s PHE 64 Cb -0.10 -0.02 -0.01 0.00 -0.57 0.00 0.00 43.02 42.31 1wfj s PHE 64 CO 0.02 -0.11 0.97 0.99 -0.10 0.00 0.00 175.22 176.99 1wfj s THR 65 N 0.59 4.81 -0.00 0.64 2.01 -1.26 -0.43 115.64 122.00 1wfj s THR 65 Ca -0.04 1.96 0.04 0.00 0.31 0.00 0.00 61.69 63.95 1wfj s THR 65 Cb -0.06 -4.28 -0.03 0.00 0.01 0.00 0.00 72.50 68.14 1wfj s THR 65 CO -0.03 0.02 -0.09 -0.69 -0.69 0.00 0.00 174.62 173.14 1wfj s VAL 66 N 1.99 3.49 0.00 3.82 1.01 -0.71 -4.93 120.40 125.07 1wfj s VAL 66 Ca 0.46 -0.81 0.00 0.00 0.00 0.00 0.00 61.98 61.64 1wfj s VAL 66 Cb -0.18 -2.49 0.00 0.00 0.00 0.00 0.00 36.38 33.71 1wfj s VAL 66 CO 0.17 0.41 0.00 -0.24 0.00 0.00 0.00 175.10 175.45 1wfj n SER 67 N 1.66 0.00 -2.40 3.32 2.88 -1.26 -3.13 113.62 114.68 1wfj n SER 67 Ca -0.16 0.00 -0.03 0.00 -1.33 0.00 0.00 58.87 57.35 1wfj n SER 67 Cb 0.52 0.00 0.08 0.00 -0.75 0.00 0.00 64.21 64.06 1wfj n SER 67 CO 0.00 0.00 0.00 -1.84 -1.23 0.00 0.00 175.04 171.97 1wfj n GLU 68 N 0.00 0.86 0.00 -1.46 0.28 -1.26 -4.96 120.64 114.10 1wfj n GLU 68 Ca 0.00 -0.98 0.00 0.00 -0.16 0.00 0.00 57.16 56.02 1wfj n GLU 68 Cb 0.00 0.18 0.00 0.00 1.43 0.00 0.00 31.44 33.05 1wfj n GLU 68 CO 0.00 0.00 0.00 0.41 -0.16 0.00 0.00 177.13 177.38 1wfj n GLY 69 N -0.87 2.77 2.91 -1.84 0.00 -1.26 -4.96 105.19 101.94 1wfj n GLY 69 Ca -0.12 0.00 -0.54 0.00 0.00 0.00 0.00 46.02 45.36 1wfj n GLY 69 CO 0.00 0.00 0.00 2.41 0.00 0.00 0.00 173.32 175.73 1wfj n THR 70 N -0.23 0.00 -2.57 2.61 -1.04 -1.26 -4.75 114.28 107.04 1wfj n THR 70 Ca 0.00 0.00 0.03 0.00 -2.04 0.00 0.00 64.05 62.04 1wfj n THR 70 Cb 0.00 -0.45 0.03 0.00 -1.82 0.00 0.00 70.33 68.09 1wfj n THR 70 CO 0.00 0.00 0.00 0.35 -0.64 0.00 0.00 175.07 174.78 1wfj n THR 71 N 5.75 0.28 -3.63 12.58 -2.24 -1.26 -4.75 114.28 121.01 1wfj n THR 71 Ca 0.49 -1.41 -0.03 0.00 -2.27 0.00 0.00 64.05 60.82 1wfj n THR 71 Cb -0.04 1.06 -0.03 0.00 -2.10 0.00 0.00 70.33 69.22 1wfj n THR 71 CO 0.00 0.00 0.00 -1.83 -0.57 0.00 0.00 175.07 172.67 1wfj s GLU 72 N -0.85 0.12 0.00 -0.78 -1.05 -1.26 -1.79 118.70 113.09 1wfj s GLU 72 Ca 0.32 -0.00 0.08 0.00 -0.15 0.00 0.00 54.97 55.21 1wfj s GLU 72 Cb 0.37 0.06 -0.02 0.00 -0.44 0.00 0.00 34.13 34.09 1wfj s GLU 72 CO -0.14 -0.04 -0.24 -1.17 0.95 0.00 0.00 175.26 174.62 1wfj s LEU 73 N -1.40 2.24 -0.27 1.83 2.96 0.92 -4.82 118.68 120.13 1wfj s LEU 73 Ca 0.09 -0.46 -0.09 0.00 -0.22 0.00 0.00 54.13 53.45 1wfj s LEU 73 Cb -0.01 -1.37 -0.03 0.00 0.50 0.00 0.00 46.19 45.27 1wfj s LEU 73 CO -0.06 0.30 0.12 -0.54 -1.32 0.00 0.00 176.35 174.85 1wfj s LYS 74 N -0.90 3.70 -0.29 1.98 3.01 -0.53 -0.42 119.74 126.28 1wfj s LYS 74 Ca 0.11 -0.46 -0.02 0.00 -1.01 0.00 0.00 55.97 54.59 1wfj s LYS 74 Cb -0.10 -3.47 0.04 0.00 -1.01 0.00 0.00 37.83 33.29 1wfj s LYS 74 CO 0.01 -0.22 -0.01 0.00 0.51 0.00 0.00 175.35 175.64 1wfj s ALA 75 N 1.66 2.81 -0.09 5.17 0.00 -0.82 0.42 121.76 130.92 1wfj s ALA 75 Ca 0.06 -1.70 0.01 0.00 0.00 0.00 0.00 51.96 50.33 1wfj s ALA 75 Cb -0.16 -1.91 -0.03 0.00 0.00 0.00 0.00 23.12 21.03 1wfj s ALA 75 CO 0.06 -1.18 -0.09 0.15 0.00 0.00 0.00 175.76 174.70 1wfj s LYS 76 N 1.28 2.93 -0.04 0.00 1.02 -1.21 -0.74 119.74 122.98 1wfj s LYS 76 Ca -0.04 -0.60 0.01 0.00 0.02 0.00 0.00 55.97 55.36 1wfj s LYS 76 Cb -0.19 -2.60 -0.03 0.00 -0.52 0.00 0.00 37.83 34.49 1wfj s LYS 76 CO -0.01 0.52 -0.05 0.42 -0.92 0.00 0.00 175.35 175.31 1wfj s ILE 77 N -0.43 3.84 0.00 2.17 1.09 0.17 -1.94 121.20 126.10 1wfj s ILE 77 Ca 0.06 -0.55 0.00 0.00 -1.10 0.00 0.00 60.65 59.06 1wfj s ILE 77 Cb -0.12 -2.62 0.00 0.00 -1.06 0.00 0.00 42.46 38.65 1wfj s ILE 77 CO 0.02 0.51 0.00 0.49 -0.10 0.00 0.00 174.94 175.86 1wfj n PHE 78 N 1.90 -0.03 -5.02 3.97 3.01 -1.08 0.18 117.46 120.39 1wfj n PHE 78 Ca -0.17 0.00 -0.32 0.00 1.01 0.00 0.00 57.45 57.97 1wfj n PHE 78 Cb 0.53 0.00 -0.15 0.00 -0.01 0.00 0.00 39.48 39.85 1wfj n PHE 78 CO 0.00 0.00 0.00 0.34 1.01 0.00 0.00 176.76 178.11 1wfj s ASP 79 N 0.41 3.62 0.57 4.37 2.15 -1.26 -2.65 116.67 123.88 1wfj s ASP 79 Ca 0.00 -0.36 0.37 0.00 0.43 0.00 0.00 52.55 52.99 1wfj s ASP 79 Cb 0.00 -1.02 1.44 0.00 -0.30 0.00 0.00 42.92 43.04 1wfj s ASP 79 CO 0.00 0.26 1.63 0.07 -0.17 0.00 0.00 175.17 176.96 1wfj h LYS 80 N 5.97 0.00 -1.31 4.34 2.10 -1.78 1.72 116.57 127.61 1wfj h LYS 80 Ca -0.35 0.00 -0.70 0.00 -2.00 0.00 0.00 60.65 57.59 1wfj h LYS 80 Cb 1.18 0.00 -0.29 0.00 -0.90 0.00 0.00 32.23 32.22 1wfj h LYS 80 CO 0.50 0.00 0.88 -0.25 -2.00 0.00 0.00 179.45 178.58 1wfj n ASP 81 N -3.80 7.56 -3.67 7.07 8.00 -1.26 -4.90 116.55 125.55 1wfj n ASP 81 Ca 0.27 -3.80 -0.15 0.00 0.71 0.00 0.00 54.79 51.82 1wfj n ASP 81 Cb 1.44 -0.99 -0.07 0.00 -0.02 0.00 0.00 41.12 41.48 1wfj n ASP 81 CO 0.00 0.00 0.00 -0.69 -0.39 0.00 0.00 177.20 176.12 1wfj s VAL 82 N -4.91 0.04 -0.06 2.53 1.01 0.59 -5.14 120.40 114.46 1wfj s VAL 82 Ca 0.60 -0.32 -0.15 0.00 0.00 0.00 0.00 61.98 62.11 1wfj s VAL 82 Cb 0.48 -0.79 -0.05 0.00 0.00 0.00 0.00 36.38 36.02 1wfj s VAL 82 CO -0.14 -0.18 0.40 -0.83 0.00 0.00 0.00 175.10 174.36 1wfj s GLY 83 N -1.41 2.40 0.46 4.51 0.00 -1.26 -4.65 107.32 107.37 1wfj s GLY 83 Ca -0.11 -0.26 0.39 0.00 0.00 0.00 0.00 44.72 44.74 1wfj s GLY 83 CO 0.05 0.36 1.43 -1.30 0.00 0.00 0.00 173.10 173.63 1wfj n THR 84 N 2.65 -0.10 -2.47 0.90 -2.24 -1.26 0.13 114.28 111.88 1wfj n THR 84 Ca -0.12 1.49 -0.36 0.00 -2.27 0.00 0.00 64.05 62.80 1wfj n THR 84 Cb 0.52 -2.46 0.01 0.00 -2.10 0.00 0.00 70.33 66.30 1wfj n THR 84 CO 0.00 0.00 0.00 -0.62 -0.57 0.00 0.00 175.07 173.88 1wfj n GLU 85 N -4.11 3.95 0.02 -0.78 1.02 -1.26 -4.59 120.64 114.89 1wfj n GLU 85 Ca 0.39 -4.36 0.00 0.00 -0.02 0.00 0.00 57.16 53.17 1wfj n GLU 85 Cb 1.66 -2.33 0.00 0.00 -0.02 0.00 0.00 31.44 30.75 1wfj n GLU 85 CO 0.00 0.00 0.00 -3.47 1.18 0.00 0.00 177.13 174.84 1wfj n ASP 86 N -0.30 0.02 -3.30 1.62 -0.08 0.35 -5.11 116.55 109.75 1wfj n ASP 86 Ca 0.45 0.07 0.03 0.00 -1.51 0.00 0.00 54.79 53.83 1wfj n ASP 86 Cb 0.34 0.04 -0.02 0.00 2.34 0.00 0.00 41.12 43.82 1wfj n ASP 86 CO 0.00 0.00 0.00 -0.62 0.12 0.00 0.00 177.20 176.70 1wfj s ASP 87 N -4.40 -0.91 -0.30 1.67 -1.08 -1.25 -5.03 116.67 105.36 1wfj s ASP 87 Ca 0.00 0.83 -0.18 0.00 -0.52 0.00 0.00 52.55 52.68 1wfj s ASP 87 Cb 0.00 1.87 -0.02 0.00 -1.46 0.00 0.00 42.92 43.31 1wfj s ASP 87 CO 0.00 -0.17 0.52 0.00 0.52 0.00 0.00 175.17 176.04 1wfj s ALA 88 N 2.79 3.53 0.56 3.66 0.00 -1.26 -4.49 121.76 126.55 1wfj s ALA 88 Ca 0.05 -0.79 0.47 0.00 0.00 0.00 0.00 51.96 51.69 1wfj s ALA 88 Cb -0.11 -2.96 1.67 0.00 0.00 0.00 0.00 23.12 21.72 1wfj s ALA 88 CO -0.17 -0.98 1.59 -0.39 0.00 0.00 0.00 175.76 175.81 1wfj h VAL 89 N 5.51 0.06 0.00 0.00 -1.51 0.17 -3.43 116.25 117.04 1wfj h VAL 89 Ca -0.28 0.00 0.00 0.00 -1.23 0.00 0.00 66.70 65.19 1wfj h VAL 89 Cb 1.13 0.06 0.00 0.00 -2.13 0.00 0.00 31.29 30.35 1wfj h VAL 89 CO 0.74 0.00 0.00 0.61 -1.23 0.00 0.00 177.57 177.69 1wfj n GLY 90 N -1.89 -0.44 3.43 5.19 0.00 -1.14 -4.75 105.19 105.59 1wfj n GLY 90 Ca 0.41 -0.98 -0.11 0.00 0.00 0.00 0.00 46.02 45.34 1wfj n GLY 90 CO 0.00 0.00 0.00 -1.83 0.00 0.00 0.00 173.32 171.49 1wfj s GLU 91 N -2.00 1.44 -0.20 1.61 4.04 0.98 0.46 118.70 125.04 1wfj s GLU 91 Ca 0.00 -1.43 -0.19 0.00 0.04 0.00 0.00 54.97 53.38 1wfj s GLU 91 Cb 0.00 0.39 0.05 0.00 0.02 0.00 0.00 34.13 34.59 1wfj s GLU 91 CO 0.00 -0.56 0.54 0.00 -1.84 0.00 0.00 175.26 173.41 1wfj s ALA 92 N -4.01 -1.35 -0.34 -0.84 0.00 0.08 -1.03 121.76 114.28 1wfj s ALA 92 Ca 0.29 1.50 -0.15 0.00 0.00 0.00 0.00 51.96 53.60 1wfj s ALA 92 Cb 0.02 -0.84 -0.01 0.00 0.00 0.00 0.00 23.12 22.29 1wfj s ALA 92 CO 0.11 -0.26 0.37 0.99 0.00 0.00 0.00 175.76 176.97 1wfj s THR 93 N 0.20 5.16 -0.45 0.00 2.01 -1.26 -1.95 115.64 119.35 1wfj s THR 93 Ca -0.01 0.11 -0.08 0.00 0.31 0.00 0.00 61.69 62.03 1wfj s THR 93 Cb -0.04 -3.82 0.12 0.00 0.01 0.00 0.00 72.50 68.77 1wfj s THR 93 CO 0.01 -0.08 0.31 -0.63 -0.69 0.00 0.00 174.62 173.54 1wfj s ILE 94 N 2.05 3.99 0.17 1.82 1.01 0.44 -4.92 121.20 125.77 1wfj s ILE 94 Ca 0.13 -1.84 -0.30 0.00 0.00 0.00 0.00 60.65 58.64 1wfj s ILE 94 Cb -0.16 -3.65 -0.07 0.00 0.01 0.00 0.00 42.46 38.59 1wfj s ILE 94 CO 0.12 -0.75 1.12 -2.16 0.00 0.00 0.00 174.94 173.27 1wfj s PRO 95 N 1.31 4.56 0.00 2.79 0.04 -1.26 0.31 135.00 142.75 1wfj s PRO 95 Ca 0.06 1.75 0.22 0.00 0.04 0.00 0.00 61.00 63.06 1wfj s PRO 95 Cb -0.25 -3.28 0.52 0.00 0.04 0.00 0.00 34.50 31.53 1wfj s PRO 95 CO -0.01 0.02 1.44 1.28 0.04 0.00 0.00 177.00 179.77 1wfj n LEU 96 N 2.52 3.04 -0.28 -3.56 4.77 -0.74 -4.21 117.00 118.53 1wfj n LEU 96 Ca 0.03 -1.36 -0.05 0.00 -0.03 0.00 0.00 56.01 54.60 1wfj n LEU 96 Cb 0.46 -0.26 0.08 0.00 -2.33 0.00 0.00 43.42 41.37 1wfj n LEU 96 CO 0.54 0.68 1.05 -0.08 -1.33 0.00 0.00 177.39 178.25 1wfj h GLU 97 N 3.78 1.18 0.00 3.23 4.81 -1.92 0.11 114.58 125.77 1wfj h GLU 97 Ca 0.00 -0.21 -0.09 0.00 -0.13 0.00 0.00 59.36 58.93 1wfj h GLU 97 Cb 0.84 -0.19 -0.01 0.00 0.63 0.00 0.00 28.75 30.01 1wfj h GLU 97 CO 0.00 0.95 -0.45 -1.00 -0.73 0.00 0.00 179.01 177.78 1wfj h PRO 98 N 1.15 0.00 -0.01 0.92 0.13 -1.93 -2.43 132.00 129.83 1wfj h PRO 98 Ca 0.26 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.39 1wfj h PRO 98 Cb 0.21 0.00 0.00 0.00 0.13 0.00 0.00 31.00 31.34 1wfj h PRO 98 CO -0.02 0.45 -0.15 1.55 -0.23 0.00 0.00 178.00 179.59 1wfj n VAL 99 N -3.42 0.00 -0.09 1.56 3.14 -0.86 -1.58 118.33 117.08 1wfj n VAL 99 Ca 0.00 -0.14 -0.11 0.00 -2.96 0.00 0.00 64.34 61.13 1wfj n VAL 99 Cb 0.60 0.28 -0.15 0.00 -1.06 0.00 0.00 33.84 33.51 1wfj n VAL 99 CO 0.00 0.00 0.00 0.49 -6.46 0.00 0.00 176.83 170.86 1wfj n PHE 100 N -0.53 0.22 -0.05 1.45 3.72 0.32 -2.62 117.46 119.98 1wfj n PHE 100 Ca 0.15 0.07 -0.14 0.00 -0.05 0.00 0.00 57.45 57.48 1wfj n PHE 100 Cb 0.33 -1.04 -0.14 0.00 -0.94 0.00 0.00 39.48 37.69 1wfj n PHE 100 CO 0.00 0.00 0.00 1.33 -0.05 0.00 0.00 176.76 178.04 1wfj n VAL 101 N -2.90 1.60 0.02 -4.37 0.24 -0.95 -4.39 118.33 107.58 1wfj n VAL 101 Ca -0.32 -0.74 -0.21 0.00 -2.04 0.00 0.00 64.34 61.04 1wfj n VAL 101 Cb 1.11 -1.17 -0.14 0.00 -1.47 0.00 0.00 33.84 32.17 1wfj n VAL 101 CO 0.00 0.00 0.00 -0.33 -2.14 0.00 0.00 176.83 174.36 1wfj h GLU 102 N 0.02 0.25 0.00 7.34 4.39 -1.51 -3.48 114.58 121.59 1wfj h GLU 102 Ca -0.42 -0.43 0.00 0.00 0.34 0.00 0.00 59.36 58.85 1wfj h GLU 102 Cb 2.05 0.16 0.00 0.00 -0.10 0.00 0.00 28.75 30.86 1wfj h GLU 102 CO 0.05 1.21 0.00 0.41 -1.16 0.00 0.00 179.01 179.51 1wfj n GLY 103 N 1.70 1.09 3.63 -3.84 0.00 -1.08 -4.99 105.19 101.69 1wfj n GLY 103 Ca -0.21 0.00 -0.03 0.00 0.00 0.00 0.00 46.02 45.79 1wfj n GLY 103 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 1wfj s SER 104 N -1.71 -0.61 -0.03 1.61 1.04 -1.26 -2.87 113.70 109.87 1wfj s SER 104 Ca 0.00 0.96 0.07 0.00 0.48 0.00 0.00 55.95 57.46 1wfj s SER 104 Cb 0.00 1.30 -0.02 0.00 0.10 0.00 0.00 66.02 67.40 1wfj s SER 104 CO 0.00 -0.15 -0.25 -0.63 0.98 0.00 0.00 173.24 173.19 1wfj s ILE 105 N 1.51 2.01 0.91 -1.02 -1.09 0.57 -4.89 121.20 119.20 1wfj s ILE 105 Ca -0.09 -1.08 -0.12 0.00 -2.23 0.00 0.00 60.65 57.13 1wfj s ILE 105 Cb -0.04 -1.68 0.14 0.00 -1.58 0.00 0.00 42.46 39.30 1wfj s ILE 105 CO -0.16 0.57 1.14 -2.16 -1.23 0.00 0.00 174.94 173.09 1wfj s PRO 106 N -0.47 1.13 -0.50 2.79 0.04 -1.26 -1.98 135.00 134.74 1wfj s PRO 106 Ca 0.06 0.29 -0.28 0.00 0.04 0.00 0.00 61.00 61.10 1wfj s PRO 106 Cb -0.11 -1.84 0.01 0.00 0.04 0.00 0.00 34.50 32.60 1wfj s PRO 106 CO 0.00 -2.21 1.46 -1.25 0.04 0.00 0.00 177.00 175.05 1wfj s PRO 107 N -5.28 3.36 0.07 0.56 0.04 -1.26 -4.37 135.00 128.11 1wfj s PRO 107 Ca 0.64 0.68 0.09 0.00 0.04 0.00 0.00 61.00 62.45 1wfj s PRO 107 Cb -0.15 -4.11 -0.03 0.00 0.04 0.00 0.00 34.50 30.25 1wfj s PRO 107 CO 0.53 -1.85 -0.25 0.99 0.04 0.00 0.00 177.00 176.46 1wfj s THR 108 N 6.07 2.01 -0.58 1.26 2.01 -1.18 -4.78 115.64 120.45 1wfj s THR 108 Ca 0.58 -1.43 -0.28 0.00 0.31 0.00 0.00 61.69 60.87 1wfj s THR 108 Cb -0.12 -1.75 0.02 0.00 0.01 0.00 0.00 72.50 70.66 1wfj s THR 108 CO 0.28 0.23 1.27 0.00 -0.69 0.00 0.00 174.62 175.71 1wfj s ALA 109 N -0.88 2.92 0.02 7.40 0.00 -1.25 -2.18 121.76 127.78 1wfj s ALA 109 Ca 0.11 -0.81 -0.28 0.00 0.00 0.00 0.00 51.96 50.98 1wfj s ALA 109 Cb -0.10 -4.07 -0.04 0.00 0.00 0.00 0.00 23.12 18.91 1wfj s ALA 109 CO 0.03 -2.79 0.90 0.71 0.00 0.00 0.00 175.76 174.62 1wfj s TYR 110 N 5.35 3.70 -0.22 0.00 2.02 0.35 -4.54 117.35 124.01 1wfj s TYR 110 Ca 0.46 1.63 -0.41 0.00 -0.37 0.00 0.00 57.07 58.37 1wfj s TYR 110 Cb -0.09 -3.01 -0.18 0.00 -0.40 0.00 0.00 41.96 38.28 1wfj s TYR 110 CO 0.25 0.10 1.52 0.09 -1.57 0.00 0.00 175.55 175.93 1wfj n ASN 111 N 3.45 1.55 -4.26 2.29 4.13 -1.26 0.22 115.26 121.37 1wfj n ASN 111 Ca 0.03 1.13 -0.37 0.00 1.68 0.00 0.00 54.58 57.05 1wfj n ASN 111 Cb 0.50 -1.05 -0.13 0.00 -1.54 0.00 0.00 39.78 37.57 1wfj n ASN 111 CO 0.00 0.00 0.00 -0.69 0.28 0.00 0.00 177.26 176.85 1wfj s VAL 112 N 2.23 3.57 0.41 2.41 1.01 0.47 -4.35 120.40 126.15 1wfj s VAL 112 Ca 0.96 -1.09 0.07 0.00 0.00 0.00 0.00 61.98 61.93 1wfj s VAL 112 Cb -1.19 -2.98 -0.04 0.00 0.00 0.00 0.00 36.38 32.17 1wfj s VAL 112 CO 0.65 -0.08 0.22 0.68 0.00 0.00 0.00 175.10 176.57 1wfj s VAL 113 N 1.38 2.41 -0.37 2.92 -7.23 -0.20 0.20 120.40 119.52 1wfj s VAL 113 Ca -0.01 -1.61 0.02 0.00 -1.81 0.00 0.00 61.98 58.56 1wfj s VAL 113 Cb -0.19 -3.00 0.15 0.00 0.56 0.00 0.00 36.38 33.90 1wfj s VAL 113 CO 0.01 -0.01 0.30 -0.75 -0.31 0.00 0.00 175.10 174.34 1wfj s LYS 114 N -3.95 0.62 0.00 4.82 2.47 0.33 -0.01 119.74 124.01 1wfj s LYS 114 Ca 0.43 -1.21 0.00 0.00 -1.56 0.00 0.00 55.97 53.62 1wfj s LYS 114 Cb 0.02 -1.06 0.00 0.00 -1.46 0.00 0.00 37.83 35.33 1wfj s LYS 114 CO 0.24 -1.22 0.00 -3.47 0.16 0.00 0.00 175.35 171.05 1wfj n ASP 115 N 3.99 0.00 0.00 1.43 -0.08 -1.26 -3.26 116.55 117.37 1wfj n ASP 115 Ca 0.13 0.00 0.00 0.00 -1.51 0.00 0.00 54.79 53.41 1wfj n ASP 115 Cb 0.41 0.00 0.00 0.00 2.34 0.00 0.00 41.12 43.87 1wfj n ASP 115 CO 0.00 0.00 0.00 -1.84 0.12 0.00 0.00 177.20 175.48 1wfj n GLU 116 N -1.47 0.00 -3.15 -0.67 0.28 -1.26 -5.14 120.64 109.24 1wfj n GLU 116 Ca 0.00 0.00 -0.39 0.00 -0.16 0.00 0.00 57.16 56.61 1wfj n GLU 116 Cb 0.00 0.00 -0.06 0.00 1.43 0.00 0.00 31.44 32.81 1wfj n GLU 116 CO 0.00 0.00 0.00 -1.21 -0.16 0.00 0.00 177.13 175.76 1wfj s GLU 117 N 0.00 4.36 -0.34 3.44 2.02 -1.20 -4.99 118.70 121.98 1wfj s GLU 117 Ca 0.00 0.88 -0.29 0.00 0.02 0.00 0.00 54.97 55.58 1wfj s GLU 117 Cb 0.00 -3.29 0.01 0.00 0.10 0.00 0.00 34.13 30.95 1wfj s GLU 117 CO 0.00 0.51 1.26 -0.47 0.02 0.00 0.00 175.26 176.58 1wfj s TYR 118 N -0.74 2.74 0.01 1.61 5.04 -1.26 0.12 117.35 124.86 1wfj s TYR 118 Ca 0.32 0.87 0.11 0.00 -2.44 0.00 0.00 57.07 55.94 1wfj s TYR 118 Cb -0.20 -4.00 -0.22 0.00 0.35 0.00 0.00 41.96 37.89 1wfj s TYR 118 CO 0.21 -1.54 0.87 0.87 -1.34 0.00 0.00 175.55 174.62 1wfj h LYS 119 N 9.29 0.00 0.00 4.97 1.79 0.20 -3.48 116.57 129.34 1wfj h LYS 119 Ca -0.25 0.00 0.00 0.00 -2.18 0.00 0.00 60.65 58.22 1wfj h LYS 119 Cb 1.09 0.00 0.00 0.00 -1.58 0.00 0.00 32.23 31.74 1wfj h LYS 119 CO 1.05 0.65 0.00 0.41 -1.08 0.00 0.00 179.45 180.48 1wfj n GLY 120 N 1.48 -0.49 3.06 3.86 0.00 -0.17 -3.97 105.19 108.96 1wfj n GLY 120 Ca -0.11 -0.34 -0.11 0.00 0.00 0.00 0.00 46.02 45.47 1wfj n GLY 120 CO 0.00 0.00 0.00 -1.83 0.00 0.00 0.00 173.32 171.49 1wfj s GLU 121 N -1.28 0.41 -0.19 1.61 -1.05 -0.63 0.18 118.70 117.75 1wfj s GLU 121 Ca 0.00 -0.41 -0.01 0.00 -0.15 0.00 0.00 54.97 54.40 1wfj s GLU 121 Cb 0.00 0.17 0.01 0.00 -0.44 0.00 0.00 34.13 33.86 1wfj s GLU 121 CO 0.00 -0.09 -0.14 -1.50 0.95 0.00 0.00 175.26 174.48 1wfj s ILE 122 N -1.29 2.58 -0.16 1.83 2.07 0.13 -1.71 121.20 124.65 1wfj s ILE 122 Ca -0.14 -0.77 -0.26 0.00 -1.41 0.00 0.00 60.65 58.07 1wfj s ILE 122 Cb -0.08 -2.12 -0.01 0.00 0.13 0.00 0.00 42.46 40.38 1wfj s ILE 122 CO 0.01 0.50 0.87 0.26 -1.91 0.00 0.00 174.94 174.67 1wfj s TRP 123 N 1.23 3.43 -0.21 3.50 0.52 0.66 0.13 118.94 128.21 1wfj s TRP 123 Ca 0.03 1.32 -0.14 0.00 0.02 0.00 0.00 56.10 57.33 1wfj s TRP 123 Cb -0.14 -3.06 0.06 0.00 -1.15 0.00 0.00 33.47 29.19 1wfj s TRP 123 CO -0.07 -0.25 0.52 0.08 0.02 0.00 0.00 176.95 177.25 1wfj s VAL 124 N 2.19 -0.01 -0.12 4.03 1.01 -0.93 -2.14 120.40 124.43 1wfj s VAL 124 Ca 0.40 0.04 -0.06 0.00 0.00 0.00 0.00 61.98 62.36 1wfj s VAL 124 Cb -0.17 -0.75 -0.04 0.00 0.00 0.00 0.00 36.38 35.42 1wfj s VAL 124 CO 0.13 0.02 0.09 0.00 0.00 0.00 0.00 175.10 175.33 1wfj s ALA 125 N 1.07 3.64 -0.08 5.51 0.00 -0.41 -3.11 121.76 128.38 1wfj s ALA 125 Ca -0.06 -0.70 0.02 0.00 0.00 0.00 0.00 51.96 51.21 1wfj s ALA 125 Cb -0.06 -1.82 -0.02 0.00 0.00 0.00 0.00 23.12 21.22 1wfj s ALA 125 CO -0.10 0.54 -0.14 -0.51 0.00 0.00 0.00 175.76 175.56 1wfj s LEU 126 N -0.78 2.74 -0.31 0.00 1.43 -0.84 0.14 118.68 121.06 1wfj s LEU 126 Ca 0.13 -0.24 -0.02 0.00 -1.03 0.00 0.00 54.13 52.97 1wfj s LEU 126 Cb -0.12 -1.58 0.12 0.00 0.03 0.00 0.00 46.19 44.64 1wfj s LEU 126 CO 0.03 0.28 0.18 -0.44 0.23 0.00 0.00 176.35 176.63 1wfj s SER 127 N -0.34 3.09 0.56 2.29 0.01 0.13 0.21 113.70 119.65 1wfj s SER 127 Ca 0.03 -1.53 -0.16 0.00 1.31 0.00 0.00 55.95 55.60 1wfj s SER 127 Cb -0.13 -0.25 -0.05 0.00 0.21 0.00 0.00 66.02 65.80 1wfj s SER 127 CO 0.02 -0.39 1.02 0.12 0.41 0.00 0.00 173.24 174.43 1wfj s PHE 128 N 1.78 3.24 -0.35 2.43 5.36 -1.14 -1.44 117.98 127.86 1wfj s PHE 128 Ca 0.12 1.48 -0.00 0.00 -0.96 0.00 0.00 56.93 57.56 1wfj s PHE 128 Cb -0.18 -2.89 0.13 0.00 -0.34 0.00 0.00 43.02 39.74 1wfj s PHE 128 CO -0.23 -0.76 0.20 0.15 -1.46 0.00 0.00 175.22 173.11 1wfj s LYS 129 N -4.18 0.57 0.41 10.12 1.02 0.28 -4.71 119.74 123.25 1wfj s LYS 129 Ca 0.61 -1.26 -0.23 0.00 0.02 0.00 0.00 55.97 55.10 1wfj s LYS 129 Cb -0.13 -1.40 -0.09 0.00 -0.52 0.00 0.00 37.83 35.70 1wfj s LYS 129 CO 0.36 -1.17 1.05 -1.25 -0.92 0.00 0.00 175.35 173.42 1wfj s PRO 130 N 1.18 4.10 -1.11 -1.68 0.04 -1.26 -0.89 135.00 135.38 1wfj s PRO 130 Ca 0.16 1.50 -0.22 0.00 0.04 0.00 0.00 61.00 62.49 1wfj s PRO 130 Cb -0.22 -2.47 0.03 0.00 0.04 0.00 0.00 34.50 31.88 1wfj s PRO 130 CO -0.05 -0.20 1.64 0.45 0.04 0.00 0.00 177.00 178.88 1wfj s SER 131 N -1.62 6.32 0.00 6.66 0.15 -1.24 -4.91 113.70 119.06 1wfj s SER 131 Ca 0.59 -1.69 0.00 0.00 0.70 0.00 0.00 55.95 55.56 1wfj s SER 131 Cb -0.21 -2.57 0.00 0.00 -1.71 0.00 0.00 66.02 61.52 1wfj s SER 131 CO 0.27 -1.68 0.00 0.61 1.20 0.00 0.00 173.24 173.63 1wfj n GLY 132 N 6.33 -0.78 2.64 9.45 0.00 -1.26 -4.74 105.19 116.84 1wfj n GLY 132 Ca 0.40 -1.26 -0.34 0.00 0.00 0.00 0.00 46.02 44.82 1wfj n GLY 132 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 1wfj n PRO 133 N 0.00 2.55 -2.55 1.61 -0.04 -1.26 -4.38 135.00 130.93 1wfj n PRO 133 Ca 0.00 -1.93 -0.03 0.00 -0.04 0.00 0.00 63.50 61.50 1wfj n PRO 133 Cb 0.00 -2.78 0.00 0.00 -0.04 0.00 0.00 33.50 30.68 1wfj n PRO 133 CO 0.00 0.00 0.00 0.43 -0.04 0.00 0.00 175.50 175.89 1wfj n SER 134 N 4.99 -6.28 -2.89 3.54 7.64 -1.26 -4.57 113.62 114.79 1wfj n SER 134 Ca 0.56 0.19 -0.02 0.00 1.01 0.00 0.00 58.87 60.62 1wfj n SER 134 Cb 0.25 -4.17 -0.02 0.00 -1.01 0.00 0.00 64.21 59.27 1wfj n SER 134 CO 0.00 0.00 0.00 -1.54 -3.01 0.00 0.00 175.04 170.49 1wfj n SER 135 N -0.89 -5.22 0.00 6.43 3.41 -1.26 -5.21 113.62 110.88 1wfj n SER 135 Ca 0.05 1.06 0.00 0.00 -0.26 0.00 0.00 58.87 59.72 1wfj n SER 135 Cb 0.41 -3.32 0.00 0.00 -0.26 0.00 0.00 64.21 61.03 1wfj n SER 135 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49