#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 3.72 0.03 1.61 0.01 -1.26 -5.13 113.70 112.67 1wfj s SER 2 Ca 0.00 -0.66 -0.01 0.00 1.31 0.00 0.00 55.95 56.60 1wfj s SER 2 Cb 0.00 -0.44 -0.04 0.00 0.21 0.00 0.00 66.02 65.75 1wfj s SER 2 CO 0.00 0.16 0.16 -0.44 0.41 0.00 0.00 173.24 173.53 1wfj s SER 3 N -2.29 6.13 0.00 2.44 0.01 -1.26 -5.07 113.70 113.67 1wfj s SER 3 Ca 0.18 0.24 0.00 0.00 1.31 0.00 0.00 55.95 57.68 1wfj s SER 3 Cb -0.10 -1.85 0.00 0.00 0.21 0.00 0.00 66.02 64.28 1wfj s SER 3 CO 0.10 0.22 0.00 0.61 0.41 0.00 0.00 173.24 174.58 1wfj n GLY 4 N 0.70 4.28 3.64 3.44 0.00 -1.26 -5.17 105.19 110.82 1wfj n GLY 4 Ca -0.09 -0.57 -0.05 0.00 0.00 0.00 0.00 46.02 45.31 1wfj n GLY 4 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 1wfj s SER 5 N 0.00 -0.86 0.24 1.61 0.15 -1.26 -5.17 113.70 108.41 1wfj s SER 5 Ca 0.00 1.35 0.06 0.00 0.70 0.00 0.00 55.95 58.07 1wfj s SER 5 Cb 0.00 1.42 -0.05 0.00 -1.71 0.00 0.00 66.02 65.68 1wfj s SER 5 CO 0.00 -0.21 -0.08 -0.44 1.20 0.00 0.00 173.24 173.71 1wfj s SER 6 N 1.68 2.52 0.06 5.45 0.01 -1.26 -5.15 113.70 117.01 1wfj s SER 6 Ca -0.09 -1.13 -0.14 0.00 1.31 0.00 0.00 55.95 55.90 1wfj s SER 6 Cb -0.05 -0.13 0.05 0.00 0.21 0.00 0.00 66.02 66.10 1wfj s SER 6 CO -0.19 -0.31 0.64 0.61 0.41 0.00 0.00 173.24 174.41 1wfj n GLY 7 N -0.47 0.71 0.00 3.44 0.00 -1.26 -5.17 105.19 102.44 1wfj n GLY 7 Ca -0.06 -1.02 0.00 0.00 0.00 0.00 0.00 46.02 44.94 1wfj n GLY 7 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 1wfj n PRO 8 N -0.46 -0.09 -3.52 1.61 -0.04 -1.26 -5.11 135.00 126.13 1wfj n PRO 8 Ca 0.00 0.00 0.03 0.00 -0.04 0.00 0.00 63.50 63.49 1wfj n PRO 8 Cb 0.33 0.00 -0.06 0.00 -0.04 0.00 0.00 33.50 33.74 1wfj n PRO 8 CO 0.00 0.00 0.00 -3.38 -0.04 0.00 0.00 175.50 172.08 1wfj s HIS 9 N -0.73 -0.09 -3.90 0.54 -3.43 -1.26 -4.75 115.29 101.67 1wfj s HIS 9 Ca 0.00 0.18 0.00 0.00 -0.80 0.00 0.00 55.06 54.44 1wfj s HIS 9 Cb 0.00 0.06 0.00 0.00 -1.43 0.00 0.00 32.58 31.21 1wfj s HIS 9 CO 0.00 -0.05 0.00 0.41 -2.00 0.00 0.00 174.74 173.10 1wfj n GLY 10 N 3.52 -0.56 3.62 -1.38 0.00 -1.01 -3.14 105.19 106.24 1wfj n GLY 10 Ca -0.14 -0.68 -0.29 0.00 0.00 0.00 0.00 46.02 44.90 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 -3.94 3.58 -0.03 2.61 2.01 -0.14 0.97 115.64 120.70 1wfj s THR 11 Ca 0.00 -1.25 0.04 0.00 0.31 0.00 0.00 61.69 60.79 1wfj s THR 11 Cb 0.00 -2.71 -0.03 0.00 0.01 0.00 0.00 72.50 69.77 1wfj s THR 11 CO 0.00 0.06 -0.12 -0.22 -0.69 0.00 0.00 174.62 173.65 1wfj s LEU 12 N -2.40 2.86 -0.24 4.42 1.98 0.58 0.57 118.68 126.45 1wfj s LEU 12 Ca 0.24 -0.19 0.01 0.00 -2.89 0.00 0.00 54.13 51.30 1wfj s LEU 12 Cb -0.11 -1.62 0.06 0.00 0.66 0.00 0.00 46.19 45.19 1wfj s LEU 12 CO 0.16 0.33 -0.06 -0.70 -1.89 0.00 0.00 176.35 174.19 1wfj s GLU 13 N -0.96 1.72 -0.25 1.98 2.12 -1.19 -0.87 118.70 121.25 1wfj s GLU 13 Ca 0.13 -1.09 -0.12 0.00 0.36 0.00 0.00 54.97 54.25 1wfj s GLU 13 Cb -0.11 -2.66 -0.05 0.00 0.26 0.00 0.00 34.13 31.58 1wfj s GLU 13 CO 0.03 -0.61 0.22 0.08 -0.54 0.00 0.00 175.26 174.43 1wfj s VAL 14 N 1.32 5.31 -0.60 3.70 1.01 0.37 -0.01 120.40 131.51 1wfj s VAL 14 Ca -0.06 0.28 -0.02 0.00 0.00 0.00 0.00 61.98 62.18 1wfj s VAL 14 Cb -0.19 -3.56 0.15 0.00 0.00 0.00 0.00 36.38 32.79 1wfj s VAL 14 CO -0.06 0.29 0.41 -0.69 0.00 0.00 0.00 175.10 175.05 1wfj s VAL 15 N 1.35 3.58 -0.77 2.92 1.01 0.19 0.12 120.40 128.81 1wfj s VAL 15 Ca 0.10 -2.92 -0.25 0.00 0.00 0.00 0.00 61.98 58.90 1wfj s VAL 15 Cb -0.14 -3.36 -0.04 0.00 0.00 0.00 0.00 36.38 32.84 1wfj s VAL 15 CO 0.07 -0.86 1.96 -0.22 0.00 0.00 0.00 175.10 176.06 1wfj s LEU 16 N 0.01 3.20 0.00 3.92 2.96 -1.19 -2.03 118.68 125.56 1wfj s LEU 16 Ca 0.16 -0.18 0.00 0.00 -0.22 0.00 0.00 54.13 53.90 1wfj s LEU 16 Cb -0.21 -2.55 0.00 0.00 0.50 0.00 0.00 46.19 43.94 1wfj s LEU 16 CO -0.03 -2.68 0.06 0.52 -1.32 0.00 0.00 176.35 172.89 1wfj n VAL 17 N 7.69 0.00 -3.75 1.68 0.31 -1.16 0.07 118.33 123.17 1wfj n VAL 17 Ca 0.33 0.26 -0.06 0.00 -0.01 0.00 0.00 64.34 64.85 1wfj n VAL 17 Cb 0.49 -0.65 -0.01 0.00 -0.91 0.00 0.00 33.84 32.76 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 -0.15 -0.62 -3.70 4.52 3.41 -1.15 -1.05 113.62 114.88 1wfj n SER 18 Ca 0.00 -1.81 -0.11 0.00 -0.26 0.00 0.00 58.87 56.69 1wfj n SER 18 Cb 0.00 1.14 -0.11 0.00 -0.26 0.00 0.00 64.21 64.98 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 -2.05 -1.05 -0.07 7.33 0.00 -1.05 0.91 121.76 125.77 1wfj s ALA 19 Ca 0.12 1.50 0.02 0.00 0.00 0.00 0.00 51.96 53.61 1wfj s ALA 19 Cb -0.01 -0.91 -0.03 0.00 0.00 0.00 0.00 23.12 22.18 1wfj s ALA 19 CO 0.09 -0.26 -0.11 0.15 0.00 0.00 0.00 175.76 175.62 1wfj s LYS 20 N 1.29 2.70 0.00 0.00 1.02 -0.41 -3.59 119.74 120.74 1wfj s LYS 20 Ca -0.09 -0.64 0.00 0.00 0.02 0.00 0.00 55.97 55.26 1wfj s LYS 20 Cb -0.08 -2.49 0.00 0.00 -0.52 0.00 0.00 37.83 34.75 1wfj s LYS 20 CO -0.12 0.59 0.00 0.41 -0.92 0.00 0.00 175.35 175.31 1wfj n GLY 21 N 2.44 0.90 3.83 -3.33 0.00 -1.09 -1.06 105.19 106.87 1wfj n GLY 21 Ca -0.18 -1.61 -0.22 0.00 0.00 0.00 0.00 46.02 44.02 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 3.50 0.27 0.99 1.43 -1.24 -4.55 118.68 119.08 1wfj s LEU 22 Ca 0.00 -0.58 0.23 0.00 -1.03 0.00 0.00 54.13 52.75 1wfj s LEU 22 Cb 0.00 -2.09 0.25 0.00 0.03 0.00 0.00 46.19 44.38 1wfj s LEU 22 CO 0.00 -0.37 1.35 1.05 0.23 0.00 0.00 176.35 178.61 1wfj h GLU 23 N 1.30 0.00 -1.07 1.70 4.11 -1.99 -3.33 114.58 115.30 1wfj h GLU 23 Ca -0.44 0.00 -0.47 0.00 0.07 0.00 0.00 59.36 58.51 1wfj h GLU 23 Cb 1.25 0.00 -0.41 0.00 0.50 0.00 0.00 28.75 30.09 1wfj h GLU 23 CO 0.59 0.00 -0.92 -3.47 0.07 0.00 0.00 179.01 175.28 1wfj n ASP 24 N -2.68 3.50 -3.64 3.06 2.03 -1.26 -5.01 116.55 112.54 1wfj n ASP 24 Ca 0.02 -3.23 -0.07 0.00 0.52 0.00 0.00 54.79 52.03 1wfj n ASP 24 Cb 0.51 -0.45 -0.07 0.00 -0.72 0.00 0.00 41.12 40.39 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 -3.49 -1.95 -0.96 -1.67 0.00 -1.25 -5.09 121.76 107.35 1wfj s ALA 25 Ca 0.40 2.28 -0.21 0.00 0.00 0.00 0.00 51.96 54.43 1wfj s ALA 25 Cb 0.41 -1.44 0.09 0.00 0.00 0.00 0.00 23.12 22.18 1wfj s ALA 25 CO -0.06 -0.36 1.27 -0.51 0.00 0.00 0.00 175.76 176.10 1wfj s ASP 26 N 1.27 6.56 -0.11 0.00 1.01 -1.26 -4.21 116.67 119.93 1wfj s ASP 26 Ca -0.07 -1.75 -0.00 0.00 0.71 0.00 0.00 52.55 51.44 1wfj s ASP 26 Cb -0.05 -2.48 0.02 0.00 1.01 0.00 0.00 42.92 41.43 1wfj s ASP 26 CO -0.14 -1.27 -0.07 0.12 0.21 0.00 0.00 175.17 174.01 1wfj s PHE 27 N 3.75 1.40 -0.87 4.23 5.36 -1.26 -4.72 117.98 125.87 1wfj s PHE 27 Ca 0.38 -0.67 -0.01 0.00 -0.96 0.00 0.00 56.93 55.67 1wfj s PHE 27 Cb -0.03 -1.18 0.00 0.00 -0.34 0.00 0.00 43.02 41.47 1wfj s PHE 27 CO -0.09 -0.48 0.17 1.28 -1.46 0.00 0.00 175.22 174.63 1wfj n LEU 28 N 4.89 -1.83 0.00 6.12 4.77 -1.26 -4.56 117.00 125.13 1wfj n LEU 28 Ca -0.13 -0.08 0.00 0.00 -0.03 0.00 0.00 56.01 55.77 1wfj n LEU 28 Cb 0.50 -1.78 0.00 0.00 -2.33 0.00 0.00 43.42 39.81 1wfj n LEU 28 CO 0.17 0.01 0.00 -3.20 -1.33 0.00 0.00 177.39 173.03 1wfj n ASN 29 N -0.28 0.00 -4.04 -1.43 2.85 -1.26 -1.66 115.26 109.43 1wfj n ASN 29 Ca -0.09 0.00 -0.37 0.00 -0.11 0.00 0.00 54.58 54.01 1wfj n ASN 29 Cb 0.58 0.00 -0.06 0.00 1.24 0.00 0.00 39.78 41.54 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 2.74 -1.98 1.20 3.02 -1.26 -4.27 115.26 114.70 1wfj n ASN 30 Ca 0.00 -2.68 -0.07 0.00 -0.03 0.00 0.00 54.58 51.79 1wfj n ASN 30 Cb 0.00 -1.37 -0.02 0.00 -0.61 0.00 0.00 39.78 37.78 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 7.59 0.31 -3.60 3.52 0.00 -1.26 -5.07 117.12 118.61 1wfj n MET 31 Ca 0.48 -1.39 -0.27 0.00 0.00 0.00 0.00 57.70 56.51 1wfj n MET 31 Cb 0.43 1.30 -0.10 0.00 0.00 0.00 0.00 33.22 34.85 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 3.10 -4.57 3.17 9.92 -1.26 -4.23 116.55 120.70 1wfj n ASP 32 Ca 0.01 -3.27 -0.29 0.00 -0.53 0.00 0.00 54.79 50.71 1wfj n ASP 32 Cb 0.28 -0.70 0.16 0.00 -0.64 0.00 0.00 41.12 40.22 1wfj n ASP 32 CO 0.00 0.00 0.00 -2.16 0.13 0.00 0.00 177.20 175.17 1wfj s PRO 33 N -1.90 0.77 -0.29 -0.24 0.04 -1.26 0.71 135.00 132.84 1wfj s PRO 33 Ca 0.33 0.15 -0.21 0.00 0.04 0.00 0.00 61.00 61.31 1wfj s PRO 33 Cb 0.07 -1.81 0.13 0.00 0.04 0.00 0.00 34.50 32.93 1wfj s PRO 33 CO -0.09 -2.42 1.00 1.52 0.04 0.00 0.00 177.00 177.05 1wfj s TYR 34 N -3.33 -0.53 0.17 0.56 1.13 -0.26 -2.52 117.35 112.56 1wfj s TYR 34 Ca 0.66 1.17 -0.12 0.00 -1.41 0.00 0.00 57.07 57.37 1wfj s TYR 34 Cb -0.13 0.37 -0.07 0.00 -1.10 0.00 0.00 41.96 41.03 1wfj s TYR 34 CO 0.54 -0.26 0.52 0.08 -2.51 0.00 0.00 175.55 173.92 1wfj s VAL 35 N 0.79 4.93 -0.46 -3.49 1.01 -1.26 -0.83 120.40 121.09 1wfj s VAL 35 Ca -0.03 0.63 -0.01 0.00 0.00 0.00 0.00 61.98 62.57 1wfj s VAL 35 Cb -0.04 -3.68 0.12 0.00 0.00 0.00 0.00 36.38 32.78 1wfj s VAL 35 CO -0.11 0.13 0.23 -1.58 0.00 0.00 0.00 175.10 173.78 1wfj s GLN 36 N -2.27 2.02 -0.04 2.72 0.74 -0.66 -2.54 119.66 119.62 1wfj s GLN 36 Ca 0.41 -2.10 -0.30 0.00 0.05 0.00 0.00 55.36 53.42 1wfj s GLN 36 Cb -0.13 -3.51 -0.06 0.00 1.10 0.00 0.00 33.01 30.41 1wfj s GLN 36 CO 0.20 -1.07 1.76 -0.51 -0.55 0.00 0.00 175.29 175.12 1wfj s LEU 37 N 0.63 4.31 -0.03 3.68 1.02 0.40 -3.72 118.68 124.97 1wfj s LEU 37 Ca 0.12 2.32 0.06 0.00 0.02 0.00 0.00 54.13 56.64 1wfj s LEU 37 Cb -0.22 -3.53 -0.01 0.00 0.02 0.00 0.00 46.19 42.45 1wfj s LEU 37 CO -0.04 -1.01 -0.19 -0.89 0.02 0.00 0.00 176.35 174.23 1wfj s THR 38 N 4.36 1.54 -0.36 5.49 2.01 -0.45 0.17 115.64 128.40 1wfj s THR 38 Ca 0.79 -0.81 0.01 0.00 0.31 0.00 0.00 61.69 61.98 1wfj s THR 38 Cb -0.36 -1.30 0.14 0.00 0.01 0.00 0.00 72.50 71.00 1wfj s THR 38 CO 0.33 0.44 0.25 0.00 -0.69 0.00 0.00 174.62 174.95 1wfj n ARG 40 N 4.00 0.00 0.00 0.00 3.00 -1.26 -0.23 116.66 122.17 1wfj n ARG 40 Ca 0.13 0.00 0.05 0.00 -0.01 0.00 0.00 57.85 58.02 1wfj n ARG 40 Cb 0.39 0.00 -0.01 0.00 0.00 0.00 0.00 32.46 32.84 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 0.00 -3.21 0.55 -2.24 -1.26 -4.94 114.28 103.18 1wfj n THR 41 Ca 0.00 -0.38 -0.41 0.00 -2.27 0.00 0.00 64.05 60.99 1wfj n THR 41 Cb 0.00 1.09 -0.07 0.00 -2.10 0.00 0.00 70.33 69.25 1wfj n THR 41 CO 0.00 0.00 0.00 -1.10 -0.57 0.00 0.00 175.07 173.40 1wfj s GLN 42 N -1.42 3.79 -0.19 -0.78 -0.21 0.68 -5.04 119.66 116.49 1wfj s GLN 42 Ca 0.07 0.05 0.01 0.00 0.02 0.00 0.00 55.36 55.51 1wfj s GLN 42 Cb 0.08 -3.76 0.03 0.00 1.00 0.00 0.00 33.01 30.36 1wfj s GLN 42 CO 0.27 -0.56 -0.18 0.16 -2.12 0.00 0.00 175.29 172.86 1wfj s ASP 43 N 1.70 3.23 -0.04 5.90 -4.77 -1.26 0.19 116.67 121.62 1wfj s ASP 43 Ca 0.21 -0.72 -0.00 0.00 -3.30 0.00 0.00 52.55 48.73 1wfj s ASP 43 Cb -0.15 -1.44 0.03 0.00 -1.09 0.00 0.00 42.92 40.27 1wfj s ASP 43 CO 0.12 -0.03 0.01 -1.10 0.70 0.00 0.00 175.17 174.86 1wfj s GLN 44 N 1.30 0.31 0.34 2.11 -0.21 0.45 -5.00 119.66 118.96 1wfj s GLN 44 Ca 0.03 0.11 0.07 0.00 0.02 0.00 0.00 55.36 55.59 1wfj s GLN 44 Cb -0.14 -0.57 -0.01 0.00 1.00 0.00 0.00 33.01 33.29 1wfj s GLN 44 CO -0.12 -0.18 0.47 0.15 -2.12 0.00 0.00 175.29 173.49 1wfj s LYS 45 N 1.31 3.08 0.26 2.91 1.02 -1.26 0.15 119.74 127.21 1wfj s LYS 45 Ca -0.06 -1.04 0.09 0.00 0.02 0.00 0.00 55.97 54.98 1wfj s LYS 45 Cb -0.13 -2.80 -0.04 0.00 -0.52 0.00 0.00 37.83 34.34 1wfj s LYS 45 CO -0.02 0.04 0.03 0.45 -0.92 0.00 0.00 175.35 174.93 1wfj s SER 46 N -4.17 4.73 0.50 2.83 0.15 -1.05 -4.89 113.70 111.79 1wfj s SER 46 Ca 0.45 -0.57 -0.20 0.00 0.70 0.00 0.00 55.95 56.33 1wfj s SER 46 Cb -0.09 -0.95 -0.10 0.00 -1.71 0.00 0.00 66.02 63.16 1wfj s SER 46 CO 0.31 -0.00 0.53 0.59 1.20 0.00 0.00 173.24 175.87 1wfj n ASN 47 N -0.94 -0.95 -4.73 5.45 4.13 -1.26 -4.73 115.26 112.24 1wfj n ASN 47 Ca -0.07 0.82 -0.42 0.00 1.68 0.00 0.00 54.58 56.59 1wfj n ASN 47 Cb 0.59 -1.15 -0.03 0.00 -1.54 0.00 0.00 39.78 37.65 1wfj n ASN 47 CO 0.00 0.00 0.00 -0.69 0.28 0.00 0.00 177.26 176.85 1wfj s VAL 48 N -1.61 3.93 -1.02 2.41 1.01 -1.26 -4.86 120.40 119.00 1wfj s VAL 48 Ca 0.66 1.51 -0.21 0.00 0.00 0.00 0.00 61.98 63.94 1wfj s VAL 48 Cb -0.51 -3.97 0.08 0.00 0.00 0.00 0.00 36.38 31.98 1wfj s VAL 48 CO 0.56 0.19 1.37 0.00 0.00 0.00 0.00 175.10 177.22 1wfj s ALA 49 N 0.43 3.02 0.07 5.51 0.00 -1.05 -4.98 121.76 124.76 1wfj s ALA 49 Ca 0.54 -2.52 -0.30 0.00 0.00 0.00 0.00 51.96 49.68 1wfj s ALA 49 Cb -0.30 -4.37 -0.05 0.00 0.00 0.00 0.00 23.12 18.41 1wfj s ALA 49 CO 0.32 -3.36 1.00 -1.21 0.00 0.00 0.00 175.76 172.52 1wfj s GLU 50 N 4.05 4.61 -0.95 0.00 2.02 -1.26 -4.05 118.70 123.12 1wfj s GLU 50 Ca 0.42 1.49 -0.19 0.00 0.02 0.00 0.00 54.97 56.71 1wfj s GLU 50 Cb -0.01 -3.40 0.03 0.00 0.10 0.00 0.00 34.13 30.85 1wfj s GLU 50 CO -0.08 0.06 0.58 0.41 0.02 0.00 0.00 175.26 176.25 1wfj n GLY 51 N 2.55 -0.93 0.04 -1.39 0.00 -1.26 -4.86 105.19 99.34 1wfj n GLY 51 Ca 0.04 0.40 -0.04 0.00 0.00 0.00 0.00 46.02 46.42 1wfj n GLY 51 CO 0.00 0.00 0.00 -0.13 0.00 0.00 0.00 173.32 173.19 1wfj n MET 52 N -3.77 2.26 0.00 1.61 1.56 -1.26 -5.12 117.12 112.41 1wfj n MET 52 Ca -0.18 0.01 0.00 0.00 -0.27 0.00 0.00 57.70 57.26 1wfj n MET 52 Cb 0.56 -1.20 0.00 0.00 2.15 0.00 0.00 33.22 34.73 1wfj n MET 52 CO 0.00 0.00 0.00 0.41 -0.73 0.00 0.00 175.97 175.65 1wfj n GLY 53 N 2.63 -1.28 0.16 -5.12 0.00 -1.26 -4.18 105.19 96.14 1wfj n GLY 53 Ca -0.13 -1.85 0.01 0.00 0.00 0.00 0.00 46.02 44.05 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 0.10 -3.18 2.61 -2.24 -0.67 -3.89 114.28 107.02 1wfj n THR 54 Ca 0.00 -0.10 -0.20 0.00 -2.27 0.00 0.00 64.05 61.48 1wfj n THR 54 Cb 0.00 0.02 -0.05 0.00 -2.10 0.00 0.00 70.33 68.20 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 -0.27 -0.39 -2.54 4.28 -2.24 -1.26 -2.68 114.28 109.18 1wfj n THR 55 Ca 0.02 -4.30 -0.34 0.00 -2.27 0.00 0.00 64.05 57.16 1wfj n THR 55 Cb 0.08 -0.95 -0.04 0.00 -2.10 0.00 0.00 70.33 67.32 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 -1.86 3.85 0.31 -0.78 0.04 -1.24 -4.85 135.00 130.48 1wfj s PRO 56 Ca 0.38 1.38 0.07 0.00 0.04 0.00 0.00 61.00 62.87 1wfj s PRO 56 Cb 0.27 -2.16 -0.06 0.00 0.04 0.00 0.00 34.50 32.59 1wfj s PRO 56 CO -0.09 -0.39 -0.04 -2.00 0.04 0.00 0.00 177.00 174.52 1wfj s GLU 57 N -3.13 1.66 0.00 4.56 2.12 -1.26 -2.53 118.70 120.12 1wfj s GLU 57 Ca 0.66 -1.87 0.00 0.00 0.36 0.00 0.00 54.97 54.12 1wfj s GLU 57 Cb -0.17 -1.26 0.00 0.00 0.26 0.00 0.00 34.13 32.96 1wfj s GLU 57 CO 0.21 0.01 0.00 0.91 -0.54 0.00 0.00 175.26 175.85 1wfj n TRP 58 N -0.68 -0.62 -2.82 5.30 8.01 -0.22 -4.79 117.44 121.62 1wfj n TRP 58 Ca -0.05 0.00 -0.20 0.00 -1.31 0.00 0.00 57.50 55.94 1wfj n TRP 58 Cb 0.64 0.43 0.01 0.00 -2.01 0.00 0.00 31.31 30.38 1wfj n TRP 58 CO 0.00 0.00 0.00 0.09 -1.01 0.00 0.00 177.69 176.77 1wfj n ASN 59 N -2.36 -5.14 -2.64 -0.99 3.02 0.11 -4.96 115.26 102.30 1wfj n ASN 59 Ca 0.00 -0.14 -0.08 0.00 -0.03 0.00 0.00 54.58 54.33 1wfj n ASN 59 Cb 0.00 -4.24 0.05 0.00 -0.61 0.00 0.00 39.78 34.98 1wfj n ASN 59 CO 0.00 0.00 0.00 -0.62 -2.62 0.00 0.00 177.26 174.02 1wfj n GLU 60 N -3.47 -0.04 -3.66 3.52 -0.58 -1.02 -4.91 120.64 110.49 1wfj n GLU 60 Ca -0.13 -0.69 -0.08 0.00 -0.42 0.00 0.00 57.16 55.84 1wfj n GLU 60 Cb 0.62 -0.31 -0.09 0.00 -0.57 0.00 0.00 31.44 31.09 1wfj n GLU 60 CO 0.00 0.00 0.00 0.99 -0.48 0.00 0.00 177.13 177.64 1wfj s THR 61 N -1.37 -0.65 -0.04 2.62 2.01 -1.26 -3.15 115.64 113.81 1wfj s THR 61 Ca 0.21 0.15 0.06 0.00 0.31 0.00 0.00 61.69 62.42 1wfj s THR 61 Cb -0.01 -0.69 -0.02 0.00 0.01 0.00 0.00 72.50 71.79 1wfj s THR 61 CO 0.14 0.06 -0.22 -0.36 -0.69 0.00 0.00 174.62 173.56 1wfj s PHE 62 N 2.59 2.48 0.05 4.92 0.40 0.33 -4.94 117.98 123.81 1wfj s PHE 62 Ca -0.02 -0.45 0.04 0.00 -0.60 0.00 0.00 56.93 55.90 1wfj s PHE 62 Cb -0.12 -1.58 -0.04 0.00 0.51 0.00 0.00 43.02 41.80 1wfj s PHE 62 CO -0.13 -0.03 -0.03 0.42 0.70 0.00 0.00 175.22 176.14 1wfj s ILE 63 N -0.48 3.85 -0.14 0.64 -1.09 -1.26 0.14 121.20 122.86 1wfj s ILE 63 Ca 0.06 -0.90 -0.06 0.00 -2.23 0.00 0.00 60.65 57.52 1wfj s ILE 63 Cb -0.11 -2.77 0.07 0.00 -1.58 0.00 0.00 42.46 38.07 1wfj s ILE 63 CO 0.01 0.24 0.31 -0.36 -1.23 0.00 0.00 174.94 173.91 1wfj s PHE 64 N -1.17 -0.51 0.16 3.97 0.08 -0.05 -4.97 117.98 115.50 1wfj s PHE 64 Ca 0.22 1.10 -0.32 0.00 0.12 0.00 0.00 56.93 58.05 1wfj s PHE 64 Cb -0.11 0.09 -0.11 0.00 -0.57 0.00 0.00 43.02 42.32 1wfj s PHE 64 CO 0.13 -0.36 1.68 0.99 -0.10 0.00 0.00 175.22 177.57 1wfj s THR 65 N 2.12 2.43 -0.03 0.64 2.01 -1.26 -0.31 115.64 121.24 1wfj s THR 65 Ca -0.03 0.22 0.03 0.00 0.31 0.00 0.00 61.69 62.22 1wfj s THR 65 Cb -0.11 -3.14 -0.03 0.00 0.01 0.00 0.00 72.50 69.23 1wfj s THR 65 CO -0.10 0.01 -0.09 -0.69 -0.69 0.00 0.00 174.62 173.06 1wfj s VAL 66 N 1.62 3.46 0.45 3.82 1.01 0.27 -4.88 120.40 126.15 1wfj s VAL 66 Ca 0.74 -0.70 0.00 0.00 0.00 0.00 0.00 61.98 62.03 1wfj s VAL 66 Cb -0.46 -2.44 0.00 0.00 0.00 0.00 0.00 36.38 33.48 1wfj s VAL 66 CO 0.33 0.50 0.00 -0.24 0.00 0.00 0.00 175.10 175.69 1wfj n SER 67 N 1.96 -3.80 -3.69 3.32 2.88 -1.26 -2.40 113.62 110.62 1wfj n SER 67 Ca -0.17 0.85 -0.12 0.00 -1.33 0.00 0.00 58.87 58.10 1wfj n SER 67 Cb 0.53 3.56 -0.09 0.00 -0.75 0.00 0.00 64.21 67.46 1wfj n SER 67 CO 0.00 0.00 0.00 -1.83 -1.23 0.00 0.00 175.04 171.98 1wfj s GLU 68 N -1.93 0.58 0.00 -1.46 -1.05 -1.26 -4.65 118.70 108.93 1wfj s GLU 68 Ca 0.00 0.80 0.00 0.00 -0.15 0.00 0.00 54.97 55.62 1wfj s GLU 68 Cb 0.00 0.22 0.00 0.00 -0.44 0.00 0.00 34.13 33.91 1wfj s GLU 68 CO 0.00 -0.10 0.00 0.41 0.95 0.00 0.00 175.26 176.52 1wfj n GLY 69 N 3.24 2.13 3.56 -3.83 0.00 -1.26 -4.93 105.19 104.10 1wfj n GLY 69 Ca -0.16 -0.34 -0.29 0.00 0.00 0.00 0.00 46.02 45.23 1wfj n GLY 69 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1wfj s THR 70 N 0.00 3.27 0.00 2.61 2.01 -1.26 -4.54 115.64 117.73 1wfj s THR 70 Ca 0.00 -0.07 0.00 0.00 0.31 0.00 0.00 61.69 61.93 1wfj s THR 70 Cb 0.00 -3.66 0.00 0.00 0.01 0.00 0.00 72.50 68.85 1wfj s THR 70 CO 0.00 -0.63 0.61 0.35 -0.69 0.00 0.00 174.62 174.27 1wfj n THR 71 N 7.86 0.31 -3.58 -0.82 -2.24 -1.26 -4.69 114.28 109.86 1wfj n THR 71 Ca 0.35 -0.33 -0.15 0.00 -2.27 0.00 0.00 64.05 61.65 1wfj n THR 71 Cb 0.49 0.93 -0.06 0.00 -2.10 0.00 0.00 70.33 69.58 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 -0.31 0.90 0.00 -0.78 -1.05 -1.26 0.07 118.70 116.27 1wfj s GLU 72 Ca 0.00 0.56 0.00 0.00 -0.15 0.00 0.00 54.97 55.38 1wfj s GLU 72 Cb 0.00 0.43 -0.04 0.00 -0.44 0.00 0.00 34.13 34.08 1wfj s GLU 72 CO 0.00 -0.21 0.07 -1.17 0.95 0.00 0.00 175.26 174.90 1wfj s LEU 73 N -0.47 3.86 -0.22 1.83 2.96 0.76 -4.86 118.68 122.53 1wfj s LEU 73 Ca -0.05 0.12 -0.07 0.00 -0.22 0.00 0.00 54.13 53.92 1wfj s LEU 73 Cb -0.02 -2.27 -0.03 0.00 0.50 0.00 0.00 46.19 44.37 1wfj s LEU 73 CO 0.05 0.26 0.05 -0.54 -1.32 0.00 0.00 176.35 174.85 1wfj s LYS 74 N -1.77 3.70 -0.32 1.98 3.01 -0.77 -0.90 119.74 124.67 1wfj s LYS 74 Ca 0.23 -0.47 0.04 0.00 -1.01 0.00 0.00 55.97 54.76 1wfj s LYS 74 Cb -0.12 -3.22 0.09 0.00 -1.01 0.00 0.00 37.83 33.57 1wfj s LYS 74 CO 0.14 -0.04 0.01 0.00 0.51 0.00 0.00 175.35 175.97 1wfj s ALA 75 N 1.18 2.76 -0.26 5.17 0.00 -0.74 -1.35 121.76 128.53 1wfj s ALA 75 Ca 0.04 -2.30 -0.10 0.00 0.00 0.00 0.00 51.96 49.61 1wfj s ALA 75 Cb -0.14 -1.85 -0.04 0.00 0.00 0.00 0.00 23.12 21.08 1wfj s ALA 75 CO 0.03 -1.55 0.14 0.15 0.00 0.00 0.00 175.76 174.53 1wfj s LYS 76 N 0.98 3.87 -0.00 0.00 1.02 -1.24 0.07 119.74 124.43 1wfj s LYS 76 Ca 0.05 -0.37 -0.27 0.00 0.02 0.00 0.00 55.97 55.41 1wfj s LYS 76 Cb -0.19 -3.52 -0.04 0.00 -0.52 0.00 0.00 37.83 33.56 1wfj s LYS 76 CO -0.08 -0.14 0.85 0.42 -0.92 0.00 0.00 175.35 175.49 1wfj s ILE 77 N 1.58 4.87 0.15 2.17 1.09 0.50 -1.66 121.20 129.90 1wfj s ILE 77 Ca 0.07 1.79 0.02 0.00 -1.10 0.00 0.00 60.65 61.43 1wfj s ILE 77 Cb -0.15 -4.20 -0.01 0.00 -1.06 0.00 0.00 42.46 37.04 1wfj s ILE 77 CO 0.08 0.24 0.08 0.49 -0.10 0.00 0.00 174.94 175.73 1wfj n PHE 78 N 3.56 -0.10 -4.87 3.97 3.72 -0.01 0.30 117.46 124.04 1wfj n PHE 78 Ca 0.02 -1.10 -0.28 0.00 -0.05 0.00 0.00 57.45 56.05 1wfj n PHE 78 Cb 0.51 0.05 -0.17 0.00 -0.94 0.00 0.00 39.48 38.93 1wfj n PHE 78 CO 0.00 0.00 0.00 0.34 -0.05 0.00 0.00 176.76 177.05 1wfj s ASP 79 N -1.99 2.35 0.39 4.37 -1.08 -1.26 -1.10 116.67 118.36 1wfj s ASP 79 Ca 0.12 -0.41 0.23 0.00 -0.52 0.00 0.00 52.55 51.96 1wfj s ASP 79 Cb 0.01 -1.04 1.28 0.00 -1.46 0.00 0.00 42.92 41.70 1wfj s ASP 79 CO 0.08 0.10 1.64 0.50 0.52 0.00 0.00 175.17 178.01 1wfj h LYS 80 N 6.79 0.17 -1.66 4.34 3.64 0.00 1.54 116.57 131.39 1wfj h LYS 80 Ca -0.26 -0.01 -0.34 0.00 -1.27 0.00 0.00 60.65 58.77 1wfj h LYS 80 Cb 1.21 -0.04 -0.14 0.00 -0.41 0.00 0.00 32.23 32.85 1wfj h LYS 80 CO 0.47 0.11 0.36 -0.25 -2.27 0.00 0.00 179.45 177.88 1wfj n ASP 81 N -4.89 6.37 -3.60 4.20 9.92 -1.26 -4.80 116.55 122.49 1wfj n ASP 81 Ca 0.34 -3.04 -0.16 0.00 -0.53 0.00 0.00 54.79 51.41 1wfj n ASP 81 Cb 1.22 -1.11 -0.07 0.00 -0.64 0.00 0.00 41.12 40.52 1wfj n ASP 81 CO 0.00 0.00 0.00 -0.69 0.13 0.00 0.00 177.20 176.64 1wfj s VAL 82 N -2.05 0.01 -0.05 2.53 1.01 0.52 -5.15 120.40 117.23 1wfj s VAL 82 Ca 0.36 -0.07 -0.17 0.00 0.00 0.00 0.00 61.98 62.11 1wfj s VAL 82 Cb 0.26 -0.91 -0.05 0.00 0.00 0.00 0.00 36.38 35.68 1wfj s VAL 82 CO -0.05 -0.04 0.46 -0.83 0.00 0.00 0.00 175.10 174.64 1wfj s GLY 83 N -0.74 2.46 0.49 4.51 0.00 -1.26 -4.62 107.32 108.16 1wfj s GLY 83 Ca -0.08 -0.18 0.42 0.00 0.00 0.00 0.00 44.72 44.89 1wfj s GLY 83 CO 0.06 0.49 1.46 -1.30 0.00 0.00 0.00 173.10 173.82 1wfj n THR 84 N 2.74 -0.07 -2.10 0.90 -2.24 -1.26 0.18 114.28 112.43 1wfj n THR 84 Ca -0.10 1.49 -0.37 0.00 -2.27 0.00 0.00 64.05 62.80 1wfj n THR 84 Cb 0.52 -2.46 0.03 0.00 -2.10 0.00 0.00 70.33 66.31 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 -4.04 3.06 0.07 -0.78 1.02 -1.26 -4.51 120.64 114.19 1wfj n GLU 85 Ca 0.41 -3.82 0.00 0.00 -0.02 0.00 0.00 57.16 53.72 1wfj n GLU 85 Cb 1.77 -2.28 0.00 0.00 -0.02 0.00 0.00 31.44 30.91 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 -0.49 0.32 -3.15 1.62 -0.08 0.49 -5.11 116.55 110.14 1wfj n ASP 86 Ca 0.50 0.21 0.05 0.00 -1.51 0.00 0.00 54.79 54.04 1wfj n ASP 86 Cb 0.33 0.02 -0.03 0.00 2.34 0.00 0.00 41.12 43.78 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 -5.18 -0.03 -0.32 1.67 2.15 -1.25 -5.03 116.67 108.68 1wfj s ASP 87 Ca 0.00 0.03 -0.27 0.00 0.43 0.00 0.00 52.55 52.74 1wfj s ASP 87 Cb 0.00 1.03 0.01 0.00 -0.30 0.00 0.00 42.92 43.66 1wfj s ASP 87 CO 0.00 -0.01 0.96 0.00 -0.17 0.00 0.00 175.17 175.95 1wfj s ALA 88 N 2.60 3.49 0.58 3.66 0.00 -1.26 -4.68 121.76 126.15 1wfj s ALA 88 Ca -0.06 -0.25 0.37 0.00 0.00 0.00 0.00 51.96 52.03 1wfj s ALA 88 Cb -0.05 -3.53 1.39 0.00 0.00 0.00 0.00 23.12 20.93 1wfj s ALA 88 CO -0.10 -1.42 1.56 -0.39 0.00 0.00 0.00 175.76 175.40 1wfj h VAL 89 N 5.71 0.11 0.00 0.00 -1.51 -0.46 -3.43 116.25 116.67 1wfj h VAL 89 Ca -0.22 0.00 0.00 0.00 -1.23 0.00 0.00 66.70 65.25 1wfj h VAL 89 Cb 1.07 0.14 0.00 0.00 -2.13 0.00 0.00 31.29 30.38 1wfj h VAL 89 CO 0.98 0.00 0.00 0.61 -1.23 0.00 0.00 177.57 177.93 1wfj n GLY 90 N -1.78 -1.12 3.56 5.19 0.00 -0.99 -4.78 105.19 105.27 1wfj n GLY 90 Ca 0.30 -1.01 -0.09 0.00 0.00 0.00 0.00 46.02 45.21 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 -1.98 1.53 -0.00 1.61 4.04 0.43 0.19 118.70 124.52 1wfj s GLU 91 Ca 0.00 -1.29 -0.23 0.00 0.04 0.00 0.00 54.97 53.49 1wfj s GLU 91 Cb 0.00 0.46 0.05 0.00 0.02 0.00 0.00 34.13 34.66 1wfj s GLU 91 CO 0.00 -0.63 0.51 0.00 -1.84 0.00 0.00 175.26 173.30 1wfj s ALA 92 N -4.01 -1.32 -0.28 -0.84 0.00 0.11 -0.28 121.76 115.15 1wfj s ALA 92 Ca 0.24 0.75 -0.04 0.00 0.00 0.00 0.00 51.96 52.91 1wfj s ALA 92 Cb -0.00 0.17 0.02 0.00 0.00 0.00 0.00 23.12 23.31 1wfj s ALA 92 CO 0.09 -0.39 0.01 0.99 0.00 0.00 0.00 175.76 176.46 1wfj s THR 93 N -1.74 3.39 -0.46 0.00 2.01 -1.26 -1.78 115.64 115.80 1wfj s THR 93 Ca -0.09 -0.93 -0.07 0.00 0.31 0.00 0.00 61.69 60.92 1wfj s THR 93 Cb -0.02 -2.77 0.12 0.00 0.01 0.00 0.00 72.50 69.84 1wfj s THR 93 CO 0.04 0.10 0.30 -0.63 -0.69 0.00 0.00 174.62 173.73 1wfj s ILE 94 N 1.40 3.85 0.23 1.82 1.01 -0.08 -4.91 121.20 124.51 1wfj s ILE 94 Ca 0.01 -1.94 -0.30 0.00 0.00 0.00 0.00 60.65 58.42 1wfj s ILE 94 Cb -0.17 -3.57 -0.09 0.00 0.01 0.00 0.00 42.46 38.64 1wfj s ILE 94 CO -0.01 -0.75 1.10 -2.16 0.00 0.00 0.00 174.94 173.12 1wfj s PRO 95 N 1.22 4.62 -0.11 2.79 0.04 -1.26 0.27 135.00 142.56 1wfj s PRO 95 Ca 0.07 1.76 0.18 0.00 0.04 0.00 0.00 61.00 63.05 1wfj s PRO 95 Cb -0.25 -3.24 0.70 0.00 0.04 0.00 0.00 34.50 31.76 1wfj s PRO 95 CO -0.02 0.14 1.60 1.28 0.04 0.00 0.00 177.00 180.04 1wfj n LEU 96 N 1.83 4.60 0.08 -3.56 4.77 0.11 -4.19 117.00 120.65 1wfj n LEU 96 Ca 0.01 -2.32 -0.07 0.00 -0.03 0.00 0.00 56.01 53.60 1wfj n LEU 96 Cb 0.45 -0.57 0.05 0.00 -2.33 0.00 0.00 43.42 41.02 1wfj n LEU 96 CO 0.54 0.78 0.35 -0.08 -1.33 0.00 0.00 177.39 177.65 1wfj h GLU 97 N 3.95 0.21 0.00 3.23 4.81 -1.91 0.12 114.58 125.00 1wfj h GLU 97 Ca 0.00 -0.19 -0.09 0.00 -0.13 0.00 0.00 59.36 58.95 1wfj h GLU 97 Cb 1.41 0.04 -0.01 0.00 0.63 0.00 0.00 28.75 30.82 1wfj h GLU 97 CO 0.23 0.87 -0.45 -1.00 -0.73 0.00 0.00 179.01 177.93 1wfj h PRO 98 N 0.14 0.00 0.00 0.92 0.13 -1.92 -2.85 132.00 128.41 1wfj h PRO 98 Ca -0.03 0.00 -0.18 0.00 -0.87 0.00 0.00 66.00 64.93 1wfj h PRO 98 Cb 1.33 0.00 -0.03 0.00 0.13 0.00 0.00 31.00 32.42 1wfj h PRO 98 CO 0.12 0.45 -1.45 1.33 -0.23 0.00 0.00 178.00 178.21 1wfj n VAL 99 N -3.42 1.20 0.18 1.56 0.24 -1.16 -1.80 118.33 115.12 1wfj n VAL 99 Ca 0.00 -0.70 0.02 0.00 -2.04 0.00 0.00 64.34 61.63 1wfj n VAL 99 Cb 0.60 -0.75 0.34 0.00 -1.47 0.00 0.00 33.84 32.56 1wfj n VAL 99 CO 0.00 0.00 0.00 -0.26 -2.14 0.00 0.00 176.83 174.43 1wfj h PHE 100 N 0.00 0.00 0.01 6.34 -1.00 -0.66 1.74 116.94 123.37 1wfj h PHE 100 Ca -0.18 0.00 -0.37 0.00 2.81 0.00 0.00 57.97 60.23 1wfj h PHE 100 Cb 1.61 0.00 -0.05 0.00 3.61 0.00 0.00 35.95 41.12 1wfj h PHE 100 CO 0.00 0.41 -2.08 1.33 -1.61 0.00 0.00 178.31 176.36 1wfj n VAL 101 N -3.98 1.55 -0.05 -0.55 0.24 -1.09 -4.49 118.33 109.96 1wfj n VAL 101 Ca -0.02 -0.31 -0.15 0.00 -2.04 0.00 0.00 64.34 61.82 1wfj n VAL 101 Cb 0.45 -1.88 -0.07 0.00 -1.47 0.00 0.00 33.84 30.87 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 -0.81 0.61 0.00 7.34 4.39 -1.41 -3.47 114.58 121.22 1wfj h GLU 102 Ca -0.55 -0.43 0.00 0.00 0.34 0.00 0.00 59.36 58.72 1wfj h GLU 102 Cb 1.58 0.07 0.00 0.00 -0.10 0.00 0.00 28.75 30.29 1wfj h GLU 102 CO -0.28 1.05 0.00 0.41 -1.16 0.00 0.00 179.01 179.03 1wfj n GLY 103 N 0.52 0.76 3.57 -3.84 0.00 0.59 -4.98 105.19 101.80 1wfj n GLY 103 Ca -0.07 0.00 -0.01 0.00 0.00 0.00 0.00 46.02 45.94 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 -2.18 -0.58 -0.01 1.61 1.04 -1.24 -2.45 113.70 109.89 1wfj s SER 104 Ca 0.00 0.88 0.06 0.00 0.48 0.00 0.00 55.95 57.36 1wfj s SER 104 Cb 0.00 1.40 -0.02 0.00 0.10 0.00 0.00 66.02 67.50 1wfj s SER 104 CO 0.00 -0.13 -0.18 -0.63 0.98 0.00 0.00 173.24 173.28 1wfj s ILE 105 N 1.75 1.41 0.92 -1.02 -1.09 0.32 -4.89 121.20 118.60 1wfj s ILE 105 Ca -0.07 -0.81 -0.12 0.00 -2.23 0.00 0.00 60.65 57.41 1wfj s ILE 105 Cb -0.05 -1.18 0.14 0.00 -1.58 0.00 0.00 42.46 39.79 1wfj s ILE 105 CO -0.16 0.36 1.14 -2.16 -1.23 0.00 0.00 174.94 172.89 1wfj s PRO 106 N -0.53 1.09 -0.37 2.79 0.04 -1.26 -2.11 135.00 134.65 1wfj s PRO 106 Ca 0.07 0.27 -0.29 0.00 0.04 0.00 0.00 61.00 61.09 1wfj s PRO 106 Cb -0.07 -1.84 0.01 0.00 0.04 0.00 0.00 34.50 32.64 1wfj s PRO 106 CO -0.00 -2.23 1.39 -1.25 0.04 0.00 0.00 177.00 174.95 1wfj s PRO 107 N -5.29 3.69 0.00 0.56 0.04 -1.26 -4.25 135.00 128.49 1wfj s PRO 107 Ca 0.64 1.06 0.08 0.00 0.04 0.00 0.00 61.00 62.82 1wfj s PRO 107 Cb -0.14 -3.98 -0.02 0.00 0.04 0.00 0.00 34.50 30.39 1wfj s PRO 107 CO 0.53 -1.42 -0.25 0.99 0.04 0.00 0.00 177.00 176.90 1wfj s THR 108 N 5.10 2.23 -0.62 1.26 2.01 -1.08 -4.71 115.64 119.83 1wfj s THR 108 Ca 0.60 -1.18 -0.27 0.00 0.31 0.00 0.00 61.69 61.16 1wfj s THR 108 Cb -0.15 -1.82 -0.01 0.00 0.01 0.00 0.00 72.50 70.52 1wfj s THR 108 CO 0.30 0.49 1.78 0.00 -0.69 0.00 0.00 174.62 176.50 1wfj s ALA 109 N -0.71 2.26 0.12 7.40 0.00 -1.26 -2.46 121.76 127.11 1wfj s ALA 109 Ca 0.11 -0.72 -0.30 0.00 0.00 0.00 0.00 51.96 51.05 1wfj s ALA 109 Cb -0.10 -4.29 -0.06 0.00 0.00 0.00 0.00 23.12 18.67 1wfj s ALA 109 CO 0.01 -3.79 0.95 0.71 0.00 0.00 0.00 175.76 173.64 1wfj s TYR 110 N 8.60 3.83 -0.17 0.00 2.02 0.37 -4.59 117.35 127.41 1wfj s TYR 110 Ca 0.63 1.80 -0.38 0.00 -0.37 0.00 0.00 57.07 58.75 1wfj s TYR 110 Cb -0.12 -3.04 -0.15 0.00 -0.40 0.00 0.00 41.96 38.25 1wfj s TYR 110 CO 0.20 0.24 1.70 0.09 -1.57 0.00 0.00 175.55 176.21 1wfj n ASN 111 N 2.65 2.50 -4.33 2.29 4.13 -1.26 -0.09 115.26 121.15 1wfj n ASN 111 Ca 0.02 1.06 -0.39 0.00 1.68 0.00 0.00 54.58 56.95 1wfj n ASN 111 Cb 0.49 -1.20 -0.12 0.00 -1.54 0.00 0.00 39.78 37.41 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 3.06 4.17 0.43 2.41 1.01 0.15 -4.34 120.40 127.29 1wfj s VAL 112 Ca 0.94 -0.92 0.07 0.00 0.00 0.00 0.00 61.98 62.08 1wfj s VAL 112 Cb -0.97 -3.30 -0.03 0.00 0.00 0.00 0.00 36.38 32.08 1wfj s VAL 112 CO 0.59 -0.15 0.27 0.68 0.00 0.00 0.00 175.10 176.49 1wfj s VAL 113 N 1.49 2.32 -0.34 2.92 -7.23 0.61 0.10 120.40 120.27 1wfj s VAL 113 Ca 0.01 -1.56 0.02 0.00 -1.81 0.00 0.00 61.98 58.64 1wfj s VAL 113 Cb -0.19 -2.88 0.15 0.00 0.56 0.00 0.00 36.38 34.02 1wfj s VAL 113 CO 0.04 0.00 0.36 -0.75 -0.31 0.00 0.00 175.10 174.44 1wfj s LYS 114 N -4.02 0.53 0.00 4.82 2.36 0.28 0.16 119.74 123.87 1wfj s LYS 114 Ca 0.42 -0.55 0.00 0.00 -2.55 0.00 0.00 55.97 53.28 1wfj s LYS 114 Cb 0.01 -0.65 0.00 0.00 -1.05 0.00 0.00 37.83 36.14 1wfj s LYS 114 CO 0.24 -1.13 0.00 -3.47 1.55 0.00 0.00 175.35 172.53 1wfj n ASP 115 N 4.66 0.00 0.00 1.43 -0.08 -1.26 -3.11 116.55 118.19 1wfj n ASP 115 Ca 0.06 0.00 0.00 0.00 -1.51 0.00 0.00 54.79 53.34 1wfj n ASP 115 Cb 0.46 0.00 0.00 0.00 2.34 0.00 0.00 41.12 43.92 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 -0.65 0.00 -3.07 -0.67 0.28 -1.26 -5.14 120.64 110.13 1wfj n GLU 116 Ca 0.00 0.00 -0.32 0.00 -0.16 0.00 0.00 57.16 56.68 1wfj n GLU 116 Cb 0.00 0.00 -0.05 0.00 1.43 0.00 0.00 31.44 32.82 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 3.91 -0.27 3.44 0.41 -1.18 -5.00 118.70 120.01 1wfj s GLU 117 Ca 0.00 0.57 -0.21 0.00 -0.41 0.00 0.00 54.97 54.92 1wfj s GLU 117 Cb 0.00 -2.43 -0.01 0.00 -1.78 0.00 0.00 34.13 29.90 1wfj s GLU 117 CO 0.00 0.11 0.66 -0.47 -0.49 0.00 0.00 175.26 175.06 1wfj s TYR 118 N -2.10 3.26 -0.19 1.61 5.04 -1.26 1.00 117.35 124.70 1wfj s TYR 118 Ca 0.53 0.78 -0.19 0.00 -2.44 0.00 0.00 57.07 55.74 1wfj s TYR 118 Cb -0.10 -2.93 -0.16 0.00 0.35 0.00 0.00 41.96 39.12 1wfj s TYR 118 CO 0.22 -0.39 0.13 0.87 -1.34 0.00 0.00 175.55 175.04 1wfj h LYS 119 N 7.98 0.00 0.00 4.97 1.79 0.38 -3.48 116.57 128.21 1wfj h LYS 119 Ca -0.26 0.00 0.00 0.00 -2.18 0.00 0.00 60.65 58.21 1wfj h LYS 119 Cb 1.12 0.00 0.00 0.00 -1.58 0.00 0.00 32.23 31.77 1wfj h LYS 119 CO 0.80 0.78 0.00 0.41 -1.08 0.00 0.00 179.45 180.36 1wfj n GLY 120 N 1.47 1.57 3.07 3.86 0.00 -0.79 -3.70 105.19 110.66 1wfj n GLY 120 Ca -0.27 0.12 -0.11 0.00 0.00 0.00 0.00 46.02 45.76 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 4.55 0.39 -0.16 1.61 -1.05 -0.22 0.29 118.70 124.10 1wfj s GLU 121 Ca 0.00 -0.30 0.02 0.00 -0.15 0.00 0.00 54.97 54.54 1wfj s GLU 121 Cb 0.00 0.16 0.02 0.00 -0.44 0.00 0.00 34.13 33.87 1wfj s GLU 121 CO 0.00 -0.08 -0.21 -1.50 0.95 0.00 0.00 175.26 174.42 1wfj s ILE 122 N -1.07 2.06 -0.15 1.83 2.07 0.87 -1.29 121.20 125.51 1wfj s ILE 122 Ca -0.12 -0.96 -0.25 0.00 -1.41 0.00 0.00 60.65 57.91 1wfj s ILE 122 Cb -0.06 -1.84 -0.02 0.00 0.13 0.00 0.00 42.46 40.67 1wfj s ILE 122 CO 0.01 0.54 0.83 0.26 -1.91 0.00 0.00 174.94 174.68 1wfj s TRP 123 N 1.07 3.44 -0.16 3.50 0.52 0.26 0.14 118.94 127.71 1wfj s TRP 123 Ca -0.01 1.28 -0.12 0.00 0.02 0.00 0.00 56.10 57.28 1wfj s TRP 123 Cb -0.14 -3.01 0.05 0.00 -1.15 0.00 0.00 33.47 29.22 1wfj s TRP 123 CO -0.08 -0.21 0.41 0.08 0.02 0.00 0.00 176.95 177.18 1wfj s VAL 124 N 2.01 -0.01 -0.08 4.03 1.01 -1.03 -2.96 120.40 123.38 1wfj s VAL 124 Ca 0.39 0.05 0.04 0.00 0.00 0.00 0.00 61.98 62.46 1wfj s VAL 124 Cb -0.17 -0.60 -0.01 0.00 0.00 0.00 0.00 36.38 35.60 1wfj s VAL 124 CO 0.13 0.02 -0.20 0.00 0.00 0.00 0.00 175.10 175.05 1wfj s ALA 125 N 0.82 2.37 0.27 5.51 0.00 -0.86 -2.63 121.76 127.24 1wfj s ALA 125 Ca -0.05 -0.99 0.07 0.00 0.00 0.00 0.00 51.96 51.00 1wfj s ALA 125 Cb -0.06 -0.88 -0.03 0.00 0.00 0.00 0.00 23.12 22.15 1wfj s ALA 125 CO -0.06 0.39 0.22 -0.51 0.00 0.00 0.00 175.76 175.79 1wfj s LEU 126 N -0.08 3.75 -0.46 0.00 1.43 -0.90 0.57 118.68 122.99 1wfj s LEU 126 Ca -0.05 -0.32 0.06 0.00 -1.03 0.00 0.00 54.13 52.80 1wfj s LEU 126 Cb -0.14 -2.30 0.21 0.00 0.03 0.00 0.00 46.19 43.99 1wfj s LEU 126 CO 0.04 -0.12 0.65 -0.24 0.23 0.00 0.00 176.35 176.91 1wfj n SER 127 N -1.23 -1.84 -4.55 2.29 2.88 0.98 -0.52 113.62 111.64 1wfj n SER 127 Ca -0.06 -2.87 -0.33 0.00 -1.33 0.00 0.00 58.87 54.28 1wfj n SER 127 Cb 0.58 0.75 0.12 0.00 -0.75 0.00 0.00 64.21 64.92 1wfj n SER 127 CO 0.00 0.00 0.00 0.33 -1.23 0.00 0.00 175.04 174.14 1wfj n PHE 128 N 2.18 -0.18 -3.45 0.66 7.35 -1.03 -3.19 117.46 119.81 1wfj n PHE 128 Ca 0.18 0.33 -0.26 0.00 -0.76 0.00 0.00 57.45 56.94 1wfj n PHE 128 Cb 0.56 -1.93 -0.11 0.00 0.35 0.00 0.00 39.48 38.34 1wfj n PHE 128 CO 0.00 0.00 0.00 0.15 -0.76 0.00 0.00 176.76 176.15 1wfj s LYS 129 N -3.80 0.53 0.36 -4.13 1.02 0.19 -4.63 119.74 109.28 1wfj s LYS 129 Ca 0.65 -1.15 -0.26 0.00 0.02 0.00 0.00 55.97 55.23 1wfj s LYS 129 Cb -0.26 -1.16 -0.09 0.00 -0.52 0.00 0.00 37.83 35.80 1wfj s LYS 129 CO 0.60 -1.19 1.06 -1.25 -0.92 0.00 0.00 175.35 173.65 1wfj s PRO 130 N 1.25 4.32 -0.89 -1.68 0.04 -1.26 -0.96 135.00 135.81 1wfj s PRO 130 Ca 0.17 1.60 -0.07 0.00 0.04 0.00 0.00 61.00 62.75 1wfj s PRO 130 Cb -0.21 -2.76 -0.10 0.00 0.04 0.00 0.00 34.50 31.47 1wfj s PRO 130 CO -0.03 -0.02 2.52 0.43 0.04 0.00 0.00 177.00 179.93 1wfj n SER 131 N 0.35 5.75 -1.63 6.66 7.64 -1.19 -4.81 113.62 126.39 1wfj n SER 131 Ca 0.03 -2.36 0.00 0.00 1.01 0.00 0.00 58.87 57.55 1wfj n SER 131 Cb 0.48 -1.21 0.00 0.00 -1.01 0.00 0.00 64.21 62.47 1wfj n SER 131 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 1wfj n GLY 132 N 3.43 1.01 3.56 0.23 0.00 -1.26 -4.88 105.19 107.28 1wfj n GLY 132 Ca 0.51 -1.48 -0.35 0.00 0.00 0.00 0.00 46.02 44.70 1wfj n GLY 132 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 1wfj s PRO 133 N 0.50 3.06 1.09 1.61 0.04 -1.26 -4.97 135.00 135.07 1wfj s PRO 133 Ca 0.00 -0.58 -0.19 0.00 0.04 0.00 0.00 61.00 60.27 1wfj s PRO 133 Cb 0.00 -5.08 0.10 0.00 0.04 0.00 0.00 34.50 29.56 1wfj s PRO 133 CO 0.00 -2.73 -0.06 0.43 0.04 0.00 0.00 177.00 174.68 1wfj n SER 134 N 11.33 -2.61 0.11 6.66 7.64 -1.26 -4.99 113.62 130.50 1wfj n SER 134 Ca 0.33 -0.20 0.00 0.00 1.01 0.00 0.00 58.87 60.01 1wfj n SER 134 Cb 0.49 -0.86 0.00 0.00 -1.01 0.00 0.00 64.21 62.83 1wfj n SER 134 CO 0.00 0.00 0.00 -1.20 -3.01 0.00 0.00 175.04 170.83 1wfj n SER 135 N -1.17 -0.08 0.00 6.43 7.64 -1.26 -5.27 113.62 119.90 1wfj n SER 135 Ca 0.02 0.37 0.00 0.00 1.01 0.00 0.00 58.87 60.27 1wfj n SER 135 Cb 0.57 0.29 0.00 0.00 -1.01 0.00 0.00 64.21 64.06 1wfj n SER 135 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64