#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1wfj n SER 2 N 0.00 -6.24 -1.36 1.61 2.88 -1.26 -4.85 113.62 104.40 1wfj n SER 2 Ca 0.00 0.37 0.16 0.00 -1.33 0.00 0.00 58.87 58.07 1wfj n SER 2 Cb 0.00 -4.13 -0.07 0.00 -0.75 0.00 0.00 64.21 59.26 1wfj n SER 2 CO 0.00 0.00 0.00 -0.24 -1.23 0.00 0.00 175.04 173.57 1wfj n SER 3 N -0.41 -7.53 0.00 -3.46 2.88 -1.26 -4.62 113.62 99.23 1wfj n SER 3 Ca 0.08 1.09 0.00 0.00 -1.33 0.00 0.00 58.87 58.72 1wfj n SER 3 Cb 0.33 -4.51 0.00 0.00 -0.75 0.00 0.00 64.21 59.28 1wfj n SER 3 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 1wfj n GLY 4 N -4.14 -2.85 1.52 0.46 0.00 -1.26 -4.83 105.19 94.08 1wfj n GLY 4 Ca -0.06 0.20 0.00 0.00 0.00 0.00 0.00 46.02 46.16 1wfj n GLY 4 CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76 1wfj n SER 5 N -1.66 0.45 -3.20 1.61 7.64 -1.26 -5.09 113.62 112.11 1wfj n SER 5 Ca 0.00 0.31 0.04 0.00 1.01 0.00 0.00 58.87 60.22 1wfj n SER 5 Cb 0.00 0.04 -0.04 0.00 -1.01 0.00 0.00 64.21 63.20 1wfj n SER 5 CO 0.00 0.00 0.00 -0.94 -3.01 0.00 0.00 175.04 171.09 1wfj s SER 6 N -5.48 -0.12 0.69 6.43 1.04 -1.26 -5.12 113.70 109.88 1wfj s SER 6 Ca 0.00 0.15 0.00 0.00 0.48 0.00 0.00 55.95 56.58 1wfj s SER 6 Cb 0.00 1.13 0.00 0.00 0.10 0.00 0.00 66.02 67.25 1wfj s SER 6 CO 0.00 -0.02 0.00 0.61 0.98 0.00 0.00 173.24 174.81 1wfj n GLY 7 N 4.62 -0.31 1.21 7.32 0.00 -1.26 -4.64 105.19 112.14 1wfj n GLY 7 Ca -0.07 -1.03 -0.10 0.00 0.00 0.00 0.00 46.02 44.83 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 -0.47 -1.06 -3.64 1.61 -0.04 -1.26 -4.87 135.00 125.26 1wfj n PRO 8 Ca 0.00 -0.63 -0.03 0.00 -0.04 0.00 0.00 63.50 62.80 1wfj n PRO 8 Cb 0.00 -0.49 -0.07 0.00 -0.04 0.00 0.00 33.50 32.90 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 -1.81 -0.34 -3.03 0.54 -3.43 -1.26 -4.54 115.29 101.42 1wfj s HIS 9 Ca 0.24 0.74 0.00 0.00 -0.80 0.00 0.00 55.06 55.24 1wfj s HIS 9 Cb -0.01 0.31 0.00 0.00 -1.43 0.00 0.00 32.58 31.44 1wfj s HIS 9 CO 0.18 -0.17 0.00 0.41 -2.00 0.00 0.00 174.74 173.16 1wfj n GLY 10 N 2.83 -0.34 3.53 -1.38 0.00 -1.24 -3.11 105.19 105.47 1wfj n GLY 10 Ca -0.15 -0.75 -0.30 0.00 0.00 0.00 0.00 46.02 44.82 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 3.10 0.03 2.61 2.01 0.43 -2.32 115.64 117.51 1wfj s THR 11 Ca 0.00 -1.32 0.07 0.00 0.31 0.00 0.00 61.69 60.75 1wfj s THR 11 Cb 0.00 -2.41 -0.03 0.00 0.01 0.00 0.00 72.50 70.06 1wfj s THR 11 CO 0.00 0.16 -0.18 -0.22 -0.69 0.00 0.00 174.62 173.68 1wfj s LEU 12 N -2.03 2.58 -0.15 4.42 1.98 -1.18 0.13 118.68 124.43 1wfj s LEU 12 Ca 0.19 -0.41 0.01 0.00 -2.89 0.00 0.00 54.13 51.03 1wfj s LEU 12 Cb -0.11 -1.51 0.02 0.00 0.66 0.00 0.00 46.19 45.25 1wfj s LEU 12 CO 0.11 0.27 -0.19 -0.70 -1.89 0.00 0.00 176.35 173.95 1wfj s GLU 13 N -1.34 2.73 -0.29 1.98 2.12 0.16 -1.55 118.70 122.50 1wfj s GLU 13 Ca 0.14 -0.74 -0.04 0.00 0.36 0.00 0.00 54.97 54.69 1wfj s GLU 13 Cb -0.10 -2.32 0.03 0.00 0.26 0.00 0.00 34.13 32.00 1wfj s GLU 13 CO 0.05 -0.13 0.03 0.08 -0.54 0.00 0.00 175.26 174.74 1wfj s VAL 14 N 1.13 3.37 -0.87 3.70 1.01 0.16 -0.27 120.40 128.64 1wfj s VAL 14 Ca -0.01 -1.06 -0.11 0.00 0.00 0.00 0.00 61.98 60.80 1wfj s VAL 14 Cb -0.14 -2.82 0.22 0.00 0.00 0.00 0.00 36.38 33.64 1wfj s VAL 14 CO -0.07 0.01 0.80 -0.69 0.00 0.00 0.00 175.10 175.14 1wfj s VAL 15 N 1.36 5.40 -0.85 2.92 1.01 0.23 0.32 120.40 130.80 1wfj s VAL 15 Ca -0.01 -2.80 -0.25 0.00 0.00 0.00 0.00 61.98 58.92 1wfj s VAL 15 Cb -0.18 -4.33 -0.04 0.00 0.00 0.00 0.00 36.38 31.83 1wfj s VAL 15 CO -0.00 -1.05 1.92 -0.22 0.00 0.00 0.00 175.10 175.75 1wfj s LEU 16 N -0.24 3.20 0.00 3.92 2.96 -0.18 -0.81 118.68 127.52 1wfj s LEU 16 Ca 0.21 -0.49 0.00 0.00 -0.22 0.00 0.00 54.13 53.63 1wfj s LEU 16 Cb -0.11 -2.55 0.00 0.00 0.50 0.00 0.00 46.19 44.02 1wfj s LEU 16 CO -0.08 -2.65 0.00 0.52 -1.32 0.00 0.00 176.35 172.81 1wfj n VAL 17 N 7.73 0.00 -3.77 1.68 0.31 -1.01 -0.05 118.33 123.21 1wfj n VAL 17 Ca 0.36 0.17 -0.06 0.00 -0.01 0.00 0.00 64.34 64.80 1wfj n VAL 17 Cb 0.48 -0.64 -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 0.00 -0.57 -3.84 4.52 3.41 -1.12 0.21 113.62 116.23 1wfj n SER 18 Ca 0.00 -1.79 -0.12 0.00 -0.26 0.00 0.00 58.87 56.70 1wfj n SER 18 Cb 0.00 1.06 -0.11 0.00 -0.26 0.00 0.00 64.21 64.90 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 -2.07 -0.41 0.02 7.33 0.00 -0.52 0.12 121.76 126.23 1wfj s ALA 19 Ca 0.12 0.16 0.03 0.00 0.00 0.00 0.00 51.96 52.28 1wfj s ALA 19 Cb -0.00 -0.06 -0.01 0.00 0.00 0.00 0.00 23.12 23.04 1wfj s ALA 19 CO 0.09 -0.16 -0.09 0.15 0.00 0.00 0.00 175.76 175.74 1wfj s LYS 20 N -0.78 0.68 0.17 0.00 1.02 -0.49 -3.25 119.74 117.08 1wfj s LYS 20 Ca -0.09 -0.53 -0.00 0.00 0.02 0.00 0.00 55.97 55.37 1wfj s LYS 20 Cb -0.05 -0.61 0.03 0.00 -0.52 0.00 0.00 37.83 36.68 1wfj s LYS 20 CO 0.01 0.15 0.23 0.41 -0.92 0.00 0.00 175.35 175.24 1wfj n GLY 21 N 2.25 0.56 0.00 -3.33 0.00 -1.25 -1.15 105.19 102.27 1wfj n GLY 21 Ca -0.17 -1.95 0.00 0.00 0.00 0.00 0.00 46.02 43.90 1wfj n GLY 21 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 1wfj n LEU 22 N 0.00 0.00 -0.04 0.99 7.99 -1.25 -4.79 117.00 119.90 1wfj n LEU 22 Ca 0.04 0.00 -0.13 0.00 -0.01 0.00 0.00 56.01 55.91 1wfj n LEU 22 Cb 0.13 0.00 -0.08 0.00 -0.11 0.00 0.00 43.42 43.36 1wfj n LEU 22 CO 0.09 -1.03 0.64 1.05 -1.51 0.00 0.00 177.39 176.63 1wfj h GLU 23 N 0.00 0.21 -2.00 3.23 4.11 -1.99 -3.34 114.58 114.81 1wfj h GLU 23 Ca 0.00 -0.11 -0.55 0.00 0.07 0.00 0.00 59.36 58.78 1wfj h GLU 23 Cb 0.00 -0.00 -0.41 0.00 0.50 0.00 0.00 28.75 28.84 1wfj h GLU 23 CO 0.00 0.61 -0.82 -3.47 0.07 0.00 0.00 179.01 175.40 1wfj n ASP 24 N -4.69 3.47 -3.88 3.06 -0.08 -1.26 -5.00 116.55 108.17 1wfj n ASP 24 Ca -0.07 -3.47 -0.30 0.00 -1.51 0.00 0.00 54.79 49.45 1wfj n ASP 24 Cb 0.30 -0.55 -0.16 0.00 2.34 0.00 0.00 41.12 43.05 1wfj n ASP 24 CO 0.00 0.00 0.00 0.00 0.12 0.00 0.00 177.20 177.32 1wfj s ALA 25 N -3.22 1.79 -1.17 -1.67 0.00 -1.26 -5.04 121.76 111.19 1wfj s ALA 25 Ca 0.45 -1.36 -0.21 0.00 0.00 0.00 0.00 51.96 50.84 1wfj s ALA 25 Cb 0.33 -1.45 -0.06 0.00 0.00 0.00 0.00 23.12 21.94 1wfj s ALA 25 CO -0.12 -1.29 1.90 -3.47 0.00 0.00 0.00 175.76 172.78 1wfj n ASP 26 N 4.73 3.45 -4.08 0.00 2.03 -1.26 -4.38 116.55 117.05 1wfj n ASP 26 Ca -0.09 -2.75 -0.32 0.00 0.52 0.00 0.00 54.79 52.15 1wfj n ASP 26 Cb 0.44 -1.66 -0.15 0.00 -0.72 0.00 0.00 41.12 39.03 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 8.44 3.15 -0.08 -0.67 5.36 -1.26 -4.71 117.98 128.21 1wfj s PHE 27 Ca 0.63 -2.18 -0.00 0.00 -0.96 0.00 0.00 56.93 54.42 1wfj s PHE 27 Cb 0.03 -1.92 -0.00 0.00 -0.34 0.00 0.00 43.02 40.78 1wfj s PHE 27 CO 0.11 -0.86 0.07 1.28 -1.46 0.00 0.00 175.22 174.36 1wfj n LEU 28 N 4.47 -2.23 -3.85 6.12 4.77 -1.26 -4.62 117.00 120.40 1wfj n LEU 28 Ca -0.15 -0.05 -0.15 0.00 -0.03 0.00 0.00 56.01 55.63 1wfj n LEU 28 Cb 0.44 -0.70 -0.15 0.00 -2.33 0.00 0.00 43.42 40.68 1wfj n LEU 28 CO 0.22 0.01 -0.37 0.21 -1.33 0.00 0.00 177.39 176.14 1wfj s ASN 29 N -3.05 0.22 -0.91 -1.43 2.47 -1.26 -3.28 114.94 107.69 1wfj s ASN 29 Ca 0.02 -0.01 0.00 0.00 0.42 0.00 0.00 52.86 53.29 1wfj s ASN 29 Cb -0.00 -0.08 0.00 0.00 -1.45 0.00 0.00 41.25 39.72 1wfj s ASN 29 CO 0.05 -0.04 0.00 0.59 -3.72 0.00 0.00 177.10 173.98 1wfj n ASN 30 N 3.55 -3.62 -2.07 -4.21 3.02 -1.26 -4.97 115.26 105.70 1wfj n ASN 30 Ca -0.19 0.08 -0.07 0.00 -0.03 0.00 0.00 54.58 54.36 1wfj n ASN 30 Cb 0.55 -2.57 -0.01 0.00 -0.61 0.00 0.00 39.78 37.15 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 -2.22 0.46 -3.33 3.52 0.00 -1.26 -5.11 117.12 109.18 1wfj n MET 31 Ca -0.11 -1.46 -0.26 0.00 0.00 0.00 0.00 57.70 55.87 1wfj n MET 31 Cb 0.49 1.50 -0.08 0.00 0.00 0.00 0.00 33.22 35.14 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 -1.69 0.86 -4.81 3.17 8.00 -1.26 -4.67 116.55 116.15 1wfj n ASP 32 Ca -0.01 -2.79 -0.32 0.00 0.71 0.00 0.00 54.79 52.38 1wfj n ASP 32 Cb 0.33 -0.63 0.02 0.00 -0.02 0.00 0.00 41.12 40.81 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 -1.14 3.29 0.02 -0.24 0.04 -1.26 -0.78 135.00 134.93 1wfj s PRO 33 Ca 0.35 1.11 0.02 0.00 0.04 0.00 0.00 61.00 62.52 1wfj s PRO 33 Cb 0.12 -2.03 -0.01 0.00 0.04 0.00 0.00 34.50 32.61 1wfj s PRO 33 CO -0.12 -0.83 -0.06 1.52 0.04 0.00 0.00 177.00 177.56 1wfj s TYR 34 N -2.62 0.50 0.08 0.56 1.13 0.28 -1.41 117.35 115.87 1wfj s TYR 34 Ca 0.62 -0.32 -0.15 0.00 -1.41 0.00 0.00 57.07 55.81 1wfj s TYR 34 Cb -0.15 -0.31 -0.06 0.00 -1.10 0.00 0.00 41.96 40.34 1wfj s TYR 34 CO 0.41 -0.06 0.50 0.08 -2.51 0.00 0.00 175.55 173.97 1wfj s VAL 35 N -0.83 4.89 -0.26 -3.49 1.01 -1.26 -1.26 120.40 119.21 1wfj s VAL 35 Ca -0.06 0.89 0.01 0.00 0.00 0.00 0.00 61.98 62.82 1wfj s VAL 35 Cb -0.06 -3.76 0.07 0.00 0.00 0.00 0.00 36.38 32.63 1wfj s VAL 35 CO 0.00 0.41 -0.00 -1.58 0.00 0.00 0.00 175.10 173.93 1wfj s GLN 36 N -1.51 1.34 0.31 2.72 0.74 -0.99 -2.16 119.66 120.11 1wfj s GLN 36 Ca 0.31 -1.07 -0.25 0.00 0.05 0.00 0.00 55.36 54.40 1wfj s GLN 36 Cb -0.16 -2.51 -0.10 0.00 1.10 0.00 0.00 33.01 31.34 1wfj s GLN 36 CO 0.18 -0.72 0.91 -0.51 -0.55 0.00 0.00 175.29 174.60 1wfj s LEU 37 N 1.42 4.34 0.00 3.68 2.01 0.55 -2.80 118.68 127.88 1wfj s LEU 37 Ca -0.00 1.78 0.03 0.00 0.01 0.00 0.00 54.13 55.94 1wfj s LEU 37 Cb -0.18 -3.95 -0.01 0.00 0.01 0.00 0.00 46.19 42.05 1wfj s LEU 37 CO -0.10 -0.05 -0.08 -0.89 1.01 0.00 0.00 176.35 176.23 1wfj s THR 38 N -1.60 0.65 -0.38 5.49 2.01 -0.13 0.20 115.64 121.88 1wfj s THR 38 Ca 0.49 -0.44 0.02 0.00 0.31 0.00 0.00 61.69 62.07 1wfj s THR 38 Cb -0.18 -0.56 0.15 0.00 0.01 0.00 0.00 72.50 71.92 1wfj s THR 38 CO 0.23 0.12 0.30 0.00 -0.69 0.00 0.00 174.62 174.58 1wfj n ARG 40 N 3.73 -0.64 0.00 0.00 3.00 -1.26 -0.09 116.66 121.40 1wfj n ARG 40 Ca 0.17 0.68 0.00 0.00 -0.01 0.00 0.00 57.85 58.68 1wfj n ARG 40 Cb 0.42 -0.51 0.00 0.00 0.00 0.00 0.00 32.46 32.38 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 1.72 0.00 -3.38 0.55 -2.24 -1.26 -4.94 114.28 104.74 1wfj n THR 41 Ca 0.00 0.00 -0.38 0.00 -2.27 0.00 0.00 64.05 61.40 1wfj n THR 41 Cb 0.06 0.00 -0.06 0.00 -2.10 0.00 0.00 70.33 68.23 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 0.00 4.09 -0.11 -0.78 -0.21 0.87 -5.07 119.66 118.44 1wfj s GLN 42 Ca 0.00 0.58 -0.06 0.00 0.02 0.00 0.00 55.36 55.90 1wfj s GLN 42 Cb 0.00 -3.25 0.05 0.00 1.00 0.00 0.00 33.01 30.81 1wfj s GLN 42 CO 0.00 0.63 0.26 -0.51 -2.12 0.00 0.00 175.29 173.55 1wfj s ASP 43 N -0.96 -0.21 -0.04 5.90 1.11 -1.26 0.19 116.67 121.39 1wfj s ASP 43 Ca 0.26 0.57 -0.02 0.00 0.18 0.00 0.00 52.55 53.55 1wfj s ASP 43 Cb -0.18 0.48 0.03 0.00 1.07 0.00 0.00 42.92 44.32 1wfj s ASP 43 CO 0.16 -0.18 0.06 -1.10 1.18 0.00 0.00 175.17 175.29 1wfj s GLN 44 N 1.42 -0.05 0.23 8.23 -0.21 0.54 -4.96 119.66 124.86 1wfj s GLN 44 Ca -0.08 0.36 0.12 0.00 0.02 0.00 0.00 55.36 55.78 1wfj s GLN 44 Cb -0.10 -0.52 -0.05 0.00 1.00 0.00 0.00 33.01 33.34 1wfj s GLN 44 CO -0.09 -0.32 -0.22 0.21 -2.12 0.00 0.00 175.29 172.75 1wfj s LYS 45 N 2.12 1.59 0.36 2.91 2.20 -1.26 0.21 119.74 127.86 1wfj s LYS 45 Ca 0.04 -1.64 0.08 0.00 -0.36 0.00 0.00 55.97 54.10 1wfj s LYS 45 Cb -0.12 -1.80 -0.04 0.00 -1.51 0.00 0.00 37.83 34.36 1wfj s LYS 45 CO -0.03 0.37 0.19 0.45 -0.36 0.00 0.00 175.35 175.97 1wfj s SER 46 N -3.05 4.75 1.00 1.43 0.15 -0.92 -4.99 113.70 112.06 1wfj s SER 46 Ca 0.25 -0.79 -0.14 0.00 0.70 0.00 0.00 55.95 55.97 1wfj s SER 46 Cb -0.07 -0.69 0.16 0.00 -1.71 0.00 0.00 66.02 63.71 1wfj s SER 46 CO 0.12 -0.39 0.27 0.59 1.20 0.00 0.00 173.24 175.03 1wfj n ASN 47 N -1.24 -2.96 -4.82 5.45 4.13 -1.26 -4.54 115.26 110.03 1wfj n ASN 47 Ca -0.02 -0.36 -0.38 0.00 1.68 0.00 0.00 54.58 55.50 1wfj n ASN 47 Cb 0.62 -0.76 -0.06 0.00 -1.54 0.00 0.00 39.78 38.03 1wfj n ASN 47 CO 0.00 0.00 0.00 0.68 0.28 0.00 0.00 177.26 178.22 1wfj s VAL 48 N -2.08 4.80 -0.88 2.41 -7.23 -1.26 -4.58 120.40 111.58 1wfj s VAL 48 Ca 0.36 1.12 -0.25 0.00 -1.81 0.00 0.00 61.98 61.41 1wfj s VAL 48 Cb -0.06 -3.85 0.00 0.00 0.56 0.00 0.00 36.38 33.03 1wfj s VAL 48 CO 0.35 0.55 1.66 0.00 -0.31 0.00 0.00 175.10 177.34 1wfj s ALA 49 N -1.12 2.27 0.06 1.32 0.00 -0.50 -4.93 121.76 118.87 1wfj s ALA 49 Ca 0.28 -1.64 -0.16 0.00 0.00 0.00 0.00 51.96 50.44 1wfj s ALA 49 Cb -0.19 -4.47 -0.06 0.00 0.00 0.00 0.00 23.12 18.40 1wfj s ALA 49 CO 0.18 -4.04 0.50 -1.21 0.00 0.00 0.00 175.76 171.19 1wfj s GLU 50 N 6.10 4.04 -1.28 0.00 0.41 -1.26 -4.06 118.70 122.64 1wfj s GLU 50 Ca 0.56 0.55 -0.26 0.00 -0.41 0.00 0.00 54.97 55.41 1wfj s GLU 50 Cb -0.05 -3.16 0.03 0.00 -1.78 0.00 0.00 34.13 29.17 1wfj s GLU 50 CO 0.01 0.62 0.56 0.41 -0.49 0.00 0.00 175.26 176.37 1wfj n GLY 51 N 1.52 -0.69 0.02 -1.39 0.00 -1.26 -4.85 105.19 98.54 1wfj n GLY 51 Ca -0.10 0.31 -0.02 0.00 0.00 0.00 0.00 46.02 46.20 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 -4.86 2.46 0.00 1.61 2.81 -1.26 -5.11 117.12 112.76 1wfj n MET 52 Ca -0.16 0.01 0.00 0.00 -1.81 0.00 0.00 57.70 55.74 1wfj n MET 52 Cb 0.60 -1.09 0.00 0.00 -0.71 0.00 0.00 33.22 32.01 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 2.92 0.05 0.09 3.03 0.00 -1.26 -4.07 105.19 105.94 1wfj n GLY 53 Ca -0.07 -1.67 0.06 0.00 0.00 0.00 0.00 46.02 44.34 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 0.05 -3.50 2.61 -2.24 -1.21 -4.21 114.28 105.79 1wfj n THR 54 Ca 0.00 -0.06 -0.27 0.00 -2.27 0.00 0.00 64.05 61.45 1wfj n THR 54 Cb 0.00 -0.09 -0.11 0.00 -2.10 0.00 0.00 70.33 68.04 1wfj n THR 54 CO 0.00 0.00 0.00 0.42 -0.57 0.00 0.00 175.07 174.92 1wfj s THR 55 N -1.95 0.84 0.17 4.28 -4.23 -1.26 -3.89 115.64 109.61 1wfj s THR 55 Ca 0.17 -2.93 -0.30 0.00 -1.18 0.00 0.00 61.69 57.45 1wfj s THR 55 Cb 0.08 -1.58 -0.08 0.00 1.34 0.00 0.00 72.50 72.27 1wfj s THR 55 CO 0.13 -1.18 1.12 -2.16 -0.54 0.00 0.00 174.62 171.99 1wfj s PRO 56 N -0.19 4.57 0.45 3.99 0.04 -1.20 -4.80 135.00 137.85 1wfj s PRO 56 Ca 0.31 1.75 0.05 0.00 0.04 0.00 0.00 61.00 63.14 1wfj s PRO 56 Cb 0.01 -3.27 -0.05 0.00 0.04 0.00 0.00 34.50 31.23 1wfj s PRO 56 CO -0.18 0.03 0.07 -2.00 0.04 0.00 0.00 177.00 174.96 1wfj s GLU 57 N -0.30 2.11 0.00 4.56 2.12 -1.26 -1.44 118.70 124.48 1wfj s GLU 57 Ca 0.50 -2.14 0.00 0.00 0.36 0.00 0.00 54.97 53.69 1wfj s GLU 57 Cb -0.30 -1.71 0.00 0.00 0.26 0.00 0.00 34.13 32.38 1wfj s GLU 57 CO 0.35 -0.20 0.00 0.91 -0.54 0.00 0.00 175.26 175.78 1wfj n TRP 58 N -1.17 0.00 -3.03 5.30 8.01 0.13 -4.74 117.44 121.95 1wfj n TRP 58 Ca -0.08 0.00 -0.17 0.00 -1.31 0.00 0.00 57.50 55.94 1wfj n TRP 58 Cb 0.66 0.00 -0.01 0.00 -2.01 0.00 0.00 31.31 29.95 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 -1.38 -3.02 -4.94 -0.99 4.13 0.92 -4.91 115.26 105.07 1wfj n ASN 59 Ca 0.00 -0.11 -0.24 0.00 1.68 0.00 0.00 54.58 55.91 1wfj n ASN 59 Cb 0.00 -2.57 0.03 0.00 -1.54 0.00 0.00 39.78 35.70 1wfj n ASN 59 CO 0.00 0.00 0.00 -1.61 0.28 0.00 0.00 177.26 175.93 1wfj s GLU 60 N -5.63 2.84 -0.07 3.52 0.41 -0.84 -4.89 118.70 114.04 1wfj s GLU 60 Ca 0.24 -0.39 -0.01 0.00 -0.41 0.00 0.00 54.97 54.41 1wfj s GLU 60 Cb -0.13 -2.43 0.03 0.00 -1.78 0.00 0.00 34.13 29.82 1wfj s GLU 60 CO 0.30 -0.57 -0.01 0.99 -0.49 0.00 0.00 175.26 175.47 1wfj s THR 61 N -2.79 0.44 0.08 3.63 2.01 -1.26 -1.01 115.64 116.74 1wfj s THR 61 Ca 0.53 0.05 0.08 0.00 0.31 0.00 0.00 61.69 62.66 1wfj s THR 61 Cb -0.10 -0.56 -0.04 0.00 0.01 0.00 0.00 72.50 71.81 1wfj s THR 61 CO 0.41 0.26 -0.18 -0.36 -0.69 0.00 0.00 174.62 174.05 1wfj s PHE 62 N 1.72 2.54 0.01 4.92 0.08 0.15 -4.93 117.98 122.46 1wfj s PHE 62 Ca 0.01 -0.27 0.07 0.00 0.12 0.00 0.00 56.93 56.87 1wfj s PHE 62 Cb -0.13 -1.40 -0.03 0.00 -0.57 0.00 0.00 43.02 40.89 1wfj s PHE 62 CO -0.04 0.31 -0.23 0.42 -0.10 0.00 0.00 175.22 175.58 1wfj s ILE 63 N -1.02 2.39 0.10 0.64 -1.09 -1.26 0.41 121.20 121.36 1wfj s ILE 63 Ca 0.16 -1.15 0.01 0.00 -2.23 0.00 0.00 60.65 57.44 1wfj s ILE 63 Cb -0.10 -1.92 -0.00 0.00 -1.58 0.00 0.00 42.46 38.86 1wfj s ILE 63 CO 0.07 0.47 0.04 0.49 -1.23 0.00 0.00 174.94 174.78 1wfj n PHE 64 N 2.04 -0.01 -4.19 3.97 3.72 -0.59 -4.97 117.46 117.43 1wfj n PHE 64 Ca -0.16 -0.64 -0.26 0.00 -0.05 0.00 0.00 57.45 56.33 1wfj n PHE 64 Cb 0.52 0.01 -0.17 0.00 -0.94 0.00 0.00 39.48 38.90 1wfj n PHE 64 CO 0.00 0.00 0.00 0.99 -0.05 0.00 0.00 176.76 177.70 1wfj s THR 65 N -1.98 1.14 0.05 4.37 2.01 -1.26 -3.11 115.64 116.85 1wfj s THR 65 Ca 0.06 -0.41 0.02 0.00 0.31 0.00 0.00 61.69 61.67 1wfj s THR 65 Cb 0.00 -1.10 -0.04 0.00 0.01 0.00 0.00 72.50 71.37 1wfj s THR 65 CO 0.04 0.38 0.04 -0.69 -0.69 0.00 0.00 174.62 173.70 1wfj s VAL 66 N 1.27 4.36 0.00 3.82 1.01 -0.98 -4.97 120.40 124.90 1wfj s VAL 66 Ca -0.03 -0.71 0.00 0.00 0.00 0.00 0.00 61.98 61.24 1wfj s VAL 66 Cb -0.14 -3.04 0.00 0.00 0.00 0.00 0.00 36.38 33.21 1wfj s VAL 66 CO -0.04 0.23 0.00 -1.54 0.00 0.00 0.00 175.10 173.75 1wfj n SER 67 N 0.85 0.00 -3.79 3.32 3.41 -1.26 -3.61 113.62 112.54 1wfj n SER 67 Ca -0.11 0.00 -0.13 0.00 -0.26 0.00 0.00 58.87 58.37 1wfj n SER 67 Cb 0.52 0.31 -0.12 0.00 -0.26 0.00 0.00 64.21 64.66 1wfj n SER 67 CO 0.00 0.00 0.00 -1.83 -0.16 0.00 0.00 175.04 173.05 1wfj s GLU 68 N -0.71 0.23 0.00 4.33 -1.05 -1.26 -4.65 118.70 115.59 1wfj s GLU 68 Ca 0.00 0.32 0.00 0.00 -0.15 0.00 0.00 54.97 55.14 1wfj s GLU 68 Cb 0.00 0.08 0.00 0.00 -0.44 0.00 0.00 34.13 33.77 1wfj s GLU 68 CO 0.00 -0.05 0.00 0.41 0.95 0.00 0.00 175.26 176.57 1wfj n GLY 69 N 3.17 1.93 3.55 -3.83 0.00 -1.26 -4.92 105.19 103.82 1wfj n GLY 69 Ca -0.15 -0.23 -0.36 0.00 0.00 0.00 0.00 46.02 45.28 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 3.03 0.00 2.61 2.01 -1.26 -4.61 115.64 117.42 1wfj s THR 70 Ca 0.00 0.02 0.00 0.00 0.31 0.00 0.00 61.69 62.02 1wfj s THR 70 Cb 0.00 -3.08 0.00 0.00 0.01 0.00 0.00 72.50 69.43 1wfj s THR 70 CO 0.00 -0.07 0.55 0.35 -0.69 0.00 0.00 174.62 174.76 1wfj n THR 71 N 7.94 0.29 -3.58 -0.82 -2.24 -1.26 -4.66 114.28 109.95 1wfj n THR 71 Ca 0.36 -0.35 -0.15 0.00 -2.27 0.00 0.00 64.05 61.64 1wfj n THR 71 Cb 0.55 1.03 -0.06 0.00 -2.10 0.00 0.00 70.33 69.75 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 -0.29 1.01 -0.01 -0.78 -1.05 -1.26 0.34 118.70 116.65 1wfj s GLU 72 Ca 0.00 -0.11 0.04 0.00 -0.15 0.00 0.00 54.97 54.75 1wfj s GLU 72 Cb 0.00 0.46 -0.03 0.00 -0.44 0.00 0.00 34.13 34.12 1wfj s GLU 72 CO 0.00 -0.35 -0.10 -1.17 0.95 0.00 0.00 175.26 174.60 1wfj s LEU 73 N -1.72 3.01 -0.18 1.83 2.96 0.85 -4.84 118.68 120.59 1wfj s LEU 73 Ca -0.08 -0.18 -0.07 0.00 -0.22 0.00 0.00 54.13 53.59 1wfj s LEU 73 Cb -0.01 -1.71 -0.04 0.00 0.50 0.00 0.00 46.19 44.93 1wfj s LEU 73 CO 0.02 0.30 0.04 -0.54 -1.32 0.00 0.00 176.35 174.85 1wfj s LYS 74 N -1.22 3.90 -0.27 1.98 3.01 -1.09 -0.60 119.74 125.44 1wfj s LYS 74 Ca 0.15 -0.39 0.01 0.00 -1.01 0.00 0.00 55.97 54.74 1wfj s LYS 74 Cb -0.11 -3.16 0.08 0.00 -1.01 0.00 0.00 37.83 33.63 1wfj s LYS 74 CO 0.05 0.25 -0.01 0.00 0.51 0.00 0.00 175.35 176.15 1wfj s ALA 75 N 0.42 2.07 -0.20 5.17 0.00 -0.93 -0.95 121.76 127.33 1wfj s ALA 75 Ca 0.02 -1.65 -0.04 0.00 0.00 0.00 0.00 51.96 50.28 1wfj s ALA 75 Cb -0.13 -1.57 -0.02 0.00 0.00 0.00 0.00 23.12 21.40 1wfj s ALA 75 CO 0.01 -1.38 -0.02 0.15 0.00 0.00 0.00 175.76 174.52 1wfj s LYS 76 N 1.33 3.52 0.14 0.00 1.02 -1.12 -0.89 119.74 123.73 1wfj s LYS 76 Ca 0.00 -0.57 -0.24 0.00 0.02 0.00 0.00 55.97 55.18 1wfj s LYS 76 Cb -0.19 -3.03 -0.07 0.00 -0.52 0.00 0.00 37.83 34.02 1wfj s LYS 76 CO -0.10 -0.06 0.74 0.42 -0.92 0.00 0.00 175.35 175.43 1wfj s ILE 77 N 1.15 4.47 -0.03 2.17 1.09 0.18 -2.34 121.20 127.89 1wfj s ILE 77 Ca 0.02 1.61 -0.05 0.00 -1.10 0.00 0.00 60.65 61.13 1wfj s ILE 77 Cb -0.15 -4.09 0.01 0.00 -1.06 0.00 0.00 42.46 37.17 1wfj s ILE 77 CO 0.00 0.51 0.12 -0.36 -0.10 0.00 0.00 174.94 175.12 1wfj s PHE 78 N -1.03 -0.05 0.18 3.97 0.08 -0.39 -0.18 117.98 120.57 1wfj s PHE 78 Ca 0.35 0.12 -0.30 0.00 0.12 0.00 0.00 56.93 57.22 1wfj s PHE 78 Cb -0.22 -0.00 -0.08 0.00 -0.57 0.00 0.00 43.02 42.15 1wfj s PHE 78 CO 0.25 -0.15 1.08 -0.51 -0.10 0.00 0.00 175.22 175.78 1wfj s ASP 79 N -0.53 7.31 0.47 1.36 1.11 -1.26 0.99 116.67 126.12 1wfj s ASP 79 Ca -0.06 2.06 0.35 0.00 0.18 0.00 0.00 52.55 55.08 1wfj s ASP 79 Cb -0.04 -2.60 1.51 0.00 1.07 0.00 0.00 42.92 42.86 1wfj s ASP 79 CO 0.01 -0.17 1.61 0.07 1.18 0.00 0.00 175.17 177.86 1wfj h LYS 80 N 4.99 0.04 -1.79 8.23 2.10 -1.28 1.40 116.57 130.27 1wfj h LYS 80 Ca -0.44 -0.00 -0.43 0.00 -2.00 0.00 0.00 60.65 57.77 1wfj h LYS 80 Cb 1.21 -0.01 -0.16 0.00 -0.90 0.00 0.00 32.23 32.37 1wfj h LYS 80 CO 0.72 0.03 0.40 -3.47 -2.00 0.00 0.00 179.45 175.12 1wfj n ASP 81 N -4.53 6.48 -3.56 7.07 -0.08 -1.26 -4.83 116.55 115.84 1wfj n ASP 81 Ca 0.39 -3.15 -0.16 0.00 -1.51 0.00 0.00 54.79 50.36 1wfj n ASP 81 Cb 1.58 -1.16 -0.06 0.00 2.34 0.00 0.00 41.12 43.82 1wfj n ASP 81 CO 0.00 0.00 0.00 -0.69 0.12 0.00 0.00 177.20 176.63 1wfj s VAL 82 N -2.27 0.02 -0.12 5.18 1.01 0.48 -5.11 120.40 119.58 1wfj s VAL 82 Ca 0.49 -0.14 -0.06 0.00 0.00 0.00 0.00 61.98 62.27 1wfj s VAL 82 Cb 0.33 -0.95 -0.04 0.00 0.00 0.00 0.00 36.38 35.73 1wfj s VAL 82 CO -0.13 -0.08 0.10 -0.83 0.00 0.00 0.00 175.10 174.16 1wfj s GLY 83 N -1.60 2.05 0.45 4.51 0.00 -1.26 -4.74 107.32 106.73 1wfj s GLY 83 Ca -0.08 -0.70 0.39 0.00 0.00 0.00 0.00 44.72 44.33 1wfj s GLY 83 CO 0.03 -0.36 1.33 -1.30 0.00 0.00 0.00 173.10 172.81 1wfj n THR 84 N 2.27 -0.06 -2.85 0.90 -2.24 -1.26 0.73 114.28 111.77 1wfj n THR 84 Ca -0.19 1.34 -0.34 0.00 -2.27 0.00 0.00 64.05 62.59 1wfj n THR 84 Cb 0.54 -2.23 -0.01 0.00 -2.10 0.00 0.00 70.33 66.53 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 -3.84 4.26 0.00 -0.78 1.02 -1.26 -4.66 120.64 115.37 1wfj n GLU 85 Ca 0.37 -4.74 0.00 0.00 -0.02 0.00 0.00 57.16 52.77 1wfj n GLU 85 Cb 1.62 -2.36 0.00 0.00 -0.02 0.00 0.00 31.44 30.68 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 0.04 0.00 -3.44 1.62 -0.08 0.23 -5.13 116.55 109.79 1wfj n ASP 86 Ca 0.37 0.00 0.01 0.00 -1.51 0.00 0.00 54.79 53.67 1wfj n ASP 86 Cb 0.33 0.03 -0.04 0.00 2.34 0.00 0.00 41.12 43.79 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 -2.74 -0.83 -0.34 1.67 2.15 -1.25 -5.03 116.67 110.30 1wfj s ASP 87 Ca 0.00 1.02 -0.20 0.00 0.43 0.00 0.00 52.55 53.80 1wfj s ASP 87 Cb 0.00 1.90 -0.00 0.00 -0.30 0.00 0.00 42.92 44.51 1wfj s ASP 87 CO 0.00 -0.16 0.61 0.00 -0.17 0.00 0.00 175.17 175.45 1wfj s ALA 88 N 2.67 3.48 0.58 3.66 0.00 -1.26 -4.59 121.76 126.30 1wfj s ALA 88 Ca -0.01 -0.84 0.35 0.00 0.00 0.00 0.00 51.96 51.46 1wfj s ALA 88 Cb -0.09 -3.12 1.36 0.00 0.00 0.00 0.00 23.12 21.26 1wfj s ALA 88 CO -0.18 -1.25 1.57 -0.39 0.00 0.00 0.00 175.76 175.51 1wfj h VAL 89 N 5.63 0.14 -1.55 0.00 -1.51 -0.94 -3.43 116.25 114.60 1wfj h VAL 89 Ca -0.27 0.00 0.37 0.00 -1.23 0.00 0.00 66.70 65.57 1wfj h VAL 89 Cb 1.12 0.19 -0.11 0.00 -2.13 0.00 0.00 31.29 30.36 1wfj h VAL 89 CO 0.81 0.00 0.93 -0.83 -1.23 0.00 0.00 177.57 177.25 1wfj s GLY 90 N -3.72 -0.35 0.19 5.19 0.00 -1.22 -4.78 107.32 102.63 1wfj s GLY 90 Ca -0.04 0.54 -0.10 0.00 0.00 0.00 0.00 44.72 45.12 1wfj s GLY 90 CO 0.66 2.49 0.34 -1.83 0.00 0.00 0.00 173.10 174.76 1wfj s GLU 91 N -2.13 1.29 -0.18 2.90 4.04 0.15 0.50 118.70 125.26 1wfj s GLU 91 Ca 0.21 -1.21 -0.18 0.00 0.04 0.00 0.00 54.97 53.83 1wfj s GLU 91 Cb 0.04 0.41 0.05 0.00 0.02 0.00 0.00 34.13 34.64 1wfj s GLU 91 CO -0.04 -0.49 0.50 0.00 -1.84 0.00 0.00 175.26 173.39 1wfj s ALA 92 N -3.99 -1.24 -0.33 -0.84 0.00 -0.07 -0.57 121.76 114.72 1wfj s ALA 92 Ca 0.20 1.38 -0.16 0.00 0.00 0.00 0.00 51.96 53.38 1wfj s ALA 92 Cb 0.02 -0.78 -0.01 0.00 0.00 0.00 0.00 23.12 22.35 1wfj s ALA 92 CO 0.03 -0.24 0.38 0.99 0.00 0.00 0.00 175.76 176.92 1wfj s THR 93 N 0.18 5.15 -0.45 0.00 2.01 -1.26 -2.19 115.64 119.07 1wfj s THR 93 Ca -0.01 0.17 -0.07 0.00 0.31 0.00 0.00 61.69 62.09 1wfj s THR 93 Cb -0.03 -3.82 0.12 0.00 0.01 0.00 0.00 72.50 68.77 1wfj s THR 93 CO 0.01 -0.07 0.30 -0.63 -0.69 0.00 0.00 174.62 173.54 1wfj s ILE 94 N 2.08 3.86 0.19 1.82 1.01 0.23 -4.89 121.20 125.50 1wfj s ILE 94 Ca 0.13 -1.93 -0.30 0.00 0.00 0.00 0.00 60.65 58.56 1wfj s ILE 94 Cb -0.16 -3.58 -0.08 0.00 0.01 0.00 0.00 42.46 38.65 1wfj s ILE 94 CO 0.12 -0.75 1.11 -2.16 0.00 0.00 0.00 174.94 173.26 1wfj s PRO 95 N 1.23 4.59 0.00 2.79 0.04 -1.26 0.29 135.00 142.68 1wfj s PRO 95 Ca 0.07 1.75 0.21 0.00 0.04 0.00 0.00 61.00 63.07 1wfj s PRO 95 Cb -0.25 -3.26 0.54 0.00 0.04 0.00 0.00 34.50 31.57 1wfj s PRO 95 CO -0.02 0.08 1.46 1.28 0.04 0.00 0.00 177.00 179.83 1wfj n LEU 96 N 2.20 3.26 -0.22 -3.56 4.77 0.15 -4.21 117.00 119.38 1wfj n LEU 96 Ca 0.02 -1.53 -0.07 0.00 -0.03 0.00 0.00 56.01 54.40 1wfj n LEU 96 Cb 0.46 -0.33 0.06 0.00 -2.33 0.00 0.00 43.42 41.28 1wfj n LEU 96 CO 0.54 0.76 0.90 -0.08 -1.33 0.00 0.00 177.39 178.19 1wfj h GLU 97 N 3.85 1.07 -0.00 3.23 4.81 -1.89 -0.68 114.58 124.97 1wfj h GLU 97 Ca 0.00 -0.28 -0.16 0.00 -0.13 0.00 0.00 59.36 58.78 1wfj h GLU 97 Cb 0.87 -0.13 -0.02 0.00 0.63 0.00 0.00 28.75 30.10 1wfj h GLU 97 CO 0.00 0.99 -0.76 -1.00 -0.73 0.00 0.00 179.01 177.51 1wfj h PRO 98 N 1.01 0.03 0.00 0.92 0.13 -1.92 -2.35 132.00 129.82 1wfj h PRO 98 Ca 0.20 -0.03 0.00 0.00 -0.87 0.00 0.00 66.00 65.30 1wfj h PRO 98 Cb 0.44 0.01 0.00 0.00 0.13 0.00 0.00 31.00 31.58 1wfj h PRO 98 CO 0.01 0.77 0.00 1.55 -0.23 0.00 0.00 178.00 180.11 1wfj n VAL 99 N -3.66 0.03 -0.07 1.56 3.14 -1.04 -0.27 118.33 118.03 1wfj n VAL 99 Ca -0.01 0.01 -0.09 0.00 -2.96 0.00 0.00 64.34 61.28 1wfj n VAL 99 Cb 0.73 -0.52 -0.15 0.00 -1.06 0.00 0.00 33.84 32.84 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 -1.43 0.40 -0.04 1.45 3.72 -0.29 -2.20 117.46 119.07 1wfj n PHE 100 Ca 0.09 0.15 -0.13 0.00 -0.05 0.00 0.00 57.45 57.51 1wfj n PHE 100 Cb 0.30 -1.08 -0.14 0.00 -0.94 0.00 0.00 39.48 37.63 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 -2.87 1.59 0.03 -4.37 0.24 -0.91 -4.28 118.33 107.76 1wfj n VAL 101 Ca -0.27 -0.75 -0.13 0.00 -2.04 0.00 0.00 64.34 61.15 1wfj n VAL 101 Cb 1.12 -1.12 -0.14 0.00 -1.47 0.00 0.00 33.84 32.23 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 0.13 0.00 7.34 4.39 -0.83 -3.48 114.58 122.15 1wfj h GLU 102 Ca -0.41 -0.23 0.00 0.00 0.34 0.00 0.00 59.36 59.06 1wfj h GLU 102 Cb 2.06 0.09 0.00 0.00 -0.10 0.00 0.00 28.75 30.79 1wfj h GLU 102 CO 0.05 0.90 0.00 0.41 -1.16 0.00 0.00 179.01 179.21 1wfj n GLY 103 N 1.63 1.78 3.65 -3.84 0.00 -0.93 -4.93 105.19 102.54 1wfj n GLY 103 Ca -0.17 0.00 0.00 0.00 0.00 0.00 0.00 46.02 45.86 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 -3.26 -0.19 -0.01 1.61 1.04 -1.25 -2.95 113.70 108.70 1wfj s SER 104 Ca 0.00 0.30 0.06 0.00 0.48 0.00 0.00 55.95 56.79 1wfj s SER 104 Cb 0.00 0.98 -0.01 0.00 0.10 0.00 0.00 66.02 67.09 1wfj s SER 104 CO 0.00 -0.05 -0.19 -0.63 0.98 0.00 0.00 173.24 173.35 1wfj s ILE 105 N 1.00 1.48 0.98 -1.02 -1.09 0.53 -4.90 121.20 118.17 1wfj s ILE 105 Ca -0.07 -0.81 -0.14 0.00 -2.23 0.00 0.00 60.65 57.40 1wfj s ILE 105 Cb -0.03 -1.23 0.18 0.00 -1.58 0.00 0.00 42.46 39.80 1wfj s ILE 105 CO -0.11 0.41 1.17 -2.16 -1.23 0.00 0.00 174.94 173.02 1wfj s PRO 106 N -0.46 0.56 -0.60 2.79 0.04 -1.26 -1.56 135.00 134.51 1wfj s PRO 106 Ca 0.07 0.07 -0.27 0.00 0.04 0.00 0.00 61.00 60.91 1wfj s PRO 106 Cb -0.07 -1.79 0.01 0.00 0.04 0.00 0.00 34.50 32.68 1wfj s PRO 106 CO -0.01 -2.55 1.52 -1.25 0.04 0.00 0.00 177.00 174.75 1wfj s PRO 107 N -5.43 3.10 0.14 0.56 0.04 -1.26 -4.26 135.00 127.88 1wfj s PRO 107 Ca 0.67 0.39 0.09 0.00 0.04 0.00 0.00 61.00 62.19 1wfj s PRO 107 Cb -0.11 -4.21 -0.04 0.00 0.04 0.00 0.00 34.50 30.18 1wfj s PRO 107 CO 0.54 -2.19 -0.13 0.99 0.04 0.00 0.00 177.00 176.24 1wfj s THR 108 N 6.83 3.06 -0.47 1.26 2.01 -1.10 -4.73 115.64 122.51 1wfj s THR 108 Ca 0.54 -1.53 -0.27 0.00 0.31 0.00 0.00 61.69 60.74 1wfj s THR 108 Cb -0.11 -2.46 0.03 0.00 0.01 0.00 0.00 72.50 69.97 1wfj s THR 108 CO 0.22 0.02 1.04 0.00 -0.69 0.00 0.00 174.62 175.21 1wfj s ALA 109 N -1.38 3.20 0.05 7.40 0.00 -1.25 -1.73 121.76 128.04 1wfj s ALA 109 Ca 0.21 -0.61 -0.22 0.00 0.00 0.00 0.00 51.96 51.34 1wfj s ALA 109 Cb -0.10 -3.78 -0.06 0.00 0.00 0.00 0.00 23.12 19.18 1wfj s ALA 109 CO 0.13 -2.15 0.66 0.71 0.00 0.00 0.00 175.76 175.10 1wfj s TYR 110 N 4.13 3.76 -0.25 0.00 2.02 0.47 -4.62 117.35 122.86 1wfj s TYR 110 Ca 0.43 1.35 -0.39 0.00 -0.37 0.00 0.00 57.07 58.09 1wfj s TYR 110 Cb -0.08 -2.66 -0.15 0.00 -0.40 0.00 0.00 41.96 38.66 1wfj s TYR 110 CO 0.29 0.41 1.76 0.09 -1.57 0.00 0.00 175.55 176.53 1wfj n ASN 111 N 2.36 2.55 -4.32 2.29 4.13 -1.26 -0.21 115.26 120.81 1wfj n ASN 111 Ca -0.06 1.06 -0.39 0.00 1.68 0.00 0.00 54.58 56.87 1wfj n ASN 111 Cb 0.50 -1.18 -0.12 0.00 -1.54 0.00 0.00 39.78 37.45 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 3.60 4.09 0.41 2.41 1.01 0.18 -4.29 120.40 127.81 1wfj s VAL 112 Ca 0.97 -1.00 0.07 0.00 0.00 0.00 0.00 61.98 62.02 1wfj s VAL 112 Cb -1.01 -3.29 -0.05 0.00 0.00 0.00 0.00 36.38 32.03 1wfj s VAL 112 CO 0.63 -0.18 0.20 0.68 0.00 0.00 0.00 175.10 176.43 1wfj s VAL 113 N 1.46 2.38 -0.37 2.92 -7.23 0.27 0.18 120.40 120.02 1wfj s VAL 113 Ca -0.00 -1.66 0.02 0.00 -1.81 0.00 0.00 61.98 58.53 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 0.04 -0.01 0.29 -0.75 -0.31 0.00 0.00 175.10 174.37 1wfj s LYS 114 N -3.93 0.62 0.00 4.82 2.47 0.41 0.29 119.74 124.43 1wfj s LYS 114 Ca 0.42 -1.20 0.00 0.00 -1.56 0.00 0.00 55.97 53.63 1wfj s LYS 114 Cb 0.03 -1.05 0.00 0.00 -1.46 0.00 0.00 37.83 35.34 1wfj s LYS 114 CO 0.23 -1.22 0.00 -3.47 0.16 0.00 0.00 175.35 171.05 1wfj n ASP 115 N 4.01 0.00 0.00 1.43 -0.08 -1.26 -3.22 116.55 117.43 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 -1.52 0.00 -3.21 -0.67 0.28 -1.26 -5.14 120.64 109.12 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 4.29 -0.37 3.44 2.02 -1.20 -4.99 118.70 121.89 1wfj s GLU 117 Ca 0.00 0.80 -0.29 0.00 0.02 0.00 0.00 54.97 55.50 1wfj s GLU 117 Cb 0.00 -3.28 0.01 0.00 0.10 0.00 0.00 34.13 30.97 1wfj s GLU 117 CO 0.00 0.54 1.25 -0.47 0.02 0.00 0.00 175.26 176.60 1wfj s TYR 118 N -0.81 2.73 0.06 1.61 5.04 -1.26 0.16 117.35 124.87 1wfj s TYR 118 Ca 0.31 0.85 0.08 0.00 -2.44 0.00 0.00 57.07 55.86 1wfj s TYR 118 Cb -0.20 -4.08 -0.22 0.00 0.35 0.00 0.00 41.96 37.81 1wfj s TYR 118 CO 0.19 -1.52 1.04 0.87 -1.34 0.00 0.00 175.55 174.80 1wfj h LYS 119 N 9.39 0.03 0.00 4.97 1.79 0.17 -3.48 116.57 129.43 1wfj h LYS 119 Ca -0.25 -0.05 0.00 0.00 -2.18 0.00 0.00 60.65 58.17 1wfj h LYS 119 Cb 1.08 0.02 0.00 0.00 -1.58 0.00 0.00 32.23 31.75 1wfj h LYS 119 CO 1.07 0.86 0.00 0.41 -1.08 0.00 0.00 179.45 180.70 1wfj n GLY 120 N 1.45 -0.52 2.99 3.86 0.00 -0.43 -3.84 105.19 108.69 1wfj n GLY 120 Ca -0.07 -0.33 -0.10 0.00 0.00 0.00 0.00 46.02 45.51 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 -1.44 0.33 -0.16 1.61 -1.05 -0.30 0.50 118.70 118.20 1wfj s GLU 121 Ca 0.00 -0.56 0.01 0.00 -0.15 0.00 0.00 54.97 54.27 1wfj s GLU 121 Cb 0.00 -0.01 0.01 0.00 -0.44 0.00 0.00 34.13 33.69 1wfj s GLU 121 CO 0.00 -0.02 -0.19 -1.50 0.95 0.00 0.00 175.26 174.50 1wfj s ILE 122 N -1.24 2.26 -0.19 1.83 2.07 0.71 -1.40 121.20 125.25 1wfj s ILE 122 Ca -0.12 -0.90 -0.23 0.00 -1.41 0.00 0.00 60.65 57.98 1wfj s ILE 122 Cb -0.09 -1.93 -0.02 0.00 0.13 0.00 0.00 42.46 40.55 1wfj s ILE 122 CO -0.01 0.53 0.75 0.26 -1.91 0.00 0.00 174.94 174.57 1wfj s TRP 123 N 0.96 3.39 -0.19 3.50 0.52 0.33 0.18 118.94 127.63 1wfj s TRP 123 Ca -0.03 1.12 -0.13 0.00 0.02 0.00 0.00 56.10 57.07 1wfj s TRP 123 Cb -0.15 -2.93 0.06 0.00 -1.15 0.00 0.00 33.47 29.30 1wfj s TRP 123 CO -0.04 -0.22 0.47 0.08 0.02 0.00 0.00 176.95 177.26 1wfj s VAL 124 N 2.10 -0.01 -0.05 4.03 1.01 -0.71 -2.41 120.40 124.36 1wfj s VAL 124 Ca 0.34 0.04 -0.03 0.00 0.00 0.00 0.00 61.98 62.33 1wfj s VAL 124 Cb -0.16 -0.68 -0.04 0.00 0.00 0.00 0.00 36.38 35.50 1wfj s VAL 124 CO 0.11 0.02 0.13 0.00 0.00 0.00 0.00 175.10 175.36 1wfj s ALA 125 N 0.89 3.78 -0.06 5.51 0.00 0.01 -2.70 121.76 129.19 1wfj s ALA 125 Ca -0.05 -0.75 0.06 0.00 0.00 0.00 0.00 51.96 51.22 1wfj s ALA 125 Cb -0.06 -1.80 -0.01 0.00 0.00 0.00 0.00 23.12 21.25 1wfj s ALA 125 CO -0.07 0.68 -0.25 -0.51 0.00 0.00 0.00 175.76 175.61 1wfj s LEU 126 N -1.50 2.06 -0.25 0.00 1.43 -0.60 0.77 118.68 120.59 1wfj s LEU 126 Ca 0.21 -0.50 -0.04 0.00 -1.03 0.00 0.00 54.13 52.76 1wfj s LEU 126 Cb -0.12 -1.36 0.09 0.00 0.03 0.00 0.00 46.19 44.83 1wfj s LEU 126 CO 0.11 0.25 0.13 -0.44 0.23 0.00 0.00 176.35 176.63 1wfj s SER 127 N -0.18 2.96 0.38 2.29 0.01 0.62 0.20 113.70 119.97 1wfj s SER 127 Ca -0.03 -1.00 -0.11 0.00 1.31 0.00 0.00 55.95 56.12 1wfj s SER 127 Cb -0.13 -0.23 -0.07 0.00 0.21 0.00 0.00 66.02 65.80 1wfj s SER 127 CO 0.03 -0.40 0.75 0.12 0.41 0.00 0.00 173.24 174.15 1wfj s PHE 128 N 2.14 3.44 -0.36 2.43 5.36 -1.15 0.36 117.98 130.20 1wfj s PHE 128 Ca 0.07 1.07 0.00 0.00 -0.96 0.00 0.00 56.93 57.11 1wfj s PHE 128 Cb -0.16 -2.45 0.14 0.00 -0.34 0.00 0.00 43.02 40.21 1wfj s PHE 128 CO -0.27 -0.04 0.21 0.15 -1.46 0.00 0.00 175.22 173.81 1wfj s LYS 129 N -3.59 0.62 0.51 10.12 1.02 0.34 -4.67 119.74 124.08 1wfj s LYS 129 Ca 0.52 -1.37 -0.19 0.00 0.02 0.00 0.00 55.97 54.94 1wfj s LYS 129 Cb -0.10 -1.42 -0.07 0.00 -0.52 0.00 0.00 37.83 35.71 1wfj s LYS 129 CO 0.27 -1.20 1.04 -1.25 -0.92 0.00 0.00 175.35 173.30 1wfj s PRO 130 N 1.03 3.71 -1.17 -1.68 0.04 -1.26 -0.42 135.00 135.25 1wfj s PRO 130 Ca 0.18 1.31 -0.17 0.00 0.04 0.00 0.00 61.00 62.35 1wfj s PRO 130 Cb -0.23 -2.08 0.11 0.00 0.04 0.00 0.00 34.50 32.34 1wfj s PRO 130 CO -0.00 -0.50 1.49 0.45 0.04 0.00 0.00 177.00 178.48 1wfj s SER 131 N -2.19 6.84 0.00 6.66 0.15 -1.18 -4.83 113.70 119.15 1wfj s SER 131 Ca 0.66 -2.42 0.00 0.00 0.70 0.00 0.00 55.95 54.89 1wfj s SER 131 Cb -0.16 -2.49 0.00 0.00 -1.71 0.00 0.00 66.02 61.66 1wfj s SER 131 CO 0.24 -1.06 0.00 0.61 1.20 0.00 0.00 173.24 174.23 1wfj n GLY 132 N 5.19 4.20 3.44 9.45 0.00 -1.26 -5.05 105.19 121.15 1wfj n GLY 132 Ca 0.38 -0.69 -0.37 0.00 0.00 0.00 0.00 46.02 45.34 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 2.36 -3.54 1.61 -0.04 -1.26 -4.65 135.00 129.47 1wfj n PRO 133 Ca 0.00 -2.74 -0.01 0.00 -0.04 0.00 0.00 63.50 60.71 1wfj n PRO 133 Cb 0.00 -3.50 -0.05 0.00 -0.04 0.00 0.00 33.50 29.91 1wfj n PRO 133 CO 0.00 0.00 0.00 0.45 -0.04 0.00 0.00 175.50 175.91 1wfj s SER 134 N 5.07 -0.77 0.00 3.54 0.15 -1.26 -4.99 113.70 115.44 1wfj s SER 134 Ca 0.59 1.10 0.00 0.00 0.70 0.00 0.00 55.95 58.34 1wfj s SER 134 Cb 0.04 1.74 0.00 0.00 -1.71 0.00 0.00 66.02 66.09 1wfj s SER 134 CO 0.09 -0.16 0.00 -0.24 1.20 0.00 0.00 173.24 174.13 1wfj n SER 135 N 4.82 0.00 0.00 5.45 2.88 -1.26 -5.03 113.62 120.48 1wfj n SER 135 Ca -0.13 0.00 0.00 0.00 -1.33 0.00 0.00 58.87 57.41 1wfj n SER 135 Cb 0.53 0.00 0.00 0.00 -0.75 0.00 0.00 64.21 63.99 1wfj n SER 135 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42