#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 -0.58 0.18 1.61 0.01 -1.26 -5.09 113.70 108.58 1wfj s SER 2 Ca 0.00 1.15 0.00 0.00 1.31 0.00 0.00 55.95 58.41 1wfj s SER 2 Cb 0.00 1.38 0.00 0.00 0.21 0.00 0.00 66.02 67.61 1wfj s SER 2 CO 0.00 -0.22 0.00 -0.24 0.41 0.00 0.00 173.24 173.19 1wfj n SER 3 N 4.97 -7.00 0.00 2.44 2.88 -1.26 -5.10 113.62 110.55 1wfj n SER 3 Ca -0.15 0.96 0.00 0.00 -1.33 0.00 0.00 58.87 58.36 1wfj n SER 3 Cb 0.52 -3.68 0.00 0.00 -0.75 0.00 0.00 64.21 60.30 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 1.00 1.74 2.97 0.46 0.00 -1.26 -5.14 105.19 104.96 1wfj n GLY 4 Ca 0.00 -0.28 0.03 0.00 0.00 0.00 0.00 46.02 45.78 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 -0.56 -0.25 1.61 0.15 -1.26 -5.16 113.70 108.22 1wfj s SER 5 Ca 0.00 -0.14 -0.30 0.00 0.70 0.00 0.00 55.95 56.20 1wfj s SER 5 Cb 0.00 0.96 0.17 0.00 -1.71 0.00 0.00 66.02 65.45 1wfj s SER 5 CO 0.00 -0.08 1.27 -0.55 1.20 0.00 0.00 173.24 175.08 1wfj s SER 6 N 2.33 -0.11 0.00 5.45 0.15 -1.26 -5.19 113.70 115.07 1wfj s SER 6 Ca 0.19 0.11 0.00 0.00 0.70 0.00 0.00 55.95 56.95 1wfj s SER 6 Cb -0.00 0.10 0.00 0.00 -1.71 0.00 0.00 66.02 64.41 1wfj s SER 6 CO -0.17 -0.11 0.00 0.61 1.20 0.00 0.00 173.24 174.76 1wfj n GLY 7 N 0.50 -1.70 0.00 9.45 0.00 -1.26 -4.99 105.19 107.20 1wfj n GLY 7 Ca -0.02 -1.10 0.00 0.00 0.00 0.00 0.00 46.02 44.90 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 -0.28 0.47 -3.52 1.61 -0.04 -1.26 -4.96 135.00 127.02 1wfj n PRO 8 Ca 0.00 0.00 0.02 0.00 -0.04 0.00 0.00 63.50 63.48 1wfj n PRO 8 Cb 0.00 0.00 -0.06 0.00 -0.04 0.00 0.00 33.50 33.40 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 -0.35 -0.19 0.00 0.54 -3.43 -1.26 -4.32 115.29 106.27 1wfj s HIS 9 Ca 0.00 0.36 0.00 0.00 -0.80 0.00 0.00 55.06 54.62 1wfj s HIS 9 Cb 0.00 0.11 0.00 0.00 -1.43 0.00 0.00 32.58 31.26 1wfj s HIS 9 CO 0.00 -0.09 0.00 0.41 -2.00 0.00 0.00 174.74 173.06 1wfj n GLY 10 N 3.65 -0.65 3.09 -1.38 0.00 -0.67 -3.56 105.19 105.68 1wfj n GLY 10 Ca -0.14 0.34 -0.08 0.00 0.00 0.00 0.00 46.02 46.14 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 0.00 0.19 0.04 2.61 2.01 0.93 -2.93 115.64 118.49 1wfj s THR 11 Ca 0.00 -1.57 0.07 0.00 0.31 0.00 0.00 61.69 60.51 1wfj s THR 11 Cb 0.00 -1.28 -0.03 0.00 0.01 0.00 0.00 72.50 71.20 1wfj s THR 11 CO 0.00 -0.86 -0.21 -0.22 -0.69 0.00 0.00 174.62 172.64 1wfj s LEU 12 N -2.65 2.17 -0.18 4.42 2.96 0.01 0.47 118.68 125.88 1wfj s LEU 12 Ca 0.03 -0.52 0.01 0.00 -0.22 0.00 0.00 54.13 53.42 1wfj s LEU 12 Cb 0.05 -0.99 0.02 0.00 0.50 0.00 0.00 46.19 45.77 1wfj s LEU 12 CO -0.08 0.16 -0.18 -0.70 -1.32 0.00 0.00 176.35 174.23 1wfj s GLU 13 N -1.17 2.75 -0.29 1.98 2.12 -0.32 -1.19 118.70 122.59 1wfj s GLU 13 Ca 0.08 -0.81 -0.05 0.00 0.36 0.00 0.00 54.97 54.55 1wfj s GLU 13 Cb -0.09 -2.49 0.02 0.00 0.26 0.00 0.00 34.13 31.83 1wfj s GLU 13 CO 0.02 -0.25 0.04 0.08 -0.54 0.00 0.00 175.26 174.60 1wfj s VAL 14 N 1.32 3.58 -0.59 3.70 1.01 0.13 -0.79 120.40 128.76 1wfj s VAL 14 Ca 0.04 -0.87 -0.10 0.00 0.00 0.00 0.00 61.98 61.05 1wfj s VAL 14 Cb -0.14 -2.87 0.15 0.00 0.00 0.00 0.00 36.38 33.53 1wfj s VAL 14 CO -0.12 0.08 0.47 -0.69 0.00 0.00 0.00 175.10 174.84 1wfj s VAL 15 N 1.43 4.52 -0.93 2.92 1.01 0.48 0.66 120.40 130.49 1wfj s VAL 15 Ca 0.01 -2.15 -0.24 0.00 0.00 0.00 0.00 61.98 59.60 1wfj s VAL 15 Cb -0.17 -3.91 -0.01 0.00 0.00 0.00 0.00 36.38 32.28 1wfj s VAL 15 CO 0.00 -0.86 1.77 -0.22 0.00 0.00 0.00 175.10 175.79 1wfj s LEU 16 N 0.83 3.28 0.00 3.92 2.96 -1.04 -0.89 118.68 127.75 1wfj s LEU 16 Ca 0.10 -0.88 0.00 0.00 -0.22 0.00 0.00 54.13 53.13 1wfj s LEU 16 Cb -0.22 -2.56 0.00 0.00 0.50 0.00 0.00 46.19 43.91 1wfj s LEU 16 CO -0.03 -2.32 0.12 0.52 -1.32 0.00 0.00 176.35 173.32 1wfj n VAL 17 N 7.51 0.00 -3.47 1.68 0.31 -1.06 0.61 118.33 123.90 1wfj n VAL 17 Ca 0.36 0.47 0.00 0.00 -0.01 0.00 0.00 64.34 65.16 1wfj n VAL 17 Cb 0.48 -1.16 0.00 0.00 -0.91 0.00 0.00 33.84 32.25 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 -0.17 0.00 -3.68 4.52 3.41 -1.12 -0.39 113.62 116.19 1wfj n SER 18 Ca 0.00 -1.00 -0.12 0.00 -0.26 0.00 0.00 58.87 57.49 1wfj n SER 18 Cb 0.00 0.00 -0.09 0.00 -0.26 0.00 0.00 64.21 63.86 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 -1.47 -1.40 0.12 7.33 0.00 -1.09 0.93 121.76 126.18 1wfj s ALA 19 Ca 0.00 1.70 0.10 0.00 0.00 0.00 0.00 51.96 53.75 1wfj s ALA 19 Cb 0.00 -0.99 -0.04 0.00 0.00 0.00 0.00 23.12 22.09 1wfj s ALA 19 CO 0.00 -0.28 -0.24 0.15 0.00 0.00 0.00 175.76 175.39 1wfj s LYS 20 N 0.67 1.28 0.25 0.00 1.02 -0.63 -3.52 119.74 118.81 1wfj s LYS 20 Ca -0.03 -1.27 0.03 0.00 0.02 0.00 0.00 55.97 54.72 1wfj s LYS 20 Cb -0.05 -1.65 0.04 0.00 -0.52 0.00 0.00 37.83 35.66 1wfj s LYS 20 CO -0.04 0.39 0.35 0.41 -0.92 0.00 0.00 175.35 175.53 1wfj n GLY 21 N 0.95 1.63 0.28 -3.33 0.00 -1.23 -1.44 105.19 102.04 1wfj n GLY 21 Ca -0.18 -2.12 -0.03 0.00 0.00 0.00 0.00 46.02 43.69 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 0.05 0.99 7.99 -1.25 -4.80 117.00 119.99 1wfj n LEU 22 Ca 0.07 -0.09 -0.17 0.00 -0.01 0.00 0.00 56.01 55.81 1wfj n LEU 22 Cb 0.24 -0.08 -0.14 0.00 -0.11 0.00 0.00 43.42 43.33 1wfj n LEU 22 CO 0.16 -1.31 -0.41 -0.33 -1.51 0.00 0.00 177.39 173.99 1wfj h GLU 23 N 0.00 0.25 -2.07 3.23 5.08 -1.99 -3.39 114.58 115.69 1wfj h GLU 23 Ca -0.03 -0.43 -0.52 0.00 -1.00 0.00 0.00 59.36 57.38 1wfj h GLU 23 Cb 0.11 0.16 -0.40 0.00 0.50 0.00 0.00 28.75 29.11 1wfj h GLU 23 CO 0.02 1.10 -1.05 -3.47 -1.00 0.00 0.00 179.01 174.62 1wfj n ASP 24 N -3.44 1.68 -3.69 1.42 2.03 -1.26 -5.05 116.55 108.23 1wfj n ASP 24 Ca -0.19 -3.14 -0.13 0.00 0.52 0.00 0.00 54.79 51.85 1wfj n ASP 24 Cb 1.05 -0.61 -0.13 0.00 -0.72 0.00 0.00 41.12 40.71 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 -2.54 -0.62 -0.53 -1.67 0.00 -1.26 -5.10 121.76 110.03 1wfj s ALA 25 Ca 0.42 1.03 -0.28 0.00 0.00 0.00 0.00 51.96 53.13 1wfj s ALA 25 Cb 0.31 -0.87 0.00 0.00 0.00 0.00 0.00 23.12 22.56 1wfj s ALA 25 CO -0.09 -0.44 1.54 0.34 0.00 0.00 0.00 175.76 177.11 1wfj s ASP 26 N 1.89 5.96 -0.19 0.00 -1.08 -1.26 -4.42 116.67 117.56 1wfj s ASP 26 Ca -0.04 0.46 -0.04 0.00 -0.52 0.00 0.00 52.55 52.41 1wfj s ASP 26 Cb -0.11 -2.54 0.08 0.00 -1.46 0.00 0.00 42.92 38.89 1wfj s ASP 26 CO -0.09 -1.81 0.18 0.12 0.52 0.00 0.00 175.17 174.09 1wfj s PHE 27 N 6.67 -0.14 -0.57 -5.34 5.36 -1.26 -4.88 117.98 117.82 1wfj s PHE 27 Ca 0.59 0.07 -0.01 0.00 -0.96 0.00 0.00 56.93 56.62 1wfj s PHE 27 Cb -0.13 -0.46 -0.01 0.00 -0.34 0.00 0.00 43.02 42.09 1wfj s PHE 27 CO 0.26 -0.57 0.48 1.28 -1.46 0.00 0.00 175.22 175.20 1wfj n LEU 28 N 5.31 -3.18 -3.93 6.12 4.77 -1.26 -4.49 117.00 120.34 1wfj n LEU 28 Ca -0.06 -0.31 -0.24 0.00 -0.03 0.00 0.00 56.01 55.37 1wfj n LEU 28 Cb 0.49 -1.79 -0.17 0.00 -2.33 0.00 0.00 43.42 39.63 1wfj n LEU 28 CO 0.09 0.15 -0.44 0.21 -1.33 0.00 0.00 177.39 176.07 1wfj s ASN 29 N -3.55 1.65 -0.78 -1.43 3.84 -1.26 -1.79 114.94 111.62 1wfj s ASN 29 Ca 0.05 -0.23 -0.03 0.00 0.21 0.00 0.00 52.86 52.86 1wfj s ASN 29 Cb -0.01 -0.69 0.00 0.00 -0.55 0.00 0.00 41.25 40.00 1wfj s ASN 29 CO 0.36 -0.05 0.36 -3.20 -2.79 0.00 0.00 177.10 171.77 1wfj n ASN 30 N 4.32 -3.96 -2.91 -4.21 5.15 -1.26 -5.00 115.26 107.40 1wfj n ASN 30 Ca -0.19 -0.17 -0.12 0.00 -0.60 0.00 0.00 54.58 53.50 1wfj n ASN 30 Cb 0.51 -2.80 -0.00 0.00 -0.53 0.00 0.00 39.78 36.96 1wfj n ASN 30 CO 0.00 0.00 0.00 1.15 1.40 0.00 0.00 177.26 179.81 1wfj n MET 31 N -2.49 0.92 -3.42 1.20 0.00 -1.26 -5.10 117.12 106.97 1wfj n MET 31 Ca -0.05 -2.55 -0.26 0.00 0.00 0.00 0.00 57.70 54.84 1wfj n MET 31 Cb 0.56 2.76 -0.09 0.00 0.00 0.00 0.00 33.22 36.45 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 -1.57 1.97 -4.81 3.17 9.92 -1.26 -4.09 116.55 119.88 1wfj n ASP 32 Ca -0.04 -3.03 -0.32 0.00 -0.53 0.00 0.00 54.79 50.86 1wfj n ASP 32 Cb 0.60 -0.66 0.01 0.00 -0.64 0.00 0.00 41.12 40.43 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 -1.59 3.31 0.01 -0.24 0.04 -1.26 -0.75 135.00 134.52 1wfj s PRO 33 Ca 0.35 1.12 -0.02 0.00 0.04 0.00 0.00 61.00 62.50 1wfj s PRO 33 Cb 0.11 -2.04 -0.01 0.00 0.04 0.00 0.00 34.50 32.61 1wfj s PRO 33 CO -0.09 -0.81 0.01 1.52 0.04 0.00 0.00 177.00 177.67 1wfj s TYR 34 N -2.60 0.15 0.10 0.56 1.13 -0.53 -2.77 117.35 113.41 1wfj s TYR 34 Ca 0.62 -0.32 -0.13 0.00 -1.41 0.00 0.00 57.07 55.83 1wfj s TYR 34 Cb -0.15 -0.12 -0.06 0.00 -1.10 0.00 0.00 41.96 40.53 1wfj s TYR 34 CO 0.40 -0.17 0.48 0.08 -2.51 0.00 0.00 175.55 173.83 1wfj s VAL 35 N -1.11 4.97 -0.34 -3.49 1.01 -1.26 -1.40 120.40 118.77 1wfj s VAL 35 Ca -0.12 0.68 0.00 0.00 0.00 0.00 0.00 61.98 62.54 1wfj s VAL 35 Cb -0.07 -3.70 0.11 0.00 0.00 0.00 0.00 36.38 32.72 1wfj s VAL 35 CO -0.00 0.30 0.13 -1.58 0.00 0.00 0.00 175.10 173.94 1wfj s GLN 36 N -1.84 0.90 0.62 2.72 0.74 -1.10 -1.84 119.66 119.87 1wfj s GLN 36 Ca 0.34 -1.36 -0.18 0.00 0.05 0.00 0.00 55.36 54.21 1wfj s GLN 36 Cb -0.15 -2.15 -0.02 0.00 1.10 0.00 0.00 33.01 31.79 1wfj s GLN 36 CO 0.18 -1.03 1.20 -0.51 -0.55 0.00 0.00 175.29 174.58 1wfj s LEU 37 N 1.25 3.58 -0.15 3.68 2.01 0.58 -3.60 118.68 126.04 1wfj s LEU 37 Ca 0.12 2.35 -0.06 0.00 0.01 0.00 0.00 54.13 56.54 1wfj s LEU 37 Cb -0.19 -4.59 0.06 0.00 0.01 0.00 0.00 46.19 41.48 1wfj s LEU 37 CO -0.17 -1.71 0.33 -0.89 1.01 0.00 0.00 176.35 174.92 1wfj s THR 38 N -1.73 -0.25 -0.38 5.49 2.01 -1.01 0.05 115.64 119.81 1wfj s THR 38 Ca 0.76 0.17 0.02 0.00 0.31 0.00 0.00 61.69 62.96 1wfj s THR 38 Cb -0.29 -0.51 0.16 0.00 0.01 0.00 0.00 72.50 71.86 1wfj s THR 38 CO 0.36 0.07 0.31 0.00 -0.69 0.00 0.00 174.62 174.67 1wfj n ARG 40 N 3.62 -4.51 -3.40 0.00 3.00 -1.26 -3.80 116.66 110.31 1wfj n ARG 40 Ca 0.18 3.21 -0.27 0.00 -0.01 0.00 0.00 57.85 60.97 1wfj n ARG 40 Cb 0.43 -3.79 -0.05 0.00 0.00 0.00 0.00 32.46 29.05 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 1.90 -0.01 -4.14 0.55 -2.24 -1.26 -4.84 114.28 104.25 1wfj n THR 41 Ca 0.00 -0.00 -0.15 0.00 -2.27 0.00 0.00 64.05 61.63 1wfj n THR 41 Cb 0.00 -0.32 -0.13 0.00 -2.10 0.00 0.00 70.33 67.78 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 -4.90 0.52 -0.16 -0.78 -0.21 -1.25 -5.14 119.66 107.74 1wfj s GLN 42 Ca 0.52 -0.50 -0.06 0.00 0.02 0.00 0.00 55.36 55.34 1wfj s GLN 42 Cb -0.30 -0.41 0.07 0.00 1.00 0.00 0.00 33.01 33.38 1wfj s GLN 42 CO 0.64 0.10 0.34 0.16 -2.12 0.00 0.00 175.29 174.40 1wfj s ASP 43 N -0.87 0.01 -0.08 5.90 1.47 -1.25 -3.14 116.67 118.70 1wfj s ASP 43 Ca -0.03 0.78 -0.01 0.00 1.18 0.00 0.00 52.55 54.47 1wfj s ASP 43 Cb -0.06 0.96 0.03 0.00 -0.34 0.00 0.00 42.92 43.51 1wfj s ASP 43 CO 0.00 -0.23 -0.03 -1.10 0.68 0.00 0.00 175.17 174.49 1wfj s GLN 44 N 2.38 0.99 0.18 2.11 1.11 0.11 -4.94 119.66 121.59 1wfj s GLN 44 Ca -0.01 -0.05 0.05 0.00 0.01 0.00 0.00 55.36 55.35 1wfj s GLN 44 Cb -0.12 -1.20 -0.04 0.00 -1.01 0.00 0.00 33.01 30.65 1wfj s GLN 44 CO -0.11 -0.27 0.20 0.15 0.01 0.00 0.00 175.29 175.28 1wfj s LYS 45 N 1.77 3.10 0.51 2.91 1.02 -1.26 0.22 119.74 128.00 1wfj s LYS 45 Ca 0.03 -0.81 0.05 0.00 0.02 0.00 0.00 55.97 55.27 1wfj s LYS 45 Cb -0.13 -2.75 0.01 0.00 -0.52 0.00 0.00 37.83 34.45 1wfj s LYS 45 CO -0.06 0.48 0.32 -1.54 -0.92 0.00 0.00 175.35 173.63 1wfj s SER 46 N -3.31 4.58 0.70 2.83 1.04 -0.76 -4.97 113.70 113.82 1wfj s SER 46 Ca 0.32 -1.22 -0.17 0.00 0.48 0.00 0.00 55.95 55.37 1wfj s SER 46 Cb -0.10 0.19 -0.07 0.00 0.10 0.00 0.00 66.02 66.14 1wfj s SER 46 CO 0.26 -0.94 0.32 0.59 0.98 0.00 0.00 173.24 174.45 1wfj n ASN 47 N -1.60 -1.94 -4.56 7.02 3.02 -1.26 -4.69 115.26 111.24 1wfj n ASN 47 Ca -0.03 0.57 -0.43 0.00 -0.03 0.00 0.00 54.58 54.67 1wfj n ASN 47 Cb 0.64 -1.12 -0.05 0.00 -0.61 0.00 0.00 39.78 38.64 1wfj n ASN 47 CO 0.00 0.00 0.00 -0.69 -2.62 0.00 0.00 177.26 173.95 1wfj s VAL 48 N -1.92 4.60 -0.91 2.41 1.01 -1.26 -4.71 120.40 119.62 1wfj s VAL 48 Ca 0.62 0.66 -0.25 0.00 0.00 0.00 0.00 61.98 63.01 1wfj s VAL 48 Cb -0.36 -4.34 -0.19 0.00 0.00 0.00 0.00 36.38 31.49 1wfj s VAL 48 CO 0.61 -0.69 2.24 0.00 0.00 0.00 0.00 175.10 177.26 1wfj n ALA 49 N 6.81 0.29 -2.58 5.51 0.00 -1.11 -4.86 120.51 124.58 1wfj n ALA 49 Ca 0.04 -1.74 -0.43 0.00 0.00 0.00 0.00 53.44 51.31 1wfj n ALA 49 Cb 0.48 -3.21 -0.02 0.00 0.00 0.00 0.00 19.45 16.70 1wfj n ALA 49 CO 0.00 0.00 0.00 -1.21 0.00 0.00 0.00 177.50 176.29 1wfj s GLU 50 N 8.61 4.26 -0.86 0.00 2.02 -1.26 -4.09 118.70 127.37 1wfj s GLU 50 Ca 0.87 1.47 -0.16 0.00 0.02 0.00 0.00 54.97 57.17 1wfj s GLU 50 Cb -0.11 -3.68 0.02 0.00 0.10 0.00 0.00 34.13 30.46 1wfj s GLU 50 CO 0.14 -0.64 0.54 0.41 0.02 0.00 0.00 175.26 175.72 1wfj n GLY 51 N 3.41 -0.89 0.07 -1.39 0.00 -1.26 -4.86 105.19 100.28 1wfj n GLY 51 Ca 0.13 0.39 -0.08 0.00 0.00 0.00 0.00 46.02 46.46 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 -3.40 1.54 0.00 1.61 1.56 -1.26 -5.13 117.12 112.04 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 0.52 -1.35 0.00 0.00 2.15 0.00 0.00 33.22 34.55 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 2.25 -1.02 0.00 -5.12 0.00 -1.26 -4.44 105.19 95.60 1wfj n GLY 53 Ca -0.24 -2.12 0.12 0.00 0.00 0.00 0.00 46.02 43.78 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 -3.28 2.61 -2.24 -0.74 -3.73 114.28 106.90 1wfj n THR 54 Ca 0.00 0.00 -0.25 0.00 -2.27 0.00 0.00 64.05 61.53 1wfj n THR 54 Cb 0.00 -0.60 -0.07 0.00 -2.10 0.00 0.00 70.33 67.55 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 -0.99 0.80 -2.49 4.28 -2.24 -1.26 -3.56 114.28 108.83 1wfj n THR 55 Ca 0.18 -4.62 -0.41 0.00 -2.27 0.00 0.00 64.05 56.93 1wfj n THR 55 Cb 0.08 -1.95 -0.04 0.00 -2.10 0.00 0.00 70.33 66.32 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 -1.87 4.60 -0.04 -0.78 0.04 -1.23 -4.85 135.00 130.87 1wfj s PRO 56 Ca 0.38 1.75 0.04 0.00 0.04 0.00 0.00 61.00 63.22 1wfj s PRO 56 Cb 0.17 -3.25 -0.02 0.00 0.04 0.00 0.00 34.50 31.44 1wfj s PRO 56 CO -0.07 0.11 -0.17 -1.21 0.04 0.00 0.00 177.00 175.71 1wfj s GLU 57 N -0.68 2.42 0.00 4.56 2.02 -1.26 -2.65 118.70 123.10 1wfj s GLU 57 Ca 0.48 -0.74 0.00 0.00 0.02 0.00 0.00 54.97 54.73 1wfj s GLU 57 Cb -0.30 -2.31 0.00 0.00 0.10 0.00 0.00 34.13 31.61 1wfj s GLU 57 CO 0.37 0.61 0.00 0.91 0.02 0.00 0.00 175.26 177.17 1wfj n TRP 58 N 2.33 0.00 -2.51 1.61 8.01 0.47 -4.87 117.44 122.47 1wfj n TRP 58 Ca -0.17 0.00 -0.11 0.00 -1.31 0.00 0.00 57.50 55.91 1wfj n TRP 58 Cb 0.52 0.01 -0.00 0.00 -2.01 0.00 0.00 31.31 29.83 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 -2.69 -3.45 -4.28 -0.99 3.02 0.20 -4.92 115.26 102.15 1wfj n ASN 59 Ca 0.00 0.20 -0.27 0.00 -0.03 0.00 0.00 54.58 54.48 1wfj n ASN 59 Cb 0.48 -2.95 0.17 0.00 -0.61 0.00 0.00 39.78 36.86 1wfj n ASN 59 CO 0.00 0.00 0.00 -1.61 -2.62 0.00 0.00 177.26 173.03 1wfj s GLU 60 N -5.09 0.90 -0.10 3.52 0.41 -1.00 -4.89 118.70 112.45 1wfj s GLU 60 Ca 0.03 -0.88 -0.04 0.00 -0.41 0.00 0.00 54.97 53.66 1wfj s GLU 60 Cb -0.01 -2.06 0.05 0.00 -1.78 0.00 0.00 34.13 30.32 1wfj s GLU 60 CO 0.03 -2.11 0.21 0.99 -0.49 0.00 0.00 175.26 173.89 1wfj s THR 61 N -3.59 -0.22 0.17 3.63 2.01 -1.26 -2.49 115.64 113.89 1wfj s THR 61 Ca 0.73 0.26 0.11 0.00 0.31 0.00 0.00 61.69 63.09 1wfj s THR 61 Cb -0.03 -0.35 -0.04 0.00 0.01 0.00 0.00 72.50 72.09 1wfj s THR 61 CO 0.50 0.11 -0.24 -0.36 -0.69 0.00 0.00 174.62 173.93 1wfj s PHE 62 N 1.90 2.33 0.00 4.92 0.08 0.21 -4.95 117.98 122.47 1wfj s PHE 62 Ca -0.02 -0.36 0.07 0.00 0.12 0.00 0.00 56.93 56.73 1wfj s PHE 62 Cb -0.12 -1.20 -0.02 0.00 -0.57 0.00 0.00 43.02 41.12 1wfj s PHE 62 CO -0.07 0.43 -0.20 0.42 -0.10 0.00 0.00 175.22 175.70 1wfj s ILE 63 N -1.41 1.62 0.07 0.64 -1.09 -1.26 0.22 121.20 119.99 1wfj s ILE 63 Ca 0.18 -0.97 0.02 0.00 -2.23 0.00 0.00 60.65 57.65 1wfj s ILE 63 Cb -0.09 -1.37 -0.03 0.00 -1.58 0.00 0.00 42.46 39.39 1wfj s ILE 63 CO 0.09 0.37 -0.07 -0.36 -1.23 0.00 0.00 174.94 173.74 1wfj s PHE 64 N -0.58 0.76 -0.43 3.97 0.08 -0.33 -4.96 117.98 116.49 1wfj s PHE 64 Ca 0.08 -0.70 -0.22 0.00 0.12 0.00 0.00 56.93 56.21 1wfj s PHE 64 Cb -0.08 -0.45 0.02 0.00 -0.57 0.00 0.00 43.02 41.94 1wfj s PHE 64 CO 0.00 -0.12 0.70 0.99 -0.10 0.00 0.00 175.22 176.69 1wfj s THR 65 N -2.46 4.76 -0.38 0.64 2.01 -1.26 -0.81 115.64 118.14 1wfj s THR 65 Ca 0.00 0.30 -0.19 0.00 0.31 0.00 0.00 61.69 62.12 1wfj s THR 65 Cb -0.03 -4.24 0.01 0.00 0.01 0.00 0.00 72.50 68.25 1wfj s THR 65 CO -0.02 -0.62 0.53 -0.69 -0.69 0.00 0.00 174.62 173.13 1wfj s VAL 66 N 3.01 4.98 -0.43 3.82 1.01 -1.15 -4.96 120.40 126.67 1wfj s VAL 66 Ca 0.26 0.18 0.06 0.00 0.00 0.00 0.00 61.98 62.47 1wfj s VAL 66 Cb -0.13 -4.03 0.17 0.00 0.00 0.00 0.00 36.38 32.39 1wfj s VAL 66 CO 0.20 -0.34 0.54 -0.55 0.00 0.00 0.00 175.10 174.95 1wfj s SER 67 N 1.83 -0.21 0.54 3.32 0.15 -1.26 -1.67 113.70 116.40 1wfj s SER 67 Ca 0.19 -1.70 0.00 0.00 0.70 0.00 0.00 55.95 55.13 1wfj s SER 67 Cb -0.15 1.13 0.00 0.00 -1.71 0.00 0.00 66.02 65.28 1wfj s SER 67 CO 0.15 -0.16 0.00 1.21 1.20 0.00 0.00 173.24 175.64 1wfj n GLU 68 N 3.64 -3.28 0.00 5.44 2.13 -1.26 -4.59 120.64 122.72 1wfj n GLU 68 Ca 0.16 2.62 0.00 0.00 0.66 0.00 0.00 57.16 60.61 1wfj n GLU 68 Cb 0.52 -3.58 0.00 0.00 0.27 0.00 0.00 31.44 28.64 1wfj n GLU 68 CO 0.00 0.00 0.00 0.41 -0.41 0.00 0.00 177.13 177.13 1wfj n GLY 69 N -3.48 1.14 3.61 8.31 0.00 -1.26 -4.86 105.19 108.65 1wfj n GLY 69 Ca -0.05 -0.01 -0.43 0.00 0.00 0.00 0.00 46.02 45.53 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 3.62 0.00 2.61 2.01 -1.26 -4.74 115.64 117.88 1wfj s THR 70 Ca 0.00 0.65 0.00 0.00 0.31 0.00 0.00 61.69 62.65 1wfj s THR 70 Cb 0.00 -3.76 0.00 0.00 0.01 0.00 0.00 72.50 68.75 1wfj s THR 70 CO 0.00 -0.43 0.73 0.35 -0.69 0.00 0.00 174.62 174.58 1wfj n THR 71 N 7.04 0.00 -3.63 -0.82 -2.24 -1.26 -4.77 114.28 108.60 1wfj n THR 71 Ca 0.20 0.00 -0.05 0.00 -2.27 0.00 0.00 64.05 61.94 1wfj n THR 71 Cb 0.46 0.74 -0.05 0.00 -2.10 0.00 0.00 70.33 69.39 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 0.00 0.22 -0.07 -0.78 -1.05 -1.26 -2.78 118.70 112.98 1wfj s GLU 72 Ca 0.00 0.11 -0.04 0.00 -0.15 0.00 0.00 54.97 54.89 1wfj s GLU 72 Cb 0.00 0.10 -0.04 0.00 -0.44 0.00 0.00 34.13 33.76 1wfj s GLU 72 CO 0.00 -0.06 0.11 -1.17 0.95 0.00 0.00 175.26 175.09 1wfj s LEU 73 N -0.68 4.12 -0.30 1.83 2.96 0.77 -4.87 118.68 122.51 1wfj s LEU 73 Ca 0.06 0.31 -0.08 0.00 -0.22 0.00 0.00 54.13 54.20 1wfj s LEU 73 Cb -0.02 -2.17 0.00 0.00 0.50 0.00 0.00 46.19 44.51 1wfj s LEU 73 CO -0.07 0.35 0.11 -0.54 -1.32 0.00 0.00 176.35 174.87 1wfj s LYS 74 N -1.33 3.18 -0.26 1.98 3.01 -0.93 -0.37 119.74 125.02 1wfj s LYS 74 Ca 0.19 -0.81 -0.08 0.00 -1.01 0.00 0.00 55.97 54.26 1wfj s LYS 74 Cb -0.12 -3.46 -0.03 0.00 -1.01 0.00 0.00 37.83 33.21 1wfj s LYS 74 CO 0.09 -0.44 0.10 0.00 0.51 0.00 0.00 175.35 175.61 1wfj s ALA 75 N 1.55 3.23 -0.20 5.17 0.00 0.19 -2.41 121.76 129.29 1wfj s ALA 75 Ca 0.03 -1.16 0.01 0.00 0.00 0.00 0.00 51.96 50.84 1wfj s ALA 75 Cb -0.17 -2.18 0.04 0.00 0.00 0.00 0.00 23.12 20.80 1wfj s ALA 75 CO 0.04 -0.56 -0.14 0.15 0.00 0.00 0.00 175.76 175.25 1wfj s LYS 76 N 1.64 2.40 0.08 0.00 1.02 -1.24 0.15 119.74 123.78 1wfj s LYS 76 Ca 0.06 -0.89 -0.26 0.00 0.02 0.00 0.00 55.97 54.90 1wfj s LYS 76 Cb -0.16 -2.51 -0.06 0.00 -0.52 0.00 0.00 37.83 34.59 1wfj s LYS 76 CO 0.05 -0.36 0.80 0.42 -0.92 0.00 0.00 175.35 175.34 1wfj s ILE 77 N 1.32 4.63 0.04 2.17 1.09 0.43 -2.70 121.20 128.18 1wfj s ILE 77 Ca 0.00 1.72 0.01 0.00 -1.10 0.00 0.00 60.65 61.28 1wfj s ILE 77 Cb -0.15 -4.16 -0.00 0.00 -1.06 0.00 0.00 42.46 37.09 1wfj s ILE 77 CO -0.09 0.38 0.02 0.49 -0.10 0.00 0.00 174.94 175.64 1wfj n PHE 78 N 2.61 -0.02 -4.94 3.97 3.72 -0.49 0.67 117.46 122.97 1wfj n PHE 78 Ca -0.02 -0.31 -0.29 0.00 -0.05 0.00 0.00 57.45 56.78 1wfj n PHE 78 Cb 0.50 0.01 -0.17 0.00 -0.94 0.00 0.00 39.48 38.88 1wfj n PHE 78 CO 0.00 0.00 0.00 -0.51 -0.05 0.00 0.00 176.76 176.20 1wfj s ASP 79 N -1.28 2.61 0.35 4.37 1.11 -1.26 -1.45 116.67 121.11 1wfj s ASP 79 Ca 0.03 -0.47 0.14 0.00 0.18 0.00 0.00 52.55 52.44 1wfj s ASP 79 Cb 0.00 -1.19 1.13 0.00 1.07 0.00 0.00 42.92 43.92 1wfj s ASP 79 CO 0.02 0.11 1.59 0.50 1.18 0.00 0.00 175.17 178.57 1wfj h LYS 80 N 6.86 0.05 -1.83 8.23 3.64 -1.26 1.57 116.57 133.83 1wfj h LYS 80 Ca -0.24 -0.00 -0.30 0.00 -1.27 0.00 0.00 60.65 58.83 1wfj h LYS 80 Cb 1.22 -0.01 -0.12 0.00 -0.41 0.00 0.00 32.23 32.91 1wfj h LYS 80 CO 0.48 0.03 0.20 -0.25 -2.27 0.00 0.00 179.45 177.63 1wfj n ASP 81 N -5.30 6.08 -3.56 4.20 8.00 -1.26 -4.79 116.55 119.91 1wfj n ASP 81 Ca 0.32 -2.90 -0.17 0.00 0.71 0.00 0.00 54.79 52.75 1wfj n ASP 81 Cb 1.08 -1.19 -0.06 0.00 -0.02 0.00 0.00 41.12 40.93 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 -1.33 0.01 -0.09 2.53 1.01 0.54 -5.15 120.40 117.92 1wfj s VAL 82 Ca 0.42 -0.09 -0.17 0.00 0.00 0.00 0.00 61.98 62.14 1wfj s VAL 82 Cb 0.26 -0.93 -0.05 0.00 0.00 0.00 0.00 36.38 35.66 1wfj s VAL 82 CO -0.07 -0.05 0.43 -0.83 0.00 0.00 0.00 175.10 174.58 1wfj s GLY 83 N -1.29 2.40 0.49 4.51 0.00 -1.26 -4.66 107.32 107.50 1wfj s GLY 83 Ca -0.11 -0.23 0.44 0.00 0.00 0.00 0.00 44.72 44.82 1wfj s GLY 83 CO 0.08 0.54 1.43 -1.30 0.00 0.00 0.00 173.10 173.84 1wfj n THR 84 N 3.09 -0.04 -2.42 0.90 -2.24 -1.26 0.14 114.28 112.46 1wfj n THR 84 Ca -0.10 1.41 -0.36 0.00 -2.27 0.00 0.00 64.05 62.74 1wfj n THR 84 Cb 0.52 -2.34 0.01 0.00 -2.10 0.00 0.00 70.33 66.42 1wfj n THR 84 CO 0.00 0.00 0.00 -1.84 -0.57 0.00 0.00 175.07 172.66 1wfj n GLU 85 N -3.88 3.76 0.11 -0.78 0.28 -1.26 -4.54 120.64 114.34 1wfj n GLU 85 Ca 0.40 -4.28 0.00 0.00 -0.16 0.00 0.00 57.16 53.12 1wfj n GLU 85 Cb 1.79 -2.32 0.00 0.00 1.43 0.00 0.00 31.44 32.34 1wfj n GLU 85 CO 0.00 0.00 0.00 -3.47 -0.16 0.00 0.00 177.13 173.50 1wfj n ASP 86 N -0.34 0.20 -3.23 -1.84 2.03 0.38 -5.12 116.55 108.63 1wfj n ASP 86 Ca 0.45 0.37 0.04 0.00 0.52 0.00 0.00 54.79 56.16 1wfj n ASP 86 Cb 0.35 0.18 -0.04 0.00 -0.72 0.00 0.00 41.12 40.89 1wfj n ASP 86 CO 0.00 0.00 0.00 -0.62 -1.92 0.00 0.00 177.20 174.66 1wfj s ASP 87 N -5.29 -0.07 -0.33 1.67 2.15 -1.25 -5.03 116.67 108.51 1wfj s ASP 87 Ca 0.00 0.10 -0.19 0.00 0.43 0.00 0.00 52.55 52.89 1wfj s ASP 87 Cb 0.00 1.08 -0.01 0.00 -0.30 0.00 0.00 42.92 43.69 1wfj s ASP 87 CO 0.00 -0.01 0.57 0.00 -0.17 0.00 0.00 175.17 175.56 1wfj s ALA 88 N 1.96 3.49 0.57 3.66 0.00 -1.26 -4.59 121.76 125.59 1wfj s ALA 88 Ca -0.00 -0.85 0.40 0.00 0.00 0.00 0.00 51.96 51.51 1wfj s ALA 88 Cb -0.01 -3.06 1.46 0.00 0.00 0.00 0.00 23.12 21.51 1wfj s ALA 88 CO -0.16 -1.17 1.57 -0.39 0.00 0.00 0.00 175.76 175.61 1wfj h VAL 89 N 5.59 0.11 -1.78 0.00 -1.51 -0.07 -3.43 116.25 115.16 1wfj h VAL 89 Ca -0.27 0.00 0.39 0.00 -1.23 0.00 0.00 66.70 65.58 1wfj h VAL 89 Cb 1.12 0.13 -0.09 0.00 -2.13 0.00 0.00 31.29 30.32 1wfj h VAL 89 CO 0.79 0.00 0.97 -0.83 -1.23 0.00 0.00 177.57 177.27 1wfj s GLY 90 N -3.76 -0.27 0.18 5.19 0.00 -1.08 -4.78 107.32 102.80 1wfj s GLY 90 Ca -0.04 0.34 -0.12 0.00 0.00 0.00 0.00 44.72 44.90 1wfj s GLY 90 CO 0.73 4.67 0.38 -1.83 0.00 0.00 0.00 173.10 177.06 1wfj s GLU 91 N -2.04 1.27 -0.00 2.90 4.04 0.17 0.16 118.70 125.19 1wfj s GLU 91 Ca 0.27 -1.09 -0.16 0.00 0.04 0.00 0.00 54.97 54.03 1wfj s GLU 91 Cb 0.02 0.43 0.03 0.00 0.02 0.00 0.00 34.13 34.63 1wfj s GLU 91 CO -0.03 -0.50 0.33 0.00 -1.84 0.00 0.00 175.26 173.23 1wfj s ALA 92 N -3.94 -0.83 -0.32 -0.84 0.00 0.41 -0.55 121.76 115.69 1wfj s ALA 92 Ca 0.15 0.31 -0.08 0.00 0.00 0.00 0.00 51.96 52.35 1wfj s ALA 92 Cb 0.02 0.14 0.01 0.00 0.00 0.00 0.00 23.12 23.29 1wfj s ALA 92 CO 0.00 -0.31 0.12 0.99 0.00 0.00 0.00 175.76 176.56 1wfj s THR 93 N -1.64 4.14 -0.49 0.00 2.01 -1.26 -0.64 115.64 117.76 1wfj s THR 93 Ca -0.11 -0.76 -0.06 0.00 0.31 0.00 0.00 61.69 61.08 1wfj s THR 93 Cb -0.04 -3.20 0.13 0.00 0.01 0.00 0.00 72.50 69.40 1wfj s THR 93 CO 0.03 -0.02 0.32 -0.63 -0.69 0.00 0.00 174.62 173.63 1wfj s ILE 94 N 1.51 3.79 0.49 1.82 1.01 0.50 -4.90 121.20 125.43 1wfj s ILE 94 Ca 0.02 -2.16 -0.20 0.00 0.00 0.00 0.00 60.65 58.31 1wfj s ILE 94 Cb -0.18 -3.52 -0.08 0.00 0.01 0.00 0.00 42.46 38.69 1wfj s ILE 94 CO 0.04 -0.77 1.04 -2.16 0.00 0.00 0.00 174.94 173.08 1wfj s PRO 95 N 0.93 3.77 0.00 2.79 0.04 -1.26 0.27 135.00 141.54 1wfj s PRO 95 Ca 0.10 1.34 0.16 0.00 0.04 0.00 0.00 61.00 62.64 1wfj s PRO 95 Cb -0.23 -2.09 0.00 0.00 0.04 0.00 0.00 34.50 32.22 1wfj s PRO 95 CO -0.03 -0.46 0.87 1.28 0.04 0.00 0.00 177.00 178.70 1wfj n LEU 96 N -1.06 1.69 -0.29 -3.56 7.99 -1.12 -4.46 117.00 116.20 1wfj n LEU 96 Ca 0.09 -0.78 0.06 0.00 -0.01 0.00 0.00 56.01 55.37 1wfj n LEU 96 Cb 0.53 0.00 0.21 0.00 -0.11 0.00 0.00 43.42 44.04 1wfj n LEU 96 CO 0.40 0.32 1.10 -0.08 -1.51 0.00 0.00 177.39 177.62 1wfj h GLU 97 N 1.90 0.62 0.00 3.23 4.81 -1.93 1.64 114.58 124.84 1wfj h GLU 97 Ca 0.00 -0.04 -0.10 0.00 -0.13 0.00 0.00 59.36 59.09 1wfj h GLU 97 Cb 0.56 -0.14 -0.01 0.00 0.63 0.00 0.00 28.75 29.79 1wfj h GLU 97 CO 0.00 0.41 -0.47 -1.00 -0.73 0.00 0.00 179.01 177.22 1wfj h PRO 98 N 0.63 0.00 -0.00 0.92 0.13 -1.95 -2.15 132.00 129.58 1wfj h PRO 98 Ca 0.44 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.57 1wfj h PRO 98 Cb 0.58 0.00 0.00 0.00 0.13 0.00 0.00 31.00 31.71 1wfj h PRO 98 CO -0.34 0.47 -0.38 1.55 -0.23 0.00 0.00 178.00 179.07 1wfj n VAL 99 N -3.44 0.00 -0.04 1.56 3.14 0.46 -2.20 118.33 117.81 1wfj n VAL 99 Ca 0.00 -0.05 -0.15 0.00 -2.96 0.00 0.00 64.34 61.19 1wfj n VAL 99 Cb 0.61 0.26 -0.14 0.00 -1.06 0.00 0.00 33.84 33.50 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 -1.17 0.84 0.06 1.45 3.72 0.53 -1.69 117.46 121.19 1wfj n PHE 100 Ca 0.08 0.23 -0.18 0.00 -0.05 0.00 0.00 57.45 57.54 1wfj n PHE 100 Cb 0.34 -1.13 -0.14 0.00 -0.94 0.00 0.00 39.48 37.60 1wfj n PHE 100 CO 0.00 0.00 0.00 -0.39 -0.05 0.00 0.00 176.76 176.32 1wfj h VAL 101 N 0.03 1.07 0.03 -4.37 -1.51 -1.50 -3.37 116.25 106.63 1wfj h VAL 101 Ca -0.41 -2.72 -0.13 0.00 -1.23 0.00 0.00 66.70 62.21 1wfj h VAL 101 Cb 2.04 2.73 -0.01 0.00 -2.13 0.00 0.00 31.29 33.92 1wfj h VAL 101 CO 0.05 0.81 -0.66 -0.33 -1.23 0.00 0.00 177.57 176.22 1wfj h GLU 102 N 0.07 0.07 0.00 5.19 4.39 -1.63 -3.48 114.58 119.19 1wfj h GLU 102 Ca -0.27 -0.12 0.00 0.00 0.34 0.00 0.00 59.36 59.31 1wfj h GLU 102 Cb 2.03 0.05 0.00 0.00 -0.10 0.00 0.00 28.75 30.73 1wfj h GLU 102 CO 0.16 1.06 0.00 0.41 -1.16 0.00 0.00 179.01 179.47 1wfj n GLY 103 N 1.59 0.23 3.64 -3.84 0.00 -0.68 -5.01 105.19 101.12 1wfj n GLY 103 Ca -0.19 0.00 -0.02 0.00 0.00 0.00 0.00 46.02 45.81 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 -2.01 -0.52 -0.01 1.61 1.04 -1.25 -2.61 113.70 109.95 1wfj s SER 104 Ca 0.00 0.83 0.05 0.00 0.48 0.00 0.00 55.95 57.31 1wfj s SER 104 Cb 0.00 1.21 -0.01 0.00 0.10 0.00 0.00 66.02 67.32 1wfj s SER 104 CO 0.00 -0.13 -0.16 -0.63 0.98 0.00 0.00 173.24 173.30 1wfj s ILE 105 N 1.35 1.25 0.95 -1.02 -1.09 0.46 -4.90 121.20 118.19 1wfj s ILE 105 Ca -0.09 -0.70 -0.13 0.00 -2.23 0.00 0.00 60.65 57.49 1wfj s ILE 105 Cb -0.04 -1.04 0.16 0.00 -1.58 0.00 0.00 42.46 39.96 1wfj s ILE 105 CO -0.15 0.33 1.16 -2.16 -1.23 0.00 0.00 174.94 172.89 1wfj s PRO 106 N -0.43 0.84 -0.59 2.79 0.04 -1.26 -1.68 135.00 134.71 1wfj s PRO 106 Ca 0.06 0.17 -0.27 0.00 0.04 0.00 0.00 61.00 61.00 1wfj s PRO 106 Cb -0.06 -1.82 0.01 0.00 0.04 0.00 0.00 34.50 32.67 1wfj s PRO 106 CO -0.00 -2.38 1.52 -1.25 0.04 0.00 0.00 177.00 174.92 1wfj s PRO 107 N -5.36 3.13 0.10 0.56 0.04 -1.26 -4.34 135.00 127.87 1wfj s PRO 107 Ca 0.66 0.43 0.06 0.00 0.04 0.00 0.00 61.00 62.19 1wfj s PRO 107 Cb -0.13 -4.20 -0.04 0.00 0.04 0.00 0.00 34.50 30.17 1wfj s PRO 107 CO 0.53 -2.15 -0.07 0.99 0.04 0.00 0.00 177.00 176.35 1wfj s THR 108 N 6.75 3.58 -0.60 1.26 2.01 -0.82 -4.69 115.64 123.13 1wfj s THR 108 Ca 0.54 -1.17 -0.28 0.00 0.31 0.00 0.00 61.69 61.10 1wfj s THR 108 Cb -0.11 -2.68 0.03 0.00 0.01 0.00 0.00 72.50 69.74 1wfj s THR 108 CO 0.23 0.12 1.25 0.00 -0.69 0.00 0.00 174.62 175.53 1wfj s ALA 109 N -1.24 2.92 0.05 7.40 0.00 -1.26 -1.81 121.76 127.83 1wfj s ALA 109 Ca 0.23 -0.87 -0.24 0.00 0.00 0.00 0.00 51.96 51.08 1wfj s ALA 109 Cb -0.11 -4.08 -0.06 0.00 0.00 0.00 0.00 23.12 18.86 1wfj s ALA 109 CO 0.15 -2.81 0.73 0.71 0.00 0.00 0.00 175.76 174.54 1wfj s TYR 110 N 5.31 3.75 0.00 0.00 2.02 0.52 -4.65 117.35 124.31 1wfj s TYR 110 Ca 0.44 1.44 -0.36 0.00 -0.37 0.00 0.00 57.07 58.21 1wfj s TYR 110 Cb -0.08 -2.76 -0.15 0.00 -0.40 0.00 0.00 41.96 38.57 1wfj s TYR 110 CO 0.24 0.34 1.55 0.09 -1.57 0.00 0.00 175.55 176.20 1wfj n ASN 111 N 2.56 2.39 -4.23 2.29 4.13 -1.26 0.42 115.26 121.56 1wfj n ASN 111 Ca -0.04 1.08 -0.36 0.00 1.68 0.00 0.00 54.58 56.95 1wfj n ASN 111 Cb 0.50 -1.26 -0.14 0.00 -1.54 0.00 0.00 39.78 37.35 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 1.70 3.24 0.40 2.41 1.01 0.47 -4.24 120.40 125.40 1wfj s VAL 112 Ca 0.87 -1.06 0.07 0.00 0.00 0.00 0.00 61.98 61.86 1wfj s VAL 112 Cb -0.88 -2.73 -0.06 0.00 0.00 0.00 0.00 36.38 32.72 1wfj s VAL 112 CO 0.49 0.05 0.14 0.68 0.00 0.00 0.00 175.10 176.46 1wfj s VAL 113 N 1.35 2.31 -0.36 2.92 -7.23 0.29 0.17 120.40 119.85 1wfj s VAL 113 Ca -0.01 -1.77 0.01 0.00 -1.81 0.00 0.00 61.98 58.40 1wfj s VAL 113 Cb -0.18 -2.98 0.15 0.00 0.56 0.00 0.00 36.38 33.93 1wfj s VAL 113 CO -0.01 -0.02 0.25 -0.75 -0.31 0.00 0.00 175.10 174.26 1wfj s LYS 114 N -3.85 0.62 0.00 4.82 2.47 0.47 0.42 119.74 124.69 1wfj s LYS 114 Ca 0.39 -1.42 0.00 0.00 -1.56 0.00 0.00 55.97 53.39 1wfj s LYS 114 Cb 0.04 -1.25 0.00 0.00 -1.46 0.00 0.00 37.83 35.17 1wfj s LYS 114 CO 0.22 -1.24 0.00 -3.47 0.16 0.00 0.00 175.35 171.01 1wfj n ASP 115 N 3.84 0.00 0.00 1.43 -0.08 -1.26 -3.21 116.55 117.27 1wfj n ASP 115 Ca 0.15 0.00 0.00 0.00 -1.51 0.00 0.00 54.79 53.43 1wfj n ASP 115 Cb 0.40 0.00 0.00 0.00 2.34 0.00 0.00 41.12 43.86 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 -1.62 0.00 -3.19 -0.67 0.28 -1.26 -5.13 120.64 109.04 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 4.32 -0.35 3.44 2.02 -1.20 -4.99 118.70 121.95 1wfj s GLU 117 Ca 0.00 0.78 -0.29 0.00 0.02 0.00 0.00 54.97 55.48 1wfj s GLU 117 Cb 0.00 -3.32 0.00 0.00 0.10 0.00 0.00 34.13 30.91 1wfj s GLU 117 CO 0.00 0.41 1.36 -0.47 0.02 0.00 0.00 175.26 176.59 1wfj s TYR 118 N -0.37 2.53 -0.09 1.61 5.04 -1.26 0.18 117.35 124.99 1wfj s TYR 118 Ca 0.31 0.76 0.14 0.00 -2.44 0.00 0.00 57.07 55.85 1wfj s TYR 118 Cb -0.19 -4.10 -0.09 0.00 0.35 0.00 0.00 41.96 37.94 1wfj s TYR 118 CO 0.18 -1.89 1.10 0.87 -1.34 0.00 0.00 175.55 174.47 1wfj h LYS 119 N 9.99 0.00 0.00 4.97 1.79 0.15 -3.48 116.57 129.99 1wfj h LYS 119 Ca -0.27 0.00 0.00 0.00 -2.18 0.00 0.00 60.65 58.20 1wfj h LYS 119 Cb 1.10 0.00 0.00 0.00 -1.58 0.00 0.00 32.23 31.75 1wfj h LYS 119 CO 1.06 0.50 0.00 0.41 -1.08 0.00 0.00 179.45 180.33 1wfj n GLY 120 N 1.34 -0.31 3.10 3.86 0.00 -0.31 -3.83 105.19 109.05 1wfj n GLY 120 Ca -0.05 -0.73 -0.16 0.00 0.00 0.00 0.00 46.02 45.08 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 -2.00 0.68 -0.14 1.61 -1.05 -0.52 0.18 118.70 117.46 1wfj s GLU 121 Ca 0.00 -0.78 0.02 0.00 -0.15 0.00 0.00 54.97 54.06 1wfj s GLU 121 Cb 0.00 -0.59 0.01 0.00 -0.44 0.00 0.00 34.13 33.12 1wfj s GLU 121 CO 0.00 0.13 -0.21 -1.50 0.95 0.00 0.00 175.26 174.63 1wfj s ILE 122 N -1.16 2.00 -0.18 1.83 2.07 0.17 -1.60 121.20 124.33 1wfj s ILE 122 Ca -0.05 -0.94 -0.23 0.00 -1.41 0.00 0.00 60.65 58.02 1wfj s ILE 122 Cb -0.09 -1.77 -0.02 0.00 0.13 0.00 0.00 42.46 40.71 1wfj s ILE 122 CO 0.01 0.54 0.73 0.26 -1.91 0.00 0.00 174.94 174.57 1wfj s TRP 123 N 0.84 3.40 -0.11 3.50 0.52 0.27 0.19 118.94 127.56 1wfj s TRP 123 Ca -0.07 1.10 -0.15 0.00 0.02 0.00 0.00 56.10 57.00 1wfj s TRP 123 Cb -0.15 -2.90 0.04 0.00 -1.15 0.00 0.00 33.47 29.30 1wfj s TRP 123 CO -0.02 -0.20 0.39 0.08 0.02 0.00 0.00 176.95 177.22 1wfj s VAL 124 N 1.98 0.02 0.06 4.03 1.01 -0.75 -2.56 120.40 124.19 1wfj s VAL 124 Ca 0.34 -0.13 0.05 0.00 0.00 0.00 0.00 61.98 62.24 1wfj s VAL 124 Cb -0.16 -0.60 -0.04 0.00 0.00 0.00 0.00 36.38 35.58 1wfj s VAL 124 CO 0.12 -0.07 -0.06 0.00 0.00 0.00 0.00 175.10 175.08 1wfj s ALA 125 N -0.29 3.07 -0.02 5.51 0.00 -0.07 -1.94 121.76 128.04 1wfj s ALA 125 Ca -0.04 -1.13 0.07 0.00 0.00 0.00 0.00 51.96 50.85 1wfj s ALA 125 Cb -0.03 -1.06 -0.02 0.00 0.00 0.00 0.00 23.12 22.01 1wfj s ALA 125 CO 0.02 0.65 -0.21 -0.51 0.00 0.00 0.00 175.76 175.70 1wfj s LEU 126 N -1.96 2.04 -0.32 0.00 1.43 -0.68 -0.38 118.68 118.81 1wfj s LEU 126 Ca 0.21 -0.39 0.01 0.00 -1.03 0.00 0.00 54.13 52.93 1wfj s LEU 126 Cb -0.11 -1.11 0.14 0.00 0.03 0.00 0.00 46.19 45.14 1wfj s LEU 126 CO 0.13 0.26 0.30 -0.44 0.23 0.00 0.00 176.35 176.83 1wfj s SER 127 N -0.49 1.78 0.27 2.29 0.01 0.03 0.17 113.70 117.76 1wfj s SER 127 Ca 0.08 -1.23 -0.30 0.00 1.31 0.00 0.00 55.95 55.81 1wfj s SER 127 Cb -0.08 0.37 -0.09 0.00 0.21 0.00 0.00 66.02 66.42 1wfj s SER 127 CO -0.01 -0.34 1.10 0.12 0.41 0.00 0.00 173.24 174.52 1wfj s PHE 128 N 1.89 3.59 -0.40 2.43 5.36 -1.07 -1.17 117.98 128.61 1wfj s PHE 128 Ca 0.13 1.69 0.02 0.00 -0.96 0.00 0.00 56.93 57.81 1wfj s PHE 128 Cb -0.15 -3.28 0.12 0.00 -0.34 0.00 0.00 43.02 39.36 1wfj s PHE 128 CO -0.20 -0.54 0.16 0.15 -1.46 0.00 0.00 175.22 173.33 1wfj s LYS 129 N -1.31 1.34 0.12 10.12 1.02 0.18 -4.71 119.74 126.50 1wfj s LYS 129 Ca 0.45 -1.87 -0.30 0.00 0.02 0.00 0.00 55.97 54.26 1wfj s LYS 129 Cb -0.32 -2.69 -0.07 0.00 -0.52 0.00 0.00 37.83 34.24 1wfj s LYS 129 CO 0.40 -1.05 1.14 -1.25 -0.92 0.00 0.00 175.35 173.67 1wfj s PRO 130 N 0.67 4.52 -0.84 -1.68 0.04 -1.26 -0.05 135.00 136.40 1wfj s PRO 130 Ca 0.14 1.74 -0.24 0.00 0.04 0.00 0.00 61.00 62.67 1wfj s PRO 130 Cb -0.22 -3.31 -0.17 0.00 0.04 0.00 0.00 34.50 30.85 1wfj s PRO 130 CO -0.08 -0.08 2.34 0.45 0.04 0.00 0.00 177.00 179.67 1wfj n SER 131 N 3.06 1.45 -1.56 6.66 2.88 -1.23 -4.87 113.62 120.01 1wfj n SER 131 Ca 0.05 -1.56 0.00 0.00 -1.33 0.00 0.00 58.87 56.03 1wfj n SER 131 Cb 0.46 -1.58 0.00 0.00 -0.75 0.00 0.00 64.21 62.35 1wfj n SER 131 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 1wfj n GLY 132 N 6.59 0.19 3.77 0.46 0.00 -1.26 -4.99 105.19 109.96 1wfj n GLY 132 Ca 0.47 -1.33 -0.38 0.00 0.00 0.00 0.00 46.02 44.78 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 0.00 4.34 0.09 1.61 0.04 -1.26 -4.84 135.00 134.98 1wfj s PRO 133 Ca 0.00 1.61 0.00 0.00 0.04 0.00 0.00 61.00 62.65 1wfj s PRO 133 Cb 0.00 -2.78 0.00 0.00 0.04 0.00 0.00 34.50 31.76 1wfj s PRO 133 CO 0.00 -0.00 0.00 0.45 0.04 0.00 0.00 177.00 177.49 1wfj n SER 134 N 0.40 -1.64 -3.64 6.66 2.88 -1.26 -5.09 113.62 111.93 1wfj n SER 134 Ca 0.03 0.20 -0.01 0.00 -1.33 0.00 0.00 58.87 57.75 1wfj n SER 134 Cb 0.48 -0.89 -0.01 0.00 -0.75 0.00 0.00 64.21 63.04 1wfj n SER 134 CO 0.00 0.00 0.00 -0.44 -1.23 0.00 0.00 175.04 173.37 1wfj s SER 135 N -5.42 -0.11 0.00 -3.46 0.01 -1.26 -5.07 113.70 98.39 1wfj s SER 135 Ca 0.00 -0.17 0.00 0.00 1.31 0.00 0.00 55.95 57.09 1wfj s SER 135 Cb 0.00 0.24 0.00 0.00 0.21 0.00 0.00 66.02 66.47 1wfj s SER 135 CO 0.00 -0.44 0.00 0.61 0.41 0.00 0.00 173.24 173.82