#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 -0.62 -0.24 1.61 0.15 -1.26 -5.18 113.70 108.17 1wfj s SER 2 Ca 0.00 1.02 -0.33 0.00 0.70 0.00 0.00 55.95 57.35 1wfj s SER 2 Cb 0.00 0.98 0.16 0.00 -1.71 0.00 0.00 66.02 65.45 1wfj s SER 2 CO 0.00 -0.33 1.28 -0.44 1.20 0.00 0.00 173.24 174.95 1wfj s SER 3 N -0.21 -0.10 0.00 5.45 0.01 -1.26 -5.18 113.70 112.41 1wfj s SER 3 Ca -0.02 0.06 0.00 0.00 1.31 0.00 0.00 55.95 57.30 1wfj s SER 3 Cb -0.03 0.09 0.00 0.00 0.21 0.00 0.00 66.02 66.29 1wfj s SER 3 CO 0.02 -0.13 0.00 0.61 0.41 0.00 0.00 173.24 174.15 1wfj n GLY 4 N 0.28 1.58 3.00 3.44 0.00 -1.26 -5.12 105.19 107.11 1wfj n GLY 4 Ca -0.00 -1.73 0.01 0.00 0.00 0.00 0.00 46.02 44.29 1wfj n GLY 4 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 1wfj s SER 5 N -1.00 -1.07 0.01 1.61 1.04 -1.26 -5.05 113.70 107.98 1wfj s SER 5 Ca 0.00 -0.64 -0.29 0.00 0.48 0.00 0.00 55.95 55.50 1wfj s SER 5 Cb 0.00 1.37 0.10 0.00 0.10 0.00 0.00 66.02 67.59 1wfj s SER 5 CO 0.00 -0.11 1.01 -0.55 0.98 0.00 0.00 173.24 174.57 1wfj s SER 6 N 1.76 -0.24 0.00 7.02 0.15 -1.26 -5.08 113.70 116.05 1wfj s SER 6 Ca 0.17 -0.13 0.00 0.00 0.70 0.00 0.00 55.95 56.69 1wfj s SER 6 Cb -0.00 0.35 0.00 0.00 -1.71 0.00 0.00 66.02 64.65 1wfj s SER 6 CO -0.10 -0.60 0.00 0.61 1.20 0.00 0.00 173.24 174.36 1wfj n GLY 7 N -0.31 -0.39 0.00 9.45 0.00 -1.26 -4.71 105.19 107.96 1wfj n GLY 7 Ca -0.06 -1.23 0.00 0.00 0.00 0.00 0.00 46.02 44.72 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 0.00 -0.20 -3.64 1.61 -0.04 -1.26 -5.02 135.00 126.45 1wfj n PRO 8 Ca 0.00 0.00 -0.05 0.00 -0.04 0.00 0.00 63.50 63.41 1wfj n PRO 8 Cb 0.00 0.00 -0.07 0.00 -0.04 0.00 0.00 33.50 33.39 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 -0.80 -0.37 -2.95 0.54 -3.43 -1.26 -4.57 115.29 102.45 1wfj s HIS 9 Ca 0.00 0.83 0.00 0.00 -0.80 0.00 0.00 55.06 55.09 1wfj s HIS 9 Cb 0.00 0.35 0.00 0.00 -1.43 0.00 0.00 32.58 31.50 1wfj s HIS 9 CO 0.00 -0.18 0.00 0.41 -2.00 0.00 0.00 174.74 172.97 1wfj n GLY 10 N 2.55 -0.32 3.53 -1.38 0.00 -1.14 -3.30 105.19 105.13 1wfj n GLY 10 Ca -0.14 -0.76 -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 3.14 0.05 2.61 2.01 -0.22 -1.61 115.64 117.61 1wfj s THR 11 Ca 0.00 -1.28 0.07 0.00 0.31 0.00 0.00 61.69 60.79 1wfj s THR 11 Cb 0.00 -2.43 -0.03 0.00 0.01 0.00 0.00 72.50 70.05 1wfj s THR 11 CO 0.00 0.17 -0.17 -0.22 -0.69 0.00 0.00 174.62 173.71 1wfj s LEU 12 N -1.99 2.69 -0.15 4.42 1.98 -0.59 0.61 118.68 125.65 1wfj s LEU 12 Ca 0.19 -0.42 0.01 0.00 -2.89 0.00 0.00 54.13 51.02 1wfj s LEU 12 Cb -0.11 -1.56 0.02 0.00 0.66 0.00 0.00 46.19 45.20 1wfj s LEU 12 CO 0.11 0.24 -0.17 -0.70 -1.89 0.00 0.00 176.35 173.94 1wfj s GLU 13 N -1.56 2.54 -0.31 1.98 2.12 0.29 -1.38 118.70 122.38 1wfj s GLU 13 Ca 0.16 -0.66 -0.05 0.00 0.36 0.00 0.00 54.97 54.78 1wfj s GLU 13 Cb -0.11 -2.21 0.04 0.00 0.26 0.00 0.00 34.13 32.11 1wfj s GLU 13 CO 0.06 -0.16 0.06 0.08 -0.54 0.00 0.00 175.26 174.76 1wfj s VAL 14 N 1.25 3.51 -0.87 3.70 1.01 0.19 -0.18 120.40 129.01 1wfj s VAL 14 Ca 0.01 -1.13 -0.12 0.00 0.00 0.00 0.00 61.98 60.74 1wfj s VAL 14 Cb -0.14 -2.95 0.23 0.00 0.00 0.00 0.00 36.38 33.52 1wfj s VAL 14 CO -0.08 -0.09 0.81 -0.69 0.00 0.00 0.00 175.10 175.05 1wfj s VAL 15 N 1.37 5.57 -0.82 2.92 1.01 0.22 -0.05 120.40 130.61 1wfj s VAL 15 Ca -0.02 -2.68 -0.25 0.00 0.00 0.00 0.00 61.98 59.03 1wfj s VAL 15 Cb -0.19 -4.43 -0.04 0.00 0.00 0.00 0.00 36.38 31.72 1wfj s VAL 15 CO 0.01 -1.05 1.92 -0.22 0.00 0.00 0.00 175.10 175.76 1wfj s LEU 16 N -0.11 3.20 0.00 3.92 2.96 -1.17 -0.88 118.68 126.61 1wfj s LEU 16 Ca 0.20 -0.41 0.00 0.00 -0.22 0.00 0.00 54.13 53.71 1wfj s LEU 16 Cb -0.10 -2.55 0.00 0.00 0.50 0.00 0.00 46.19 44.03 1wfj s LEU 16 CO -0.09 -2.63 0.02 0.52 -1.32 0.00 0.00 176.35 172.85 1wfj n VAL 17 N 7.68 0.00 -3.69 1.68 0.31 -0.70 -0.41 118.33 123.20 1wfj n VAL 17 Ca 0.35 0.31 -0.08 0.00 -0.01 0.00 0.00 64.34 64.90 1wfj n VAL 17 Cb 0.48 -0.88 0.01 0.00 -0.91 0.00 0.00 33.84 32.54 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 -0.03 -1.65 -4.02 4.52 3.41 -1.04 0.25 113.62 115.06 1wfj n SER 18 Ca 0.00 -2.30 -0.12 0.00 -0.26 0.00 0.00 58.87 56.18 1wfj n SER 18 Cb 0.00 2.80 -0.12 0.00 -0.26 0.00 0.00 64.21 66.63 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 -1.99 0.40 0.10 7.33 0.00 -1.18 0.21 121.76 126.63 1wfj s ALA 19 Ca 0.15 -0.62 0.05 0.00 0.00 0.00 0.00 51.96 51.55 1wfj s ALA 19 Cb -0.03 0.05 -0.03 0.00 0.00 0.00 0.00 23.12 23.11 1wfj s ALA 19 CO 0.11 -0.04 -0.14 0.15 0.00 0.00 0.00 175.76 175.84 1wfj s LYS 20 N -1.30 0.93 0.46 0.00 1.02 -0.39 -3.43 119.74 117.03 1wfj s LYS 20 Ca -0.10 -1.12 0.08 0.00 0.02 0.00 0.00 55.97 54.85 1wfj s LYS 20 Cb -0.09 -0.85 0.01 0.00 -0.52 0.00 0.00 37.83 36.38 1wfj s LYS 20 CO -0.00 0.17 0.46 0.20 -0.92 0.00 0.00 175.35 175.27 1wfj s GLY 21 N -2.15 2.09 0.00 -3.33 0.00 -1.24 -1.82 107.32 100.87 1wfj s GLY 21 Ca 0.04 -1.79 0.00 0.00 0.00 0.00 0.00 44.72 42.97 1wfj s GLY 21 CO 0.02 -1.70 0.00 1.04 0.00 0.00 0.00 173.10 172.46 1wfj n LEU 22 N -1.72 0.00 0.09 0.66 7.99 -1.25 -4.93 117.00 117.84 1wfj n LEU 22 Ca 0.05 0.00 -0.22 0.00 -0.01 0.00 0.00 56.01 55.83 1wfj n LEU 22 Cb 0.62 0.00 -0.15 0.00 -0.11 0.00 0.00 43.42 43.78 1wfj n LEU 22 CO 0.41 -0.86 -0.41 1.05 -1.51 0.00 0.00 177.39 176.07 1wfj h GLU 23 N 0.00 0.41 -2.28 3.23 4.11 -2.00 -3.37 114.58 114.68 1wfj h GLU 23 Ca 0.00 -0.69 -0.69 0.00 0.07 0.00 0.00 59.36 58.05 1wfj h GLU 23 Cb 0.00 0.26 -0.35 0.00 0.50 0.00 0.00 28.75 29.16 1wfj h GLU 23 CO 0.00 1.32 0.10 -3.47 0.07 0.00 0.00 179.01 177.03 1wfj n ASP 24 N -3.60 5.74 -3.56 3.06 2.03 -1.26 -4.92 116.55 114.04 1wfj n ASP 24 Ca -0.21 -3.68 -0.00 0.00 0.52 0.00 0.00 54.79 51.42 1wfj n ASP 24 Cb 1.08 -0.84 -0.04 0.00 -0.72 0.00 0.00 41.12 40.61 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 -3.80 -2.12 0.03 -1.67 0.00 -1.26 -5.05 121.76 107.89 1wfj s ALA 25 Ca 0.44 2.26 -0.25 0.00 0.00 0.00 0.00 51.96 54.41 1wfj s ALA 25 Cb 0.23 -1.86 -0.18 0.00 0.00 0.00 0.00 23.12 21.32 1wfj s ALA 25 CO -0.13 -1.00 1.47 0.38 0.00 0.00 0.00 175.76 176.49 1wfj h ASP 26 N 7.98 0.01 0.00 0.00 2.03 -1.91 -3.39 116.42 121.13 1wfj h ASP 26 Ca -0.19 -0.28 0.00 0.00 -0.73 0.00 0.00 57.03 55.84 1wfj h ASP 26 Cb 1.11 -0.00 0.00 0.00 -0.83 0.00 0.00 39.33 39.61 1wfj h ASP 26 CO 0.12 0.28 0.00 0.33 -1.03 0.00 0.00 179.24 178.94 1wfj n PHE 27 N -4.95 0.00 0.52 4.15 -0.00 -1.26 0.14 117.46 116.05 1wfj n PHE 27 Ca -0.08 0.00 0.05 0.00 -0.00 0.00 0.00 57.45 57.42 1wfj n PHE 27 Cb 0.15 0.00 0.26 0.00 -0.00 0.00 0.00 39.48 39.90 1wfj n PHE 27 CO 0.00 0.00 0.00 1.28 -0.00 0.00 0.00 176.76 178.04 1wfj n LEU 28 N 0.00 0.00 -2.74 -2.13 7.99 -1.26 -4.79 117.00 114.07 1wfj n LEU 28 Ca 0.00 0.16 -0.38 0.00 -0.01 0.00 0.00 56.01 55.78 1wfj n LEU 28 Cb 0.00 -0.16 -0.08 0.00 -0.11 0.00 0.00 43.42 43.07 1wfj n LEU 28 CO 0.00 -0.11 1.13 -3.20 -1.51 0.00 0.00 177.39 173.69 1wfj n ASN 29 N -1.16 0.47 -3.40 -1.43 2.85 0.37 -0.01 115.26 112.95 1wfj n ASN 29 Ca 0.06 0.42 -0.17 0.00 -0.11 0.00 0.00 54.58 54.78 1wfj n ASN 29 Cb 0.06 -0.58 0.01 0.00 1.24 0.00 0.00 39.78 40.51 1wfj n ASN 29 CO 0.00 0.00 0.00 -3.20 -2.11 0.00 0.00 177.26 171.95 1wfj n ASN 30 N 4.91 -6.28 -3.22 1.20 2.85 -1.12 -4.90 115.26 108.70 1wfj n ASN 30 Ca 0.36 -0.36 -0.15 0.00 -0.11 0.00 0.00 54.58 54.32 1wfj n ASN 30 Cb -0.02 -3.29 -0.04 0.00 1.24 0.00 0.00 39.78 37.67 1wfj n ASN 30 CO 0.00 0.00 0.00 -0.04 -2.11 0.00 0.00 177.26 175.11 1wfj s MET 31 N -3.63 1.92 -0.40 1.20 -1.94 0.99 -4.99 119.30 112.45 1wfj s MET 31 Ca 0.10 -1.79 0.12 0.00 -1.71 0.00 0.00 55.69 52.40 1wfj s MET 31 Cb -0.02 0.44 0.37 0.00 2.01 0.00 0.00 34.83 37.64 1wfj s MET 31 CO 0.83 -0.79 0.83 -0.25 -0.01 0.00 0.00 175.02 175.63 1wfj n ASP 32 N -1.45 1.80 -4.80 3.03 9.92 -1.25 -4.27 116.55 119.53 1wfj n ASP 32 Ca 0.01 -3.11 -0.29 0.00 -0.53 0.00 0.00 54.79 50.87 1wfj n ASP 32 Cb 0.62 -0.58 0.11 0.00 -0.64 0.00 0.00 41.12 40.62 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 -2.81 1.70 -0.13 -0.24 0.04 -1.26 -2.08 135.00 130.23 1wfj s PRO 33 Ca 0.40 0.49 -0.09 0.00 0.04 0.00 0.00 61.00 61.84 1wfj s PRO 33 Cb 0.36 -1.89 0.04 0.00 0.04 0.00 0.00 34.50 33.06 1wfj s PRO 33 CO -0.07 -1.86 0.33 1.52 0.04 0.00 0.00 177.00 176.96 1wfj s TYR 34 N -3.21 -0.42 0.20 0.56 1.13 -0.03 -2.58 117.35 112.99 1wfj s TYR 34 Ca 0.62 0.98 -0.17 0.00 -1.41 0.00 0.00 57.07 57.09 1wfj s TYR 34 Cb -0.15 0.14 -0.08 0.00 -1.10 0.00 0.00 41.96 40.78 1wfj s TYR 34 CO 0.54 -0.24 0.64 0.08 -2.51 0.00 0.00 175.55 174.06 1wfj s VAL 35 N 0.84 4.72 -0.41 -3.49 1.01 -1.26 -2.60 120.40 119.20 1wfj s VAL 35 Ca -0.05 1.03 0.03 0.00 0.00 0.00 0.00 61.98 62.98 1wfj s VAL 35 Cb -0.06 -3.78 0.12 0.00 0.00 0.00 0.00 36.38 32.66 1wfj s VAL 35 CO -0.06 0.18 0.17 -1.58 0.00 0.00 0.00 175.10 173.81 1wfj s GLN 36 N -2.08 1.41 0.19 2.72 0.74 -1.13 -1.07 119.66 120.44 1wfj s GLN 36 Ca 0.42 -1.96 -0.31 0.00 0.05 0.00 0.00 55.36 53.55 1wfj s GLN 36 Cb -0.15 -2.75 -0.10 0.00 1.10 0.00 0.00 33.01 31.11 1wfj s GLN 36 CO 0.20 -1.06 1.56 -0.51 -0.55 0.00 0.00 175.29 174.93 1wfj s LEU 37 N 0.55 4.37 -0.02 3.68 2.01 0.14 -4.32 118.68 125.10 1wfj s LEU 37 Ca 0.14 2.67 0.04 0.00 0.01 0.00 0.00 54.13 56.99 1wfj s LEU 37 Cb -0.22 -3.60 -0.01 0.00 0.01 0.00 0.00 46.19 42.37 1wfj s LEU 37 CO -0.07 -0.82 -0.15 -0.89 1.01 0.00 0.00 176.35 175.44 1wfj s THR 38 N 0.90 1.17 -0.13 5.49 2.01 -1.17 0.10 115.64 124.01 1wfj s THR 38 Ca 0.68 -0.62 -0.04 0.00 0.31 0.00 0.00 61.69 62.03 1wfj s THR 38 Cb -0.44 -0.98 0.06 0.00 0.01 0.00 0.00 72.50 71.14 1wfj s THR 38 CO 0.34 0.33 0.15 0.00 -0.69 0.00 0.00 174.62 174.75 1wfj n ARG 40 N 5.31 0.00 -2.42 0.00 1.74 -1.26 0.24 116.66 120.27 1wfj n ARG 40 Ca -0.05 0.00 -0.02 0.00 -0.77 0.00 0.00 57.85 57.01 1wfj n ARG 40 Cb 0.50 0.00 0.05 0.00 -1.02 0.00 0.00 32.46 31.98 1wfj n ARG 40 CO 0.00 0.00 0.00 0.25 -1.52 0.00 0.00 177.63 176.36 1wfj n THR 41 N 0.00 1.24 -3.65 0.55 -2.24 -1.26 -5.03 114.28 103.89 1wfj n THR 41 Ca 0.00 -2.75 -0.24 0.00 -2.27 0.00 0.00 64.05 58.79 1wfj n THR 41 Cb 0.00 0.89 -0.17 0.00 -2.10 0.00 0.00 70.33 68.95 1wfj n THR 41 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 1wfj s GLN 42 N -3.09 0.10 0.16 -0.78 -2.07 0.14 -5.14 119.66 108.98 1wfj s GLN 42 Ca 0.32 0.05 0.07 0.00 -1.82 0.00 0.00 55.36 53.98 1wfj s GLN 42 Cb 0.35 -1.37 -0.04 0.00 -1.09 0.00 0.00 33.01 30.86 1wfj s GLN 42 CO -0.05 -0.53 -0.02 0.16 -1.32 0.00 0.00 175.29 173.52 1wfj s ASP 43 N 2.12 4.70 -0.20 12.60 -4.77 -1.26 0.43 116.67 130.29 1wfj s ASP 43 Ca 0.03 -0.40 -0.08 0.00 -3.30 0.00 0.00 52.55 48.80 1wfj s ASP 43 Cb -0.15 -0.98 0.09 0.00 -1.09 0.00 0.00 42.92 40.79 1wfj s ASP 43 CO -0.07 0.10 0.44 -1.10 0.70 0.00 0.00 175.17 175.24 1wfj s GLN 44 N -2.84 0.36 0.37 2.11 -0.21 0.28 -4.96 119.66 114.77 1wfj s GLN 44 Ca 0.27 1.03 -0.05 0.00 0.02 0.00 0.00 55.36 56.62 1wfj s GLN 44 Cb -0.09 0.31 -0.05 0.00 1.00 0.00 0.00 33.01 34.18 1wfj s GLN 44 CO 0.18 -0.23 0.66 0.15 -2.12 0.00 0.00 175.29 173.92 1wfj s LYS 45 N 2.42 3.61 0.29 2.91 1.02 -1.26 0.28 119.74 129.02 1wfj s LYS 45 Ca -0.03 0.09 0.09 0.00 0.02 0.00 0.00 55.97 56.13 1wfj s LYS 45 Cb -0.11 -2.53 -0.04 0.00 -0.52 0.00 0.00 37.83 34.63 1wfj s LYS 45 CO -0.13 0.05 0.09 0.45 -0.92 0.00 0.00 175.35 174.89 1wfj s SER 46 N -3.55 4.79 0.81 2.83 0.15 -0.23 -4.95 113.70 113.55 1wfj s SER 46 Ca 0.46 -0.61 -0.16 0.00 0.70 0.00 0.00 55.95 56.33 1wfj s SER 46 Cb -0.10 -0.91 -0.05 0.00 -1.71 0.00 0.00 66.02 63.25 1wfj s SER 46 CO 0.35 -0.12 0.19 0.59 1.20 0.00 0.00 173.24 175.45 1wfj n ASN 47 N -1.05 -2.56 -4.70 5.45 3.02 -1.26 -4.64 115.26 109.52 1wfj n ASN 47 Ca -0.05 0.46 -0.42 0.00 -0.03 0.00 0.00 54.58 54.54 1wfj n ASN 47 Cb 0.60 -1.09 -0.03 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 -2.06 4.88 -1.06 2.41 1.01 -1.26 -4.73 120.40 119.58 1wfj s VAL 48 Ca 0.58 1.95 -0.22 0.00 0.00 0.00 0.00 61.98 64.28 1wfj s VAL 48 Cb -0.30 -4.27 -0.10 0.00 0.00 0.00 0.00 36.38 31.71 1wfj s VAL 48 CO 0.66 0.14 1.92 0.00 0.00 0.00 0.00 175.10 177.82 1wfj n ALA 49 N 4.16 2.35 -2.12 5.51 0.00 -1.06 -4.90 120.51 124.45 1wfj n ALA 49 Ca 0.05 -3.14 -0.42 0.00 0.00 0.00 0.00 53.44 49.93 1wfj n ALA 49 Cb 0.50 -3.53 -0.03 0.00 0.00 0.00 0.00 19.45 16.40 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 5.92 4.22 -0.52 0.00 2.02 -1.26 -3.89 118.70 125.19 1wfj s GLU 50 Ca 0.64 2.06 -0.28 0.00 0.02 0.00 0.00 54.97 57.42 1wfj s GLU 50 Cb 0.04 -3.81 0.04 0.00 0.10 0.00 0.00 34.13 30.51 1wfj s GLU 50 CO 0.13 -0.74 0.61 0.41 0.02 0.00 0.00 175.26 175.69 1wfj n GLY 51 N 3.91 -0.19 0.02 -1.39 0.00 -1.26 -4.91 105.19 101.38 1wfj n GLY 51 Ca 0.16 0.96 -0.03 0.00 0.00 0.00 0.00 46.02 47.11 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 -0.80 2.70 0.00 1.61 2.81 -1.25 -5.10 117.12 117.09 1wfj n MET 52 Ca -0.14 0.00 0.00 0.00 -1.81 0.00 0.00 57.70 55.75 1wfj n MET 52 Cb 0.65 -1.12 0.00 0.00 -0.71 0.00 0.00 33.22 32.04 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 2.80 0.59 0.38 3.03 0.00 -1.26 -4.21 105.19 106.52 1wfj n GLY 53 Ca -0.08 -1.73 0.04 0.00 0.00 0.00 0.00 46.02 44.25 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 0.26 -3.37 2.61 -2.24 -1.26 -2.78 114.28 107.49 1wfj n THR 54 Ca 0.00 -0.27 -0.26 0.00 -2.27 0.00 0.00 64.05 61.25 1wfj n THR 54 Cb 0.00 0.13 -0.10 0.00 -2.10 0.00 0.00 70.33 68.27 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 -1.74 0.24 -0.61 4.28 -4.23 -1.26 -3.69 115.64 108.62 1wfj s THR 55 Ca 0.17 -2.42 -0.27 0.00 -1.18 0.00 0.00 61.69 57.98 1wfj s THR 55 Cb 0.09 -1.17 0.01 0.00 1.34 0.00 0.00 72.50 72.76 1wfj s THR 55 CO 0.12 -1.14 1.52 -2.16 -0.54 0.00 0.00 174.62 172.42 1wfj s PRO 56 N 0.26 3.08 0.17 3.99 0.04 -1.22 -4.82 135.00 136.49 1wfj s PRO 56 Ca 0.31 0.37 -0.06 0.00 0.04 0.00 0.00 61.00 61.65 1wfj s PRO 56 Cb -0.00 -4.22 -0.06 0.00 0.04 0.00 0.00 34.50 30.26 1wfj s PRO 56 CO -0.16 -2.21 0.42 -2.00 0.04 0.00 0.00 177.00 173.09 1wfj s GLU 57 N 6.01 3.66 0.03 4.56 2.12 -1.26 -3.11 118.70 130.71 1wfj s GLU 57 Ca 0.53 -0.00 0.00 0.00 0.36 0.00 0.00 54.97 55.86 1wfj s GLU 57 Cb -0.11 -2.79 0.00 0.00 0.26 0.00 0.00 34.13 31.49 1wfj s GLU 57 CO 0.22 0.42 0.00 0.91 -0.54 0.00 0.00 175.26 176.27 1wfj n TRP 58 N -0.02 -0.16 -3.35 5.30 8.01 0.14 -4.83 117.44 122.52 1wfj n TRP 58 Ca -0.02 0.03 -0.22 0.00 -1.31 0.00 0.00 57.50 55.98 1wfj n TRP 58 Cb 0.52 0.16 0.06 0.00 -2.01 0.00 0.00 31.31 30.05 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 -2.97 -6.04 -3.10 -0.99 3.02 0.45 -5.00 115.26 100.64 1wfj n ASN 59 Ca 0.00 -0.43 -0.08 0.00 -0.03 0.00 0.00 54.58 54.03 1wfj n ASN 59 Cb 0.28 -4.72 0.04 0.00 -0.61 0.00 0.00 39.78 34.76 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 -4.44 0.60 -3.66 3.52 -0.58 -1.00 -4.95 120.64 110.12 1wfj n GLU 60 Ca -0.03 -1.17 -0.09 0.00 -0.42 0.00 0.00 57.16 55.45 1wfj n GLU 60 Cb 0.57 -0.18 -0.10 0.00 -0.57 0.00 0.00 31.44 31.17 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 -0.74 -0.52 0.02 2.62 2.01 -1.26 -3.01 115.64 114.76 1wfj s THR 61 Ca 0.25 0.16 0.08 0.00 0.31 0.00 0.00 61.69 62.50 1wfj s THR 61 Cb -0.02 -0.64 -0.03 0.00 0.01 0.00 0.00 72.50 71.82 1wfj s THR 61 CO 0.16 0.07 -0.23 -0.36 -0.69 0.00 0.00 174.62 173.57 1wfj s PHE 62 N 2.39 2.42 0.08 4.92 0.40 0.92 -4.94 117.98 124.16 1wfj s PHE 62 Ca -0.03 -0.36 0.07 0.00 -0.60 0.00 0.00 56.93 56.02 1wfj s PHE 62 Cb -0.11 -1.45 -0.04 0.00 0.51 0.00 0.00 43.02 41.93 1wfj s PHE 62 CO -0.12 0.13 -0.14 0.42 0.70 0.00 0.00 175.22 176.20 1wfj s ILE 63 N -0.79 3.07 0.12 0.64 -1.09 -1.26 0.57 121.20 122.45 1wfj s ILE 63 Ca 0.12 -1.26 -0.02 0.00 -2.23 0.00 0.00 60.65 57.27 1wfj s ILE 63 Cb -0.10 -2.37 -0.04 0.00 -1.58 0.00 0.00 42.46 38.37 1wfj s ILE 63 CO 0.02 0.21 0.06 -0.36 -1.23 0.00 0.00 174.94 173.64 1wfj s PHE 64 N -1.08 0.75 -0.38 3.97 0.08 -0.48 -4.97 117.98 115.88 1wfj s PHE 64 Ca 0.18 -1.16 -0.11 0.00 0.12 0.00 0.00 56.93 55.96 1wfj s PHE 64 Cb -0.11 -0.42 0.04 0.00 -0.57 0.00 0.00 43.02 41.96 1wfj s PHE 64 CO 0.09 -0.51 0.22 0.99 -0.10 0.00 0.00 175.22 175.91 1wfj s THR 65 N -4.02 4.52 0.06 0.64 2.01 -1.26 -1.54 115.64 116.05 1wfj s THR 65 Ca 0.20 -0.95 -0.09 0.00 0.31 0.00 0.00 61.69 61.16 1wfj s THR 65 Cb 0.07 -3.57 -0.05 0.00 0.01 0.00 0.00 72.50 68.96 1wfj s THR 65 CO -0.01 -0.28 0.36 -0.69 -0.69 0.00 0.00 174.62 173.31 1wfj s VAL 66 N 1.53 5.16 0.08 3.82 1.01 -0.63 -4.96 120.40 126.41 1wfj s VAL 66 Ca 0.02 0.36 0.00 0.00 0.00 0.00 0.00 61.98 62.36 1wfj s VAL 66 Cb -0.20 -3.62 0.00 0.00 0.00 0.00 0.00 36.38 32.56 1wfj s VAL 66 CO 0.06 0.31 0.00 -0.24 0.00 0.00 0.00 175.10 175.23 1wfj n SER 67 N 0.95 -0.32 -3.52 3.32 2.88 -1.26 -2.87 113.62 112.80 1wfj n SER 67 Ca -0.09 0.14 -0.16 0.00 -1.33 0.00 0.00 58.87 57.43 1wfj n SER 67 Cb 0.52 0.45 -0.05 0.00 -0.75 0.00 0.00 64.21 64.38 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 -1.22 0.98 0.00 -1.46 -1.05 -1.26 -4.45 118.70 110.24 1wfj s GLU 68 Ca 0.00 0.16 0.00 0.00 -0.15 0.00 0.00 54.97 54.98 1wfj s GLU 68 Cb 0.00 0.46 0.00 0.00 -0.44 0.00 0.00 34.13 34.15 1wfj s GLU 68 CO 0.00 -0.32 0.00 0.41 0.95 0.00 0.00 175.26 176.30 1wfj n GLY 69 N 0.73 2.01 3.59 -3.83 0.00 -1.26 -4.93 105.19 101.50 1wfj n GLY 69 Ca -0.17 -0.28 -0.42 0.00 0.00 0.00 0.00 46.02 45.16 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 3.53 -0.06 2.61 2.01 -1.26 -4.76 115.64 117.70 1wfj s THR 70 Ca 0.00 0.49 0.09 0.00 0.31 0.00 0.00 61.69 62.58 1wfj s THR 70 Cb 0.00 -3.84 0.14 0.00 0.01 0.00 0.00 72.50 68.81 1wfj s THR 70 CO 0.00 -0.63 1.03 0.35 -0.69 0.00 0.00 174.62 174.69 1wfj n THR 71 N 7.29 1.06 -3.48 -0.82 -2.24 -1.26 -4.81 114.28 110.01 1wfj n THR 71 Ca 0.21 -1.25 -0.11 0.00 -2.27 0.00 0.00 64.05 60.64 1wfj n THR 71 Cb 0.48 0.18 -0.03 0.00 -2.10 0.00 0.00 70.33 68.86 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 -1.55 0.98 0.02 -0.78 1.03 -1.26 -0.06 118.70 117.07 1wfj s GLU 72 Ca 0.16 -0.26 0.07 0.00 0.03 0.00 0.00 54.97 54.97 1wfj s GLU 72 Cb 0.14 0.45 -0.03 0.00 -0.80 0.00 0.00 34.13 33.89 1wfj s GLU 72 CO 0.01 -0.41 -0.20 -1.17 -1.33 0.00 0.00 175.26 172.16 1wfj s LEU 73 N -2.32 2.45 -0.24 1.83 2.96 0.87 -4.82 118.68 119.41 1wfj s LEU 73 Ca 0.01 -0.43 -0.09 0.00 -0.22 0.00 0.00 54.13 53.41 1wfj s LEU 73 Cb -0.01 -1.45 -0.04 0.00 0.50 0.00 0.00 46.19 45.19 1wfj s LEU 73 CO -0.08 0.28 0.11 -0.54 -1.32 0.00 0.00 176.35 174.81 1wfj s LYS 74 N -1.14 3.88 -0.26 1.98 3.01 -1.23 -0.85 119.74 125.13 1wfj s LYS 74 Ca 0.13 -0.37 0.03 0.00 -1.01 0.00 0.00 55.97 54.74 1wfj s LYS 74 Cb -0.10 -3.41 0.06 0.00 -1.01 0.00 0.00 37.83 33.36 1wfj s LYS 74 CO 0.03 -0.03 -0.11 0.00 0.51 0.00 0.00 175.35 175.75 1wfj s ALA 75 N 1.24 2.56 -0.07 5.17 0.00 -0.93 -3.04 121.76 126.69 1wfj s ALA 75 Ca 0.06 -1.73 0.03 0.00 0.00 0.00 0.00 51.96 50.32 1wfj s ALA 75 Cb -0.14 -1.57 -0.02 0.00 0.00 0.00 0.00 23.12 21.38 1wfj s ALA 75 CO 0.05 -1.14 -0.15 0.15 0.00 0.00 0.00 175.76 174.67 1wfj s LYS 76 N 1.12 2.67 -0.16 0.00 1.02 -1.26 -0.61 119.74 122.53 1wfj s LYS 76 Ca -0.08 -0.72 -0.07 0.00 0.02 0.00 0.00 55.97 55.12 1wfj s LYS 76 Cb -0.19 -2.40 -0.04 0.00 -0.52 0.00 0.00 37.83 34.67 1wfj s LYS 76 CO -0.05 0.52 0.10 0.42 -0.92 0.00 0.00 175.35 175.42 1wfj s ILE 77 N -0.47 5.16 0.02 2.17 1.09 0.62 -2.82 121.20 126.97 1wfj s ILE 77 Ca 0.06 0.09 0.01 0.00 -1.10 0.00 0.00 60.65 59.71 1wfj s ILE 77 Cb -0.12 -3.29 -0.02 0.00 -1.06 0.00 0.00 42.46 37.97 1wfj s ILE 77 CO 0.02 0.52 -0.05 -0.36 -0.10 0.00 0.00 174.94 174.97 1wfj s PHE 78 N -0.22 0.45 0.16 3.97 0.08 -1.07 0.20 117.98 121.54 1wfj s PHE 78 Ca 0.09 -0.35 -0.30 0.00 0.12 0.00 0.00 56.93 56.50 1wfj s PHE 78 Cb -0.12 -0.28 -0.07 0.00 -0.57 0.00 0.00 43.02 41.98 1wfj s PHE 78 CO 0.01 -0.08 1.06 0.34 -0.10 0.00 0.00 175.22 176.45 1wfj s ASP 79 N -1.01 7.33 0.61 1.36 -1.08 -1.26 -0.85 116.67 121.76 1wfj s ASP 79 Ca -0.07 2.02 0.27 0.00 -0.52 0.00 0.00 52.55 54.24 1wfj s ASP 79 Cb -0.07 -2.60 1.19 0.00 -1.46 0.00 0.00 42.92 39.98 1wfj s ASP 79 CO -0.00 -0.17 1.60 0.07 0.52 0.00 0.00 175.17 177.19 1wfj h LYS 80 N 5.19 0.00 0.15 4.34 2.10 -1.75 1.89 116.57 128.49 1wfj h LYS 80 Ca -0.44 0.00 -0.31 0.00 -2.00 0.00 0.00 60.65 57.90 1wfj h LYS 80 Cb 1.21 0.00 0.03 0.00 -0.90 0.00 0.00 32.23 32.57 1wfj h LYS 80 CO 0.72 0.00 -1.31 0.22 -2.00 0.00 0.00 179.45 177.08 1wfj h ASP 81 N 0.00 0.88 -3.85 7.07 3.58 -1.89 -3.46 116.42 118.75 1wfj h ASP 81 Ca 0.30 -0.85 -0.31 0.00 0.42 0.00 0.00 57.03 56.60 1wfj h ASP 81 Cb 1.91 -0.28 0.10 0.00 1.72 0.00 0.00 39.33 42.78 1wfj h ASP 81 CO -0.00 1.65 0.21 1.33 -2.88 0.00 0.00 179.24 179.55 1wfj n VAL 82 N -3.77 0.00 -4.18 2.25 0.24 0.64 -5.11 118.33 108.39 1wfj n VAL 82 Ca -0.15 -0.83 -0.18 0.00 -2.04 0.00 0.00 64.34 61.15 1wfj n VAL 82 Cb 1.02 -1.43 -0.12 0.00 -1.47 0.00 0.00 33.84 31.84 1wfj n VAL 82 CO 0.00 0.00 0.00 -0.83 -2.14 0.00 0.00 176.83 173.86 1wfj s GLY 83 N -4.74 0.90 0.46 7.63 0.00 -1.26 -4.63 107.32 105.68 1wfj s GLY 83 Ca 0.50 -1.08 0.39 0.00 0.00 0.00 0.00 44.72 44.53 1wfj s GLY 83 CO 0.34 -1.12 1.43 -1.30 0.00 0.00 0.00 173.10 172.46 1wfj n THR 84 N 1.05 -0.10 -3.88 0.90 -2.24 -1.26 -1.81 114.28 106.93 1wfj n THR 84 Ca -0.19 1.50 -0.30 0.00 -2.27 0.00 0.00 64.05 62.78 1wfj n THR 84 Cb 0.55 -2.48 -0.12 0.00 -2.10 0.00 0.00 70.33 66.18 1wfj n THR 84 CO 0.00 0.00 0.00 -1.83 -0.57 0.00 0.00 175.07 172.67 1wfj s GLU 85 N -4.88 2.37 0.00 -0.78 -1.05 -1.26 -4.76 118.70 108.34 1wfj s GLU 85 Ca -0.06 -3.03 0.00 0.00 -0.15 0.00 0.00 54.97 51.73 1wfj s GLU 85 Cb 0.26 -3.46 0.00 0.00 -0.44 0.00 0.00 34.13 30.50 1wfj s GLU 85 CO 0.79 -1.21 0.00 -3.47 0.95 0.00 0.00 175.26 172.32 1wfj n ASP 86 N 2.51 0.00 -3.08 0.83 -0.08 -0.75 -5.08 116.55 110.89 1wfj n ASP 86 Ca 0.14 0.00 -0.02 0.00 -1.51 0.00 0.00 54.79 53.40 1wfj n ASP 86 Cb 0.34 0.30 -0.01 0.00 2.34 0.00 0.00 41.12 44.10 1wfj n ASP 86 CO 0.00 0.00 0.00 -1.81 0.12 0.00 0.00 177.20 175.51 1wfj s ASP 87 N -0.41 -1.29 0.62 1.67 1.01 -1.26 -5.03 116.67 111.98 1wfj s ASP 87 Ca 0.00 -1.17 -0.17 0.00 0.71 0.00 0.00 52.55 51.92 1wfj s ASP 87 Cb 0.00 1.82 -0.06 0.00 1.01 0.00 0.00 42.92 45.68 1wfj s ASP 87 CO 0.00 -0.14 0.62 0.00 0.21 0.00 0.00 175.17 175.86 1wfj n ALA 88 N 3.92 -0.98 0.89 5.23 0.00 -1.26 -4.75 120.51 123.56 1wfj n ALA 88 Ca 0.14 -0.09 0.10 0.00 0.00 0.00 0.00 53.44 53.59 1wfj n ALA 88 Cb 0.56 -1.89 -0.12 0.00 0.00 0.00 0.00 19.45 17.99 1wfj n ALA 88 CO 0.00 0.00 0.00 1.55 0.00 0.00 0.00 177.50 179.05 1wfj n VAL 89 N -1.93 0.00 0.00 0.00 3.14 0.52 -4.98 118.33 115.09 1wfj n VAL 89 Ca 0.12 -0.06 0.00 0.00 -2.96 0.00 0.00 64.34 61.44 1wfj n VAL 89 Cb 0.48 0.92 0.00 0.00 -1.06 0.00 0.00 33.84 34.18 1wfj n VAL 89 CO 0.00 0.00 0.00 0.61 -6.46 0.00 0.00 176.83 170.98 1wfj n GLY 90 N 1.47 2.14 3.24 7.55 0.00 -1.13 -4.88 105.19 113.57 1wfj n GLY 90 Ca 0.03 -0.67 -0.09 0.00 0.00 0.00 0.00 46.02 45.30 1wfj n GLY 90 CO 0.00 0.00 0.00 -1.83 0.00 0.00 0.00 173.32 171.49 1wfj s GLU 91 N -2.00 0.93 -0.10 1.61 4.04 0.13 0.23 118.70 123.54 1wfj s GLU 91 Ca 0.00 -1.01 -0.19 0.00 0.04 0.00 0.00 54.97 53.81 1wfj s GLU 91 Cb 0.00 0.36 0.04 0.00 0.02 0.00 0.00 34.13 34.55 1wfj s GLU 91 CO 0.00 -0.31 0.47 0.00 -1.84 0.00 0.00 175.26 173.58 1wfj s ALA 92 N -3.89 -1.18 -0.33 -0.84 0.00 0.22 -0.09 121.76 115.66 1wfj s ALA 92 Ca 0.08 1.03 -0.14 0.00 0.00 0.00 0.00 51.96 52.93 1wfj s ALA 92 Cb 0.04 -0.36 -0.02 0.00 0.00 0.00 0.00 23.12 22.78 1wfj s ALA 92 CO -0.08 -0.27 0.29 0.99 0.00 0.00 0.00 175.76 176.69 1wfj s THR 93 N -0.53 5.24 -0.45 0.00 2.01 -1.26 -2.19 115.64 118.45 1wfj s THR 93 Ca -0.07 -0.01 -0.06 0.00 0.31 0.00 0.00 61.69 61.86 1wfj s THR 93 Cb -0.03 -3.73 0.12 0.00 0.01 0.00 0.00 72.50 68.86 1wfj s THR 93 CO 0.04 0.00 0.30 -0.63 -0.69 0.00 0.00 174.62 173.63 1wfj s ILE 94 N 1.86 3.83 0.17 1.82 1.01 -0.03 -4.91 121.20 124.96 1wfj s ILE 94 Ca 0.09 -1.94 -0.30 0.00 0.00 0.00 0.00 60.65 58.50 1wfj s ILE 94 Cb -0.17 -3.56 -0.07 0.00 0.01 0.00 0.00 42.46 38.67 1wfj s ILE 94 CO 0.11 -0.75 1.12 -2.16 0.00 0.00 0.00 174.94 173.26 1wfj s PRO 95 N 1.22 4.57 0.00 2.79 0.04 -1.26 0.30 135.00 142.65 1wfj s PRO 95 Ca 0.07 1.74 0.21 0.00 0.04 0.00 0.00 61.00 63.07 1wfj s PRO 95 Cb -0.25 -3.28 0.54 0.00 0.04 0.00 0.00 34.50 31.56 1wfj s PRO 95 CO -0.02 0.03 1.46 1.28 0.04 0.00 0.00 177.00 179.78 1wfj n LEU 96 N 2.49 3.25 -0.24 -3.56 4.77 0.91 -4.21 117.00 120.42 1wfj n LEU 96 Ca 0.03 -1.53 -0.07 0.00 -0.03 0.00 0.00 56.01 54.41 1wfj n LEU 96 Cb 0.46 -0.34 0.06 0.00 -2.33 0.00 0.00 43.42 41.28 1wfj n LEU 96 CO 0.54 0.77 0.93 -0.08 -1.33 0.00 0.00 177.39 178.22 1wfj h GLU 97 N 3.81 1.10 0.00 3.23 4.81 -1.89 -0.84 114.58 124.80 1wfj h GLU 97 Ca 0.00 -0.27 -0.10 0.00 -0.13 0.00 0.00 59.36 58.86 1wfj h GLU 97 Cb 0.86 -0.14 -0.01 0.00 0.63 0.00 0.00 28.75 30.08 1wfj h GLU 97 CO 0.00 0.98 -0.45 -1.00 -0.73 0.00 0.00 179.01 177.81 1wfj h PRO 98 N 1.04 0.00 -0.01 0.92 0.13 -1.92 -2.45 132.00 129.71 1wfj h PRO 98 Ca 0.21 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.34 1wfj h PRO 98 Cb 0.39 0.00 0.00 0.00 0.13 0.00 0.00 31.00 31.52 1wfj h PRO 98 CO 0.01 0.45 -0.06 1.55 -0.23 0.00 0.00 178.00 179.72 1wfj n VAL 99 N -3.43 0.00 -0.09 1.56 3.14 -0.95 -1.26 118.33 117.29 1wfj n VAL 99 Ca 0.00 -0.14 -0.10 0.00 -2.96 0.00 0.00 64.34 61.15 1wfj n VAL 99 Cb 0.60 0.13 -0.14 0.00 -1.06 0.00 0.00 33.84 33.37 1wfj n VAL 99 CO 0.00 0.00 0.00 0.49 -6.46 0.00 0.00 176.83 170.86 1wfj n PHE 100 N -0.45 0.00 -0.05 1.45 3.72 -0.36 -2.93 117.46 118.83 1wfj n PHE 100 Ca 0.18 0.00 -0.08 0.00 -0.05 0.00 0.00 57.45 57.50 1wfj n PHE 100 Cb 0.28 -0.91 -0.15 0.00 -0.94 0.00 0.00 39.48 37.76 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 -2.72 1.42 -0.06 -4.37 0.24 -0.96 -4.44 118.33 107.44 1wfj n VAL 101 Ca -0.31 -0.81 -0.21 0.00 -2.04 0.00 0.00 64.34 60.97 1wfj n VAL 101 Cb 1.09 -0.70 -0.13 0.00 -1.47 0.00 0.00 33.84 32.63 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 0.00 0.10 0.00 7.34 4.39 -1.40 -3.49 114.58 121.52 1wfj h GLU 102 Ca -0.39 -0.17 0.00 0.00 0.34 0.00 0.00 59.36 59.13 1wfj h GLU 102 Cb 2.06 0.06 0.00 0.00 -0.10 0.00 0.00 28.75 30.77 1wfj h GLU 102 CO 0.05 1.08 0.00 0.41 -1.16 0.00 0.00 179.01 179.39 1wfj n GLY 103 N 1.61 1.40 3.51 -3.84 0.00 -1.15 -4.99 105.19 101.72 1wfj n GLY 103 Ca -0.28 0.00 -0.00 0.00 0.00 0.00 0.00 46.02 45.74 1wfj n GLY 103 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1wfj s SER 104 N -1.66 -0.56 -0.06 1.61 0.01 -1.26 -2.67 113.70 109.12 1wfj s SER 104 Ca 0.00 0.81 0.03 0.00 1.31 0.00 0.00 55.95 58.10 1wfj s SER 104 Cb 0.00 1.49 -0.02 0.00 0.21 0.00 0.00 66.02 67.69 1wfj s SER 104 CO 0.00 -0.12 -0.14 -0.63 0.41 0.00 0.00 173.24 172.76 1wfj s ILE 105 N 2.00 3.04 0.89 1.44 -1.09 0.54 -4.93 121.20 123.09 1wfj s ILE 105 Ca -0.05 -0.73 -0.12 0.00 -2.23 0.00 0.00 60.65 57.52 1wfj s ILE 105 Cb -0.05 -2.19 0.12 0.00 -1.58 0.00 0.00 42.46 38.76 1wfj s ILE 105 CO -0.16 0.59 1.13 -2.16 -1.23 0.00 0.00 174.94 173.10 1wfj s PRO 106 N -0.63 1.35 -0.63 2.79 0.04 -1.26 -2.04 135.00 134.62 1wfj s PRO 106 Ca 0.09 0.36 -0.27 0.00 0.04 0.00 0.00 61.00 61.23 1wfj s PRO 106 Cb -0.11 -1.86 0.01 0.00 0.04 0.00 0.00 34.50 32.58 1wfj s PRO 106 CO 0.01 -2.07 1.54 -1.25 0.04 0.00 0.00 177.00 175.27 1wfj s PRO 107 N -5.25 3.03 0.12 0.56 0.04 -1.26 -4.36 135.00 127.89 1wfj s PRO 107 Ca 0.63 0.33 0.08 0.00 0.04 0.00 0.00 61.00 62.08 1wfj s PRO 107 Cb -0.15 -4.24 -0.04 0.00 0.04 0.00 0.00 34.50 30.12 1wfj s PRO 107 CO 0.53 -2.28 -0.12 0.99 0.04 0.00 0.00 177.00 176.17 1wfj s THR 108 N 7.04 3.22 -0.66 1.26 2.01 -1.04 -4.73 115.64 122.74 1wfj s THR 108 Ca 0.53 -1.40 -0.26 0.00 0.31 0.00 0.00 61.69 60.87 1wfj s THR 108 Cb -0.11 -2.52 0.04 0.00 0.01 0.00 0.00 72.50 69.92 1wfj s THR 108 CO 0.21 0.06 1.14 0.00 -0.69 0.00 0.00 174.62 175.34 1wfj s ALA 109 N -1.30 2.94 0.10 7.40 0.00 -1.25 -1.82 121.76 127.83 1wfj s ALA 109 Ca 0.21 -1.31 -0.30 0.00 0.00 0.00 0.00 51.96 50.56 1wfj s ALA 109 Cb -0.10 -4.05 -0.06 0.00 0.00 0.00 0.00 23.12 18.91 1wfj s ALA 109 CO 0.13 -2.90 0.97 0.71 0.00 0.00 0.00 175.76 174.67 1wfj s TYR 110 N 4.94 3.79 -0.13 0.00 2.02 0.48 -4.56 117.35 123.89 1wfj s TYR 110 Ca 0.34 1.78 -0.39 0.00 -0.37 0.00 0.00 57.07 58.43 1wfj s TYR 110 Cb -0.10 -3.07 -0.16 0.00 -0.40 0.00 0.00 41.96 38.23 1wfj s TYR 110 CO 0.17 0.15 1.59 0.09 -1.57 0.00 0.00 175.55 175.98 1wfj n ASN 111 N 2.89 2.13 -4.32 2.29 4.13 -1.26 0.33 115.26 121.46 1wfj n ASN 111 Ca 0.03 1.09 -0.37 0.00 1.68 0.00 0.00 54.58 57.01 1wfj n ASN 111 Cb 0.49 -1.17 -0.13 0.00 -1.54 0.00 0.00 39.78 37.43 1wfj n ASN 111 CO 0.00 0.00 0.00 -0.69 0.28 0.00 0.00 177.26 176.85 1wfj s VAL 112 N 2.35 3.74 0.39 2.41 1.01 0.80 -4.33 120.40 126.77 1wfj s VAL 112 Ca 0.93 -0.75 0.08 0.00 0.00 0.00 0.00 61.98 62.23 1wfj s VAL 112 Cb -1.01 -2.92 -0.07 0.00 0.00 0.00 0.00 36.38 32.38 1wfj s VAL 112 CO 0.58 0.11 0.04 0.68 0.00 0.00 0.00 175.10 176.50 1wfj s VAL 113 N 1.46 2.23 -0.37 2.92 -7.23 0.87 0.19 120.40 120.47 1wfj s VAL 113 Ca 0.02 -1.95 0.03 0.00 -1.81 0.00 0.00 61.98 58.27 1wfj s VAL 113 Cb -0.17 -2.91 0.16 0.00 0.56 0.00 0.00 36.38 34.02 1wfj s VAL 113 CO 0.01 -0.07 0.38 -0.75 -0.31 0.00 0.00 175.10 174.36 1wfj s LYS 114 N -3.74 0.66 0.00 4.82 2.47 0.12 0.20 119.74 124.27 1wfj s LYS 114 Ca 0.36 -0.91 0.00 0.00 -1.56 0.00 0.00 55.97 53.86 1wfj s LYS 114 Cb 0.05 -0.74 0.00 0.00 -1.46 0.00 0.00 37.83 35.69 1wfj s LYS 114 CO 0.19 -1.20 0.00 -3.47 0.16 0.00 0.00 175.35 171.03 1wfj n ASP 115 N 4.18 0.00 0.00 1.43 -0.08 -1.26 -3.37 116.55 117.45 1wfj n ASP 115 Ca 0.12 0.00 0.00 0.00 -1.51 0.00 0.00 54.79 53.40 1wfj n ASP 115 Cb 0.45 0.00 0.00 0.00 2.34 0.00 0.00 41.12 43.91 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 -0.89 0.00 -2.95 -0.67 0.28 -1.26 -5.13 120.64 110.02 1wfj n GLU 116 Ca 0.00 0.00 -0.40 0.00 -0.16 0.00 0.00 57.16 56.60 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 4.54 -0.79 3.44 2.02 -1.22 -4.99 118.70 121.71 1wfj s GLU 117 Ca 0.00 1.14 -0.26 0.00 0.02 0.00 0.00 54.97 55.87 1wfj s GLU 117 Cb 0.00 -3.34 0.02 0.00 0.10 0.00 0.00 34.13 30.92 1wfj s GLU 117 CO 0.00 0.36 1.45 -0.47 0.02 0.00 0.00 175.26 176.62 1wfj s TYR 118 N -0.36 2.21 0.15 1.61 5.04 -1.26 0.16 117.35 124.90 1wfj s TYR 118 Ca 0.39 -0.05 -0.15 0.00 -2.44 0.00 0.00 57.07 54.81 1wfj s TYR 118 Cb -0.22 -4.52 0.02 0.00 0.35 0.00 0.00 41.96 37.59 1wfj s TYR 118 CO 0.25 -2.06 1.77 0.87 -1.34 0.00 0.00 175.55 175.03 1wfj h LYS 119 N 10.84 0.61 0.00 4.97 1.79 0.17 -3.48 116.57 131.47 1wfj h LYS 119 Ca -0.14 -0.07 0.00 0.00 -2.18 0.00 0.00 60.65 58.26 1wfj h LYS 119 Cb 1.06 -0.12 0.00 0.00 -1.58 0.00 0.00 32.23 31.58 1wfj h LYS 119 CO 1.30 0.47 0.00 0.41 -1.08 0.00 0.00 179.45 180.55 1wfj n GLY 120 N -1.03 -0.47 3.10 3.86 0.00 -0.32 -3.90 105.19 106.44 1wfj n GLY 120 Ca 0.01 0.19 -0.12 0.00 0.00 0.00 0.00 46.02 46.09 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 0.00 0.33 -0.18 1.61 -1.05 -0.75 -0.14 118.70 118.51 1wfj s GLU 121 Ca 0.00 0.08 -0.02 0.00 -0.15 0.00 0.00 54.97 54.88 1wfj s GLU 121 Cb 0.00 0.15 -0.00 0.00 -0.44 0.00 0.00 34.13 33.84 1wfj s GLU 121 CO 0.00 -0.06 -0.10 -1.50 0.95 0.00 0.00 175.26 174.55 1wfj s ILE 122 N -0.37 3.00 -0.19 1.83 2.07 0.15 -1.26 121.20 126.43 1wfj s ILE 122 Ca -0.05 -0.64 -0.24 0.00 -1.41 0.00 0.00 60.65 58.32 1wfj s ILE 122 Cb -0.03 -2.31 -0.02 0.00 0.13 0.00 0.00 42.46 40.23 1wfj s ILE 122 CO 0.01 0.48 0.78 0.26 -1.91 0.00 0.00 174.94 174.55 1wfj s TRP 123 N 1.09 3.39 -0.18 3.50 0.52 0.58 0.18 118.94 128.01 1wfj s TRP 123 Ca 0.00 1.14 -0.16 0.00 0.02 0.00 0.00 56.10 57.11 1wfj s TRP 123 Cb -0.15 -2.96 0.05 0.00 -1.15 0.00 0.00 33.47 29.26 1wfj s TRP 123 CO -0.02 -0.26 0.47 0.08 0.02 0.00 0.00 176.95 177.24 1wfj s VAL 124 N 2.23 -0.00 -0.08 4.03 1.01 -0.75 -1.73 120.40 125.11 1wfj s VAL 124 Ca 0.35 0.01 -0.00 0.00 0.00 0.00 0.00 61.98 62.33 1wfj s VAL 124 Cb -0.16 -0.66 -0.03 0.00 0.00 0.00 0.00 36.38 35.53 1wfj s VAL 124 CO 0.11 0.00 -0.04 0.00 0.00 0.00 0.00 175.10 175.17 1wfj s ALA 125 N 0.34 3.10 -0.10 5.51 0.00 -0.06 -2.48 121.76 128.06 1wfj s ALA 125 Ca -0.01 -0.86 0.02 0.00 0.00 0.00 0.00 51.96 51.11 1wfj s ALA 125 Cb -0.04 -1.34 -0.02 0.00 0.00 0.00 0.00 23.12 21.73 1wfj s ALA 125 CO -0.00 0.56 -0.14 -0.51 0.00 0.00 0.00 175.76 175.66 1wfj s LEU 126 N -0.79 2.67 -0.19 0.00 1.43 -0.86 0.71 118.68 121.65 1wfj s LEU 126 Ca 0.12 -0.30 -0.04 0.00 -1.03 0.00 0.00 54.13 52.88 1wfj s LEU 126 Cb -0.11 -1.57 0.06 0.00 0.03 0.00 0.00 46.19 44.60 1wfj s LEU 126 CO 0.02 0.23 0.07 -0.44 0.23 0.00 0.00 176.35 176.47 1wfj s SER 127 N -0.07 2.71 0.32 2.29 0.01 0.74 0.20 113.70 119.91 1wfj s SER 127 Ca -0.03 -0.78 -0.06 0.00 1.31 0.00 0.00 55.95 56.39 1wfj s SER 127 Cb -0.14 -0.40 -0.05 0.00 0.21 0.00 0.00 66.02 65.64 1wfj s SER 127 CO 0.04 -0.34 0.61 0.12 0.41 0.00 0.00 173.24 174.08 1wfj s PHE 128 N 2.02 3.48 -0.35 2.43 5.36 -1.09 0.11 117.98 129.93 1wfj s PHE 128 Ca 0.02 0.73 -0.00 0.00 -0.96 0.00 0.00 56.93 56.72 1wfj s PHE 128 Cb -0.16 -2.18 0.14 0.00 -0.34 0.00 0.00 43.02 40.47 1wfj s PHE 128 CO -0.11 0.09 0.20 0.15 -1.46 0.00 0.00 175.22 174.09 1wfj s LYS 129 N -3.67 0.53 0.32 10.12 1.02 0.20 -4.71 119.74 123.54 1wfj s LYS 129 Ca 0.46 -1.26 -0.27 0.00 0.02 0.00 0.00 55.97 54.91 1wfj s LYS 129 Cb -0.11 -1.31 -0.09 0.00 -0.52 0.00 0.00 37.83 35.81 1wfj s LYS 129 CO 0.31 -1.19 1.07 -1.25 -0.92 0.00 0.00 175.35 173.37 1wfj s PRO 130 N 1.16 4.48 -1.07 -1.68 0.04 -1.26 -1.06 135.00 135.60 1wfj s PRO 130 Ca 0.17 1.68 -0.03 0.00 0.04 0.00 0.00 61.00 62.86 1wfj s PRO 130 Cb -0.22 -2.96 0.23 0.00 0.04 0.00 0.00 34.50 31.59 1wfj s PRO 130 CO -0.03 0.10 2.12 0.43 0.04 0.00 0.00 177.00 179.66 1wfj n SER 131 N 0.74 7.56 0.00 6.66 7.64 -1.21 -4.97 113.62 130.04 1wfj n SER 131 Ca 0.01 -3.48 0.00 0.00 1.01 0.00 0.00 58.87 56.42 1wfj n SER 131 Cb 0.47 -1.23 0.00 0.00 -1.01 0.00 0.00 64.21 62.43 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 0.59 0.68 3.61 0.23 0.00 -1.26 -3.97 105.19 105.06 1wfj n GLY 132 Ca 0.53 -0.84 -0.43 0.00 0.00 0.00 0.00 46.02 45.28 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 3.70 0.17 1.61 0.04 -1.26 -4.55 135.00 134.70 1wfj s PRO 133 Ca 0.00 1.08 0.00 0.00 0.04 0.00 0.00 61.00 62.12 1wfj s PRO 133 Cb 0.00 -3.98 0.00 0.00 0.04 0.00 0.00 34.50 30.56 1wfj s PRO 133 CO 0.00 -1.41 0.00 0.43 0.04 0.00 0.00 177.00 176.06 1wfj n SER 134 N 8.41 -8.98 -4.76 6.66 7.64 -1.26 -4.92 113.62 116.41 1wfj n SER 134 Ca 0.16 1.46 -0.34 0.00 1.01 0.00 0.00 58.87 61.15 1wfj n SER 134 Cb 0.47 -5.04 0.04 0.00 -1.01 0.00 0.00 64.21 58.67 1wfj n SER 134 CO 0.00 0.00 0.00 -0.94 -3.01 0.00 0.00 175.04 171.09 1wfj s SER 135 N -0.53 5.20 0.00 6.43 1.04 -1.26 -5.02 113.70 119.57 1wfj s SER 135 Ca 0.00 2.15 0.00 0.00 0.48 0.00 0.00 55.95 58.58 1wfj s SER 135 Cb 0.00 -2.57 0.00 0.00 0.10 0.00 0.00 66.02 63.55 1wfj s SER 135 CO 0.00 -1.57 0.02 0.61 0.98 0.00 0.00 173.24 173.28