#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 5.12 -0.29 1.61 0.15 -1.26 -5.11 113.70 113.92 1wfj s SER 2 Ca 0.00 -0.21 -0.26 0.00 0.70 0.00 0.00 55.95 56.19 1wfj s SER 2 Cb 0.00 -1.23 0.19 0.00 -1.71 0.00 0.00 66.02 63.26 1wfj s SER 2 CO 0.00 0.13 1.41 -0.55 1.20 0.00 0.00 173.24 175.43 1wfj s SER 3 N -2.67 -0.06 0.00 5.45 0.15 -1.26 -5.05 113.70 110.26 1wfj s SER 3 Ca 0.28 0.12 0.00 0.00 0.70 0.00 0.00 55.95 57.04 1wfj s SER 3 Cb -0.11 0.11 0.00 0.00 -1.71 0.00 0.00 66.02 64.32 1wfj s SER 3 CO 0.20 -0.03 0.00 0.61 1.20 0.00 0.00 173.24 175.22 1wfj n GLY 4 N 1.41 0.06 2.84 9.45 0.00 -1.26 -5.07 105.19 112.62 1wfj n GLY 4 Ca -0.09 -1.87 -0.06 0.00 0.00 0.00 0.00 46.02 44.00 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 0.00 -7.88 -4.13 1.61 7.64 -1.26 -4.47 113.62 105.13 1wfj n SER 5 Ca 0.00 0.81 -0.36 0.00 1.01 0.00 0.00 58.87 60.34 1wfj n SER 5 Cb 0.00 -5.17 0.07 0.00 -1.01 0.00 0.00 64.21 58.11 1wfj n SER 5 CO 0.00 0.00 0.00 -0.24 -3.01 0.00 0.00 175.04 171.79 1wfj n SER 6 N 0.07 -3.90 0.00 6.43 2.88 -1.26 -4.68 113.62 113.16 1wfj n SER 6 Ca 0.07 0.12 0.00 0.00 -1.33 0.00 0.00 58.87 57.73 1wfj n SER 6 Cb 0.32 -0.82 0.00 0.00 -0.75 0.00 0.00 64.21 62.96 1wfj n SER 6 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 1wfj n GLY 7 N 2.86 -0.59 0.00 0.46 0.00 -1.26 -5.02 105.19 101.64 1wfj n GLY 7 Ca 0.00 -1.21 0.00 0.00 0.00 0.00 0.00 46.02 44.81 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 -0.75 0.38 -3.62 1.61 -0.04 -1.26 -4.95 135.00 126.37 1wfj n PRO 8 Ca 0.00 0.00 -0.06 0.00 -0.04 0.00 0.00 63.50 63.40 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 -0.42 -0.25 -0.22 0.54 -3.43 -1.26 -4.28 115.29 105.98 1wfj s HIS 9 Ca 0.00 0.52 0.00 0.00 -0.80 0.00 0.00 55.06 54.78 1wfj s HIS 9 Cb 0.00 0.45 0.00 0.00 -1.43 0.00 0.00 32.58 31.60 1wfj s HIS 9 CO 0.00 -0.17 0.00 0.41 -2.00 0.00 0.00 174.74 172.98 1wfj n GLY 10 N 1.28 -0.28 3.73 -1.38 0.00 -1.22 -3.46 105.19 103.86 1wfj n GLY 10 Ca -0.09 -0.63 -0.30 0.00 0.00 0.00 0.00 46.02 45.00 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 4.23 0.03 2.61 2.01 -0.11 -0.21 115.64 120.19 1wfj s THR 11 Ca 0.00 -0.94 0.07 0.00 0.31 0.00 0.00 61.69 61.12 1wfj s THR 11 Cb 0.00 -3.04 -0.02 0.00 0.01 0.00 0.00 72.50 69.44 1wfj s THR 11 CO 0.00 0.09 -0.19 -0.22 -0.69 0.00 0.00 174.62 173.60 1wfj s LEU 12 N -2.45 2.13 0.04 4.42 2.96 0.05 0.96 118.68 126.79 1wfj s LEU 12 Ca 0.28 -0.46 0.04 0.00 -0.22 0.00 0.00 54.13 53.76 1wfj s LEU 12 Cb -0.12 -0.92 -0.04 0.00 0.50 0.00 0.00 46.19 45.62 1wfj s LEU 12 CO 0.20 0.16 -0.06 -0.70 -1.32 0.00 0.00 176.35 174.63 1wfj s GLU 13 N -0.97 2.49 -0.23 1.98 2.12 0.45 -0.02 118.70 124.51 1wfj s GLU 13 Ca 0.07 -0.79 -0.03 0.00 0.36 0.00 0.00 54.97 54.57 1wfj s GLU 13 Cb -0.08 -2.48 0.07 0.00 0.26 0.00 0.00 34.13 31.90 1wfj s GLU 13 CO 0.01 0.58 0.07 0.08 -0.54 0.00 0.00 175.26 175.46 1wfj s VAL 14 N -1.09 0.35 -0.47 3.70 1.01 0.35 -2.04 120.40 122.21 1wfj s VAL 14 Ca 0.19 -0.66 -0.13 0.00 0.00 0.00 0.00 61.98 61.38 1wfj s VAL 14 Cb -0.11 -1.04 0.09 0.00 0.00 0.00 0.00 36.38 35.32 1wfj s VAL 14 CO 0.11 -0.40 0.37 -0.69 0.00 0.00 0.00 175.10 174.49 1wfj s VAL 15 N 1.92 4.85 -0.92 2.92 1.01 0.33 0.16 120.40 130.66 1wfj s VAL 15 Ca 0.03 -1.31 -0.21 0.00 0.00 0.00 0.00 61.98 60.49 1wfj s VAL 15 Cb -0.17 -3.98 0.09 0.00 0.00 0.00 0.00 36.38 32.32 1wfj s VAL 15 CO -0.16 -0.63 1.23 -0.22 0.00 0.00 0.00 175.10 175.31 1wfj s LEU 16 N 1.54 4.33 0.00 3.92 2.96 -0.93 -0.12 118.68 130.38 1wfj s LEU 16 Ca 0.04 -1.62 0.00 0.00 -0.22 0.00 0.00 54.13 52.33 1wfj s LEU 16 Cb -0.25 -2.47 0.00 0.00 0.50 0.00 0.00 46.19 43.97 1wfj s LEU 16 CO 0.04 -1.31 0.00 0.52 -1.32 0.00 0.00 176.35 174.28 1wfj n VAL 17 N 6.08 0.00 -3.56 1.68 0.31 -0.89 0.17 118.33 122.12 1wfj n VAL 17 Ca 0.22 0.28 -0.03 0.00 -0.01 0.00 0.00 64.34 64.81 1wfj n VAL 17 Cb 0.49 -0.85 -0.00 0.00 -0.91 0.00 0.00 33.84 32.57 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 -0.32 -3.76 4.52 3.41 -1.14 0.39 113.62 116.72 1wfj n SER 18 Ca 0.00 -1.37 -0.13 0.00 -0.26 0.00 0.00 58.87 57.11 1wfj n SER 18 Cb 0.00 0.58 -0.11 0.00 -0.26 0.00 0.00 64.21 64.42 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 -1.69 -0.82 0.07 7.33 0.00 -0.80 0.14 121.76 126.00 1wfj s ALA 19 Ca 0.05 0.93 0.08 0.00 0.00 0.00 0.00 51.96 53.03 1wfj s ALA 19 Cb -0.00 -0.54 -0.03 0.00 0.00 0.00 0.00 23.12 22.55 1wfj s ALA 19 CO 0.04 -0.16 -0.22 0.15 0.00 0.00 0.00 175.76 175.57 1wfj s LYS 20 N 0.16 1.35 0.44 0.00 1.02 -0.54 -3.42 119.74 118.75 1wfj s LYS 20 Ca -0.00 -1.08 0.07 0.00 0.02 0.00 0.00 55.97 54.98 1wfj s LYS 20 Cb -0.02 -1.57 0.07 0.00 -0.52 0.00 0.00 37.83 35.78 1wfj s LYS 20 CO 0.01 0.39 0.59 0.41 -0.92 0.00 0.00 175.35 175.82 1wfj n GLY 21 N 1.48 2.00 0.00 -3.33 0.00 -1.24 -1.22 105.19 102.89 1wfj n GLY 21 Ca -0.18 -2.21 0.00 0.00 0.00 0.00 0.00 46.02 43.63 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 0.09 0.99 7.99 -1.24 -4.87 117.00 119.96 1wfj n LEU 22 Ca 0.12 0.00 -0.23 0.00 -0.01 0.00 0.00 56.01 55.88 1wfj n LEU 22 Cb 0.46 0.00 -0.15 0.00 -0.11 0.00 0.00 43.42 43.61 1wfj n LEU 22 CO 0.29 -0.71 -0.39 1.05 -1.51 0.00 0.00 177.39 176.13 1wfj h GLU 23 N 0.00 0.44 -2.29 3.23 4.11 -2.00 -3.37 114.58 114.70 1wfj h GLU 23 Ca 0.00 -0.75 -0.64 0.00 0.07 0.00 0.00 59.36 58.04 1wfj h GLU 23 Cb 0.00 0.28 -0.39 0.00 0.50 0.00 0.00 28.75 29.14 1wfj h GLU 23 CO 0.00 1.36 -0.27 -3.47 0.07 0.00 0.00 179.01 176.70 1wfj n ASP 24 N -3.70 5.03 -3.72 3.06 -0.08 -1.26 -4.98 116.55 110.90 1wfj n ASP 24 Ca -0.21 -3.66 -0.14 0.00 -1.51 0.00 0.00 54.79 49.27 1wfj n ASP 24 Cb 1.06 -0.71 -0.15 0.00 2.34 0.00 0.00 41.12 43.66 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 -3.52 -0.28 -0.31 -1.67 0.00 -1.26 -5.02 121.76 109.70 1wfj s ALA 25 Ca 0.46 0.69 -0.00 0.00 0.00 0.00 0.00 51.96 53.10 1wfj s ALA 25 Cb 0.24 -0.58 0.24 0.00 0.00 0.00 0.00 23.12 23.02 1wfj s ALA 25 CO -0.12 -0.28 1.91 -0.25 0.00 0.00 0.00 175.76 177.02 1wfj n ASP 26 N 4.53 5.91 -4.61 0.00 9.92 -1.26 -4.67 116.55 126.37 1wfj n ASP 26 Ca -0.20 -3.04 -0.43 0.00 -0.53 0.00 0.00 54.79 50.60 1wfj n ASP 26 Cb 0.51 -0.98 -0.03 0.00 -0.64 0.00 0.00 41.12 39.98 1wfj n ASP 26 CO 0.00 0.00 0.00 0.12 0.13 0.00 0.00 177.20 177.45 1wfj s PHE 27 N -1.85 3.10 -0.34 1.24 5.36 -1.26 -3.31 117.98 120.91 1wfj s PHE 27 Ca 0.31 0.86 -0.00 0.00 -0.96 0.00 0.00 56.93 57.14 1wfj s PHE 27 Cb 0.25 -3.64 0.00 0.00 -0.34 0.00 0.00 43.02 39.29 1wfj s PHE 27 CO 0.01 -0.80 0.03 1.28 -1.46 0.00 0.00 175.22 174.28 1wfj n LEU 28 N 6.77 -1.34 0.00 6.12 4.77 -1.26 -4.67 117.00 127.38 1wfj n LEU 28 Ca 0.08 -0.02 0.00 0.00 -0.03 0.00 0.00 56.01 56.04 1wfj n LEU 28 Cb 0.48 -0.99 0.00 0.00 -2.33 0.00 0.00 43.42 40.58 1wfj n LEU 28 CO 0.58 -0.02 0.00 -3.20 -1.33 0.00 0.00 177.39 173.42 1wfj n ASN 29 N 1.12 0.00 -4.26 -1.43 2.85 -1.21 -2.78 115.26 109.55 1wfj n ASN 29 Ca -0.04 0.00 -0.27 0.00 -0.11 0.00 0.00 54.58 54.16 1wfj n ASN 29 Cb 0.53 0.00 -0.10 0.00 1.24 0.00 0.00 39.78 41.45 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 0.00 1.79 -2.79 1.20 5.15 -1.26 -4.41 115.26 114.94 1wfj n ASN 30 Ca 0.00 -2.56 -0.11 0.00 -0.60 0.00 0.00 54.58 51.30 1wfj n ASN 30 Cb 0.00 -1.42 -0.01 0.00 -0.53 0.00 0.00 39.78 37.82 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 8.03 0.83 -3.48 1.20 0.00 -1.26 -5.10 117.12 117.34 1wfj n MET 31 Ca 0.44 -2.40 -0.27 0.00 0.00 0.00 0.00 57.70 55.47 1wfj n MET 31 Cb 0.45 2.57 -0.09 0.00 0.00 0.00 0.00 33.22 36.15 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 -1.58 2.35 -4.03 3.17 9.92 -1.26 -4.48 116.55 120.65 1wfj n ASP 32 Ca -0.03 -3.11 -0.30 0.00 -0.53 0.00 0.00 54.79 50.82 1wfj n ASP 32 Cb 0.55 -0.67 0.21 0.00 -0.64 0.00 0.00 41.12 40.57 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 -1.68 -0.19 -0.19 -0.24 0.04 -1.25 -1.82 135.00 129.67 1wfj s PRO 33 Ca 0.35 -0.21 -0.28 0.00 0.04 0.00 0.00 61.00 60.90 1wfj s PRO 33 Cb 0.10 -1.73 0.08 0.00 0.04 0.00 0.00 34.50 32.99 1wfj s PRO 33 CO -0.09 -3.00 0.76 1.52 0.04 0.00 0.00 177.00 176.23 1wfj s TYR 34 N -3.45 -0.68 0.03 0.56 1.13 -1.21 -0.44 117.35 113.30 1wfj s TYR 34 Ca 0.72 1.46 -0.16 0.00 -1.41 0.00 0.00 57.07 57.67 1wfj s TYR 34 Cb -0.07 0.34 -0.06 0.00 -1.10 0.00 0.00 41.96 41.07 1wfj s TYR 34 CO 0.54 -0.44 0.47 0.08 -2.51 0.00 0.00 175.55 173.70 1wfj s VAL 35 N -0.30 4.91 -0.33 -3.49 1.01 -1.26 -3.06 120.40 117.88 1wfj s VAL 35 Ca -0.04 0.98 0.02 0.00 0.00 0.00 0.00 61.98 62.95 1wfj s VAL 35 Cb -0.03 -3.78 0.10 0.00 0.00 0.00 0.00 36.38 32.67 1wfj s VAL 35 CO 0.03 0.57 0.07 -1.58 0.00 0.00 0.00 175.10 174.19 1wfj s GLN 36 N -1.11 1.14 0.43 2.72 0.74 -0.34 -2.33 119.66 120.91 1wfj s GLN 36 Ca 0.26 -1.52 -0.25 0.00 0.05 0.00 0.00 55.36 53.89 1wfj s GLN 36 Cb -0.18 -2.67 -0.08 0.00 1.10 0.00 0.00 33.01 31.18 1wfj s GLN 36 CO 0.16 -0.96 1.33 -0.51 -0.55 0.00 0.00 175.29 174.75 1wfj s LEU 37 N 1.22 4.15 -0.04 3.68 2.01 0.53 -3.06 118.68 127.17 1wfj s LEU 37 Ca 0.10 2.70 -0.02 0.00 0.01 0.00 0.00 54.13 56.93 1wfj s LEU 37 Cb -0.18 -3.96 0.03 0.00 0.01 0.00 0.00 46.19 42.09 1wfj s LEU 37 CO -0.16 -0.98 0.05 -0.89 1.01 0.00 0.00 176.35 175.39 1wfj s THR 38 N -1.27 -0.07 -0.41 5.49 2.01 0.18 -0.15 115.64 121.42 1wfj s THR 38 Ca 0.59 0.39 0.02 0.00 0.31 0.00 0.00 61.69 63.00 1wfj s THR 38 Cb -0.39 -0.17 0.13 0.00 0.01 0.00 0.00 72.50 72.08 1wfj s THR 38 CO 0.50 0.18 0.21 0.00 -0.69 0.00 0.00 174.62 174.82 1wfj n ARG 40 N 3.76 0.00 0.00 0.00 3.00 -1.26 0.41 116.66 122.57 1wfj n ARG 40 Ca 0.07 0.00 0.00 0.00 -0.01 0.00 0.00 57.85 57.91 1wfj n ARG 40 Cb 0.36 0.00 -0.00 0.00 0.00 0.00 0.00 32.46 32.82 1wfj n ARG 40 CO 0.00 0.00 0.00 0.25 0.00 0.00 0.00 177.63 177.88 1wfj n THR 41 N 0.00 0.00 -3.20 0.55 -2.24 -1.26 -4.97 114.28 103.16 1wfj n THR 41 Ca 0.00 -0.50 -0.41 0.00 -2.27 0.00 0.00 64.05 60.87 1wfj n THR 41 Cb 0.00 1.00 -0.07 0.00 -2.10 0.00 0.00 70.33 69.16 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 -0.53 3.67 -0.16 -0.78 -0.21 0.17 -5.04 119.66 116.78 1wfj s GLN 42 Ca 0.00 -0.06 0.01 0.00 0.02 0.00 0.00 55.36 55.33 1wfj s GLN 42 Cb 0.00 -3.80 0.02 0.00 1.00 0.00 0.00 33.01 30.23 1wfj s GLN 42 CO 0.01 -0.65 -0.17 0.16 -2.12 0.00 0.00 175.29 172.51 1wfj s ASP 43 N 1.75 2.91 -0.08 5.90 -4.77 -1.26 0.19 116.67 121.31 1wfj s ASP 43 Ca 0.21 -0.57 -0.00 0.00 -3.30 0.00 0.00 52.55 48.89 1wfj s ASP 43 Cb -0.15 -1.33 0.02 0.00 -1.09 0.00 0.00 42.92 40.37 1wfj s ASP 43 CO 0.13 -0.02 -0.05 -1.10 0.70 0.00 0.00 175.17 174.84 1wfj s GLN 44 N 1.33 1.11 0.20 2.11 -0.21 0.79 -4.96 119.66 120.03 1wfj s GLN 44 Ca 0.04 -0.12 0.10 0.00 0.02 0.00 0.00 55.36 55.40 1wfj s GLN 44 Cb -0.13 -1.24 -0.04 0.00 1.00 0.00 0.00 33.01 32.60 1wfj s GLN 44 CO -0.11 -0.22 -0.20 0.21 -2.12 0.00 0.00 175.29 172.84 1wfj s LYS 45 N 1.58 1.44 0.34 2.91 2.20 -1.26 0.20 119.74 127.16 1wfj s LYS 45 Ca 0.01 -1.53 0.08 0.00 -0.36 0.00 0.00 55.97 54.16 1wfj s LYS 45 Cb -0.13 -1.58 -0.04 0.00 -1.51 0.00 0.00 37.83 34.57 1wfj s LYS 45 CO -0.05 0.32 0.19 0.45 -0.36 0.00 0.00 175.35 175.90 1wfj s SER 46 N -2.88 4.85 1.00 1.43 0.15 -0.98 -4.99 113.70 112.27 1wfj s SER 46 Ca 0.21 -0.70 -0.14 0.00 0.70 0.00 0.00 55.95 56.01 1wfj s SER 46 Cb -0.06 -0.79 0.14 0.00 -1.71 0.00 0.00 66.02 63.61 1wfj s SER 46 CO 0.09 -0.32 0.21 0.59 1.20 0.00 0.00 173.24 175.01 1wfj n ASN 47 N -1.22 -2.91 -4.87 5.45 4.13 -1.26 -4.57 115.26 110.01 1wfj n ASN 47 Ca -0.03 -0.33 -0.33 0.00 1.68 0.00 0.00 54.58 55.57 1wfj n ASN 47 Cb 0.61 -0.77 -0.05 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 4.93 -1.08 2.41 -7.23 -1.26 -4.63 120.40 111.46 1wfj s VAL 48 Ca 0.37 0.52 -0.22 0.00 -1.81 0.00 0.00 61.98 60.85 1wfj s VAL 48 Cb -0.06 -3.64 0.06 0.00 0.56 0.00 0.00 36.38 33.30 1wfj s VAL 48 CO 0.37 0.01 1.49 0.00 -0.31 0.00 0.00 175.10 176.66 1wfj s ALA 49 N -1.73 2.90 0.15 1.32 0.00 0.42 -4.93 121.76 119.90 1wfj s ALA 49 Ca 0.45 -2.45 -0.30 0.00 0.00 0.00 0.00 51.96 49.65 1wfj s ALA 49 Cb -0.12 -4.52 -0.08 0.00 0.00 0.00 0.00 23.12 18.40 1wfj s ALA 49 CO 0.21 -3.50 1.31 -1.21 0.00 0.00 0.00 175.76 172.56 1wfj s GLU 50 N 4.63 4.38 -0.71 0.00 2.02 -1.26 -3.77 118.70 123.99 1wfj s GLU 50 Ca 0.47 2.00 -0.07 0.00 0.02 0.00 0.00 54.97 57.39 1wfj s GLU 50 Cb 0.01 -3.24 0.01 0.00 0.10 0.00 0.00 34.13 31.01 1wfj s GLU 50 CO -0.06 -0.29 0.47 0.41 0.02 0.00 0.00 175.26 175.81 1wfj n GLY 51 N 2.82 -0.90 0.02 -1.39 0.00 -1.26 -4.85 105.19 99.62 1wfj n GLY 51 Ca 0.08 0.41 -0.02 0.00 0.00 0.00 0.00 46.02 46.48 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 -2.67 2.55 0.00 1.61 1.56 -1.25 -5.13 117.12 113.79 1wfj n MET 52 Ca -0.21 0.01 0.00 0.00 -0.27 0.00 0.00 57.70 57.23 1wfj n MET 52 Cb 0.50 -1.10 0.00 0.00 2.15 0.00 0.00 33.22 34.77 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 2.88 -0.66 0.19 -5.12 0.00 -1.26 -4.14 105.19 97.07 1wfj n GLY 53 Ca -0.07 -1.78 0.01 0.00 0.00 0.00 0.00 46.02 44.19 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 0.13 -3.28 2.61 -2.24 -1.12 -4.11 114.28 106.27 1wfj n THR 54 Ca 0.00 -0.13 -0.25 0.00 -2.27 0.00 0.00 64.05 61.40 1wfj n THR 54 Cb 0.00 0.05 -0.08 0.00 -2.10 0.00 0.00 70.33 68.19 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 -0.21 -0.69 -2.24 4.28 -2.24 -1.26 -3.62 114.28 108.29 1wfj n THR 55 Ca 0.03 -3.89 -0.33 0.00 -2.27 0.00 0.00 64.05 57.59 1wfj n THR 55 Cb 0.09 -1.87 -0.01 0.00 -2.10 0.00 0.00 70.33 66.44 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 -0.83 3.54 0.02 -0.78 0.04 -1.22 -4.85 135.00 130.91 1wfj s PRO 56 Ca 0.34 1.23 -0.01 0.00 0.04 0.00 0.00 61.00 62.60 1wfj s PRO 56 Cb 0.12 -2.06 -0.02 0.00 0.04 0.00 0.00 34.50 32.58 1wfj s PRO 56 CO -0.14 -0.64 -0.00 -2.00 0.04 0.00 0.00 177.00 174.27 1wfj s GLU 57 N -3.80 0.36 0.04 4.56 2.12 -1.26 -1.90 118.70 118.82 1wfj s GLU 57 Ca 0.64 -0.62 0.00 0.00 0.36 0.00 0.00 54.97 55.35 1wfj s GLU 57 Cb -0.16 0.13 0.00 0.00 0.26 0.00 0.00 34.13 34.37 1wfj s GLU 57 CO 0.31 -0.07 0.00 0.91 -0.54 0.00 0.00 175.26 175.87 1wfj n TRP 58 N 1.46 -0.26 -2.90 5.30 8.01 0.16 -4.85 117.44 124.36 1wfj n TRP 58 Ca -0.23 0.05 -0.20 0.00 -1.31 0.00 0.00 57.50 55.80 1wfj n TRP 58 Cb 0.56 0.28 0.03 0.00 -2.01 0.00 0.00 31.31 30.16 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 -2.87 -5.72 -3.93 -0.99 3.02 0.44 -4.97 115.26 100.23 1wfj n ASN 59 Ca 0.00 -0.24 -0.19 0.00 -0.03 0.00 0.00 54.58 54.12 1wfj n ASN 59 Cb 0.19 -4.57 0.10 0.00 -0.61 0.00 0.00 39.78 34.90 1wfj n ASN 59 CO 0.00 0.00 0.00 -0.62 -2.62 0.00 0.00 177.26 174.02 1wfj n GLU 60 N -3.66 -0.08 -3.70 3.52 -0.58 -0.99 -4.87 120.64 110.29 1wfj n GLU 60 Ca -0.11 -2.07 -0.14 0.00 -0.42 0.00 0.00 57.16 54.41 1wfj n GLU 60 Cb 0.62 -0.59 -0.14 0.00 -0.57 0.00 0.00 31.44 30.76 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 -2.48 -0.20 -0.12 2.62 2.01 -1.25 -2.20 115.64 114.02 1wfj s THR 61 Ca 0.53 0.26 0.01 0.00 0.31 0.00 0.00 61.69 62.79 1wfj s THR 61 Cb -0.03 -0.33 0.02 0.00 0.01 0.00 0.00 72.50 72.17 1wfj s THR 61 CO 0.35 0.11 -0.12 -0.36 -0.69 0.00 0.00 174.62 173.91 1wfj s PHE 62 N 1.84 1.87 0.09 4.92 0.08 0.12 -4.94 117.98 121.97 1wfj s PHE 62 Ca -0.03 -0.97 -0.17 0.00 0.12 0.00 0.00 56.93 55.88 1wfj s PHE 62 Cb -0.12 -1.41 -0.07 0.00 -0.57 0.00 0.00 43.02 40.85 1wfj s PHE 62 CO -0.07 -0.56 0.55 0.42 -0.10 0.00 0.00 175.22 175.46 1wfj s ILE 63 N 1.40 4.80 -0.07 0.64 -1.09 -1.26 -0.50 121.20 125.12 1wfj s ILE 63 Ca 0.01 1.06 0.00 0.00 -2.23 0.00 0.00 60.65 59.50 1wfj s ILE 63 Cb -0.13 -3.83 0.02 0.00 -1.58 0.00 0.00 42.46 36.94 1wfj s ILE 63 CO -0.07 0.46 -0.06 -0.36 -1.23 0.00 0.00 174.94 173.68 1wfj s PHE 64 N -1.22 1.07 -0.07 3.97 0.08 0.97 -4.96 117.98 117.81 1wfj s PHE 64 Ca 0.31 -0.41 -0.30 0.00 0.12 0.00 0.00 56.93 56.66 1wfj s PHE 64 Cb -0.18 -0.93 -0.05 0.00 -0.57 0.00 0.00 43.02 41.29 1wfj s PHE 64 CO 0.18 -0.33 1.57 0.99 -0.10 0.00 0.00 175.22 177.54 1wfj s THR 65 N 1.32 3.70 0.07 0.64 2.01 -1.26 -0.77 115.64 121.35 1wfj s THR 65 Ca -0.04 0.87 -0.04 0.00 0.31 0.00 0.00 61.69 62.79 1wfj s THR 65 Cb -0.14 -3.56 -0.05 0.00 0.01 0.00 0.00 72.50 68.77 1wfj s THR 65 CO -0.03 -0.07 0.30 -0.69 -0.69 0.00 0.00 174.62 173.44 1wfj s VAL 66 N 3.84 5.27 -0.33 3.82 1.01 0.70 -4.94 120.40 129.77 1wfj s VAL 66 Ca 0.70 -0.02 -0.05 0.00 0.00 0.00 0.00 61.98 62.61 1wfj s VAL 66 Cb -0.31 -3.61 0.24 0.00 0.00 0.00 0.00 36.38 32.71 1wfj s VAL 66 CO 0.27 0.18 1.18 -0.24 0.00 0.00 0.00 175.10 176.49 1wfj n SER 67 N 0.51 -1.34 -1.32 3.32 2.88 -1.26 -3.45 113.62 112.96 1wfj n SER 67 Ca -0.06 -1.33 0.15 0.00 -1.33 0.00 0.00 58.87 56.30 1wfj n SER 67 Cb 0.52 0.70 -0.08 0.00 -0.75 0.00 0.00 64.21 64.60 1wfj n SER 67 CO 0.00 0.00 0.00 1.21 -1.23 0.00 0.00 175.04 175.02 1wfj n GLU 68 N 2.04 -2.85 0.00 -1.46 2.13 -1.26 -4.64 120.64 114.60 1wfj n GLU 68 Ca 0.06 2.31 0.00 0.00 0.66 0.00 0.00 57.16 60.19 1wfj n GLU 68 Cb 0.68 -3.42 0.00 0.00 0.27 0.00 0.00 31.44 28.97 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 -4.15 1.28 3.64 8.31 0.00 -1.26 -4.89 105.19 108.13 1wfj n GLY 69 Ca -0.08 -0.01 -0.43 0.00 0.00 0.00 0.00 46.02 45.51 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 3.47 0.00 2.61 2.01 -1.26 -4.76 115.64 117.70 1wfj s THR 70 Ca 0.00 0.54 0.00 0.00 0.31 0.00 0.00 61.69 62.54 1wfj s THR 70 Cb 0.00 -3.43 0.00 0.00 0.01 0.00 0.00 72.50 69.08 1wfj s THR 70 CO 0.00 -0.14 0.62 0.35 -0.69 0.00 0.00 174.62 174.76 1wfj n THR 71 N 6.14 0.00 -3.60 -0.82 -2.24 -1.26 -4.88 114.28 107.61 1wfj n THR 71 Ca 0.20 0.00 -0.06 0.00 -2.27 0.00 0.00 64.05 61.92 1wfj n THR 71 Cb 0.44 0.76 -0.04 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 0.35 0.03 -0.78 -1.05 -1.26 -2.00 118.70 114.00 1wfj s GLU 72 Ca 0.00 0.02 0.05 0.00 -0.15 0.00 0.00 54.97 54.89 1wfj s GLU 72 Cb 0.00 0.16 -0.03 0.00 -0.44 0.00 0.00 34.13 33.82 1wfj s GLU 72 CO 0.00 -0.12 -0.11 -1.17 0.95 0.00 0.00 175.26 174.81 1wfj s LEU 73 N -1.37 2.96 -0.17 1.83 2.96 0.98 -4.82 118.68 121.05 1wfj s LEU 73 Ca 0.05 -0.28 -0.04 0.00 -0.22 0.00 0.00 54.13 53.64 1wfj s LEU 73 Cb -0.01 -1.73 -0.02 0.00 0.50 0.00 0.00 46.19 44.93 1wfj s LEU 73 CO -0.04 0.25 -0.04 -0.54 -1.32 0.00 0.00 176.35 174.67 1wfj s LYS 74 N -1.56 3.60 -0.14 1.98 3.01 -0.16 -0.66 119.74 125.82 1wfj s LYS 74 Ca 0.17 -0.55 0.02 0.00 -1.01 0.00 0.00 55.97 54.60 1wfj s LYS 74 Cb -0.11 -2.94 0.02 0.00 -1.01 0.00 0.00 37.83 33.79 1wfj s LYS 74 CO 0.08 0.14 -0.18 0.00 0.51 0.00 0.00 175.35 175.90 1wfj s ALA 75 N 0.64 1.98 -0.01 5.17 0.00 -0.84 0.51 121.76 129.21 1wfj s ALA 75 Ca -0.02 -0.94 0.08 0.00 0.00 0.00 0.00 51.96 51.07 1wfj s ALA 75 Cb -0.14 -0.98 -0.02 0.00 0.00 0.00 0.00 23.12 21.98 1wfj s ALA 75 CO 0.02 -0.17 -0.24 0.15 0.00 0.00 0.00 175.76 175.52 1wfj s LYS 76 N 1.10 1.94 0.02 0.00 1.02 -1.17 -0.35 119.74 122.30 1wfj s LYS 76 Ca -0.02 -0.89 0.06 0.00 0.02 0.00 0.00 55.97 55.14 1wfj s LYS 76 Cb -0.14 -1.90 -0.03 0.00 -0.52 0.00 0.00 37.83 35.24 1wfj s LYS 76 CO -0.05 0.52 -0.16 0.42 -0.92 0.00 0.00 175.35 175.16 1wfj s ILE 77 N -0.60 2.97 0.00 2.17 1.09 0.16 -1.20 121.20 125.79 1wfj s ILE 77 Ca 0.09 -1.06 0.00 0.00 -1.10 0.00 0.00 60.65 58.59 1wfj s ILE 77 Cb -0.09 -2.25 0.00 0.00 -1.06 0.00 0.00 42.46 39.06 1wfj s ILE 77 CO -0.01 0.38 0.00 0.49 -0.10 0.00 0.00 174.94 175.70 1wfj n PHE 78 N 1.64 0.00 -5.23 3.97 3.01 -1.17 0.20 117.46 119.87 1wfj n PHE 78 Ca -0.16 0.00 -0.31 0.00 1.01 0.00 0.00 57.45 57.99 1wfj n PHE 78 Cb 0.52 0.00 -0.16 0.00 -0.01 0.00 0.00 39.48 39.83 1wfj n PHE 78 CO 0.00 0.00 0.00 0.34 1.01 0.00 0.00 176.76 178.11 1wfj s ASP 79 N 1.21 3.04 0.56 4.37 2.15 -1.26 -3.32 116.67 123.41 1wfj s ASP 79 Ca 0.00 -0.48 0.28 0.00 0.43 0.00 0.00 52.55 52.77 1wfj s ASP 79 Cb 0.00 -0.33 1.47 0.00 -0.30 0.00 0.00 42.92 43.76 1wfj s ASP 79 CO 0.00 0.31 1.96 0.07 -0.17 0.00 0.00 175.17 177.34 1wfj h LYS 80 N 5.39 0.00 0.00 4.34 2.10 -1.69 1.52 116.57 128.23 1wfj h LYS 80 Ca -0.43 0.00 -0.03 0.00 -2.00 0.00 0.00 60.65 58.19 1wfj h LYS 80 Cb 1.12 0.00 -0.00 0.00 -0.90 0.00 0.00 32.23 32.45 1wfj h LYS 80 CO 0.47 0.00 -0.14 -0.44 -2.00 0.00 0.00 179.45 177.34 1wfj h ASP 81 N 0.00 0.00 -5.14 7.07 3.32 -1.94 -3.44 116.42 116.29 1wfj h ASP 81 Ca 0.25 0.00 -0.42 0.00 0.02 0.00 0.00 57.03 56.88 1wfj h ASP 81 Cb 1.12 0.00 -0.04 0.00 0.22 0.00 0.00 39.33 40.64 1wfj h ASP 81 CO -0.00 0.14 -0.21 1.33 -1.72 0.00 0.00 179.24 178.78 1wfj n VAL 82 N -3.24 0.00 -4.24 -1.35 0.24 0.52 -5.15 118.33 105.11 1wfj n VAL 82 Ca 0.01 -1.58 -0.18 0.00 -2.04 0.00 0.00 64.34 60.56 1wfj n VAL 82 Cb 0.43 -0.13 -0.11 0.00 -1.47 0.00 0.00 33.84 32.56 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 -3.44 1.06 0.43 7.63 0.00 -1.26 -4.63 107.32 107.12 1wfj s GLY 83 Ca 0.21 -1.29 0.36 0.00 0.00 0.00 0.00 44.72 44.00 1wfj s GLY 83 CO 0.13 -1.36 1.35 -1.30 0.00 0.00 0.00 173.10 171.93 1wfj n THR 84 N 0.50 -0.10 -3.48 0.90 -2.24 -1.26 -1.32 114.28 107.27 1wfj n THR 84 Ca -0.15 1.42 -0.38 0.00 -2.27 0.00 0.00 64.05 62.66 1wfj n THR 84 Cb 0.57 -2.34 -0.04 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 -4.02 3.05 0.00 -0.78 0.28 -1.26 -4.64 120.64 113.27 1wfj n GLU 85 Ca 0.37 -4.50 0.00 0.00 -0.16 0.00 0.00 57.16 52.87 1wfj n GLU 85 Cb 1.57 -2.44 0.00 0.00 1.43 0.00 0.00 31.44 31.99 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 2.17 0.00 -3.27 -1.84 2.03 -0.44 -5.12 116.55 110.08 1wfj n ASP 86 Ca 0.23 0.00 0.03 0.00 0.52 0.00 0.00 54.79 55.57 1wfj n ASP 86 Cb 0.37 0.29 -0.02 0.00 -0.72 0.00 0.00 41.12 41.05 1wfj n ASP 86 CO 0.00 0.00 0.00 -1.81 -1.92 0.00 0.00 177.20 173.47 1wfj s ASP 87 N -0.31 -1.31 -0.33 1.67 1.01 -1.26 -5.05 116.67 111.10 1wfj s ASP 87 Ca 0.00 1.04 -0.21 0.00 0.71 0.00 0.00 52.55 54.09 1wfj s ASP 87 Cb 0.00 2.19 -0.00 0.00 1.01 0.00 0.00 42.92 46.12 1wfj s ASP 87 CO 0.00 -0.25 0.68 0.00 0.21 0.00 0.00 175.17 175.81 1wfj s ALA 88 N 2.87 3.49 0.55 5.23 0.00 -1.26 -4.44 121.76 128.21 1wfj s ALA 88 Ca 0.14 -0.68 0.35 0.00 0.00 0.00 0.00 51.96 51.77 1wfj s ALA 88 Cb -0.14 -3.19 1.50 0.00 0.00 0.00 0.00 23.12 21.29 1wfj s ALA 88 CO -0.20 -1.23 1.80 -0.39 0.00 0.00 0.00 175.76 175.73 1wfj h VAL 89 N 5.62 0.39 0.00 0.00 -1.51 0.19 -3.45 116.25 117.50 1wfj h VAL 89 Ca -0.26 0.00 0.00 0.00 -1.23 0.00 0.00 66.70 65.21 1wfj h VAL 89 Cb 1.11 0.43 0.00 0.00 -2.13 0.00 0.00 31.29 30.69 1wfj h VAL 89 CO 0.84 0.00 0.00 0.61 -1.23 0.00 0.00 177.57 177.79 1wfj n GLY 90 N -1.73 -0.45 3.45 5.19 0.00 -1.15 -4.77 105.19 105.74 1wfj n GLY 90 Ca 0.22 -1.00 -0.10 0.00 0.00 0.00 0.00 46.02 45.15 1wfj n GLY 90 CO 0.00 0.00 0.00 -1.83 0.00 0.00 0.00 173.32 171.49 1wfj s GLU 91 N -2.00 1.37 0.01 1.61 4.04 0.13 0.35 118.70 124.21 1wfj s GLU 91 Ca 0.00 -1.26 -0.10 0.00 0.04 0.00 0.00 54.97 53.65 1wfj s GLU 91 Cb 0.00 0.42 0.01 0.00 0.02 0.00 0.00 34.13 34.57 1wfj s GLU 91 CO 0.00 -0.54 0.20 0.00 -1.84 0.00 0.00 175.26 173.09 1wfj s ALA 92 N -4.02 -0.48 -0.32 -0.84 0.00 0.52 -0.46 121.76 116.17 1wfj s ALA 92 Ca 0.23 -0.02 -0.08 0.00 0.00 0.00 0.00 51.96 52.08 1wfj s ALA 92 Cb 0.02 0.14 0.02 0.00 0.00 0.00 0.00 23.12 23.29 1wfj s ALA 92 CO 0.06 -0.26 0.12 0.99 0.00 0.00 0.00 175.76 176.67 1wfj s THR 93 N -1.62 4.15 -0.44 0.00 2.01 -1.26 -1.99 115.64 116.49 1wfj s THR 93 Ca -0.12 -0.77 -0.08 0.00 0.31 0.00 0.00 61.69 61.03 1wfj s THR 93 Cb -0.06 -3.21 0.11 0.00 0.01 0.00 0.00 72.50 69.35 1wfj s THR 93 CO 0.01 -0.03 0.29 -0.63 -0.69 0.00 0.00 174.62 173.57 1wfj s ILE 94 N 1.51 4.01 0.26 1.82 1.01 0.17 -4.90 121.20 125.09 1wfj s ILE 94 Ca 0.02 -1.73 -0.30 0.00 0.00 0.00 0.00 60.65 58.64 1wfj s ILE 94 Cb -0.18 -3.61 -0.09 0.00 0.01 0.00 0.00 42.46 38.59 1wfj s ILE 94 CO 0.04 -0.68 1.09 -2.16 0.00 0.00 0.00 174.94 173.23 1wfj s PRO 95 N 1.33 4.65 0.00 2.79 0.04 -1.26 0.33 135.00 142.88 1wfj s PRO 95 Ca 0.05 1.77 0.22 0.00 0.04 0.00 0.00 61.00 63.08 1wfj s PRO 95 Cb -0.25 -3.21 0.53 0.00 0.04 0.00 0.00 34.50 31.62 1wfj s PRO 95 CO -0.01 0.22 1.46 1.28 0.04 0.00 0.00 177.00 179.99 1wfj n LEU 96 N 1.39 3.40 -0.23 -3.56 4.77 -0.85 -4.26 117.00 117.66 1wfj n LEU 96 Ca -0.01 -1.58 -0.08 0.00 -0.03 0.00 0.00 56.01 54.32 1wfj n LEU 96 Cb 0.45 -0.34 0.03 0.00 -2.33 0.00 0.00 43.42 41.24 1wfj n LEU 96 CO 0.54 0.79 0.96 -0.08 -1.33 0.00 0.00 177.39 178.26 1wfj h GLU 97 N 4.05 0.99 0.00 3.23 4.81 -1.92 0.59 114.58 126.33 1wfj h GLU 97 Ca 0.00 -0.21 -0.13 0.00 -0.13 0.00 0.00 59.36 58.89 1wfj h GLU 97 Cb 0.91 -0.14 -0.02 0.00 0.63 0.00 0.00 28.75 30.13 1wfj h GLU 97 CO 0.00 0.87 -0.64 -1.00 -0.73 0.00 0.00 179.01 177.51 1wfj h PRO 98 N 0.92 0.00 -0.00 0.92 0.13 -1.94 -2.60 132.00 129.42 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 0.29 0.00 0.00 0.00 0.13 0.00 0.00 31.00 31.42 1wfj h PRO 98 CO -0.01 0.64 -0.08 1.55 -0.23 0.00 0.00 178.00 179.87 1wfj n VAL 99 N -3.56 0.00 -0.04 1.56 3.14 -1.00 -0.65 118.33 117.78 1wfj n VAL 99 Ca -0.00 -0.07 0.03 0.00 -2.96 0.00 0.00 64.34 61.33 1wfj n VAL 99 Cb 0.68 -0.08 -0.17 0.00 -1.06 0.00 0.00 33.84 33.21 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 -0.83 0.00 -0.09 1.45 3.72 0.17 -2.95 117.46 118.93 1wfj n PHE 100 Ca 0.16 0.00 -0.10 0.00 -0.05 0.00 0.00 57.45 57.47 1wfj n PHE 100 Cb 0.26 -0.69 -0.13 0.00 -0.94 0.00 0.00 39.48 37.99 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 -2.45 1.17 0.06 -4.37 0.24 -1.01 -4.50 118.33 107.48 1wfj n VAL 101 Ca -0.15 -0.66 -0.18 0.00 -2.04 0.00 0.00 64.34 61.31 1wfj n VAL 101 Cb 0.79 -0.70 -0.14 0.00 -1.47 0.00 0.00 33.84 32.32 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 0.26 0.00 7.34 4.39 -1.10 -3.48 114.58 121.99 1wfj h GLU 102 Ca -0.46 -0.45 0.00 0.00 0.34 0.00 0.00 59.36 58.79 1wfj h GLU 102 Cb 1.98 0.17 0.00 0.00 -0.10 0.00 0.00 28.75 30.80 1wfj h GLU 102 CO 0.00 1.13 0.00 0.41 -1.16 0.00 0.00 179.01 179.39 1wfj n GLY 103 N 1.70 1.46 3.41 -3.84 0.00 -1.15 -4.94 105.19 101.83 1wfj n GLY 103 Ca -0.18 0.00 0.02 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 -3.00 -0.31 -0.06 1.61 1.04 -1.26 -2.44 113.70 109.28 1wfj s SER 104 Ca 0.00 0.45 0.02 0.00 0.48 0.00 0.00 55.95 56.89 1wfj s SER 104 Cb 0.00 1.29 -0.03 0.00 0.10 0.00 0.00 66.02 67.38 1wfj s SER 104 CO 0.00 -0.07 -0.09 -0.63 0.98 0.00 0.00 173.24 173.43 1wfj s ILE 105 N 1.91 3.52 0.92 -1.02 -1.09 0.18 -4.93 121.20 120.69 1wfj s ILE 105 Ca -0.03 -0.55 -0.13 0.00 -2.23 0.00 0.00 60.65 57.71 1wfj s ILE 105 Cb -0.03 -2.42 0.14 0.00 -1.58 0.00 0.00 42.46 38.57 1wfj s ILE 105 CO -0.15 0.60 1.14 -2.16 -1.23 0.00 0.00 174.94 173.13 1wfj s PRO 106 N -0.77 1.08 -0.64 2.79 0.04 -1.26 -2.24 135.00 134.00 1wfj s PRO 106 Ca 0.12 0.26 -0.27 0.00 0.04 0.00 0.00 61.00 61.15 1wfj s PRO 106 Cb -0.11 -1.84 0.01 0.00 0.04 0.00 0.00 34.50 32.60 1wfj s PRO 106 CO 0.01 -2.23 1.54 -1.25 0.04 0.00 0.00 177.00 175.11 1wfj s PRO 107 N -5.30 3.01 0.12 0.56 0.04 -1.26 -4.36 135.00 127.81 1wfj s PRO 107 Ca 0.64 0.30 0.09 0.00 0.04 0.00 0.00 61.00 62.07 1wfj s PRO 107 Cb -0.14 -4.24 -0.04 0.00 0.04 0.00 0.00 34.50 30.11 1wfj s PRO 107 CO 0.53 -2.30 -0.18 0.99 0.04 0.00 0.00 177.00 176.08 1wfj s THR 108 N 7.09 2.84 -0.59 1.26 2.01 -1.03 -4.74 115.64 122.48 1wfj s THR 108 Ca 0.53 -1.51 -0.26 0.00 0.31 0.00 0.00 61.69 60.75 1wfj s THR 108 Cb -0.11 -2.31 0.04 0.00 0.01 0.00 0.00 72.50 70.13 1wfj s THR 108 CO 0.20 0.09 1.08 0.00 -0.69 0.00 0.00 174.62 175.30 1wfj s ALA 109 N -1.16 3.05 0.14 7.40 0.00 -1.25 -1.60 121.76 128.35 1wfj s ALA 109 Ca 0.18 -1.11 -0.28 0.00 0.00 0.00 0.00 51.96 50.76 1wfj s ALA 109 Cb -0.11 -3.92 -0.07 0.00 0.00 0.00 0.00 23.12 19.03 1wfj s ALA 109 CO 0.10 -2.60 0.87 0.71 0.00 0.00 0.00 175.76 174.84 1wfj s TYR 110 N 4.54 3.87 0.06 0.00 2.02 0.47 -4.52 117.35 123.78 1wfj s TYR 110 Ca 0.36 1.72 -0.36 0.00 -0.37 0.00 0.00 57.07 58.42 1wfj s TYR 110 Cb -0.10 -2.92 -0.15 0.00 -0.40 0.00 0.00 41.96 38.39 1wfj s TYR 110 CO 0.21 0.36 1.52 0.09 -1.57 0.00 0.00 175.55 176.16 1wfj n ASN 111 N 2.16 2.42 -4.21 2.29 4.13 -1.26 0.65 115.26 121.43 1wfj n ASN 111 Ca -0.02 1.09 -0.36 0.00 1.68 0.00 0.00 54.58 56.97 1wfj n ASN 111 Cb 0.49 -1.29 -0.13 0.00 -1.54 0.00 0.00 39.78 37.31 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 1.32 3.26 0.45 2.41 1.01 0.38 -4.21 120.40 125.02 1wfj s VAL 112 Ca 0.85 -1.25 0.07 0.00 0.00 0.00 0.00 61.98 61.65 1wfj s VAL 112 Cb -0.84 -2.84 -0.01 0.00 0.00 0.00 0.00 36.38 32.68 1wfj s VAL 112 CO 0.46 -0.10 0.37 0.68 0.00 0.00 0.00 175.10 176.51 1wfj s VAL 113 N 1.31 2.36 -0.36 2.92 -7.23 0.39 0.19 120.40 119.98 1wfj s VAL 113 Ca -0.04 -1.41 0.02 0.00 -1.81 0.00 0.00 61.98 58.74 1wfj s VAL 113 Cb -0.19 -2.77 0.15 0.00 0.56 0.00 0.00 36.38 34.13 1wfj s VAL 113 CO 0.00 0.00 0.35 -0.75 -0.31 0.00 0.00 175.10 174.39 1wfj s LYS 114 N -4.15 0.61 0.00 4.82 2.47 0.34 0.22 119.74 124.05 1wfj s LYS 114 Ca 0.44 -0.89 0.00 0.00 -1.56 0.00 0.00 55.97 53.96 1wfj s LYS 114 Cb -0.02 -0.80 0.00 0.00 -1.46 0.00 0.00 37.83 35.55 1wfj s LYS 114 CO 0.26 -1.19 0.00 -3.47 0.16 0.00 0.00 175.35 171.11 1wfj n ASP 115 N 4.27 0.00 0.00 1.43 -0.08 -1.26 -3.26 116.55 117.65 1wfj n ASP 115 Ca 0.11 0.00 0.00 0.00 -1.51 0.00 0.00 54.79 53.39 1wfj n ASP 115 Cb 0.44 0.00 0.00 0.00 2.34 0.00 0.00 41.12 43.90 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 -3.01 -0.67 0.28 -1.26 -5.14 120.64 109.95 1wfj n GLU 116 Ca 0.00 0.00 -0.31 0.00 -0.16 0.00 0.00 57.16 56.69 1wfj n GLU 116 Cb 0.00 0.00 -0.04 0.00 1.43 0.00 0.00 31.44 32.83 1wfj n GLU 116 CO 0.00 0.00 0.00 -1.21 -0.16 0.00 0.00 177.13 175.76 1wfj s GLU 117 N 0.00 3.83 -0.12 3.44 0.41 -1.20 -5.00 118.70 120.07 1wfj s GLU 117 Ca 0.00 0.47 -0.23 0.00 -0.41 0.00 0.00 54.97 54.80 1wfj s GLU 117 Cb 0.00 -2.44 -0.03 0.00 -1.78 0.00 0.00 34.13 29.88 1wfj s GLU 117 CO 0.00 0.06 0.72 -0.47 -0.49 0.00 0.00 175.26 175.08 1wfj s TYR 118 N -2.21 3.50 -0.20 1.61 5.04 -1.26 0.13 117.35 123.96 1wfj s TYR 118 Ca 0.51 1.19 0.14 0.00 -2.44 0.00 0.00 57.07 56.48 1wfj s TYR 118 Cb -0.10 -2.86 -0.23 0.00 0.35 0.00 0.00 41.96 39.12 1wfj s TYR 118 CO 0.27 -0.04 0.01 1.63 -1.34 0.00 0.00 175.55 176.08 1wfj n LYS 119 N 4.37 0.78 0.00 4.97 4.76 0.51 -4.91 118.16 128.64 1wfj n LYS 119 Ca 0.00 0.02 0.00 0.00 -2.87 0.00 0.00 58.31 55.46 1wfj n LYS 119 Cb 0.50 -1.50 0.00 0.00 -1.84 0.00 0.00 35.03 32.19 1wfj n LYS 119 CO 0.00 0.00 0.00 0.41 -1.37 0.00 0.00 177.40 176.44 1wfj n GLY 120 N 1.89 -0.52 3.07 0.72 0.00 -0.64 -3.60 105.19 106.11 1wfj n GLY 120 Ca -0.34 -0.50 -0.14 0.00 0.00 0.00 0.00 46.02 45.04 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 -1.89 0.56 -0.17 1.61 -1.05 -0.36 0.14 118.70 117.55 1wfj s GLU 121 Ca 0.00 -0.75 0.01 0.00 -0.15 0.00 0.00 54.97 54.08 1wfj s GLU 121 Cb 0.00 -0.37 0.01 0.00 -0.44 0.00 0.00 34.13 33.33 1wfj s GLU 121 CO 0.00 0.07 -0.19 -1.50 0.95 0.00 0.00 175.26 174.59 1wfj s ILE 122 N -1.29 2.20 -0.21 1.83 2.07 0.21 -1.47 121.20 124.53 1wfj s ILE 122 Ca -0.08 -0.91 -0.26 0.00 -1.41 0.00 0.00 60.65 57.99 1wfj s ILE 122 Cb -0.10 -1.92 -0.01 0.00 0.13 0.00 0.00 42.46 40.57 1wfj s ILE 122 CO 0.01 0.53 0.87 0.26 -1.91 0.00 0.00 174.94 174.70 1wfj s TRP 123 N 1.14 3.36 -0.16 3.50 0.52 0.37 0.18 118.94 127.85 1wfj s TRP 123 Ca 0.01 1.25 -0.17 0.00 0.02 0.00 0.00 56.10 57.21 1wfj s TRP 123 Cb -0.14 -3.08 0.04 0.00 -1.15 0.00 0.00 33.47 29.15 1wfj s TRP 123 CO -0.08 -0.35 0.47 0.08 0.02 0.00 0.00 176.95 177.08 1wfj s VAL 124 N 2.63 0.01 -0.00 4.03 1.01 -0.63 -2.09 120.40 125.36 1wfj s VAL 124 Ca 0.38 -0.04 0.05 0.00 0.00 0.00 0.00 61.98 62.37 1wfj s VAL 124 Cb -0.16 -0.67 -0.03 0.00 0.00 0.00 0.00 36.38 35.52 1wfj s VAL 124 CO 0.09 -0.02 -0.15 0.00 0.00 0.00 0.00 175.10 175.02 1wfj s ALA 125 N 0.04 2.67 0.15 5.51 0.00 0.83 -2.46 121.76 128.50 1wfj s ALA 125 Ca -0.02 -1.08 0.11 0.00 0.00 0.00 0.00 51.96 50.97 1wfj s ALA 125 Cb -0.03 -0.88 -0.04 0.00 0.00 0.00 0.00 23.12 22.17 1wfj s ALA 125 CO 0.01 0.57 -0.25 -0.51 0.00 0.00 0.00 175.76 175.58 1wfj s LEU 126 N -1.14 2.39 -0.22 0.00 1.43 -0.95 0.12 118.68 120.31 1wfj s LEU 126 Ca 0.14 -0.78 -0.04 0.00 -1.03 0.00 0.00 54.13 52.42 1wfj s LEU 126 Cb -0.11 -1.22 0.11 0.00 0.03 0.00 0.00 46.19 45.01 1wfj s LEU 126 CO 0.04 0.16 0.35 -0.55 0.23 0.00 0.00 176.35 176.57 1wfj s SER 127 N -2.30 0.35 0.10 2.29 0.15 -0.87 0.52 113.70 113.94 1wfj s SER 127 Ca 0.17 0.30 -0.13 0.00 0.70 0.00 0.00 55.95 56.99 1wfj s SER 127 Cb -0.09 1.00 -0.06 0.00 -1.71 0.00 0.00 66.02 65.16 1wfj s SER 127 CO 0.08 -0.29 0.48 0.12 1.20 0.00 0.00 173.24 174.83 1wfj s PHE 128 N 2.51 3.62 -0.40 3.44 5.36 -1.02 0.17 117.98 131.66 1wfj s PHE 128 Ca 0.09 0.97 0.01 0.00 -0.96 0.00 0.00 56.93 57.04 1wfj s PHE 128 Cb -0.15 -2.29 0.14 0.00 -0.34 0.00 0.00 43.02 40.38 1wfj s PHE 128 CO -0.14 0.49 0.22 0.15 -1.46 0.00 0.00 175.22 174.48 1wfj s LYS 129 N -1.79 0.97 0.12 10.12 1.02 0.27 -4.68 119.74 125.77 1wfj s LYS 129 Ca 0.34 -1.70 -0.30 0.00 0.02 0.00 0.00 55.97 54.33 1wfj s LYS 129 Cb -0.15 -1.91 -0.07 0.00 -0.52 0.00 0.00 37.83 35.19 1wfj s LYS 129 CO 0.18 -1.17 1.14 -1.25 -0.92 0.00 0.00 175.35 173.33 1wfj s PRO 130 N 0.69 4.52 -0.83 -1.68 0.04 -1.26 -0.94 135.00 135.54 1wfj s PRO 130 Ca 0.17 1.73 -0.26 0.00 0.04 0.00 0.00 61.00 62.69 1wfj s PRO 130 Cb -0.24 -3.31 -0.15 0.00 0.04 0.00 0.00 34.50 30.84 1wfj s PRO 130 CO -0.00 -0.08 2.37 0.45 0.04 0.00 0.00 177.00 179.78 1wfj s SER 131 N 0.46 3.78 0.39 6.66 0.15 -1.22 -4.87 113.70 119.05 1wfj s SER 131 Ca 0.54 -0.09 0.06 0.00 0.70 0.00 0.00 55.95 57.15 1wfj s SER 131 Cb -0.29 -2.56 -0.07 0.00 -1.71 0.00 0.00 66.02 61.39 1wfj s SER 131 CO 0.32 -4.05 0.02 -0.83 1.20 0.00 0.00 173.24 169.90 1wfj s GLY 132 N 10.58 2.42 -1.20 9.45 0.00 -1.26 -5.04 107.32 122.27 1wfj s GLY 132 Ca 0.91 -2.20 -0.20 0.00 0.00 0.00 0.00 44.72 43.23 1wfj s GLY 132 CO 0.10 -2.03 1.91 -1.55 0.00 0.00 0.00 173.10 171.52 1wfj n PRO 133 N -0.91 2.32 0.18 2.90 -0.04 -1.26 -3.57 135.00 134.63 1wfj n PRO 133 Ca -0.05 -2.66 0.00 0.00 -0.04 0.00 0.00 63.50 60.75 1wfj n PRO 133 Cb 0.67 -3.45 0.00 0.00 -0.04 0.00 0.00 33.50 30.68 1wfj n PRO 133 CO 0.00 0.00 0.00 0.45 -0.04 0.00 0.00 175.50 175.91 1wfj n SER 134 N 9.90 -3.27 -4.62 3.54 2.88 -1.26 -5.12 113.62 115.67 1wfj n SER 134 Ca 0.48 0.82 -0.49 0.00 -1.33 0.00 0.00 58.87 58.35 1wfj n SER 134 Cb 0.44 3.15 -0.05 0.00 -0.75 0.00 0.00 64.21 67.00 1wfj n SER 134 CO 0.00 0.00 0.00 -1.54 -1.23 0.00 0.00 175.04 172.27 1wfj n SER 135 N -3.34 2.03 0.00 -3.46 3.41 -1.23 -5.26 113.62 105.76 1wfj n SER 135 Ca 0.00 1.12 0.00 0.00 -0.26 0.00 0.00 58.87 59.73 1wfj n SER 135 Cb 0.00 -1.28 0.00 0.00 -0.26 0.00 0.00 64.21 62.67 1wfj n SER 135 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49