#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 0.95 0.24 1.61 0.01 -1.26 -5.15 113.70 110.11 1wfj s SER 2 Ca 0.00 -0.13 0.09 0.00 1.31 0.00 0.00 55.95 57.22 1wfj s SER 2 Cb 0.00 -0.44 -0.04 0.00 0.21 0.00 0.00 66.02 65.74 1wfj s SER 2 CO 0.00 -0.06 -0.01 -0.44 0.41 0.00 0.00 173.24 173.15 1wfj s SER 3 N 0.94 4.59 0.22 2.44 0.01 -1.26 -5.14 113.70 115.50 1wfj s SER 3 Ca -0.11 -0.58 0.06 0.00 1.31 0.00 0.00 55.95 56.64 1wfj s SER 3 Cb -0.14 -0.88 -0.05 0.00 0.21 0.00 0.00 66.02 65.15 1wfj s SER 3 CO -0.00 0.03 -0.09 -0.83 0.41 0.00 0.00 173.24 172.76 1wfj s GLY 4 N -3.46 1.49 -0.19 3.44 0.00 -1.26 -5.14 107.32 102.21 1wfj s GLY 4 Ca 0.30 -1.71 -0.05 0.00 0.00 0.00 0.00 44.72 43.26 1wfj s GLY 4 CO 0.19 -1.73 0.13 -1.35 0.00 0.00 0.00 173.10 170.34 1wfj s SER 5 N -3.32 2.11 0.00 1.64 1.04 -1.26 -5.12 113.70 108.79 1wfj s SER 5 Ca 0.24 -0.54 0.00 0.00 0.48 0.00 0.00 55.95 56.14 1wfj s SER 5 Cb 0.02 -0.05 0.00 0.00 0.10 0.00 0.00 66.02 66.09 1wfj s SER 5 CO 0.07 -0.35 0.00 -0.24 0.98 0.00 0.00 173.24 173.70 1wfj n SER 6 N 5.29 0.00 0.00 7.02 2.88 -1.26 -5.19 113.62 122.36 1wfj n SER 6 Ca -0.06 0.00 0.00 0.00 -1.33 0.00 0.00 58.87 57.48 1wfj n SER 6 Cb 0.49 0.00 0.00 0.00 -0.75 0.00 0.00 64.21 63.95 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 -0.11 -1.24 3.40 0.46 0.00 -1.26 -5.08 105.19 101.34 1wfj n GLY 7 Ca 0.00 -0.89 -0.27 0.00 0.00 0.00 0.00 46.02 44.86 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 -0.02 -2.07 -3.64 1.61 -0.04 -1.26 -5.10 135.00 124.48 1wfj n PRO 8 Ca 0.00 -1.76 -0.04 0.00 -0.04 0.00 0.00 63.50 61.66 1wfj n PRO 8 Cb 0.00 -1.38 -0.07 0.00 -0.04 0.00 0.00 33.50 32.01 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 -3.27 -0.72 0.00 0.54 -3.43 -1.26 -4.60 115.29 102.56 1wfj s HIS 9 Ca 0.68 1.45 0.00 0.00 -0.80 0.00 0.00 55.06 56.38 1wfj s HIS 9 Cb -0.04 0.43 0.00 0.00 -1.43 0.00 0.00 32.58 31.54 1wfj s HIS 9 CO 0.49 -0.36 0.00 0.41 -2.00 0.00 0.00 174.74 173.29 1wfj n GLY 10 N 3.83 -0.54 3.12 -1.38 0.00 -1.24 -3.70 105.19 105.28 1wfj n GLY 10 Ca -0.19 -0.29 -0.20 0.00 0.00 0.00 0.00 46.02 45.34 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 -2.74 1.06 -0.01 2.61 2.01 -0.57 -2.54 115.64 115.46 1wfj s THR 11 Ca 0.00 -0.82 0.00 0.00 0.31 0.00 0.00 61.69 61.19 1wfj s THR 11 Cb 0.00 -0.94 -0.04 0.00 0.01 0.00 0.00 72.50 71.54 1wfj s THR 11 CO 0.00 0.11 0.03 -0.22 -0.69 0.00 0.00 174.62 173.86 1wfj s LEU 12 N -0.81 3.67 -0.30 4.42 1.98 -0.13 0.93 118.68 128.45 1wfj s LEU 12 Ca 0.03 0.06 0.01 0.00 -2.89 0.00 0.00 54.13 51.34 1wfj s LEU 12 Cb -0.07 -2.10 0.09 0.00 0.66 0.00 0.00 46.19 44.77 1wfj s LEU 12 CO 0.01 0.28 0.05 -0.70 -1.89 0.00 0.00 176.35 174.10 1wfj s GLU 13 N -1.59 1.11 -0.17 1.98 2.12 -1.09 -1.51 118.70 119.56 1wfj s GLU 13 Ca 0.20 -1.29 -0.21 0.00 0.36 0.00 0.00 54.97 54.04 1wfj s GLU 13 Cb -0.12 -2.48 -0.03 0.00 0.26 0.00 0.00 34.13 31.76 1wfj s GLU 13 CO 0.11 -0.89 0.62 0.08 -0.54 0.00 0.00 175.26 174.64 1wfj s VAL 14 N 1.36 5.05 -0.58 3.70 1.01 0.41 0.06 120.40 131.40 1wfj s VAL 14 Ca 0.07 1.19 -0.01 0.00 0.00 0.00 0.00 61.98 63.23 1wfj s VAL 14 Cb -0.18 -3.94 0.15 0.00 0.00 0.00 0.00 36.38 32.41 1wfj s VAL 14 CO -0.16 0.16 0.38 -0.69 0.00 0.00 0.00 175.10 174.79 1wfj s VAL 15 N 1.60 3.43 -0.86 2.92 1.01 0.45 0.12 120.40 129.07 1wfj s VAL 15 Ca 0.29 -2.94 -0.25 0.00 0.00 0.00 0.00 61.98 59.09 1wfj s VAL 15 Cb -0.16 -3.27 -0.04 0.00 0.00 0.00 0.00 36.38 32.91 1wfj s VAL 15 CO 0.11 -0.84 1.93 -0.22 0.00 0.00 0.00 175.10 176.09 1wfj s LEU 16 N 0.02 3.19 0.00 3.92 2.96 -1.10 -1.84 118.68 125.82 1wfj s LEU 16 Ca 0.16 -0.53 0.00 0.00 -0.22 0.00 0.00 54.13 53.54 1wfj s LEU 16 Cb -0.21 -2.56 0.00 0.00 0.50 0.00 0.00 46.19 43.92 1wfj s LEU 16 CO -0.03 -2.68 0.15 0.52 -1.32 0.00 0.00 176.35 172.99 1wfj n VAL 17 N 7.78 0.00 -2.88 1.68 0.31 -1.05 0.29 118.33 124.46 1wfj n VAL 17 Ca 0.37 0.47 0.00 0.00 -0.01 0.00 0.00 64.34 65.17 1wfj n VAL 17 Cb 0.48 -1.10 0.00 0.00 -0.91 0.00 0.00 33.84 32.31 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 -0.24 0.00 -3.66 4.52 3.41 -1.04 -0.36 113.62 116.25 1wfj n SER 18 Ca 0.00 -0.76 -0.14 0.00 -0.26 0.00 0.00 58.87 57.70 1wfj n SER 18 Cb 0.00 0.00 -0.08 0.00 -0.26 0.00 0.00 64.21 63.87 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 -1.11 -1.43 0.07 7.33 0.00 -1.12 0.16 121.76 125.66 1wfj s ALA 19 Ca 0.00 1.47 0.03 0.00 0.00 0.00 0.00 51.96 53.46 1wfj s ALA 19 Cb 0.00 -0.72 -0.03 0.00 0.00 0.00 0.00 23.12 22.37 1wfj s ALA 19 CO 0.00 -0.29 -0.09 0.15 0.00 0.00 0.00 175.76 175.53 1wfj s LYS 20 N -0.06 0.72 0.27 0.00 1.02 -0.67 -3.28 119.74 117.73 1wfj s LYS 20 Ca -0.03 -1.01 0.04 0.00 0.02 0.00 0.00 55.97 55.00 1wfj s LYS 20 Cb -0.04 -0.42 0.04 0.00 -0.52 0.00 0.00 37.83 36.90 1wfj s LYS 20 CO 0.02 0.06 0.37 0.41 -0.92 0.00 0.00 175.35 175.30 1wfj n GLY 21 N 0.90 1.95 3.78 -3.33 0.00 -1.24 -1.67 105.19 105.57 1wfj n GLY 21 Ca -0.19 -2.18 -0.30 0.00 0.00 0.00 0.00 46.02 43.36 1wfj n GLY 21 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1wfj s LEU 22 N 0.00 2.49 0.21 0.99 2.01 -1.26 -4.86 118.68 118.26 1wfj s LEU 22 Ca 0.28 1.36 -0.16 0.00 0.01 0.00 0.00 54.13 55.62 1wfj s LEU 22 Cb -0.02 -3.91 0.21 0.00 0.01 0.00 0.00 46.19 42.48 1wfj s LEU 22 CO 0.18 -2.18 1.60 1.05 1.01 0.00 0.00 176.35 178.01 1wfj h GLU 23 N -1.23 -0.07 -2.21 1.70 4.11 -1.99 -2.70 114.58 112.19 1wfj h GLU 23 Ca -0.48 0.00 -0.60 0.00 0.07 0.00 0.00 59.36 58.36 1wfj h GLU 23 Cb 1.27 0.02 -0.42 0.00 0.50 0.00 0.00 28.75 30.12 1wfj h GLU 23 CO 0.58 -0.05 -0.61 -3.47 0.07 0.00 0.00 179.01 175.53 1wfj n ASP 24 N -5.45 3.87 -3.76 3.06 2.03 -1.26 -5.01 116.55 110.03 1wfj n ASP 24 Ca 0.07 -3.49 -0.23 0.00 0.52 0.00 0.00 54.79 51.65 1wfj n ASP 24 Cb 0.35 -0.64 -0.17 0.00 -0.72 0.00 0.00 41.12 39.94 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 -2.70 0.70 -1.32 -1.67 0.00 -1.02 -5.05 121.76 110.70 1wfj s ALA 25 Ca 0.42 -0.16 -0.17 0.00 0.00 0.00 0.00 51.96 52.05 1wfj s ALA 25 Cb 0.18 -0.78 0.02 0.00 0.00 0.00 0.00 23.12 22.54 1wfj s ALA 25 CO -0.04 -0.53 2.01 -3.47 0.00 0.00 0.00 175.76 173.73 1wfj n ASP 26 N 5.15 4.06 -3.99 0.00 2.03 -1.26 -4.52 116.55 118.02 1wfj n ASP 26 Ca -0.07 -2.84 -0.29 0.00 0.52 0.00 0.00 54.79 52.10 1wfj n ASP 26 Cb 0.50 -1.64 -0.16 0.00 -0.72 0.00 0.00 41.12 39.09 1wfj n ASP 26 CO 0.00 0.00 0.00 0.12 -1.92 0.00 0.00 177.20 175.40 1wfj s PHE 27 N 4.21 2.06 -0.39 -0.67 5.36 -1.26 -4.68 117.98 122.62 1wfj s PHE 27 Ca 0.52 -1.18 -0.01 0.00 -0.96 0.00 0.00 56.93 55.30 1wfj s PHE 27 Cb 0.10 -1.52 0.00 0.00 -0.34 0.00 0.00 43.02 41.25 1wfj s PHE 27 CO 0.00 -0.65 0.09 1.28 -1.46 0.00 0.00 175.22 174.48 1wfj n LEU 28 N 4.80 -1.57 0.00 6.12 4.77 -1.26 -4.52 117.00 125.34 1wfj n LEU 28 Ca -0.16 -0.04 0.00 0.00 -0.03 0.00 0.00 56.01 55.78 1wfj n LEU 28 Cb 0.49 -1.08 0.00 0.00 -2.33 0.00 0.00 43.42 40.51 1wfj n LEU 28 CO 0.20 0.01 0.00 -3.20 -1.33 0.00 0.00 177.39 173.07 1wfj n ASN 29 N 0.87 0.00 -3.83 -1.43 2.85 -1.26 -1.19 115.26 111.27 1wfj n ASN 29 Ca -0.04 0.00 -0.39 0.00 -0.11 0.00 0.00 54.58 54.04 1wfj n ASN 29 Cb 0.53 0.00 -0.08 0.00 1.24 0.00 0.00 39.78 41.47 1wfj n ASN 29 CO 0.00 0.00 0.00 0.59 -2.11 0.00 0.00 177.26 175.74 1wfj n ASN 30 N 0.00 2.09 -1.66 1.20 4.13 -1.26 -4.34 115.26 115.42 1wfj n ASN 30 Ca 0.00 -2.62 -0.05 0.00 1.68 0.00 0.00 54.58 53.59 1wfj n ASN 30 Cb 0.00 -1.10 -0.02 0.00 -1.54 0.00 0.00 39.78 37.12 1wfj n ASN 30 CO 0.00 0.00 0.00 1.15 0.28 0.00 0.00 177.26 178.69 1wfj n MET 31 N 7.59 0.18 -3.40 3.52 0.00 -1.26 -4.97 117.12 118.77 1wfj n MET 31 Ca 0.47 -0.96 -0.26 0.00 0.00 0.00 0.00 57.70 56.95 1wfj n MET 31 Cb 0.42 0.86 -0.08 0.00 0.00 0.00 0.00 33.22 34.42 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 -2.25 2.58 -4.80 3.17 9.92 -1.26 -2.38 116.55 121.53 1wfj n ASP 32 Ca 0.01 -3.18 -0.34 0.00 -0.53 0.00 0.00 54.79 50.75 1wfj n ASP 32 Cb 0.19 -0.67 -0.03 0.00 -0.64 0.00 0.00 41.12 39.98 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 -1.94 3.72 -0.13 -0.24 0.04 -1.25 -0.61 135.00 134.59 1wfj s PRO 33 Ca 0.37 1.32 -0.09 0.00 0.04 0.00 0.00 61.00 62.64 1wfj s PRO 33 Cb 0.13 -2.08 0.04 0.00 0.04 0.00 0.00 34.50 32.63 1wfj s PRO 33 CO -0.06 -0.49 0.33 1.52 0.04 0.00 0.00 177.00 178.34 1wfj s TYR 34 N -2.08 -0.42 0.18 0.56 1.13 -1.14 -2.92 117.35 112.66 1wfj s TYR 34 Ca 0.66 0.97 -0.10 0.00 -1.41 0.00 0.00 57.07 57.19 1wfj s TYR 34 Cb -0.16 0.14 -0.07 0.00 -1.10 0.00 0.00 41.96 40.78 1wfj s TYR 34 CO 0.23 -0.23 0.50 0.08 -2.51 0.00 0.00 175.55 173.62 1wfj s VAL 35 N 0.77 4.98 -0.39 -3.49 1.01 -1.26 -2.15 120.40 119.87 1wfj s VAL 35 Ca -0.05 0.45 0.04 0.00 0.00 0.00 0.00 61.98 62.43 1wfj s VAL 35 Cb -0.06 -3.64 0.11 0.00 0.00 0.00 0.00 36.38 32.79 1wfj s VAL 35 CO -0.05 0.05 0.11 -1.58 0.00 0.00 0.00 175.10 173.63 1wfj s GLN 36 N -2.51 1.61 0.11 2.72 0.74 -0.49 -2.16 119.66 119.68 1wfj s GLN 36 Ca 0.43 -2.08 -0.31 0.00 0.05 0.00 0.00 55.36 53.45 1wfj s GLN 36 Cb -0.12 -3.22 -0.09 0.00 1.10 0.00 0.00 33.01 30.68 1wfj s GLN 36 CO 0.21 -0.99 1.54 -0.51 -0.55 0.00 0.00 175.29 174.99 1wfj s LEU 37 N 0.57 4.36 -0.04 3.68 1.02 0.28 -3.87 118.68 124.68 1wfj s LEU 37 Ca 0.13 2.47 0.03 0.00 0.02 0.00 0.00 54.13 56.78 1wfj s LEU 37 Cb -0.21 -3.58 0.00 0.00 0.02 0.00 0.00 46.19 42.42 1wfj s LEU 37 CO -0.06 -0.80 -0.12 -0.89 0.02 0.00 0.00 176.35 174.50 1wfj s THR 38 N 1.72 1.06 -0.17 5.49 2.01 -0.90 0.46 115.64 125.29 1wfj s THR 38 Ca 0.70 -0.49 -0.05 0.00 0.31 0.00 0.00 61.69 62.16 1wfj s THR 38 Cb -0.40 -0.93 0.07 0.00 0.01 0.00 0.00 72.50 71.24 1wfj s THR 38 CO 0.31 0.32 0.12 0.00 -0.69 0.00 0.00 174.62 174.68 1wfj n ARG 40 N 5.29 0.00 -0.01 0.00 1.74 -1.26 0.90 116.66 123.32 1wfj n ARG 40 Ca -0.06 0.00 0.00 0.00 -0.77 0.00 0.00 57.85 57.02 1wfj n ARG 40 Cb 0.49 0.00 0.00 0.00 -1.02 0.00 0.00 32.46 31.93 1wfj n ARG 40 CO 0.00 0.00 0.00 -2.37 -1.52 0.00 0.00 177.63 173.74 1wfj n THR 41 N 0.00 0.16 -3.56 0.55 5.66 -1.26 -5.03 114.28 110.80 1wfj n THR 41 Ca 0.00 -0.17 -0.40 0.00 -3.05 0.00 0.00 64.05 60.43 1wfj n THR 41 Cb 0.00 0.90 -0.11 0.00 -1.55 0.00 0.00 70.33 69.58 1wfj n THR 41 CO 0.00 0.00 0.00 -1.10 -3.05 0.00 0.00 175.07 170.92 1wfj s GLN 42 N -0.17 3.37 -0.14 1.09 -0.21 0.26 -5.06 119.66 118.80 1wfj s GLN 42 Ca 0.00 -0.72 -0.02 0.00 0.02 0.00 0.00 55.36 54.64 1wfj s GLN 42 Cb 0.00 -3.76 -0.02 0.00 1.00 0.00 0.00 33.01 30.23 1wfj s GLN 42 CO 0.00 -0.48 -0.07 0.16 -2.12 0.00 0.00 175.29 172.78 1wfj s ASP 43 N 1.68 4.49 -0.14 5.90 -4.77 -1.26 -0.06 116.67 122.51 1wfj s ASP 43 Ca 0.05 -0.20 -0.06 0.00 -3.30 0.00 0.00 52.55 49.05 1wfj s ASP 43 Cb -0.18 -1.69 0.06 0.00 -1.09 0.00 0.00 42.92 40.03 1wfj s ASP 43 CO 0.09 0.18 0.30 -1.10 0.70 0.00 0.00 175.17 175.34 1wfj s GLN 44 N 0.30 0.22 0.40 2.11 -0.21 0.17 -5.00 119.66 117.66 1wfj s GLN 44 Ca -0.06 0.75 0.05 0.00 0.02 0.00 0.00 55.36 56.11 1wfj s GLN 44 Cb -0.15 0.00 0.00 0.00 1.00 0.00 0.00 33.01 33.87 1wfj s GLN 44 CO 0.04 -0.23 0.57 0.15 -2.12 0.00 0.00 175.29 173.70 1wfj s LYS 45 N 2.01 2.99 0.41 2.91 1.02 -1.26 0.98 119.74 128.80 1wfj s LYS 45 Ca -0.04 -0.89 0.07 0.00 0.02 0.00 0.00 55.97 55.14 1wfj s LYS 45 Cb -0.11 -2.71 -0.04 0.00 -0.52 0.00 0.00 37.83 34.45 1wfj s LYS 45 CO -0.10 -0.17 0.26 0.45 -0.92 0.00 0.00 175.35 174.88 1wfj s SER 46 N -4.24 4.70 0.89 2.83 0.15 -0.92 -4.91 113.70 112.21 1wfj s SER 46 Ca 0.49 -0.92 -0.15 0.00 0.70 0.00 0.00 55.95 56.07 1wfj s SER 46 Cb -0.10 -0.53 -0.03 0.00 -1.71 0.00 0.00 66.02 63.64 1wfj s SER 46 CO 0.34 -0.57 0.12 0.59 1.20 0.00 0.00 173.24 174.91 1wfj n ASN 47 N -1.36 -2.92 -4.50 5.45 4.13 -1.26 -4.74 115.26 110.06 1wfj n ASN 47 Ca 0.01 0.37 -0.43 0.00 1.68 0.00 0.00 54.58 56.20 1wfj n ASN 47 Cb 0.63 -1.08 -0.05 0.00 -1.54 0.00 0.00 39.78 37.74 1wfj n ASN 47 CO 0.00 0.00 0.00 -0.69 0.28 0.00 0.00 177.26 176.85 1wfj s VAL 48 N -2.18 4.49 -0.83 2.41 1.01 -1.26 -4.78 120.40 119.26 1wfj s VAL 48 Ca 0.55 0.03 -0.25 0.00 0.00 0.00 0.00 61.98 62.30 1wfj s VAL 48 Cb -0.25 -4.50 -0.11 0.00 0.00 0.00 0.00 36.38 31.53 1wfj s VAL 48 CO 0.69 -1.08 2.25 0.00 0.00 0.00 0.00 175.10 176.96 1wfj s ALA 49 N 3.66 1.02 -0.29 5.51 0.00 -1.15 -4.89 121.76 125.62 1wfj s ALA 49 Ca 0.26 -1.04 -0.29 0.00 0.00 0.00 0.00 51.96 50.88 1wfj s ALA 49 Cb -0.15 -4.57 0.01 0.00 0.00 0.00 0.00 23.12 18.41 1wfj s ALA 49 CO 0.16 -5.55 1.20 -1.21 0.00 0.00 0.00 175.76 170.37 1wfj s GLU 50 N 8.25 4.02 0.00 0.00 2.02 -1.26 -3.85 118.70 127.88 1wfj s GLU 50 Ca 0.85 1.23 0.00 0.00 0.02 0.00 0.00 54.97 57.07 1wfj s GLU 50 Cb -0.11 -3.81 0.00 0.00 0.10 0.00 0.00 34.13 30.32 1wfj s GLU 50 CO 0.05 -0.98 0.00 0.41 0.02 0.00 0.00 175.26 174.76 1wfj n GLY 51 N 4.04 0.00 0.05 -1.39 0.00 -1.00 -4.92 105.19 101.96 1wfj n GLY 51 Ca 0.13 0.00 -0.05 0.00 0.00 0.00 0.00 46.02 46.10 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 1.38 2.16 0.00 1.61 2.81 -1.26 -5.06 117.12 118.76 1wfj n MET 52 Ca 0.00 0.00 0.00 0.00 -1.81 0.00 0.00 57.70 55.89 1wfj n MET 52 Cb 0.33 -1.25 0.00 0.00 -0.71 0.00 0.00 33.22 31.59 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 2.46 0.79 2.02 3.03 0.00 -1.26 -4.51 105.19 107.72 1wfj n GLY 53 Ca -0.17 -0.73 -0.04 0.00 0.00 0.00 0.00 46.02 45.09 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 -0.12 -2.83 2.61 -2.24 -0.34 -4.75 114.28 106.61 1wfj n THR 54 Ca 0.00 0.00 -0.09 0.00 -2.27 0.00 0.00 64.05 61.69 1wfj n THR 54 Cb 0.00 -0.51 0.01 0.00 -2.10 0.00 0.00 70.33 67.74 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 -2.20 -0.14 -2.36 4.28 -2.24 -1.26 -3.72 114.28 106.65 1wfj n THR 55 Ca -0.05 -1.62 -0.43 0.00 -2.27 0.00 0.00 64.05 59.69 1wfj n THR 55 Cb 0.38 0.81 -0.02 0.00 -2.10 0.00 0.00 70.33 69.39 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 0.59 3.70 -0.17 -0.78 0.04 -1.21 -4.77 135.00 132.40 1wfj s PRO 56 Ca 0.31 1.08 -0.08 0.00 0.04 0.00 0.00 61.00 62.35 1wfj s PRO 56 Cb 0.12 -3.98 -0.04 0.00 0.04 0.00 0.00 34.50 30.64 1wfj s PRO 56 CO -0.15 -1.40 0.09 -2.00 0.04 0.00 0.00 177.00 173.58 1wfj s GLU 57 N 4.66 3.87 0.00 4.56 2.12 -1.26 -2.78 118.70 129.87 1wfj s GLU 57 Ca 0.60 -0.27 -0.05 0.00 0.36 0.00 0.00 54.97 55.61 1wfj s GLU 57 Cb -0.15 -3.24 -0.02 0.00 0.26 0.00 0.00 34.13 30.98 1wfj s GLU 57 CO 0.29 0.41 -0.11 0.91 -0.54 0.00 0.00 175.26 176.22 1wfj n TRP 58 N 3.13 0.00 -3.03 5.30 8.01 0.52 -4.90 117.44 126.47 1wfj n TRP 58 Ca -0.17 0.00 -0.19 0.00 -1.31 0.00 0.00 57.50 55.83 1wfj n TRP 58 Cb 0.53 -0.17 0.04 0.00 -2.01 0.00 0.00 31.31 29.70 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 -3.75 -5.46 -2.30 -0.99 3.02 0.84 -4.97 115.26 101.66 1wfj n ASN 59 Ca -0.06 -0.29 -0.03 0.00 -0.03 0.00 0.00 54.58 54.17 1wfj n ASN 59 Cb 0.21 -4.24 0.01 0.00 -0.61 0.00 0.00 39.78 35.15 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 -3.69 0.49 -3.66 3.52 -0.58 -0.67 -4.88 120.64 111.18 1wfj n GLU 60 Ca -0.07 -0.32 -0.12 0.00 -0.42 0.00 0.00 57.16 56.24 1wfj n GLU 60 Cb 0.59 -0.08 -0.12 0.00 -0.57 0.00 0.00 31.44 31.26 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 -0.23 -0.50 -0.07 2.62 2.01 -1.26 -2.70 115.64 115.51 1wfj s THR 61 Ca 0.08 0.24 0.05 0.00 0.31 0.00 0.00 61.69 62.37 1wfj s THR 61 Cb -0.00 -0.52 -0.01 0.00 0.01 0.00 0.00 72.50 71.98 1wfj s THR 61 CO 0.05 0.10 -0.24 -0.36 -0.69 0.00 0.00 174.62 173.48 1wfj s PHE 62 N 2.49 2.47 0.12 4.92 0.40 0.33 -4.94 117.98 123.77 1wfj s PHE 62 Ca 0.00 -0.85 0.03 0.00 -0.60 0.00 0.00 56.93 55.51 1wfj s PHE 62 Cb -0.12 -1.63 -0.04 0.00 0.51 0.00 0.00 43.02 41.74 1wfj s PHE 62 CO -0.10 -0.30 0.17 0.42 0.70 0.00 0.00 175.22 176.11 1wfj s ILE 63 N 0.05 4.83 -0.18 0.64 -1.09 -1.26 0.16 121.20 124.35 1wfj s ILE 63 Ca -0.10 -0.81 -0.10 0.00 -2.23 0.00 0.00 60.65 57.42 1wfj s ILE 63 Cb -0.15 -3.42 0.06 0.00 -1.58 0.00 0.00 42.46 37.36 1wfj s ILE 63 CO 0.06 -0.01 0.44 -0.36 -1.23 0.00 0.00 174.94 173.84 1wfj s PHE 64 N -1.62 -0.66 0.08 3.97 0.08 -0.57 -4.96 117.98 114.30 1wfj s PHE 64 Ca 0.32 1.39 -0.31 0.00 0.12 0.00 0.00 56.93 58.45 1wfj s PHE 64 Cb -0.11 0.31 -0.06 0.00 -0.57 0.00 0.00 43.02 42.59 1wfj s PHE 64 CO 0.25 -0.37 1.22 0.99 -0.10 0.00 0.00 175.22 177.21 1wfj s THR 65 N 1.46 3.90 0.08 0.64 2.01 -1.26 -0.95 115.64 121.52 1wfj s THR 65 Ca -0.09 1.39 0.07 0.00 0.31 0.00 0.00 61.69 63.37 1wfj s THR 65 Cb -0.08 -3.89 -0.04 0.00 0.01 0.00 0.00 72.50 68.50 1wfj s THR 65 CO -0.14 0.12 -0.14 -0.69 -0.69 0.00 0.00 174.62 173.09 1wfj s VAL 66 N 0.94 3.10 0.12 3.82 1.01 -1.05 -4.95 120.40 123.39 1wfj s VAL 66 Ca 0.59 -1.24 0.00 0.00 0.00 0.00 0.00 61.98 61.33 1wfj s VAL 66 Cb -0.31 -2.39 0.00 0.00 0.00 0.00 0.00 36.38 33.68 1wfj s VAL 66 CO 0.30 0.21 0.00 -0.24 0.00 0.00 0.00 175.10 175.37 1wfj n SER 67 N 1.09 -1.04 -3.63 3.32 2.88 -1.26 -3.62 113.62 111.35 1wfj n SER 67 Ca -0.15 0.23 -0.09 0.00 -1.33 0.00 0.00 58.87 57.52 1wfj n SER 67 Cb 0.52 1.32 -0.07 0.00 -0.75 0.00 0.00 64.21 65.24 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 -2.00 0.52 0.00 -1.46 -1.05 -1.26 -4.79 118.70 108.66 1wfj s GLU 68 Ca 0.00 0.56 0.00 0.00 -0.15 0.00 0.00 54.97 55.38 1wfj s GLU 68 Cb 0.00 0.25 0.00 0.00 -0.44 0.00 0.00 34.13 33.94 1wfj s GLU 68 CO 0.00 -0.07 0.00 0.41 0.95 0.00 0.00 175.26 176.55 1wfj n GLY 69 N 2.08 2.50 3.57 -3.83 0.00 -1.26 -4.96 105.19 103.29 1wfj n GLY 69 Ca -0.12 -0.53 -0.40 0.00 0.00 0.00 0.00 46.02 44.96 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 3.46 0.00 2.61 2.01 -1.26 -4.68 115.64 117.77 1wfj s THR 70 Ca 0.00 0.38 0.00 0.00 0.31 0.00 0.00 61.69 62.38 1wfj s THR 70 Cb 0.00 -3.87 0.00 0.00 0.01 0.00 0.00 72.50 68.64 1wfj s THR 70 CO 0.00 -0.72 0.50 0.35 -0.69 0.00 0.00 174.62 174.05 1wfj n THR 71 N 7.27 0.25 -3.60 -0.82 -2.24 -1.26 -4.81 114.28 109.06 1wfj n THR 71 Ca 0.21 -0.37 -0.12 0.00 -2.27 0.00 0.00 64.05 61.49 1wfj n THR 71 Cb 0.50 1.13 -0.06 0.00 -2.10 0.00 0.00 70.33 69.79 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 -0.25 0.72 -0.08 -0.78 -1.05 -1.26 -0.40 118.70 115.59 1wfj s GLU 72 Ca 0.00 0.57 -0.05 0.00 -0.15 0.00 0.00 54.97 55.34 1wfj s GLU 72 Cb 0.00 0.34 -0.04 0.00 -0.44 0.00 0.00 34.13 33.99 1wfj s GLU 72 CO 0.00 -0.14 0.16 -1.17 0.95 0.00 0.00 175.26 175.06 1wfj s LEU 73 N -0.22 4.38 -0.22 1.83 2.96 0.81 -4.83 118.68 123.39 1wfj s LEU 73 Ca -0.01 0.43 -0.07 0.00 -0.22 0.00 0.00 54.13 54.26 1wfj s LEU 73 Cb -0.03 -2.28 -0.03 0.00 0.50 0.00 0.00 46.19 44.34 1wfj s LEU 73 CO 0.00 0.35 0.06 -0.54 -1.32 0.00 0.00 176.35 174.91 1wfj s LYS 74 N -1.37 3.75 -0.33 1.98 3.01 -1.09 -0.75 119.74 124.94 1wfj s LYS 74 Ca 0.20 -0.44 0.03 0.00 -1.01 0.00 0.00 55.97 54.74 1wfj s LYS 74 Cb -0.12 -3.27 0.09 0.00 -1.01 0.00 0.00 37.83 33.52 1wfj s LYS 74 CO 0.10 -0.03 0.03 0.00 0.51 0.00 0.00 175.35 175.96 1wfj s ALA 75 N 1.18 2.85 -0.16 5.17 0.00 -0.91 -2.12 121.76 127.76 1wfj s ALA 75 Ca 0.04 -2.31 -0.05 0.00 0.00 0.00 0.00 51.96 49.64 1wfj s ALA 75 Cb -0.14 -1.93 -0.04 0.00 0.00 0.00 0.00 23.12 21.01 1wfj s ALA 75 CO 0.03 -1.56 0.03 0.15 0.00 0.00 0.00 175.76 174.41 1wfj s LYS 76 N 1.00 3.71 -0.06 0.00 1.02 -1.25 -1.11 119.74 123.04 1wfj s LYS 76 Ca 0.05 -0.39 -0.04 0.00 0.02 0.00 0.00 55.97 55.62 1wfj s LYS 76 Cb -0.20 -3.06 -0.04 0.00 -0.52 0.00 0.00 37.83 34.01 1wfj s LYS 76 CO -0.06 0.37 0.11 0.42 -0.92 0.00 0.00 175.35 175.26 1wfj s ILE 77 N 0.08 5.10 0.00 2.17 1.09 0.25 -1.39 121.20 128.49 1wfj s ILE 77 Ca 0.04 -0.11 0.00 0.00 -1.10 0.00 0.00 60.65 59.48 1wfj s ILE 77 Cb -0.13 -3.27 0.00 0.00 -1.06 0.00 0.00 42.46 38.00 1wfj s ILE 77 CO 0.01 0.48 0.00 0.49 -0.10 0.00 0.00 174.94 175.83 1wfj n PHE 78 N 1.57 0.00 -4.52 3.97 3.01 -0.92 0.60 117.46 121.18 1wfj n PHE 78 Ca -0.16 0.00 -0.29 0.00 1.01 0.00 0.00 57.45 58.01 1wfj n PHE 78 Cb 0.54 0.00 -0.17 0.00 -0.01 0.00 0.00 39.48 39.84 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 1.16 2.47 0.57 4.37 -1.08 -1.26 -2.87 116.67 120.03 1wfj s ASP 79 Ca 0.00 -0.44 0.48 0.00 -0.52 0.00 0.00 52.55 52.07 1wfj s ASP 79 Cb 0.00 -1.11 1.63 0.00 -1.46 0.00 0.00 42.92 41.98 1wfj s ASP 79 CO 0.00 0.03 1.53 0.07 0.52 0.00 0.00 175.17 177.32 1wfj h LYS 80 N 7.34 0.00 0.23 4.34 2.10 -1.20 1.46 116.57 130.83 1wfj h LYS 80 Ca -0.30 0.00 -0.01 0.00 -2.00 0.00 0.00 60.65 58.33 1wfj h LYS 80 Cb 1.18 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 32.51 1wfj h LYS 80 CO 0.49 0.00 -0.11 0.22 -2.00 0.00 0.00 179.45 178.05 1wfj h ASP 81 N 0.00 -0.26 -0.46 7.07 3.58 -1.94 -3.45 116.42 120.96 1wfj h ASP 81 Ca 0.89 -0.27 0.00 0.00 0.42 0.00 0.00 57.03 58.06 1wfj h ASP 81 Cb 3.69 0.07 0.00 0.00 1.72 0.00 0.00 39.33 44.81 1wfj h ASP 81 CO -0.01 0.22 0.00 1.33 -2.88 0.00 0.00 179.24 177.90 1wfj n VAL 82 N -5.01 0.00 -4.02 2.25 0.24 0.50 -5.09 118.33 107.20 1wfj n VAL 82 Ca -0.08 0.00 -0.08 0.00 -2.04 0.00 0.00 64.34 62.14 1wfj n VAL 82 Cb 0.26 -0.89 -0.10 0.00 -1.47 0.00 0.00 33.84 31.63 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 -1.46 0.34 0.57 7.63 0.00 -1.26 -4.77 107.32 108.37 1wfj s GLY 83 Ca 0.00 -0.87 0.45 0.00 0.00 0.00 0.00 44.72 44.31 1wfj s GLY 83 CO 0.00 -0.96 1.52 -0.91 0.00 0.00 0.00 173.10 172.75 1wfj h THR 84 N 3.87 0.01 -3.25 0.90 1.35 -1.95 -2.05 112.91 111.79 1wfj h THR 84 Ca -0.33 0.00 -0.66 0.00 -0.55 0.00 0.00 66.41 64.87 1wfj h THR 84 Cb 1.18 0.01 -0.39 0.00 -1.73 0.00 0.00 68.15 67.22 1wfj h THR 84 CO 0.53 0.00 -0.40 -1.61 -0.25 0.00 0.00 175.52 173.79 1wfj s GLU 85 N -4.77 2.68 0.01 4.72 2.02 -1.26 -4.74 118.70 117.36 1wfj s GLU 85 Ca -0.04 -3.15 0.00 0.00 0.02 0.00 0.00 54.97 51.80 1wfj s GLU 85 Cb 0.24 -3.62 0.00 0.00 0.10 0.00 0.00 34.13 30.85 1wfj s GLU 85 CO 0.80 -1.24 0.00 -3.47 0.02 0.00 0.00 175.26 171.37 1wfj n ASP 86 N 2.40 -0.05 -3.32 -0.19 2.03 -0.77 -5.12 116.55 111.52 1wfj n ASP 86 Ca 0.17 0.01 0.03 0.00 0.52 0.00 0.00 54.79 55.52 1wfj n ASP 86 Cb 0.36 0.36 -0.03 0.00 -0.72 0.00 0.00 41.12 41.09 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 -1.02 -0.90 -0.30 1.67 1.01 -1.26 -5.04 116.67 110.83 1wfj s ASP 87 Ca 0.00 0.86 -0.17 0.00 0.71 0.00 0.00 52.55 53.95 1wfj s ASP 87 Cb 0.00 1.88 -0.02 0.00 1.01 0.00 0.00 42.92 45.79 1wfj s ASP 87 CO 0.00 -0.17 0.48 0.00 0.21 0.00 0.00 175.17 175.69 1wfj s ALA 88 N 2.77 3.54 0.58 5.23 0.00 -1.26 -4.47 121.76 128.15 1wfj s ALA 88 Ca 0.04 -0.82 0.38 0.00 0.00 0.00 0.00 51.96 51.56 1wfj s ALA 88 Cb -0.11 -2.90 1.42 0.00 0.00 0.00 0.00 23.12 21.53 1wfj s ALA 88 CO -0.17 -0.93 1.57 -0.39 0.00 0.00 0.00 175.76 175.84 1wfj h VAL 89 N 5.49 0.12 0.00 0.00 -1.51 -0.11 -3.44 116.25 116.80 1wfj h VAL 89 Ca -0.29 0.00 0.00 0.00 -1.23 0.00 0.00 66.70 65.18 1wfj h VAL 89 Cb 1.14 0.15 0.00 0.00 -2.13 0.00 0.00 31.29 30.44 1wfj h VAL 89 CO 0.72 0.00 0.00 0.61 -1.23 0.00 0.00 177.57 177.67 1wfj n GLY 90 N -1.79 -0.80 3.51 5.19 0.00 -1.15 -4.79 105.19 105.37 1wfj n GLY 90 Ca 0.31 -1.04 -0.13 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 1.85 -0.23 1.61 4.04 0.96 0.87 118.70 125.80 1wfj s GLU 91 Ca 0.00 -1.66 -0.26 0.00 0.04 0.00 0.00 54.97 53.09 1wfj s GLU 91 Cb 0.00 0.45 0.08 0.00 0.02 0.00 0.00 34.13 34.68 1wfj s GLU 91 CO 0.00 -0.77 0.76 0.00 -1.84 0.00 0.00 175.26 173.41 1wfj s ALA 92 N -3.19 -1.81 -0.35 -0.84 0.00 -0.27 -1.30 121.76 114.01 1wfj s ALA 92 Ca 0.29 1.88 -0.13 0.00 0.00 0.00 0.00 51.96 53.99 1wfj s ALA 92 Cb -0.00 -1.00 -0.01 0.00 0.00 0.00 0.00 23.12 22.10 1wfj s ALA 92 CO 0.18 -0.33 0.25 0.99 0.00 0.00 0.00 175.76 176.84 1wfj s THR 93 N 0.05 5.27 -0.45 0.00 2.01 -1.26 -2.15 115.64 119.10 1wfj s THR 93 Ca -0.01 -0.27 -0.08 0.00 0.31 0.00 0.00 61.69 61.64 1wfj s THR 93 Cb -0.04 -3.73 0.12 0.00 0.01 0.00 0.00 72.50 68.85 1wfj s THR 93 CO 0.02 -0.04 0.31 -0.63 -0.69 0.00 0.00 174.62 173.58 1wfj s ILE 94 N 1.72 3.97 0.20 1.82 1.01 0.07 -4.93 121.20 125.06 1wfj s ILE 94 Ca 0.06 -1.85 -0.30 0.00 0.00 0.00 0.00 60.65 58.56 1wfj s ILE 94 Cb -0.18 -3.64 -0.08 0.00 0.01 0.00 0.00 42.46 38.58 1wfj s ILE 94 CO 0.10 -0.75 1.11 -2.16 0.00 0.00 0.00 174.94 173.24 1wfj s PRO 95 N 1.31 4.60 0.00 2.79 0.04 -1.26 0.28 135.00 142.75 1wfj s PRO 95 Ca 0.06 1.75 0.22 0.00 0.04 0.00 0.00 61.00 63.07 1wfj s PRO 95 Cb -0.25 -3.25 0.52 0.00 0.04 0.00 0.00 34.50 31.56 1wfj s PRO 95 CO -0.02 0.10 1.44 1.28 0.04 0.00 0.00 177.00 179.84 1wfj n LEU 96 N 2.10 2.97 -0.30 -3.56 4.77 0.46 -4.20 117.00 119.25 1wfj n LEU 96 Ca 0.02 -1.32 -0.05 0.00 -0.03 0.00 0.00 56.01 54.63 1wfj n LEU 96 Cb 0.46 -0.25 0.08 0.00 -2.33 0.00 0.00 43.42 41.38 1wfj n LEU 96 CO 0.54 0.66 1.09 -0.08 -1.33 0.00 0.00 177.39 178.27 1wfj h GLU 97 N 3.72 1.20 0.00 3.23 4.81 -1.91 0.18 114.58 125.82 1wfj h GLU 97 Ca 0.00 -0.19 -0.13 0.00 -0.13 0.00 0.00 59.36 58.90 1wfj h GLU 97 Cb 0.83 -0.21 -0.02 0.00 0.63 0.00 0.00 28.75 29.98 1wfj h GLU 97 CO 0.00 0.94 -0.63 -1.00 -0.73 0.00 0.00 179.01 177.59 1wfj h PRO 98 N 1.19 0.00 0.00 0.92 0.13 -1.93 -2.21 132.00 130.10 1wfj h PRO 98 Ca 0.28 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.41 1wfj h PRO 98 Cb 0.16 0.00 0.00 0.00 0.13 0.00 0.00 31.00 31.29 1wfj h PRO 98 CO -0.03 0.63 -0.18 1.55 -0.23 0.00 0.00 178.00 179.74 1wfj n VAL 99 N -3.56 0.02 -0.03 1.56 3.14 -0.89 -0.95 118.33 117.62 1wfj n VAL 99 Ca -0.00 -0.01 -0.15 0.00 -2.96 0.00 0.00 64.34 61.22 1wfj n VAL 99 Cb 0.68 -0.24 -0.14 0.00 -1.06 0.00 0.00 33.84 33.08 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 -1.53 0.90 0.01 1.45 3.72 0.60 -1.60 117.46 121.02 1wfj n PHE 100 Ca 0.06 0.25 -0.16 0.00 -0.05 0.00 0.00 57.45 57.56 1wfj n PHE 100 Cb 0.34 -1.14 -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 0.83 0.00 -4.37 -1.51 -1.45 -3.35 116.25 106.42 1wfj h VAL 101 Ca -0.40 -2.58 -0.24 0.00 -1.23 0.00 0.00 66.70 62.25 1wfj h VAL 101 Cb 2.04 2.53 -0.04 0.00 -2.13 0.00 0.00 31.29 33.69 1wfj h VAL 101 CO 0.06 0.73 -1.39 -0.33 -1.23 0.00 0.00 177.57 175.42 1wfj h GLU 102 N 0.04 0.00 0.00 5.19 4.39 -1.23 -3.47 114.58 119.50 1wfj h GLU 102 Ca -0.33 0.00 0.00 0.00 0.34 0.00 0.00 59.36 59.37 1wfj h GLU 102 Cb 2.02 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 30.67 1wfj h GLU 102 CO 0.10 0.64 0.00 0.41 -1.16 0.00 0.00 179.01 179.01 1wfj n GLY 103 N 1.46 2.70 3.64 -3.84 0.00 -0.62 -4.90 105.19 103.62 1wfj n GLY 103 Ca -0.10 0.00 -0.03 0.00 0.00 0.00 0.00 46.02 45.89 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 -3.85 -0.54 -0.03 1.61 1.04 -1.24 -2.05 113.70 108.63 1wfj s SER 104 Ca 0.00 0.87 0.05 0.00 0.48 0.00 0.00 55.95 57.35 1wfj s SER 104 Cb 0.00 1.19 -0.01 0.00 0.10 0.00 0.00 66.02 67.30 1wfj s SER 104 CO 0.00 -0.14 -0.19 -0.63 0.98 0.00 0.00 173.24 173.26 1wfj s ILE 105 N 1.27 1.53 0.99 -1.02 -1.09 0.38 -4.87 121.20 118.40 1wfj s ILE 105 Ca -0.08 -0.80 -0.15 0.00 -2.23 0.00 0.00 60.65 57.40 1wfj s ILE 105 Cb -0.04 -1.30 0.19 0.00 -1.58 0.00 0.00 42.46 39.73 1wfj s ILE 105 CO -0.15 0.44 1.18 -2.16 -1.23 0.00 0.00 174.94 173.02 1wfj s PRO 106 N -0.17 0.46 -0.39 2.79 0.04 -1.26 -3.00 135.00 133.47 1wfj s PRO 106 Ca 0.01 0.03 -0.29 0.00 0.04 0.00 0.00 61.00 60.79 1wfj s PRO 106 Cb -0.10 -1.78 0.01 0.00 0.04 0.00 0.00 34.50 32.66 1wfj s PRO 106 CO 0.01 -2.61 1.40 -1.25 0.04 0.00 0.00 177.00 174.59 1wfj s PRO 107 N -5.46 3.64 0.21 0.56 0.04 -1.25 -4.38 135.00 128.35 1wfj s PRO 107 Ca 0.68 1.01 0.09 0.00 0.04 0.00 0.00 61.00 62.82 1wfj s PRO 107 Cb -0.11 -4.00 -0.05 0.00 0.04 0.00 0.00 34.50 30.39 1wfj s PRO 107 CO 0.54 -1.48 -0.17 0.99 0.04 0.00 0.00 177.00 176.92 1wfj s THR 108 N 5.24 1.91 -0.40 1.26 2.01 0.15 -4.85 115.64 120.95 1wfj s THR 108 Ca 0.61 -2.15 -0.22 0.00 0.31 0.00 0.00 61.69 60.24 1wfj s THR 108 Cb -0.14 -2.03 0.01 0.00 0.01 0.00 0.00 72.50 70.35 1wfj s THR 108 CO 0.31 -0.46 0.71 0.00 -0.69 0.00 0.00 174.62 174.48 1wfj s ALA 109 N -2.58 3.38 -0.00 7.40 0.00 -1.26 -0.05 121.76 128.66 1wfj s ALA 109 Ca 0.22 -0.93 -0.20 0.00 0.00 0.00 0.00 51.96 51.05 1wfj s ALA 109 Cb -0.03 -3.32 -0.06 0.00 0.00 0.00 0.00 23.12 19.71 1wfj s ALA 109 CO 0.08 -1.62 0.57 0.71 0.00 0.00 0.00 175.76 175.50 1wfj s TYR 110 N 2.97 3.69 -0.01 0.00 2.02 0.33 -4.72 117.35 121.63 1wfj s TYR 110 Ca 0.27 1.17 -0.35 0.00 -0.37 0.00 0.00 57.07 57.79 1wfj s TYR 110 Cb -0.13 -2.56 -0.13 0.00 -0.40 0.00 0.00 41.96 38.73 1wfj s TYR 110 CO 0.18 0.40 1.72 0.09 -1.57 0.00 0.00 175.55 176.37 1wfj n ASN 111 N 2.56 3.08 -4.30 2.29 4.13 -1.26 0.89 115.26 122.66 1wfj n ASN 111 Ca -0.08 1.03 -0.37 0.00 1.68 0.00 0.00 54.58 56.84 1wfj n ASN 111 Cb 0.51 -1.35 -0.13 0.00 -1.54 0.00 0.00 39.78 37.27 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 2.66 3.77 0.45 2.41 1.01 0.87 -4.40 120.40 127.16 1wfj s VAL 112 Ca 0.88 -0.93 0.07 0.00 0.00 0.00 0.00 61.98 61.99 1wfj s VAL 112 Cb -0.74 -3.03 -0.02 0.00 0.00 0.00 0.00 36.38 32.58 1wfj s VAL 112 CO 0.48 -0.03 0.26 0.68 0.00 0.00 0.00 175.10 176.49 1wfj s VAL 113 N 1.44 2.17 -0.37 2.92 -7.23 -0.42 0.14 120.40 119.06 1wfj s VAL 113 Ca 0.00 -1.59 0.02 0.00 -1.81 0.00 0.00 61.98 58.60 1wfj s VAL 113 Cb -0.18 -2.77 0.15 0.00 0.56 0.00 0.00 36.38 34.14 1wfj s VAL 113 CO 0.02 0.00 0.34 -0.75 -0.31 0.00 0.00 175.10 174.40 1wfj s LYS 114 N -4.03 0.62 0.00 4.82 2.47 0.47 -0.03 119.74 124.06 1wfj s LYS 114 Ca 0.39 -0.97 0.00 0.00 -1.56 0.00 0.00 55.97 53.83 1wfj s LYS 114 Cb 0.01 -0.85 0.00 0.00 -1.46 0.00 0.00 37.83 35.53 1wfj s LYS 114 CO 0.22 -1.20 0.00 -0.25 0.16 0.00 0.00 175.35 174.28 1wfj n ASP 115 N 4.19 0.00 0.00 1.43 8.00 -1.26 -2.82 116.55 126.09 1wfj n ASP 115 Ca 0.11 0.00 0.00 0.00 0.71 0.00 0.00 54.79 55.61 1wfj n ASP 115 Cb 0.43 0.00 0.00 0.00 -0.02 0.00 0.00 41.12 41.53 1wfj n ASP 115 CO 0.00 0.00 0.00 -1.84 -0.39 0.00 0.00 177.20 174.97 1wfj n GLU 116 N -1.62 0.00 -3.10 -1.24 0.28 -1.26 -5.14 120.64 108.57 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 4.41 -0.67 3.44 2.02 -1.13 -5.00 118.70 121.77 1wfj s GLU 117 Ca 0.00 0.95 -0.27 0.00 0.02 0.00 0.00 54.97 55.66 1wfj s GLU 117 Cb 0.00 -3.30 0.02 0.00 0.10 0.00 0.00 34.13 30.95 1wfj s GLU 117 CO 0.00 0.47 1.38 -0.47 0.02 0.00 0.00 175.26 176.66 1wfj s TYR 118 N -0.66 2.24 0.12 1.61 5.04 -1.26 0.18 117.35 124.62 1wfj s TYR 118 Ca 0.34 0.22 -0.14 0.00 -2.44 0.00 0.00 57.07 55.06 1wfj s TYR 118 Cb -0.21 -4.50 -0.04 0.00 0.35 0.00 0.00 41.96 37.56 1wfj s TYR 118 CO 0.22 -2.03 1.49 0.87 -1.34 0.00 0.00 175.55 174.76 1wfj h LYS 119 N 10.85 0.78 0.00 4.97 1.79 0.98 -3.48 116.57 132.47 1wfj h LYS 119 Ca -0.27 -0.35 0.00 0.00 -2.18 0.00 0.00 60.65 57.85 1wfj h LYS 119 Cb 1.07 -0.02 0.00 0.00 -1.58 0.00 0.00 32.23 31.71 1wfj h LYS 119 CO 1.24 0.97 0.00 0.41 -1.08 0.00 0.00 179.45 180.99 1wfj n GLY 120 N -0.04 -0.55 3.08 3.86 0.00 -0.21 -4.08 105.19 107.26 1wfj n GLY 120 Ca -0.02 0.10 -0.12 0.00 0.00 0.00 0.00 46.02 45.98 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 0.30 -0.22 1.61 -1.05 -0.67 -0.09 118.70 118.58 1wfj s GLU 121 Ca 0.00 0.04 -0.02 0.00 -0.15 0.00 0.00 54.97 54.84 1wfj s GLU 121 Cb 0.00 0.14 0.01 0.00 -0.44 0.00 0.00 34.13 33.83 1wfj s GLU 121 CO 0.00 -0.06 -0.08 -1.50 0.95 0.00 0.00 175.26 174.57 1wfj s ILE 122 N -0.39 2.98 -0.19 1.83 2.07 0.26 -1.68 121.20 126.07 1wfj s ILE 122 Ca -0.05 -0.71 -0.29 0.00 -1.41 0.00 0.00 60.65 58.19 1wfj s ILE 122 Cb -0.03 -2.37 -0.00 0.00 0.13 0.00 0.00 42.46 40.18 1wfj s ILE 122 CO 0.01 0.39 1.11 0.26 -1.91 0.00 0.00 174.94 174.80 1wfj s TRP 123 N 1.40 3.20 0.13 3.50 0.52 0.42 0.12 118.94 128.24 1wfj s TRP 123 Ca 0.04 1.33 -0.03 0.00 0.02 0.00 0.00 56.10 57.46 1wfj s TRP 123 Cb -0.15 -3.34 -0.03 0.00 -1.15 0.00 0.00 33.47 28.80 1wfj s TRP 123 CO -0.06 -0.86 0.11 0.08 0.02 0.00 0.00 176.95 176.24 1wfj s VAL 124 N 3.15 0.10 -0.20 4.03 1.01 0.93 -2.50 120.40 126.92 1wfj s VAL 124 Ca 0.48 -1.78 -0.08 0.00 0.00 0.00 0.00 61.98 60.60 1wfj s VAL 124 Cb -0.18 -1.97 0.08 0.00 0.00 0.00 0.00 36.38 34.32 1wfj s VAL 124 CO 0.10 -0.45 0.44 0.00 0.00 0.00 0.00 175.10 175.19 1wfj s ALA 125 N -4.02 -1.20 -0.06 5.51 0.00 -0.77 0.31 121.76 121.53 1wfj s ALA 125 Ca 0.22 1.58 0.00 0.00 0.00 0.00 0.00 51.96 53.76 1wfj s ALA 125 Cb 0.07 -1.26 -0.03 0.00 0.00 0.00 0.00 23.12 21.90 1wfj s ALA 125 CO 0.01 -0.64 -0.04 -0.51 0.00 0.00 0.00 175.76 174.58 1wfj s LEU 126 N 2.31 3.33 -0.41 0.00 2.01 -1.16 0.17 118.68 124.93 1wfj s LEU 126 Ca -0.04 0.03 0.01 0.00 0.01 0.00 0.00 54.13 54.14 1wfj s LEU 126 Cb -0.11 -1.77 0.14 0.00 0.01 0.00 0.00 46.19 44.47 1wfj s LEU 126 CO -0.13 0.36 0.25 -0.44 1.01 0.00 0.00 176.35 177.39 1wfj s SER 127 N -0.93 3.14 0.86 2.29 0.01 0.11 0.14 113.70 119.32 1wfj s SER 127 Ca 0.14 -2.52 -0.10 0.00 1.31 0.00 0.00 55.95 54.77 1wfj s SER 127 Cb -0.11 -0.71 0.11 0.00 0.21 0.00 0.00 66.02 65.52 1wfj s SER 127 CO 0.03 -0.27 1.13 0.12 0.41 0.00 0.00 173.24 174.66 1wfj s PHE 128 N 0.57 1.98 -0.37 2.43 5.36 -0.87 -2.66 117.98 124.42 1wfj s PHE 128 Ca 0.20 1.71 0.02 0.00 -0.96 0.00 0.00 56.93 57.89 1wfj s PHE 128 Cb -0.20 -3.24 0.15 0.00 -0.34 0.00 0.00 43.02 39.39 1wfj s PHE 128 CO -0.02 -2.43 0.29 0.15 -1.46 0.00 0.00 175.22 171.75 1wfj s LYS 129 N -4.73 0.63 0.30 10.12 1.02 0.27 -4.53 119.74 122.81 1wfj s LYS 129 Ca 0.65 -1.25 -0.28 0.00 0.02 0.00 0.00 55.97 55.10 1wfj s LYS 129 Cb -0.21 -1.08 -0.09 0.00 -0.52 0.00 0.00 37.83 35.93 1wfj s LYS 129 CO 0.57 -1.23 1.08 -1.25 -0.92 0.00 0.00 175.35 173.60 1wfj s PRO 130 N 1.07 4.56 -0.79 -1.68 0.04 -1.26 -1.52 135.00 135.42 1wfj s PRO 130 Ca 0.20 1.72 -0.08 0.00 0.04 0.00 0.00 61.00 62.88 1wfj s PRO 130 Cb -0.17 -3.07 -0.15 0.00 0.04 0.00 0.00 34.50 31.15 1wfj s PRO 130 CO -0.03 0.17 3.23 0.43 0.04 0.00 0.00 177.00 180.84 1wfj n SER 131 N 0.96 6.97 0.00 6.66 7.64 -1.24 -4.69 113.62 129.92 1wfj n SER 131 Ca 0.00 -2.60 0.00 0.00 1.01 0.00 0.00 58.87 57.28 1wfj n SER 131 Cb 0.46 -1.46 0.00 0.00 -1.01 0.00 0.00 64.21 62.20 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 2.80 4.60 2.61 0.23 0.00 -1.26 -4.97 105.19 109.21 1wfj n GLY 132 Ca 0.60 -1.70 -0.33 0.00 0.00 0.00 0.00 46.02 44.59 1wfj n GLY 132 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 1wfj n PRO 133 N 0.00 2.60 -3.03 1.61 -0.04 -1.26 -4.87 135.00 130.01 1wfj n PRO 133 Ca 0.00 -1.91 -0.43 0.00 -0.04 0.00 0.00 63.50 61.13 1wfj n PRO 133 Cb 0.00 -2.75 -0.06 0.00 -0.04 0.00 0.00 33.50 30.65 1wfj n PRO 133 CO 0.00 0.00 0.00 -1.54 -0.04 0.00 0.00 175.50 173.92 1wfj s SER 134 N 3.25 6.38 0.50 3.54 1.04 -1.26 -5.04 113.70 122.11 1wfj s SER 134 Ca 0.53 -0.17 -0.02 0.00 0.48 0.00 0.00 55.95 56.77 1wfj s SER 134 Cb 0.14 -2.35 -0.00 0.00 0.10 0.00 0.00 66.02 63.90 1wfj s SER 134 CO -0.03 -0.83 0.76 -0.44 0.98 0.00 0.00 173.24 173.69 1wfj s SER 135 N 2.04 5.76 0.00 7.02 0.01 -1.26 -5.18 113.70 122.09 1wfj s SER 135 Ca 0.27 0.48 0.00 0.00 1.31 0.00 0.00 55.95 58.00 1wfj s SER 135 Cb -0.13 -1.63 0.00 0.00 0.21 0.00 0.00 66.02 64.47 1wfj s SER 135 CO 0.20 -0.83 0.00 0.61 0.41 0.00 0.00 173.24 173.63