#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1wfj n SER 2 N 0.00 3.63 -3.71 1.61 7.64 -1.26 -4.98 113.62 116.56 1wfj n SER 2 Ca 0.00 1.05 -0.11 0.00 1.01 0.00 0.00 58.87 60.82 1wfj n SER 2 Cb 0.00 -1.50 -0.11 0.00 -1.01 0.00 0.00 64.21 61.59 1wfj n SER 2 CO 0.00 0.00 0.00 -0.94 -3.01 0.00 0.00 175.04 171.09 1wfj s SER 3 N 1.51 -0.47 0.00 6.43 1.04 -1.26 -5.10 113.70 115.85 1wfj s SER 3 Ca 0.79 0.84 0.00 0.00 0.48 0.00 0.00 55.95 58.06 1wfj s SER 3 Cb -0.58 0.76 0.00 0.00 0.10 0.00 0.00 66.02 66.30 1wfj s SER 3 CO 0.36 -0.17 0.00 0.61 0.98 0.00 0.00 173.24 175.02 1wfj n GLY 4 N 3.84 0.26 5.00 7.32 0.00 -1.26 -5.02 105.19 115.33 1wfj n GLY 4 Ca -0.20 -1.32 0.00 0.00 0.00 0.00 0.00 46.02 44.49 1wfj n GLY 4 CO 0.00 0.00 0.00 -1.26 0.00 0.00 0.00 173.32 172.06 1wfj n SER 5 N 0.00 0.00 -1.45 1.61 2.88 -1.26 -4.84 113.62 110.56 1wfj n SER 5 Ca 0.00 0.00 0.00 0.00 -1.33 0.00 0.00 58.87 57.54 1wfj n SER 5 Cb 0.00 0.00 0.00 0.00 -0.75 0.00 0.00 64.21 63.46 1wfj n SER 5 CO 0.00 0.00 0.00 -1.20 -1.23 0.00 0.00 175.04 172.61 1wfj n SER 6 N 2.89 -7.92 -1.25 -3.46 7.64 -1.26 -5.05 113.62 105.20 1wfj n SER 6 Ca 0.00 1.21 0.00 0.00 1.01 0.00 0.00 58.87 61.09 1wfj n SER 6 Cb 0.00 -4.34 0.00 0.00 -1.01 0.00 0.00 64.21 58.86 1wfj n SER 6 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 1wfj n GLY 7 N -1.09 4.01 0.76 0.23 0.00 -1.26 -5.14 105.19 102.69 1wfj n GLY 7 Ca 0.00 -2.12 -0.06 0.00 0.00 0.00 0.00 46.02 43.84 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 -0.27 -0.85 -3.44 1.61 -0.04 -1.26 -5.11 135.00 125.65 1wfj n PRO 8 Ca 0.00 -0.39 0.02 0.00 -0.04 0.00 0.00 63.50 63.08 1wfj n PRO 8 Cb 0.00 -0.31 -0.05 0.00 -0.04 0.00 0.00 33.50 33.10 1wfj n PRO 8 CO 0.00 0.00 0.00 -3.38 -0.04 0.00 0.00 175.50 172.08 1wfj s HIS 9 N -1.51 -0.30 -0.17 0.54 -3.43 -1.26 -4.66 115.29 104.51 1wfj s HIS 9 Ca 0.15 0.54 0.00 0.00 -0.80 0.00 0.00 55.06 54.95 1wfj s HIS 9 Cb -0.01 0.18 0.00 0.00 -1.43 0.00 0.00 32.58 31.32 1wfj s HIS 9 CO 0.11 -0.15 0.00 0.41 -2.00 0.00 0.00 174.74 173.11 1wfj n GLY 10 N 4.08 -0.74 3.31 -1.38 0.00 -1.23 -3.88 105.19 105.36 1wfj n GLY 10 Ca -0.12 -0.23 -0.29 0.00 0.00 0.00 0.00 46.02 45.38 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 1.98 0.02 2.61 2.01 -0.51 -2.53 115.64 115.22 1wfj s THR 11 Ca 0.00 -1.34 0.04 0.00 0.31 0.00 0.00 61.69 60.71 1wfj s THR 11 Cb 0.00 -1.70 -0.03 0.00 0.01 0.00 0.00 72.50 70.77 1wfj s THR 11 CO 0.00 0.30 -0.09 -0.22 -0.69 0.00 0.00 174.62 173.92 1wfj s LEU 12 N -1.24 3.05 -0.30 4.42 1.98 0.11 0.15 118.68 126.84 1wfj s LEU 12 Ca 0.10 -0.22 0.02 0.00 -2.89 0.00 0.00 54.13 51.14 1wfj s LEU 12 Cb -0.10 -1.76 0.09 0.00 0.66 0.00 0.00 46.19 45.08 1wfj s LEU 12 CO 0.02 0.27 0.04 -0.70 -1.89 0.00 0.00 176.35 174.08 1wfj s GLU 13 N -1.48 1.29 -0.18 1.98 2.12 -0.99 -1.08 118.70 120.36 1wfj s GLU 13 Ca 0.17 -1.39 -0.18 0.00 0.36 0.00 0.00 54.97 53.92 1wfj s GLU 13 Cb -0.11 -2.67 -0.03 0.00 0.26 0.00 0.00 34.13 31.58 1wfj s GLU 13 CO 0.08 -0.86 0.51 0.08 -0.54 0.00 0.00 175.26 174.52 1wfj s VAL 14 N 1.25 5.13 -0.68 3.70 1.01 0.13 0.56 120.40 131.51 1wfj s VAL 14 Ca 0.06 0.95 0.01 0.00 0.00 0.00 0.00 61.98 63.00 1wfj s VAL 14 Cb -0.18 -3.83 0.17 0.00 0.00 0.00 0.00 36.38 32.53 1wfj s VAL 14 CO -0.13 0.21 0.48 -0.69 0.00 0.00 0.00 175.10 174.98 1wfj s VAL 15 N 1.39 3.42 -0.91 2.92 1.01 0.57 0.32 120.40 129.11 1wfj s VAL 15 Ca 0.24 -3.52 -0.24 0.00 0.00 0.00 0.00 61.98 58.46 1wfj s VAL 15 Cb -0.15 -3.23 -0.04 0.00 0.00 0.00 0.00 36.38 32.96 1wfj s VAL 15 CO 0.10 -0.93 1.91 -0.22 0.00 0.00 0.00 175.10 175.96 1wfj s LEU 16 N -0.69 3.19 0.00 3.92 2.96 -1.15 -1.98 118.68 124.92 1wfj s LEU 16 Ca 0.21 -0.74 0.00 0.00 -0.22 0.00 0.00 54.13 53.38 1wfj s LEU 16 Cb -0.16 -2.56 0.00 0.00 0.50 0.00 0.00 46.19 43.97 1wfj s LEU 16 CO -0.07 -2.66 0.04 0.52 -1.32 0.00 0.00 176.35 172.86 1wfj n VAL 17 N 7.81 0.00 -3.56 1.68 0.31 -0.86 0.44 118.33 124.15 1wfj n VAL 17 Ca 0.40 0.47 -0.01 0.00 -0.01 0.00 0.00 64.34 65.18 1wfj n VAL 17 Cb 0.47 -1.31 -0.00 0.00 -0.91 0.00 0.00 33.84 32.09 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 -0.05 -0.12 -3.73 4.52 3.41 -1.17 0.57 113.62 117.05 1wfj n SER 18 Ca 0.00 -1.15 -0.12 0.00 -0.26 0.00 0.00 58.87 57.34 1wfj n SER 18 Cb 0.00 0.22 -0.11 0.00 -0.26 0.00 0.00 64.21 64.06 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 -1.61 -0.91 0.12 7.33 0.00 -0.97 0.88 121.76 126.59 1wfj s ALA 19 Ca 0.02 1.18 0.10 0.00 0.00 0.00 0.00 51.96 53.26 1wfj s ALA 19 Cb -0.00 -0.71 -0.04 0.00 0.00 0.00 0.00 23.12 22.37 1wfj s ALA 19 CO 0.02 -0.20 -0.24 0.15 0.00 0.00 0.00 175.76 175.48 1wfj s LYS 20 N 0.69 1.27 0.32 0.00 1.02 -0.57 -3.46 119.74 119.02 1wfj s LYS 20 Ca -0.04 -1.27 0.05 0.00 0.02 0.00 0.00 55.97 54.73 1wfj s LYS 20 Cb -0.05 -1.65 0.05 0.00 -0.52 0.00 0.00 37.83 35.66 1wfj s LYS 20 CO -0.05 0.38 0.42 0.41 -0.92 0.00 0.00 175.35 175.60 1wfj n GLY 21 N 0.95 2.07 0.00 -3.33 0.00 -1.25 -1.35 105.19 102.28 1wfj n GLY 21 Ca -0.18 -2.19 0.00 0.00 0.00 0.00 0.00 46.02 43.64 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 -0.13 0.99 7.99 -1.26 -4.87 117.00 119.73 1wfj n LEU 22 Ca 0.08 0.00 -0.18 0.00 -0.01 0.00 0.00 56.01 55.90 1wfj n LEU 22 Cb 0.34 0.00 -0.12 0.00 -0.11 0.00 0.00 43.42 43.53 1wfj n LEU 22 CO 0.22 -0.00 -1.32 -1.84 -1.51 0.00 0.00 177.39 172.93 1wfj n GLU 23 N 0.00 0.63 -2.87 3.23 0.28 -1.26 -4.60 120.64 116.05 1wfj n GLU 23 Ca 0.00 0.15 -0.32 0.00 -0.16 0.00 0.00 57.16 56.83 1wfj n GLU 23 Cb 0.00 -1.50 -0.02 0.00 1.43 0.00 0.00 31.44 31.35 1wfj n GLU 23 CO 0.00 0.00 0.00 -0.25 -0.16 0.00 0.00 177.13 176.72 1wfj n ASP 24 N -3.27 5.41 -3.74 -1.84 8.00 -1.26 -4.98 116.55 114.88 1wfj n ASP 24 Ca -0.45 -3.67 -0.13 0.00 0.71 0.00 0.00 54.79 51.25 1wfj n ASP 24 Cb 0.97 -0.77 -0.13 0.00 -0.02 0.00 0.00 41.12 41.17 1wfj n ASP 24 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 1wfj s ALA 25 N -3.69 -0.50 -0.34 2.24 0.00 -1.26 -5.02 121.76 113.19 1wfj s ALA 25 Ca 0.45 0.88 0.00 0.00 0.00 0.00 0.00 51.96 53.30 1wfj s ALA 25 Cb 0.24 -0.56 0.32 0.00 0.00 0.00 0.00 23.12 23.12 1wfj s ALA 25 CO -0.12 -0.18 1.82 -3.47 0.00 0.00 0.00 175.76 173.81 1wfj n ASP 26 N 4.06 5.33 -4.69 0.00 2.03 -1.26 -4.74 116.55 117.27 1wfj n ASP 26 Ca -0.24 -3.11 -0.41 0.00 0.52 0.00 0.00 54.79 51.56 1wfj n ASP 26 Cb 0.53 -0.89 -0.04 0.00 -0.72 0.00 0.00 41.12 39.99 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 -2.13 3.49 -1.35 -0.67 5.36 -1.26 -3.48 117.98 117.94 1wfj s PHE 27 Ca 0.36 1.23 0.00 0.00 -0.96 0.00 0.00 56.93 57.56 1wfj s PHE 27 Cb 0.29 -2.90 0.00 0.00 -0.34 0.00 0.00 43.02 40.07 1wfj s PHE 27 CO 0.02 -0.08 0.00 1.28 -1.46 0.00 0.00 175.22 174.98 1wfj n LEU 28 N 4.54 -1.38 0.00 6.12 4.32 -1.26 -4.67 117.00 124.66 1wfj n LEU 28 Ca 0.01 0.15 0.00 0.00 -0.02 0.00 0.00 56.01 56.15 1wfj n LEU 28 Cb 0.50 -2.14 0.00 0.00 -1.62 0.00 0.00 43.42 40.16 1wfj n LEU 28 CO 0.47 -0.41 0.00 -3.20 -1.22 0.00 0.00 177.39 173.03 1wfj n ASN 29 N -0.54 0.00 -4.22 -1.43 2.85 -1.23 -3.18 115.26 107.51 1wfj n ASN 29 Ca -0.16 0.00 -0.32 0.00 -0.11 0.00 0.00 54.58 54.00 1wfj n ASN 29 Cb 0.56 0.00 -0.07 0.00 1.24 0.00 0.00 39.78 41.50 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 2.47 -1.61 1.20 4.13 -1.26 -4.44 115.26 115.74 1wfj n ASN 30 Ca 0.00 -2.64 -0.04 0.00 1.68 0.00 0.00 54.58 53.57 1wfj n ASN 30 Cb 0.00 -1.45 -0.01 0.00 -1.54 0.00 0.00 39.78 36.78 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 7.90 0.21 -3.21 3.52 0.00 -1.26 -5.10 117.12 119.19 1wfj n MET 31 Ca 0.46 -0.86 -0.24 0.00 0.00 0.00 0.00 57.70 57.06 1wfj n MET 31 Cb 0.45 0.82 -0.06 0.00 0.00 0.00 0.00 33.22 34.43 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 -1.99 1.78 -4.81 3.17 9.92 -1.26 -4.24 116.55 119.13 1wfj n ASP 32 Ca 0.00 -3.08 -0.30 0.00 -0.53 0.00 0.00 54.79 50.88 1wfj n ASP 32 Cb 0.18 -0.63 0.08 0.00 -0.64 0.00 0.00 41.12 40.11 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 -2.11 2.25 -0.09 -0.24 0.04 -1.26 -1.03 135.00 132.56 1wfj s PRO 33 Ca 0.39 0.70 -0.10 0.00 0.04 0.00 0.00 61.00 62.03 1wfj s PRO 33 Cb 0.22 -1.93 0.02 0.00 0.04 0.00 0.00 34.50 32.86 1wfj s PRO 33 CO -0.08 -1.52 0.27 1.52 0.04 0.00 0.00 177.00 177.22 1wfj s TYR 34 N -3.14 -0.27 0.12 0.56 1.13 -0.47 -2.55 117.35 112.73 1wfj s TYR 34 Ca 0.60 0.64 -0.12 0.00 -1.41 0.00 0.00 57.07 56.78 1wfj s TYR 34 Cb -0.14 0.09 -0.06 0.00 -1.10 0.00 0.00 41.96 40.75 1wfj s TYR 34 CO 0.54 -0.17 0.49 0.08 -2.51 0.00 0.00 175.55 173.98 1wfj s VAL 35 N -0.08 4.95 -0.37 -3.49 1.01 -1.26 -1.46 120.40 119.71 1wfj s VAL 35 Ca -0.02 0.66 0.01 0.00 0.00 0.00 0.00 61.98 62.63 1wfj s VAL 35 Cb -0.03 -3.70 0.11 0.00 0.00 0.00 0.00 36.38 32.77 1wfj s VAL 35 CO 0.01 0.25 0.15 -1.58 0.00 0.00 0.00 175.10 173.92 1wfj s GLN 36 N -1.98 1.07 0.70 2.72 0.74 -0.85 -0.94 119.66 121.12 1wfj s GLN 36 Ca 0.36 -1.57 -0.14 0.00 0.05 0.00 0.00 55.36 54.06 1wfj s GLN 36 Cb -0.14 -2.33 0.02 0.00 1.10 0.00 0.00 33.01 31.66 1wfj s GLN 36 CO 0.19 -1.05 1.12 -0.51 -0.55 0.00 0.00 175.29 174.49 1wfj s LEU 37 N 1.00 3.29 -0.13 3.68 2.01 -0.15 -3.33 118.68 125.05 1wfj s LEU 37 Ca 0.13 2.02 -0.09 0.00 0.01 0.00 0.00 54.13 56.19 1wfj s LEU 37 Cb -0.20 -4.55 0.04 0.00 0.01 0.00 0.00 46.19 41.49 1wfj s LEU 37 CO -0.13 -1.85 0.33 -0.89 1.01 0.00 0.00 176.35 174.83 1wfj s THR 38 N -2.42 -0.02 -0.22 5.49 2.01 -0.48 -0.73 115.64 119.27 1wfj s THR 38 Ca 0.67 0.06 -0.02 0.00 0.31 0.00 0.00 61.69 62.71 1wfj s THR 38 Cb -0.21 -0.49 0.07 0.00 0.01 0.00 0.00 72.50 71.88 1wfj s THR 38 CO 0.45 0.03 0.05 0.00 -0.69 0.00 0.00 174.62 174.46 1wfj n ARG 40 N 5.01 0.00 -0.36 0.00 5.12 -1.26 -0.85 116.66 124.33 1wfj n ARG 40 Ca -0.08 0.00 0.00 0.00 -1.93 0.00 0.00 57.85 55.85 1wfj n ARG 40 Cb 0.46 0.00 0.01 0.00 -1.16 0.00 0.00 32.46 31.76 1wfj n ARG 40 CO 0.00 0.00 0.00 0.25 -1.93 0.00 0.00 177.63 175.95 1wfj n THR 41 N 0.00 0.09 -3.92 0.55 -2.24 -1.26 -5.04 114.28 102.47 1wfj n THR 41 Ca 0.00 -0.11 -0.35 0.00 -2.27 0.00 0.00 64.05 61.32 1wfj n THR 41 Cb 0.00 0.59 -0.14 0.00 -2.10 0.00 0.00 70.33 68.68 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 -0.14 2.85 0.07 -0.78 -2.07 -0.03 -5.10 119.66 114.46 1wfj s GLN 42 Ca 0.01 -0.98 0.04 0.00 -1.82 0.00 0.00 55.36 52.62 1wfj s GLN 42 Cb 0.01 -3.06 -0.04 0.00 -1.09 0.00 0.00 33.01 28.83 1wfj s GLN 42 CO 0.00 -0.42 -0.00 0.16 -1.32 0.00 0.00 175.29 173.71 1wfj s ASP 43 N 1.35 5.02 -0.19 12.60 1.47 -1.26 -0.08 116.67 135.58 1wfj s ASP 43 Ca 0.00 -0.15 -0.07 0.00 1.18 0.00 0.00 52.55 53.51 1wfj s ASP 43 Cb -0.17 -1.22 0.08 0.00 -0.34 0.00 0.00 42.92 41.28 1wfj s ASP 43 CO -0.03 0.20 0.42 -1.10 0.68 0.00 0.00 175.17 175.34 1wfj s GLN 44 N -2.13 0.34 0.47 2.11 -0.21 0.09 -4.99 119.66 115.34 1wfj s GLN 44 Ca 0.24 0.98 -0.06 0.00 0.02 0.00 0.00 55.36 56.54 1wfj s GLN 44 Cb -0.12 0.24 -0.04 0.00 1.00 0.00 0.00 33.01 34.10 1wfj s GLN 44 CO 0.16 -0.23 0.78 0.15 -2.12 0.00 0.00 175.29 174.03 1wfj s LYS 45 N 2.32 3.57 0.38 2.91 1.02 -1.26 -0.98 119.74 127.70 1wfj s LYS 45 Ca -0.04 0.23 0.08 0.00 0.02 0.00 0.00 55.97 56.27 1wfj s LYS 45 Cb -0.11 -2.38 -0.04 0.00 -0.52 0.00 0.00 37.83 34.78 1wfj s LYS 45 CO -0.13 -0.18 0.20 0.45 -0.92 0.00 0.00 175.35 174.78 1wfj s SER 46 N -3.97 4.70 0.79 2.83 0.15 -0.11 -4.94 113.70 113.14 1wfj s SER 46 Ca 0.48 -0.85 -0.16 0.00 0.70 0.00 0.00 55.95 56.12 1wfj s SER 46 Cb -0.10 -0.64 -0.06 0.00 -1.71 0.00 0.00 66.02 63.52 1wfj s SER 46 CO 0.43 -0.44 0.21 0.59 1.20 0.00 0.00 173.24 175.23 1wfj n ASN 47 N -1.26 -2.46 -4.67 5.45 3.02 -1.26 -4.65 115.26 109.43 1wfj n ASN 47 Ca -0.01 0.48 -0.40 0.00 -0.03 0.00 0.00 54.58 54.62 1wfj n ASN 47 Cb 0.62 -1.10 -0.05 0.00 -0.61 0.00 0.00 39.78 38.64 1wfj n ASN 47 CO 0.00 0.00 0.00 -0.69 -2.62 0.00 0.00 177.26 173.95 1wfj s VAL 48 N -2.03 5.01 -1.12 2.41 1.01 -1.26 -4.69 120.40 119.73 1wfj s VAL 48 Ca 0.59 1.27 -0.23 0.00 0.00 0.00 0.00 61.98 63.60 1wfj s VAL 48 Cb -0.31 -3.98 -0.09 0.00 0.00 0.00 0.00 36.38 32.00 1wfj s VAL 48 CO 0.65 0.13 1.96 0.00 0.00 0.00 0.00 175.10 177.83 1wfj s ALA 49 N 1.75 1.65 -0.32 5.51 0.00 -1.06 -4.89 121.76 124.40 1wfj s ALA 49 Ca 0.31 -1.97 -0.29 0.00 0.00 0.00 0.00 51.96 50.01 1wfj s ALA 49 Cb -0.16 -4.66 0.00 0.00 0.00 0.00 0.00 23.12 18.31 1wfj s ALA 49 CO 0.11 -5.31 1.30 -1.21 0.00 0.00 0.00 175.76 170.65 1wfj s GLU 50 N 6.76 3.88 -0.70 0.00 2.02 -1.26 -4.05 118.70 125.35 1wfj s GLU 50 Ca 0.70 1.18 -0.11 0.00 0.02 0.00 0.00 54.97 56.76 1wfj s GLU 50 Cb -0.02 -3.89 0.02 0.00 0.10 0.00 0.00 34.13 30.33 1wfj s GLU 50 CO 0.11 -1.17 0.63 0.41 0.02 0.00 0.00 175.26 175.26 1wfj n GLY 51 N 4.40 -0.92 0.01 -1.39 0.00 -1.26 -4.91 105.19 101.12 1wfj n GLY 51 Ca 0.15 0.77 0.01 0.00 0.00 0.00 0.00 46.02 46.95 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 -1.78 1.22 0.00 1.61 2.81 -1.26 -5.13 117.12 114.60 1wfj n MET 52 Ca -0.20 -0.03 0.00 0.00 -1.81 0.00 0.00 57.70 55.66 1wfj n MET 52 Cb 0.66 -1.12 0.00 0.00 -0.71 0.00 0.00 33.22 32.05 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 2.40 -0.28 1.42 3.03 0.00 -1.26 -4.20 105.19 106.29 1wfj n GLY 53 Ca -0.03 -1.73 -0.07 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 1.76 -2.85 2.61 -2.24 -1.19 -4.23 114.28 108.14 1wfj n THR 54 Ca 0.00 -0.75 -0.12 0.00 -2.27 0.00 0.00 64.05 60.91 1wfj n THR 54 Cb 0.00 -0.70 0.02 0.00 -2.10 0.00 0.00 70.33 67.55 1wfj n THR 54 CO 0.00 0.00 0.00 0.35 -0.57 0.00 0.00 175.07 174.85 1wfj n THR 55 N -0.09 -0.16 -2.43 4.28 -2.24 -1.26 -3.81 114.28 108.56 1wfj n THR 55 Ca 0.22 -2.08 -0.42 0.00 -2.27 0.00 0.00 64.05 59.50 1wfj n THR 55 Cb 0.92 0.70 -0.03 0.00 -2.10 0.00 0.00 70.33 69.82 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 0.27 4.31 -0.08 -0.78 0.04 -1.22 -4.85 135.00 132.68 1wfj s PRO 56 Ca 0.33 1.69 0.02 0.00 0.04 0.00 0.00 61.00 63.08 1wfj s PRO 56 Cb 0.21 -3.63 -0.03 0.00 0.04 0.00 0.00 34.50 31.10 1wfj s PRO 56 CO -0.22 -0.54 -0.11 -2.00 0.04 0.00 0.00 177.00 174.17 1wfj s GLU 57 N 2.65 2.80 -0.11 4.56 2.12 -1.26 -2.30 118.70 127.17 1wfj s GLU 57 Ca 0.56 -0.64 -0.05 0.00 0.36 0.00 0.00 54.97 55.20 1wfj s GLU 57 Cb -0.24 -2.52 -0.05 0.00 0.26 0.00 0.00 34.13 31.58 1wfj s GLU 57 CO 0.20 0.54 -0.14 0.91 -0.54 0.00 0.00 175.26 176.24 1wfj n TRP 58 N 2.57 0.00 -3.85 5.30 8.01 0.19 -4.92 117.44 124.74 1wfj n TRP 58 Ca -0.18 0.00 -0.29 0.00 -1.31 0.00 0.00 57.50 55.73 1wfj n TRP 58 Cb 0.53 -0.38 0.04 0.00 -2.01 0.00 0.00 31.31 29.48 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 -3.45 -4.91 -3.45 -0.99 3.02 0.17 -4.97 115.26 100.68 1wfj n ASN 59 Ca -0.21 -0.74 -0.11 0.00 -0.03 0.00 0.00 54.58 53.49 1wfj n ASN 59 Cb 0.65 -4.09 0.05 0.00 -0.61 0.00 0.00 39.78 35.78 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 -4.73 0.50 -3.61 3.52 -0.58 -1.00 -4.93 120.64 109.81 1wfj n GLU 60 Ca 0.02 -1.54 -0.16 0.00 -0.42 0.00 0.00 57.16 55.06 1wfj n GLU 60 Cb 0.54 -0.25 -0.14 0.00 -0.57 0.00 0.00 31.44 31.02 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 -1.23 -0.35 -0.15 2.62 2.01 -1.26 -2.96 115.64 114.32 1wfj s THR 61 Ca 0.34 0.19 0.01 0.00 0.31 0.00 0.00 61.69 62.54 1wfj s THR 61 Cb -0.02 -0.47 0.01 0.00 0.01 0.00 0.00 72.50 72.02 1wfj s THR 61 CO 0.22 0.04 -0.18 -0.36 -0.69 0.00 0.00 174.62 173.64 1wfj s PHE 62 N 2.36 2.73 0.17 4.92 0.08 0.15 -4.94 117.98 123.45 1wfj s PHE 62 Ca 0.03 -1.24 -0.05 0.00 0.12 0.00 0.00 56.93 55.80 1wfj s PHE 62 Cb -0.13 -1.86 -0.06 0.00 -0.57 0.00 0.00 43.02 40.40 1wfj s PHE 62 CO -0.09 -0.57 0.41 0.42 -0.10 0.00 0.00 175.22 175.29 1wfj s ILE 63 N 0.88 5.13 -0.05 0.64 -1.09 -1.26 0.19 121.20 125.63 1wfj s ILE 63 Ca -0.05 0.05 -0.11 0.00 -2.23 0.00 0.00 60.65 58.31 1wfj s ILE 63 Cb -0.15 -3.64 0.02 0.00 -1.58 0.00 0.00 42.46 37.11 1wfj s ILE 63 CO -0.02 -0.03 0.26 -0.36 -1.23 0.00 0.00 174.94 173.56 1wfj s PHE 64 N -1.74 -0.19 -0.34 3.97 0.08 -0.24 -4.96 117.98 114.56 1wfj s PHE 64 Ca 0.42 0.40 -0.16 0.00 0.12 0.00 0.00 56.93 57.72 1wfj s PHE 64 Cb -0.12 0.07 -0.01 0.00 -0.57 0.00 0.00 43.02 42.39 1wfj s PHE 64 CO 0.25 -0.26 0.39 0.99 -0.10 0.00 0.00 175.22 176.49 1wfj s THR 65 N -0.68 5.14 0.08 0.64 2.01 -1.26 0.06 115.64 121.63 1wfj s THR 65 Ca -0.08 0.14 -0.03 0.00 0.31 0.00 0.00 61.69 62.03 1wfj s THR 65 Cb -0.04 -3.84 -0.05 0.00 0.01 0.00 0.00 72.50 68.58 1wfj s THR 65 CO 0.02 -0.10 0.28 -0.69 -0.69 0.00 0.00 174.62 173.45 1wfj s VAL 66 N 2.09 5.29 0.00 3.82 1.01 -1.05 -4.85 120.40 126.70 1wfj s VAL 66 Ca 0.13 -0.11 0.00 0.00 0.00 0.00 0.00 61.98 62.00 1wfj s VAL 66 Cb -0.16 -3.61 0.00 0.00 0.00 0.00 0.00 36.38 32.60 1wfj s VAL 66 CO 0.12 0.15 0.00 -0.24 0.00 0.00 0.00 175.10 175.13 1wfj n SER 67 N 0.39 0.00 -3.23 3.32 2.88 -1.26 -3.49 113.62 112.22 1wfj n SER 67 Ca -0.05 0.00 0.00 0.00 -1.33 0.00 0.00 58.87 57.49 1wfj n SER 67 Cb 0.52 0.00 0.00 0.00 -0.75 0.00 0.00 64.21 63.98 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 -0.73 1.63 -0.41 -1.46 0.00 -1.26 -4.87 120.64 113.53 1wfj n GLU 68 Ca 0.00 0.00 -0.04 0.00 0.00 0.00 0.00 57.16 57.12 1wfj n GLU 68 Cb 0.00 0.00 0.10 0.00 0.00 0.00 0.00 31.44 31.54 1wfj n GLU 68 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.13 177.54 1wfj n GLY 69 N 3.83 2.56 3.47 8.31 0.00 -1.26 -4.81 105.19 117.30 1wfj n GLY 69 Ca 0.00 -0.38 -0.43 0.00 0.00 0.00 0.00 46.02 45.21 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 -1.43 4.31 -0.29 2.61 2.01 -1.26 -4.85 115.64 116.74 1wfj s THR 70 Ca 0.21 -0.17 0.08 0.00 0.31 0.00 0.00 61.69 62.12 1wfj s THR 70 Cb 0.17 -4.66 0.46 0.00 0.01 0.00 0.00 72.50 68.48 1wfj s THR 70 CO 0.05 -1.39 1.18 0.35 -0.69 0.00 0.00 174.62 174.12 1wfj n THR 71 N 6.01 2.45 -3.65 -0.82 -2.24 -1.26 -4.80 114.28 109.96 1wfj n THR 71 Ca -0.02 -4.16 -0.01 0.00 -2.27 0.00 0.00 64.05 57.59 1wfj n THR 71 Cb 0.46 -0.99 -0.07 0.00 -2.10 0.00 0.00 70.33 67.63 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 -3.61 0.08 -0.03 -0.78 -1.05 -1.26 -1.81 118.70 110.24 1wfj s GLU 72 Ca 0.49 0.11 -0.10 0.00 -0.15 0.00 0.00 54.97 55.33 1wfj s GLU 72 Cb 0.40 0.03 -0.05 0.00 -0.44 0.00 0.00 34.13 34.08 1wfj s GLU 72 CO 0.03 -0.01 0.28 -1.17 0.95 0.00 0.00 175.26 175.34 1wfj s LEU 73 N 0.43 4.41 -0.21 1.83 2.96 1.18 -4.85 118.68 124.43 1wfj s LEU 73 Ca 0.01 0.69 -0.08 0.00 -0.22 0.00 0.00 54.13 54.54 1wfj s LEU 73 Cb -0.04 -2.46 -0.04 0.00 0.50 0.00 0.00 46.19 44.15 1wfj s LEU 73 CO -0.13 0.33 0.08 -0.54 -1.32 0.00 0.00 176.35 174.76 1wfj s LYS 74 N -1.28 3.86 -0.35 1.98 3.01 -1.10 -0.70 119.74 125.17 1wfj s LYS 74 Ca 0.22 -0.39 0.03 0.00 -1.01 0.00 0.00 55.97 54.82 1wfj s LYS 74 Cb -0.14 -3.29 0.10 0.00 -1.01 0.00 0.00 37.83 33.49 1wfj s LYS 74 CO 0.11 0.07 0.08 0.00 0.51 0.00 0.00 175.35 176.12 1wfj s ALA 75 N 0.93 2.58 -0.25 5.17 0.00 -0.94 -1.38 121.76 127.86 1wfj s ALA 75 Ca 0.04 -2.38 -0.10 0.00 0.00 0.00 0.00 51.96 49.52 1wfj s ALA 75 Cb -0.14 -1.90 -0.05 0.00 0.00 0.00 0.00 23.12 21.04 1wfj s ALA 75 CO 0.03 -1.71 0.16 0.15 0.00 0.00 0.00 175.76 174.39 1wfj s LYS 76 N 0.99 4.01 0.15 0.00 1.02 -1.21 -1.27 119.74 123.43 1wfj s LYS 76 Ca 0.11 -0.30 -0.16 0.00 0.02 0.00 0.00 55.97 55.65 1wfj s LYS 76 Cb -0.19 -3.57 -0.07 0.00 -0.52 0.00 0.00 37.83 33.48 1wfj s LYS 76 CO -0.11 -0.03 0.58 0.42 -0.92 0.00 0.00 175.35 175.29 1wfj s ILE 77 N 1.30 4.79 0.02 2.17 1.09 0.25 -2.01 121.20 128.81 1wfj s ILE 77 Ca 0.07 0.96 0.00 0.00 -1.10 0.00 0.00 60.65 60.59 1wfj s ILE 77 Cb -0.14 -3.78 -0.00 0.00 -1.06 0.00 0.00 42.46 37.48 1wfj s ILE 77 CO 0.07 0.29 0.02 0.49 -0.10 0.00 0.00 174.94 175.70 1wfj n PHE 78 N 0.93 -0.19 -5.25 3.97 3.72 -0.53 -0.24 117.46 119.87 1wfj n PHE 78 Ca -0.06 -0.17 -0.32 0.00 -0.05 0.00 0.00 57.45 56.86 1wfj n PHE 78 Cb 0.52 0.02 -0.17 0.00 -0.94 0.00 0.00 39.48 38.91 1wfj n PHE 78 CO 0.00 0.00 0.00 -0.51 -0.05 0.00 0.00 176.76 176.20 1wfj s ASP 79 N -1.14 3.08 0.45 4.37 1.11 -1.26 -1.37 116.67 121.91 1wfj s ASP 79 Ca 0.02 -0.53 0.30 0.00 0.18 0.00 0.00 52.55 52.52 1wfj s ASP 79 Cb 0.00 -1.08 1.40 0.00 1.07 0.00 0.00 42.92 44.31 1wfj s ASP 79 CO 0.02 0.21 1.66 0.50 1.18 0.00 0.00 175.17 178.74 1wfj h LYS 80 N 6.34 0.13 -1.53 8.23 3.64 -1.39 1.67 116.57 133.65 1wfj h LYS 80 Ca -0.26 -0.01 -0.40 0.00 -1.27 0.00 0.00 60.65 58.71 1wfj h LYS 80 Cb 1.20 -0.03 -0.16 0.00 -0.41 0.00 0.00 32.23 32.83 1wfj h LYS 80 CO 0.47 0.08 0.48 -0.25 -2.27 0.00 0.00 179.45 177.96 1wfj n ASP 81 N -4.58 6.64 -3.55 4.20 8.00 -1.26 -4.83 116.55 121.16 1wfj n ASP 81 Ca 0.35 -3.19 -0.15 0.00 0.71 0.00 0.00 54.79 52.51 1wfj n ASP 81 Cb 1.36 -1.07 -0.05 0.00 -0.02 0.00 0.00 41.12 41.33 1wfj n ASP 81 CO 0.00 0.00 0.00 -0.69 -0.39 0.00 0.00 177.20 176.12 1wfj s VAL 82 N -2.64 0.02 -0.15 2.53 1.01 0.57 -5.13 120.40 116.61 1wfj s VAL 82 Ca 0.40 -0.17 -0.10 0.00 0.00 0.00 0.00 61.98 62.11 1wfj s VAL 82 Cb 0.30 -0.96 -0.05 0.00 0.00 0.00 0.00 36.38 35.67 1wfj s VAL 82 CO -0.04 -0.09 0.18 -0.83 0.00 0.00 0.00 175.10 174.32 1wfj s GLY 83 N -1.81 2.14 0.36 4.51 0.00 -1.26 -4.65 107.32 106.62 1wfj s GLY 83 Ca -0.07 -0.60 0.27 0.00 0.00 0.00 0.00 44.72 44.32 1wfj s GLY 83 CO 0.01 0.01 1.30 -1.30 0.00 0.00 0.00 173.10 173.11 1wfj n THR 84 N 2.86 -0.21 -2.27 0.90 -2.24 -1.26 0.17 114.28 112.23 1wfj n THR 84 Ca -0.17 1.50 -0.39 0.00 -2.27 0.00 0.00 64.05 62.73 1wfj n THR 84 Cb 0.53 -2.46 0.03 0.00 -2.10 0.00 0.00 70.33 66.32 1wfj n THR 84 CO 0.00 0.00 0.00 -0.62 -0.57 0.00 0.00 175.07 173.88 1wfj n GLU 85 N -4.37 3.83 0.04 -0.78 1.02 -1.26 -4.49 120.64 114.62 1wfj n GLU 85 Ca 0.33 -4.07 0.00 0.00 -0.02 0.00 0.00 57.16 53.40 1wfj n GLU 85 Cb 1.30 -2.34 0.00 0.00 -0.02 0.00 0.00 31.44 30.38 1wfj n GLU 85 CO 0.00 0.00 0.00 -3.47 1.18 0.00 0.00 177.13 174.84 1wfj n ASP 86 N -0.34 -0.01 -3.43 1.62 -0.08 0.44 -5.12 116.55 109.62 1wfj n ASP 86 Ca 0.49 0.15 0.01 0.00 -1.51 0.00 0.00 54.79 53.93 1wfj n ASP 86 Cb 0.28 0.11 -0.04 0.00 2.34 0.00 0.00 41.12 43.80 1wfj n ASP 86 CO 0.00 0.00 0.00 -0.62 0.12 0.00 0.00 177.20 176.70 1wfj s ASP 87 N -4.43 -0.71 -0.33 1.67 -1.08 -1.24 -5.03 116.67 105.53 1wfj s ASP 87 Ca 0.00 0.93 -0.17 0.00 -0.52 0.00 0.00 52.55 52.79 1wfj s ASP 87 Cb 0.00 1.79 -0.01 0.00 -1.46 0.00 0.00 42.92 43.24 1wfj s ASP 87 CO 0.00 -0.14 0.45 0.00 0.52 0.00 0.00 175.17 176.01 1wfj s ALA 88 N 2.57 3.50 0.56 3.66 0.00 -1.26 -4.49 121.76 126.30 1wfj s ALA 88 Ca -0.03 -1.01 0.49 0.00 0.00 0.00 0.00 51.96 51.42 1wfj s ALA 88 Cb -0.08 -2.91 1.72 0.00 0.00 0.00 0.00 23.12 21.85 1wfj s ALA 88 CO -0.18 -1.07 1.59 -0.39 0.00 0.00 0.00 175.76 175.72 1wfj h VAL 89 N 5.55 0.04 -2.08 0.00 -1.51 -0.89 -3.43 116.25 113.92 1wfj h VAL 89 Ca -0.29 -0.00 0.37 0.00 -1.23 0.00 0.00 66.70 65.55 1wfj h VAL 89 Cb 1.14 0.04 -0.07 0.00 -2.13 0.00 0.00 31.29 30.27 1wfj h VAL 89 CO 0.73 0.00 0.94 0.61 -1.23 0.00 0.00 177.57 178.62 1wfj n GLY 90 N -1.90 0.16 3.55 5.19 0.00 -1.14 -4.77 105.19 106.28 1wfj n GLY 90 Ca 0.43 -1.03 -0.10 0.00 0.00 0.00 0.00 46.02 45.32 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 -2.01 1.58 -0.14 1.61 4.04 0.68 0.84 118.70 125.30 1wfj s GLU 91 Ca 0.31 -1.36 -0.23 0.00 0.04 0.00 0.00 54.97 53.73 1wfj s GLU 91 Cb -0.00 0.45 0.06 0.00 0.02 0.00 0.00 34.13 34.65 1wfj s GLU 91 CO -0.02 -0.65 0.58 0.00 -1.84 0.00 0.00 175.26 173.33 1wfj s ALA 92 N -3.86 -1.46 -0.35 -0.84 0.00 -0.39 -1.43 121.76 113.43 1wfj s ALA 92 Ca 0.25 1.38 -0.10 0.00 0.00 0.00 0.00 51.96 53.49 1wfj s ALA 92 Cb -0.00 -0.55 0.01 0.00 0.00 0.00 0.00 23.12 22.59 1wfj s ALA 92 CO 0.11 -0.30 0.18 0.99 0.00 0.00 0.00 175.76 176.74 1wfj s THR 93 N -0.35 4.58 -0.45 0.00 2.01 -1.26 -2.22 115.64 117.95 1wfj s THR 93 Ca -0.05 -0.69 -0.09 0.00 0.31 0.00 0.00 61.69 61.17 1wfj s THR 93 Cb -0.03 -3.47 0.10 0.00 0.01 0.00 0.00 72.50 69.11 1wfj s THR 93 CO 0.04 -0.12 0.31 -0.63 -0.69 0.00 0.00 174.62 173.53 1wfj s ILE 94 N 1.58 4.19 0.19 1.82 1.01 0.13 -4.93 121.20 125.19 1wfj s ILE 94 Ca 0.03 -1.63 -0.30 0.00 0.00 0.00 0.00 60.65 58.75 1wfj s ILE 94 Cb -0.18 -3.68 -0.08 0.00 0.01 0.00 0.00 42.46 38.53 1wfj s ILE 94 CO 0.06 -0.66 1.12 -2.16 0.00 0.00 0.00 174.94 173.30 1wfj s PRO 95 N 1.38 4.58 0.00 2.79 0.04 -1.26 0.37 135.00 142.90 1wfj s PRO 95 Ca 0.05 1.75 0.23 0.00 0.04 0.00 0.00 61.00 63.06 1wfj s PRO 95 Cb -0.25 -3.26 0.53 0.00 0.04 0.00 0.00 34.50 31.56 1wfj s PRO 95 CO 0.00 0.06 1.45 1.28 0.04 0.00 0.00 177.00 179.83 1wfj n LEU 96 N 2.30 2.73 -0.34 -3.56 4.77 -0.75 -4.20 117.00 117.95 1wfj n LEU 96 Ca 0.03 -1.13 -0.03 0.00 -0.03 0.00 0.00 56.01 54.85 1wfj n LEU 96 Cb 0.46 -0.16 0.09 0.00 -2.33 0.00 0.00 43.42 41.47 1wfj n LEU 96 CO 0.54 0.56 1.23 -0.08 -1.33 0.00 0.00 177.39 178.32 1wfj h GLU 97 N 3.67 1.21 0.00 3.23 4.81 -1.92 0.38 114.58 125.96 1wfj h GLU 97 Ca 0.00 -0.09 -0.15 0.00 -0.13 0.00 0.00 59.36 58.99 1wfj h GLU 97 Cb 0.80 -0.26 -0.02 0.00 0.63 0.00 0.00 28.75 29.90 1wfj h GLU 97 CO 0.00 0.83 -0.72 -1.00 -0.73 0.00 0.00 179.01 177.39 1wfj h PRO 98 N 1.24 0.00 -0.00 0.92 0.13 -1.93 -2.05 132.00 130.30 1wfj h PRO 98 Ca 0.33 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.46 1wfj h PRO 98 Cb -0.10 0.00 0.00 0.00 0.13 0.00 0.00 31.00 31.03 1wfj h PRO 98 CO -0.07 0.72 -0.15 1.55 -0.23 0.00 0.00 178.00 179.82 1wfj n VAL 99 N -3.62 0.00 -0.05 1.56 3.14 -0.79 -0.88 118.33 117.67 1wfj n VAL 99 Ca -0.01 -0.01 -0.13 0.00 -2.96 0.00 0.00 64.34 61.23 1wfj n VAL 99 Cb 0.72 -0.23 -0.14 0.00 -1.06 0.00 0.00 33.84 33.12 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 -1.38 0.63 -0.01 1.45 3.72 0.13 -1.84 117.46 120.14 1wfj n PHE 100 Ca 0.09 0.19 -0.12 0.00 -0.05 0.00 0.00 57.45 57.55 1wfj n PHE 100 Cb 0.32 -1.10 -0.14 0.00 -0.94 0.00 0.00 39.48 37.62 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 -3.10 1.66 0.03 -4.37 0.24 -0.80 -4.24 118.33 107.75 1wfj n VAL 101 Ca -0.29 -0.76 -0.19 0.00 -2.04 0.00 0.00 64.34 61.06 1wfj n VAL 101 Cb 1.07 -1.22 -0.14 0.00 -1.47 0.00 0.00 33.84 32.08 1wfj n VAL 101 CO 0.00 0.00 0.00 -0.33 -2.14 0.00 0.00 176.83 174.36 1wfj h GLU 102 N 0.02 0.26 0.00 7.34 4.39 -1.21 -3.48 114.58 121.90 1wfj h GLU 102 Ca -0.32 -0.44 0.00 0.00 0.34 0.00 0.00 59.36 58.94 1wfj h GLU 102 Cb 2.02 0.16 0.00 0.00 -0.10 0.00 0.00 28.75 30.84 1wfj h GLU 102 CO 0.08 1.12 0.00 0.41 -1.16 0.00 0.00 179.01 179.46 1wfj n GLY 103 N 1.83 1.88 3.63 -3.84 0.00 -0.77 -4.95 105.19 102.97 1wfj n GLY 103 Ca -0.25 0.00 -0.04 0.00 0.00 0.00 0.00 46.02 45.73 1wfj n GLY 103 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 1wfj s SER 104 N -2.56 -0.73 -0.03 1.61 1.04 -1.25 -2.04 113.70 109.74 1wfj s SER 104 Ca 0.00 1.16 0.06 0.00 0.48 0.00 0.00 55.95 57.65 1wfj s SER 104 Cb 0.00 1.35 -0.01 0.00 0.10 0.00 0.00 66.02 67.45 1wfj s SER 104 CO 0.00 -0.18 -0.22 -0.63 0.98 0.00 0.00 173.24 173.19 1wfj s ILE 105 N 1.57 1.79 0.94 -1.02 -1.09 0.36 -4.88 121.20 118.88 1wfj s ILE 105 Ca -0.09 -0.95 -0.13 0.00 -2.23 0.00 0.00 60.65 57.25 1wfj s ILE 105 Cb -0.05 -1.51 0.16 0.00 -1.58 0.00 0.00 42.46 39.48 1wfj s ILE 105 CO -0.17 0.51 1.15 -2.16 -1.23 0.00 0.00 174.94 173.03 1wfj s PRO 106 N -0.31 0.89 -0.60 2.79 0.04 -1.26 -3.14 135.00 133.40 1wfj s PRO 106 Ca 0.03 0.20 -0.27 0.00 0.04 0.00 0.00 61.00 60.99 1wfj s PRO 106 Cb -0.11 -1.82 0.01 0.00 0.04 0.00 0.00 34.50 32.62 1wfj s PRO 106 CO 0.01 -2.35 1.52 -1.25 0.04 0.00 0.00 177.00 174.98 1wfj s PRO 107 N -5.34 3.09 0.20 0.56 0.04 -1.25 -4.38 135.00 127.92 1wfj s PRO 107 Ca 0.65 0.38 0.10 0.00 0.04 0.00 0.00 61.00 62.18 1wfj s PRO 107 Cb -0.13 -4.21 -0.04 0.00 0.04 0.00 0.00 34.50 30.15 1wfj s PRO 107 CO 0.53 -2.20 -0.13 0.99 0.04 0.00 0.00 177.00 176.23 1wfj s THR 108 N 6.85 2.93 -0.35 1.26 2.01 0.75 -4.82 115.64 124.27 1wfj s THR 108 Ca 0.54 -1.85 -0.25 0.00 0.31 0.00 0.00 61.69 60.44 1wfj s THR 108 Cb -0.11 -2.46 0.01 0.00 0.01 0.00 0.00 72.50 69.95 1wfj s THR 108 CO 0.22 -0.16 0.86 0.00 -0.69 0.00 0.00 174.62 174.84 1wfj s ALA 109 N -1.83 3.44 -0.05 7.40 0.00 -1.26 -0.21 121.76 129.26 1wfj s ALA 109 Ca 0.25 -0.50 -0.15 0.00 0.00 0.00 0.00 51.96 51.56 1wfj s ALA 109 Cb -0.08 -3.44 -0.05 0.00 0.00 0.00 0.00 23.12 19.55 1wfj s ALA 109 CO 0.14 -1.48 0.39 0.71 0.00 0.00 0.00 175.76 175.52 1wfj s TYR 110 N 3.25 3.65 0.17 0.00 2.02 0.45 -4.74 117.35 122.15 1wfj s TYR 110 Ca 0.35 0.91 -0.34 0.00 -0.37 0.00 0.00 57.07 57.62 1wfj s TYR 110 Cb -0.13 -2.33 -0.14 0.00 -0.40 0.00 0.00 41.96 38.96 1wfj s TYR 110 CO 0.17 0.51 1.48 0.09 -1.57 0.00 0.00 175.55 176.24 1wfj n ASN 111 N 2.37 2.73 -4.12 2.29 4.13 -1.26 0.70 115.26 122.11 1wfj n ASN 111 Ca -0.13 1.11 -0.33 0.00 1.68 0.00 0.00 54.58 56.91 1wfj n ASN 111 Cb 0.52 -1.39 -0.15 0.00 -1.54 0.00 0.00 39.78 37.23 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 0.55 2.38 0.41 2.41 1.01 0.16 -4.34 120.40 122.98 1wfj s VAL 112 Ca 0.77 -1.34 0.07 0.00 0.00 0.00 0.00 61.98 61.48 1wfj s VAL 112 Cb -0.72 -2.27 -0.06 0.00 0.00 0.00 0.00 36.38 33.33 1wfj s VAL 112 CO 0.43 0.13 0.13 0.68 0.00 0.00 0.00 175.10 176.47 1wfj s VAL 113 N 1.20 2.23 -0.37 2.92 -7.23 -0.51 0.16 120.40 118.80 1wfj s VAL 113 Ca -0.04 -1.79 0.02 0.00 -1.81 0.00 0.00 61.98 58.36 1wfj s VAL 113 Cb -0.18 -3.00 0.15 0.00 0.56 0.00 0.00 36.38 33.92 1wfj s VAL 113 CO -0.06 -0.00 0.29 -0.75 -0.31 0.00 0.00 175.10 174.27 1wfj s LYS 114 N -3.85 0.63 0.00 4.82 2.47 0.40 -0.23 119.74 123.99 1wfj s LYS 114 Ca 0.39 -1.25 0.00 0.00 -1.56 0.00 0.00 55.97 53.55 1wfj s LYS 114 Cb 0.06 -1.09 0.00 0.00 -1.46 0.00 0.00 37.83 35.34 1wfj s LYS 114 CO 0.21 -1.23 0.00 -3.47 0.16 0.00 0.00 175.35 171.02 1wfj n ASP 115 N 3.95 0.00 0.00 1.43 2.03 -1.26 -3.29 116.55 119.41 1wfj n ASP 115 Ca 0.14 0.00 0.00 0.00 0.52 0.00 0.00 54.79 55.45 1wfj n ASP 115 Cb 0.41 0.00 0.00 0.00 -0.72 0.00 0.00 41.12 40.81 1wfj n ASP 115 CO 0.00 0.00 0.00 -1.84 -1.92 0.00 0.00 177.20 173.44 1wfj n GLU 116 N -1.52 0.00 -3.19 -0.67 0.28 -1.26 -5.13 120.64 109.14 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 4.31 -0.37 3.44 2.02 -1.21 -4.99 118.70 121.90 1wfj s GLU 117 Ca 0.00 0.80 -0.29 0.00 0.02 0.00 0.00 54.97 55.51 1wfj s GLU 117 Cb 0.00 -3.29 0.01 0.00 0.10 0.00 0.00 34.13 30.95 1wfj s GLU 117 CO 0.00 0.50 1.24 -0.47 0.02 0.00 0.00 175.26 176.55 1wfj s TYR 118 N -0.68 2.75 0.03 1.61 5.04 -1.26 0.15 117.35 125.00 1wfj s TYR 118 Ca 0.31 0.86 -0.09 0.00 -2.44 0.00 0.00 57.07 55.71 1wfj s TYR 118 Cb -0.19 -4.08 -0.31 0.00 0.35 0.00 0.00 41.96 37.73 1wfj s TYR 118 CO 0.19 -1.47 0.97 0.87 -1.34 0.00 0.00 175.55 174.78 1wfj h LYS 119 N 9.31 0.37 0.00 4.97 1.79 0.12 -3.48 116.57 129.65 1wfj h LYS 119 Ca -0.24 -0.63 0.00 0.00 -2.18 0.00 0.00 60.65 57.59 1wfj h LYS 119 Cb 1.08 0.24 0.00 0.00 -1.58 0.00 0.00 32.23 31.97 1wfj h LYS 119 CO 1.07 1.28 0.00 0.41 -1.08 0.00 0.00 179.45 181.13 1wfj n GLY 120 N 1.67 -0.75 2.95 3.86 0.00 -0.61 -4.09 105.19 108.22 1wfj n GLY 120 Ca -0.15 -0.24 -0.14 0.00 0.00 0.00 0.00 46.02 45.49 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 -1.08 0.34 -0.21 1.61 -1.05 -0.46 0.37 118.70 118.23 1wfj s GLU 121 Ca 0.00 -0.25 -0.03 0.00 -0.15 0.00 0.00 54.97 54.54 1wfj s GLU 121 Cb 0.00 -0.27 -0.00 0.00 -0.44 0.00 0.00 34.13 33.42 1wfj s GLU 121 CO 0.00 0.07 -0.08 -1.50 0.95 0.00 0.00 175.26 174.70 1wfj s ILE 122 N -0.36 3.12 -0.40 1.83 2.07 0.22 -1.52 121.20 126.16 1wfj s ILE 122 Ca -0.01 -0.58 -0.29 0.00 -1.41 0.00 0.00 60.65 58.36 1wfj s ILE 122 Cb -0.03 -2.40 0.02 0.00 0.13 0.00 0.00 42.46 40.18 1wfj s ILE 122 CO -0.00 0.45 1.08 0.26 -1.91 0.00 0.00 174.94 174.82 1wfj s TRP 123 N 1.36 2.99 0.18 3.50 0.52 0.25 0.17 118.94 127.93 1wfj s TRP 123 Ca 0.05 0.92 0.06 0.00 0.02 0.00 0.00 56.10 57.15 1wfj s TRP 123 Cb -0.14 -4.01 -0.05 0.00 -1.15 0.00 0.00 33.47 28.13 1wfj s TRP 123 CO -0.04 -0.99 -0.11 0.08 0.02 0.00 0.00 176.95 175.90 1wfj s VAL 124 N 3.97 1.43 -0.18 4.03 1.01 0.71 -2.03 120.40 129.34 1wfj s VAL 124 Ca 0.45 -2.13 -0.05 0.00 0.00 0.00 0.00 61.98 60.26 1wfj s VAL 124 Cb -0.10 -2.00 0.09 0.00 0.00 0.00 0.00 36.38 34.37 1wfj s VAL 124 CO 0.23 -0.63 0.32 0.00 0.00 0.00 0.00 175.10 175.02 1wfj s ALA 125 N -3.16 -0.78 -0.06 5.51 0.00 -0.84 -0.18 121.76 122.25 1wfj s ALA 125 Ca 0.21 0.96 -0.02 0.00 0.00 0.00 0.00 51.96 53.10 1wfj s ALA 125 Cb 0.01 -1.29 -0.04 0.00 0.00 0.00 0.00 23.12 21.81 1wfj s ALA 125 CO 0.04 -0.90 0.04 -0.51 0.00 0.00 0.00 175.76 174.43 1wfj s LEU 126 N 2.48 3.77 -0.39 0.00 2.01 -1.19 0.21 118.68 125.58 1wfj s LEU 126 Ca 0.04 0.18 0.02 0.00 0.01 0.00 0.00 54.13 54.38 1wfj s LEU 126 Cb -0.13 -1.98 0.15 0.00 0.01 0.00 0.00 46.19 44.24 1wfj s LEU 126 CO -0.12 0.35 0.26 -0.44 1.01 0.00 0.00 176.35 177.42 1wfj s SER 127 N -1.17 2.65 1.00 2.29 0.01 0.19 0.13 113.70 118.81 1wfj s SER 127 Ca 0.16 -2.57 -0.11 0.00 1.31 0.00 0.00 55.95 54.74 1wfj s SER 127 Cb -0.12 -0.54 0.19 0.00 0.21 0.00 0.00 66.02 65.77 1wfj s SER 127 CO 0.06 -0.25 1.11 0.12 0.41 0.00 0.00 173.24 174.68 1wfj s PHE 128 N 0.57 1.53 -0.37 2.43 5.36 -0.86 -2.35 117.98 124.29 1wfj s PHE 128 Ca 0.23 1.59 0.03 0.00 -0.96 0.00 0.00 56.93 57.82 1wfj s PHE 128 Cb -0.14 -3.26 0.15 0.00 -0.34 0.00 0.00 43.02 39.43 1wfj s PHE 128 CO -0.06 -3.17 0.36 0.15 -1.46 0.00 0.00 175.22 171.04 1wfj s LYS 129 N -4.59 0.63 0.21 10.12 1.02 0.39 -4.60 119.74 122.93 1wfj s LYS 129 Ca 0.67 -0.89 -0.30 0.00 0.02 0.00 0.00 55.97 55.48 1wfj s LYS 129 Cb -0.23 -0.76 -0.08 0.00 -0.52 0.00 0.00 37.83 36.23 1wfj s LYS 129 CO 0.60 -1.19 1.11 -1.25 -0.92 0.00 0.00 175.35 173.69 1wfj s PRO 130 N 1.41 4.60 -0.91 -1.68 0.04 -1.26 -1.43 135.00 135.77 1wfj s PRO 130 Ca 0.17 1.75 -0.25 0.00 0.04 0.00 0.00 61.00 62.71 1wfj s PRO 130 Cb -0.16 -3.25 -0.13 0.00 0.04 0.00 0.00 34.50 31.00 1wfj s PRO 130 CO -0.03 0.11 2.20 -1.54 0.04 0.00 0.00 177.00 177.77 1wfj s SER 131 N -0.32 4.21 0.00 6.66 1.04 -1.25 -4.87 113.70 119.17 1wfj s SER 131 Ca 0.48 -0.48 0.00 0.00 0.48 0.00 0.00 55.95 56.43 1wfj s SER 131 Cb -0.30 -2.57 0.00 0.00 0.10 0.00 0.00 66.02 63.25 1wfj s SER 131 CO 0.37 -3.70 0.00 0.61 0.98 0.00 0.00 173.24 171.49 1wfj n GLY 132 N 6.61 1.37 2.38 7.32 0.00 -1.26 -4.85 105.19 116.76 1wfj n GLY 132 Ca 0.44 -1.62 -0.24 0.00 0.00 0.00 0.00 46.02 44.61 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 2.43 -3.65 1.61 -0.04 -1.26 -4.64 135.00 129.45 1wfj n PRO 133 Ca 0.00 -1.49 0.01 0.00 -0.04 0.00 0.00 63.50 61.97 1wfj n PRO 133 Cb 0.00 -2.40 -0.06 0.00 -0.04 0.00 0.00 33.50 31.00 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 2.70 -0.13 0.15 3.54 1.04 -1.26 -5.17 113.70 114.57 1wfj s SER 134 Ca 0.52 0.22 0.03 0.00 0.48 0.00 0.00 55.95 57.19 1wfj s SER 134 Cb 0.16 0.94 -0.03 0.00 0.10 0.00 0.00 66.02 67.19 1wfj s SER 134 CO -0.03 -0.03 0.29 -0.44 0.98 0.00 0.00 173.24 174.00 1wfj s SER 135 N 0.95 6.34 0.00 7.02 0.01 -1.26 -4.89 113.70 121.87 1wfj s SER 135 Ca -0.06 0.17 0.00 0.00 1.31 0.00 0.00 55.95 57.36 1wfj s SER 135 Cb -0.03 -1.91 0.00 0.00 0.21 0.00 0.00 66.02 64.30 1wfj s SER 135 CO -0.11 0.05 0.00 0.61 0.41 0.00 0.00 173.24 174.20