#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 4.04 -0.01 1.61 0.15 -1.26 -5.13 113.70 113.10 1wfj s SER 2 Ca 0.00 -0.52 -0.29 0.00 0.70 0.00 0.00 55.95 55.84 1wfj s SER 2 Cb 0.00 -0.63 0.10 0.00 -1.71 0.00 0.00 66.02 63.79 1wfj s SER 2 CO 0.00 0.17 0.90 -0.55 1.20 0.00 0.00 173.24 174.96 1wfj s SER 3 N -2.24 -0.35 0.00 5.45 0.15 -1.26 -5.18 113.70 110.27 1wfj s SER 3 Ca 0.19 -0.01 0.00 0.00 0.70 0.00 0.00 55.95 56.84 1wfj s SER 3 Cb -0.10 0.37 0.00 0.00 -1.71 0.00 0.00 66.02 64.58 1wfj s SER 3 CO 0.11 -0.61 0.00 0.61 1.20 0.00 0.00 173.24 174.56 1wfj n GLY 4 N -0.24 3.57 0.21 9.45 0.00 -1.26 -5.10 105.19 111.82 1wfj n GLY 4 Ca -0.08 -1.75 -0.08 0.00 0.00 0.00 0.00 46.02 44.11 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 1.84 -4.80 1.61 7.64 -1.26 -5.01 113.62 113.64 1wfj n SER 5 Ca 0.00 0.31 -0.31 0.00 1.01 0.00 0.00 58.87 59.87 1wfj n SER 5 Cb 0.00 -0.69 0.05 0.00 -1.01 0.00 0.00 64.21 62.56 1wfj n SER 5 CO 0.00 0.00 0.00 -0.44 -3.01 0.00 0.00 175.04 171.59 1wfj s SER 6 N -5.92 5.22 0.00 6.43 0.01 -1.26 -5.03 113.70 113.15 1wfj s SER 6 Ca -0.25 1.73 0.00 0.00 1.31 0.00 0.00 55.95 58.74 1wfj s SER 6 Cb 0.03 -2.51 0.00 0.00 0.21 0.00 0.00 66.02 63.75 1wfj s SER 6 CO 0.38 -1.55 0.00 0.61 0.41 0.00 0.00 173.24 173.08 1wfj n GLY 7 N -1.51 -1.23 3.77 3.44 0.00 -1.26 -5.15 105.19 103.25 1wfj n GLY 7 Ca 0.08 -0.83 -0.39 0.00 0.00 0.00 0.00 46.02 44.89 1wfj n GLY 7 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 1wfj s PRO 8 N -0.25 4.45 -0.30 1.61 0.04 -1.26 -5.04 135.00 134.24 1wfj s PRO 8 Ca 0.00 1.66 -0.13 0.00 0.04 0.00 0.00 61.00 62.58 1wfj s PRO 8 Cb 0.00 -2.92 0.16 0.00 0.04 0.00 0.00 34.50 31.78 1wfj s PRO 8 CO 0.00 0.08 0.89 -3.38 0.04 0.00 0.00 177.00 174.63 1wfj s HIS 9 N -1.37 -0.88 0.00 0.56 -3.43 -1.26 -4.32 115.29 104.59 1wfj s HIS 9 Ca 0.50 1.41 0.00 0.00 -0.80 0.00 0.00 55.06 56.17 1wfj s HIS 9 Cb -0.27 0.48 0.00 0.00 -1.43 0.00 0.00 32.58 31.36 1wfj s HIS 9 CO 0.35 -0.44 0.00 0.41 -2.00 0.00 0.00 174.74 173.05 1wfj n GLY 10 N 5.16 -0.57 3.51 -1.38 0.00 0.74 -2.99 105.19 109.65 1wfj n GLY 10 Ca -0.09 0.09 -0.33 0.00 0.00 0.00 0.00 46.02 45.68 1wfj n GLY 10 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1wfj s THR 11 N -0.41 3.45 -0.05 2.61 2.01 0.88 0.77 115.64 124.90 1wfj s THR 11 Ca 0.00 -0.56 0.05 0.00 0.31 0.00 0.00 61.69 61.49 1wfj s THR 11 Cb 0.00 -2.41 -0.02 0.00 0.01 0.00 0.00 72.50 70.08 1wfj s THR 11 CO 0.00 0.57 -0.21 -0.22 -0.69 0.00 0.00 174.62 174.07 1wfj s LEU 12 N -0.46 2.33 -0.10 4.42 2.96 0.27 0.20 118.68 128.29 1wfj s LEU 12 Ca 0.06 -0.38 -0.02 0.00 -0.22 0.00 0.00 54.13 53.57 1wfj s LEU 12 Cb -0.12 -1.44 -0.03 0.00 0.50 0.00 0.00 46.19 45.10 1wfj s LEU 12 CO 0.02 0.29 -0.02 -0.70 -1.32 0.00 0.00 176.35 174.62 1wfj s GLU 13 N -0.43 3.13 -0.23 1.98 2.12 0.04 -0.40 118.70 124.91 1wfj s GLU 13 Ca 0.05 -0.47 -0.01 0.00 0.36 0.00 0.00 54.97 54.90 1wfj s GLU 13 Cb -0.12 -2.79 0.07 0.00 0.26 0.00 0.00 34.13 31.55 1wfj s GLU 13 CO 0.01 0.57 0.02 0.08 -0.54 0.00 0.00 175.26 175.40 1wfj s VAL 14 N -0.52 0.90 -0.53 3.70 1.01 0.54 -1.99 120.40 123.52 1wfj s VAL 14 Ca 0.08 -0.91 -0.13 0.00 0.00 0.00 0.00 61.98 61.03 1wfj s VAL 14 Cb -0.12 -1.38 0.13 0.00 0.00 0.00 0.00 36.38 35.01 1wfj s VAL 14 CO 0.02 -0.25 0.45 -0.69 0.00 0.00 0.00 175.10 174.63 1wfj s VAL 15 N 1.67 4.81 -1.16 2.92 1.01 0.03 -0.16 120.40 129.52 1wfj s VAL 15 Ca -0.01 -1.67 -0.21 0.00 0.00 0.00 0.00 61.98 60.09 1wfj s VAL 15 Cb -0.18 -4.11 0.05 0.00 0.00 0.00 0.00 36.38 32.14 1wfj s VAL 15 CO -0.10 -0.84 1.64 -0.22 0.00 0.00 0.00 175.10 175.58 1wfj s LEU 16 N 1.43 3.63 0.00 3.92 2.96 -1.06 -0.78 118.68 128.78 1wfj s LEU 16 Ca 0.05 -1.93 0.00 0.00 -0.22 0.00 0.00 54.13 52.03 1wfj s LEU 16 Cb -0.28 -2.58 0.00 0.00 0.50 0.00 0.00 46.19 43.84 1wfj s LEU 16 CO 0.01 -1.47 0.05 0.52 -1.32 0.00 0.00 176.35 174.14 1wfj n VAL 17 N 6.73 0.00 -4.04 1.68 0.31 -0.89 0.13 118.33 122.25 1wfj n VAL 17 Ca 0.42 0.54 -0.13 0.00 -0.01 0.00 0.00 64.34 65.16 1wfj n VAL 17 Cb 0.48 -1.53 -0.04 0.00 -0.91 0.00 0.00 33.84 31.85 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 -0.96 -3.57 4.52 3.41 -1.04 0.51 113.62 116.44 1wfj n SER 18 Ca 0.00 -2.59 -0.02 0.00 -0.26 0.00 0.00 58.87 55.99 1wfj n SER 18 Cb 0.00 1.86 -0.05 0.00 -0.26 0.00 0.00 64.21 65.76 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 -2.70 -1.82 0.08 7.33 0.00 -1.14 0.17 121.76 123.68 1wfj s ALA 19 Ca 0.26 2.01 0.05 0.00 0.00 0.00 0.00 51.96 54.28 1wfj s ALA 19 Cb -0.00 -1.72 -0.04 0.00 0.00 0.00 0.00 23.12 21.36 1wfj s ALA 19 CO 0.18 -0.96 -0.02 -1.59 0.00 0.00 0.00 175.76 173.37 1wfj s LYS 20 N 2.81 2.50 0.00 0.00 0.00 -0.70 -3.80 119.74 120.54 1wfj s LYS 20 Ca -0.00 -0.84 0.00 0.00 0.00 0.00 0.00 55.97 55.13 1wfj s LYS 20 Cb -0.13 -2.51 0.00 0.00 0.00 0.00 0.00 37.83 35.20 1wfj s LYS 20 CO -0.18 0.55 0.00 0.41 0.00 0.00 0.00 175.35 176.13 1wfj n GLY 21 N 0.76 1.49 0.47 0.59 0.00 -1.23 -0.93 105.19 106.35 1wfj n GLY 21 Ca -0.12 -1.68 -0.04 0.00 0.00 0.00 0.00 46.02 44.17 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 -0.01 0.99 4.77 -1.20 -4.59 117.00 116.96 1wfj n LEU 22 Ca 0.00 -0.42 0.08 0.00 -0.03 0.00 0.00 56.01 55.64 1wfj n LEU 22 Cb 0.00 0.06 -0.12 0.00 -2.33 0.00 0.00 43.42 41.03 1wfj n LEU 22 CO 0.00 -0.06 -0.54 -1.84 -1.33 0.00 0.00 177.39 173.62 1wfj n GLU 23 N -0.16 0.80 -2.43 3.23 0.28 -1.26 -4.49 120.64 116.61 1wfj n GLU 23 Ca -0.02 -0.11 -0.26 0.00 -0.16 0.00 0.00 57.16 56.60 1wfj n GLU 23 Cb 0.08 -1.36 0.00 0.00 1.43 0.00 0.00 31.44 31.60 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 -1.90 4.70 -3.18 -1.84 8.00 -1.26 -4.93 116.55 116.14 1wfj n ASP 24 Ca -0.02 -3.71 0.05 0.00 0.71 0.00 0.00 54.79 51.82 1wfj n ASP 24 Cb 0.38 -0.45 -0.02 0.00 -0.02 0.00 0.00 41.12 41.02 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 -3.54 -3.16 -0.89 2.24 0.00 -1.26 -5.08 121.76 110.06 1wfj s ALA 25 Ca 0.48 1.57 -0.25 0.00 0.00 0.00 0.00 51.96 53.76 1wfj s ALA 25 Cb 0.40 -2.40 -0.10 0.00 0.00 0.00 0.00 23.12 21.02 1wfj s ALA 25 CO -0.16 -1.38 2.16 0.34 0.00 0.00 0.00 175.76 176.71 1wfj s ASP 26 N 2.88 4.47 -0.16 0.00 2.15 -1.26 -4.38 116.67 120.36 1wfj s ASP 26 Ca 0.03 -0.46 -0.04 0.00 0.43 0.00 0.00 52.55 52.50 1wfj s ASP 26 Cb -0.11 -2.56 0.07 0.00 -0.30 0.00 0.00 42.92 40.02 1wfj s ASP 26 CO -0.13 -3.41 0.14 0.12 -0.17 0.00 0.00 175.17 171.72 1wfj s PHE 27 N 12.68 -0.01 -0.14 -5.34 5.36 -1.26 -4.93 117.98 124.34 1wfj s PHE 27 Ca 0.80 0.00 -0.01 0.00 -0.96 0.00 0.00 56.93 56.77 1wfj s PHE 27 Cb -0.09 -0.52 0.00 0.00 -0.34 0.00 0.00 43.02 42.07 1wfj s PHE 27 CO 0.05 -0.49 0.14 1.28 -1.46 0.00 0.00 175.22 174.75 1wfj n LEU 28 N 5.30 -3.05 -3.70 6.12 4.77 -1.26 -4.44 117.00 120.74 1wfj n LEU 28 Ca -0.06 0.01 -0.21 0.00 -0.03 0.00 0.00 56.01 55.72 1wfj n LEU 28 Cb 0.49 -1.49 -0.18 0.00 -2.33 0.00 0.00 43.42 39.92 1wfj n LEU 28 CO 0.08 -0.29 -0.35 0.21 -1.33 0.00 0.00 177.39 175.72 1wfj s ASN 29 N -2.04 1.22 -0.89 -1.43 3.84 -1.26 -3.82 114.94 110.56 1wfj s ASN 29 Ca 0.01 0.03 -0.06 0.00 0.21 0.00 0.00 52.86 53.05 1wfj s ASN 29 Cb -0.00 -0.22 0.00 0.00 -0.55 0.00 0.00 41.25 40.48 1wfj s ASN 29 CO 0.16 -0.23 0.66 -3.20 -2.79 0.00 0.00 177.10 171.70 1wfj n ASN 30 N 5.22 -5.54 -3.37 -4.21 5.15 -1.26 -4.97 115.26 106.29 1wfj n ASN 30 Ca -0.05 -0.80 -0.06 0.00 -0.60 0.00 0.00 54.58 53.07 1wfj n ASN 30 Cb 0.50 -2.75 0.01 0.00 -0.53 0.00 0.00 39.78 37.01 1wfj n ASN 30 CO 0.00 0.00 0.00 0.00 1.40 0.00 0.00 177.26 178.66 1wfj s MET 31 N -4.87 1.68 -0.51 1.20 0.23 -1.26 -5.09 119.30 110.67 1wfj s MET 31 Ca 0.11 -1.03 0.07 0.00 -1.03 0.00 0.00 55.69 53.81 1wfj s MET 31 Cb -0.05 0.50 0.26 0.00 -1.53 0.00 0.00 34.83 34.01 1wfj s MET 31 CO 0.87 -0.78 0.65 -0.25 -2.03 0.00 0.00 175.02 173.48 1wfj n ASP 32 N -1.02 2.06 -4.81 -1.18 8.00 -1.25 -4.40 116.55 113.95 1wfj n ASP 32 Ca -0.06 -3.10 -0.32 0.00 0.71 0.00 0.00 54.79 52.02 1wfj n ASP 32 Cb 0.60 -0.65 0.02 0.00 -0.02 0.00 0.00 41.12 41.07 1wfj n ASP 32 CO 0.00 0.00 0.00 -2.16 -0.39 0.00 0.00 177.20 174.65 1wfj s PRO 33 N -1.93 3.25 0.06 -0.24 0.04 -1.26 -2.20 135.00 132.72 1wfj s PRO 33 Ca 0.38 1.11 0.04 0.00 0.04 0.00 0.00 61.00 62.57 1wfj s PRO 33 Cb 0.17 -2.03 -0.03 0.00 0.04 0.00 0.00 34.50 32.66 1wfj s PRO 33 CO -0.06 -0.86 -0.12 1.52 0.04 0.00 0.00 177.00 177.52 1wfj s TYR 34 N -2.65 1.06 0.06 0.56 -0.85 0.65 -3.03 117.35 113.14 1wfj s TYR 34 Ca 0.61 -0.44 -0.18 0.00 -0.52 0.00 0.00 57.07 56.55 1wfj s TYR 34 Cb -0.15 -0.61 -0.06 0.00 0.38 0.00 0.00 41.96 41.52 1wfj s TYR 34 CO 0.42 0.02 0.52 0.08 -1.52 0.00 0.00 175.55 175.07 1wfj s VAL 35 N -1.19 4.83 -0.46 -3.49 1.01 -1.26 -0.42 120.40 119.42 1wfj s VAL 35 Ca -0.03 1.09 0.02 0.00 0.00 0.00 0.00 61.98 63.06 1wfj s VAL 35 Cb -0.09 -3.84 0.12 0.00 0.00 0.00 0.00 36.38 32.57 1wfj s VAL 35 CO 0.02 0.55 0.20 -1.58 0.00 0.00 0.00 175.10 174.29 1wfj s GLN 36 N -1.14 1.89 0.37 2.72 0.74 0.18 -1.89 119.66 122.52 1wfj s GLN 36 Ca 0.28 -2.26 -0.27 0.00 0.05 0.00 0.00 55.36 53.16 1wfj s GLN 36 Cb -0.18 -3.37 -0.09 0.00 1.10 0.00 0.00 33.01 30.46 1wfj s GLN 36 CO 0.17 -1.05 1.23 -0.51 -0.55 0.00 0.00 175.29 174.58 1wfj s LEU 37 N 0.33 4.31 -0.06 3.68 1.43 0.32 -2.98 118.68 125.71 1wfj s LEU 37 Ca 0.14 2.50 -0.02 0.00 -1.03 0.00 0.00 54.13 55.72 1wfj s LEU 37 Cb -0.22 -3.84 0.04 0.00 0.03 0.00 0.00 46.19 42.19 1wfj s LEU 37 CO -0.04 -0.61 0.12 -0.89 0.23 0.00 0.00 176.35 175.16 1wfj s THR 38 N -1.27 -0.07 -0.35 5.49 2.01 -0.74 -0.22 115.64 120.48 1wfj s THR 38 Ca 0.53 0.21 -0.00 0.00 0.31 0.00 0.00 61.69 62.74 1wfj s THR 38 Cb -0.35 -0.20 0.12 0.00 0.01 0.00 0.00 72.50 72.08 1wfj s THR 38 CO 0.45 0.09 0.18 0.00 -0.69 0.00 0.00 174.62 174.65 1wfj n ARG 40 N 4.31 0.00 0.00 0.00 3.00 -1.26 -0.25 116.66 122.47 1wfj n ARG 40 Ca 0.05 0.00 0.00 0.00 -0.01 0.00 0.00 57.85 57.89 1wfj n ARG 40 Cb 0.38 0.00 0.00 0.00 0.00 0.00 0.00 32.46 32.84 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 0.16 -3.54 0.55 -2.24 -1.26 -5.01 114.28 102.94 1wfj n THR 41 Ca 0.00 -0.44 -0.38 0.00 -2.27 0.00 0.00 64.05 60.96 1wfj n THR 41 Cb 0.00 1.13 -0.10 0.00 -2.10 0.00 0.00 70.33 69.27 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 -0.16 4.02 -0.05 -0.78 -0.21 0.66 -5.07 119.66 118.06 1wfj s GLN 42 Ca 0.00 -0.18 0.06 0.00 0.02 0.00 0.00 55.36 55.26 1wfj s GLN 42 Cb 0.00 -3.62 -0.01 0.00 1.00 0.00 0.00 33.01 30.38 1wfj s GLN 42 CO 0.00 -0.13 -0.24 0.16 -2.12 0.00 0.00 175.29 172.96 1wfj s ASP 43 N 1.49 2.95 -0.17 5.90 -4.77 -1.26 0.13 116.67 120.94 1wfj s ASP 43 Ca 0.10 -0.49 -0.07 0.00 -3.30 0.00 0.00 52.55 48.79 1wfj s ASP 43 Cb -0.15 -0.77 0.07 0.00 -1.09 0.00 0.00 42.92 40.97 1wfj s ASP 43 CO 0.09 0.24 0.37 -1.10 0.70 0.00 0.00 175.17 175.47 1wfj s GLN 44 N -0.17 0.31 0.36 2.11 -0.21 0.69 -4.98 119.66 117.77 1wfj s GLN 44 Ca -0.03 0.83 0.07 0.00 0.02 0.00 0.00 55.36 56.26 1wfj s GLN 44 Cb -0.13 0.08 -0.02 0.00 1.00 0.00 0.00 33.01 33.94 1wfj s GLN 44 CO 0.03 -0.21 0.38 0.15 -2.12 0.00 0.00 175.29 173.52 1wfj s LYS 45 N 1.92 2.78 0.35 2.91 1.02 -1.26 0.12 119.74 127.58 1wfj s LYS 45 Ca -0.05 -1.28 0.08 0.00 0.02 0.00 0.00 55.97 54.73 1wfj s LYS 45 Cb -0.10 -2.56 -0.04 0.00 -0.52 0.00 0.00 37.83 34.61 1wfj s LYS 45 CO -0.12 -0.01 0.18 0.45 -0.92 0.00 0.00 175.35 174.93 1wfj s SER 46 N -4.10 4.76 0.94 2.83 0.15 -0.79 -4.94 113.70 112.55 1wfj s SER 46 Ca 0.45 -0.76 -0.15 0.00 0.70 0.00 0.00 55.95 56.19 1wfj s SER 46 Cb -0.06 -0.73 -0.04 0.00 -1.71 0.00 0.00 66.02 63.48 1wfj s SER 46 CO 0.28 -0.35 0.01 -0.46 1.20 0.00 0.00 173.24 173.92 1wfj n ASN 47 N -1.21 -3.35 -4.65 5.45 6.94 -1.26 -4.60 115.26 112.58 1wfj n ASN 47 Ca -0.02 0.31 -0.43 0.00 -0.02 0.00 0.00 54.58 54.42 1wfj n ASN 47 Cb 0.61 -1.05 -0.02 0.00 -2.36 0.00 0.00 39.78 36.96 1wfj n ASN 47 CO 0.00 0.00 0.00 -0.69 -1.03 0.00 0.00 177.26 175.54 1wfj s VAL 48 N -2.21 4.69 -0.97 3.53 1.01 -1.26 -4.74 120.40 120.44 1wfj s VAL 48 Ca 0.52 1.88 -0.27 0.00 0.00 0.00 0.00 61.98 64.12 1wfj s VAL 48 Cb -0.22 -4.29 -0.23 0.00 0.00 0.00 0.00 36.38 31.65 1wfj s VAL 48 CO 0.72 -0.21 2.02 0.00 0.00 0.00 0.00 175.10 177.63 1wfj n ALA 49 N 6.34 0.64 -2.12 5.51 0.00 -1.17 -4.86 120.51 124.85 1wfj n ALA 49 Ca 0.11 -2.46 -0.42 0.00 0.00 0.00 0.00 53.44 50.67 1wfj n ALA 49 Cb 0.46 -3.43 -0.03 0.00 0.00 0.00 0.00 19.45 16.46 1wfj n ALA 49 CO 0.00 0.00 0.00 -1.21 0.00 0.00 0.00 177.50 176.29 1wfj s GLU 50 N 7.91 4.22 -0.35 0.00 2.02 -1.26 -3.97 118.70 127.26 1wfj s GLU 50 Ca 0.77 2.06 -0.29 0.00 0.02 0.00 0.00 54.97 57.53 1wfj s GLU 50 Cb -0.01 -3.81 0.04 0.00 0.10 0.00 0.00 34.13 30.45 1wfj s GLU 50 CO 0.20 -0.75 0.50 0.41 0.02 0.00 0.00 175.26 175.65 1wfj n GLY 51 N 3.91 0.11 0.02 -1.39 0.00 -1.26 -4.90 105.19 101.68 1wfj n GLY 51 Ca 0.16 0.87 -0.02 0.00 0.00 0.00 0.00 46.02 47.02 1wfj n GLY 51 CO 0.00 0.00 0.00 1.03 0.00 0.00 0.00 173.32 174.35 1wfj n MET 52 N -0.21 2.71 0.00 1.61 2.81 -1.26 -5.13 117.12 117.65 1wfj n MET 52 Ca -0.07 0.00 0.00 0.00 -1.81 0.00 0.00 57.70 55.82 1wfj n MET 52 Cb 0.52 -1.10 0.00 0.00 -0.71 0.00 0.00 33.22 31.93 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 2.86 0.54 1.03 3.03 0.00 -1.26 -4.40 105.19 106.98 1wfj n GLY 53 Ca -0.07 -1.53 0.08 0.00 0.00 0.00 0.00 46.02 44.50 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 1.32 -3.02 2.61 -2.24 -1.25 -4.23 114.28 107.47 1wfj n THR 54 Ca 0.00 -1.15 -0.15 0.00 -2.27 0.00 0.00 64.05 60.48 1wfj n THR 54 Cb 0.00 0.34 -0.03 0.00 -2.10 0.00 0.00 70.33 68.54 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 0.78 -0.49 -2.49 4.28 -2.24 -1.26 -3.47 114.28 109.38 1wfj n THR 55 Ca 0.19 -2.31 -0.41 0.00 -2.27 0.00 0.00 64.05 59.25 1wfj n THR 55 Cb 0.62 -0.20 -0.04 0.00 -2.10 0.00 0.00 70.33 68.61 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 4.59 -0.12 -0.78 0.04 -1.25 -4.85 135.00 132.91 1wfj s PRO 56 Ca 0.32 1.75 -0.01 0.00 0.04 0.00 0.00 61.00 63.10 1wfj s PRO 56 Cb 0.08 -3.26 -0.02 0.00 0.04 0.00 0.00 34.50 31.34 1wfj s PRO 56 CO -0.14 0.09 -0.10 -1.21 0.04 0.00 0.00 177.00 175.68 1wfj s GLU 57 N -0.58 3.28 -0.10 4.56 8.01 -1.26 -2.88 118.70 129.73 1wfj s GLU 57 Ca 0.49 -0.62 0.03 0.00 0.01 0.00 0.00 54.97 54.87 1wfj s GLU 57 Cb -0.30 -2.68 -0.08 0.00 -4.31 0.00 0.00 34.13 26.76 1wfj s GLU 57 CO 0.36 0.33 -0.06 0.91 0.01 0.00 0.00 175.26 176.82 1wfj n TRP 58 N 3.20 0.00 -2.51 1.61 8.01 0.18 -4.97 117.44 122.96 1wfj n TRP 58 Ca -0.18 0.00 -0.02 0.00 -1.31 0.00 0.00 57.50 56.00 1wfj n TRP 58 Cb 0.53 -0.41 -0.00 0.00 -2.01 0.00 0.00 31.31 29.42 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 -2.66 -1.00 -3.57 -0.99 5.03 0.34 -4.85 115.26 107.57 1wfj n ASN 59 Ca -0.17 0.42 -0.20 0.00 0.87 0.00 0.00 54.58 55.50 1wfj n ASN 59 Cb 0.72 -0.99 0.13 0.00 -1.02 0.00 0.00 39.78 38.62 1wfj n ASN 59 CO 0.00 0.00 0.00 -0.62 -1.83 0.00 0.00 177.26 174.81 1wfj n GLU 60 N -2.47 -0.56 -3.67 3.52 -0.58 -1.09 -4.86 120.64 110.93 1wfj n GLU 60 Ca 0.00 -1.69 -0.14 0.00 -0.42 0.00 0.00 57.16 54.91 1wfj n GLU 60 Cb 0.48 -0.80 -0.14 0.00 -0.57 0.00 0.00 31.44 30.41 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 -2.77 -0.33 -0.10 2.62 2.01 -1.26 -2.57 115.64 113.25 1wfj s THR 61 Ca 0.52 0.29 0.02 0.00 0.31 0.00 0.00 61.69 62.84 1wfj s THR 61 Cb -0.02 -0.39 0.01 0.00 0.01 0.00 0.00 72.50 72.12 1wfj s THR 61 CO 0.36 0.12 -0.17 -0.36 -0.69 0.00 0.00 174.62 173.89 1wfj s PHE 62 N 2.26 2.02 -0.07 4.92 0.40 0.77 -4.95 117.98 123.33 1wfj s PHE 62 Ca 0.01 -0.90 -0.08 0.00 -0.60 0.00 0.00 56.93 55.36 1wfj s PHE 62 Cb -0.12 -1.43 -0.04 0.00 0.51 0.00 0.00 43.02 41.94 1wfj s PHE 62 CO -0.08 -0.43 0.21 0.42 0.70 0.00 0.00 175.22 176.04 1wfj s ILE 63 N 0.79 5.38 -0.05 0.64 -1.09 -1.26 -0.34 121.20 125.28 1wfj s ILE 63 Ca -0.11 0.29 0.01 0.00 -2.23 0.00 0.00 60.65 58.61 1wfj s ILE 63 Cb -0.16 -3.49 0.02 0.00 -1.58 0.00 0.00 42.46 37.25 1wfj s ILE 63 CO 0.01 0.55 -0.03 -0.36 -1.23 0.00 0.00 174.94 173.88 1wfj s PHE 64 N -1.11 0.68 -0.01 3.97 0.08 0.46 -4.96 117.98 117.10 1wfj s PHE 64 Ca 0.20 -0.18 -0.30 0.00 0.12 0.00 0.00 56.93 56.77 1wfj s PHE 64 Cb -0.13 -0.65 -0.05 0.00 -0.57 0.00 0.00 43.02 41.62 1wfj s PHE 64 CO 0.09 -0.20 1.44 0.99 -0.10 0.00 0.00 175.22 177.43 1wfj s THR 65 N 1.08 3.68 -0.10 0.64 2.01 -1.26 -0.57 115.64 121.11 1wfj s THR 65 Ca -0.09 1.03 0.01 0.00 0.31 0.00 0.00 61.69 62.96 1wfj s THR 65 Cb -0.14 -3.67 -0.02 0.00 0.01 0.00 0.00 72.50 68.68 1wfj s THR 65 CO -0.01 -0.02 -0.12 0.54 -0.69 0.00 0.00 174.62 174.32 1wfj s VAL 66 N 2.65 3.16 0.09 3.82 0.11 0.23 -4.94 120.40 125.51 1wfj s VAL 66 Ca 0.65 -0.65 0.00 0.00 -2.93 0.00 0.00 61.98 59.05 1wfj s VAL 66 Cb -0.32 -2.30 0.00 0.00 -1.53 0.00 0.00 36.38 32.24 1wfj s VAL 66 CO 0.26 0.55 0.00 -0.24 -3.33 0.00 0.00 175.10 172.34 1wfj n SER 67 N 3.04 -0.28 -3.64 3.54 2.88 -1.26 0.26 113.62 118.16 1wfj n SER 67 Ca -0.18 0.15 -0.17 0.00 -1.33 0.00 0.00 58.87 57.35 1wfj n SER 67 Cb 0.53 0.39 -0.15 0.00 -0.75 0.00 0.00 64.21 64.23 1wfj n SER 67 CO 0.00 0.00 0.00 -1.83 -1.23 0.00 0.00 175.04 171.98 1wfj s GLU 68 N -1.25 0.08 0.00 -1.46 -1.05 -1.26 -4.35 118.70 109.40 1wfj s GLU 68 Ca 0.00 0.54 0.00 0.00 -0.15 0.00 0.00 54.97 55.36 1wfj s GLU 68 Cb 0.00 -0.39 0.00 0.00 -0.44 0.00 0.00 34.13 33.30 1wfj s GLU 68 CO 0.00 -0.36 0.00 0.41 0.95 0.00 0.00 175.26 176.26 1wfj n GLY 69 N 5.33 1.38 3.56 -3.83 0.00 -1.26 -5.03 105.19 105.34 1wfj n GLY 69 Ca -0.05 -0.05 -0.29 0.00 0.00 0.00 0.00 46.02 45.63 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 -1.62 3.41 0.00 2.61 2.01 -1.26 -4.52 115.64 116.26 1wfj s THR 70 Ca 0.00 -0.23 0.00 0.00 0.31 0.00 0.00 61.69 61.77 1wfj s THR 70 Cb 0.00 -3.94 0.00 0.00 0.01 0.00 0.00 72.50 68.57 1wfj s THR 70 CO 0.00 -0.89 0.42 0.35 -0.69 0.00 0.00 174.62 173.81 1wfj n THR 71 N 7.78 0.16 -3.63 -0.82 -2.24 -1.26 -4.89 114.28 109.37 1wfj n THR 71 Ca 0.36 -0.36 -0.05 0.00 -2.27 0.00 0.00 64.05 61.72 1wfj n THR 71 Cb 0.48 1.23 -0.06 0.00 -2.10 0.00 0.00 70.33 69.88 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 -0.16 0.25 0.01 -0.78 -1.05 -1.26 -2.03 118.70 113.67 1wfj s GLU 72 Ca 0.00 0.19 -0.01 0.00 -0.15 0.00 0.00 54.97 55.00 1wfj s GLU 72 Cb 0.00 0.12 -0.04 0.00 -0.44 0.00 0.00 34.13 33.77 1wfj s GLU 72 CO 0.00 -0.05 0.11 -1.17 0.95 0.00 0.00 175.26 175.10 1wfj s LEU 73 N -0.36 4.01 -0.28 1.83 2.96 0.91 -4.81 118.68 122.95 1wfj s LEU 73 Ca 0.05 0.18 -0.04 0.00 -0.22 0.00 0.00 54.13 54.11 1wfj s LEU 73 Cb -0.03 -2.40 0.03 0.00 0.50 0.00 0.00 46.19 44.28 1wfj s LEU 73 CO -0.09 0.26 0.01 -0.54 -1.32 0.00 0.00 176.35 174.67 1wfj s LYS 74 N -1.88 2.84 -0.26 1.98 3.01 -0.96 -0.76 119.74 123.71 1wfj s LYS 74 Ca 0.25 -1.00 -0.05 0.00 -1.01 0.00 0.00 55.97 54.16 1wfj s LYS 74 Cb -0.12 -3.19 -0.00 0.00 -1.01 0.00 0.00 37.83 33.51 1wfj s LYS 74 CO 0.16 -0.47 0.02 0.00 0.51 0.00 0.00 175.35 175.57 1wfj s ALA 75 N 1.38 2.96 -0.03 5.17 0.00 -0.91 -1.79 121.76 128.54 1wfj s ALA 75 Ca -0.00 -1.30 0.05 0.00 0.00 0.00 0.00 51.96 50.71 1wfj s ALA 75 Cb -0.18 -1.94 -0.02 0.00 0.00 0.00 0.00 23.12 20.98 1wfj s ALA 75 CO -0.01 -0.68 -0.18 0.15 0.00 0.00 0.00 175.76 175.04 1wfj s LYS 76 N 1.49 2.34 -0.21 0.00 1.02 -1.16 -0.58 119.74 122.64 1wfj s LYS 76 Ca 0.04 -0.80 -0.06 0.00 0.02 0.00 0.00 55.97 55.17 1wfj s LYS 76 Cb -0.16 -2.26 -0.03 0.00 -0.52 0.00 0.00 37.83 34.87 1wfj s LYS 76 CO 0.00 0.60 0.03 0.42 -0.92 0.00 0.00 175.35 175.48 1wfj s ILE 77 N -0.72 4.24 0.19 2.17 1.09 0.12 0.50 121.20 128.78 1wfj s ILE 77 Ca 0.11 -0.21 0.04 0.00 -1.10 0.00 0.00 60.65 59.49 1wfj s ILE 77 Cb -0.10 -2.93 -0.05 0.00 -1.06 0.00 0.00 42.46 38.32 1wfj s ILE 77 CO 0.01 0.42 -0.04 -0.36 -0.10 0.00 0.00 174.94 174.86 1wfj s PHE 78 N 0.97 1.38 0.48 3.97 0.08 0.44 0.15 117.98 125.45 1wfj s PHE 78 Ca 0.03 -0.88 -0.11 0.00 0.12 0.00 0.00 56.93 56.08 1wfj s PHE 78 Cb -0.14 -0.76 -0.06 0.00 -0.57 0.00 0.00 43.02 41.49 1wfj s PHE 78 CO 0.02 -0.03 0.87 0.34 -0.10 0.00 0.00 175.22 176.33 1wfj s ASP 79 N -3.23 6.47 0.13 1.36 2.15 -1.26 0.24 116.67 122.53 1wfj s ASP 79 Ca 0.23 1.27 0.11 0.00 0.43 0.00 0.00 52.55 54.59 1wfj s ASP 79 Cb 0.05 -2.39 0.55 0.00 -0.30 0.00 0.00 42.92 40.83 1wfj s ASP 79 CO 0.05 -0.55 1.34 2.29 -0.17 0.00 0.00 175.17 178.13 1wfj n LYS 80 N -1.74 0.06 -3.36 4.34 2.85 -0.93 -2.74 118.16 116.64 1wfj n LYS 80 Ca 0.04 0.50 -0.27 0.00 -1.05 0.00 0.00 58.31 57.53 1wfj n LYS 80 Cb 0.54 -1.68 -0.08 0.00 -0.65 0.00 0.00 35.03 33.16 1wfj n LYS 80 CO 0.00 0.00 0.00 -0.25 -0.05 0.00 0.00 177.40 177.10 1wfj n ASP 81 N -1.82 3.78 -3.63 -5.58 8.00 -1.26 -5.03 116.55 111.02 1wfj n ASP 81 Ca 0.00 -3.46 -0.00 0.00 0.71 0.00 0.00 54.79 52.04 1wfj n ASP 81 Cb 0.06 -0.66 -0.01 0.00 -0.02 0.00 0.00 41.12 40.49 1wfj n ASP 81 CO 0.00 0.00 0.00 0.54 -0.39 0.00 0.00 177.20 177.35 1wfj s VAL 82 N -2.69 0.00 -0.07 2.53 0.11 -1.11 -5.14 120.40 114.03 1wfj s VAL 82 Ca 0.41 -0.24 0.05 0.00 -2.93 0.00 0.00 61.98 59.26 1wfj s VAL 82 Cb 0.17 -1.80 -0.01 0.00 -1.53 0.00 0.00 36.38 33.20 1wfj s VAL 82 CO -0.03 0.00 -0.22 -0.83 -3.33 0.00 0.00 175.10 170.70 1wfj s GLY 83 N -2.83 1.37 0.33 6.54 0.00 -1.26 -4.87 107.32 106.60 1wfj s GLY 83 Ca 0.13 -1.01 0.24 0.00 0.00 0.00 0.00 44.72 44.08 1wfj s GLY 83 CO -0.03 -0.57 1.20 -1.30 0.00 0.00 0.00 173.10 172.40 1wfj n THR 84 N 2.98 -0.21 -2.28 0.90 -2.24 -1.26 0.11 114.28 112.29 1wfj n THR 84 Ca -0.18 1.40 -0.40 0.00 -2.27 0.00 0.00 64.05 62.61 1wfj n THR 84 Cb 0.52 -2.30 0.01 0.00 -2.10 0.00 0.00 70.33 66.47 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 -4.28 4.49 0.07 -0.78 1.02 -1.26 -4.38 120.64 115.52 1wfj n GLU 85 Ca 0.31 -4.03 0.00 0.00 -0.02 0.00 0.00 57.16 53.42 1wfj n GLU 85 Cb 1.19 -2.43 0.00 0.00 -0.02 0.00 0.00 31.44 30.18 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 0.23 -0.28 0.00 1.62 -0.08 0.31 -5.14 116.55 113.21 1wfj n ASP 86 Ca 0.51 0.24 0.00 0.00 -1.51 0.00 0.00 54.79 54.03 1wfj n ASP 86 Cb 0.27 0.39 0.00 0.00 2.34 0.00 0.00 41.12 44.12 1wfj n ASP 86 CO 0.00 0.00 0.00 -0.67 0.12 0.00 0.00 177.20 176.65 1wfj n ASP 87 N -2.92 0.00 -4.74 1.67 -0.08 -1.25 -5.05 116.55 104.18 1wfj n ASP 87 Ca 0.00 0.00 -0.36 0.00 -1.51 0.00 0.00 54.79 52.92 1wfj n ASP 87 Cb 0.00 0.00 -0.07 0.00 2.34 0.00 0.00 41.12 43.39 1wfj n ASP 87 CO 0.00 0.00 0.00 0.00 0.12 0.00 0.00 177.20 177.32 1wfj s ALA 88 N 0.00 3.63 0.58 -1.67 0.00 -1.26 -4.71 121.76 118.34 1wfj s ALA 88 Ca 0.00 -0.49 0.34 0.00 0.00 0.00 0.00 51.96 51.81 1wfj s ALA 88 Cb 0.00 -2.33 1.33 0.00 0.00 0.00 0.00 23.12 22.12 1wfj s ALA 88 CO 0.00 0.16 1.58 -0.39 0.00 0.00 0.00 175.76 177.11 1wfj h VAL 89 N 4.58 0.15 0.00 0.00 -1.51 0.96 -3.44 116.25 117.00 1wfj h VAL 89 Ca -0.43 0.00 0.00 0.00 -1.23 0.00 0.00 66.70 65.04 1wfj h VAL 89 Cb 1.17 0.21 0.00 0.00 -2.13 0.00 0.00 31.29 30.54 1wfj h VAL 89 CO 0.74 0.00 0.00 0.61 -1.23 0.00 0.00 177.57 177.69 1wfj n GLY 90 N -1.72 -0.92 3.63 5.19 0.00 -1.18 -4.79 105.19 105.38 1wfj n GLY 90 Ca 0.25 -1.03 -0.09 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 1.67 -0.17 1.61 4.04 0.46 0.14 118.70 124.45 1wfj s GLU 91 Ca 0.00 -1.29 -0.16 0.00 0.04 0.00 0.00 54.97 53.56 1wfj s GLU 91 Cb 0.00 0.50 0.05 0.00 0.02 0.00 0.00 34.13 34.69 1wfj s GLU 91 CO 0.00 -0.71 0.46 0.00 -1.84 0.00 0.00 175.26 173.17 1wfj s ALA 92 N -3.77 -1.15 -0.39 -0.84 0.00 0.26 -0.95 121.76 114.92 1wfj s ALA 92 Ca 0.21 1.33 -0.18 0.00 0.00 0.00 0.00 51.96 53.33 1wfj s ALA 92 Cb -0.02 -0.78 0.01 0.00 0.00 0.00 0.00 23.12 22.33 1wfj s ALA 92 CO 0.10 -0.22 0.48 0.99 0.00 0.00 0.00 175.76 177.10 1wfj s THR 93 N 0.34 5.04 -0.45 0.00 2.01 -1.26 -2.13 115.64 119.18 1wfj s THR 93 Ca -0.01 -0.02 -0.09 0.00 0.31 0.00 0.00 61.69 61.88 1wfj s THR 93 Cb -0.04 -4.00 0.11 0.00 0.01 0.00 0.00 72.50 68.58 1wfj s THR 93 CO -0.01 -0.33 0.32 -0.63 -0.69 0.00 0.00 174.62 173.28 1wfj s ILE 94 N 2.29 4.22 0.39 1.82 1.01 0.06 -4.93 121.20 126.05 1wfj s ILE 94 Ca 0.15 -1.66 -0.24 0.00 0.00 0.00 0.00 60.65 58.90 1wfj s ILE 94 Cb -0.16 -3.72 -0.09 0.00 0.01 0.00 0.00 42.46 38.50 1wfj s ILE 94 CO 0.14 -0.69 1.06 -2.16 0.00 0.00 0.00 174.94 173.29 1wfj s PRO 95 N 1.38 4.20 0.00 2.79 0.04 -1.26 0.31 135.00 142.46 1wfj s PRO 95 Ca 0.05 1.55 0.23 0.00 0.04 0.00 0.00 61.00 62.86 1wfj s PRO 95 Cb -0.25 -2.60 0.20 0.00 0.04 0.00 0.00 34.50 31.89 1wfj s PRO 95 CO 0.00 -0.12 1.23 1.28 0.04 0.00 0.00 177.00 179.43 1wfj n LEU 96 N 0.04 2.93 -0.29 -3.56 4.77 -0.86 -4.34 117.00 115.68 1wfj n LEU 96 Ca 0.04 -1.05 -0.02 0.00 -0.03 0.00 0.00 56.01 54.96 1wfj n LEU 96 Cb 0.49 -0.02 0.11 0.00 -2.33 0.00 0.00 43.42 41.66 1wfj n LEU 96 CO 0.46 0.51 1.19 -0.08 -1.33 0.00 0.00 177.39 178.14 1wfj h GLU 97 N 4.42 0.96 -0.00 3.23 4.81 -1.93 0.68 114.58 126.75 1wfj h GLU 97 Ca 0.00 -0.06 -0.16 0.00 -0.13 0.00 0.00 59.36 59.01 1wfj h GLU 97 Cb 0.94 -0.22 -0.02 0.00 0.63 0.00 0.00 28.75 30.09 1wfj h GLU 97 CO 0.00 0.63 -0.75 -1.00 -0.73 0.00 0.00 179.01 177.16 1wfj h PRO 98 N 0.99 0.02 -0.01 0.92 0.13 -1.95 -2.45 132.00 129.65 1wfj h PRO 98 Ca 0.33 -0.02 0.00 0.00 -0.87 0.00 0.00 66.00 65.44 1wfj h PRO 98 Cb 0.04 0.00 0.00 0.00 0.13 0.00 0.00 31.00 31.18 1wfj h PRO 98 CO -0.13 0.76 -0.03 1.55 -0.23 0.00 0.00 178.00 179.92 1wfj n VAL 99 N -3.65 0.00 -0.10 1.56 3.14 -0.69 -1.38 118.33 117.20 1wfj n VAL 99 Ca -0.01 -0.16 -0.11 0.00 -2.96 0.00 0.00 64.34 61.10 1wfj n VAL 99 Cb 0.73 0.18 -0.15 0.00 -1.06 0.00 0.00 33.84 33.53 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 -0.31 0.08 -0.06 1.45 3.72 0.23 -2.84 117.46 119.72 1wfj n PHE 100 Ca 0.19 0.03 -0.11 0.00 -0.05 0.00 0.00 57.45 57.51 1wfj n PHE 100 Cb 0.29 -1.01 -0.15 0.00 -0.94 0.00 0.00 39.48 37.66 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 -2.87 1.52 0.04 -4.37 0.24 -0.95 -4.28 118.33 107.65 1wfj n VAL 101 Ca -0.34 -0.80 -0.13 0.00 -2.04 0.00 0.00 64.34 61.03 1wfj n VAL 101 Cb 1.12 -0.87 -0.14 0.00 -1.47 0.00 0.00 33.84 32.49 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 0.01 0.13 0.00 7.34 4.39 -1.45 -3.48 114.58 121.53 1wfj h GLU 102 Ca -0.44 -0.23 0.00 0.00 0.34 0.00 0.00 59.36 59.03 1wfj h GLU 102 Cb 2.11 0.09 0.00 0.00 -0.10 0.00 0.00 28.75 30.85 1wfj h GLU 102 CO 0.04 0.94 0.00 0.41 -1.16 0.00 0.00 179.01 179.24 1wfj n GLY 103 N 1.59 2.00 3.64 -3.84 0.00 -1.13 -4.93 105.19 102.52 1wfj n GLY 103 Ca -0.14 0.00 -0.04 0.00 0.00 0.00 0.00 46.02 45.85 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 -3.43 -0.32 -0.01 1.61 1.04 -1.26 -3.10 113.70 108.23 1wfj s SER 104 Ca 0.00 0.56 0.04 0.00 0.48 0.00 0.00 55.95 57.03 1wfj s SER 104 Cb 0.00 0.86 -0.01 0.00 0.10 0.00 0.00 66.02 66.97 1wfj s SER 104 CO 0.00 -0.09 -0.12 -0.63 0.98 0.00 0.00 173.24 173.38 1wfj s ILE 105 N 0.70 0.92 0.93 -1.02 -1.09 0.39 -4.87 121.20 117.16 1wfj s ILE 105 Ca -0.02 -0.53 -0.13 0.00 -2.23 0.00 0.00 60.65 57.74 1wfj s ILE 105 Cb -0.04 -0.78 0.15 0.00 -1.58 0.00 0.00 42.46 40.21 1wfj s ILE 105 CO -0.12 0.24 1.15 -2.16 -1.23 0.00 0.00 174.94 172.82 1wfj s PRO 106 N -0.33 0.99 -0.57 2.79 0.04 -1.26 -1.73 135.00 134.92 1wfj s PRO 106 Ca 0.04 0.23 -0.28 0.00 0.04 0.00 0.00 61.00 61.04 1wfj s PRO 106 Cb -0.05 -1.83 0.01 0.00 0.04 0.00 0.00 34.50 32.67 1wfj s PRO 106 CO -0.00 -2.29 1.50 -1.25 0.04 0.00 0.00 177.00 175.00 1wfj s PRO 107 N -5.32 3.18 0.08 0.56 0.04 -1.26 -4.33 135.00 127.95 1wfj s PRO 107 Ca 0.65 0.48 0.07 0.00 0.04 0.00 0.00 61.00 62.24 1wfj s PRO 107 Cb -0.14 -4.18 -0.04 0.00 0.04 0.00 0.00 34.50 30.18 1wfj s PRO 107 CO 0.53 -2.09 -0.14 0.99 0.04 0.00 0.00 177.00 176.33 1wfj s THR 108 N 6.60 3.08 -0.70 1.26 2.01 -0.72 -4.71 115.64 122.47 1wfj s THR 108 Ca 0.55 -1.26 -0.27 0.00 0.31 0.00 0.00 61.69 61.01 1wfj s THR 108 Cb -0.12 -2.38 0.03 0.00 0.01 0.00 0.00 72.50 70.04 1wfj s THR 108 CO 0.24 0.20 1.28 0.00 -0.69 0.00 0.00 174.62 175.65 1wfj s ALA 109 N -1.09 2.79 0.16 7.40 0.00 -1.25 -2.08 121.76 127.68 1wfj s ALA 109 Ca 0.18 -1.23 -0.30 0.00 0.00 0.00 0.00 51.96 50.61 1wfj s ALA 109 Cb -0.11 -4.21 -0.07 0.00 0.00 0.00 0.00 23.12 18.73 1wfj s ALA 109 CO 0.10 -3.17 0.98 0.71 0.00 0.00 0.00 175.76 174.37 1wfj s TYR 110 N 5.67 3.82 0.07 0.00 2.02 0.43 -4.58 117.35 124.77 1wfj s TYR 110 Ca 0.38 1.80 -0.36 0.00 -0.37 0.00 0.00 57.07 58.51 1wfj s TYR 110 Cb -0.08 -3.08 -0.15 0.00 -0.40 0.00 0.00 41.96 38.25 1wfj s TYR 110 CO 0.17 0.13 1.49 0.09 -1.57 0.00 0.00 175.55 175.86 1wfj n ASN 111 N 2.38 2.31 -4.26 2.29 4.13 -1.26 -0.39 115.26 120.46 1wfj n ASN 111 Ca 0.01 1.09 -0.36 0.00 1.68 0.00 0.00 54.58 57.01 1wfj n ASN 111 Cb 0.48 -1.28 -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 1.14 3.45 0.45 2.41 1.01 0.96 -4.36 120.40 125.47 1wfj s VAL 112 Ca 0.84 -0.97 0.06 0.00 0.00 0.00 0.00 61.98 61.91 1wfj s VAL 112 Cb -0.86 -2.83 -0.02 0.00 0.00 0.00 0.00 36.38 32.66 1wfj s VAL 112 CO 0.46 0.04 0.25 0.68 0.00 0.00 0.00 175.10 176.53 1wfj s VAL 113 N 1.39 2.12 -0.37 2.92 -7.23 -0.13 0.13 120.40 119.24 1wfj s VAL 113 Ca -0.00 -1.62 0.04 0.00 -1.81 0.00 0.00 61.98 58.59 1wfj s VAL 113 Cb -0.18 -2.74 0.16 0.00 0.56 0.00 0.00 36.38 34.19 1wfj s VAL 113 CO -0.00 0.00 0.42 -0.75 -0.31 0.00 0.00 175.10 174.46 1wfj s LYS 114 N -4.03 0.66 0.00 4.82 2.47 0.20 -0.40 119.74 123.46 1wfj s LYS 114 Ca 0.38 -0.72 0.00 0.00 -1.56 0.00 0.00 55.97 54.07 1wfj s LYS 114 Cb 0.01 -0.57 0.00 0.00 -1.46 0.00 0.00 37.83 35.81 1wfj s LYS 114 CO 0.22 -1.19 0.00 -3.47 0.16 0.00 0.00 175.35 171.07 1wfj n ASP 115 N 4.33 0.00 0.00 1.43 -0.08 -1.26 -3.38 116.55 117.59 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 0.47 0.00 0.00 0.00 2.34 0.00 0.00 41.12 43.93 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 -0.49 0.00 -3.10 -0.67 0.28 -1.26 -5.14 120.64 110.25 1wfj n GLU 116 Ca 0.00 0.00 -0.32 0.00 -0.16 0.00 0.00 57.16 56.68 1wfj n GLU 116 Cb 0.00 0.00 -0.05 0.00 1.43 0.00 0.00 31.44 32.82 1wfj n GLU 116 CO 0.00 0.00 0.00 -1.21 -0.16 0.00 0.00 177.13 175.76 1wfj s GLU 117 N 0.00 3.93 -0.38 3.44 0.41 -1.22 -5.00 118.70 119.88 1wfj s GLU 117 Ca 0.00 0.58 -0.24 0.00 -0.41 0.00 0.00 54.97 54.90 1wfj s GLU 117 Cb 0.00 -2.44 0.01 0.00 -1.78 0.00 0.00 34.13 29.92 1wfj s GLU 117 CO 0.00 0.13 0.85 -0.47 -0.49 0.00 0.00 175.26 175.28 1wfj s TYR 118 N -2.06 3.07 -0.13 1.61 5.04 -1.26 0.61 117.35 124.23 1wfj s TYR 118 Ca 0.53 0.59 -0.16 0.00 -2.44 0.00 0.00 57.07 55.59 1wfj s TYR 118 Cb -0.10 -3.56 -0.13 0.00 0.35 0.00 0.00 41.96 38.51 1wfj s TYR 118 CO 0.21 -0.82 0.34 0.87 -1.34 0.00 0.00 175.55 174.81 1wfj h LYS 119 N 8.57 0.00 0.00 4.97 1.79 0.83 -3.48 116.57 129.25 1wfj h LYS 119 Ca -0.24 0.00 0.00 0.00 -2.18 0.00 0.00 60.65 58.23 1wfj h LYS 119 Cb 1.09 0.00 0.00 0.00 -1.58 0.00 0.00 32.23 31.74 1wfj h LYS 119 CO 0.95 0.54 0.00 0.41 -1.08 0.00 0.00 179.45 180.27 1wfj n GLY 120 N 1.66 1.61 3.03 3.86 0.00 -0.70 -3.26 105.19 111.39 1wfj n GLY 120 Ca -0.08 0.09 -0.10 0.00 0.00 0.00 0.00 46.02 45.94 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 4.64 0.45 -0.13 1.61 -1.05 -0.11 -0.03 118.70 124.09 1wfj s GLU 121 Ca 0.00 -0.81 0.01 0.00 -0.15 0.00 0.00 54.97 54.01 1wfj s GLU 121 Cb 0.00 0.02 0.02 0.00 -0.44 0.00 0.00 34.13 33.73 1wfj s GLU 121 CO 0.00 -0.04 -0.13 -1.50 0.95 0.00 0.00 175.26 174.54 1wfj s ILE 122 N -2.07 1.44 -0.22 1.83 2.07 0.47 -1.72 121.20 123.00 1wfj s ILE 122 Ca -0.08 -0.57 -0.22 0.00 -1.41 0.00 0.00 60.65 58.37 1wfj s ILE 122 Cb -0.05 -1.36 -0.02 0.00 0.13 0.00 0.00 42.46 41.16 1wfj s ILE 122 CO -0.03 0.44 0.71 0.26 -1.91 0.00 0.00 174.94 174.41 1wfj s TRP 123 N 1.39 3.34 -0.09 3.50 0.52 0.45 0.16 118.94 128.21 1wfj s TRP 123 Ca 0.02 1.00 -0.18 0.00 0.02 0.00 0.00 56.10 56.96 1wfj s TRP 123 Cb -0.13 -2.91 0.04 0.00 -1.15 0.00 0.00 33.47 29.32 1wfj s TRP 123 CO -0.08 -0.28 0.44 0.08 0.02 0.00 0.00 176.95 177.13 1wfj s VAL 124 N 2.35 0.02 0.10 4.03 1.01 -0.88 -2.09 120.40 124.93 1wfj s VAL 124 Ca 0.31 -0.19 0.06 0.00 0.00 0.00 0.00 61.98 62.16 1wfj s VAL 124 Cb -0.16 -0.70 -0.04 0.00 0.00 0.00 0.00 36.38 35.48 1wfj s VAL 124 CO 0.09 -0.11 -0.08 0.00 0.00 0.00 0.00 175.10 175.01 1wfj s ALA 125 N -0.67 3.04 0.01 5.51 0.00 0.04 -1.75 121.76 127.95 1wfj s ALA 125 Ca -0.08 -1.21 0.06 0.00 0.00 0.00 0.00 51.96 50.73 1wfj s ALA 125 Cb -0.03 -0.97 -0.02 0.00 0.00 0.00 0.00 23.12 22.10 1wfj s ALA 125 CO 0.04 0.66 -0.19 -0.51 0.00 0.00 0.00 175.76 175.76 1wfj s LEU 126 N -2.22 2.10 -0.35 0.00 1.43 -0.71 -0.79 118.68 118.14 1wfj s LEU 126 Ca 0.22 -0.41 0.03 0.00 -1.03 0.00 0.00 54.13 52.94 1wfj s LEU 126 Cb -0.11 -0.92 0.16 0.00 0.03 0.00 0.00 46.19 45.34 1wfj s LEU 126 CO 0.15 0.18 0.40 -0.44 0.23 0.00 0.00 176.35 176.87 1wfj s SER 127 N -0.78 0.81 0.65 2.29 0.01 -0.84 0.15 113.70 115.98 1wfj s SER 127 Ca 0.07 -1.15 -0.12 0.00 1.31 0.00 0.00 55.95 56.06 1wfj s SER 127 Cb -0.08 0.80 -0.02 0.00 0.21 0.00 0.00 66.02 66.94 1wfj s SER 127 CO 0.00 -0.29 1.05 0.12 0.41 0.00 0.00 173.24 174.53 1wfj s PHE 128 N 1.82 3.26 -0.38 2.43 5.36 -1.18 -0.78 117.98 128.51 1wfj s PHE 128 Ca 0.14 1.40 0.04 0.00 -0.96 0.00 0.00 56.93 57.55 1wfj s PHE 128 Cb -0.13 -2.85 0.16 0.00 -0.34 0.00 0.00 43.02 39.86 1wfj s PHE 128 CO -0.13 -1.01 0.40 0.15 -1.46 0.00 0.00 175.22 173.17 1wfj s LYS 129 N -4.87 0.68 0.34 10.12 1.02 0.53 -4.69 119.74 122.86 1wfj s LYS 129 Ca 0.58 -0.86 -0.27 0.00 0.02 0.00 0.00 55.97 55.44 1wfj s LYS 129 Cb -0.13 -0.66 -0.09 0.00 -0.52 0.00 0.00 37.83 36.43 1wfj s LYS 129 CO 0.50 -1.21 1.07 -1.25 -0.92 0.00 0.00 175.35 173.55 1wfj s PRO 130 N 1.41 4.42 -0.97 -1.68 0.04 -1.26 -0.08 135.00 136.87 1wfj s PRO 130 Ca 0.17 1.65 -0.25 0.00 0.04 0.00 0.00 61.00 62.62 1wfj s PRO 130 Cb -0.14 -2.88 -0.11 0.00 0.04 0.00 0.00 34.50 31.40 1wfj s PRO 130 CO -0.03 0.05 2.10 0.45 0.04 0.00 0.00 177.00 179.62 1wfj s SER 131 N -1.22 4.45 0.00 6.66 0.15 -1.16 -4.90 113.70 117.68 1wfj s SER 131 Ca 0.51 -0.75 0.00 0.00 0.70 0.00 0.00 55.95 56.41 1wfj s SER 131 Cb -0.27 -2.57 0.00 0.00 -1.71 0.00 0.00 66.02 61.47 1wfj s SER 131 CO 0.34 -3.52 0.00 0.61 1.20 0.00 0.00 173.24 171.87 1wfj n GLY 132 N 6.49 -0.08 0.19 9.45 0.00 -1.26 -4.98 105.19 115.00 1wfj n GLY 132 Ca 0.43 -1.51 -0.19 0.00 0.00 0.00 0.00 46.02 44.76 1wfj n GLY 132 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1wfj h PRO 133 N 0.00 0.66 -4.15 1.61 0.13 -2.06 -3.45 132.00 124.74 1wfj h PRO 133 Ca 0.00 -0.64 -0.36 0.00 -0.87 0.00 0.00 66.00 64.13 1wfj h PRO 133 Cb 0.00 0.16 -0.31 0.00 0.13 0.00 0.00 31.00 30.99 1wfj h PRO 133 CO 0.00 1.24 -0.76 0.45 -0.23 0.00 0.00 178.00 178.70 1wfj s SER 134 N -7.08 0.70 -0.47 1.44 0.15 -1.26 -5.10 113.70 102.08 1wfj s SER 134 Ca -0.11 -0.10 0.03 0.00 0.70 0.00 0.00 55.95 56.47 1wfj s SER 134 Cb 0.07 -0.21 0.14 0.00 -1.71 0.00 0.00 66.02 64.30 1wfj s SER 134 CO 0.89 0.01 0.27 -0.44 1.20 0.00 0.00 173.24 175.16 1wfj s SER 135 N 0.37 3.65 0.00 5.45 0.01 -1.26 -5.11 113.70 116.81 1wfj s SER 135 Ca -0.04 -2.79 0.00 0.00 1.31 0.00 0.00 55.95 54.43 1wfj s SER 135 Cb -0.08 -1.09 0.00 0.00 0.21 0.00 0.00 66.02 65.06 1wfj s SER 135 CO -0.00 -0.24 0.00 0.61 0.41 0.00 0.00 173.24 174.01