#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 -1.93 -4.55 1.61 2.88 -1.26 -5.11 113.62 105.26 1wfj n SER 2 Ca 0.00 0.66 -0.35 0.00 -1.33 0.00 0.00 58.87 57.85 1wfj n SER 2 Cb 0.00 2.04 -0.11 0.00 -0.75 0.00 0.00 64.21 65.39 1wfj n SER 2 CO 0.00 0.00 0.00 -0.44 -1.23 0.00 0.00 175.04 173.37 1wfj s SER 3 N -2.00 5.30 0.04 -3.46 0.01 -1.26 -5.10 113.70 107.24 1wfj s SER 3 Ca 0.00 -0.05 0.01 0.00 1.31 0.00 0.00 55.95 57.22 1wfj s SER 3 Cb 0.00 -1.91 0.01 0.00 0.21 0.00 0.00 66.02 64.32 1wfj s SER 3 CO 0.00 0.11 0.05 0.61 0.41 0.00 0.00 173.24 174.42 1wfj n GLY 4 N 3.95 2.28 3.10 3.44 0.00 -1.26 -5.14 105.19 111.56 1wfj n GLY 4 Ca -0.17 -2.15 -0.22 0.00 0.00 0.00 0.00 46.02 43.48 1wfj n GLY 4 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 1wfj s SER 5 N -1.25 1.65 0.14 1.61 0.15 -1.26 -5.15 113.70 109.60 1wfj s SER 5 Ca 0.04 -0.26 0.01 0.00 0.70 0.00 0.00 55.95 56.44 1wfj s SER 5 Cb -0.00 -0.25 -0.04 0.00 -1.71 0.00 0.00 66.02 64.02 1wfj s SER 5 CO 0.02 0.16 -0.01 -0.94 1.20 0.00 0.00 173.24 173.67 1wfj s SER 6 N -0.22 1.04 0.37 5.45 1.04 -1.26 -5.17 113.70 114.94 1wfj s SER 6 Ca 0.03 -1.12 0.07 0.00 0.48 0.00 0.00 55.95 55.42 1wfj s SER 6 Cb -0.06 0.14 -0.01 0.00 0.10 0.00 0.00 66.02 66.18 1wfj s SER 6 CO -0.00 -0.56 0.43 -0.83 0.98 0.00 0.00 173.24 173.26 1wfj s GLY 7 N -3.11 1.80 0.21 7.32 0.00 -1.26 -5.13 107.32 107.16 1wfj s GLY 7 Ca 0.19 -1.62 -0.03 0.00 0.00 0.00 0.00 44.72 43.26 1wfj s GLY 7 CO 0.00 -1.50 0.23 -1.55 0.00 0.00 0.00 173.10 170.28 1wfj n PRO 8 N -1.61 -0.82 -3.57 2.90 -0.04 -1.26 -5.11 135.00 125.49 1wfj n PRO 8 Ca 0.02 -0.36 0.02 0.00 -0.04 0.00 0.00 63.50 63.14 1wfj n PRO 8 Cb 0.59 -0.28 -0.06 0.00 -0.04 0.00 0.00 33.50 33.71 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 -1.46 -0.12 0.00 0.54 -3.43 -1.26 -4.71 115.29 104.85 1wfj s HIS 9 Ca 0.14 0.23 0.00 0.00 -0.80 0.00 0.00 55.06 54.63 1wfj s HIS 9 Cb -0.01 0.07 0.00 0.00 -1.43 0.00 0.00 32.58 31.21 1wfj s HIS 9 CO 0.10 -0.06 0.00 0.41 -2.00 0.00 0.00 174.74 173.19 1wfj n GLY 10 N 3.39 -0.71 3.69 -1.38 0.00 -0.54 -3.26 105.19 106.37 1wfj n GLY 10 Ca -0.16 -0.18 -0.27 0.00 0.00 0.00 0.00 46.02 45.41 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 -3.50 3.89 0.05 2.61 2.01 0.11 0.10 115.64 120.90 1wfj s THR 11 Ca 0.00 -1.29 0.06 0.00 0.31 0.00 0.00 61.69 60.77 1wfj s THR 11 Cb 0.00 -2.94 -0.02 0.00 0.01 0.00 0.00 72.50 69.55 1wfj s THR 11 CO 0.00 -0.07 -0.18 -0.22 -0.69 0.00 0.00 174.62 173.47 1wfj s LEU 12 N -2.85 2.18 -0.13 4.42 2.96 0.55 0.16 118.68 125.97 1wfj s LEU 12 Ca 0.28 -0.51 0.01 0.00 -0.22 0.00 0.00 54.13 53.69 1wfj s LEU 12 Cb -0.10 -0.80 -0.01 0.00 0.50 0.00 0.00 46.19 45.78 1wfj s LEU 12 CO 0.19 0.10 -0.17 -0.70 -1.32 0.00 0.00 176.35 174.45 1wfj s GLU 13 N -1.21 3.23 -0.29 1.98 2.12 0.52 -0.25 118.70 124.79 1wfj s GLU 13 Ca 0.05 -0.77 0.02 0.00 0.36 0.00 0.00 54.97 54.63 1wfj s GLU 13 Cb -0.08 -2.53 0.07 0.00 0.26 0.00 0.00 34.13 31.85 1wfj s GLU 13 CO 0.02 0.14 -0.04 0.08 -0.54 0.00 0.00 175.26 174.91 1wfj s VAL 14 N 0.50 2.37 -0.81 3.70 1.01 -0.04 -0.48 120.40 126.66 1wfj s VAL 14 Ca -0.11 -1.77 -0.14 0.00 0.00 0.00 0.00 61.98 59.95 1wfj s VAL 14 Cb -0.16 -2.48 0.21 0.00 0.00 0.00 0.00 36.38 33.95 1wfj s VAL 14 CO 0.05 -0.20 0.75 -0.69 0.00 0.00 0.00 175.10 175.02 1wfj s VAL 15 N 1.08 5.56 -1.07 2.92 1.01 0.36 -0.07 120.40 130.19 1wfj s VAL 15 Ca -0.03 -2.37 -0.23 0.00 0.00 0.00 0.00 61.98 59.35 1wfj s VAL 15 Cb -0.20 -4.47 -0.03 0.00 0.00 0.00 0.00 36.38 31.68 1wfj s VAL 15 CO -0.05 -1.03 1.85 -0.22 0.00 0.00 0.00 175.10 175.65 1wfj s LEU 16 N 0.34 3.26 0.00 3.92 2.96 -1.11 -1.71 118.68 126.33 1wfj s LEU 16 Ca 0.17 -1.37 0.00 0.00 -0.22 0.00 0.00 54.13 52.71 1wfj s LEU 16 Cb -0.12 -2.57 0.00 0.00 0.50 0.00 0.00 46.19 44.00 1wfj s LEU 16 CO -0.08 -2.50 0.04 0.52 -1.32 0.00 0.00 176.35 173.01 1wfj n VAL 17 N 7.53 0.00 -3.19 1.68 0.31 -1.04 0.65 118.33 124.27 1wfj n VAL 17 Ca 0.42 0.47 0.00 0.00 -0.01 0.00 0.00 64.34 65.22 1wfj n VAL 17 Cb 0.47 -1.35 0.00 0.00 -0.91 0.00 0.00 33.84 32.05 1wfj n VAL 17 CO 0.00 0.00 0.00 -0.24 -1.32 0.00 0.00 176.83 175.27 1wfj n SER 18 N -0.04 0.00 -3.68 4.52 2.88 -1.11 0.80 113.62 116.99 1wfj n SER 18 Ca 0.00 -0.94 -0.13 0.00 -1.33 0.00 0.00 58.87 56.47 1wfj n SER 18 Cb 0.00 0.00 -0.09 0.00 -0.75 0.00 0.00 64.21 63.37 1wfj n SER 18 CO 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 175.04 173.81 1wfj s ALA 19 N -1.25 -1.40 0.04 -1.46 0.00 -1.19 0.20 121.76 116.71 1wfj s ALA 19 Ca 0.00 1.60 0.08 0.00 0.00 0.00 0.00 51.96 53.64 1wfj s ALA 19 Cb 0.00 -0.93 -0.03 0.00 0.00 0.00 0.00 23.12 22.16 1wfj s ALA 19 CO 0.00 -0.27 -0.22 0.15 0.00 0.00 0.00 175.76 175.42 1wfj s LYS 20 N 0.33 1.54 0.00 0.00 1.02 -0.50 -3.37 119.74 118.76 1wfj s LYS 20 Ca -0.00 -0.97 0.00 0.00 0.02 0.00 0.00 55.97 55.01 1wfj s LYS 20 Cb -0.04 -1.66 0.00 0.00 -0.52 0.00 0.00 37.83 35.61 1wfj s LYS 20 CO 0.00 0.43 0.00 0.41 -0.92 0.00 0.00 175.35 175.27 1wfj n GLY 21 N 1.89 1.38 3.76 -3.33 0.00 -1.23 -0.92 105.19 106.75 1wfj n GLY 21 Ca -0.17 -1.68 -0.28 0.00 0.00 0.00 0.00 46.02 43.89 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 -1.23 -4.67 117.00 116.87 1wfj n LEU 22 Ca 0.00 -2.98 0.12 0.00 -0.03 0.00 0.00 56.01 53.11 1wfj n LEU 22 Cb 0.00 0.09 0.13 0.00 -2.33 0.00 0.00 43.42 41.32 1wfj n LEU 22 CO 0.00 -0.54 0.26 -1.84 -1.33 0.00 0.00 177.39 173.94 1wfj n GLU 23 N -1.62 0.11 -2.48 3.23 -0.00 -1.26 -4.07 120.64 114.55 1wfj n GLU 23 Ca -0.09 0.01 -0.13 0.00 -0.00 0.00 0.00 57.16 56.96 1wfj n GLU 23 Cb 0.63 -1.55 0.03 0.00 -0.00 0.00 0.00 31.44 30.56 1wfj n GLU 23 CO 0.00 0.00 0.00 -3.47 0.00 0.00 0.00 177.13 173.66 1wfj n ASP 24 N -1.69 3.11 -3.41 -1.84 2.03 -1.26 -4.99 116.55 108.49 1wfj n ASP 24 Ca 0.04 -2.90 0.01 0.00 0.52 0.00 0.00 54.79 52.46 1wfj n ASP 24 Cb 0.37 -0.43 -0.03 0.00 -0.72 0.00 0.00 41.12 40.31 1wfj n ASP 24 CO 0.00 0.00 0.00 0.00 -1.92 0.00 0.00 177.20 175.28 1wfj s ALA 25 N -3.63 -2.26 -0.60 -1.67 0.00 -1.26 -5.11 121.76 107.23 1wfj s ALA 25 Ca 0.38 2.09 -0.28 0.00 0.00 0.00 0.00 51.96 54.15 1wfj s ALA 25 Cb 0.38 -1.99 0.02 0.00 0.00 0.00 0.00 23.12 21.53 1wfj s ALA 25 CO -0.02 -1.11 1.36 0.34 0.00 0.00 0.00 175.76 176.34 1wfj s ASP 26 N 2.85 6.16 -0.06 0.00 2.15 -1.26 -3.97 116.67 122.53 1wfj s ASP 26 Ca 0.05 0.11 -0.03 0.00 0.43 0.00 0.00 52.55 53.11 1wfj s ASP 26 Cb -0.12 -2.55 0.04 0.00 -0.30 0.00 0.00 42.92 39.98 1wfj s ASP 26 CO -0.19 -1.72 0.10 0.12 -0.17 0.00 0.00 175.17 173.31 1wfj s PHE 27 N 5.92 -0.03 -0.68 -5.34 5.36 -1.26 -4.82 117.98 117.13 1wfj s PHE 27 Ca 0.48 0.38 -0.02 0.00 -0.96 0.00 0.00 56.93 56.80 1wfj s PHE 27 Cb -0.10 -0.40 0.00 0.00 -0.34 0.00 0.00 43.02 42.18 1wfj s PHE 27 CO 0.23 -0.23 0.28 1.28 -1.46 0.00 0.00 175.22 175.31 1wfj n LEU 28 N 5.31 -2.06 0.00 6.12 4.77 -1.26 -4.56 117.00 125.33 1wfj n LEU 28 Ca -0.04 -0.13 0.00 0.00 -0.03 0.00 0.00 56.01 55.81 1wfj n LEU 28 Cb 0.50 -1.58 0.00 0.00 -2.33 0.00 0.00 43.42 40.01 1wfj n LEU 28 CO 0.05 0.11 0.00 -3.20 -1.33 0.00 0.00 177.39 173.02 1wfj n ASN 29 N -0.12 0.00 -3.53 -1.43 2.85 -1.26 -1.08 115.26 110.68 1wfj n ASN 29 Ca -0.05 0.00 -0.40 0.00 -0.11 0.00 0.00 54.58 54.02 1wfj n ASN 29 Cb 0.55 0.00 -0.06 0.00 1.24 0.00 0.00 39.78 41.51 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 2.39 -2.00 1.20 4.13 -1.26 -4.08 115.26 115.64 1wfj n ASN 30 Ca 0.00 -2.59 -0.08 0.00 1.68 0.00 0.00 54.58 53.59 1wfj n ASN 30 Cb 0.00 -0.98 -0.03 0.00 -1.54 0.00 0.00 39.78 37.23 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 6.83 0.31 -3.50 3.52 0.00 -1.26 -4.92 117.12 118.11 1wfj n MET 31 Ca 0.47 -1.31 -0.27 0.00 0.00 0.00 0.00 57.70 56.59 1wfj n MET 31 Cb 0.37 0.98 -0.09 0.00 0.00 0.00 0.00 33.22 34.48 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 -2.33 3.44 -4.48 3.17 9.92 -1.25 -1.82 116.55 123.20 1wfj n ASP 32 Ca 0.02 -3.36 -0.29 0.00 -0.53 0.00 0.00 54.79 50.62 1wfj n ASP 32 Cb 0.24 -0.68 0.16 0.00 -0.64 0.00 0.00 41.12 40.20 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 -2.22 0.60 -0.27 -0.24 0.04 -1.02 -0.06 135.00 131.83 1wfj s PRO 33 Ca 0.37 0.09 -0.25 0.00 0.04 0.00 0.00 61.00 61.25 1wfj s PRO 33 Cb 0.11 -1.79 0.09 0.00 0.04 0.00 0.00 34.50 32.95 1wfj s PRO 33 CO -0.05 -2.52 0.81 1.52 0.04 0.00 0.00 177.00 176.81 1wfj s TYR 34 N -3.34 -0.70 0.23 0.56 -0.85 -1.01 -0.65 117.35 111.59 1wfj s TYR 34 Ca 0.67 1.70 -0.11 0.00 -0.52 0.00 0.00 57.07 58.81 1wfj s TYR 34 Cb -0.12 0.30 -0.07 0.00 0.38 0.00 0.00 41.96 42.45 1wfj s TYR 34 CO 0.54 -0.34 0.58 0.08 -1.52 0.00 0.00 175.55 174.89 1wfj s VAL 35 N 0.36 4.87 -0.34 -3.49 1.01 -1.26 -2.10 120.40 119.46 1wfj s VAL 35 Ca 0.01 0.61 0.01 0.00 0.00 0.00 0.00 61.98 62.61 1wfj s VAL 35 Cb -0.05 -3.64 0.11 0.00 0.00 0.00 0.00 36.38 32.80 1wfj s VAL 35 CO -0.02 -0.04 0.11 -1.58 0.00 0.00 0.00 175.10 173.58 1wfj s GLN 36 N -2.70 0.99 0.72 2.72 0.74 -1.05 -2.08 119.66 119.01 1wfj s GLN 36 Ca 0.47 -1.42 -0.13 0.00 0.05 0.00 0.00 55.36 54.33 1wfj s GLN 36 Cb -0.12 -2.35 0.03 0.00 1.10 0.00 0.00 33.01 31.68 1wfj s GLN 36 CO 0.20 -1.00 1.11 -0.51 -0.55 0.00 0.00 175.29 174.54 1wfj s LEU 37 N 1.24 3.22 -0.19 3.68 2.01 0.13 -3.33 118.68 125.44 1wfj s LEU 37 Ca 0.11 1.98 -0.13 0.00 0.01 0.00 0.00 54.13 56.10 1wfj s LEU 37 Cb -0.19 -4.54 0.06 0.00 0.01 0.00 0.00 46.19 41.52 1wfj s LEU 37 CO -0.17 -1.93 0.48 -0.89 1.01 0.00 0.00 176.35 174.85 1wfj s THR 38 N -2.54 -0.01 -0.35 5.49 2.01 -0.66 -0.94 115.64 118.64 1wfj s THR 38 Ca 0.65 0.04 0.00 0.00 0.31 0.00 0.00 61.69 62.70 1wfj s THR 38 Cb -0.20 -0.69 0.14 0.00 0.01 0.00 0.00 72.50 71.76 1wfj s THR 38 CO 0.48 0.02 0.24 0.00 -0.69 0.00 0.00 174.62 174.67 1wfj n ARG 40 N 4.22 0.00 -2.22 0.00 3.00 -1.26 -1.98 116.66 118.42 1wfj n ARG 40 Ca 0.10 0.00 -0.22 0.00 -0.01 0.00 0.00 57.85 57.72 1wfj n ARG 40 Cb 0.40 0.00 0.02 0.00 0.00 0.00 0.00 32.46 32.87 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 2.31 -3.66 0.55 -2.24 -1.26 -4.98 114.28 105.00 1wfj n THR 41 Ca 0.00 -4.19 -0.08 0.00 -2.27 0.00 0.00 64.05 57.51 1wfj n THR 41 Cb 0.00 -0.85 -0.09 0.00 -2.10 0.00 0.00 70.33 67.29 1wfj n THR 41 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 1wfj s GLN 42 N -3.59 0.38 0.08 -0.78 -2.07 -0.84 -5.16 119.66 107.68 1wfj s GLN 42 Ca 0.47 1.07 0.07 0.00 -1.82 0.00 0.00 55.36 55.15 1wfj s GLN 42 Cb 0.40 0.35 -0.03 0.00 -1.09 0.00 0.00 33.01 32.64 1wfj s GLN 42 CO -0.02 -0.23 -0.18 0.16 -1.32 0.00 0.00 175.29 173.71 1wfj s ASP 43 N 2.45 2.13 -0.10 12.60 1.47 -1.26 0.19 116.67 134.15 1wfj s ASP 43 Ca -0.04 -0.64 -0.04 0.00 1.18 0.00 0.00 52.55 53.01 1wfj s ASP 43 Cb -0.11 -0.10 0.05 0.00 -0.34 0.00 0.00 42.92 42.42 1wfj s ASP 43 CO -0.14 0.00 0.19 -1.10 0.68 0.00 0.00 175.17 174.81 1wfj s GLN 44 N -1.78 0.09 0.18 2.11 -0.21 -0.12 -4.93 119.66 115.00 1wfj s GLN 44 Ca 0.03 0.59 0.05 0.00 0.02 0.00 0.00 55.36 56.04 1wfj s GLN 44 Cb -0.10 -0.18 -0.04 0.00 1.00 0.00 0.00 33.01 33.69 1wfj s GLN 44 CO 0.03 -0.27 0.17 0.15 -2.12 0.00 0.00 175.29 173.25 1wfj s LYS 45 N 2.10 2.98 0.29 2.91 1.02 -1.26 0.21 119.74 127.99 1wfj s LYS 45 Ca -0.00 -0.87 0.02 0.00 0.02 0.00 0.00 55.97 55.15 1wfj s LYS 45 Cb -0.12 -2.67 0.02 0.00 -0.52 0.00 0.00 37.83 34.54 1wfj s LYS 45 CO -0.07 0.47 0.19 0.45 -0.92 0.00 0.00 175.35 175.48 1wfj n SER 46 N -0.54 2.05 -3.69 2.83 2.88 -0.88 -5.00 113.62 111.27 1wfj n SER 46 Ca -0.08 -2.05 -0.18 0.00 -1.33 0.00 0.00 58.87 55.23 1wfj n SER 46 Cb 0.55 0.00 0.12 0.00 -0.75 0.00 0.00 64.21 64.14 1wfj n SER 46 CO 0.00 0.00 0.00 0.59 -1.23 0.00 0.00 175.04 174.40 1wfj n ASN 47 N -1.82 -2.82 -2.28 -3.46 4.13 -1.26 -4.64 115.26 103.10 1wfj n ASN 47 Ca -0.02 -0.29 -0.33 0.00 1.68 0.00 0.00 54.58 55.61 1wfj n ASN 47 Cb 0.34 -0.73 0.07 0.00 -1.54 0.00 0.00 39.78 37.93 1wfj n ASN 47 CO 0.00 0.00 0.00 1.33 0.28 0.00 0.00 177.26 178.87 1wfj n VAL 48 N -4.15 3.47 -1.97 2.41 0.24 -1.24 -4.25 118.33 112.84 1wfj n VAL 48 Ca 0.04 -3.11 -0.00 0.00 -2.04 0.00 0.00 64.34 59.23 1wfj n VAL 48 Cb 0.35 -1.15 0.00 0.00 -1.47 0.00 0.00 33.84 31.57 1wfj n VAL 48 CO 0.00 0.00 0.00 0.00 -2.14 0.00 0.00 176.83 174.69 1wfj n ALA 49 N -0.89 -1.01 -1.68 2.33 0.00 0.17 -2.44 120.51 116.99 1wfj n ALA 49 Ca 0.60 -0.00 -0.43 0.00 0.00 0.00 0.00 53.44 53.61 1wfj n ALA 49 Cb 0.72 -0.00 -0.03 0.00 0.00 0.00 0.00 19.45 20.13 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 -1.29 3.33 0.00 0.00 2.02 -1.26 -3.74 118.70 117.76 1wfj s GLU 50 Ca 0.00 2.05 0.00 0.00 0.02 0.00 0.00 54.97 57.04 1wfj s GLU 50 Cb -0.00 -4.31 0.00 0.00 0.10 0.00 0.00 34.13 29.92 1wfj s GLU 50 CO 0.00 -1.87 0.00 0.41 0.02 0.00 0.00 175.26 173.82 1wfj n GLY 51 N 5.49 0.00 0.02 -1.39 0.00 -0.75 -4.93 105.19 103.63 1wfj n GLY 51 Ca 0.27 0.00 -0.03 0.00 0.00 0.00 0.00 46.02 46.27 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 1.83 1.95 0.00 1.61 2.81 -1.26 -5.03 117.12 119.03 1wfj n MET 52 Ca 0.00 0.01 0.00 0.00 -1.81 0.00 0.00 57.70 55.90 1wfj n MET 52 Cb 0.09 -1.10 0.00 0.00 -0.71 0.00 0.00 33.22 31.50 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 2.98 0.75 2.12 3.03 0.00 -1.26 -4.54 105.19 108.28 1wfj n GLY 53 Ca -0.07 -0.67 -0.01 0.00 0.00 0.00 0.00 46.02 45.27 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 -0.03 -2.82 2.61 -2.24 -0.24 -4.72 114.28 106.83 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 -0.10 0.02 0.00 -2.10 0.00 0.00 70.33 68.15 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 -2.16 -0.12 -2.33 4.28 -2.24 -1.26 -3.50 114.28 106.95 1wfj n THR 55 Ca -0.01 -1.66 -0.41 0.00 -2.27 0.00 0.00 64.05 59.69 1wfj n THR 55 Cb 0.38 0.88 -0.03 0.00 -2.10 0.00 0.00 70.33 69.46 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 0.55 3.26 -0.09 -0.78 0.04 -1.22 -4.76 135.00 132.01 1wfj s PRO 56 Ca 0.32 0.57 -0.05 0.00 0.04 0.00 0.00 61.00 61.88 1wfj s PRO 56 Cb 0.14 -4.15 -0.04 0.00 0.04 0.00 0.00 34.50 30.50 1wfj s PRO 56 CO -0.17 -1.98 0.10 -2.00 0.04 0.00 0.00 177.00 172.99 1wfj s GLU 57 N 5.61 3.29 0.02 4.56 2.12 -1.26 -3.17 118.70 129.87 1wfj s GLU 57 Ca 0.56 -0.24 0.00 0.00 0.36 0.00 0.00 54.97 55.65 1wfj s GLU 57 Cb -0.12 -3.05 0.00 0.00 0.26 0.00 0.00 34.13 31.22 1wfj s GLU 57 CO 0.26 0.74 0.00 0.91 -0.54 0.00 0.00 175.26 176.63 1wfj n TRP 58 N 1.88 -0.02 -2.73 5.30 8.01 0.24 -4.88 117.44 125.23 1wfj n TRP 58 Ca -0.18 0.00 -0.20 0.00 -1.31 0.00 0.00 57.50 55.81 1wfj n TRP 58 Cb 0.54 0.03 0.02 0.00 -2.01 0.00 0.00 31.31 29.89 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 -3.05 -5.62 -2.74 -0.99 3.02 0.21 -4.97 115.26 101.12 1wfj n ASN 59 Ca 0.00 -0.17 -0.07 0.00 -0.03 0.00 0.00 54.58 54.30 1wfj n ASN 59 Cb 0.40 -4.53 0.04 0.00 -0.61 0.00 0.00 39.78 35.08 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 -3.39 0.25 -3.67 3.52 -0.58 -1.07 -4.89 120.64 110.81 1wfj n GLU 60 Ca -0.15 -0.79 -0.13 0.00 -0.42 0.00 0.00 57.16 55.67 1wfj n GLU 60 Cb 0.63 -0.24 -0.13 0.00 -0.57 0.00 0.00 31.44 31.13 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 -0.99 -0.39 -0.18 2.62 2.01 -1.26 -2.74 115.64 114.71 1wfj s THR 61 Ca 0.21 0.27 0.01 0.00 0.31 0.00 0.00 61.69 62.48 1wfj s THR 61 Cb -0.01 -0.44 0.04 0.00 0.01 0.00 0.00 72.50 72.09 1wfj s THR 61 CO 0.14 0.11 -0.11 -0.36 -0.69 0.00 0.00 174.62 173.71 1wfj s PHE 62 N 2.33 2.32 0.30 4.92 0.08 0.89 -4.94 117.98 123.88 1wfj s PHE 62 Ca 0.00 -1.47 -0.21 0.00 0.12 0.00 0.00 56.93 55.38 1wfj s PHE 62 Cb -0.12 -1.62 -0.09 0.00 -0.57 0.00 0.00 43.02 40.62 1wfj s PHE 62 CO -0.09 -0.72 0.82 0.42 -0.10 0.00 0.00 175.22 175.56 1wfj s ILE 63 N 1.43 4.46 -0.04 0.64 -1.09 -1.26 -0.86 121.20 124.48 1wfj s ILE 63 Ca 0.01 1.41 -0.00 0.00 -2.23 0.00 0.00 60.65 59.83 1wfj s ILE 63 Cb -0.15 -3.82 0.03 0.00 -1.58 0.00 0.00 42.46 36.93 1wfj s ILE 63 CO -0.09 0.05 0.00 -0.36 -1.23 0.00 0.00 174.94 173.31 1wfj s PHE 64 N -1.72 0.42 -0.06 3.97 0.08 0.66 -4.96 117.98 116.37 1wfj s PHE 64 Ca 0.50 -0.03 -0.30 0.00 0.12 0.00 0.00 56.93 57.22 1wfj s PHE 64 Cb -0.15 -0.55 -0.05 0.00 -0.57 0.00 0.00 43.02 41.70 1wfj s PHE 64 CO 0.20 -0.19 1.63 0.99 -0.10 0.00 0.00 175.22 177.75 1wfj s THR 65 N 1.38 3.61 -0.09 0.64 2.01 -1.26 -0.33 115.64 121.60 1wfj s THR 65 Ca -0.05 0.75 -0.03 0.00 0.31 0.00 0.00 61.69 62.67 1wfj s THR 65 Cb -0.13 -3.48 -0.04 0.00 0.01 0.00 0.00 72.50 68.86 1wfj s THR 65 CO -0.02 -0.07 0.04 -0.69 -0.69 0.00 0.00 174.62 173.19 1wfj s VAL 66 N 3.99 4.67 0.04 3.82 1.01 0.29 -4.93 120.40 129.30 1wfj s VAL 66 Ca 0.72 -0.13 0.00 0.00 0.00 0.00 0.00 61.98 62.58 1wfj s VAL 66 Cb -0.33 -3.00 0.00 0.00 0.00 0.00 0.00 36.38 33.06 1wfj s VAL 66 CO 0.29 0.60 0.00 -0.24 0.00 0.00 0.00 175.10 175.75 1wfj n SER 67 N 2.05 -0.30 -3.73 3.32 2.88 -1.26 -1.47 113.62 115.11 1wfj n SER 67 Ca -0.19 0.08 -0.14 0.00 -1.33 0.00 0.00 58.87 57.29 1wfj n SER 67 Cb 0.54 0.59 -0.09 0.00 -0.75 0.00 0.00 64.21 64.50 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 -1.09 0.58 0.00 -1.46 -1.05 -1.26 -4.56 118.70 109.85 1wfj s GLU 68 Ca 0.00 0.30 0.00 0.00 -0.15 0.00 0.00 54.97 55.12 1wfj s GLU 68 Cb 0.00 0.27 0.00 0.00 -0.44 0.00 0.00 34.13 33.96 1wfj s GLU 68 CO 0.00 -0.12 0.00 0.41 0.95 0.00 0.00 175.26 176.50 1wfj n GLY 69 N 2.21 1.88 3.56 -3.83 0.00 -1.26 -4.92 105.19 102.82 1wfj n GLY 69 Ca -0.16 -0.35 -0.26 0.00 0.00 0.00 0.00 46.02 45.25 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 -0.36 3.44 -0.12 2.61 2.01 -1.26 -4.52 115.64 117.44 1wfj s THR 70 Ca 0.00 -0.41 0.05 0.00 0.31 0.00 0.00 61.69 61.64 1wfj s THR 70 Cb 0.00 -4.02 -0.07 0.00 0.01 0.00 0.00 72.50 68.42 1wfj s THR 70 CO 0.00 -0.90 0.16 0.35 -0.69 0.00 0.00 174.62 173.54 1wfj n THR 71 N 7.92 0.00 -3.91 -0.82 -2.24 -1.26 -4.83 114.28 109.14 1wfj n THR 71 Ca 0.41 -0.25 -0.08 0.00 -2.27 0.00 0.00 64.05 61.86 1wfj n THR 71 Cb 0.47 0.69 -0.08 0.00 -2.10 0.00 0.00 70.33 69.30 1wfj n THR 71 CO 0.00 0.00 0.00 -1.83 -0.57 0.00 0.00 175.07 172.67 1wfj s GLU 72 N -1.92 0.78 0.04 -0.78 -1.05 -1.26 0.15 118.70 114.66 1wfj s GLU 72 Ca -0.00 -1.01 0.06 0.00 -0.15 0.00 0.00 54.97 53.87 1wfj s GLU 72 Cb 0.03 0.31 -0.03 0.00 -0.44 0.00 0.00 34.13 34.00 1wfj s GLU 72 CO 0.21 -0.23 -0.16 -1.17 0.95 0.00 0.00 175.26 174.86 1wfj s LEU 73 N -2.85 2.73 -0.18 1.83 2.96 0.95 -4.82 118.68 119.30 1wfj s LEU 73 Ca 0.05 -0.37 -0.03 0.00 -0.22 0.00 0.00 54.13 53.56 1wfj s LEU 73 Cb 0.05 -1.59 -0.02 0.00 0.50 0.00 0.00 46.19 45.14 1wfj s LEU 73 CO -0.11 0.26 -0.05 -0.54 -1.32 0.00 0.00 176.35 174.59 1wfj s LYS 74 N -1.47 3.50 -0.25 1.98 3.01 -1.09 -0.89 119.74 124.52 1wfj s LYS 74 Ca 0.15 -0.59 0.00 0.00 -1.01 0.00 0.00 55.97 54.52 1wfj s LYS 74 Cb -0.11 -2.92 0.07 0.00 -1.01 0.00 0.00 37.83 33.87 1wfj s LYS 74 CO 0.06 0.04 0.00 0.00 0.51 0.00 0.00 175.35 175.96 1wfj s ALA 75 N 0.87 1.82 -0.20 5.17 0.00 -0.89 -1.65 121.76 126.88 1wfj s ALA 75 Ca -0.01 -1.44 -0.06 0.00 0.00 0.00 0.00 51.96 50.44 1wfj s ALA 75 Cb -0.15 -1.49 -0.03 0.00 0.00 0.00 0.00 23.12 21.45 1wfj s ALA 75 CO 0.01 -1.34 0.04 0.15 0.00 0.00 0.00 175.76 174.62 1wfj s LYS 76 N 1.46 3.78 0.20 0.00 1.02 -1.21 -0.32 119.74 124.68 1wfj s LYS 76 Ca -0.00 -0.44 -0.23 0.00 0.02 0.00 0.00 55.97 55.32 1wfj s LYS 76 Cb -0.18 -3.18 -0.08 0.00 -0.52 0.00 0.00 37.83 33.87 1wfj s LYS 76 CO -0.11 0.10 0.77 0.42 -0.92 0.00 0.00 175.35 175.61 1wfj s ILE 77 N 0.80 4.44 0.03 2.17 1.09 0.35 -2.53 121.20 127.55 1wfj s ILE 77 Ca 0.02 1.55 0.00 0.00 -1.10 0.00 0.00 60.65 61.13 1wfj s ILE 77 Cb -0.14 -4.02 -0.00 0.00 -1.06 0.00 0.00 42.46 37.24 1wfj s ILE 77 CO 0.02 0.38 0.03 0.49 -0.10 0.00 0.00 174.94 175.76 1wfj n PHE 78 N 1.19 -0.16 -4.42 3.97 3.01 -0.89 -0.12 117.46 120.04 1wfj n PHE 78 Ca -0.04 -0.23 -0.19 0.00 1.01 0.00 0.00 57.45 58.00 1wfj n PHE 78 Cb 0.50 0.03 -0.15 0.00 -0.01 0.00 0.00 39.48 39.85 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 -1.20 1.25 0.38 4.37 -1.08 -1.26 -2.40 116.67 116.73 1wfj s ASP 79 Ca 0.03 -0.23 0.21 0.00 -0.52 0.00 0.00 52.55 52.04 1wfj s ASP 79 Cb 0.00 -0.13 1.27 0.00 -1.46 0.00 0.00 42.92 42.61 1wfj s ASP 79 CO 0.02 0.11 1.62 0.50 0.52 0.00 0.00 175.17 177.94 1wfj h LYS 80 N 5.74 0.14 -2.80 4.34 3.64 -0.77 -0.37 116.57 126.49 1wfj h LYS 80 Ca -0.32 -0.01 -0.74 0.00 -1.27 0.00 0.00 60.65 58.31 1wfj h LYS 80 Cb 1.18 -0.03 -0.33 0.00 -0.41 0.00 0.00 32.23 32.64 1wfj h LYS 80 CO 0.49 0.09 0.29 -0.25 -2.27 0.00 0.00 179.45 177.80 1wfj n ASP 81 N -5.03 5.41 0.00 4.20 8.00 -1.26 -4.69 116.55 123.16 1wfj n ASP 81 Ca 0.35 -3.37 0.00 0.00 0.71 0.00 0.00 54.79 52.48 1wfj n ASP 81 Cb 1.21 -1.09 0.00 0.00 -0.02 0.00 0.00 41.12 41.23 1wfj n ASP 81 CO 0.00 0.00 0.00 0.52 -0.39 0.00 0.00 177.20 177.33 1wfj n VAL 82 N 1.37 0.00 0.00 2.53 0.31 -0.15 -5.12 118.33 117.27 1wfj n VAL 82 Ca 0.27 0.00 0.00 0.00 -0.01 0.00 0.00 64.34 64.60 1wfj n VAL 82 Cb 0.36 0.00 0.00 0.00 -0.91 0.00 0.00 33.84 33.29 1wfj n VAL 82 CO 0.00 0.00 0.00 0.61 -1.32 0.00 0.00 176.83 176.12 1wfj n GLY 83 N -0.23 4.01 0.51 2.92 0.00 -1.25 -4.38 105.19 106.77 1wfj n GLY 83 Ca 0.00 -1.21 0.31 0.00 0.00 0.00 0.00 46.02 45.12 1wfj n GLY 83 CO 0.00 0.00 0.00 -0.91 0.00 0.00 0.00 173.32 172.41 1wfj h THR 84 N 0.00 0.26 0.01 2.61 1.35 -1.93 0.89 112.91 116.11 1wfj h THR 84 Ca 0.00 0.00 -0.27 0.00 -0.55 0.00 0.00 66.41 65.59 1wfj h THR 84 Cb 0.00 0.34 -0.04 0.00 -1.73 0.00 0.00 68.15 66.72 1wfj h THR 84 CO 0.00 0.00 -1.47 -0.62 -0.25 0.00 0.00 175.52 173.18 1wfj n GLU 85 N -3.80 0.59 0.00 4.72 1.02 -1.26 -4.52 120.64 117.39 1wfj n GLU 85 Ca 0.22 0.51 0.00 0.00 -0.02 0.00 0.00 57.16 57.87 1wfj n GLU 85 Cb 1.22 -1.72 0.00 0.00 -0.02 0.00 0.00 31.44 30.92 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 -4.30 0.00 -3.60 1.62 -0.08 0.28 -4.82 116.55 105.65 1wfj n ASP 86 Ca -0.34 0.58 -0.05 0.00 -1.51 0.00 0.00 54.79 53.47 1wfj n ASP 86 Cb 0.74 -0.22 -0.03 0.00 2.34 0.00 0.00 41.12 43.95 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 -2.68 -0.17 -0.25 1.67 2.15 -1.04 -5.02 116.67 111.33 1wfj s ASP 87 Ca 0.00 0.08 -0.05 0.00 0.43 0.00 0.00 52.55 53.01 1wfj s ASP 87 Cb 0.00 0.16 -0.00 0.00 -0.30 0.00 0.00 42.92 42.78 1wfj s ASP 87 CO 0.00 -0.23 0.01 0.00 -0.17 0.00 0.00 175.17 174.78 1wfj s ALA 88 N -1.94 2.93 0.60 3.66 0.00 -1.26 -4.59 121.76 121.15 1wfj s ALA 88 Ca 0.07 -1.30 0.29 0.00 0.00 0.00 0.00 51.96 51.02 1wfj s ALA 88 Cb -0.01 -1.90 1.33 0.00 0.00 0.00 0.00 23.12 22.54 1wfj s ALA 88 CO -0.05 -0.66 1.72 -0.39 0.00 0.00 0.00 175.76 176.39 1wfj h VAL 89 N 5.80 0.24 -2.14 0.00 -1.51 -0.83 -3.44 116.25 114.37 1wfj h VAL 89 Ca -0.36 0.00 0.35 0.00 -1.23 0.00 0.00 66.70 65.46 1wfj h VAL 89 Cb 1.14 0.44 -0.07 0.00 -2.13 0.00 0.00 31.29 30.67 1wfj h VAL 89 CO 0.60 0.00 0.92 -0.83 -1.23 0.00 0.00 177.57 177.03 1wfj s GLY 90 N -3.75 -0.13 0.23 5.19 0.00 -1.17 -4.73 107.32 102.96 1wfj s GLY 90 Ca -0.04 0.02 -0.17 0.00 0.00 0.00 0.00 44.72 44.53 1wfj s GLY 90 CO 0.52 6.04 0.56 -1.83 0.00 0.00 0.00 173.10 178.40 1wfj s GLU 91 N -2.01 1.51 -0.12 2.90 4.04 0.17 0.13 118.70 125.32 1wfj s GLU 91 Ca 0.30 -0.97 -0.18 0.00 0.04 0.00 0.00 54.97 54.16 1wfj s GLU 91 Cb -0.01 0.53 0.04 0.00 0.02 0.00 0.00 34.13 34.72 1wfj s GLU 91 CO -0.01 -0.65 0.46 0.00 -1.84 0.00 0.00 175.26 173.22 1wfj s ALA 92 N -3.91 -1.16 -0.34 -0.84 0.00 0.57 -0.97 121.76 115.10 1wfj s ALA 92 Ca 0.12 1.08 -0.10 0.00 0.00 0.00 0.00 51.96 53.06 1wfj s ALA 92 Cb -0.02 -0.45 0.01 0.00 0.00 0.00 0.00 23.12 22.65 1wfj s ALA 92 CO 0.02 -0.26 0.18 0.99 0.00 0.00 0.00 175.76 176.69 1wfj s THR 93 N -0.36 4.63 -0.44 0.00 2.01 -1.26 -2.09 115.64 118.13 1wfj s THR 93 Ca -0.05 -0.58 -0.07 0.00 0.31 0.00 0.00 61.69 61.29 1wfj s THR 93 Cb -0.03 -3.45 0.11 0.00 0.01 0.00 0.00 72.50 69.14 1wfj s THR 93 CO 0.03 -0.05 0.29 -0.63 -0.69 0.00 0.00 174.62 173.56 1wfj s ILE 94 N 1.60 3.96 0.27 1.82 1.01 -0.07 -4.93 121.20 124.86 1wfj s ILE 94 Ca 0.04 -1.77 -0.30 0.00 0.00 0.00 0.00 60.65 58.62 1wfj s ILE 94 Cb -0.18 -3.59 -0.09 0.00 0.01 0.00 0.00 42.46 38.61 1wfj s ILE 94 CO 0.07 -0.69 1.08 -2.16 0.00 0.00 0.00 174.94 173.24 1wfj s PRO 95 N 1.32 4.67 -0.02 2.79 0.04 -1.26 0.32 135.00 142.85 1wfj s PRO 95 Ca 0.06 1.77 0.21 0.00 0.04 0.00 0.00 61.00 63.08 1wfj s PRO 95 Cb -0.25 -3.20 0.64 0.00 0.04 0.00 0.00 34.50 31.74 1wfj s PRO 95 CO -0.01 0.25 1.54 1.28 0.04 0.00 0.00 177.00 180.10 1wfj n LEU 96 N 1.24 3.96 -0.09 -3.56 4.77 0.39 -4.25 117.00 119.47 1wfj n LEU 96 Ca -0.01 -1.98 -0.10 0.00 -0.03 0.00 0.00 56.01 53.89 1wfj n LEU 96 Cb 0.45 -0.49 0.05 0.00 -2.33 0.00 0.00 43.42 41.09 1wfj n LEU 96 CO 0.54 0.94 0.63 -0.08 -1.33 0.00 0.00 177.39 178.08 1wfj h GLU 97 N 4.17 0.81 0.00 3.23 4.81 -1.89 -1.63 114.58 124.08 1wfj h GLU 97 Ca 0.00 -0.38 -0.08 0.00 -0.13 0.00 0.00 59.36 58.77 1wfj h GLU 97 Cb 1.03 -0.01 -0.01 0.00 0.63 0.00 0.00 28.75 30.39 1wfj h GLU 97 CO 0.03 1.01 -0.40 -1.00 -0.73 0.00 0.00 179.01 177.92 1wfj h PRO 98 N 0.68 0.00 -0.00 0.92 0.13 -1.91 -2.56 132.00 129.25 1wfj h PRO 98 Ca 0.07 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.20 1wfj h PRO 98 Cb 0.86 0.00 0.00 0.00 0.13 0.00 0.00 31.00 31.99 1wfj h PRO 98 CO 0.08 0.40 -0.18 1.55 -0.23 0.00 0.00 178.00 179.62 1wfj n VAL 99 N -3.39 0.00 -0.07 1.56 3.14 -1.08 -1.18 118.33 117.31 1wfj n VAL 99 Ca 0.01 -0.07 -0.10 0.00 -2.96 0.00 0.00 64.34 61.21 1wfj n VAL 99 Cb 0.58 0.05 -0.15 0.00 -1.06 0.00 0.00 33.84 33.26 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 -0.95 0.42 -0.06 1.45 3.72 -0.63 -2.29 117.46 119.12 1wfj n PHE 100 Ca 0.13 0.14 -0.12 0.00 -0.05 0.00 0.00 57.45 57.55 1wfj n PHE 100 Cb 0.31 -1.07 -0.15 0.00 -0.94 0.00 0.00 39.48 37.63 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 -2.91 1.54 0.06 -4.37 0.24 -1.02 -4.37 118.33 107.50 1wfj n VAL 101 Ca -0.28 -0.77 -0.21 0.00 -2.04 0.00 0.00 64.34 61.04 1wfj n VAL 101 Cb 1.11 -0.96 -0.15 0.00 -1.47 0.00 0.00 33.84 32.37 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 0.33 0.00 7.34 4.39 -1.35 -3.48 114.58 121.81 1wfj h GLU 102 Ca -0.44 -0.56 0.00 0.00 0.34 0.00 0.00 59.36 58.70 1wfj h GLU 102 Cb 2.09 0.21 0.00 0.00 -0.10 0.00 0.00 28.75 30.95 1wfj h GLU 102 CO 0.04 1.22 0.00 0.41 -1.16 0.00 0.00 179.01 179.52 1wfj n GLY 103 N 1.83 1.15 3.39 -3.84 0.00 -0.97 -4.95 105.19 101.80 1wfj n GLY 103 Ca -0.24 0.00 0.02 0.00 0.00 0.00 0.00 46.02 45.80 1wfj n GLY 103 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1wfj s SER 104 N -2.92 -0.26 -0.08 1.61 0.01 -1.25 -3.01 113.70 107.79 1wfj s SER 104 Ca 0.00 0.38 0.01 0.00 1.31 0.00 0.00 55.95 57.65 1wfj s SER 104 Cb 0.00 1.25 -0.03 0.00 0.21 0.00 0.00 66.02 67.45 1wfj s SER 104 CO 0.00 -0.06 -0.11 -0.63 0.41 0.00 0.00 173.24 172.86 1wfj s ILE 105 N 1.88 3.33 0.91 1.44 -1.09 0.53 -4.91 121.20 123.29 1wfj s ILE 105 Ca -0.03 -0.60 -0.12 0.00 -2.23 0.00 0.00 60.65 57.66 1wfj s ILE 105 Cb -0.03 -2.35 0.14 0.00 -1.58 0.00 0.00 42.46 38.63 1wfj s ILE 105 CO -0.15 0.57 1.14 -2.16 -1.23 0.00 0.00 174.94 173.11 1wfj s PRO 106 N -0.46 1.17 -0.46 2.79 0.04 -1.26 -2.01 135.00 134.80 1wfj s PRO 106 Ca 0.06 0.30 -0.28 0.00 0.04 0.00 0.00 61.00 61.12 1wfj s PRO 106 Cb -0.12 -1.84 0.01 0.00 0.04 0.00 0.00 34.50 32.59 1wfj s PRO 106 CO 0.02 -2.18 1.44 -1.25 0.04 0.00 0.00 177.00 175.07 1wfj s PRO 107 N -5.28 3.46 0.12 0.56 0.04 -1.26 -4.41 135.00 128.23 1wfj s PRO 107 Ca 0.64 0.80 0.10 0.00 0.04 0.00 0.00 61.00 62.57 1wfj s PRO 107 Cb -0.15 -4.07 -0.04 0.00 0.04 0.00 0.00 34.50 30.28 1wfj s PRO 107 CO 0.53 -1.72 -0.23 0.99 0.04 0.00 0.00 177.00 176.61 1wfj s THR 108 N 5.78 1.98 -0.68 1.26 2.01 -1.10 -4.80 115.64 120.09 1wfj s THR 108 Ca 0.59 -1.68 -0.26 0.00 0.31 0.00 0.00 61.69 60.65 1wfj s THR 108 Cb -0.13 -1.79 0.04 0.00 0.01 0.00 0.00 72.50 70.63 1wfj s THR 108 CO 0.30 -0.02 1.17 0.00 -0.69 0.00 0.00 174.62 175.39 1wfj s ALA 109 N -1.20 2.90 0.21 7.40 0.00 -1.25 -2.11 121.76 127.71 1wfj s ALA 109 Ca 0.11 -1.33 -0.30 0.00 0.00 0.00 0.00 51.96 50.44 1wfj s ALA 109 Cb -0.10 -4.09 -0.08 0.00 0.00 0.00 0.00 23.12 18.85 1wfj s ALA 109 CO 0.05 -2.99 0.99 0.71 0.00 0.00 0.00 175.76 174.53 1wfj s TYR 110 N 5.12 3.83 0.00 0.00 2.02 0.47 -4.57 117.35 124.23 1wfj s TYR 110 Ca 0.34 1.82 -0.36 0.00 -0.37 0.00 0.00 57.07 58.49 1wfj s TYR 110 Cb -0.10 -3.08 -0.15 0.00 -0.40 0.00 0.00 41.96 38.23 1wfj s TYR 110 CO 0.17 0.10 1.56 0.09 -1.57 0.00 0.00 175.55 175.90 1wfj n ASN 111 N 1.81 2.41 -4.23 2.29 4.13 -1.26 -0.15 115.26 120.26 1wfj n ASN 111 Ca -0.00 1.08 -0.36 0.00 1.68 0.00 0.00 54.58 56.98 1wfj n ASN 111 Cb 0.47 -1.26 -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 1.76 3.30 0.41 2.41 1.01 -0.29 -4.37 120.40 124.64 1wfj s VAL 112 Ca 0.87 -1.10 0.07 0.00 0.00 0.00 0.00 61.98 61.83 1wfj s VAL 112 Cb -0.87 -2.79 -0.05 0.00 0.00 0.00 0.00 36.38 32.66 1wfj s VAL 112 CO 0.49 0.00 0.21 0.68 0.00 0.00 0.00 175.10 176.48 1wfj s VAL 113 N 1.35 2.37 -0.36 2.92 -7.23 -0.15 0.15 120.40 119.45 1wfj s VAL 113 Ca -0.02 -1.65 0.01 0.00 -1.81 0.00 0.00 61.98 58.52 1wfj s VAL 113 Cb -0.18 -3.00 0.15 0.00 0.56 0.00 0.00 36.38 33.90 1wfj s VAL 113 CO -0.01 -0.01 0.26 -0.75 -0.31 0.00 0.00 175.10 174.29 1wfj s LYS 114 N -3.93 0.60 0.00 4.82 2.47 0.36 0.41 119.74 124.46 1wfj s LYS 114 Ca 0.42 -1.32 0.00 0.00 -1.56 0.00 0.00 55.97 53.51 1wfj s LYS 114 Cb 0.03 -1.19 0.00 0.00 -1.46 0.00 0.00 37.83 35.20 1wfj s LYS 114 CO 0.23 -1.23 0.00 -3.47 0.16 0.00 0.00 175.35 171.05 1wfj n ASP 115 N 3.96 0.00 0.00 1.43 -0.08 -1.26 -3.22 116.55 117.38 1wfj n ASP 115 Ca 0.14 0.00 0.00 0.00 -1.51 0.00 0.00 54.79 53.42 1wfj n ASP 115 Cb 0.40 0.00 0.00 0.00 2.34 0.00 0.00 41.12 43.86 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 -1.59 0.00 -3.19 -0.67 0.28 -1.26 -5.14 120.64 109.07 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 -0.24 3.44 2.02 -1.20 -4.99 118.70 122.04 1wfj s GLU 117 Ca 0.00 0.82 -0.29 0.00 0.02 0.00 0.00 54.97 55.52 1wfj s GLU 117 Cb 0.00 -3.28 -0.00 0.00 0.10 0.00 0.00 34.13 30.95 1wfj s GLU 117 CO 0.00 0.52 1.21 -0.47 0.02 0.00 0.00 175.26 176.54 1wfj s TYR 118 N -0.75 2.92 -0.17 1.61 5.04 -1.26 0.14 117.35 124.88 1wfj s TYR 118 Ca 0.31 1.07 -0.16 0.00 -2.44 0.00 0.00 57.07 55.85 1wfj s TYR 118 Cb -0.20 -3.61 -0.13 0.00 0.35 0.00 0.00 41.96 38.37 1wfj s TYR 118 CO 0.20 -1.37 0.13 0.87 -1.34 0.00 0.00 175.55 174.04 1wfj h LYS 119 N 8.39 0.00 0.00 4.97 1.79 0.11 -3.48 116.57 128.35 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 1.00 0.59 0.00 0.41 -1.08 0.00 0.00 179.45 180.37 1wfj n GLY 120 N 1.54 1.20 3.26 3.86 0.00 -0.76 -3.58 105.19 110.72 1wfj n GLY 120 Ca -0.19 0.30 -0.13 0.00 0.00 0.00 0.00 46.02 46.01 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 3.64 0.73 -0.12 1.61 -1.05 -0.09 -1.13 118.70 122.28 1wfj s GLU 121 Ca 0.00 -0.23 0.03 0.00 -0.15 0.00 0.00 54.97 54.61 1wfj s GLU 121 Cb 0.00 0.32 0.01 0.00 -0.44 0.00 0.00 34.13 34.02 1wfj s GLU 121 CO 0.00 -0.21 -0.21 -1.50 0.95 0.00 0.00 175.26 174.29 1wfj s ILE 122 N -1.61 1.92 -0.22 1.83 2.07 0.78 -1.41 121.20 124.57 1wfj s ILE 122 Ca -0.11 -0.91 -0.21 0.00 -1.41 0.00 0.00 60.65 58.01 1wfj s ILE 122 Cb -0.04 -1.70 -0.02 0.00 0.13 0.00 0.00 42.46 40.83 1wfj s ILE 122 CO 0.03 0.53 0.64 0.26 -1.91 0.00 0.00 174.94 174.48 1wfj s TRP 123 N 0.75 3.34 -0.16 3.50 0.52 0.54 0.18 118.94 127.60 1wfj s TRP 123 Ca -0.10 0.89 -0.16 0.00 0.02 0.00 0.00 56.10 56.76 1wfj s TRP 123 Cb -0.16 -2.83 0.04 0.00 -1.15 0.00 0.00 33.47 29.38 1wfj s TRP 123 CO 0.00 -0.24 0.45 0.08 0.02 0.00 0.00 176.95 177.26 1wfj s VAL 124 N 2.19 0.00 -0.06 4.03 1.01 -0.90 -2.50 120.40 124.17 1wfj s VAL 124 Ca 0.28 -0.02 0.02 0.00 0.00 0.00 0.00 61.98 62.26 1wfj s VAL 124 Cb -0.16 -0.63 -0.03 0.00 0.00 0.00 0.00 36.38 35.56 1wfj s VAL 124 CO 0.09 -0.01 -0.11 0.00 0.00 0.00 0.00 175.10 175.07 1wfj s ALA 125 N 0.15 2.78 -0.09 5.51 0.00 -0.70 -2.71 121.76 126.71 1wfj s ALA 125 Ca -0.01 -0.94 0.02 0.00 0.00 0.00 0.00 51.96 51.04 1wfj s ALA 125 Cb -0.03 -1.09 -0.02 0.00 0.00 0.00 0.00 23.12 21.98 1wfj s ALA 125 CO 0.01 0.54 -0.16 -0.51 0.00 0.00 0.00 175.76 175.64 1wfj s LEU 126 N -0.67 2.61 -0.21 0.00 1.43 -0.85 -0.49 118.68 120.49 1wfj s LEU 126 Ca 0.10 -0.31 -0.03 0.00 -1.03 0.00 0.00 54.13 52.85 1wfj s LEU 126 Cb -0.11 -1.55 0.07 0.00 0.03 0.00 0.00 46.19 44.63 1wfj s LEU 126 CO 0.01 0.24 0.07 -0.55 0.23 0.00 0.00 176.35 176.36 1wfj s SER 127 N -0.11 2.96 0.26 2.29 0.15 0.36 0.20 113.70 119.81 1wfj s SER 127 Ca -0.02 -0.92 -0.15 0.00 0.70 0.00 0.00 55.95 55.56 1wfj s SER 127 Cb -0.14 -0.48 -0.08 0.00 -1.71 0.00 0.00 66.02 63.61 1wfj s SER 127 CO 0.04 -0.35 0.69 0.12 1.20 0.00 0.00 173.24 174.93 1wfj s PHE 128 N 1.95 3.48 -0.36 3.44 5.36 -1.16 0.20 117.98 130.88 1wfj s PHE 128 Ca 0.03 1.20 -0.00 0.00 -0.96 0.00 0.00 56.93 57.19 1wfj s PHE 128 Cb -0.17 -2.50 0.13 0.00 -0.34 0.00 0.00 43.02 40.15 1wfj s PHE 128 CO -0.15 0.22 0.20 0.15 -1.46 0.00 0.00 175.22 174.19 1wfj s LYS 129 N -2.58 0.65 0.37 10.12 1.02 0.43 -4.72 119.74 125.04 1wfj s LYS 129 Ca 0.48 -1.36 -0.25 0.00 0.02 0.00 0.00 55.97 54.86 1wfj s LYS 129 Cb -0.13 -1.50 -0.09 0.00 -0.52 0.00 0.00 37.83 35.59 1wfj s LYS 129 CO 0.19 -1.17 1.06 -1.25 -0.92 0.00 0.00 175.35 173.26 1wfj s PRO 130 N 1.06 4.29 -0.97 -1.68 0.04 -1.26 0.06 135.00 136.54 1wfj s PRO 130 Ca 0.17 1.59 -0.24 0.00 0.04 0.00 0.00 61.00 62.56 1wfj s PRO 130 Cb -0.22 -2.72 -0.08 0.00 0.04 0.00 0.00 34.50 31.52 1wfj s PRO 130 CO -0.04 -0.05 2.00 0.45 0.04 0.00 0.00 177.00 179.41 1wfj s SER 131 N -1.38 4.89 0.00 6.66 0.15 -1.20 -4.91 113.70 117.90 1wfj s SER 131 Ca 0.54 -0.86 0.00 0.00 0.70 0.00 0.00 55.95 56.33 1wfj s SER 131 Cb -0.25 -2.57 0.00 0.00 -1.71 0.00 0.00 66.02 61.49 1wfj s SER 131 CO 0.31 -3.06 0.00 0.61 1.20 0.00 0.00 173.24 172.30 1wfj n GLY 132 N 6.55 -1.12 3.58 9.45 0.00 -1.26 -4.76 105.19 117.63 1wfj n GLY 132 Ca 0.42 -1.18 -0.36 0.00 0.00 0.00 0.00 46.02 44.90 1wfj n GLY 132 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 1wfj s PRO 133 N 0.00 3.24 0.81 1.61 0.04 -1.26 -4.95 135.00 134.49 1wfj s PRO 133 Ca 0.00 -1.53 -0.17 0.00 0.04 0.00 0.00 61.00 59.34 1wfj s PRO 133 Cb 0.00 -5.38 -0.15 0.00 0.04 0.00 0.00 34.50 29.01 1wfj s PRO 133 CO 0.00 -3.09 -0.55 -1.13 0.04 0.00 0.00 177.00 172.27 1wfj n SER 134 N 11.34 -5.12 0.00 6.66 3.41 -1.26 -4.95 113.62 123.70 1wfj n SER 134 Ca 0.46 0.35 -0.03 0.00 -0.26 0.00 0.00 58.87 59.40 1wfj n SER 134 Cb 0.46 -0.79 -0.01 0.00 -0.26 0.00 0.00 64.21 63.62 1wfj n SER 134 CO 0.00 0.00 0.00 -1.20 -0.16 0.00 0.00 175.04 173.68 1wfj n SER 135 N 3.10 0.56 0.00 4.04 7.64 -1.26 -5.28 113.62 122.42 1wfj n SER 135 Ca 0.02 0.08 0.00 0.00 1.01 0.00 0.00 58.87 59.98 1wfj n SER 135 Cb 0.52 -0.19 0.00 0.00 -1.01 0.00 0.00 64.21 63.53 1wfj n SER 135 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64