#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1wj4 s SER 2 N 0.00 -0.36 0.24 1.61 0.15 -1.26 -5.19 113.70 108.90 1wj4 s SER 2 Ca 0.00 0.29 -0.22 0.00 0.70 0.00 0.00 55.95 56.72 1wj4 s SER 2 Cb 0.00 0.31 0.04 0.00 -1.71 0.00 0.00 66.02 64.66 1wj4 s SER 2 CO 0.00 -0.40 0.83 -0.94 1.20 0.00 0.00 173.24 173.93 1wj4 s SER 3 N -1.49 -0.20 0.30 5.45 1.04 -1.26 -5.19 113.70 112.35 1wj4 s SER 3 Ca 0.00 -0.58 0.04 0.00 0.48 0.00 0.00 55.95 55.89 1wj4 s SER 3 Cb -0.01 0.64 -0.03 0.00 0.10 0.00 0.00 66.02 66.73 1wj4 s SER 3 CO -0.01 -1.20 0.26 -0.83 0.98 0.00 0.00 173.24 172.44 1wj4 s GLY 4 N -2.96 2.01 -0.07 7.32 0.00 -1.26 -5.18 107.32 107.18 1wj4 s GLY 4 Ca 0.12 -1.92 -0.31 0.00 0.00 0.00 0.00 44.72 42.61 1wj4 s GLY 4 CO 0.06 -1.40 1.38 -0.45 0.00 0.00 0.00 173.10 172.68 1wj4 s SER 5 N -3.30 -0.01 0.20 1.64 0.15 -1.26 -5.19 113.70 105.93 1wj4 s SER 5 Ca 0.39 -0.06 -0.14 0.00 0.70 0.00 0.00 55.95 56.84 1wj4 s SER 5 Cb 0.03 0.06 0.01 0.00 -1.71 0.00 0.00 66.02 64.41 1wj4 s SER 5 CO 0.23 -0.11 0.45 -0.94 1.20 0.00 0.00 173.24 174.07 1wj4 s SER 6 N -3.32 -0.14 0.05 5.45 1.04 -1.26 -5.18 113.70 110.33 1wj4 s SER 6 Ca 0.21 -0.69 -0.02 0.00 0.48 0.00 0.00 55.95 55.93 1wj4 s SER 6 Cb 0.04 0.55 0.01 0.00 0.10 0.00 0.00 66.02 66.72 1wj4 s SER 6 CO -0.05 -1.04 0.09 0.61 0.98 0.00 0.00 173.24 173.84 1wj4 n GLY 7 N -0.32 1.93 3.00 7.32 0.00 -1.26 -5.18 105.19 110.68 1wj4 n GLY 7 Ca -0.07 -1.06 -0.09 0.00 0.00 0.00 0.00 46.02 44.80 1wj4 n GLY 7 CO 0.00 0.00 0.00 -1.08 0.00 0.00 0.00 173.32 172.24 1wj4 s THR 8 N -2.87 0.11 0.43 2.61 -1.32 -1.26 -5.17 115.64 108.18 1wj4 s THR 8 Ca 0.02 -0.94 0.03 0.00 -1.21 0.00 0.00 61.69 59.59 1wj4 s THR 8 Cb -0.01 -0.36 -0.03 0.00 -1.51 0.00 0.00 72.50 70.60 1wj4 s THR 8 CO 0.01 -0.51 0.08 0.00 -2.21 0.00 0.00 174.62 171.99 1wj4 s ALA 9 N -1.60 3.24 -0.13 11.08 0.00 -1.26 -5.15 121.76 127.94 1wj4 s ALA 9 Ca -0.14 -1.11 0.02 0.00 0.00 0.00 0.00 51.96 50.72 1wj4 s ALA 9 Cb -0.09 0.49 0.01 0.00 0.00 0.00 0.00 23.12 23.54 1wj4 s ALA 9 CO -0.01 -0.23 -0.17 -0.08 0.00 0.00 0.00 175.76 175.26 1wj4 s THR 10 N -3.09 1.71 -0.12 0.00 -1.32 -1.26 -5.10 115.64 106.46 1wj4 s THR 10 Ca 0.20 -0.76 -0.30 0.00 -1.21 0.00 0.00 61.69 59.62 1wj4 s THR 10 Cb 0.03 -1.55 -0.02 0.00 -1.51 0.00 0.00 72.50 69.45 1wj4 s THR 10 CO 0.11 0.48 1.19 0.54 -2.21 0.00 0.00 174.62 174.74 1wj4 s ASN 11 N 1.01 7.03 0.57 8.08 4.22 -1.26 -5.02 114.94 129.57 1wj4 s ASN 11 Ca -0.05 1.70 -0.00 0.00 -2.14 0.00 0.00 52.86 52.37 1wj4 s ASN 11 Cb -0.15 -2.55 0.04 0.00 1.28 0.00 0.00 41.25 39.87 1wj4 s ASN 11 CO -0.03 -0.65 0.82 -1.38 -2.04 0.00 0.00 177.10 173.81 1wj4 s HIS 12 N 2.78 2.89 0.08 1.54 -3.43 -1.26 -5.12 115.29 112.77 1wj4 s HIS 12 Ca 0.54 0.10 -0.00 0.00 -0.80 0.00 0.00 55.06 54.89 1wj4 s HIS 12 Cb -0.22 -2.81 -0.04 0.00 -1.43 0.00 0.00 32.58 28.08 1wj4 s HIS 12 CO 0.17 -0.95 -0.02 1.14 -2.00 0.00 0.00 174.74 173.09 1wj4 s GLN 13 N -4.85 0.73 0.06 -0.38 -2.07 -1.26 -5.17 119.66 106.73 1wj4 s GLN 13 Ca 0.57 -1.30 -0.27 0.00 -1.82 0.00 0.00 55.36 52.54 1wj4 s GLN 13 Cb -0.10 0.13 0.09 0.00 -1.09 0.00 0.00 33.01 32.03 1wj4 s GLN 13 CO 0.40 -0.13 1.00 0.20 -1.32 0.00 0.00 175.29 175.44 1wj4 s GLY 14 N -2.98 -0.33 0.03 2.60 0.00 -1.26 -5.18 107.32 100.21 1wj4 s GLY 14 Ca 0.12 0.56 0.03 0.00 0.00 0.00 0.00 44.72 45.43 1wj4 s GLY 14 CO -0.06 0.15 -0.09 1.08 0.00 0.00 0.00 173.10 174.18 1wj4 s LEU 15 N -2.76 2.18 0.00 0.66 1.02 -1.26 -5.16 118.68 113.36 1wj4 s LEU 15 Ca 0.10 -0.42 -0.14 0.00 0.02 0.00 0.00 54.13 53.68 1wj4 s LEU 15 Cb -0.00 -0.34 0.20 0.00 0.02 0.00 0.00 46.19 46.07 1wj4 s LEU 15 CO -0.02 -0.07 0.94 -0.81 0.02 0.00 0.00 176.35 176.41 1wj4 n PRO 16 N 1.92 -1.82 -1.16 1.29 -0.04 -1.26 -5.05 135.00 128.87 1wj4 n PRO 16 Ca -0.19 -1.47 -0.30 0.00 -0.04 0.00 0.00 63.50 61.49 1wj4 n PRO 16 Cb 0.55 -1.16 0.24 0.00 -0.04 0.00 0.00 33.50 33.09 1wj4 n PRO 16 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 1wj4 s ALA 17 N -3.50 0.75 -0.02 0.55 0.00 -1.26 -5.07 121.76 113.20 1wj4 s ALA 17 Ca 0.57 -1.04 0.03 0.00 0.00 0.00 0.00 51.96 51.51 1wj4 s ALA 17 Cb -0.03 -2.85 0.00 0.00 0.00 0.00 0.00 23.12 20.24 1wj4 s ALA 17 CO 0.41 -3.55 -0.09 0.54 0.00 0.00 0.00 175.76 173.07 1wj4 s VAL 18 N -3.11 0.77 -0.41 0.00 0.11 -1.26 -5.11 120.40 111.40 1wj4 s VAL 18 Ca 0.72 -0.37 -0.01 0.00 -2.93 0.00 0.00 61.98 59.39 1wj4 s VAL 18 Cb -0.08 -0.68 0.11 0.00 -1.53 0.00 0.00 36.38 34.20 1wj4 s VAL 18 CO 0.56 0.24 0.18 -1.81 -3.33 0.00 0.00 175.10 170.93 1wj4 s ASP 19 N 0.09 5.08 -0.35 3.54 1.01 -1.26 -5.06 116.67 119.72 1wj4 s ASP 19 Ca -0.01 -2.16 -0.08 0.00 0.71 0.00 0.00 52.55 51.00 1wj4 s ASP 19 Cb -0.07 -1.77 0.03 0.00 1.01 0.00 0.00 42.92 42.12 1wj4 s ASP 19 CO 0.00 -0.47 0.14 -0.55 0.21 0.00 0.00 175.17 174.50 1wj4 s SER 20 N 1.40 5.48 0.00 0.27 0.15 -1.26 -4.93 113.70 114.81 1wj4 s SER 20 Ca 0.10 -1.07 0.00 0.00 0.70 0.00 0.00 55.95 55.68 1wj4 s SER 20 Cb -0.22 -1.93 0.00 0.00 -1.71 0.00 0.00 66.02 62.16 1wj4 s SER 20 CO -0.05 -0.35 0.00 -0.62 1.20 0.00 0.00 173.24 173.42 1wj4 n GLU 21 N 4.89 0.00 -1.74 5.44 4.71 -1.26 -5.05 120.64 127.63 1wj4 n GLU 21 Ca -0.12 0.00 -0.39 0.00 -0.01 0.00 0.00 57.16 56.64 1wj4 n GLU 21 Cb 0.45 -0.04 0.04 0.00 -1.01 0.00 0.00 31.44 30.89 1wj4 n GLU 21 CO 0.00 0.00 0.00 -0.89 0.09 0.00 0.00 177.13 176.33 1wj4 n ILE 22 N -2.03 3.79 -3.51 -3.67 5.41 -1.26 -5.01 119.36 113.08 1wj4 n ILE 22 Ca 0.00 -0.50 -0.21 0.00 1.00 0.00 0.00 62.75 63.04 1wj4 n ILE 22 Cb 0.00 -1.64 -0.02 0.00 -0.71 0.00 0.00 39.64 37.26 1wj4 n ILE 22 CO 0.00 0.00 0.00 -0.76 0.00 0.00 0.00 176.55 175.79 1wj4 s LEU 23 N -3.33 3.37 -0.38 1.39 1.02 -1.26 -5.01 118.68 114.48 1wj4 s LEU 23 Ca 0.71 -0.75 -0.03 0.00 0.02 0.00 0.00 54.13 54.08 1wj4 s LEU 23 Cb -0.42 -2.05 0.07 0.00 0.02 0.00 0.00 46.19 43.81 1wj4 s LEU 23 CO 0.49 -0.72 2.67 -0.62 0.02 0.00 0.00 176.35 178.20 1wj4 n GLU 24 N -1.62 2.22 0.00 1.70 4.71 -1.26 -4.94 120.64 121.46 1wj4 n GLU 24 Ca 0.04 -2.04 0.00 0.00 -0.01 0.00 0.00 57.16 55.15 1wj4 n GLU 24 Cb 0.62 -2.00 0.00 0.00 -1.01 0.00 0.00 31.44 29.04 1wj4 n GLU 24 CO 0.00 0.00 0.00 0.00 0.09 0.00 0.00 177.13 177.22 1wj4 n MET 25 N 0.90 0.00 -1.68 3.49 0.00 -1.26 -4.99 117.12 113.58 1wj4 n MET 25 Ca 0.44 0.00 -0.31 0.00 0.00 0.00 0.00 57.70 57.82 1wj4 n MET 25 Cb 0.59 0.00 0.04 0.00 0.00 0.00 0.00 33.22 33.85 1wj4 n MET 25 CO 0.00 0.00 0.00 -1.25 0.00 0.00 0.00 175.97 174.72 1wj4 s PRO 26 N -3.41 3.04 -0.03 3.17 0.04 -1.26 -4.99 135.00 131.56 1wj4 s PRO 26 Ca 0.00 1.00 -0.30 0.00 0.04 0.00 0.00 61.00 61.74 1wj4 s PRO 26 Cb 0.00 -2.00 -0.04 0.00 0.04 0.00 0.00 34.50 32.50 1wj4 s PRO 26 CO 0.00 -1.02 1.21 -1.25 0.04 0.00 0.00 177.00 175.98 1wj4 s PRO 27 N -4.83 4.37 0.07 0.56 0.04 -1.26 -5.01 135.00 128.94 1wj4 s PRO 27 Ca 0.59 1.71 -0.21 0.00 0.04 0.00 0.00 61.00 63.12 1wj4 s PRO 27 Cb -0.14 -3.51 0.05 0.00 0.04 0.00 0.00 34.50 30.94 1wj4 s PRO 27 CO 0.51 -0.40 0.50 -2.00 0.04 0.00 0.00 177.00 175.65 1wj4 s GLU 28 N 1.95 1.05 0.27 4.56 2.56 -1.26 -5.17 118.70 122.65 1wj4 s GLU 28 Ca 0.57 -0.32 0.06 0.00 0.00 0.00 0.00 54.97 55.28 1wj4 s GLU 28 Cb -0.26 0.48 -0.03 0.00 2.00 0.00 0.00 34.13 36.32 1wj4 s GLU 28 CO 0.24 -0.39 0.28 0.21 -0.56 0.00 0.00 175.26 175.04 1wj4 s LYS 29 N -2.72 3.08 0.24 4.30 2.20 -1.26 -5.13 119.74 120.44 1wj4 s LYS 29 Ca -0.04 -0.99 -0.10 0.00 -0.36 0.00 0.00 55.97 54.48 1wj4 s LYS 29 Cb -0.00 -2.68 -0.01 0.00 -1.51 0.00 0.00 37.83 33.63 1wj4 s LYS 29 CO -0.04 0.34 0.40 0.00 -0.36 0.00 0.00 175.35 175.69 1wj4 s ALA 30 N -2.11 0.11 1.35 3.13 0.00 -1.26 -5.16 121.76 117.81 1wj4 s ALA 30 Ca 0.35 -1.08 -0.19 0.00 0.00 0.00 0.00 51.96 51.04 1wj4 s ALA 30 Cb -0.08 1.15 0.34 0.00 0.00 0.00 0.00 23.12 24.52 1wj4 s ALA 30 CO 0.27 -0.79 0.88 -0.25 0.00 0.00 0.00 175.76 175.87 1wj4 n ASP 31 N -0.38 -3.19 -4.65 0.00 8.00 -1.26 -4.92 116.55 110.17 1wj4 n ASP 31 Ca -0.01 -0.57 -0.36 0.00 0.71 0.00 0.00 54.79 54.57 1wj4 n ASP 31 Cb 0.63 -1.09 0.09 0.00 -0.02 0.00 0.00 41.12 40.73 1wj4 n ASP 31 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 1wj4 n GLY 32 N 1.59 -0.20 0.00 0.44 0.00 -1.26 -5.03 105.19 100.73 1wj4 n GLY 32 Ca 0.08 -0.33 0.00 0.00 0.00 0.00 0.00 46.02 45.77 1wj4 n GLY 32 CO 0.00 0.00 0.00 3.33 0.00 0.00 0.00 173.32 176.65 1wj4 n VAL 33 N -2.54 0.00 -3.98 1.61 0.24 -1.26 -5.11 118.33 107.29 1wj4 n VAL 33 Ca 0.14 0.00 -0.34 0.00 -2.04 0.00 0.00 64.34 62.10 1wj4 n VAL 33 Cb 0.49 -0.42 -0.14 0.00 -1.47 0.00 0.00 33.84 32.30 1wj4 n VAL 33 CO 0.00 0.00 0.00 0.54 -2.14 0.00 0.00 176.83 175.23 1wj4 s VAL 34 N 1.19 2.74 0.38 3.34 0.11 -1.26 -5.11 120.40 121.79 1wj4 s VAL 34 Ca 0.00 -1.12 0.07 0.00 -2.93 0.00 0.00 61.98 58.00 1wj4 s VAL 34 Cb 0.00 -2.41 -0.02 0.00 -1.53 0.00 0.00 36.38 32.42 1wj4 s VAL 34 CO 0.00 0.17 0.39 -0.70 -3.33 0.00 0.00 175.10 171.63 1wj4 s GLU 35 N 1.29 2.73 -0.56 1.54 2.12 -1.26 -5.03 118.70 119.53 1wj4 s GLU 35 Ca -0.01 -1.33 -0.27 0.00 0.36 0.00 0.00 54.97 53.72 1wj4 s GLU 35 Cb -0.17 -2.53 -0.01 0.00 0.26 0.00 0.00 34.13 31.68 1wj4 s GLU 35 CO -0.05 -0.07 1.75 0.20 -0.54 0.00 0.00 175.26 176.56 1wj4 s GLY 36 N -4.12 0.45 0.31 -1.50 0.00 -1.26 -4.94 107.32 96.26 1wj4 s GLY 36 Ca 0.46 -0.51 -0.28 0.00 0.00 0.00 0.00 44.72 44.39 1wj4 s GLY 36 CO 0.29 3.26 1.15 1.39 0.00 0.00 0.00 173.10 179.18 1wj4 n ILE 37 N 7.16 1.94 -0.93 0.90 5.41 -1.26 -4.60 119.36 127.99 1wj4 n ILE 37 Ca 0.19 -0.49 0.03 0.00 1.00 0.00 0.00 62.75 63.48 1wj4 n ILE 37 Cb 0.51 -1.26 -0.02 0.00 -0.71 0.00 0.00 39.64 38.16 1wj4 n ILE 37 CO 0.00 0.00 0.00 -0.67 0.00 0.00 0.00 176.55 175.88 1wj4 n ASP 38 N 1.07 -5.03 -4.51 4.38 -0.08 -1.26 -4.82 116.55 106.30 1wj4 n ASP 38 Ca 0.08 1.07 -0.42 0.00 -1.51 0.00 0.00 54.79 54.00 1wj4 n ASP 38 Cb 0.34 -2.78 0.00 0.00 2.34 0.00 0.00 41.12 41.02 1wj4 n ASP 38 CO 0.00 0.00 0.00 0.55 0.12 0.00 0.00 177.20 177.87 1wj4 n VAL 39 N -2.52 2.00 -4.23 5.18 3.14 -1.26 -4.98 118.33 115.66 1wj4 n VAL 39 Ca -0.02 -0.50 -0.23 0.00 -2.96 0.00 0.00 64.34 60.63 1wj4 n VAL 39 Cb 0.33 -0.73 -0.07 0.00 -1.06 0.00 0.00 33.84 32.31 1wj4 n VAL 39 CO 0.00 0.00 0.00 0.20 -6.46 0.00 0.00 176.83 170.57 1wj4 s ASN 40 N -0.84 4.56 1.10 6.55 0.01 -1.26 -5.12 114.94 119.94 1wj4 s ASN 40 Ca 0.63 -0.72 -0.17 0.00 -0.71 0.00 0.00 52.86 51.88 1wj4 s ASN 40 Cb -0.63 -0.78 0.15 0.00 0.41 0.00 0.00 41.25 40.40 1wj4 s ASN 40 CO 0.58 -0.13 0.17 0.61 -1.51 0.00 0.00 177.10 176.82 1wj4 n GLY 41 N -0.99 -2.61 3.71 0.66 0.00 -1.26 -4.87 105.19 99.82 1wj4 n GLY 41 Ca -0.05 -0.86 -0.42 0.00 0.00 0.00 0.00 46.02 44.69 1wj4 n GLY 41 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 1wj4 s PRO 42 N -3.54 4.42 0.00 1.61 0.04 -1.26 -5.03 135.00 131.24 1wj4 s PRO 42 Ca 0.48 1.71 0.00 0.00 0.04 0.00 0.00 61.00 63.23 1wj4 s PRO 42 Cb -0.09 -3.42 0.00 0.00 0.04 0.00 0.00 34.50 31.04 1wj4 s PRO 42 CO 0.51 -0.29 0.00 1.63 0.04 0.00 0.00 177.00 178.90 1wj4 n LYS 43 N 4.27 3.46 -3.12 4.56 4.01 -1.26 -5.01 118.16 125.07 1wj4 n LYS 43 Ca 0.09 0.00 -0.41 0.00 -0.51 0.00 0.00 58.31 57.48 1wj4 n LYS 43 Cb 0.47 0.00 -0.07 0.00 -0.51 0.00 0.00 35.03 34.92 1wj4 n LYS 43 CO 0.00 0.00 0.00 0.00 -1.11 0.00 0.00 177.40 176.29 1wj4 s ALA 44 N -3.43 3.51 0.02 7.82 0.00 0.18 -4.92 121.76 124.94 1wj4 s ALA 44 Ca 0.00 -0.70 -0.27 0.00 0.00 0.00 0.00 51.96 51.00 1wj4 s ALA 44 Cb 0.00 -3.11 -0.05 0.00 0.00 0.00 0.00 23.12 19.96 1wj4 s ALA 44 CO 0.00 -1.13 0.83 -0.65 0.00 0.00 0.00 175.76 174.81 1wj4 s GLN 45 N 2.62 4.53 0.05 0.00 -0.21 -1.04 -1.59 119.66 124.02 1wj4 s GLN 45 Ca 0.25 1.16 -0.01 0.00 0.02 0.00 0.00 55.36 56.78 1wj4 s GLN 45 Cb -0.15 -3.41 -0.04 0.00 1.00 0.00 0.00 33.01 30.42 1wj4 s GLN 45 CO 0.12 0.14 -0.03 -0.51 -2.12 0.00 0.00 175.29 172.90 1wj4 s LEU 46 N 0.40 2.44 -0.11 2.90 1.43 -0.84 -1.38 118.68 123.52 1wj4 s LEU 46 Ca 0.43 -0.92 0.01 0.00 -1.03 0.00 0.00 54.13 52.62 1wj4 s LEU 46 Cb -0.20 0.19 0.02 0.00 0.03 0.00 0.00 46.19 46.23 1wj4 s LEU 46 CO 0.24 -0.55 -0.11 -0.32 0.23 0.00 0.00 176.35 175.83 1wj4 s MET 47 N -3.52 1.85 -0.60 1.70 -2.45 -1.10 -1.49 119.30 113.69 1wj4 s MET 47 Ca 0.03 -0.41 -0.21 0.00 -1.25 0.00 0.00 55.69 53.86 1wj4 s MET 47 Cb 0.05 -1.71 0.08 0.00 1.25 0.00 0.00 34.83 34.50 1wj4 s MET 47 CO -0.09 -0.16 0.80 -0.51 1.05 0.00 0.00 175.02 176.12 1wj4 s LEU 48 N 1.31 4.89 -0.64 4.11 2.01 0.97 0.14 118.68 131.48 1wj4 s LEU 48 Ca -0.01 -1.14 -0.20 0.00 0.01 0.00 0.00 54.13 52.78 1wj4 s LEU 48 Cb -0.14 -2.40 0.09 0.00 0.01 0.00 0.00 46.19 43.76 1wj4 s LEU 48 CO -0.05 -1.21 0.84 -0.13 1.01 0.00 0.00 176.35 176.81 1wj4 s ARG 49 N 3.26 3.10 0.66 1.70 1.81 0.73 0.12 118.95 130.33 1wj4 s ARG 49 Ca 0.17 -1.14 -0.14 0.00 -1.72 0.00 0.00 55.73 52.91 1wj4 s ARG 49 Cb -0.20 -4.28 -0.00 0.00 -0.45 0.00 0.00 34.95 30.02 1wj4 s ARG 49 CO 0.09 -1.67 1.08 0.71 -0.68 0.00 0.00 175.30 174.83 1wj4 s TYR 50 N 3.28 2.81 -0.48 -0.53 2.02 0.81 -0.05 117.35 125.21 1wj4 s TYR 50 Ca 0.17 1.52 0.26 0.00 -0.37 0.00 0.00 57.07 58.65 1wj4 s TYR 50 Cb -0.20 -3.05 0.89 0.00 -0.40 0.00 0.00 41.96 39.20 1wj4 s TYR 50 CO 0.07 -1.45 1.76 -1.00 -1.57 0.00 0.00 175.55 173.37 1wj4 h PRO 51 N -0.14 0.00 0.00 -1.71 0.13 -1.82 -2.69 132.00 125.77 1wj4 h PRO 51 Ca -0.46 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.67 1wj4 h PRO 51 Cb 1.23 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.36 1wj4 h PRO 51 CO 0.55 0.00 0.00 -0.40 -0.23 0.00 0.00 178.00 177.92 1wj4 n ASP 52 N -2.49 0.21 0.00 1.44 5.68 -1.26 -4.83 116.55 115.29 1wj4 n ASP 52 Ca 0.03 0.55 0.00 0.00 -0.50 0.00 0.00 54.79 54.87 1wj4 n ASP 52 Cb 0.35 -0.59 0.00 0.00 -1.14 0.00 0.00 41.12 39.74 1wj4 n ASP 52 CO 0.00 0.00 0.00 0.61 -1.33 0.00 0.00 177.20 176.48 1wj4 n GLY 53 N 0.05 2.91 3.91 6.12 0.00 -1.01 -5.07 105.19 112.09 1wj4 n GLY 53 Ca 0.03 0.00 -0.28 0.00 0.00 0.00 0.00 46.02 45.77 1wj4 n GLY 53 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1wj4 s LYS 54 N -0.55 2.55 0.19 1.61 1.02 -1.26 -4.86 119.74 118.45 1wj4 s LYS 54 Ca 0.00 0.09 0.03 0.00 0.02 0.00 0.00 55.97 56.12 1wj4 s LYS 54 Cb 0.00 -2.11 -0.01 0.00 -0.52 0.00 0.00 37.83 35.18 1wj4 s LYS 54 CO 0.00 -1.09 0.13 2.89 -0.92 0.00 0.00 175.35 176.36 1wj4 n ARG 55 N -2.92 0.41 -3.64 1.68 1.85 -1.26 -0.13 116.66 112.64 1wj4 n ARG 55 Ca 0.07 -1.83 -0.07 0.00 -1.00 0.00 0.00 57.85 55.02 1wj4 n ARG 55 Cb 0.59 1.32 -0.07 0.00 -1.05 0.00 0.00 32.46 33.24 1wj4 n ARG 55 CO 0.00 0.00 0.00 -2.00 -0.01 0.00 0.00 177.63 175.62 1wj4 s GLU 56 N -2.77 0.52 -0.14 2.89 2.12 0.12 -4.88 118.70 116.55 1wj4 s GLU 56 Ca 0.18 0.75 -0.04 0.00 0.36 0.00 0.00 54.97 56.22 1wj4 s GLU 56 Cb 0.01 0.18 -0.03 0.00 0.26 0.00 0.00 34.13 34.54 1wj4 s GLU 56 CO 0.13 -0.08 0.01 -1.14 -0.54 0.00 0.00 175.26 173.63 1wj4 s GLN 57 N 0.89 3.53 0.27 4.30 0.74 -1.26 0.32 119.66 128.45 1wj4 s GLN 57 Ca -0.04 -0.42 0.02 0.00 0.05 0.00 0.00 55.36 54.97 1wj4 s GLN 57 Cb -0.04 -2.97 -0.04 0.00 1.10 0.00 0.00 33.01 31.05 1wj4 s GLN 57 CO -0.11 0.42 0.12 0.96 -0.55 0.00 0.00 175.29 176.13 1wj4 s ILE 58 N -0.09 0.42 -0.23 -2.34 -4.36 -0.55 -4.98 121.20 109.06 1wj4 s ILE 58 Ca 0.04 -2.00 -0.03 0.00 -0.26 0.00 0.00 60.65 58.40 1wj4 s ILE 58 Cb -0.13 -2.58 0.08 0.00 1.25 0.00 0.00 42.46 41.09 1wj4 s ILE 58 CO 0.02 0.00 0.09 -0.89 0.24 0.00 0.00 174.94 174.40 1wj4 s THR 59 N -3.73 0.24 0.17 8.37 2.01 -1.26 -1.98 115.64 119.46 1wj4 s THR 59 Ca 0.37 -0.64 0.05 0.00 0.31 0.00 0.00 61.69 61.77 1wj4 s THR 59 Cb 0.07 -0.99 -0.04 0.00 0.01 0.00 0.00 72.50 71.55 1wj4 s THR 59 CO 0.15 -0.45 0.18 -0.76 -0.69 0.00 0.00 174.62 173.05 1wj4 s LEU 60 N 1.97 3.95 0.18 4.42 1.02 -0.62 -4.84 118.68 124.75 1wj4 s LEU 60 Ca 0.04 -0.07 -0.30 0.00 0.02 0.00 0.00 54.13 53.83 1wj4 s LEU 60 Cb -0.16 -2.54 -0.08 0.00 0.02 0.00 0.00 46.19 43.43 1wj4 s LEU 60 CO -0.19 0.05 1.12 -2.16 0.02 0.00 0.00 176.35 175.18 1wj4 s PRO 61 N -3.25 4.57 0.17 1.29 0.04 -1.26 0.48 135.00 137.05 1wj4 s PRO 61 Ca 0.32 1.74 -0.18 0.00 0.04 0.00 0.00 61.00 62.92 1wj4 s PRO 61 Cb -0.10 -3.27 0.12 0.00 0.04 0.00 0.00 34.50 31.28 1wj4 s PRO 61 CO 0.25 0.04 1.30 0.39 0.04 0.00 0.00 177.00 179.02 1wj4 n GLU 62 N 2.43 -0.25 -1.23 4.56 1.02 -1.26 0.10 120.64 126.01 1wj4 n GLU 62 Ca 0.03 1.28 -0.20 0.00 -0.02 0.00 0.00 57.16 58.25 1wj4 n GLU 62 Cb 0.46 -1.90 -0.12 0.00 -0.02 0.00 0.00 31.44 29.86 1wj4 n GLU 62 CO 0.00 0.00 0.00 0.00 1.18 0.00 0.00 177.13 178.31 1wj4 n GLN 63 N -5.18 2.41 -4.57 3.49 10.64 -1.26 -2.68 117.38 120.23 1wj4 n GLN 63 Ca 0.06 -1.64 -0.33 0.00 -1.83 0.00 0.00 57.00 53.26 1wj4 n GLN 63 Cb 0.30 -2.15 -0.14 0.00 -0.86 0.00 0.00 30.24 27.39 1wj4 n GLN 63 CO 0.00 0.00 0.00 0.00 -1.83 0.00 0.00 177.06 175.23 1wj4 s ALA 64 N 0.18 2.76 0.11 2.61 0.00 0.29 -4.93 121.76 122.78 1wj4 s ALA 64 Ca 0.64 -0.89 -0.33 0.00 0.00 0.00 0.00 51.96 51.39 1wj4 s ALA 64 Cb 0.32 -1.37 -0.12 0.00 0.00 0.00 0.00 23.12 21.95 1wj4 s ALA 64 CO -0.08 0.18 1.76 1.63 0.00 0.00 0.00 175.76 179.25 1wj4 n LYS 65 N 3.64 2.52 -0.59 0.00 4.76 -1.25 -0.89 118.16 126.34 1wj4 n LYS 65 Ca -0.18 0.91 0.48 0.00 -2.87 0.00 0.00 58.31 56.65 1wj4 n LYS 65 Cb 0.52 -2.76 0.76 0.00 -1.84 0.00 0.00 35.03 31.71 1wj4 n LYS 65 CO 0.00 0.00 0.00 1.25 -1.37 0.00 0.00 177.40 177.28 1wj4 h LEU 66 N 7.74 0.00 -0.95 -0.35 5.85 -1.40 2.55 115.31 128.75 1wj4 h LEU 66 Ca -0.46 0.00 0.09 0.00 0.84 0.00 0.00 57.88 58.35 1wj4 h LEU 66 Cb 1.24 0.00 -0.07 0.00 0.37 0.00 0.00 40.66 42.19 1wj4 h LEU 66 CO 0.93 0.00 0.60 0.25 -0.34 0.00 0.00 178.44 179.88 1wj4 h LEU 67 N 0.00 0.91 -0.80 2.25 6.46 -1.86 -1.13 115.31 121.14 1wj4 h LEU 67 Ca 0.83 0.03 0.17 0.00 -0.12 0.00 0.00 57.88 58.79 1wj4 h LEU 67 Cb 3.51 -0.16 -0.15 0.00 -0.73 0.00 0.00 40.66 43.13 1wj4 h LEU 67 CO -0.01 0.55 -0.13 0.00 -0.62 0.00 0.00 178.44 178.23 1wj4 h ALA 68 N 1.47 0.65 -0.29 1.25 0.00 0.41 2.29 119.26 125.05 1wj4 h ALA 68 Ca 0.44 0.30 -0.09 0.00 0.00 0.00 0.00 54.91 55.56 1wj4 h ALA 68 Cb 0.30 0.56 -0.02 0.00 0.00 0.00 0.00 17.79 18.63 1wj4 h ALA 68 CO -0.21 -0.42 -0.18 1.25 0.00 0.00 0.00 179.25 179.68 1wj4 h LEU 69 N 0.03 0.51 0.28 0.00 7.12 -1.34 -1.84 115.31 120.07 1wj4 h LEU 69 Ca 0.41 -0.15 -0.01 0.00 0.13 0.00 0.00 57.88 58.25 1wj4 h LEU 69 Cb 0.68 -0.14 0.00 0.00 -0.53 0.00 0.00 40.66 40.67 1wj4 h LEU 69 CO -0.79 0.71 -0.14 0.58 -0.13 0.00 0.00 178.44 178.67 1wj4 h VAL 70 N 0.46 0.71 -0.98 1.05 2.07 0.24 -2.50 116.25 117.30 1wj4 h VAL 70 Ca 0.08 -0.70 0.25 0.00 0.82 0.00 0.00 66.70 67.15 1wj4 h VAL 70 Cb 0.59 1.05 -0.07 0.00 -1.52 0.00 0.00 31.29 31.34 1wj4 h VAL 70 CO 0.04 0.13 0.66 0.11 0.02 0.00 0.00 177.57 178.53 1wj4 h LYS 71 N -0.78 0.30 0.00 1.57 1.57 0.32 0.44 116.57 119.99 1wj4 h LYS 71 Ca -0.04 -0.02 0.00 0.00 -1.87 0.00 0.00 60.65 58.72 1wj4 h LYS 71 Cb 0.51 -0.07 0.00 0.00 0.08 0.00 0.00 32.23 32.75 1wj4 h LYS 71 CO 0.06 0.20 0.00 1.58 -0.57 0.00 0.00 179.45 180.72 1wj4 n HIS 72 N -4.49 0.00 -0.20 -1.35 -0.00 -0.70 -1.73 115.22 106.75 1wj4 n HIS 72 Ca 0.22 0.00 0.28 0.00 0.46 0.00 0.00 57.72 58.68 1wj4 n HIS 72 Cb 0.86 -0.49 0.70 0.00 -0.12 0.00 0.00 29.99 30.94 1wj4 n HIS 72 CO 0.00 0.00 0.00 0.28 0.46 0.00 0.00 176.34 177.08 1wj4 h VAL 73 N 0.00 0.55 -0.48 3.57 2.07 -0.94 0.84 116.25 121.86 1wj4 h VAL 73 Ca 0.00 -0.02 -0.00 0.00 0.82 0.00 0.00 66.70 67.50 1wj4 h VAL 73 Cb 0.00 0.50 -0.02 0.00 -1.52 0.00 0.00 31.29 30.25 1wj4 h VAL 73 CO 0.00 0.01 0.28 -0.61 0.02 0.00 0.00 177.57 177.27 1wj4 h GLN 74 N 0.05 0.65 -0.32 1.57 4.15 0.13 0.79 115.11 122.13 1wj4 h GLN 74 Ca 0.45 -0.05 0.00 0.00 0.77 0.00 0.00 58.65 59.81 1wj4 h GLN 74 Cb 1.71 -0.14 0.00 0.00 0.21 0.00 0.00 27.48 29.26 1wj4 h GLN 74 CO -0.03 0.46 0.00 0.43 -1.93 0.00 0.00 178.83 177.76 1wj4 n SER 75 N -4.43 2.60 -0.03 -0.69 7.64 0.29 -3.81 113.62 115.18 1wj4 n SER 75 Ca 0.04 -1.88 -0.06 0.00 1.01 0.00 0.00 58.87 57.98 1wj4 n SER 75 Cb 0.08 -0.21 -0.13 0.00 -1.01 0.00 0.00 64.21 62.94 1wj4 n SER 75 CO 0.00 0.00 0.00 0.29 -3.01 0.00 0.00 175.04 172.32 1wj4 n LYS 76 N 0.93 0.65 0.00 1.43 4.76 0.23 -4.96 118.16 121.20 1wj4 n LYS 76 Ca 0.18 0.17 0.00 0.00 -2.87 0.00 0.00 58.31 55.79 1wj4 n LYS 76 Cb 0.46 -1.71 0.00 0.00 -1.84 0.00 0.00 35.03 31.94 1wj4 n LYS 76 CO 0.00 0.00 0.00 0.41 -1.37 0.00 0.00 177.40 176.44 1wj4 n GLY 77 N 1.55 0.49 3.15 0.72 0.00 -0.94 -5.08 105.19 105.08 1wj4 n GLY 77 Ca -0.18 0.00 0.04 0.00 0.00 0.00 0.00 46.02 45.88 1wj4 n GLY 77 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 1wj4 s TYR 78 N -0.83 -1.54 0.02 1.61 1.51 -1.09 -5.05 117.35 111.98 1wj4 s TYR 78 Ca 0.00 1.07 -0.30 0.00 -1.01 0.00 0.00 57.07 56.83 1wj4 s TYR 78 Cb 0.00 0.33 -0.05 0.00 -0.11 0.00 0.00 41.96 42.13 1wj4 s TYR 78 CO 0.00 -0.88 1.18 -1.25 -1.11 0.00 0.00 175.55 173.49 1wj4 s PRO 79 N 2.86 4.41 0.07 -1.71 0.04 -1.26 -3.37 135.00 136.05 1wj4 s PRO 79 Ca 0.14 1.71 -0.15 0.00 0.04 0.00 0.00 61.00 62.74 1wj4 s PRO 79 Cb -0.10 -3.43 -0.04 0.00 0.04 0.00 0.00 34.50 30.97 1wj4 s PRO 79 CO -0.24 -0.31 1.26 -0.97 0.04 0.00 0.00 177.00 176.79 1wj4 h ASN 80 N 7.03 -0.97 -1.39 6.66 -1.24 -1.90 1.40 115.58 125.16 1wj4 h ASN 80 Ca -0.39 0.14 0.43 0.00 0.71 0.00 0.00 56.30 57.19 1wj4 h ASN 80 Cb 1.20 0.42 -0.09 0.00 0.73 0.00 0.00 38.32 40.57 1wj4 h ASN 80 CO 0.83 -0.15 0.96 -1.84 -1.29 0.00 0.00 177.43 175.94 1wj4 n GLU 81 N -4.04 -0.01 0.00 6.67 0.28 -1.26 -1.94 120.64 120.33 1wj4 n GLU 81 Ca -0.00 0.95 0.00 0.00 -0.16 0.00 0.00 57.16 57.95 1wj4 n GLU 81 Cb 0.15 -2.04 0.00 0.00 1.43 0.00 0.00 31.44 30.98 1wj4 n GLU 81 CO 0.00 0.00 0.00 0.54 -0.16 0.00 0.00 177.13 177.51 1wj4 n ARG 82 N -3.93 0.00 -3.29 3.44 1.74 0.35 -4.95 116.66 110.02 1wj4 n ARG 82 Ca 0.35 0.11 -0.28 0.00 -0.77 0.00 0.00 57.85 57.25 1wj4 n ARG 82 Cb 1.48 -0.47 -0.03 0.00 -1.02 0.00 0.00 32.46 32.42 1wj4 n ARG 82 CO 0.00 0.00 0.00 -0.06 -1.52 0.00 0.00 177.63 176.05 1wj4 s PHE 83 N -0.57 3.48 0.36 -1.55 0.40 0.39 -2.02 117.98 118.47 1wj4 s PHE 83 Ca 0.00 0.63 0.01 0.00 -0.60 0.00 0.00 56.93 56.97 1wj4 s PHE 83 Cb 0.00 -2.10 0.01 0.00 0.51 0.00 0.00 43.02 41.44 1wj4 s PHE 83 CO 0.00 0.13 0.07 -0.85 0.70 0.00 0.00 175.22 175.27 1wj4 n GLU 84 N -1.12 1.09 -4.23 0.44 -0.00 0.12 -3.55 120.64 113.40 1wj4 n GLU 84 Ca -0.02 -2.53 -0.20 0.00 -0.00 0.00 0.00 57.16 54.41 1wj4 n GLU 84 Cb 0.54 0.58 -0.16 0.00 -0.00 0.00 0.00 31.44 32.40 1wj4 n GLU 84 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 177.13 176.62 1wj4 s LEU 85 N 0.00 1.45 0.48 -1.84 1.43 -1.26 -1.90 118.68 117.04 1wj4 s LEU 85 Ca 0.05 -0.15 0.03 0.00 -1.03 0.00 0.00 54.13 53.04 1wj4 s LEU 85 Cb -0.00 -0.48 -0.03 0.00 0.03 0.00 0.00 46.19 45.70 1wj4 s LEU 85 CO 0.03 -0.03 0.02 -0.76 0.23 0.00 0.00 176.35 175.85 1wj4 s LEU 86 N 0.74 2.52 0.00 1.79 1.43 0.71 0.66 118.68 126.54 1wj4 s LEU 86 Ca -0.11 -1.53 0.00 0.00 -1.03 0.00 0.00 54.13 51.46 1wj4 s LEU 86 Cb -0.13 -0.83 0.00 0.00 0.03 0.00 0.00 46.19 45.26 1wj4 s LEU 86 CO 0.01 -0.72 0.00 0.35 0.23 0.00 0.00 176.35 176.21 1wj4 n THR 87 N -1.19 0.00 -2.39 5.49 -2.24 0.12 0.18 114.28 114.25 1wj4 n THR 87 Ca -0.13 0.00 -0.25 0.00 -2.27 0.00 0.00 64.05 61.40 1wj4 n THR 87 Cb 0.67 -0.87 0.10 0.00 -2.10 0.00 0.00 70.33 68.13 1wj4 n THR 87 CO 0.00 0.00 0.00 0.21 -0.57 0.00 0.00 175.07 174.71 1wj4 s ASN 88 N -0.92 4.37 0.03 3.42 3.84 -1.06 -4.44 114.94 120.17 1wj4 s ASN 88 Ca 0.00 -0.02 -0.28 0.00 0.21 0.00 0.00 52.86 52.77 1wj4 s ASN 88 Cb 0.00 -0.43 -0.14 0.00 -0.55 0.00 0.00 41.25 40.12 1wj4 s ASN 88 CO 0.00 -1.85 0.71 2.22 -2.79 0.00 0.00 177.10 175.39 1wj4 n PHE 89 N -2.95 0.32 0.04 0.43 -1.74 -1.26 -2.54 117.46 109.76 1wj4 n PHE 89 Ca 0.12 0.76 -0.09 0.00 -0.56 0.00 0.00 57.45 57.69 1wj4 n PHE 89 Cb 0.60 -1.51 -0.06 0.00 1.52 0.00 0.00 39.48 40.03 1wj4 n PHE 89 CO 0.00 0.00 0.00 -1.00 -0.56 0.00 0.00 176.76 175.20 1wj4 h PRO 90 N 1.93 -0.19 0.00 3.97 0.13 -2.05 -3.50 132.00 132.29 1wj4 h PRO 90 Ca -0.34 0.01 0.00 0.00 -0.87 0.00 0.00 66.00 64.80 1wj4 h PRO 90 Cb 1.04 0.04 0.00 0.00 0.13 0.00 0.00 31.00 32.22 1wj4 h PRO 90 CO 0.46 0.18 0.00 2.89 -0.23 0.00 0.00 178.00 181.30 1wj4 n ARG 91 N -4.89 0.00 -3.53 0.86 -4.01 -1.05 -5.01 116.66 99.03 1wj4 n ARG 91 Ca -0.06 0.00 -0.00 0.00 -1.04 0.00 0.00 57.85 56.74 1wj4 n ARG 91 Cb 0.23 0.00 -0.05 0.00 -3.04 0.00 0.00 32.46 29.60 1wj4 n ARG 91 CO 0.00 0.00 0.00 1.03 -3.04 0.00 0.00 177.63 175.62 1wj4 s ARG 92 N -1.66 0.34 0.18 2.89 0.52 -1.26 -4.88 118.95 115.07 1wj4 s ARG 92 Ca 0.00 0.70 -0.30 0.00 -0.52 0.00 0.00 55.73 55.61 1wj4 s ARG 92 Cb 0.00 0.27 -0.08 0.00 0.52 0.00 0.00 34.95 35.66 1wj4 s ARG 92 CO 0.00 -0.09 0.99 0.15 0.02 0.00 0.00 175.30 176.37 1wj4 s LYS 93 N 1.90 4.73 -1.09 3.54 1.02 -1.26 0.11 119.74 128.69 1wj4 s LYS 93 Ca -0.06 1.55 -0.07 0.00 0.02 0.00 0.00 55.97 57.41 1wj4 s LYS 93 Cb -0.05 -3.31 0.28 0.00 -0.52 0.00 0.00 37.83 34.23 1wj4 s LYS 93 CO -0.16 0.29 1.12 1.28 -0.92 0.00 0.00 175.35 176.96 1wj4 n LEU 94 N 2.12 5.48 0.08 3.17 7.99 0.21 -4.39 117.00 131.66 1wj4 n LEU 94 Ca 0.01 -5.07 0.00 0.00 -0.01 0.00 0.00 56.01 50.93 1wj4 n LEU 94 Cb 0.47 -1.41 0.00 0.00 -0.11 0.00 0.00 43.42 42.38 1wj4 n LEU 94 CO 0.52 1.42 0.00 -0.24 -1.51 0.00 0.00 177.39 177.58 1wj4 n SER 95 N 2.45 -1.50 -0.35 -1.43 2.88 -1.26 -4.72 113.62 109.69 1wj4 n SER 95 Ca 0.24 0.36 0.00 0.00 -1.33 0.00 0.00 58.87 58.14 1wj4 n SER 95 Cb 0.38 1.66 0.06 0.00 -0.75 0.00 0.00 64.21 65.56 1wj4 n SER 95 CO 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 175.04 173.81 1wj4 n HIS 96 N -2.82 0.09 0.00 0.66 1.44 -1.26 -3.07 115.22 110.26 1wj4 n HIS 96 Ca 0.00 1.15 0.00 0.00 -2.01 0.00 0.00 57.72 56.86 1wj4 n HIS 96 Cb 0.00 -0.89 0.00 0.00 0.12 0.00 0.00 29.99 29.22 1wj4 n HIS 96 CO 0.00 0.00 0.00 1.47 -2.81 0.00 0.00 176.34 175.00 1wj4 n LEU 97 N -5.41 0.00 -3.55 2.39 -0.00 -1.26 -5.01 117.00 104.16 1wj4 n LEU 97 Ca 0.11 0.00 -0.08 0.00 -0.00 0.00 0.00 56.01 56.03 1wj4 n LEU 97 Cb 0.39 0.00 -0.03 0.00 -0.00 0.00 0.00 43.42 43.78 1wj4 n LEU 97 CO -0.12 0.00 0.79 -1.81 -0.00 0.00 0.00 177.39 176.25 1wj4 s ASP 98 N -2.38 -0.32 0.04 1.45 1.01 -1.17 -5.04 116.67 110.26 1wj4 s ASP 98 Ca 0.00 0.16 0.22 0.00 0.71 0.00 0.00 52.55 53.64 1wj4 s ASP 98 Cb 0.00 0.30 -0.19 0.00 1.01 0.00 0.00 42.92 44.04 1wj4 s ASP 98 CO 0.00 -0.43 0.73 -1.22 0.21 0.00 0.00 175.17 174.46 1wj4 n TYR 99 N 0.19 0.29 0.26 4.23 4.01 -1.26 -4.02 117.16 120.85 1wj4 n TYR 99 Ca -0.07 0.08 0.13 0.00 -0.16 0.00 0.00 57.90 57.88 1wj4 n TYR 99 Cb 0.60 -0.58 0.66 0.00 -0.31 0.00 0.00 39.34 39.71 1wj4 n TYR 99 CO 0.00 0.00 0.00 0.22 -0.46 0.00 0.00 176.86 176.62 1wj4 h ASP 100 N 0.00 0.00 -1.68 7.72 3.58 -1.96 -2.43 116.42 121.65 1wj4 h ASP 100 Ca 0.00 0.00 -0.09 0.00 0.42 0.00 0.00 57.03 57.36 1wj4 h ASP 100 Cb 0.93 0.00 0.05 0.00 1.72 0.00 0.00 39.33 42.03 1wj4 h ASP 100 CO 0.00 0.13 -0.01 2.30 -2.88 0.00 0.00 179.24 178.77 1wj4 n ILE 101 N -3.41 0.00 -4.30 2.25 -5.35 -1.26 -4.79 119.36 102.51 1wj4 n ILE 101 Ca -0.01 -0.05 -0.28 0.00 -0.27 0.00 0.00 62.75 62.15 1wj4 n ILE 101 Cb 0.30 -0.57 -0.10 0.00 -1.74 0.00 0.00 39.64 37.53 1wj4 n ILE 101 CO 0.00 0.00 0.00 0.42 -1.76 0.00 0.00 176.55 175.21 1wj4 s THR 102 N -1.37 3.05 0.55 7.28 -4.23 -1.26 -3.23 115.64 116.43 1wj4 s THR 102 Ca 0.17 -1.61 0.48 0.00 -1.18 0.00 0.00 61.69 59.55 1wj4 s THR 102 Cb -0.02 -2.47 0.70 0.00 1.34 0.00 0.00 72.50 72.04 1wj4 s THR 102 CO 0.14 -0.04 1.51 0.18 -0.54 0.00 0.00 174.62 175.87 1wj4 n LEU 103 N 0.31 0.00 0.05 4.79 4.77 -0.07 0.17 117.00 127.02 1wj4 n LEU 103 Ca -0.12 0.96 -0.11 0.00 -0.03 0.00 0.00 56.01 56.70 1wj4 n LEU 103 Cb 0.54 -0.47 -0.08 0.00 -2.33 0.00 0.00 43.42 41.09 1wj4 n LEU 103 CO 0.33 -0.96 0.44 -0.61 -1.33 0.00 0.00 177.39 175.26 1wj4 h GLN 104 N 0.00 -0.20 -0.46 3.23 4.15 -1.87 0.66 115.11 120.63 1wj4 h GLN 104 Ca 0.89 0.01 0.09 0.00 0.77 0.00 0.00 58.65 60.41 1wj4 h GLN 104 Cb 3.65 0.05 -0.10 0.00 0.21 0.00 0.00 27.48 31.29 1wj4 h GLN 104 CO -0.01 0.24 -0.22 0.93 -1.93 0.00 0.00 178.83 177.84 1wj4 h GLU 105 N -0.82 -0.12 -0.09 1.69 5.08 0.14 1.17 114.58 121.63 1wj4 h GLU 105 Ca -0.02 0.01 0.03 0.00 -1.00 0.00 0.00 59.36 58.37 1wj4 h GLU 105 Cb 0.53 0.03 -0.00 0.00 0.50 0.00 0.00 28.75 29.81 1wj4 h GLU 105 CO 0.03 -0.08 0.28 0.00 -1.00 0.00 0.00 179.01 178.24 1wj4 h ALA 106 N 1.16 1.47 -0.90 3.43 0.00 -1.39 -3.45 119.26 119.58 1wj4 h ALA 106 Ca 0.21 -0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.12 1wj4 h ALA 106 Cb 0.46 0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.26 1wj4 h ALA 106 CO -0.54 -0.32 0.00 0.41 0.00 0.00 0.00 179.25 178.80 1wj4 n GLY 107 N -1.27 0.88 0.14 0.00 0.00 0.40 -5.00 105.19 100.35 1wj4 n GLY 107 Ca -0.00 -0.50 -0.14 0.00 0.00 0.00 0.00 46.02 45.38 1wj4 n GLY 107 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 1wj4 n LEU 108 N -0.45 2.74 -4.74 0.99 4.32 0.19 -4.97 117.00 115.08 1wj4 n LEU 108 Ca 0.00 -0.05 -0.38 0.00 -0.02 0.00 0.00 56.01 55.57 1wj4 n LEU 108 Cb 0.38 -0.64 0.06 0.00 -1.62 0.00 0.00 43.42 41.60 1wj4 n LEU 108 CO 0.00 0.75 0.95 0.00 -1.22 0.00 0.00 177.39 177.88 1wj4 h PRO 110 N 0.99 0.62 -5.36 0.00 0.13 -1.94 -3.48 132.00 122.96 1wj4 h PRO 110 Ca -0.51 -0.60 -0.46 0.00 -0.87 0.00 0.00 66.00 63.56 1wj4 h PRO 110 Cb 1.32 0.15 -0.26 0.00 0.13 0.00 0.00 31.00 32.35 1wj4 h PRO 110 CO 0.55 1.21 -0.80 1.14 -0.23 0.00 0.00 178.00 179.87 1wj4 s GLN 111 N -3.44 1.01 -0.24 0.86 -2.07 -0.96 -2.49 119.66 112.34 1wj4 s GLN 111 Ca -0.11 -0.70 -0.26 0.00 -1.82 0.00 0.00 55.36 52.47 1wj4 s GLN 111 Cb 0.06 -1.02 0.07 0.00 -1.09 0.00 0.00 33.01 31.04 1wj4 s GLN 111 CO 0.88 0.26 0.74 -2.00 -1.32 0.00 0.00 175.29 173.85 1wj4 s GLU 112 N -0.93 0.84 -0.41 9.60 2.56 -0.48 -4.91 118.70 124.97 1wj4 s GLU 112 Ca 0.03 0.87 -0.24 0.00 0.00 0.00 0.00 54.97 55.62 1wj4 s GLU 112 Cb -0.07 0.41 0.02 0.00 2.00 0.00 0.00 34.13 36.49 1wj4 s GLU 112 CO 0.01 -0.13 0.84 0.99 -0.56 0.00 0.00 175.26 176.41 1wj4 s THR 113 N 0.15 4.63 -0.34 -1.70 2.01 -1.26 -2.70 115.64 116.43 1wj4 s THR 113 Ca -0.01 0.77 -0.21 0.00 0.31 0.00 0.00 61.69 62.55 1wj4 s THR 113 Cb -0.04 -4.31 -0.00 0.00 0.01 0.00 0.00 72.50 68.16 1wj4 s THR 113 CO 0.02 -0.62 0.66 -0.69 -0.69 0.00 0.00 174.62 173.30 1wj4 s VAL 114 N 3.36 4.88 -0.12 3.82 1.01 0.38 -2.58 120.40 131.14 1wj4 s VAL 114 Ca 0.33 0.76 -0.08 0.00 0.00 0.00 0.00 61.98 63.00 1wj4 s VAL 114 Cb -0.12 -4.07 -0.04 0.00 0.00 0.00 0.00 36.38 32.15 1wj4 s VAL 114 CO 0.21 -0.26 0.15 -0.36 0.00 0.00 0.00 175.10 174.84 1wj4 s PHE 115 N 2.74 3.59 -0.18 5.22 0.40 0.47 -0.20 117.98 130.02 1wj4 s PHE 115 Ca 0.26 0.53 -0.13 0.00 -0.60 0.00 0.00 56.93 56.99 1wj4 s PHE 115 Cb -0.14 -1.98 -0.05 0.00 0.51 0.00 0.00 43.02 41.36 1wj4 s PHE 115 CO 0.14 0.69 0.27 0.08 0.70 0.00 0.00 175.22 177.09 1wj4 s VAL 116 N -0.89 5.32 0.02 -0.44 1.01 0.93 0.26 120.40 126.61 1wj4 s VAL 116 Ca 0.15 0.48 -0.00 0.00 0.00 0.00 0.00 61.98 62.60 1wj4 s VAL 116 Cb -0.12 -3.61 -0.02 0.00 0.00 0.00 0.00 36.38 32.63 1wj4 s VAL 116 CO 0.04 0.38 -0.03 -1.58 0.00 0.00 0.00 175.10 173.91 1wj4 s GLN 117 N 0.61 0.33 -0.01 2.72 0.74 -0.80 -3.98 119.66 119.27 1wj4 s GLN 117 Ca 0.15 -0.63 -0.30 0.00 0.05 0.00 0.00 55.36 54.62 1wj4 s GLN 117 Cb -0.13 0.12 -0.07 0.00 1.10 0.00 0.00 33.01 34.03 1wj4 s GLN 117 CO 0.03 -0.05 1.80 -1.21 -0.55 0.00 0.00 175.29 175.31 1wj4 s GLU 118 N -1.57 4.16 -0.36 1.67 2.02 -1.26 0.15 118.70 123.51 1wj4 s GLU 118 Ca -0.15 2.39 -0.29 0.00 0.02 0.00 0.00 54.97 56.94 1wj4 s GLU 118 Cb -0.09 -4.05 0.01 0.00 0.10 0.00 0.00 34.13 30.10 1wj4 s GLU 118 CO -0.01 -0.89 1.31 0.45 0.02 0.00 0.00 175.26 176.13 1wj4 s SER 119 N 3.80 6.57 0.00 -0.19 0.15 -0.86 -4.77 113.70 118.39 1wj4 s SER 119 Ca 0.80 0.98 0.00 0.00 0.70 0.00 0.00 55.95 58.43 1wj4 s SER 119 Cb -0.38 -2.54 0.00 0.00 -1.71 0.00 0.00 66.02 61.39 1wj4 s SER 119 CO 0.35 -1.21 0.00 0.61 1.20 0.00 0.00 173.24 174.19 1wj4 n GLY 120 N 4.61 -0.64 0.12 9.45 0.00 -1.26 -4.76 105.19 112.71 1wj4 n GLY 120 Ca 0.15 -1.59 -0.05 0.00 0.00 0.00 0.00 46.02 44.53 1wj4 n GLY 120 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1wj4 h PRO 121 N 0.00 0.10 -7.07 1.61 0.13 -2.01 -3.45 132.00 121.31 1wj4 h PRO 121 Ca 0.00 -0.10 -0.49 0.00 -0.87 0.00 0.00 66.00 64.55 1wj4 h PRO 121 Cb 0.00 0.03 0.05 0.00 0.13 0.00 0.00 31.00 31.20 1wj4 h PRO 121 CO 0.00 0.83 0.18 -1.12 -0.23 0.00 0.00 178.00 177.65 1wj4 s SER 122 N -6.86 5.97 0.04 1.44 0.01 -1.26 -5.10 113.70 107.94 1wj4 s SER 122 Ca -0.02 0.90 0.02 0.00 1.31 0.00 0.00 55.95 58.16 1wj4 s SER 122 Cb 0.11 -2.04 -0.02 0.00 0.21 0.00 0.00 66.02 64.27 1wj4 s SER 122 CO 0.80 -0.82 -0.06 -0.55 0.41 0.00 0.00 173.24 173.01 1wj4 s SER 123 N -4.20 0.72 0.00 2.44 0.15 -1.26 -4.92 113.70 106.63 1wj4 s SER 123 Ca 0.51 -0.58 0.00 0.00 0.70 0.00 0.00 55.95 56.58 1wj4 s SER 123 Cb -0.10 0.06 0.00 0.00 -1.71 0.00 0.00 66.02 64.26 1wj4 s SER 123 CO 0.46 -0.25 0.00 0.61 1.20 0.00 0.00 173.24 175.26