#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 -1.06 -0.30 1.61 0.01 -1.26 -5.13 113.70 107.56 1wj4 s SER 2 Ca 0.00 0.09 -0.19 0.00 1.31 0.00 0.00 55.95 57.16 1wj4 s SER 2 Cb 0.00 1.65 0.19 0.00 0.21 0.00 0.00 66.02 68.07 1wj4 s SER 2 CO 0.00 -0.19 1.27 -0.94 0.41 0.00 0.00 173.24 173.79 1wj4 s SER 3 N 2.83 -0.08 -0.07 2.44 1.04 -1.26 -5.16 113.70 113.44 1wj4 s SER 3 Ca 0.18 0.10 0.05 0.00 0.48 0.00 0.00 55.95 56.76 1wj4 s SER 3 Cb -0.06 1.09 -0.01 0.00 0.10 0.00 0.00 66.02 67.14 1wj4 s SER 3 CO -0.24 -0.02 -0.22 -0.83 0.98 0.00 0.00 173.24 172.92 1wj4 s GLY 4 N 2.30 1.36 -0.30 7.32 0.00 -1.26 -5.08 107.32 111.66 1wj4 s GLY 4 Ca -0.02 -1.01 -0.15 0.00 0.00 0.00 0.00 44.72 43.54 1wj4 s GLY 4 CO -0.14 -0.56 1.15 -0.45 0.00 0.00 0.00 173.10 173.10 1wj4 s SER 5 N -0.10 -0.19 -0.08 1.64 0.15 -1.26 -5.18 113.70 108.68 1wj4 s SER 5 Ca -0.05 0.06 -0.32 0.00 0.70 0.00 0.00 55.95 56.34 1wj4 s SER 5 Cb -0.14 1.14 0.13 0.00 -1.71 0.00 0.00 66.02 65.43 1wj4 s SER 5 CO 0.04 -0.04 1.26 -0.55 1.20 0.00 0.00 173.24 175.16 1wj4 s SER 6 N 2.98 -0.08 -0.30 5.45 0.15 -1.26 -5.16 113.70 115.48 1wj4 s SER 6 Ca 0.15 -0.09 -0.17 0.00 0.70 0.00 0.00 55.95 56.54 1wj4 s SER 6 Cb -0.04 0.15 0.17 0.00 -1.71 0.00 0.00 66.02 64.60 1wj4 s SER 6 CO -0.16 -0.27 1.20 -0.83 1.20 0.00 0.00 173.24 174.38 1wj4 s GLY 7 N -2.68 -0.34 0.58 9.45 0.00 -1.26 -5.18 107.32 107.88 1wj4 s GLY 7 Ca 0.12 2.88 0.07 0.00 0.00 0.00 0.00 44.72 47.79 1wj4 s GLY 7 CO -0.04 4.06 0.60 -1.30 0.00 0.00 0.00 173.10 176.41 1wj4 n THR 8 N 5.34 0.00 -3.33 0.90 -2.24 -1.26 -5.14 114.28 108.55 1wj4 n THR 8 Ca -0.03 -2.12 0.03 0.00 -2.27 0.00 0.00 64.05 59.67 1wj4 n THR 8 Cb 0.56 -0.23 -0.05 0.00 -2.10 0.00 0.00 70.33 68.51 1wj4 n THR 8 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 1wj4 s ALA 9 N -2.77 -3.09 0.28 6.98 0.00 -1.26 -5.18 121.76 116.72 1wj4 s ALA 9 Ca 0.45 1.85 0.04 0.00 0.00 0.00 0.00 51.96 54.30 1wj4 s ALA 9 Cb -0.04 -2.20 -0.06 0.00 0.00 0.00 0.00 23.12 20.83 1wj4 s ALA 9 CO 0.29 -0.77 0.03 0.95 0.00 0.00 0.00 175.76 176.26 1wj4 s THR 10 N 1.73 1.11 0.16 0.00 -4.23 -1.26 -5.16 115.64 107.99 1wj4 s THR 10 Ca -0.02 -2.02 -0.25 0.00 -1.18 0.00 0.00 61.69 58.22 1wj4 s THR 10 Cb -0.01 -2.58 0.06 0.00 1.34 0.00 0.00 72.50 71.30 1wj4 s THR 10 CO -0.14 -0.14 0.90 0.20 -0.54 0.00 0.00 174.62 174.89 1wj4 s ASN 11 N -3.40 -0.22 0.06 3.99 -0.87 -1.26 -5.19 114.94 108.06 1wj4 s ASN 11 Ca 0.33 -0.40 -0.27 0.00 -1.57 0.00 0.00 52.86 50.95 1wj4 s ASN 11 Cb 0.07 0.53 0.09 0.00 -0.02 0.00 0.00 41.25 41.92 1wj4 s ASN 11 CO 0.13 -0.96 1.16 -1.00 -2.57 0.00 0.00 177.10 173.86 1wj4 s HIS 12 N -3.40 -0.03 0.00 2.20 3.76 -1.26 -5.17 115.29 111.39 1wj4 s HIS 12 Ca 0.11 -0.18 0.00 0.00 -0.15 0.00 0.00 55.06 54.84 1wj4 s HIS 12 Cb -0.02 0.60 0.00 0.00 1.11 0.00 0.00 32.58 34.27 1wj4 s HIS 12 CO 0.02 -0.53 0.00 0.94 -0.85 0.00 0.00 174.74 174.32 1wj4 n GLN 13 N -0.59 0.00 0.00 1.40 7.27 -1.26 -5.16 117.38 119.04 1wj4 n GLN 13 Ca -0.05 0.00 0.00 0.00 0.07 0.00 0.00 57.00 57.02 1wj4 n GLN 13 Cb 0.61 0.00 0.00 0.00 2.41 0.00 0.00 30.24 33.26 1wj4 n GLN 13 CO 0.00 0.00 0.00 0.41 0.07 0.00 0.00 177.06 177.54 1wj4 n GLY 14 N 0.00 0.76 2.96 1.69 0.00 -1.26 -4.99 105.19 104.34 1wj4 n GLY 14 Ca 0.00 -1.65 -0.31 0.00 0.00 0.00 0.00 46.02 44.07 1wj4 n GLY 14 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1wj4 s LEU 15 N -0.93 3.05 0.69 0.99 2.01 -1.26 -5.12 118.68 118.11 1wj4 s LEU 15 Ca 0.00 -1.42 -0.11 0.00 0.01 0.00 0.00 54.13 52.61 1wj4 s LEU 15 Cb 0.00 -1.29 0.00 0.00 0.01 0.00 0.00 46.19 44.92 1wj4 s LEU 15 CO 0.00 -0.27 1.06 -2.16 1.01 0.00 0.00 176.35 175.99 1wj4 s PRO 16 N 1.28 2.97 -0.34 1.29 0.04 -1.26 -5.00 135.00 133.98 1wj4 s PRO 16 Ca -0.02 0.97 0.04 0.00 0.04 0.00 0.00 61.00 62.02 1wj4 s PRO 16 Cb -0.19 -1.99 0.17 0.00 0.04 0.00 0.00 34.50 32.52 1wj4 s PRO 16 CO -0.08 -1.07 1.16 0.00 0.04 0.00 0.00 177.00 177.04 1wj4 n ALA 17 N -3.05 -1.48 -3.63 8.56 0.00 -1.26 -5.14 120.51 114.51 1wj4 n ALA 17 Ca 0.08 -0.67 -0.12 0.00 0.00 0.00 0.00 53.44 52.72 1wj4 n ALA 17 Cb 0.53 -1.17 -0.07 0.00 0.00 0.00 0.00 19.45 18.74 1wj4 n ALA 17 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 177.50 178.04 1wj4 s VAL 18 N 0.08 0.00 0.00 0.00 0.11 -1.26 -5.12 120.40 114.20 1wj4 s VAL 18 Ca 0.10 0.00 0.00 0.00 -2.93 0.00 0.00 61.98 59.15 1wj4 s VAL 18 Cb 0.17 -1.00 0.00 0.00 -1.53 0.00 0.00 36.38 34.02 1wj4 s VAL 18 CO -0.05 0.00 0.00 -0.67 -3.33 0.00 0.00 175.10 171.05 1wj4 n ASP 19 N 2.85 0.00 0.00 3.54 -0.08 -1.26 -5.11 116.55 116.49 1wj4 n ASP 19 Ca -0.15 0.00 0.00 0.00 -1.51 0.00 0.00 54.79 53.13 1wj4 n ASP 19 Cb 0.56 0.00 0.00 0.00 2.34 0.00 0.00 41.12 44.02 1wj4 n ASP 19 CO 0.00 0.00 0.00 -0.24 0.12 0.00 0.00 177.20 177.08 1wj4 n SER 20 N 0.00 0.00 -0.08 1.67 2.88 -1.26 -5.08 113.62 111.75 1wj4 n SER 20 Ca 0.00 0.00 -0.08 0.00 -1.33 0.00 0.00 58.87 57.46 1wj4 n SER 20 Cb 0.00 0.00 -0.03 0.00 -0.75 0.00 0.00 64.21 63.43 1wj4 n SER 20 CO 0.00 0.00 0.00 -0.62 -1.23 0.00 0.00 175.04 173.19 1wj4 n GLU 21 N 0.00 0.48 -1.99 -1.46 4.71 -1.26 -4.95 120.64 116.16 1wj4 n GLU 21 Ca 0.00 0.19 -0.41 0.00 -0.01 0.00 0.00 57.16 56.92 1wj4 n GLU 21 Cb 0.00 -1.34 -0.02 0.00 -1.01 0.00 0.00 31.44 29.07 1wj4 n GLU 21 CO 0.00 0.00 0.00 0.42 0.09 0.00 0.00 177.13 177.64 1wj4 s ILE 22 N -2.73 2.64 -0.39 -3.67 1.01 -1.26 -4.98 121.20 111.83 1wj4 s ILE 22 Ca -0.26 0.52 0.05 0.00 0.00 0.00 0.00 60.65 60.96 1wj4 s ILE 22 Cb 0.04 -3.33 0.17 0.00 0.01 0.00 0.00 42.46 39.34 1wj4 s ILE 22 CO 0.39 0.08 0.48 -0.76 0.00 0.00 0.00 174.94 175.13 1wj4 s LEU 23 N -0.19 -0.68 -0.36 2.97 1.43 -1.26 -5.08 118.68 115.51 1wj4 s LEU 23 Ca 0.61 -1.25 0.00 0.00 -1.03 0.00 0.00 54.13 52.46 1wj4 s LEU 23 Cb -0.42 1.16 0.14 0.00 0.03 0.00 0.00 46.19 47.09 1wj4 s LEU 23 CO 0.42 -0.22 0.22 -0.70 0.23 0.00 0.00 176.35 176.30 1wj4 s GLU 24 N 1.60 0.65 0.80 1.70 2.12 -1.26 -5.13 118.70 119.18 1wj4 s GLU 24 Ca 0.17 -1.43 -0.12 0.00 0.36 0.00 0.00 54.97 53.94 1wj4 s GLU 24 Cb -0.11 -1.44 0.08 0.00 0.26 0.00 0.00 34.13 32.93 1wj4 s GLU 24 CO -0.05 -1.21 1.16 0.00 -0.54 0.00 0.00 175.26 174.63 1wj4 s MET 25 N 0.96 1.78 0.71 4.30 0.23 -1.26 -5.00 119.30 121.02 1wj4 s MET 25 Ca 0.18 1.56 -0.11 0.00 -1.03 0.00 0.00 55.69 56.30 1wj4 s MET 25 Cb -0.23 -1.81 0.02 0.00 -1.53 0.00 0.00 34.83 31.28 1wj4 s MET 25 CO 0.00 -2.07 1.07 -1.25 -2.03 0.00 0.00 175.02 170.74 1wj4 s PRO 26 N -4.36 2.82 -0.18 3.16 0.04 -1.26 -4.98 135.00 130.25 1wj4 s PRO 26 Ca 0.69 0.91 -0.29 0.00 0.04 0.00 0.00 61.00 62.34 1wj4 s PRO 26 Cb -0.24 -1.98 -0.01 0.00 0.04 0.00 0.00 34.50 32.30 1wj4 s PRO 26 CO 0.51 -1.17 1.28 -1.25 0.04 0.00 0.00 177.00 176.42 1wj4 s PRO 27 N -5.06 4.19 0.39 0.56 0.04 -1.26 -5.02 135.00 128.83 1wj4 s PRO 27 Ca 0.58 1.63 0.00 0.00 0.04 0.00 0.00 61.00 63.26 1wj4 s PRO 27 Cb -0.14 -3.79 -0.02 0.00 0.04 0.00 0.00 34.50 30.59 1wj4 s PRO 27 CO 0.55 -0.77 0.60 -1.83 0.04 0.00 0.00 177.00 175.59 1wj4 s GLU 28 N 3.61 3.36 0.53 4.56 -1.05 -1.26 -4.96 118.70 123.49 1wj4 s GLU 28 Ca 0.56 -0.35 0.00 0.00 -0.15 0.00 0.00 54.97 55.02 1wj4 s GLU 28 Cb -0.21 -2.61 0.00 0.00 -0.44 0.00 0.00 34.13 30.86 1wj4 s GLU 28 CO 0.16 -0.00 0.00 1.63 0.95 0.00 0.00 175.26 178.00 1wj4 n LYS 29 N -1.91 -2.81 -3.45 -4.83 5.02 -1.26 -5.05 118.16 103.87 1wj4 n LYS 29 Ca -0.02 2.30 -0.14 0.00 -2.02 0.00 0.00 58.31 58.43 1wj4 n LYS 29 Cb 0.57 -3.28 -0.03 0.00 -0.02 0.00 0.00 35.03 32.26 1wj4 n LYS 29 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 1wj4 s ALA 30 N -4.09 -1.65 -0.72 7.82 0.00 -1.26 -5.09 121.76 116.77 1wj4 s ALA 30 Ca 0.00 0.74 -0.26 0.00 0.00 0.00 0.00 51.96 52.45 1wj4 s ALA 30 Cb 0.00 0.62 -0.04 0.00 0.00 0.00 0.00 23.12 23.70 1wj4 s ALA 30 CO 0.00 -0.65 1.97 0.16 0.00 0.00 0.00 175.76 177.24 1wj4 s ASP 31 N -2.29 5.07 0.00 0.00 -4.77 -1.26 -4.83 116.67 108.60 1wj4 s ASP 31 Ca -0.02 0.01 0.00 0.00 -3.30 0.00 0.00 52.55 49.24 1wj4 s ASP 31 Cb -0.01 -2.54 0.00 0.00 -1.09 0.00 0.00 42.92 39.28 1wj4 s ASP 31 CO -0.06 -2.64 0.00 0.61 0.70 0.00 0.00 175.17 173.77 1wj4 n GLY 32 N 6.21 2.59 3.28 2.12 0.00 -1.26 -4.93 105.19 113.20 1wj4 n GLY 32 Ca 0.30 -0.35 -0.15 0.00 0.00 0.00 0.00 46.02 45.83 1wj4 n GLY 32 CO 0.00 0.00 0.00 1.55 0.00 0.00 0.00 173.32 174.87 1wj4 n VAL 33 N 0.00 -1.69 -3.26 1.61 3.14 -1.26 -4.80 118.33 112.08 1wj4 n VAL 33 Ca 0.00 -0.04 -0.46 0.00 -2.96 0.00 0.00 64.34 60.88 1wj4 n VAL 33 Cb 0.00 -1.50 -0.02 0.00 -1.06 0.00 0.00 33.84 31.26 1wj4 n VAL 33 CO 0.00 0.00 0.00 -0.69 -6.46 0.00 0.00 176.83 169.68 1wj4 s VAL 34 N -2.71 5.42 -0.19 1.55 1.01 -1.26 -5.02 120.40 119.20 1wj4 s VAL 34 Ca 0.03 -2.22 -0.07 0.00 0.00 0.00 0.00 61.98 59.71 1wj4 s VAL 34 Cb -0.02 -4.51 -0.04 0.00 0.00 0.00 0.00 36.38 31.81 1wj4 s VAL 34 CO 0.49 -1.10 0.05 -0.70 0.00 0.00 0.00 175.10 173.84 1wj4 s GLU 35 N 0.73 3.87 0.00 2.72 2.12 -1.26 -5.02 118.70 121.86 1wj4 s GLU 35 Ca 0.19 -0.39 0.00 0.00 0.36 0.00 0.00 54.97 55.13 1wj4 s GLU 35 Cb -0.11 -3.20 0.00 0.00 0.26 0.00 0.00 34.13 31.08 1wj4 s GLU 35 CO -0.08 0.17 0.00 0.41 -0.54 0.00 0.00 175.26 175.22 1wj4 n GLY 36 N 3.84 4.15 3.60 -1.50 0.00 -1.26 -5.12 105.19 108.89 1wj4 n GLY 36 Ca -0.16 -0.48 -0.42 0.00 0.00 0.00 0.00 46.02 44.96 1wj4 n GLY 36 CO 0.00 0.00 0.00 0.29 0.00 0.00 0.00 173.32 173.61 1wj4 n ILE 37 N -0.78 2.39 -3.43 -0.61 -5.35 -1.26 -4.94 119.36 105.38 1wj4 n ILE 37 Ca 0.00 -0.50 -0.38 0.00 -0.27 0.00 0.00 62.75 61.60 1wj4 n ILE 37 Cb 0.00 -1.10 -0.08 0.00 -1.74 0.00 0.00 39.64 36.73 1wj4 n ILE 37 CO 0.00 0.00 0.00 -1.81 -1.76 0.00 0.00 176.55 172.98 1wj4 s ASP 38 N -0.75 6.40 0.56 7.28 1.01 -1.26 -4.94 116.67 124.97 1wj4 s ASP 38 Ca 0.63 0.47 0.26 0.00 0.71 0.00 0.00 52.55 54.62 1wj4 s ASP 38 Cb -0.57 -2.21 1.53 0.00 1.01 0.00 0.00 42.92 42.68 1wj4 s ASP 38 CO 0.57 -0.04 2.09 1.62 0.21 0.00 0.00 175.17 179.62 1wj4 h VAL 39 N 4.99 0.63 -2.73 -1.27 3.04 -2.07 -3.41 116.25 115.43 1wj4 h VAL 39 Ca -0.37 0.00 -0.59 0.00 -1.01 0.00 0.00 66.70 64.73 1wj4 h VAL 39 Cb 1.16 0.85 -0.10 0.00 -2.01 0.00 0.00 31.29 31.19 1wj4 h VAL 39 CO 0.71 0.00 -0.63 0.21 -1.01 0.00 0.00 177.57 176.85 1wj4 s ASN 40 N -6.13 4.93 0.77 3.17 2.47 -1.26 -5.09 114.94 113.80 1wj4 s ASN 40 Ca -0.05 -0.36 -0.15 0.00 0.42 0.00 0.00 52.86 52.72 1wj4 s ASN 40 Cb 0.17 -1.10 -0.02 0.00 -1.45 0.00 0.00 41.25 38.84 1wj4 s ASN 40 CO 0.61 0.07 0.53 0.61 -3.72 0.00 0.00 177.10 175.20 1wj4 n GLY 41 N -0.30 -1.57 3.77 1.21 0.00 -1.26 -4.92 105.19 102.11 1wj4 n GLY 41 Ca -0.09 -0.46 -0.39 0.00 0.00 0.00 0.00 46.02 45.09 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 -2.97 4.48 0.42 1.61 0.04 -1.26 -4.80 135.00 132.53 1wj4 s PRO 42 Ca 0.64 1.68 -0.23 0.00 0.04 0.00 0.00 61.00 63.12 1wj4 s PRO 42 Cb -0.32 -2.96 -0.11 0.00 0.04 0.00 0.00 34.50 31.15 1wj4 s PRO 42 CO 0.59 0.10 0.86 1.63 0.04 0.00 0.00 177.00 180.23 1wj4 n LYS 43 N 0.75 1.06 -3.17 4.56 5.02 -1.26 -4.42 118.16 120.70 1wj4 n LYS 43 Ca 0.01 0.38 -0.40 0.00 -2.02 0.00 0.00 58.31 56.28 1wj4 n LYS 43 Cb 0.47 -1.87 -0.07 0.00 -0.02 0.00 0.00 35.03 33.54 1wj4 n LYS 43 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 1wj4 s ALA 44 N -1.34 3.57 -0.17 7.82 0.00 0.49 -4.90 121.76 127.23 1wj4 s ALA 44 Ca 0.64 -0.60 -0.23 0.00 0.00 0.00 0.00 51.96 51.76 1wj4 s ALA 44 Cb -0.57 -2.99 -0.02 0.00 0.00 0.00 0.00 23.12 19.54 1wj4 s ALA 44 CO 0.57 -0.88 0.73 -0.65 0.00 0.00 0.00 175.76 175.53 1wj4 s GLN 45 N 2.45 4.27 -0.07 0.00 -0.21 -1.05 -0.66 119.66 124.39 1wj4 s GLN 45 Ca 0.23 0.83 0.05 0.00 0.02 0.00 0.00 55.36 56.49 1wj4 s GLN 45 Cb -0.15 -3.56 -0.00 0.00 1.00 0.00 0.00 33.01 30.29 1wj4 s GLN 45 CO 0.10 -0.25 -0.23 -0.51 -2.12 0.00 0.00 175.29 172.28 1wj4 s LEU 46 N 1.92 2.02 -0.39 2.90 2.01 -0.66 -1.24 118.68 125.24 1wj4 s LEU 46 Ca 0.34 -0.49 -0.15 0.00 0.01 0.00 0.00 54.13 53.84 1wj4 s LEU 46 Cb -0.16 -1.29 0.01 0.00 0.01 0.00 0.00 46.19 44.76 1wj4 s LEU 46 CO 0.12 0.18 0.33 -0.32 1.01 0.00 0.00 176.35 177.67 1wj4 s MET 47 N 0.13 3.20 -0.44 1.70 1.75 -0.55 -0.78 119.30 124.31 1wj4 s MET 47 Ca -0.11 -0.78 -0.24 0.00 -1.25 0.00 0.00 55.69 53.31 1wj4 s MET 47 Cb -0.15 -3.91 0.02 0.00 2.84 0.00 0.00 34.83 33.63 1wj4 s MET 47 CO 0.06 -0.68 0.83 -0.51 -0.65 0.00 0.00 175.02 174.06 1wj4 s LEU 48 N 1.86 4.17 -0.44 4.11 1.43 0.58 0.21 118.68 130.60 1wj4 s LEU 48 Ca 0.08 0.00 -0.06 0.00 -1.03 0.00 0.00 54.13 53.12 1wj4 s LEU 48 Cb -0.18 -3.04 0.11 0.00 0.03 0.00 0.00 46.19 43.12 1wj4 s LEU 48 CO 0.11 -0.94 0.27 -0.13 0.23 0.00 0.00 176.35 175.90 1wj4 s ARG 49 N 3.41 2.29 0.65 1.70 1.81 -0.29 0.18 118.95 128.71 1wj4 s ARG 49 Ca 0.32 -1.75 -0.13 0.00 -1.72 0.00 0.00 55.73 52.45 1wj4 s ARG 49 Cb -0.12 -3.76 -0.01 0.00 -0.45 0.00 0.00 34.95 30.62 1wj4 s ARG 49 CO 0.23 -1.11 1.06 0.71 -0.68 0.00 0.00 175.30 175.51 1wj4 s TYR 50 N 1.27 3.06 -0.09 -0.53 2.02 0.49 0.10 117.35 123.67 1wj4 s TYR 50 Ca 0.06 1.46 0.25 0.00 -0.37 0.00 0.00 57.07 58.47 1wj4 s TYR 50 Cb -0.24 -2.93 0.74 0.00 -0.40 0.00 0.00 41.96 39.12 1wj4 s TYR 50 CO -0.02 -1.18 1.75 -1.00 -1.57 0.00 0.00 175.55 173.53 1wj4 h PRO 51 N -0.22 0.00 0.00 -1.71 0.13 -1.79 -2.81 132.00 125.60 1wj4 h PRO 51 Ca -0.45 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.68 1wj4 h PRO 51 Cb 1.21 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.34 1wj4 h PRO 51 CO 0.57 0.14 0.00 -0.25 -0.23 0.00 0.00 178.00 178.23 1wj4 n ASP 52 N -3.20 0.40 0.00 1.44 8.00 -1.26 -4.80 116.55 117.13 1wj4 n ASP 52 Ca 0.02 0.65 0.00 0.00 0.71 0.00 0.00 54.79 56.17 1wj4 n ASP 52 Cb 0.47 -0.71 0.00 0.00 -0.02 0.00 0.00 41.12 40.86 1wj4 n ASP 52 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 1wj4 n GLY 53 N -0.87 2.80 3.87 0.44 0.00 -1.06 -5.08 105.19 105.29 1wj4 n GLY 53 Ca 0.00 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.72 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 -0.49 3.65 0.19 1.61 1.02 -1.26 -4.86 119.74 119.60 1wj4 s LYS 54 Ca 0.00 0.68 -0.02 0.00 0.02 0.00 0.00 55.97 56.65 1wj4 s LYS 54 Cb 0.00 -2.15 -0.04 0.00 -0.52 0.00 0.00 37.83 35.12 1wj4 s LYS 54 CO 0.00 -0.44 0.14 -0.98 -0.92 0.00 0.00 175.35 173.15 1wj4 s ARG 55 N -4.87 1.16 -0.25 1.68 1.70 -1.26 -0.38 118.95 116.73 1wj4 s ARG 55 Ca 0.54 -1.56 -0.13 0.00 -0.47 0.00 0.00 55.73 54.11 1wj4 s ARG 55 Cb -0.11 0.28 0.08 0.00 -0.57 0.00 0.00 34.95 34.63 1wj4 s ARG 55 CO 0.48 -0.38 0.60 -2.00 -1.08 0.00 0.00 175.30 172.92 1wj4 s GLU 56 N -4.12 0.60 -0.38 3.89 2.12 0.49 -4.95 118.70 116.34 1wj4 s GLU 56 Ca 0.34 1.13 -0.13 0.00 0.36 0.00 0.00 54.97 56.67 1wj4 s GLU 56 Cb 0.07 0.18 0.01 0.00 0.26 0.00 0.00 34.13 34.65 1wj4 s GLU 56 CO 0.09 -0.16 0.26 -1.14 -0.54 0.00 0.00 175.26 173.77 1wj4 s GLN 57 N 1.75 3.05 0.48 4.30 0.74 -1.26 0.22 119.66 128.93 1wj4 s GLN 57 Ca -0.09 -0.95 0.08 0.00 0.05 0.00 0.00 55.36 54.45 1wj4 s GLN 57 Cb -0.07 -3.87 0.02 0.00 1.10 0.00 0.00 33.01 30.20 1wj4 s GLN 57 CO -0.18 -0.66 0.51 0.96 -0.55 0.00 0.00 175.29 175.37 1wj4 s ILE 58 N 1.65 2.41 -0.24 -2.34 -4.36 0.04 -4.96 121.20 113.40 1wj4 s ILE 58 Ca 0.04 -1.23 -0.03 0.00 -0.26 0.00 0.00 60.65 59.17 1wj4 s ILE 58 Cb -0.19 -2.64 0.08 0.00 1.25 0.00 0.00 42.46 40.96 1wj4 s ILE 58 CO 0.09 0.00 0.08 -0.89 0.24 0.00 0.00 174.94 174.46 1wj4 s THR 59 N -2.55 0.40 0.32 8.37 2.01 -1.26 -1.66 115.64 121.27 1wj4 s THR 59 Ca 0.50 -0.75 0.07 0.00 0.31 0.00 0.00 61.69 61.82 1wj4 s THR 59 Cb -0.05 -1.11 -0.02 0.00 0.01 0.00 0.00 72.50 71.33 1wj4 s THR 59 CO 0.30 -0.44 0.33 -0.76 -0.69 0.00 0.00 174.62 173.37 1wj4 s LEU 60 N 1.89 3.78 0.57 4.42 1.02 0.17 -4.88 118.68 125.65 1wj4 s LEU 60 Ca 0.04 -0.34 -0.16 0.00 0.02 0.00 0.00 54.13 53.69 1wj4 s LEU 60 Cb -0.17 -2.43 -0.05 0.00 0.02 0.00 0.00 46.19 43.57 1wj4 s LEU 60 CO -0.18 -0.31 1.05 -2.16 0.02 0.00 0.00 176.35 174.76 1wj4 s PRO 61 N -4.02 3.46 0.24 1.29 0.04 -1.26 0.18 135.00 134.93 1wj4 s PRO 61 Ca 0.40 1.20 -0.05 0.00 0.04 0.00 0.00 61.00 62.59 1wj4 s PRO 61 Cb -0.07 -2.05 0.34 0.00 0.04 0.00 0.00 34.50 32.76 1wj4 s PRO 61 CO 0.28 -0.70 1.83 0.93 0.04 0.00 0.00 177.00 179.38 1wj4 h GLU 62 N 0.65 0.85 -2.30 4.56 5.08 -1.87 -2.68 114.58 118.87 1wj4 h GLU 62 Ca -0.47 -0.05 -0.78 0.00 -1.00 0.00 0.00 59.36 57.06 1wj4 h GLU 62 Cb 1.22 -0.19 -0.29 0.00 0.50 0.00 0.00 28.75 29.99 1wj4 h GLU 62 CO 0.58 0.56 0.81 0.00 -1.00 0.00 0.00 179.01 179.96 1wj4 n GLN 63 N -4.68 5.11 -5.15 2.33 10.64 -1.26 -3.13 117.38 121.23 1wj4 n GLN 63 Ca 0.12 -4.69 -0.32 0.00 -1.83 0.00 0.00 57.00 50.28 1wj4 n GLN 63 Cb 0.21 -2.44 -0.16 0.00 -0.86 0.00 0.00 30.24 26.98 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 -4.13 2.25 -0.05 2.61 0.00 -1.01 -4.89 121.76 116.53 1wj4 s ALA 64 Ca 0.40 -0.96 -0.34 0.00 0.00 0.00 0.00 51.96 51.06 1wj4 s ALA 64 Cb 0.19 -0.87 -0.11 0.00 0.00 0.00 0.00 23.12 22.33 1wj4 s ALA 64 CO -0.12 0.30 1.88 1.63 0.00 0.00 0.00 175.76 179.45 1wj4 n LYS 65 N 3.46 2.29 -0.60 0.00 4.76 -1.23 -0.34 118.16 126.50 1wj4 n LYS 65 Ca -0.19 0.84 0.46 0.00 -2.87 0.00 0.00 58.31 56.55 1wj4 n LYS 65 Cb 0.53 -2.70 0.72 0.00 -1.84 0.00 0.00 35.03 31.74 1wj4 n LYS 65 CO 0.00 0.00 0.00 -0.11 -1.37 0.00 0.00 177.40 175.92 1wj4 n LEU 66 N 6.57 0.03 -0.33 -0.35 7.94 -0.85 0.31 117.00 130.33 1wj4 n LEU 66 Ca 0.22 0.96 0.10 0.00 -1.11 0.00 0.00 56.01 56.18 1wj4 n LEU 66 Cb 0.31 -0.48 0.27 0.00 0.53 0.00 0.00 43.42 44.05 1wj4 n LEU 66 CO 0.72 -0.98 1.15 0.25 -1.11 0.00 0.00 177.39 177.42 1wj4 h LEU 67 N 0.00 0.68 -0.77 -1.96 5.85 -1.86 0.39 115.31 117.64 1wj4 h LEU 67 Ca 0.84 0.09 0.15 0.00 0.84 0.00 0.00 57.88 59.81 1wj4 h LEU 67 Cb 3.26 -0.03 -0.15 0.00 0.37 0.00 0.00 40.66 44.12 1wj4 h LEU 67 CO -0.08 0.27 -0.19 0.00 -0.34 0.00 0.00 178.44 178.09 1wj4 h ALA 68 N 1.60 0.51 -0.48 1.25 0.00 0.46 2.40 119.26 125.00 1wj4 h ALA 68 Ca 0.52 0.30 -0.07 0.00 0.00 0.00 0.00 54.91 55.66 1wj4 h ALA 68 Cb 0.75 0.59 -0.02 0.00 0.00 0.00 0.00 17.79 19.11 1wj4 h ALA 68 CO -0.37 -0.41 0.02 1.25 0.00 0.00 0.00 179.25 179.74 1wj4 h LEU 69 N 0.00 0.75 0.15 0.00 7.12 -1.07 -0.81 115.31 121.45 1wj4 h LEU 69 Ca 0.37 -0.18 -0.01 0.00 0.13 0.00 0.00 57.88 58.20 1wj4 h LEU 69 Cb 0.57 -0.20 0.00 0.00 -0.53 0.00 0.00 40.66 40.50 1wj4 h LEU 69 CO -0.80 0.81 -0.07 0.58 -0.13 0.00 0.00 178.44 178.84 1wj4 h VAL 70 N 0.74 1.00 -0.81 1.05 2.07 0.18 -2.59 116.25 117.89 1wj4 h VAL 70 Ca 0.15 -0.70 0.14 0.00 0.82 0.00 0.00 66.70 67.11 1wj4 h VAL 70 Cb 0.43 1.42 -0.09 0.00 -1.52 0.00 0.00 31.29 31.53 1wj4 h VAL 70 CO 0.02 0.16 0.40 0.11 0.02 0.00 0.00 177.57 178.28 1wj4 h LYS 71 N -0.53 0.57 0.09 1.57 1.57 0.37 0.66 116.57 120.86 1wj4 h LYS 71 Ca -0.02 -0.03 0.00 0.00 -1.87 0.00 0.00 60.65 58.73 1wj4 h LYS 71 Cb 0.42 -0.13 -0.02 0.00 0.08 0.00 0.00 32.23 32.58 1wj4 h LYS 71 CO 0.03 0.37 -0.27 1.25 -0.57 0.00 0.00 179.45 180.26 1wj4 h HIS 72 N 0.58 -0.79 -0.89 -1.35 2.76 -1.00 0.33 115.15 114.80 1wj4 h HIS 72 Ca 0.44 0.02 0.08 0.00 -2.20 0.00 0.00 60.37 58.71 1wj4 h HIS 72 Cb 0.61 0.33 -0.06 0.00 1.55 0.00 0.00 27.41 29.83 1wj4 h HIS 72 CO -0.11 -0.32 0.58 0.28 -1.30 0.00 0.00 177.93 177.06 1wj4 h VAL 73 N -0.41 1.01 -0.89 5.26 2.07 -1.01 0.22 116.25 122.50 1wj4 h VAL 73 Ca -0.01 -0.32 0.10 0.00 0.82 0.00 0.00 66.70 67.29 1wj4 h VAL 73 Cb 0.40 -0.01 -0.07 0.00 -1.52 0.00 0.00 31.29 30.10 1wj4 h VAL 73 CO -0.13 0.17 0.57 -0.61 0.02 0.00 0.00 177.57 177.59 1wj4 h GLN 74 N 0.93 0.83 0.00 1.57 4.15 0.14 0.07 115.11 122.81 1wj4 h GLN 74 Ca 0.40 -0.05 -0.21 0.00 0.77 0.00 0.00 58.65 59.56 1wj4 h GLN 74 Cb 0.32 -0.19 -0.03 0.00 0.21 0.00 0.00 27.48 27.79 1wj4 h GLN 74 CO -0.16 0.55 -1.08 0.77 -1.93 0.00 0.00 178.83 176.98 1wj4 h SER 75 N 0.86 0.00 -0.51 -0.69 0.02 0.19 -3.30 113.55 110.12 1wj4 h SER 75 Ca 0.42 0.00 0.05 0.00 -0.84 0.00 0.00 61.79 61.42 1wj4 h SER 75 Cb 0.45 0.00 -0.05 0.00 0.14 0.00 0.00 62.40 62.94 1wj4 h SER 75 CO -0.18 0.92 0.24 0.11 -1.14 0.00 0.00 176.83 176.78 1wj4 h LYS 76 N 0.00 0.45 0.00 3.45 1.79 0.12 -3.45 116.57 118.93 1wj4 h LYS 76 Ca -0.06 -0.03 0.00 0.00 -2.18 0.00 0.00 60.65 58.38 1wj4 h LYS 76 Cb 1.76 -0.10 0.00 0.00 -1.58 0.00 0.00 32.23 32.31 1wj4 h LYS 76 CO 0.11 0.30 0.00 0.41 -1.08 0.00 0.00 179.45 179.19 1wj4 n GLY 77 N -1.25 0.00 3.15 3.86 0.00 -0.64 -5.09 105.19 105.22 1wj4 n GLY 77 Ca 0.05 0.00 0.04 0.00 0.00 0.00 0.00 46.02 46.11 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 0.00 -1.70 0.02 1.61 1.51 -1.05 -5.04 117.35 112.71 1wj4 s TYR 78 Ca 0.00 1.13 -0.30 0.00 -1.01 0.00 0.00 57.07 56.88 1wj4 s TYR 78 Cb 0.00 0.34 -0.05 0.00 -0.11 0.00 0.00 41.96 42.15 1wj4 s TYR 78 CO 0.00 -0.98 1.18 -1.25 -1.11 0.00 0.00 175.55 173.39 1wj4 s PRO 79 N 2.85 4.42 0.18 -1.71 0.04 -1.26 -3.33 135.00 136.18 1wj4 s PRO 79 Ca 0.13 1.71 -0.26 0.00 0.04 0.00 0.00 61.00 62.62 1wj4 s PRO 79 Cb -0.10 -3.43 0.04 0.00 0.04 0.00 0.00 34.50 31.05 1wj4 s PRO 79 CO -0.25 -0.30 1.55 -0.97 0.04 0.00 0.00 177.00 177.06 1wj4 h ASN 80 N 7.03 -1.88 -1.10 6.66 -1.24 -1.91 1.53 115.58 124.68 1wj4 h ASN 80 Ca -0.39 0.32 0.41 0.00 0.71 0.00 0.00 56.30 57.35 1wj4 h ASN 80 Cb 1.20 0.87 -0.14 0.00 0.73 0.00 0.00 38.32 40.98 1wj4 h ASN 80 CO 0.83 -0.26 0.67 -1.84 -1.29 0.00 0.00 177.43 175.54 1wj4 n GLU 81 N -5.34 -0.04 0.00 6.67 0.28 -1.26 -2.80 120.64 118.15 1wj4 n GLU 81 Ca 0.05 1.19 0.00 0.00 -0.16 0.00 0.00 57.16 58.23 1wj4 n GLU 81 Cb 0.31 -2.25 0.00 0.00 1.43 0.00 0.00 31.44 30.94 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 -4.75 0.00 -3.11 3.44 1.74 0.50 -4.46 116.66 110.01 1wj4 n ARG 82 Ca 0.36 0.00 -0.34 0.00 -0.77 0.00 0.00 57.85 57.09 1wj4 n ARG 82 Cb 1.31 -0.22 -0.06 0.00 -1.02 0.00 0.00 32.46 32.47 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 0.00 3.52 0.26 -1.55 0.40 0.42 -0.97 117.98 120.06 1wj4 s PHE 83 Ca 0.00 1.31 0.11 0.00 -0.60 0.00 0.00 56.93 57.76 1wj4 s PHE 83 Cb 0.00 -2.58 -0.05 0.00 0.51 0.00 0.00 43.02 40.90 1wj4 s PHE 83 CO 0.00 0.22 -0.18 -1.83 0.70 0.00 0.00 175.22 174.13 1wj4 s GLU 84 N -2.45 1.74 -0.14 0.44 -1.05 0.50 -3.54 118.70 114.21 1wj4 s GLU 84 Ca 0.48 -1.67 -0.05 0.00 -0.15 0.00 0.00 54.97 53.59 1wj4 s GLU 84 Cb -0.14 -1.85 -0.04 0.00 -0.44 0.00 0.00 34.13 31.67 1wj4 s GLU 84 CO 0.19 0.35 0.04 -0.51 0.95 0.00 0.00 175.26 176.28 1wj4 s LEU 85 N -3.36 3.73 0.43 1.83 1.02 -1.26 0.24 118.68 121.31 1wj4 s LEU 85 Ca 0.28 0.12 0.05 0.00 0.02 0.00 0.00 54.13 54.60 1wj4 s LEU 85 Cb -0.06 -1.90 -0.05 0.00 0.02 0.00 0.00 46.19 44.19 1wj4 s LEU 85 CO 0.15 0.27 0.02 -0.76 0.02 0.00 0.00 176.35 176.04 1wj4 s LEU 86 N -0.20 2.58 0.51 1.79 1.43 0.24 0.81 118.68 125.84 1wj4 s LEU 86 Ca 0.07 -1.48 0.04 0.00 -1.03 0.00 0.00 54.13 51.73 1wj4 s LEU 86 Cb -0.12 -0.76 0.00 0.00 0.03 0.00 0.00 46.19 45.34 1wj4 s LEU 86 CO 0.02 -0.62 0.20 0.42 0.23 0.00 0.00 176.35 176.60 1wj4 s THR 87 N -2.85 1.54 1.07 5.49 -4.23 -0.35 0.42 115.64 116.73 1wj4 s THR 87 Ca 0.25 -1.74 -0.17 0.00 -1.18 0.00 0.00 61.69 58.86 1wj4 s THR 87 Cb 0.07 -2.28 0.23 0.00 1.34 0.00 0.00 72.50 71.86 1wj4 s THR 87 CO 0.13 0.00 1.18 0.21 -0.54 0.00 0.00 174.62 175.60 1wj4 s ASN 88 N -4.05 2.15 0.11 3.99 3.84 -1.09 -4.22 114.94 115.65 1wj4 s ASN 88 Ca 0.23 0.59 -0.18 0.00 0.21 0.00 0.00 52.86 53.70 1wj4 s ASN 88 Cb 0.00 -0.84 -0.11 0.00 -0.55 0.00 0.00 41.25 39.75 1wj4 s ASN 88 CO 0.14 -3.36 0.37 2.22 -2.79 0.00 0.00 177.10 173.68 1wj4 n PHE 89 N -4.24 -0.21 -0.03 0.43 -1.74 -1.26 -2.98 117.46 107.43 1wj4 n PHE 89 Ca 0.12 0.61 -0.15 0.00 -0.56 0.00 0.00 57.45 57.47 1wj4 n PHE 89 Cb 0.59 -1.23 -0.11 0.00 1.52 0.00 0.00 39.48 40.25 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 0.80 0.20 0.00 3.97 0.13 -2.05 -3.47 132.00 131.57 1wj4 h PRO 90 Ca -0.19 -0.19 0.00 0.00 -0.87 0.00 0.00 66.00 64.74 1wj4 h PRO 90 Cb 0.89 0.05 0.00 0.00 0.13 0.00 0.00 31.00 32.07 1wj4 h PRO 90 CO 0.36 0.90 0.00 0.54 -0.23 0.00 0.00 178.00 179.57 1wj4 n ARG 91 N -4.50 0.00 -4.87 0.86 5.12 -1.16 -5.06 116.66 107.04 1wj4 n ARG 91 Ca -0.09 0.00 -0.33 0.00 -1.93 0.00 0.00 57.85 55.50 1wj4 n ARG 91 Cb 0.49 0.00 -0.14 0.00 -1.16 0.00 0.00 32.46 31.65 1wj4 n ARG 91 CO 0.00 0.00 0.00 1.03 -1.93 0.00 0.00 177.63 176.73 1wj4 s ARG 92 N 0.00 3.04 -0.29 5.56 0.52 -1.26 -4.94 118.95 121.58 1wj4 s ARG 92 Ca 0.00 -0.71 -0.27 0.00 -0.52 0.00 0.00 55.73 54.22 1wj4 s ARG 92 Cb 0.00 -2.50 0.01 0.00 0.52 0.00 0.00 34.95 32.98 1wj4 s ARG 92 CO 0.00 0.35 0.98 0.15 0.02 0.00 0.00 175.30 176.80 1wj4 s LYS 93 N -0.02 4.09 -0.78 3.54 1.02 -1.26 -1.21 119.74 125.12 1wj4 s LYS 93 Ca -0.04 1.01 -0.25 0.00 0.02 0.00 0.00 55.97 56.71 1wj4 s LYS 93 Cb -0.14 -3.71 0.05 0.00 -0.52 0.00 0.00 37.83 33.51 1wj4 s LYS 93 CO 0.04 -0.76 1.25 -0.51 -0.92 0.00 0.00 175.35 174.45 1wj4 s LEU 94 N 3.32 3.53 0.00 3.17 1.43 0.24 -3.80 118.68 126.58 1wj4 s LEU 94 Ca 0.41 -0.80 0.00 0.00 -1.03 0.00 0.00 54.13 52.71 1wj4 s LEU 94 Cb -0.13 -2.53 0.00 0.00 0.03 0.00 0.00 46.19 43.56 1wj4 s LEU 94 CO 0.12 -1.67 0.00 -0.24 0.23 0.00 0.00 176.35 174.79 1wj4 n SER 95 N 8.86 0.00 0.21 2.29 2.88 -1.26 -4.16 113.62 122.43 1wj4 n SER 95 Ca 0.08 0.00 0.14 0.00 -1.33 0.00 0.00 58.87 57.77 1wj4 n SER 95 Cb 0.49 0.00 0.52 0.00 -0.75 0.00 0.00 64.21 64.47 1wj4 n SER 95 CO 0.00 0.00 0.00 1.12 -1.23 0.00 0.00 175.04 174.93 1wj4 h HIS 96 N 0.00 0.00 0.00 0.66 2.07 -1.99 -3.36 115.15 112.54 1wj4 h HIS 96 Ca 0.00 0.00 0.00 0.00 -2.85 0.00 0.00 60.37 57.52 1wj4 h HIS 96 Cb 0.00 0.00 0.00 0.00 2.57 0.00 0.00 27.41 29.98 1wj4 h HIS 96 CO 0.00 0.00 0.00 1.28 -3.07 0.00 0.00 177.93 176.14 1wj4 n LEU 97 N -2.74 0.00 0.00 6.12 7.99 -1.26 -4.92 117.00 122.19 1wj4 n LEU 97 Ca 0.02 0.22 0.00 0.00 -0.01 0.00 0.00 56.01 56.24 1wj4 n LEU 97 Cb 0.33 0.00 0.00 0.00 -0.11 0.00 0.00 43.42 43.64 1wj4 n LEU 97 CO 0.26 0.00 0.00 0.47 -1.51 0.00 0.00 177.39 176.61 1wj4 n ASP 98 N -0.39 0.00 0.00 -1.43 9.92 -1.26 -4.98 116.55 118.41 1wj4 n ASP 98 Ca 0.00 0.00 0.00 0.00 -0.53 0.00 0.00 54.79 54.26 1wj4 n ASP 98 Cb 0.00 0.00 0.00 0.00 -0.64 0.00 0.00 41.12 40.48 1wj4 n ASP 98 CO 0.00 0.00 0.00 -1.22 0.13 0.00 0.00 177.20 176.11 1wj4 n TYR 99 N 0.00 0.00 0.26 1.24 4.02 -1.26 -4.33 117.16 117.09 1wj4 n TYR 99 Ca 0.00 0.00 0.15 0.00 -0.01 0.00 0.00 57.90 58.04 1wj4 n TYR 99 Cb 0.00 0.00 0.69 0.00 -0.02 0.00 0.00 39.34 40.01 1wj4 n TYR 99 CO 0.00 0.00 0.00 0.22 -1.01 0.00 0.00 176.86 176.07 1wj4 h ASP 100 N 0.00 0.00 0.00 7.72 3.58 -1.94 -2.27 116.42 123.51 1wj4 h ASP 100 Ca 0.00 0.00 0.00 0.00 0.42 0.00 0.00 57.03 57.45 1wj4 h ASP 100 Cb 0.00 0.00 0.00 0.00 1.72 0.00 0.00 39.33 41.05 1wj4 h ASP 100 CO 0.00 0.00 0.00 2.30 -2.88 0.00 0.00 179.24 178.66 1wj4 n ILE 101 N -3.05 0.00 -4.31 2.25 -5.35 -1.26 -4.82 119.36 102.82 1wj4 n ILE 101 Ca 0.01 0.00 -0.21 0.00 -0.27 0.00 0.00 62.75 62.28 1wj4 n ILE 101 Cb 0.56 -1.02 -0.11 0.00 -1.74 0.00 0.00 39.64 37.32 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 0.00 1.72 0.60 7.28 -4.23 -1.26 -3.55 115.64 116.20 1wj4 s THR 102 Ca 0.00 -1.86 0.31 0.00 -1.18 0.00 0.00 61.69 58.96 1wj4 s THR 102 Cb 0.00 -1.77 0.45 0.00 1.34 0.00 0.00 72.50 72.52 1wj4 s THR 102 CO 0.00 -0.32 1.43 -0.07 -0.54 0.00 0.00 174.62 175.12 1wj4 h LEU 103 N 3.34 0.00 0.19 4.79 4.07 -0.63 0.77 115.31 127.84 1wj4 h LEU 103 Ca -0.42 0.00 -0.01 0.00 0.08 0.00 0.00 57.88 57.53 1wj4 h LEU 103 Cb 1.20 0.00 0.00 0.00 1.08 0.00 0.00 40.66 42.94 1wj4 h LEU 103 CO 0.50 0.00 -0.09 -0.61 -1.08 0.00 0.00 178.44 177.16 1wj4 h GLN 104 N 0.00 -0.25 -0.64 1.13 4.15 -1.85 -1.43 115.11 116.23 1wj4 h GLN 104 Ca 0.53 0.02 0.13 0.00 0.77 0.00 0.00 58.65 60.10 1wj4 h GLN 104 Cb 2.84 0.06 -0.11 0.00 0.21 0.00 0.00 27.48 30.48 1wj4 h GLN 104 CO -0.01 0.07 0.01 0.93 -1.93 0.00 0.00 178.83 177.90 1wj4 h GLU 105 N -0.98 0.12 -0.08 1.69 5.08 0.16 1.29 114.58 121.87 1wj4 h GLU 105 Ca -0.03 -0.01 0.02 0.00 -1.00 0.00 0.00 59.36 58.35 1wj4 h GLU 105 Cb 0.43 -0.03 -0.00 0.00 0.50 0.00 0.00 28.75 29.65 1wj4 h GLU 105 CO 0.04 0.08 0.34 0.00 -1.00 0.00 0.00 179.01 178.48 1wj4 h ALA 106 N 1.58 1.48 0.00 3.43 0.00 -1.33 -3.44 119.26 120.98 1wj4 h ALA 106 Ca 0.34 -0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.24 1wj4 h ALA 106 Cb 0.55 0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.35 1wj4 h ALA 106 CO -0.54 -0.38 0.00 0.41 0.00 0.00 0.00 179.25 178.73 1wj4 n GLY 107 N -1.27 0.59 0.08 0.00 0.00 0.44 -4.97 105.19 100.05 1wj4 n GLY 107 Ca -0.00 -0.80 -0.12 0.00 0.00 0.00 0.00 46.02 45.10 1wj4 n GLY 107 CO 0.00 0.00 0.00 1.41 0.00 0.00 0.00 173.32 174.73 1wj4 h LEU 108 N 0.00 0.00 -9.31 0.99 3.38 -1.38 -3.47 115.31 105.51 1wj4 h LEU 108 Ca 0.00 -0.37 -0.59 0.00 0.09 0.00 0.00 57.88 57.01 1wj4 h LEU 108 Cb 0.24 0.00 0.17 0.00 0.09 0.00 0.00 40.66 41.15 1wj4 h LEU 108 CO 0.00 1.02 -0.61 0.00 0.09 0.00 0.00 178.44 178.94 1wj4 h PRO 110 N 0.33 -0.15 -5.02 0.00 0.13 -1.93 -3.47 132.00 121.89 1wj4 h PRO 110 Ca -0.43 0.01 -0.65 0.00 -0.87 0.00 0.00 66.00 64.07 1wj4 h PRO 110 Cb 1.41 0.03 -0.34 0.00 0.13 0.00 0.00 31.00 32.23 1wj4 h PRO 110 CO 0.47 0.30 -0.86 -0.65 -0.23 0.00 0.00 178.00 177.04 1wj4 s GLN 111 N -2.95 2.76 0.19 0.86 1.11 -1.23 -2.53 119.66 117.87 1wj4 s GLN 111 Ca -0.12 -0.76 0.06 0.00 0.01 0.00 0.00 55.36 54.56 1wj4 s GLN 111 Cb -0.00 -2.30 -0.05 0.00 -1.01 0.00 0.00 33.01 29.65 1wj4 s GLN 111 CO 0.44 -0.08 -0.12 -2.00 0.01 0.00 0.00 175.29 173.54 1wj4 s GLU 112 N 1.00 1.26 -0.34 2.91 2.56 -0.37 -4.98 118.70 120.74 1wj4 s GLU 112 Ca -0.04 -1.57 -0.08 0.00 0.00 0.00 0.00 54.97 53.29 1wj4 s GLU 112 Cb -0.15 -0.95 0.03 0.00 2.00 0.00 0.00 34.13 35.07 1wj4 s GLU 112 CO -0.05 0.13 0.14 0.99 -0.56 0.00 0.00 175.26 175.91 1wj4 s THR 113 N -3.11 4.11 0.29 -1.70 2.01 -1.26 -1.48 115.64 114.50 1wj4 s THR 113 Ca 0.21 -0.94 -0.13 0.00 0.31 0.00 0.00 61.69 61.15 1wj4 s THR 113 Cb 0.01 -3.27 -0.08 0.00 0.01 0.00 0.00 72.50 69.17 1wj4 s THR 113 CO 0.05 -0.14 0.67 -0.69 -0.69 0.00 0.00 174.62 173.82 1wj4 s VAL 114 N 1.48 4.78 -0.18 3.82 1.01 0.57 -2.67 120.40 129.20 1wj4 s VAL 114 Ca 0.00 0.76 -0.05 0.00 0.00 0.00 0.00 61.98 62.70 1wj4 s VAL 114 Cb -0.19 -3.61 0.07 0.00 0.00 0.00 0.00 36.38 32.65 1wj4 s VAL 114 CO 0.04 -0.15 0.12 -0.36 0.00 0.00 0.00 175.10 174.75 1wj4 s PHE 115 N -1.93 0.08 -0.42 5.22 0.08 0.17 -1.14 117.98 120.04 1wj4 s PHE 115 Ca 0.52 -0.20 -0.29 0.00 0.12 0.00 0.00 56.93 57.07 1wj4 s PHE 115 Cb -0.11 -0.62 0.01 0.00 -0.57 0.00 0.00 43.02 41.74 1wj4 s PHE 115 CO 0.19 -0.54 1.33 0.08 -0.10 0.00 0.00 175.22 176.18 1wj4 s VAL 116 N 2.18 4.00 0.13 -0.44 1.01 0.11 0.81 120.40 128.21 1wj4 s VAL 116 Ca 0.03 1.03 0.10 0.00 0.00 0.00 0.00 61.98 63.14 1wj4 s VAL 116 Cb -0.16 -4.31 -0.04 0.00 0.00 0.00 0.00 36.38 31.87 1wj4 s VAL 116 CO -0.11 -0.81 -0.22 -1.58 0.00 0.00 0.00 175.10 172.39 1wj4 s GLN 117 N 4.76 1.62 -0.10 2.72 0.74 0.67 -2.98 119.66 127.09 1wj4 s GLN 117 Ca 0.57 -1.29 -0.29 0.00 0.05 0.00 0.00 55.36 54.40 1wj4 s GLN 117 Cb -0.12 -2.00 -0.06 0.00 1.10 0.00 0.00 33.01 31.93 1wj4 s GLN 117 CO 0.32 0.46 1.81 -1.21 -0.55 0.00 0.00 175.29 176.11 1wj4 s GLU 118 N -2.20 3.91 0.82 1.67 2.02 -1.26 0.19 118.70 123.86 1wj4 s GLU 118 Ca 0.17 2.13 -0.11 0.00 0.02 0.00 0.00 54.97 57.19 1wj4 s GLU 118 Cb -0.10 -4.10 0.12 0.00 0.10 0.00 0.00 34.13 30.15 1wj4 s GLU 118 CO 0.09 -1.18 1.16 0.45 0.02 0.00 0.00 175.26 175.80 1wj4 s SER 119 N 4.58 4.10 0.00 -0.19 0.15 -0.14 -4.80 113.70 117.40 1wj4 s SER 119 Ca 0.81 0.38 0.00 0.00 0.70 0.00 0.00 55.95 57.84 1wj4 s SER 119 Cb -0.33 -0.75 0.00 0.00 -1.71 0.00 0.00 66.02 63.22 1wj4 s SER 119 CO 0.33 -2.10 0.00 0.61 1.20 0.00 0.00 173.24 173.28 1wj4 n GLY 120 N -3.31 1.21 3.77 9.45 0.00 -1.26 -4.85 105.19 110.20 1wj4 n GLY 120 Ca 0.11 -1.55 -0.39 0.00 0.00 0.00 0.00 46.02 44.19 1wj4 n GLY 120 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 1wj4 s PRO 121 N 1.36 4.49 0.04 1.61 0.04 -1.26 -4.86 135.00 136.42 1wj4 s PRO 121 Ca 0.00 1.68 -0.01 0.00 0.04 0.00 0.00 61.00 62.71 1wj4 s PRO 121 Cb 0.00 -2.97 -0.01 0.00 0.04 0.00 0.00 34.50 31.56 1wj4 s PRO 121 CO 0.00 0.11 -0.03 0.43 0.04 0.00 0.00 177.00 177.56 1wj4 n SER 122 N 0.78 0.82 -4.90 6.66 7.64 -1.26 -5.06 113.62 118.29 1wj4 n SER 122 Ca 0.01 0.11 -0.29 0.00 1.01 0.00 0.00 58.87 59.71 1wj4 n SER 122 Cb 0.47 -0.26 -0.03 0.00 -1.01 0.00 0.00 64.21 63.37 1wj4 n SER 122 CO 0.00 0.00 0.00 -0.94 -3.01 0.00 0.00 175.04 171.09 1wj4 s SER 123 N -5.71 6.47 0.00 6.43 1.04 -1.26 -5.18 113.70 115.49 1wj4 s SER 123 Ca -0.03 0.78 0.00 0.00 0.48 0.00 0.00 55.95 57.19 1wj4 s SER 123 Cb 0.01 -2.17 0.00 0.00 0.10 0.00 0.00 66.02 63.95 1wj4 s SER 123 CO 0.04 -0.21 0.00 0.61 0.98 0.00 0.00 173.24 174.65