#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 -0.04 0.29 1.61 1.04 -1.26 -5.19 113.70 110.16 1wj4 s SER 2 Ca 0.00 -0.12 -0.20 0.00 0.48 0.00 0.00 55.95 56.11 1wj4 s SER 2 Cb 0.00 0.13 0.02 0.00 0.10 0.00 0.00 66.02 66.27 1wj4 s SER 2 CO 0.00 -0.24 0.72 -0.94 0.98 0.00 0.00 173.24 173.76 1wj4 s SER 3 N -3.11 -0.21 0.00 7.02 1.04 -1.26 -5.19 113.70 111.99 1wj4 s SER 3 Ca 0.17 -0.70 0.00 0.00 0.48 0.00 0.00 55.95 55.90 1wj4 s SER 3 Cb 0.05 0.74 0.00 0.00 0.10 0.00 0.00 66.02 66.91 1wj4 s SER 3 CO -0.04 -1.39 0.00 0.61 0.98 0.00 0.00 173.24 173.40 1wj4 n GLY 4 N -0.47 4.87 3.66 7.32 0.00 -1.26 -5.19 105.19 114.12 1wj4 n GLY 4 Ca -0.05 -1.44 0.03 0.00 0.00 0.00 0.00 46.02 44.56 1wj4 n GLY 4 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1wj4 s SER 5 N 0.64 -0.02 0.32 1.61 0.01 -1.26 -5.19 113.70 109.80 1wj4 s SER 5 Ca 0.00 -0.08 -0.19 0.00 1.31 0.00 0.00 55.95 56.99 1wj4 s SER 5 Cb 0.00 0.08 0.04 0.00 0.21 0.00 0.00 66.02 66.35 1wj4 s SER 5 CO 0.00 -0.15 0.76 -0.44 0.41 0.00 0.00 173.24 173.82 1wj4 s SER 6 N -3.15 -0.14 0.20 2.44 0.01 -1.26 -5.19 113.70 106.61 1wj4 s SER 6 Ca 0.17 -0.82 -0.11 0.00 1.31 0.00 0.00 55.95 56.50 1wj4 s SER 6 Cb 0.05 0.77 0.04 0.00 0.21 0.00 0.00 66.02 67.09 1wj4 s SER 6 CO -0.05 -1.47 0.56 0.61 0.41 0.00 0.00 173.24 173.31 1wj4 n GLY 7 N -0.49 1.15 3.64 3.44 0.00 -1.26 -5.19 105.19 106.48 1wj4 n GLY 7 Ca -0.06 -1.13 -0.02 0.00 0.00 0.00 0.00 46.02 44.82 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 -2.36 0.00 -0.14 2.61 -1.32 -1.26 -5.18 115.64 107.99 1wj4 s THR 8 Ca 0.12 -0.28 -0.30 0.00 -1.21 0.00 0.00 61.69 60.01 1wj4 s THR 8 Cb -0.03 -1.71 0.12 0.00 -1.51 0.00 0.00 72.50 69.37 1wj4 s THR 8 CO 0.06 0.00 0.94 0.00 -2.21 0.00 0.00 174.62 173.41 1wj4 s ALA 9 N -2.74 -1.90 0.32 11.08 0.00 -1.26 -5.19 121.76 122.08 1wj4 s ALA 9 Ca 0.12 1.53 0.00 0.00 0.00 0.00 0.00 51.96 53.61 1wj4 s ALA 9 Cb 0.01 -0.57 -0.00 0.00 0.00 0.00 0.00 23.12 22.56 1wj4 s ALA 9 CO -0.03 -0.32 0.00 0.25 0.00 0.00 0.00 175.76 175.66 1wj4 n THR 10 N 0.75 0.00 -3.67 0.00 -2.24 -1.26 -5.17 114.28 102.70 1wj4 n THR 10 Ca -0.12 -1.54 -0.02 0.00 -2.27 0.00 0.00 64.05 60.10 1wj4 n THR 10 Cb 0.58 0.32 -0.01 0.00 -2.10 0.00 0.00 70.33 69.11 1wj4 n THR 10 CO 0.00 0.00 0.00 0.54 -0.57 0.00 0.00 175.07 175.04 1wj4 s ASN 11 N -2.79 -0.16 0.05 3.42 4.22 -1.26 -5.19 114.94 113.24 1wj4 s ASN 11 Ca 0.00 -0.24 -0.27 0.00 -2.14 0.00 0.00 52.86 50.22 1wj4 s ASN 11 Cb 0.00 0.34 0.09 0.00 1.28 0.00 0.00 41.25 42.96 1wj4 s ASN 11 CO 0.00 -0.62 1.19 -2.28 -2.04 0.00 0.00 177.10 173.36 1wj4 s HIS 12 N -2.91 0.02 0.00 1.54 2.46 -1.26 -5.19 115.29 109.95 1wj4 s HIS 12 Ca 0.12 -0.23 0.00 0.00 0.47 0.00 0.00 55.06 55.42 1wj4 s HIS 12 Cb 0.01 0.60 0.00 0.00 -0.13 0.00 0.00 32.58 33.06 1wj4 s HIS 12 CO -0.02 -0.50 0.00 1.04 -2.47 0.00 0.00 174.74 172.80 1wj4 n GLN 13 N -0.74 -1.57 0.00 2.88 1.13 -1.26 -5.19 117.38 112.64 1wj4 n GLN 13 Ca -0.01 0.00 0.00 0.00 -1.94 0.00 0.00 57.00 55.05 1wj4 n GLN 13 Cb 0.60 0.00 0.00 0.00 0.11 0.00 0.00 30.24 30.95 1wj4 n GLN 13 CO 0.00 0.00 0.00 0.41 -1.44 0.00 0.00 177.06 176.03 1wj4 n GLY 14 N -0.08 3.85 3.61 1.08 0.00 -1.26 -5.16 105.19 107.23 1wj4 n GLY 14 Ca 0.00 -1.57 -0.11 0.00 0.00 0.00 0.00 46.02 44.35 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 0.00 -0.45 0.00 0.99 1.43 -1.26 -5.18 118.68 114.21 1wj4 s LEU 15 Ca 0.00 0.72 -0.09 0.00 -1.03 0.00 0.00 54.13 53.73 1wj4 s LEU 15 Cb 0.00 1.95 0.13 0.00 0.03 0.00 0.00 46.19 48.30 1wj4 s LEU 15 CO 0.00 -0.26 0.60 -0.81 0.23 0.00 0.00 176.35 176.11 1wj4 n PRO 16 N 1.60 -1.35 -2.68 1.29 -0.04 -1.26 -5.05 135.00 127.52 1wj4 n PRO 16 Ca -0.12 -0.94 -0.05 0.00 -0.04 0.00 0.00 63.50 62.34 1wj4 n PRO 16 Cb 0.57 -0.74 0.05 0.00 -0.04 0.00 0.00 33.50 33.34 1wj4 n PRO 16 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 1wj4 n ALA 17 N -3.67 -0.99 -2.74 0.55 0.00 -1.26 -5.14 120.51 107.27 1wj4 n ALA 17 Ca -0.10 -0.82 -0.34 0.00 0.00 0.00 0.00 53.44 52.17 1wj4 n ALA 17 Cb 0.29 -1.21 -0.11 0.00 0.00 0.00 0.00 19.45 18.42 1wj4 n ALA 17 CO 0.00 0.00 0.00 0.08 0.00 0.00 0.00 177.50 177.58 1wj4 s VAL 18 N 0.11 3.95 0.38 0.00 1.01 -1.26 -5.12 120.40 119.47 1wj4 s VAL 18 Ca 0.13 -0.37 0.07 0.00 0.00 0.00 0.00 61.98 61.82 1wj4 s VAL 18 Cb 0.22 -2.67 -0.02 0.00 0.00 0.00 0.00 36.38 33.92 1wj4 s VAL 18 CO -0.06 0.56 0.40 -0.62 0.00 0.00 0.00 175.10 175.38 1wj4 s ASP 19 N -0.42 5.38 0.26 3.32 2.15 -1.26 -5.14 116.67 120.96 1wj4 s ASP 19 Ca 0.07 -0.52 0.09 0.00 0.43 0.00 0.00 52.55 52.62 1wj4 s ASP 19 Cb -0.12 -0.81 -0.05 0.00 -0.30 0.00 0.00 42.92 41.63 1wj4 s ASP 19 CO 0.02 -0.55 -0.14 -0.44 -0.17 0.00 0.00 175.17 173.89 1wj4 s SER 20 N -4.13 3.12 0.09 -0.34 0.01 -1.26 -5.08 113.70 106.11 1wj4 s SER 20 Ca 0.47 -1.08 0.00 0.00 1.31 0.00 0.00 55.95 56.65 1wj4 s SER 20 Cb -0.06 -0.23 0.00 0.00 0.21 0.00 0.00 66.02 65.94 1wj4 s SER 20 CO 0.29 -0.13 0.00 -0.62 0.41 0.00 0.00 173.24 173.19 1wj4 n GLU 21 N -0.55 0.00 -2.25 12.44 1.02 -1.26 -5.04 120.64 125.00 1wj4 n GLU 21 Ca -0.06 0.00 -0.42 0.00 -0.02 0.00 0.00 57.16 56.66 1wj4 n GLU 21 Cb 0.61 -0.30 -0.03 0.00 -0.02 0.00 0.00 31.44 31.70 1wj4 n GLU 21 CO 0.00 0.00 0.00 0.42 1.18 0.00 0.00 177.13 178.73 1wj4 s ILE 22 N -1.72 3.43 -0.27 -3.67 1.01 -1.26 -4.99 121.20 113.73 1wj4 s ILE 22 Ca 0.00 1.08 -0.00 0.00 0.00 0.00 0.00 60.65 61.73 1wj4 s ILE 22 Cb 0.00 -3.69 0.15 0.00 0.01 0.00 0.00 42.46 38.93 1wj4 s ILE 22 CO 0.00 0.11 0.41 -0.76 0.00 0.00 0.00 174.94 174.70 1wj4 s LEU 23 N 0.64 -0.76 -0.49 2.97 1.43 -1.26 -5.07 118.68 116.14 1wj4 s LEU 23 Ca 0.60 -0.06 0.06 0.00 -1.03 0.00 0.00 54.13 53.70 1wj4 s LEU 23 Cb -0.35 1.17 0.20 0.00 0.03 0.00 0.00 46.19 47.25 1wj4 s LEU 23 CO 0.33 -0.33 0.71 -0.62 0.23 0.00 0.00 176.35 176.67 1wj4 n GLU 24 N 5.36 0.57 -3.90 1.70 1.02 -1.26 -5.09 120.64 119.04 1wj4 n GLU 24 Ca -0.01 -2.19 -0.30 0.00 -0.02 0.00 0.00 57.16 54.64 1wj4 n GLU 24 Cb 0.50 -1.48 -0.14 0.00 -0.02 0.00 0.00 31.44 30.30 1wj4 n GLU 24 CO 0.00 0.00 0.00 -1.64 1.18 0.00 0.00 177.13 176.67 1wj4 s MET 25 N 0.58 1.57 0.54 3.49 -1.94 -1.26 -5.11 119.30 117.17 1wj4 s MET 25 Ca 0.31 -2.13 -0.18 0.00 -1.71 0.00 0.00 55.69 51.99 1wj4 s MET 25 Cb 0.08 -2.96 -0.06 0.00 2.01 0.00 0.00 34.83 33.90 1wj4 s MET 25 CO -0.13 -1.06 1.04 -1.25 -0.01 0.00 0.00 175.02 173.62 1wj4 s PRO 26 N 0.38 3.59 0.00 2.03 0.04 -1.26 -5.06 135.00 134.71 1wj4 s PRO 26 Ca 0.15 1.26 0.00 0.00 0.04 0.00 0.00 61.00 62.45 1wj4 s PRO 26 Cb -0.23 -2.07 0.00 0.00 0.04 0.00 0.00 34.50 32.24 1wj4 s PRO 26 CO -0.05 -0.60 0.00 -0.35 0.04 0.00 0.00 177.00 176.05 1wj4 n PRO 27 N -1.50 0.37 -3.66 0.56 -0.04 -1.26 -5.11 135.00 124.36 1wj4 n PRO 27 Ca 0.09 0.00 -0.14 0.00 -0.04 0.00 0.00 63.50 63.40 1wj4 n PRO 27 Cb 0.53 0.00 -0.08 0.00 -0.04 0.00 0.00 33.50 33.91 1wj4 n PRO 27 CO 0.00 0.00 0.00 -2.00 -0.04 0.00 0.00 175.50 173.46 1wj4 s GLU 28 N -1.25 0.74 0.29 0.54 2.56 -1.26 -5.17 118.70 115.15 1wj4 s GLU 28 Ca 0.00 0.57 -0.18 0.00 0.00 0.00 0.00 54.97 55.36 1wj4 s GLU 28 Cb 0.00 0.35 0.02 0.00 2.00 0.00 0.00 34.13 36.50 1wj4 s GLU 28 CO 0.00 -0.14 0.67 -1.59 -0.56 0.00 0.00 175.26 173.64 1wj4 s LYS 29 N -0.19 1.80 0.00 4.30 0.00 -1.26 -5.17 119.74 119.22 1wj4 s LYS 29 Ca -0.04 -1.11 0.00 0.00 0.00 0.00 0.00 55.97 54.82 1wj4 s LYS 29 Cb -0.03 0.58 0.00 0.00 0.00 0.00 0.00 37.83 38.38 1wj4 s LYS 29 CO 0.03 -0.81 0.00 0.00 0.00 0.00 0.00 175.35 174.57 1wj4 n ALA 30 N -0.45 0.00 0.00 0.59 0.00 -1.26 -5.19 120.51 114.20 1wj4 n ALA 30 Ca -0.04 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.40 1wj4 n ALA 30 Cb 0.60 0.00 0.00 0.00 0.00 0.00 0.00 19.45 20.05 1wj4 n ALA 30 CO 0.00 0.00 0.00 -3.47 0.00 0.00 0.00 177.50 174.03 1wj4 n ASP 31 N 0.00 0.00 0.00 0.00 -0.08 -1.26 -5.18 116.55 110.03 1wj4 n ASP 31 Ca 0.00 0.00 0.00 0.00 -1.51 0.00 0.00 54.79 53.28 1wj4 n ASP 31 Cb 0.00 0.00 0.00 0.00 2.34 0.00 0.00 41.12 43.46 1wj4 n ASP 31 CO 0.00 0.00 0.00 0.61 0.12 0.00 0.00 177.20 177.93 1wj4 n GLY 32 N -0.14 1.89 3.30 0.27 0.00 -1.26 -5.10 105.19 104.16 1wj4 n GLY 32 Ca 0.00 0.04 -0.46 0.00 0.00 0.00 0.00 46.02 45.61 1wj4 n GLY 32 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1wj4 s VAL 33 N -0.87 5.33 -0.07 1.61 1.01 -1.26 -4.97 120.40 121.18 1wj4 s VAL 33 Ca 0.00 -2.45 -0.32 0.00 0.00 0.00 0.00 61.98 59.21 1wj4 s VAL 33 Cb 0.00 -4.32 0.13 0.00 0.00 0.00 0.00 36.38 32.18 1wj4 s VAL 33 CO 0.00 -1.00 1.25 0.54 0.00 0.00 0.00 175.10 175.90 1wj4 s VAL 34 N 0.26 0.00 -0.19 2.92 0.11 -1.26 -5.11 120.40 117.13 1wj4 s VAL 34 Ca 0.16 -0.16 -0.09 0.00 -2.93 0.00 0.00 61.98 58.97 1wj4 s VAL 34 Cb -0.13 -1.66 0.03 0.00 -1.53 0.00 0.00 36.38 33.09 1wj4 s VAL 34 CO -0.07 0.00 0.18 1.21 -3.33 0.00 0.00 175.10 173.08 1wj4 n GLU 35 N -0.35 -3.90 -2.26 1.54 2.13 -1.26 -4.81 120.64 111.72 1wj4 n GLU 35 Ca -0.05 3.02 -0.38 0.00 0.66 0.00 0.00 57.16 60.40 1wj4 n GLU 35 Cb 0.61 -4.69 -0.03 0.00 0.27 0.00 0.00 31.44 27.60 1wj4 n GLU 35 CO 0.00 0.00 0.00 0.20 -0.41 0.00 0.00 177.13 176.92 1wj4 s GLY 36 N -0.78 0.52 -0.82 8.31 0.00 -1.26 -4.89 107.32 108.40 1wj4 s GLY 36 Ca -0.20 -1.12 -0.25 0.00 0.00 0.00 0.00 44.72 43.15 1wj4 s GLY 36 CO 0.71 3.10 2.38 0.29 0.00 0.00 0.00 173.10 179.57 1wj4 n ILE 37 N 6.96 0.00 0.00 0.90 -5.35 -1.26 -4.60 119.36 116.00 1wj4 n ILE 37 Ca 0.17 -0.47 0.00 0.00 -0.27 0.00 0.00 62.75 62.18 1wj4 n ILE 37 Cb 0.50 -1.85 0.00 0.00 -1.74 0.00 0.00 39.64 36.55 1wj4 n ILE 37 CO 0.00 0.00 0.00 -0.67 -1.76 0.00 0.00 176.55 174.12 1wj4 n ASP 38 N 17.90 0.00 -4.77 7.28 2.03 -1.26 -5.14 116.55 132.58 1wj4 n ASP 38 Ca 0.48 0.00 -0.23 0.00 0.52 0.00 0.00 54.79 55.56 1wj4 n ASP 38 Cb 0.41 0.00 -0.05 0.00 -0.72 0.00 0.00 41.12 40.76 1wj4 n ASP 38 CO 0.00 0.00 0.00 -0.69 -1.92 0.00 0.00 177.20 174.59 1wj4 s VAL 39 N 0.00 4.22 -0.38 5.18 1.01 -1.26 -5.09 120.40 124.07 1wj4 s VAL 39 Ca 0.00 -1.45 -0.01 0.00 0.00 0.00 0.00 61.98 60.52 1wj4 s VAL 39 Cb 0.00 -3.24 0.19 0.00 0.00 0.00 0.00 36.38 33.32 1wj4 s VAL 39 CO 0.00 -0.30 0.86 0.21 0.00 0.00 0.00 175.10 175.87 1wj4 s ASN 40 N -3.63 -0.90 0.00 3.32 3.84 -1.26 -5.12 114.94 111.19 1wj4 s ASN 40 Ca 0.32 -0.59 0.00 0.00 0.21 0.00 0.00 52.86 52.80 1wj4 s ASN 40 Cb -0.08 1.15 0.00 0.00 -0.55 0.00 0.00 41.25 41.77 1wj4 s ASN 40 CO 0.23 -0.08 0.00 0.61 -2.79 0.00 0.00 177.10 175.07 1wj4 n GLY 41 N 3.75 -0.39 0.00 1.21 0.00 -1.26 -5.16 105.19 103.34 1wj4 n GLY 41 Ca 0.10 0.35 0.00 0.00 0.00 0.00 0.00 46.02 46.47 1wj4 n GLY 41 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 1wj4 n PRO 42 N 0.00 0.25 -1.15 1.61 -0.04 -1.26 -4.96 135.00 129.45 1wj4 n PRO 42 Ca 0.00 0.00 0.14 0.00 -0.04 0.00 0.00 63.50 63.60 1wj4 n PRO 42 Cb 0.00 0.00 -0.07 0.00 -0.04 0.00 0.00 33.50 33.39 1wj4 n PRO 42 CO 0.00 0.00 0.00 1.17 -0.04 0.00 0.00 175.50 176.63 1wj4 n LYS 43 N -0.62 -2.64 -3.59 0.54 4.81 -1.26 -4.81 118.16 110.59 1wj4 n LYS 43 Ca 0.00 2.14 -0.37 0.00 -0.87 0.00 0.00 58.31 59.21 1wj4 n LYS 43 Cb 0.00 -3.10 -0.10 0.00 0.02 0.00 0.00 35.03 31.86 1wj4 n LYS 43 CO 0.00 0.00 0.00 0.00 1.17 0.00 0.00 177.40 178.57 1wj4 s ALA 44 N -3.91 3.58 0.01 3.14 0.00 0.57 -4.90 121.76 120.24 1wj4 s ALA 44 Ca 0.00 -0.91 -0.15 0.00 0.00 0.00 0.00 51.96 50.90 1wj4 s ALA 44 Cb 0.00 -2.43 -0.06 0.00 0.00 0.00 0.00 23.12 20.63 1wj4 s ALA 44 CO 0.00 -0.35 0.42 -0.65 0.00 0.00 0.00 175.76 175.17 1wj4 s GLN 45 N 1.39 3.93 -0.01 0.00 -0.21 -1.01 0.61 119.66 124.34 1wj4 s GLN 45 Ca 0.09 0.42 -0.03 0.00 0.02 0.00 0.00 55.36 55.86 1wj4 s GLN 45 Cb -0.15 -3.21 0.00 0.00 1.00 0.00 0.00 33.01 30.65 1wj4 s GLN 45 CO 0.07 0.69 0.07 -0.51 -2.12 0.00 0.00 175.29 173.49 1wj4 s LEU 46 N -1.11 1.76 -0.20 2.90 1.43 0.48 -1.86 118.68 122.09 1wj4 s LEU 46 Ca 0.24 -0.03 -0.05 0.00 -1.03 0.00 0.00 54.13 53.27 1wj4 s LEU 46 Cb -0.17 0.33 -0.02 0.00 0.03 0.00 0.00 46.19 46.36 1wj4 s LEU 46 CO 0.14 -0.15 -0.02 -0.32 0.23 0.00 0.00 176.35 176.24 1wj4 s MET 47 N -0.52 3.56 -0.40 1.70 -2.45 -1.05 -0.16 119.30 119.98 1wj4 s MET 47 Ca -0.06 -0.55 -0.19 0.00 -1.25 0.00 0.00 55.69 53.64 1wj4 s MET 47 Cb -0.04 -3.04 0.01 0.00 1.25 0.00 0.00 34.83 33.02 1wj4 s MET 47 CO 0.00 -0.01 0.55 -0.51 1.05 0.00 0.00 175.02 176.10 1wj4 s LEU 48 N 1.04 4.54 -0.53 4.11 1.43 0.53 0.22 118.68 130.01 1wj4 s LEU 48 Ca 0.01 -0.31 -0.08 0.00 -1.03 0.00 0.00 54.13 52.73 1wj4 s LEU 48 Cb -0.14 -2.59 0.14 0.00 0.03 0.00 0.00 46.19 43.62 1wj4 s LEU 48 CO 0.01 -0.62 0.39 -0.13 0.23 0.00 0.00 176.35 176.23 1wj4 s ARG 49 N 2.50 2.56 0.62 1.70 1.81 -0.32 0.18 118.95 127.99 1wj4 s ARG 49 Ca 0.19 -1.99 -0.15 0.00 -1.72 0.00 0.00 55.73 52.05 1wj4 s ARG 49 Cb -0.15 -3.90 -0.02 0.00 -0.45 0.00 0.00 34.95 30.42 1wj4 s ARG 49 CO 0.16 -1.19 1.08 0.71 -0.68 0.00 0.00 175.30 175.37 1wj4 s TYR 50 N 0.94 2.86 -0.96 -0.53 2.02 0.90 -0.43 117.35 122.15 1wj4 s TYR 50 Ca 0.09 1.52 0.22 0.00 -0.37 0.00 0.00 57.07 58.54 1wj4 s TYR 50 Cb -0.23 -3.06 0.93 0.00 -0.40 0.00 0.00 41.96 39.19 1wj4 s TYR 50 CO -0.03 -1.32 1.70 -0.35 -1.57 0.00 0.00 175.55 173.99 1wj4 n PRO 51 N -2.19 0.03 0.00 -1.71 -0.04 -1.18 -2.43 135.00 127.48 1wj4 n PRO 51 Ca 0.09 0.15 0.10 0.00 -0.04 0.00 0.00 63.50 63.80 1wj4 n PRO 51 Cb 0.53 -1.54 0.49 0.00 -0.04 0.00 0.00 33.50 32.94 1wj4 n PRO 51 CO 0.00 0.00 0.00 -0.25 -0.04 0.00 0.00 175.50 175.21 1wj4 n ASP 52 N -1.58 0.00 0.00 3.54 9.92 -1.26 -4.83 116.55 122.34 1wj4 n ASP 52 Ca 0.05 0.11 0.00 0.00 -0.53 0.00 0.00 54.79 54.42 1wj4 n ASP 52 Cb 0.26 -0.33 0.00 0.00 -0.64 0.00 0.00 41.12 40.41 1wj4 n ASP 52 CO 0.00 0.00 0.00 0.61 0.13 0.00 0.00 177.20 177.94 1wj4 n GLY 53 N 0.46 2.40 3.95 0.44 0.00 -1.02 -5.06 105.19 106.37 1wj4 n GLY 53 Ca 0.09 0.00 -0.23 0.00 0.00 0.00 0.00 46.02 45.88 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 -0.92 3.05 0.28 1.61 1.02 -1.25 -4.91 119.74 118.62 1wj4 s LYS 54 Ca 0.00 -0.51 0.03 0.00 0.02 0.00 0.00 55.97 55.51 1wj4 s LYS 54 Cb 0.00 -2.56 -0.01 0.00 -0.52 0.00 0.00 37.83 34.74 1wj4 s LYS 54 CO 0.00 -0.27 0.31 2.89 -0.92 0.00 0.00 175.35 177.36 1wj4 n ARG 55 N -2.07 0.45 -3.58 1.68 1.85 -1.26 -0.07 116.66 113.67 1wj4 n ARG 55 Ca 0.02 -2.54 -0.01 0.00 -1.00 0.00 0.00 57.85 54.31 1wj4 n ARG 55 Cb 0.58 2.25 -0.06 0.00 -1.05 0.00 0.00 32.46 34.18 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 -2.90 0.39 -0.12 2.89 2.12 0.47 -4.92 118.70 116.62 1wj4 s GLU 56 Ca 0.29 0.76 -0.13 0.00 0.36 0.00 0.00 54.97 56.24 1wj4 s GLU 56 Cb 0.00 0.23 -0.05 0.00 0.26 0.00 0.00 34.13 34.57 1wj4 s GLU 56 CO 0.20 -0.10 0.30 -1.14 -0.54 0.00 0.00 175.26 173.99 1wj4 s GLN 57 N 1.76 4.09 0.12 4.30 0.74 -1.26 0.20 119.66 129.60 1wj4 s GLN 57 Ca -0.07 0.14 0.03 0.00 0.05 0.00 0.00 55.36 55.51 1wj4 s GLN 57 Cb -0.05 -3.36 -0.04 0.00 1.10 0.00 0.00 33.01 30.66 1wj4 s GLN 57 CO -0.16 0.39 -0.08 0.96 -0.55 0.00 0.00 175.29 175.85 1wj4 s ILE 58 N -0.01 0.90 -0.18 -2.34 -4.36 0.77 -4.96 121.20 111.02 1wj4 s ILE 58 Ca 0.18 -1.92 0.01 0.00 -0.26 0.00 0.00 60.65 58.66 1wj4 s ILE 58 Cb -0.14 -1.68 0.03 0.00 1.25 0.00 0.00 42.46 41.93 1wj4 s ILE 58 CO 0.06 -0.77 -0.16 -0.89 0.24 0.00 0.00 174.94 173.41 1wj4 s THR 59 N -3.29 1.88 0.20 8.37 2.01 -1.26 -0.39 115.64 123.15 1wj4 s THR 59 Ca 0.12 -0.91 0.08 0.00 0.31 0.00 0.00 61.69 61.30 1wj4 s THR 59 Cb 0.03 -1.76 -0.05 0.00 0.01 0.00 0.00 72.50 70.73 1wj4 s THR 59 CO -0.02 0.43 -0.16 -0.76 -0.69 0.00 0.00 174.62 173.42 1wj4 s LEU 60 N 1.35 2.52 0.21 4.42 1.43 0.20 -4.90 118.68 123.91 1wj4 s LEU 60 Ca 0.03 -0.97 -0.30 0.00 -1.03 0.00 0.00 54.13 51.86 1wj4 s LEU 60 Cb -0.14 -0.76 -0.08 0.00 0.03 0.00 0.00 46.19 45.24 1wj4 s LEU 60 CO -0.11 -0.11 1.10 -2.16 0.23 0.00 0.00 176.35 175.30 1wj4 s PRO 61 N -3.36 4.61 0.28 1.29 0.04 -1.26 0.21 135.00 136.81 1wj4 s PRO 61 Ca 0.21 1.75 0.03 0.00 0.04 0.00 0.00 61.00 63.03 1wj4 s PRO 61 Cb -0.03 -3.24 0.66 0.00 0.04 0.00 0.00 34.50 31.93 1wj4 s PRO 61 CO 0.08 0.12 1.74 0.93 0.04 0.00 0.00 177.00 179.91 1wj4 h GLU 62 N 4.65 0.55 0.00 4.56 5.08 -1.90 1.56 114.58 129.08 1wj4 h GLU 62 Ca -0.45 -0.03 0.00 0.00 -1.00 0.00 0.00 59.36 57.88 1wj4 h GLU 62 Cb 1.21 -0.12 0.00 0.00 0.50 0.00 0.00 28.75 30.34 1wj4 h GLU 62 CO 0.71 0.36 0.00 0.00 -1.00 0.00 0.00 179.01 179.08 1wj4 n GLN 63 N -4.91 0.02 -1.96 2.33 10.64 -1.26 0.19 117.38 122.42 1wj4 n GLN 63 Ca 0.21 0.31 -0.41 0.00 -1.83 0.00 0.00 57.00 55.27 1wj4 n GLN 63 Cb 0.56 -1.50 -0.02 0.00 -0.86 0.00 0.00 30.24 28.42 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 -2.94 3.63 0.13 2.61 0.00 0.53 -4.59 121.76 121.13 1wj4 s ALA 64 Ca 0.06 1.39 -0.31 0.00 0.00 0.00 0.00 51.96 53.10 1wj4 s ALA 64 Cb 0.07 -3.57 -0.08 0.00 0.00 0.00 0.00 23.12 19.54 1wj4 s ALA 64 CO 0.18 -0.81 1.33 0.15 0.00 0.00 0.00 175.76 176.61 1wj4 s LYS 65 N -0.79 4.37 0.39 0.00 1.02 -1.25 0.11 119.74 123.59 1wj4 s LYS 65 Ca 0.58 2.00 0.25 0.00 0.02 0.00 0.00 55.97 58.82 1wj4 s LYS 65 Cb -0.43 -3.25 1.39 0.00 -0.52 0.00 0.00 37.83 35.02 1wj4 s LYS 65 CO 0.48 -0.34 1.56 -0.11 -0.92 0.00 0.00 175.35 176.02 1wj4 n LEU 66 N 3.55 0.29 -0.35 3.17 -0.00 -1.01 0.34 117.00 122.98 1wj4 n LEU 66 Ca 0.09 1.54 0.10 0.00 -0.00 0.00 0.00 56.01 57.75 1wj4 n LEU 66 Cb 0.43 -0.75 0.28 0.00 -0.00 0.00 0.00 43.42 43.38 1wj4 n LEU 66 CO 0.58 -1.71 1.20 -0.07 -0.00 0.00 0.00 177.39 177.39 1wj4 h LEU 67 N 0.00 0.82 -0.68 -1.96 3.38 -1.89 0.01 115.31 114.99 1wj4 h LEU 67 Ca 0.85 0.08 0.13 0.00 0.09 0.00 0.00 57.88 59.03 1wj4 h LEU 67 Cb 2.46 -0.08 -0.13 0.00 0.09 0.00 0.00 40.66 43.00 1wj4 h LEU 67 CO -0.65 0.36 -0.26 0.00 0.09 0.00 0.00 178.44 177.98 1wj4 h ALA 68 N 1.60 0.24 -0.42 1.53 0.00 0.53 2.62 119.26 125.36 1wj4 h ALA 68 Ca 0.54 0.23 -0.09 0.00 0.00 0.00 0.00 54.91 55.59 1wj4 h ALA 68 Cb 0.71 0.67 -0.01 0.00 0.00 0.00 0.00 17.79 19.16 1wj4 h ALA 68 CO -0.33 -0.54 -0.08 1.25 0.00 0.00 0.00 179.25 179.55 1wj4 h LEU 69 N -0.07 0.79 -0.45 0.00 5.85 -1.12 -1.15 115.31 119.17 1wj4 h LEU 69 Ca 0.30 -0.35 0.02 0.00 0.84 0.00 0.00 57.88 58.69 1wj4 h LEU 69 Cb 0.54 -0.22 -0.03 0.00 0.37 0.00 0.00 40.66 41.33 1wj4 h LEU 69 CO -0.73 0.96 0.26 0.58 -0.34 0.00 0.00 178.44 179.17 1wj4 h VAL 70 N 0.61 1.04 -0.78 1.05 2.07 0.90 -1.69 116.25 119.46 1wj4 h VAL 70 Ca 0.11 -0.18 0.01 0.00 0.82 0.00 0.00 66.70 67.45 1wj4 h VAL 70 Cb 0.60 0.47 -0.04 0.00 -1.52 0.00 0.00 31.29 30.79 1wj4 h VAL 70 CO 0.04 0.10 0.51 0.11 0.02 0.00 0.00 177.57 178.34 1wj4 h LYS 71 N 0.53 1.03 -0.07 1.57 1.57 0.45 0.14 116.57 121.79 1wj4 h LYS 71 Ca 0.18 -0.07 0.01 0.00 -1.87 0.00 0.00 60.65 58.91 1wj4 h LYS 71 Cb 0.02 -0.23 -0.03 0.00 0.08 0.00 0.00 32.23 32.07 1wj4 h LYS 71 CO -0.09 0.69 -0.21 1.25 -0.57 0.00 0.00 179.45 180.52 1wj4 h HIS 72 N 1.06 -0.63 -0.97 -1.35 2.76 -0.29 -0.22 115.15 115.50 1wj4 h HIS 72 Ca 0.28 0.03 0.07 0.00 -2.20 0.00 0.00 60.37 58.55 1wj4 h HIS 72 Cb -0.11 0.29 -0.07 0.00 1.55 0.00 0.00 27.41 29.07 1wj4 h HIS 72 CO -0.02 -0.21 0.63 0.28 -1.30 0.00 0.00 177.93 177.31 1wj4 h VAL 73 N -0.21 1.05 -1.02 5.26 2.07 -1.31 -0.29 116.25 121.80 1wj4 h VAL 73 Ca 0.01 -0.37 0.29 0.00 0.82 0.00 0.00 66.70 67.45 1wj4 h VAL 73 Cb 0.26 -0.14 -0.13 0.00 -1.52 0.00 0.00 31.29 29.76 1wj4 h VAL 73 CO -0.18 0.20 0.60 -0.61 0.02 0.00 0.00 177.57 177.60 1wj4 h GLN 74 N 1.09 0.43 0.08 1.57 4.15 0.83 0.50 115.11 123.76 1wj4 h GLN 74 Ca 0.43 -0.03 -0.28 0.00 0.77 0.00 0.00 58.65 59.54 1wj4 h GLN 74 Cb 0.24 -0.10 -0.01 0.00 0.21 0.00 0.00 27.48 27.82 1wj4 h GLN 74 CO -0.18 0.28 -1.39 0.77 -1.93 0.00 0.00 178.83 176.39 1wj4 h SER 75 N 0.44 0.28 -0.27 -0.69 0.02 0.53 -3.21 113.55 110.65 1wj4 h SER 75 Ca 0.69 -0.36 0.08 0.00 -0.84 0.00 0.00 61.79 61.35 1wj4 h SER 75 Cb 1.49 -0.09 -0.01 0.00 0.14 0.00 0.00 62.40 63.92 1wj4 h SER 75 CO -0.51 1.30 0.54 0.11 -1.14 0.00 0.00 176.83 177.12 1wj4 h LYS 76 N 0.05 0.00 0.00 3.45 1.79 0.12 -3.42 116.57 118.56 1wj4 h LYS 76 Ca -0.18 0.00 0.00 0.00 -2.18 0.00 0.00 60.65 58.29 1wj4 h LYS 76 Cb 1.96 0.00 0.00 0.00 -1.58 0.00 0.00 32.23 32.61 1wj4 h LYS 76 CO 0.15 0.00 0.00 0.41 -1.08 0.00 0.00 179.45 178.93 1wj4 n GLY 77 N -1.41 1.23 2.94 3.86 0.00 -0.81 -5.08 105.19 105.92 1wj4 n GLY 77 Ca 0.05 0.00 -0.08 0.00 0.00 0.00 0.00 46.02 45.99 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 -2.00 -1.10 0.24 1.61 1.51 -1.04 -5.04 117.35 111.53 1wj4 s TYR 78 Ca 0.00 0.35 -0.30 0.00 -1.01 0.00 0.00 57.07 56.11 1wj4 s TYR 78 Cb 0.00 -0.10 -0.09 0.00 -0.11 0.00 0.00 41.96 41.66 1wj4 s TYR 78 CO 0.00 -1.00 1.09 -1.25 -1.11 0.00 0.00 175.55 173.28 1wj4 s PRO 79 N 2.50 4.64 0.18 -1.71 0.04 -1.26 -3.12 135.00 136.26 1wj4 s PRO 79 Ca 0.10 1.76 -0.18 0.00 0.04 0.00 0.00 61.00 62.73 1wj4 s PRO 79 Cb -0.12 -3.22 0.12 0.00 0.04 0.00 0.00 34.50 31.31 1wj4 s PRO 79 CO -0.28 0.18 1.64 -0.97 0.04 0.00 0.00 177.00 177.61 1wj4 h ASN 80 N 4.29 -0.59 -1.20 6.66 -1.24 -1.89 0.70 115.58 122.30 1wj4 h ASN 80 Ca -0.46 0.15 0.35 0.00 0.71 0.00 0.00 56.30 57.05 1wj4 h ASN 80 Cb 1.21 0.34 -0.05 0.00 0.73 0.00 0.00 38.32 40.55 1wj4 h ASN 80 CO 0.69 -0.20 1.09 1.05 -1.29 0.00 0.00 177.43 178.76 1wj4 h GLU 81 N -0.08 0.00 0.00 6.67 4.11 -1.99 -3.17 114.58 120.12 1wj4 h GLU 81 Ca 0.21 0.00 0.00 0.00 0.07 0.00 0.00 59.36 59.64 1wj4 h GLU 81 Cb 0.40 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.65 1wj4 h GLU 81 CO -0.49 0.00 0.00 0.54 0.07 0.00 0.00 179.01 179.13 1wj4 n ARG 82 N -3.65 0.00 -3.18 1.06 1.74 0.19 -4.87 116.66 107.95 1wj4 n ARG 82 Ca 0.27 0.00 -0.39 0.00 -0.77 0.00 0.00 57.85 56.96 1wj4 n ARG 82 Cb 1.46 0.00 -0.06 0.00 -1.02 0.00 0.00 32.46 32.85 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 3.72 0.23 -1.55 0.40 0.15 0.87 117.98 121.79 1wj4 s PHE 83 Ca 0.00 1.26 0.08 0.00 -0.60 0.00 0.00 56.93 57.67 1wj4 s PHE 83 Cb 0.00 -2.62 -0.04 0.00 0.51 0.00 0.00 43.02 40.87 1wj4 s PHE 83 CO 0.00 0.38 0.03 -1.83 0.70 0.00 0.00 175.22 174.51 1wj4 s GLU 84 N -0.34 2.45 -0.18 0.44 -1.05 0.54 -3.46 118.70 117.10 1wj4 s GLU 84 Ca 0.32 -1.23 -0.07 0.00 -0.15 0.00 0.00 54.97 53.83 1wj4 s GLU 84 Cb -0.19 -2.31 -0.04 0.00 -0.44 0.00 0.00 34.13 31.15 1wj4 s GLU 84 CO 0.18 0.41 0.05 -0.51 0.95 0.00 0.00 175.26 176.34 1wj4 s LEU 85 N -3.43 3.72 0.45 1.83 1.02 -1.26 0.13 118.68 121.15 1wj4 s LEU 85 Ca 0.30 0.04 0.06 0.00 0.02 0.00 0.00 54.13 54.55 1wj4 s LEU 85 Cb -0.08 -1.94 -0.03 0.00 0.02 0.00 0.00 46.19 44.16 1wj4 s LEU 85 CO 0.20 0.16 0.19 -0.76 0.02 0.00 0.00 176.35 176.17 1wj4 s LEU 86 N 0.44 2.90 0.15 1.79 1.43 0.21 0.13 118.68 125.73 1wj4 s LEU 86 Ca 0.02 -1.21 0.09 0.00 -1.03 0.00 0.00 54.13 52.01 1wj4 s LEU 86 Cb -0.13 -1.26 -0.04 0.00 0.03 0.00 0.00 46.19 44.79 1wj4 s LEU 86 CO 0.01 -0.70 -0.17 0.42 0.23 0.00 0.00 176.35 176.13 1wj4 s THR 87 N -2.68 2.83 0.65 5.49 -4.23 -1.13 -0.78 115.64 115.78 1wj4 s THR 87 Ca 0.34 -1.64 -0.17 0.00 -1.18 0.00 0.00 61.69 59.04 1wj4 s THR 87 Cb 0.02 -2.33 -0.06 0.00 1.34 0.00 0.00 72.50 71.48 1wj4 s THR 87 CO 0.19 0.01 0.58 -3.20 -0.54 0.00 0.00 174.62 171.67 1wj4 n ASN 88 N 0.53 -0.89 -4.02 3.99 2.85 -0.77 -3.71 115.26 113.24 1wj4 n ASN 88 Ca -0.14 0.67 -0.54 0.00 -0.11 0.00 0.00 54.58 54.46 1wj4 n ASN 88 Cb 0.54 -1.22 -0.08 0.00 1.24 0.00 0.00 39.78 40.26 1wj4 n ASN 88 CO 0.00 0.00 0.00 2.22 -2.11 0.00 0.00 177.26 177.37 1wj4 n PHE 89 N -2.03 0.86 -1.63 1.20 -1.74 -1.26 -4.07 117.46 108.79 1wj4 n PHE 89 Ca 0.11 0.96 -0.31 0.00 -0.56 0.00 0.00 57.45 57.65 1wj4 n PHE 89 Cb 0.49 -1.88 0.04 0.00 1.52 0.00 0.00 39.48 39.66 1wj4 n PHE 89 CO 0.00 0.00 0.00 -1.25 -0.56 0.00 0.00 176.76 174.95 1wj4 s PRO 90 N 0.81 2.99 0.45 3.97 0.04 -1.26 -5.13 135.00 136.86 1wj4 s PRO 90 Ca 0.84 0.98 -0.20 0.00 0.04 0.00 0.00 61.00 62.65 1wj4 s PRO 90 Cb -1.18 -2.00 -0.10 0.00 0.04 0.00 0.00 34.50 31.26 1wj4 s PRO 90 CO 0.57 -1.06 0.97 -0.98 0.04 0.00 0.00 177.00 176.54 1wj4 s ARG 91 N -4.94 4.10 -0.30 4.56 1.04 -1.24 -4.62 118.95 117.56 1wj4 s ARG 91 Ca 0.59 1.17 -0.12 0.00 -1.04 0.00 0.00 55.73 56.32 1wj4 s ARG 91 Cb -0.14 -2.16 0.12 0.00 -2.04 0.00 0.00 34.95 30.74 1wj4 s ARG 91 CO 0.53 -0.14 0.70 0.50 -0.04 0.00 0.00 175.30 176.84 1wj4 s ARG 92 N -3.26 0.58 -0.35 3.89 3.52 -1.25 -4.89 118.95 117.19 1wj4 s ARG 92 Ca 0.63 1.32 -0.28 0.00 -0.13 0.00 0.00 55.73 57.27 1wj4 s ARG 92 Cb -0.11 0.66 -0.03 0.00 -1.56 0.00 0.00 34.95 33.91 1wj4 s ARG 92 CO 0.16 -0.18 1.97 0.15 -0.81 0.00 0.00 175.30 176.59 1wj4 s LYS 93 N 2.55 3.08 -0.89 5.12 1.02 -1.26 -2.85 119.74 126.50 1wj4 s LYS 93 Ca -0.07 1.48 -0.24 0.00 0.02 0.00 0.00 55.97 57.16 1wj4 s LYS 93 Cb -0.10 -4.30 0.01 0.00 -0.52 0.00 0.00 37.83 32.92 1wj4 s LYS 93 CO -0.19 -2.16 1.62 -0.51 -0.92 0.00 0.00 175.35 173.19 1wj4 s LEU 94 N 8.01 3.32 0.00 3.17 1.43 0.34 -3.71 118.68 131.25 1wj4 s LEU 94 Ca 0.85 -0.86 0.00 0.00 -1.03 0.00 0.00 54.13 53.09 1wj4 s LEU 94 Cb -0.23 -2.56 0.00 0.00 0.03 0.00 0.00 46.19 43.43 1wj4 s LEU 94 CO 0.32 -2.03 0.00 -0.24 0.23 0.00 0.00 176.35 174.63 1wj4 n SER 95 N 10.91 0.00 0.33 2.29 2.88 -1.26 -4.37 113.62 124.41 1wj4 n SER 95 Ca 0.29 0.00 0.20 0.00 -1.33 0.00 0.00 58.87 58.03 1wj4 n SER 95 Cb 0.50 0.16 1.08 0.00 -0.75 0.00 0.00 64.21 65.19 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 -2.00 -3.18 115.15 112.70 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 -2.99 0.00 0.00 6.12 7.99 -1.26 -4.90 117.00 121.96 1wj4 n LEU 97 Ca -0.03 0.46 0.00 0.00 -0.01 0.00 0.00 56.01 56.43 1wj4 n LEU 97 Cb 0.17 0.00 0.00 0.00 -0.11 0.00 0.00 43.42 43.48 1wj4 n LEU 97 CO 0.18 0.00 0.00 0.47 -1.51 0.00 0.00 177.39 176.53 1wj4 n ASP 98 N -0.88 0.00 0.00 -1.43 8.00 -1.20 -4.98 116.55 116.06 1wj4 n ASP 98 Ca 0.00 0.00 0.00 0.00 0.71 0.00 0.00 54.79 55.50 1wj4 n ASP 98 Cb 0.00 0.00 0.00 0.00 -0.02 0.00 0.00 41.12 41.10 1wj4 n ASP 98 CO 0.00 0.00 0.00 -1.22 -0.39 0.00 0.00 177.20 175.59 1wj4 n TYR 99 N 0.00 0.00 0.31 1.24 4.01 -1.26 -4.34 117.16 117.11 1wj4 n TYR 99 Ca 0.00 0.00 0.11 0.00 -0.16 0.00 0.00 57.90 57.85 1wj4 n TYR 99 Cb 0.00 0.00 0.56 0.00 -0.31 0.00 0.00 39.34 39.59 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 0.00 7.72 3.58 -1.94 -2.69 116.42 123.09 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 -2.82 0.00 -4.44 2.25 -5.35 -1.26 -4.89 119.36 102.85 1wj4 n ILE 101 Ca -0.00 0.00 -0.22 0.00 -0.27 0.00 0.00 62.75 62.26 1wj4 n ILE 101 Cb 0.61 -0.97 -0.10 0.00 -1.74 0.00 0.00 39.64 37.44 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 2.03 0.63 7.28 -4.23 -1.26 -3.89 115.64 116.21 1wj4 s THR 102 Ca 0.00 -2.25 0.24 0.00 -1.18 0.00 0.00 61.69 58.50 1wj4 s THR 102 Cb 0.00 -2.33 0.29 0.00 1.34 0.00 0.00 72.50 71.81 1wj4 s THR 102 CO 0.00 -0.40 1.67 -0.07 -0.54 0.00 0.00 174.62 175.28 1wj4 h LEU 103 N 2.31 0.00 0.06 4.79 4.07 0.95 0.97 115.31 128.46 1wj4 h LEU 103 Ca -0.40 0.00 -0.00 0.00 0.08 0.00 0.00 57.88 57.56 1wj4 h LEU 103 Cb 1.24 0.00 0.00 0.00 1.08 0.00 0.00 40.66 42.98 1wj4 h LEU 103 CO 0.64 0.00 -0.03 -0.61 -1.08 0.00 0.00 178.44 177.36 1wj4 h GLN 104 N 0.00 -0.08 -0.59 1.13 4.15 -1.80 0.16 115.11 118.08 1wj4 h GLN 104 Ca 0.15 0.01 0.12 0.00 0.77 0.00 0.00 58.65 59.69 1wj4 h GLN 104 Cb 1.41 0.02 -0.11 0.00 0.21 0.00 0.00 27.48 29.00 1wj4 h GLN 104 CO -0.00 0.14 -0.19 0.93 -1.93 0.00 0.00 178.83 177.78 1wj4 h GLU 105 N -1.01 -0.04 0.00 1.69 5.08 -1.18 1.69 114.58 120.81 1wj4 h GLU 105 Ca -0.01 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.35 1wj4 h GLU 105 Cb 0.26 0.01 0.00 0.00 0.50 0.00 0.00 28.75 29.52 1wj4 h GLU 105 CO 0.01 -0.03 0.27 0.00 -1.00 0.00 0.00 179.01 178.26 1wj4 h ALA 106 N 1.46 1.25 -1.57 3.43 0.00 -1.37 -3.45 119.26 119.02 1wj4 h ALA 106 Ca 0.28 0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.19 1wj4 h ALA 106 Cb 0.47 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.26 1wj4 h ALA 106 CO -0.63 -0.25 0.00 0.41 0.00 0.00 0.00 179.25 178.78 1wj4 n GLY 107 N -1.21 0.66 0.15 0.00 0.00 0.58 -4.99 105.19 100.37 1wj4 n GLY 107 Ca -0.02 -0.56 -0.10 0.00 0.00 0.00 0.00 46.02 45.33 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 -0.78 2.65 -4.75 0.99 4.77 -0.02 -4.97 117.00 114.88 1wj4 n LEU 108 Ca 0.00 -0.03 -0.37 0.00 -0.03 0.00 0.00 56.01 55.58 1wj4 n LEU 108 Cb 0.50 -0.46 0.04 0.00 -2.33 0.00 0.00 43.42 41.17 1wj4 n LEU 108 CO 0.00 0.65 0.88 0.00 -1.33 0.00 0.00 177.39 177.60 1wj4 h PRO 110 N 0.94 0.05 -5.08 0.00 0.13 -1.94 -3.47 132.00 122.64 1wj4 h PRO 110 Ca -0.51 -0.05 -0.55 0.00 -0.87 0.00 0.00 66.00 64.02 1wj4 h PRO 110 Cb 1.31 0.01 -0.32 0.00 0.13 0.00 0.00 31.00 32.13 1wj4 h PRO 110 CO 0.55 0.79 -0.83 -0.65 -0.23 0.00 0.00 178.00 177.63 1wj4 s GLN 111 N -3.24 1.79 -0.04 0.86 1.11 -1.12 -2.41 119.66 116.60 1wj4 s GLN 111 Ca -0.17 -0.56 -0.06 0.00 0.01 0.00 0.00 55.36 54.58 1wj4 s GLN 111 Cb -0.00 -1.52 0.01 0.00 -1.01 0.00 0.00 33.01 30.49 1wj4 s GLN 111 CO 0.70 0.18 0.15 -2.00 0.01 0.00 0.00 175.29 174.33 1wj4 s GLU 112 N 0.21 0.26 -0.35 2.91 2.56 -0.78 -4.99 118.70 118.53 1wj4 s GLU 112 Ca -0.07 0.06 -0.24 0.00 0.00 0.00 0.00 54.97 54.72 1wj4 s GLU 112 Cb -0.13 0.12 0.01 0.00 2.00 0.00 0.00 34.13 36.13 1wj4 s GLU 112 CO 0.03 -0.04 0.81 0.99 -0.56 0.00 0.00 175.26 176.49 1wj4 s THR 113 N -0.28 4.72 0.22 -1.70 2.01 -1.26 -2.53 115.64 116.81 1wj4 s THR 113 Ca -0.04 1.04 -0.14 0.00 0.31 0.00 0.00 61.69 62.87 1wj4 s THR 113 Cb -0.03 -4.22 -0.08 0.00 0.01 0.00 0.00 72.50 68.19 1wj4 s THR 113 CO 0.01 -0.40 0.62 -0.69 -0.69 0.00 0.00 174.62 173.47 1wj4 s VAL 114 N 3.13 4.79 -0.11 3.82 1.01 0.59 -1.84 120.40 131.79 1wj4 s VAL 114 Ca 0.33 0.83 -0.04 0.00 0.00 0.00 0.00 61.98 63.10 1wj4 s VAL 114 Cb -0.13 -3.69 0.05 0.00 0.00 0.00 0.00 36.38 32.60 1wj4 s VAL 114 CO 0.16 0.06 0.08 -0.36 0.00 0.00 0.00 175.10 175.04 1wj4 s PHE 115 N -1.69 0.11 -0.28 5.22 0.40 0.04 -1.17 117.98 120.62 1wj4 s PHE 115 Ca 0.45 -0.03 -0.26 0.00 -0.60 0.00 0.00 56.93 56.50 1wj4 s PHE 115 Cb -0.13 -0.58 0.00 0.00 0.51 0.00 0.00 43.02 42.82 1wj4 s PHE 115 CO 0.20 -0.37 0.89 0.08 0.70 0.00 0.00 175.22 176.72 1wj4 s VAL 116 N 2.16 4.73 0.19 -0.44 1.01 0.43 0.68 120.40 129.17 1wj4 s VAL 116 Ca 0.03 1.51 0.06 0.00 0.00 0.00 0.00 61.98 63.58 1wj4 s VAL 116 Cb -0.14 -4.21 -0.05 0.00 0.00 0.00 0.00 36.38 31.98 1wj4 s VAL 116 CO -0.06 -0.24 -0.11 0.00 0.00 0.00 0.00 175.10 174.69 1wj4 s GLN 117 N 3.10 1.26 -0.10 2.72 -2.07 0.34 -3.11 119.66 121.79 1wj4 s GLN 117 Ca 0.37 -1.56 -0.30 0.00 -1.82 0.00 0.00 55.36 52.05 1wj4 s GLN 117 Cb -0.14 -0.92 -0.03 0.00 -1.09 0.00 0.00 33.01 30.83 1wj4 s GLN 117 CO 0.11 0.12 1.41 -1.21 -1.32 0.00 0.00 175.29 174.39 1wj4 s GLU 118 N -3.70 4.22 -0.16 9.60 2.02 -1.26 0.20 118.70 129.63 1wj4 s GLU 118 Ca 0.21 1.88 -0.22 0.00 0.02 0.00 0.00 54.97 56.87 1wj4 s GLU 118 Cb 0.01 -3.81 -0.03 0.00 0.10 0.00 0.00 34.13 30.40 1wj4 s GLU 118 CO 0.05 -0.73 0.65 0.45 0.02 0.00 0.00 175.26 175.70 1wj4 s SER 119 N 2.42 6.79 0.00 -0.19 0.15 0.25 -4.80 113.70 118.32 1wj4 s SER 119 Ca 0.62 0.95 0.00 0.00 0.70 0.00 0.00 55.95 58.22 1wj4 s SER 119 Cb -0.27 -2.37 0.00 0.00 -1.71 0.00 0.00 66.02 61.67 1wj4 s SER 119 CO 0.21 -0.22 0.00 0.61 1.20 0.00 0.00 173.24 175.04 1wj4 n GLY 120 N 3.54 0.22 0.08 9.45 0.00 -1.26 -4.81 105.19 112.41 1wj4 n GLY 120 Ca -0.01 -1.74 -0.12 0.00 0.00 0.00 0.00 46.02 44.14 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 -0.05 -6.60 1.61 0.13 -2.01 -3.46 132.00 121.63 1wj4 h PRO 121 Ca 0.00 0.00 -0.68 0.00 -0.87 0.00 0.00 66.00 64.46 1wj4 h PRO 121 Cb 0.00 0.01 -0.19 0.00 0.13 0.00 0.00 31.00 30.95 1wj4 h PRO 121 CO 0.00 0.61 -0.78 -1.12 -0.23 0.00 0.00 178.00 176.48 1wj4 s SER 122 N -5.84 4.04 -0.03 1.44 0.01 -1.26 -5.13 113.70 106.92 1wj4 s SER 122 Ca -0.16 -0.44 0.02 0.00 1.31 0.00 0.00 55.95 56.69 1wj4 s SER 122 Cb -0.01 -0.68 0.01 0.00 0.21 0.00 0.00 66.02 65.55 1wj4 s SER 122 CO 0.60 0.21 -0.08 -0.55 0.41 0.00 0.00 173.24 173.84 1wj4 s SER 123 N -1.86 1.20 0.00 2.44 0.15 -1.26 -5.08 113.70 109.29 1wj4 s SER 123 Ca 0.18 -0.18 0.00 0.00 0.70 0.00 0.00 55.95 56.64 1wj4 s SER 123 Cb -0.11 -0.41 0.00 0.00 -1.71 0.00 0.00 66.02 63.79 1wj4 s SER 123 CO 0.09 0.03 0.00 0.61 1.20 0.00 0.00 173.24 175.17