#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1wj4 n SER 2 N 0.00 -5.21 0.00 1.61 2.88 -1.26 -5.09 113.62 106.55 1wj4 n SER 2 Ca 0.00 1.04 0.00 0.00 -1.33 0.00 0.00 58.87 58.58 1wj4 n SER 2 Cb 0.00 -3.14 0.00 0.00 -0.75 0.00 0.00 64.21 60.32 1wj4 n SER 2 CO 0.00 0.00 0.00 -0.24 -1.23 0.00 0.00 175.04 173.57 1wj4 n SER 3 N -3.09 0.00 0.00 -3.46 2.88 -1.26 -5.18 113.62 103.51 1wj4 n SER 3 Ca -0.04 0.00 0.00 0.00 -1.33 0.00 0.00 58.87 57.50 1wj4 n SER 3 Cb 0.40 0.00 0.00 0.00 -0.75 0.00 0.00 64.21 63.86 1wj4 n SER 3 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 1wj4 n GLY 4 N -0.09 3.56 3.50 0.46 0.00 -1.26 -5.19 105.19 106.16 1wj4 n GLY 4 Ca 0.00 -0.19 -0.12 0.00 0.00 0.00 0.00 46.02 45.71 1wj4 n GLY 4 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 1wj4 s SER 5 N 0.00 -0.48 0.02 1.61 1.04 -1.26 -5.18 113.70 109.44 1wj4 s SER 5 Ca 0.00 0.22 -0.28 0.00 0.48 0.00 0.00 55.95 56.37 1wj4 s SER 5 Cb 0.00 0.46 0.10 0.00 0.10 0.00 0.00 66.02 66.68 1wj4 s SER 5 CO 0.00 -0.67 0.84 -0.55 0.98 0.00 0.00 173.24 173.84 1wj4 s SER 6 N -2.05 -0.40 0.00 7.02 0.15 -1.26 -5.18 113.70 111.98 1wj4 s SER 6 Ca -0.01 0.01 0.00 0.00 0.70 0.00 0.00 55.95 56.66 1wj4 s SER 6 Cb -0.01 0.42 0.00 0.00 -1.71 0.00 0.00 66.02 64.72 1wj4 s SER 6 CO -0.04 -0.67 0.00 0.61 1.20 0.00 0.00 173.24 174.33 1wj4 n GLY 7 N -0.24 2.85 3.51 9.45 0.00 -1.26 -5.19 105.19 114.31 1wj4 n GLY 7 Ca -0.10 -0.90 -0.09 0.00 0.00 0.00 0.00 46.02 44.93 1wj4 n GLY 7 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1wj4 s THR 8 N -2.00 0.00 -0.30 2.61 2.01 -1.26 -5.18 115.64 111.52 1wj4 s THR 8 Ca 0.00 -0.05 -0.26 0.00 0.31 0.00 0.00 61.69 61.70 1wj4 s THR 8 Cb 0.00 -1.07 0.20 0.00 0.01 0.00 0.00 72.50 71.64 1wj4 s THR 8 CO 0.00 0.00 1.48 0.00 -0.69 0.00 0.00 174.62 175.41 1wj4 s ALA 9 N -3.24 -2.24 0.19 7.40 0.00 -1.26 -5.19 121.76 117.43 1wj4 s ALA 9 Ca 0.05 1.70 0.02 0.00 0.00 0.00 0.00 51.96 53.73 1wj4 s ALA 9 Cb -0.01 -1.79 -0.05 0.00 0.00 0.00 0.00 23.12 21.27 1wj4 s ALA 9 CO -0.09 -0.11 0.01 0.95 0.00 0.00 0.00 175.76 176.52 1wj4 s THR 10 N -0.17 0.76 -0.10 0.00 -4.23 -1.26 -5.16 115.64 105.48 1wj4 s THR 10 Ca 0.08 -2.00 -0.33 0.00 -1.18 0.00 0.00 61.69 58.27 1wj4 s THR 10 Cb -0.04 -2.21 0.14 0.00 1.34 0.00 0.00 72.50 71.72 1wj4 s THR 10 CO -0.15 -0.40 1.36 0.54 -0.54 0.00 0.00 174.62 175.43 1wj4 s ASN 11 N -3.22 -0.03 -0.20 3.99 4.22 -1.26 -5.19 114.94 113.25 1wj4 s ASN 11 Ca 0.26 -0.05 -0.31 0.00 -2.14 0.00 0.00 52.86 50.62 1wj4 s ASN 11 Cb 0.06 0.07 0.15 0.00 1.28 0.00 0.00 41.25 42.81 1wj4 s ASN 11 CO 0.06 -0.13 1.18 -2.28 -2.04 0.00 0.00 177.10 173.88 1wj4 s HIS 12 N -2.20 -0.18 -0.18 1.54 2.46 -1.26 -5.19 115.29 110.28 1wj4 s HIS 12 Ca 0.14 0.24 -0.35 0.00 0.47 0.00 0.00 55.06 55.56 1wj4 s HIS 12 Cb 0.05 0.49 0.15 0.00 -0.13 0.00 0.00 32.58 33.15 1wj4 s HIS 12 CO -0.05 -0.21 1.43 -0.65 -2.47 0.00 0.00 174.74 172.79 1wj4 s GLN 13 N -1.63 0.00 0.00 2.88 -0.21 -1.26 -5.14 119.66 114.30 1wj4 s GLN 13 Ca 0.06 -0.00 0.00 0.00 0.02 0.00 0.00 55.36 55.44 1wj4 s GLN 13 Cb -0.01 0.00 0.00 0.00 1.00 0.00 0.00 33.01 34.00 1wj4 s GLN 13 CO -0.04 -0.00 0.00 0.41 -2.12 0.00 0.00 175.29 173.54 1wj4 n GLY 14 N -0.30 -0.84 3.77 3.09 0.00 -1.26 -5.16 105.19 104.49 1wj4 n GLY 14 Ca -0.04 0.81 -0.33 0.00 0.00 0.00 0.00 46.02 46.47 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 3.42 0.00 0.99 2.01 -1.26 -5.04 118.68 118.79 1wj4 s LEU 15 Ca 0.00 2.05 0.00 0.00 0.01 0.00 0.00 54.13 56.19 1wj4 s LEU 15 Cb 0.00 -4.56 0.00 0.00 0.01 0.00 0.00 46.19 41.64 1wj4 s LEU 15 CO 0.00 -1.66 0.00 -0.81 1.01 0.00 0.00 176.35 174.89 1wj4 n PRO 16 N -2.34 0.49 -3.57 1.29 -0.04 -1.26 -5.11 135.00 124.46 1wj4 n PRO 16 Ca 0.11 0.00 -0.15 0.00 -0.04 0.00 0.00 63.50 63.42 1wj4 n PRO 16 Cb 0.52 0.00 -0.06 0.00 -0.04 0.00 0.00 33.50 33.92 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 -1.42 0.09 0.55 0.00 -1.26 -5.18 121.76 111.04 1wj4 s ALA 17 Ca 0.00 0.79 0.02 0.00 0.00 0.00 0.00 51.96 52.77 1wj4 s ALA 17 Cb 0.00 0.26 -0.04 0.00 0.00 0.00 0.00 23.12 23.34 1wj4 s ALA 17 CO 0.00 -0.45 -0.07 0.08 0.00 0.00 0.00 175.76 175.32 1wj4 s VAL 18 N -2.02 0.69 0.29 0.00 1.01 -1.26 -5.17 120.40 113.94 1wj4 s VAL 18 Ca -0.08 -1.81 -0.18 0.00 0.00 0.00 0.00 61.98 59.91 1wj4 s VAL 18 Cb -0.01 -1.53 0.02 0.00 0.00 0.00 0.00 36.38 34.86 1wj4 s VAL 18 CO 0.02 -0.80 0.66 -0.62 0.00 0.00 0.00 175.10 174.37 1wj4 s ASP 19 N -2.83 -0.16 -1.16 3.32 -1.08 -1.26 -5.06 116.67 108.44 1wj4 s ASP 19 Ca 0.09 -0.77 -0.04 0.00 -0.52 0.00 0.00 52.55 51.31 1wj4 s ASP 19 Cb 0.03 0.71 0.24 0.00 -1.46 0.00 0.00 42.92 42.43 1wj4 s ASP 19 CO -0.04 -1.34 1.95 -1.20 0.52 0.00 0.00 175.17 175.07 1wj4 n SER 20 N -0.57 7.17 0.00 -0.34 7.64 -1.26 -4.89 113.62 121.37 1wj4 n SER 20 Ca -0.04 -3.41 0.00 0.00 1.01 0.00 0.00 58.87 56.44 1wj4 n SER 20 Cb 0.60 -1.28 0.00 0.00 -1.01 0.00 0.00 64.21 62.52 1wj4 n SER 20 CO 0.00 0.00 0.00 -0.62 -3.01 0.00 0.00 175.04 171.41 1wj4 n GLU 21 N 1.18 0.00 0.00 1.43 -0.58 -1.26 -4.72 120.64 116.69 1wj4 n GLU 21 Ca 0.48 0.00 0.00 0.00 -0.42 0.00 0.00 57.16 57.22 1wj4 n GLU 21 Cb 0.28 -0.43 0.00 0.00 -0.57 0.00 0.00 31.44 30.71 1wj4 n GLU 21 CO 0.00 0.00 0.00 -0.89 -0.48 0.00 0.00 177.13 175.76 1wj4 n ILE 22 N 0.00 0.00 -3.95 -3.67 -0.00 -1.26 -4.88 119.36 105.60 1wj4 n ILE 22 Ca 0.00 0.00 -0.09 0.00 -0.00 0.00 0.00 62.75 62.66 1wj4 n ILE 22 Cb 0.00 0.00 -0.03 0.00 -0.00 0.00 0.00 39.64 39.61 1wj4 n ILE 22 CO 0.00 0.00 0.00 0.18 -0.00 0.00 0.00 176.55 176.73 1wj4 n LEU 23 N 0.00 0.00 -2.87 1.39 4.77 -1.26 -5.09 117.00 113.94 1wj4 n LEU 23 Ca 0.00 -1.55 -0.17 0.00 -0.03 0.00 0.00 56.01 54.26 1wj4 n LEU 23 Cb 0.00 1.16 -0.01 0.00 -2.33 0.00 0.00 43.42 42.24 1wj4 n LEU 23 CO 0.00 -0.32 -0.09 -1.84 -1.33 0.00 0.00 177.39 173.82 1wj4 n GLU 24 N -0.31 1.63 -1.66 3.23 0.28 -1.26 -5.10 120.64 117.45 1wj4 n GLU 24 Ca 0.02 -3.66 -0.64 0.00 -0.16 0.00 0.00 57.16 52.72 1wj4 n GLU 24 Cb 0.31 -1.67 -0.09 0.00 1.43 0.00 0.00 31.44 31.42 1wj4 n GLU 24 CO 0.00 0.00 0.00 -1.33 -0.16 0.00 0.00 177.13 175.64 1wj4 n MET 25 N -0.01 0.15 -2.37 3.44 2.81 -1.26 -4.89 117.12 115.00 1wj4 n MET 25 Ca 0.22 0.05 -0.33 0.00 -1.81 0.00 0.00 57.70 55.83 1wj4 n MET 25 Cb 0.69 -1.58 -0.02 0.00 -0.71 0.00 0.00 33.22 31.60 1wj4 n MET 25 CO 0.00 0.00 0.00 -1.25 1.51 0.00 0.00 175.97 176.23 1wj4 s PRO 26 N 2.04 3.65 0.95 0.03 0.04 -1.26 -5.05 135.00 135.40 1wj4 s PRO 26 Ca 0.99 1.28 -0.13 0.00 0.04 0.00 0.00 61.00 63.18 1wj4 s PRO 26 Cb -1.37 -2.08 0.16 0.00 0.04 0.00 0.00 34.50 31.25 1wj4 s PRO 26 CO 0.72 -0.55 1.15 -1.25 0.04 0.00 0.00 177.00 177.11 1wj4 s PRO 27 N -3.57 0.84 0.26 0.56 0.04 -1.26 -5.09 135.00 126.78 1wj4 s PRO 27 Ca 0.65 0.18 0.03 0.00 0.04 0.00 0.00 61.00 61.90 1wj4 s PRO 27 Cb -0.16 -1.81 -0.05 0.00 0.04 0.00 0.00 34.50 32.51 1wj4 s PRO 27 CO 0.26 -2.38 0.05 -2.00 0.04 0.00 0.00 177.00 172.98 1wj4 s GLU 28 N -5.36 1.44 -0.40 4.56 2.12 -1.26 -5.07 118.70 114.73 1wj4 s GLU 28 Ca 0.66 -1.77 0.08 0.00 0.36 0.00 0.00 54.97 54.29 1wj4 s GLU 28 Cb -0.13 -0.54 0.43 0.00 0.26 0.00 0.00 34.13 34.15 1wj4 s GLU 28 CO 0.54 -0.20 1.10 0.36 -0.54 0.00 0.00 175.26 176.51 1wj4 n LYS 29 N -0.50 3.06 -4.32 4.30 2.85 -1.26 -4.90 118.16 117.39 1wj4 n LYS 29 Ca -0.02 -4.25 -0.17 0.00 -1.05 0.00 0.00 58.31 52.81 1wj4 n LYS 29 Cb 0.65 -2.08 -0.10 0.00 -0.65 0.00 0.00 35.03 32.85 1wj4 n LYS 29 CO 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 177.40 177.35 1wj4 s ALA 30 N -3.49 1.78 0.15 0.58 0.00 -1.26 -5.17 121.76 114.36 1wj4 s ALA 30 Ca 0.45 -1.76 -0.08 0.00 0.00 0.00 0.00 51.96 50.57 1wj4 s ALA 30 Cb 0.41 0.50 -0.01 0.00 0.00 0.00 0.00 23.12 24.02 1wj4 s ALA 30 CO -0.12 -0.25 0.26 0.16 0.00 0.00 0.00 175.76 175.80 1wj4 s ASP 31 N -3.30 0.06 0.05 0.00 1.47 -1.26 -4.73 116.67 108.97 1wj4 s ASP 31 Ca 0.28 -0.87 -0.11 0.00 1.18 0.00 0.00 52.55 53.03 1wj4 s ASP 31 Cb 0.06 0.42 -0.06 0.00 -0.34 0.00 0.00 42.92 43.00 1wj4 s ASP 31 CO 0.08 -0.87 0.40 -0.83 0.68 0.00 0.00 175.17 174.64 1wj4 s GLY 32 N -2.96 2.38 -1.00 2.12 0.00 -1.26 -5.03 107.32 101.57 1wj4 s GLY 32 Ca 0.16 -0.33 -0.12 0.00 0.00 0.00 0.00 44.72 44.44 1wj4 s GLY 32 CO -0.01 -0.06 1.00 0.14 0.00 0.00 0.00 173.10 174.16 1wj4 s VAL 33 N -1.30 5.77 -0.34 1.40 1.01 -1.26 -4.96 120.40 120.72 1wj4 s VAL 33 Ca 0.30 -2.96 0.04 0.00 0.00 0.00 0.00 61.98 59.35 1wj4 s VAL 33 Cb -0.15 -4.58 0.10 0.00 0.00 0.00 0.00 36.38 31.76 1wj4 s VAL 33 CO 0.16 -1.16 0.05 -0.69 0.00 0.00 0.00 175.10 173.47 1wj4 s VAL 34 N -0.45 2.32 0.02 2.92 1.01 -1.26 -5.08 120.40 119.89 1wj4 s VAL 34 Ca 0.27 -2.33 0.01 0.00 0.00 0.00 0.00 61.98 59.92 1wj4 s VAL 34 Cb -0.09 -2.71 -0.02 0.00 0.00 0.00 0.00 36.38 33.56 1wj4 s VAL 34 CO -0.08 -0.60 -0.04 -0.70 0.00 0.00 0.00 175.10 173.68 1wj4 s GLU 35 N 0.91 0.35 0.00 2.72 2.12 -1.26 -5.11 118.70 118.43 1wj4 s GLU 35 Ca 0.11 -0.55 0.00 0.00 0.36 0.00 0.00 54.97 54.89 1wj4 s GLU 35 Cb -0.19 -0.06 0.00 0.00 0.26 0.00 0.00 34.13 34.14 1wj4 s GLU 35 CO -0.08 -0.00 0.00 0.41 -0.54 0.00 0.00 175.26 175.05 1wj4 n GLY 36 N 1.85 3.57 3.47 -1.50 0.00 -1.26 -5.13 105.19 106.18 1wj4 n GLY 36 Ca -0.21 -1.36 -0.31 0.00 0.00 0.00 0.00 46.02 44.14 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 -1.65 0.00 -3.35 -0.61 -5.35 -1.26 -4.94 119.36 102.20 1wj4 n ILE 37 Ca 0.00 -0.27 -0.45 0.00 -0.27 0.00 0.00 62.75 61.77 1wj4 n ILE 37 Cb 0.00 -0.85 -0.07 0.00 -1.74 0.00 0.00 39.64 36.98 1wj4 n ILE 37 CO 0.00 0.00 0.00 1.51 -1.76 0.00 0.00 176.55 176.30 1wj4 s ASP 38 N -2.28 6.16 -0.11 7.28 -4.77 -1.26 -5.04 116.67 116.65 1wj4 s ASP 38 Ca 0.64 -1.37 -0.00 0.00 -3.30 0.00 0.00 52.55 48.51 1wj4 s ASP 38 Cb -0.21 -2.20 -0.02 0.00 -1.09 0.00 0.00 42.92 39.40 1wj4 s ASP 38 CO 0.64 -0.71 -0.09 0.68 0.70 0.00 0.00 175.17 176.39 1wj4 s VAL 39 N 1.74 3.44 -0.38 2.11 -7.23 -1.26 -5.01 120.40 113.81 1wj4 s VAL 39 Ca 0.05 -0.54 -0.30 0.00 -1.81 0.00 0.00 61.98 59.38 1wj4 s VAL 39 Cb -0.25 -2.44 -0.09 0.00 0.56 0.00 0.00 36.38 34.16 1wj4 s VAL 39 CO 0.06 0.54 2.29 -3.20 -0.31 0.00 0.00 175.10 174.49 1wj4 n ASN 40 N 3.09 2.47 0.00 4.85 5.15 -1.26 -4.77 115.26 124.79 1wj4 n ASN 40 Ca -0.18 0.09 0.00 0.00 -0.60 0.00 0.00 54.58 53.90 1wj4 n ASN 40 Cb 0.53 -1.43 0.00 0.00 -0.53 0.00 0.00 39.78 38.35 1wj4 n ASN 40 CO 0.00 0.00 0.00 0.61 1.40 0.00 0.00 177.26 179.27 1wj4 n GLY 41 N 6.14 4.54 3.71 8.20 0.00 -1.26 -5.11 105.19 121.40 1wj4 n GLY 41 Ca 0.38 -0.61 -0.42 0.00 0.00 0.00 0.00 46.02 45.37 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 3.60 4.43 0.99 1.61 0.04 -1.26 -4.98 135.00 139.44 1wj4 s PRO 42 Ca 0.00 1.72 -0.15 0.00 0.04 0.00 0.00 61.00 62.61 1wj4 s PRO 42 Cb 0.00 -3.40 0.02 0.00 0.04 0.00 0.00 34.50 31.16 1wj4 s PRO 42 CO 0.00 -0.28 0.12 1.17 0.04 0.00 0.00 177.00 178.05 1wj4 n LYS 43 N 4.19 -0.54 -3.61 4.56 4.81 -1.26 -4.67 118.16 121.65 1wj4 n LYS 43 Ca 0.09 -0.13 -0.39 0.00 -0.87 0.00 0.00 58.31 57.01 1wj4 n LYS 43 Cb 0.47 -1.70 -0.11 0.00 0.02 0.00 0.00 35.03 33.71 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 -2.30 3.35 -0.18 3.14 0.00 0.62 -4.85 121.76 121.53 1wj4 s ALA 44 Ca 0.54 -1.40 -0.22 0.00 0.00 0.00 0.00 51.96 50.87 1wj4 s ALA 44 Cb -0.18 -2.48 -0.02 0.00 0.00 0.00 0.00 23.12 20.44 1wj4 s ALA 44 CO 0.69 -0.95 0.69 -0.65 0.00 0.00 0.00 175.76 175.54 1wj4 s GLN 45 N 1.64 4.25 -0.10 0.00 -0.21 -0.98 0.04 119.66 124.30 1wj4 s GLN 45 Ca 0.05 0.74 0.03 0.00 0.02 0.00 0.00 55.36 56.19 1wj4 s GLN 45 Cb -0.17 -3.57 0.01 0.00 1.00 0.00 0.00 33.01 30.28 1wj4 s GLN 45 CO 0.08 -0.24 -0.18 -0.51 -2.12 0.00 0.00 175.29 172.31 1wj4 s LEU 46 N 1.90 1.87 -0.17 2.90 2.01 -0.28 -1.21 118.68 125.69 1wj4 s LEU 46 Ca 0.32 -0.47 -0.16 0.00 0.01 0.00 0.00 54.13 53.83 1wj4 s LEU 46 Cb -0.16 -1.18 -0.04 0.00 0.01 0.00 0.00 46.19 44.82 1wj4 s LEU 46 CO 0.11 0.07 0.39 -0.32 1.01 0.00 0.00 176.35 177.62 1wj4 s MET 47 N 0.71 4.24 -0.32 1.70 -2.45 -0.66 -1.45 119.30 121.07 1wj4 s MET 47 Ca -0.12 0.24 -0.11 0.00 -1.25 0.00 0.00 55.69 54.45 1wj4 s MET 47 Cb -0.16 -3.48 -0.02 0.00 1.25 0.00 0.00 34.83 32.42 1wj4 s MET 47 CO 0.02 0.08 0.19 -0.51 1.05 0.00 0.00 175.02 175.85 1wj4 s LEU 48 N 0.94 4.25 -0.47 4.11 1.43 0.57 0.23 118.68 129.74 1wj4 s LEU 48 Ca 0.20 -0.42 -0.09 0.00 -1.03 0.00 0.00 54.13 52.79 1wj4 s LEU 48 Cb -0.14 -2.07 0.12 0.00 0.03 0.00 0.00 46.19 44.13 1wj4 s LEU 48 CO 0.07 -0.19 0.34 -0.13 0.23 0.00 0.00 176.35 176.68 1wj4 s ARG 49 N 1.67 2.49 0.34 1.70 1.81 -0.38 0.16 118.95 126.74 1wj4 s ARG 49 Ca 0.06 -1.75 -0.27 0.00 -1.72 0.00 0.00 55.73 52.05 1wj4 s ARG 49 Cb -0.17 -3.92 -0.09 0.00 -0.45 0.00 0.00 34.95 30.32 1wj4 s ARG 49 CO 0.08 -1.18 1.12 0.71 -0.68 0.00 0.00 175.30 175.35 1wj4 s TYR 50 N 1.37 3.35 -0.76 -0.53 2.02 0.62 -1.09 117.35 122.32 1wj4 s TYR 50 Ca 0.06 1.64 -0.06 0.00 -0.37 0.00 0.00 57.07 58.33 1wj4 s TYR 50 Cb -0.26 -3.29 -0.12 0.00 -0.40 0.00 0.00 41.96 37.89 1wj4 s TYR 50 CO -0.01 -0.83 2.62 -0.35 -1.57 0.00 0.00 175.55 175.42 1wj4 n PRO 51 N 0.58 2.30 -0.71 -1.71 -0.04 -1.26 -2.85 135.00 131.31 1wj4 n PRO 51 Ca 0.02 -1.39 -0.03 0.00 -0.04 0.00 0.00 63.50 62.06 1wj4 n PRO 51 Cb 0.46 -2.33 -0.03 0.00 -0.04 0.00 0.00 33.50 31.56 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 3.44 -0.46 0.00 3.54 9.92 -1.26 -4.97 116.55 126.76 1wj4 n ASP 52 Ca 0.49 -1.39 0.00 0.00 -0.53 0.00 0.00 54.79 53.37 1wj4 n ASP 52 Cb 0.37 0.14 0.00 0.00 -0.64 0.00 0.00 41.12 40.99 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 0.00 2.74 3.90 0.44 0.00 -1.13 -4.97 105.19 106.17 1wj4 n GLY 53 Ca -0.13 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.60 1wj4 n GLY 53 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1wj4 s LYS 54 N 0.00 2.96 0.22 1.61 -2.85 -1.25 -4.92 119.74 115.52 1wj4 s LYS 54 Ca 0.00 0.29 -0.05 0.00 -1.00 0.00 0.00 55.97 55.20 1wj4 s LYS 54 Cb 0.00 -2.14 0.02 0.00 -2.06 0.00 0.00 37.83 33.65 1wj4 s LYS 54 CO 0.00 -0.83 0.39 2.89 0.10 0.00 0.00 175.35 177.89 1wj4 n ARG 55 N -2.79 0.56 -3.61 1.78 1.85 -1.26 -0.27 116.66 112.91 1wj4 n ARG 55 Ca 0.06 -1.45 -0.02 0.00 -1.00 0.00 0.00 57.85 55.43 1wj4 n ARG 55 Cb 0.57 1.61 -0.06 0.00 -1.05 0.00 0.00 32.46 33.53 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 -2.23 0.42 -0.26 2.89 2.12 0.41 -4.87 118.70 117.19 1wj4 s GLU 56 Ca 0.13 0.78 -0.08 0.00 0.36 0.00 0.00 54.97 56.16 1wj4 s GLU 56 Cb -0.02 0.16 -0.03 0.00 0.26 0.00 0.00 34.13 34.51 1wj4 s GLU 56 CO 0.09 -0.10 0.08 -1.14 -0.54 0.00 0.00 175.26 173.65 1wj4 s GLN 57 N 1.59 3.63 0.32 4.30 0.74 -1.26 0.21 119.66 129.19 1wj4 s GLN 57 Ca -0.08 -0.50 0.10 0.00 0.05 0.00 0.00 55.36 54.93 1wj4 s GLN 57 Cb -0.04 -3.35 -0.06 0.00 1.10 0.00 0.00 33.01 30.66 1wj4 s GLN 57 CO -0.16 -0.21 -0.11 0.96 -0.55 0.00 0.00 175.29 175.22 1wj4 s ILE 58 N 1.62 2.47 -0.27 -2.34 -4.36 -0.53 -4.99 121.20 112.80 1wj4 s ILE 58 Ca 0.06 -2.21 0.01 0.00 -0.26 0.00 0.00 60.65 58.25 1wj4 s ILE 58 Cb -0.15 -2.57 0.08 0.00 1.25 0.00 0.00 42.46 41.06 1wj4 s ILE 58 CO 0.04 -0.28 -0.01 -0.89 0.24 0.00 0.00 174.94 174.04 1wj4 s THR 59 N -2.54 1.64 0.29 8.37 2.01 -1.26 -1.13 115.64 123.02 1wj4 s THR 59 Ca 0.32 -1.53 0.07 0.00 0.31 0.00 0.00 61.69 60.86 1wj4 s THR 59 Cb -0.01 -2.01 -0.03 0.00 0.01 0.00 0.00 72.50 70.46 1wj4 s THR 59 CO 0.17 -0.30 0.32 -0.76 -0.69 0.00 0.00 174.62 173.36 1wj4 s LEU 60 N 1.30 3.87 0.76 4.42 2.01 0.11 -4.86 118.68 126.29 1wj4 s LEU 60 Ca 0.00 -0.26 -0.11 0.00 0.01 0.00 0.00 54.13 53.77 1wj4 s LEU 60 Cb -0.19 -2.49 0.04 0.00 0.01 0.00 0.00 46.19 43.57 1wj4 s LEU 60 CO -0.09 -0.23 1.08 -2.16 1.01 0.00 0.00 176.35 175.96 1wj4 s PRO 61 N -3.99 2.43 0.22 1.29 0.04 -1.26 0.23 135.00 133.96 1wj4 s PRO 61 Ca 0.38 0.77 -0.03 0.00 0.04 0.00 0.00 61.00 62.16 1wj4 s PRO 61 Cb -0.08 -1.95 0.20 0.00 0.04 0.00 0.00 34.50 32.72 1wj4 s PRO 61 CO 0.28 -1.41 1.62 0.93 0.04 0.00 0.00 177.00 178.46 1wj4 h GLU 62 N -0.94 0.71 -1.04 4.56 5.08 -1.91 -2.86 114.58 118.18 1wj4 h GLU 62 Ca -0.46 -0.30 -0.63 0.00 -1.00 0.00 0.00 59.36 56.97 1wj4 h GLU 62 Cb 1.24 -0.02 -0.28 0.00 0.50 0.00 0.00 28.75 30.19 1wj4 h GLU 62 CO 0.58 0.90 0.82 0.00 -1.00 0.00 0.00 179.01 180.31 1wj4 n GLN 63 N -4.09 2.56 -3.73 2.33 10.64 -1.26 -3.40 117.38 120.43 1wj4 n GLN 63 Ca -0.00 -3.12 -0.36 0.00 -1.83 0.00 0.00 57.00 51.69 1wj4 n GLN 63 Cb 0.45 -2.22 -0.07 0.00 -0.86 0.00 0.00 30.24 27.54 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 -3.60 3.73 0.08 2.61 0.00 -1.08 -4.90 121.76 118.60 1wj4 s ALA 64 Ca 0.61 -0.62 -0.31 0.00 0.00 0.00 0.00 51.96 51.64 1wj4 s ALA 64 Cb 0.48 -2.16 -0.09 0.00 0.00 0.00 0.00 23.12 21.36 1wj4 s ALA 64 CO 0.01 0.29 1.68 0.15 0.00 0.00 0.00 175.76 177.88 1wj4 s LYS 65 N -0.07 4.19 0.47 0.00 -0.14 -1.25 -0.28 119.74 122.65 1wj4 s LYS 65 Ca 0.12 2.38 0.37 0.00 -1.36 0.00 0.00 55.97 57.48 1wj4 s LYS 65 Cb -0.12 -3.58 1.53 0.00 -1.68 0.00 0.00 37.83 33.99 1wj4 s LYS 65 CO 0.01 -0.75 1.52 -0.11 -0.76 0.00 0.00 175.35 175.26 1wj4 n LEU 66 N 5.54 0.14 -0.18 3.17 -0.00 -0.84 0.39 117.00 125.20 1wj4 n LEU 66 Ca 0.16 1.22 0.18 0.00 -0.00 0.00 0.00 56.01 57.57 1wj4 n LEU 66 Cb 0.40 -0.60 0.53 0.00 -0.00 0.00 0.00 43.42 43.75 1wj4 n LEU 66 CO 0.63 -1.30 1.22 0.25 -0.00 0.00 0.00 177.39 178.19 1wj4 h LEU 67 N 0.00 0.35 -0.19 -1.96 5.85 -1.85 0.00 115.31 117.50 1wj4 h LEU 67 Ca 0.88 0.03 0.05 0.00 0.84 0.00 0.00 57.88 59.68 1wj4 h LEU 67 Cb 3.07 -0.04 -0.06 0.00 0.37 0.00 0.00 40.66 44.00 1wj4 h LEU 67 CO -0.31 0.16 -0.23 0.00 -0.34 0.00 0.00 178.44 177.73 1wj4 h ALA 68 N 1.63 -0.15 -0.28 1.25 0.00 0.68 1.86 119.26 124.26 1wj4 h ALA 68 Ca 0.40 0.06 -0.06 0.00 0.00 0.00 0.00 54.91 55.31 1wj4 h ALA 68 Cb 1.02 0.47 -0.02 0.00 0.00 0.00 0.00 17.79 19.27 1wj4 h ALA 68 CO -0.12 -0.67 -0.09 1.25 0.00 0.00 0.00 179.25 179.61 1wj4 h LEU 69 N -0.26 0.43 -0.73 0.00 7.12 -1.15 -1.70 115.31 119.02 1wj4 h LEU 69 Ca 0.12 -0.10 -0.12 0.00 0.13 0.00 0.00 57.88 57.91 1wj4 h LEU 69 Cb 0.44 -0.11 -0.01 0.00 -0.53 0.00 0.00 40.66 40.45 1wj4 h LEU 69 CO -0.35 0.56 -0.33 0.58 -0.13 0.00 0.00 178.44 178.78 1wj4 h VAL 70 N 0.42 1.29 -0.13 1.05 2.07 0.25 -2.74 116.25 118.46 1wj4 h VAL 70 Ca 0.08 -1.45 -0.01 0.00 0.82 0.00 0.00 66.70 66.14 1wj4 h VAL 70 Cb 0.42 1.44 -0.01 0.00 -1.52 0.00 0.00 31.29 31.63 1wj4 h VAL 70 CO 0.02 0.46 0.05 0.11 0.02 0.00 0.00 177.57 178.24 1wj4 h LYS 71 N 0.50 0.20 -0.24 1.57 1.57 0.36 0.69 116.57 121.21 1wj4 h LYS 71 Ca 0.06 -0.04 0.06 0.00 -1.87 0.00 0.00 60.65 58.86 1wj4 h LYS 71 Cb 0.82 -0.03 -0.08 0.00 0.08 0.00 0.00 32.23 33.02 1wj4 h LYS 71 CO 0.07 0.30 -0.35 1.25 -0.57 0.00 0.00 179.45 180.15 1wj4 h HIS 72 N 0.05 -0.99 0.00 -1.35 2.76 -1.20 0.83 115.15 115.26 1wj4 h HIS 72 Ca 0.04 0.05 -0.01 0.00 -2.20 0.00 0.00 60.37 58.25 1wj4 h HIS 72 Cb 0.18 0.47 -0.00 0.00 1.55 0.00 0.00 27.41 29.61 1wj4 h HIS 72 CO -0.01 -0.41 -0.05 0.28 -1.30 0.00 0.00 177.93 176.44 1wj4 h VAL 73 N -0.36 0.33 0.09 5.26 2.07 -1.36 0.64 116.25 122.92 1wj4 h VAL 73 Ca 0.12 -0.30 -0.00 0.00 0.82 0.00 0.00 66.70 67.34 1wj4 h VAL 73 Cb 0.56 1.22 0.00 0.00 -1.52 0.00 0.00 31.29 31.55 1wj4 h VAL 73 CO -0.44 0.05 -0.04 -0.61 0.02 0.00 0.00 177.57 176.55 1wj4 h GLN 74 N 0.00 -0.12 -0.01 1.57 4.15 0.28 0.17 115.11 121.16 1wj4 h GLN 74 Ca -0.00 0.01 -0.14 0.00 0.77 0.00 0.00 58.65 59.29 1wj4 h GLN 74 Cb 0.21 0.03 -0.02 0.00 0.21 0.00 0.00 27.48 27.91 1wj4 h GLN 74 CO 0.01 0.41 -0.64 1.03 -1.93 0.00 0.00 178.83 177.70 1wj4 h SER 75 N -0.75 0.05 -0.45 -0.69 0.87 0.63 -3.09 113.55 110.11 1wj4 h SER 75 Ca -0.01 -0.03 0.06 0.00 -1.23 0.00 0.00 61.79 60.57 1wj4 h SER 75 Cb 0.57 -0.01 -0.05 0.00 -0.44 0.00 0.00 62.40 62.47 1wj4 h SER 75 CO 0.02 0.67 0.17 0.11 -0.53 0.00 0.00 176.83 177.28 1wj4 h LYS 76 N 0.03 0.34 0.00 2.24 1.79 0.22 -3.45 116.57 117.74 1wj4 h LYS 76 Ca -0.01 -0.02 0.00 0.00 -2.18 0.00 0.00 60.65 58.44 1wj4 h LYS 76 Cb 1.14 -0.08 0.00 0.00 -1.58 0.00 0.00 32.23 31.71 1wj4 h LYS 76 CO 0.09 0.22 0.00 0.41 -1.08 0.00 0.00 179.45 179.09 1wj4 n GLY 77 N -1.25 0.00 3.15 3.86 0.00 -1.08 -5.07 105.19 104.80 1wj4 n GLY 77 Ca 0.04 0.00 0.04 0.00 0.00 0.00 0.00 46.02 46.10 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 -1.78 -0.02 1.61 1.51 0.58 -5.01 117.35 114.25 1wj4 s TYR 78 Ca 0.00 1.05 -0.30 0.00 -1.01 0.00 0.00 57.07 56.81 1wj4 s TYR 78 Cb 0.00 0.31 -0.04 0.00 -0.11 0.00 0.00 41.96 42.12 1wj4 s TYR 78 CO 0.00 -1.03 1.20 -1.25 -1.11 0.00 0.00 175.55 173.36 1wj4 s PRO 79 N 2.84 4.38 0.08 -1.71 0.04 -1.26 -2.91 135.00 136.46 1wj4 s PRO 79 Ca 0.11 1.71 -0.19 0.00 0.04 0.00 0.00 61.00 62.67 1wj4 s PRO 79 Cb -0.10 -3.49 -0.06 0.00 0.04 0.00 0.00 34.50 30.90 1wj4 s PRO 79 CO -0.26 -0.38 1.32 -0.97 0.04 0.00 0.00 177.00 176.76 1wj4 h ASN 80 N 7.26 -1.18 -1.69 6.66 -1.24 -1.87 1.61 115.58 125.12 1wj4 h ASN 80 Ca -0.37 0.16 0.50 0.00 0.71 0.00 0.00 56.30 57.31 1wj4 h ASN 80 Cb 1.18 0.50 -0.08 0.00 0.73 0.00 0.00 38.32 40.65 1wj4 h ASN 80 CO 0.86 -0.20 1.21 -1.84 -1.29 0.00 0.00 177.43 176.16 1wj4 n GLU 81 N -4.31 -0.00 -0.02 6.67 0.28 -1.26 -1.43 120.64 120.57 1wj4 n GLU 81 Ca -0.01 0.97 -0.01 0.00 -0.16 0.00 0.00 57.16 57.95 1wj4 n GLU 81 Cb 0.18 -2.21 -0.00 0.00 1.43 0.00 0.00 31.44 30.84 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 -3.79 0.12 -3.57 3.44 1.74 0.36 -4.53 116.66 110.43 1wj4 n ARG 82 Ca 0.39 0.22 -0.33 0.00 -0.77 0.00 0.00 57.85 57.37 1wj4 n ARG 82 Cb 1.74 -0.89 -0.05 0.00 -1.02 0.00 0.00 32.46 32.25 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 -1.36 3.50 -0.02 -1.55 0.40 0.46 -1.12 117.98 118.28 1wj4 s PHE 83 Ca -0.05 0.72 0.05 0.00 -0.60 0.00 0.00 56.93 57.06 1wj4 s PHE 83 Cb 0.01 -2.13 -0.03 0.00 0.51 0.00 0.00 43.02 41.38 1wj4 s PHE 83 CO 0.07 0.41 -0.18 -1.83 0.70 0.00 0.00 175.22 174.40 1wj4 s GLU 84 N -2.47 2.33 -0.12 0.44 -1.05 0.54 -3.73 118.70 114.64 1wj4 s GLU 84 Ca 0.40 -0.80 -0.16 0.00 -0.15 0.00 0.00 54.97 54.26 1wj4 s GLU 84 Cb -0.12 -2.27 -0.04 0.00 -0.44 0.00 0.00 34.13 31.25 1wj4 s GLU 84 CO 0.22 0.59 0.40 -0.51 0.95 0.00 0.00 175.26 176.91 1wj4 s LEU 85 N -0.85 4.28 0.45 1.83 1.43 -1.26 0.03 118.68 124.59 1wj4 s LEU 85 Ca 0.12 0.72 0.05 0.00 -1.03 0.00 0.00 54.13 53.99 1wj4 s LEU 85 Cb -0.10 -2.56 -0.04 0.00 0.03 0.00 0.00 46.19 43.51 1wj4 s LEU 85 CO 0.01 0.07 0.09 -0.76 0.23 0.00 0.00 176.35 176.00 1wj4 s LEU 86 N 0.38 2.77 0.31 1.79 1.43 0.18 -0.02 118.68 125.53 1wj4 s LEU 86 Ca 0.22 -1.35 0.10 0.00 -1.03 0.00 0.00 54.13 52.07 1wj4 s LEU 86 Cb -0.14 -1.03 -0.06 0.00 0.03 0.00 0.00 46.19 44.98 1wj4 s LEU 86 CO 0.08 -0.65 -0.12 0.42 0.23 0.00 0.00 176.35 176.31 1wj4 s THR 87 N -2.73 2.23 0.75 5.49 -4.23 -1.26 -0.36 115.64 115.53 1wj4 s THR 87 Ca 0.29 -2.26 -0.14 0.00 -1.18 0.00 0.00 61.69 58.41 1wj4 s THR 87 Cb 0.05 -2.51 0.05 0.00 1.34 0.00 0.00 72.50 71.43 1wj4 s THR 87 CO 0.15 -0.28 1.16 0.21 -0.54 0.00 0.00 174.62 175.32 1wj4 s ASN 88 N -3.55 4.20 -0.17 3.99 3.84 -0.92 -4.02 114.94 118.30 1wj4 s ASN 88 Ca 0.31 2.18 -0.36 0.00 0.21 0.00 0.00 52.86 55.21 1wj4 s ASN 88 Cb 0.00 -2.57 -0.17 0.00 -0.55 0.00 0.00 41.25 37.97 1wj4 s ASN 88 CO 0.15 -2.25 1.07 2.22 -2.79 0.00 0.00 177.10 175.51 1wj4 n PHE 89 N -3.03 0.92 -1.70 0.43 -1.74 -1.26 -4.05 117.46 107.03 1wj4 n PHE 89 Ca 0.12 0.92 -0.31 0.00 -0.56 0.00 0.00 57.45 57.61 1wj4 n PHE 89 Cb 0.51 -1.79 0.04 0.00 1.52 0.00 0.00 39.48 39.76 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 1.03 3.06 0.43 3.97 0.04 -1.26 -5.05 135.00 137.22 1wj4 s PRO 90 Ca 0.81 1.01 -0.22 0.00 0.04 0.00 0.00 61.00 62.63 1wj4 s PRO 90 Cb -1.14 -2.00 -0.09 0.00 0.04 0.00 0.00 34.50 31.30 1wj4 s PRO 90 CO 0.56 -1.01 1.01 -0.98 0.04 0.00 0.00 177.00 176.63 1wj4 s ARG 91 N -4.80 4.10 0.00 4.56 1.04 -1.26 -4.67 118.95 117.92 1wj4 s ARG 91 Ca 0.59 1.36 0.00 0.00 -1.04 0.00 0.00 55.73 56.64 1wj4 s ARG 91 Cb -0.14 -2.34 0.00 0.00 -2.04 0.00 0.00 34.95 30.43 1wj4 s ARG 91 CO 0.50 -0.17 0.00 0.54 -0.04 0.00 0.00 175.30 176.13 1wj4 n ARG 92 N -0.43 0.00 -3.42 3.89 1.74 -1.26 -4.91 116.66 112.28 1wj4 n ARG 92 Ca 0.07 0.00 -0.17 0.00 -0.77 0.00 0.00 57.85 56.97 1wj4 n ARG 92 Cb 0.52 0.00 -0.10 0.00 -1.02 0.00 0.00 32.46 31.85 1wj4 n ARG 92 CO 0.00 0.00 0.00 0.15 -1.52 0.00 0.00 177.63 176.26 1wj4 s LYS 93 N -0.28 0.30 -1.15 5.56 1.02 -1.26 -4.06 119.74 119.88 1wj4 s LYS 93 Ca 0.00 -0.05 -0.24 0.00 0.02 0.00 0.00 55.97 55.70 1wj4 s LYS 93 Cb 0.00 -0.75 -0.14 0.00 -0.52 0.00 0.00 37.83 36.42 1wj4 s LYS 93 CO 0.00 -0.94 2.01 -0.51 -0.92 0.00 0.00 175.35 174.98 1wj4 s LEU 94 N 2.36 2.77 0.00 3.17 1.43 0.97 -3.60 118.68 125.78 1wj4 s LEU 94 Ca 0.09 -1.39 0.00 0.00 -1.03 0.00 0.00 54.13 51.80 1wj4 s LEU 94 Cb -0.14 -2.59 0.00 0.00 0.03 0.00 0.00 46.19 43.48 1wj4 s LEU 94 CO -0.29 -3.77 0.00 -0.24 0.23 0.00 0.00 176.35 172.29 1wj4 n SER 95 N 16.54 0.00 -0.37 2.29 2.88 -1.26 -4.63 113.62 129.07 1wj4 n SER 95 Ca 0.43 0.00 -0.05 0.00 -1.33 0.00 0.00 58.87 57.92 1wj4 n SER 95 Cb 0.47 0.47 -0.02 0.00 -0.75 0.00 0.00 64.21 64.38 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 -2.47 -0.17 0.00 0.66 1.44 -1.24 -1.92 115.22 111.52 1wj4 n HIS 96 Ca 0.00 1.13 0.00 0.00 -2.01 0.00 0.00 57.72 56.84 1wj4 n HIS 96 Cb 0.00 -0.72 0.00 0.00 0.12 0.00 0.00 29.99 29.39 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 -5.25 0.00 0.00 2.39 -0.00 -1.26 -4.95 117.00 107.93 1wj4 n LEU 97 Ca 0.06 0.36 0.00 0.00 -0.00 0.00 0.00 56.01 56.43 1wj4 n LEU 97 Cb 0.31 0.00 0.00 0.00 -0.00 0.00 0.00 43.42 43.73 1wj4 n LEU 97 CO -0.13 0.00 0.00 0.47 -0.00 0.00 0.00 177.39 177.73 1wj4 n ASP 98 N -0.76 0.00 0.02 1.45 8.00 -0.81 -5.01 116.55 119.45 1wj4 n ASP 98 Ca 0.00 0.00 -0.06 0.00 0.71 0.00 0.00 54.79 55.44 1wj4 n ASP 98 Cb 0.00 0.00 -0.11 0.00 -0.02 0.00 0.00 41.12 40.99 1wj4 n ASP 98 CO 0.00 0.00 0.00 1.88 -0.39 0.00 0.00 177.20 178.69 1wj4 h TYR 99 N 0.00 0.00 -0.18 1.24 0.05 -1.93 -3.29 116.97 112.87 1wj4 h TYR 99 Ca 0.00 0.00 0.05 0.00 0.05 0.00 0.00 58.73 58.83 1wj4 h TYR 99 Cb 0.00 0.00 -0.01 0.00 1.01 0.00 0.00 36.73 37.73 1wj4 h TYR 99 CO 0.00 0.89 0.23 0.22 -1.05 0.00 0.00 178.16 178.45 1wj4 h ASP 100 N 0.00 0.00 -3.87 3.88 1.82 -1.95 -2.25 116.42 114.06 1wj4 h ASP 100 Ca -0.17 0.00 -0.44 0.00 -0.39 0.00 0.00 57.03 56.03 1wj4 h ASP 100 Cb 1.83 0.00 0.16 0.00 0.68 0.00 0.00 39.33 42.00 1wj4 h ASP 100 CO 0.09 0.00 0.22 0.27 -1.61 0.00 0.00 179.24 178.21 1wj4 s ILE 101 N -4.54 1.88 0.24 2.25 -4.36 -1.24 -4.82 121.20 110.62 1wj4 s ILE 101 Ca -0.04 0.00 0.04 0.00 -0.26 0.00 0.00 60.65 60.38 1wj4 s ILE 101 Cb 0.14 -2.60 -0.03 0.00 1.25 0.00 0.00 42.46 41.22 1wj4 s ILE 101 CO 0.51 0.00 0.38 0.42 0.24 0.00 0.00 174.94 176.49 1wj4 s THR 102 N -3.14 5.24 0.56 8.37 -4.23 -1.26 -2.08 115.64 119.11 1wj4 s THR 102 Ca 0.67 -0.84 0.40 0.00 -1.18 0.00 0.00 61.69 60.74 1wj4 s THR 102 Cb -0.14 -3.84 0.59 0.00 1.34 0.00 0.00 72.50 70.45 1wj4 s THR 102 CO 0.56 -0.32 1.69 -0.07 -0.54 0.00 0.00 174.62 175.93 1wj4 h LEU 103 N 1.28 0.00 -0.18 4.79 4.07 -0.66 1.38 115.31 125.99 1wj4 h LEU 103 Ca -0.51 0.00 -0.10 0.00 0.08 0.00 0.00 57.88 57.35 1wj4 h LEU 103 Cb 1.22 0.00 -0.00 0.00 1.08 0.00 0.00 40.66 42.96 1wj4 h LEU 103 CO 0.62 0.00 -0.27 -0.61 -1.08 0.00 0.00 178.44 177.11 1wj4 h GLN 104 N 0.00 0.50 -0.20 1.13 4.15 -1.86 -0.99 115.11 117.84 1wj4 h GLN 104 Ca 0.66 -0.30 -0.01 0.00 0.77 0.00 0.00 58.65 59.77 1wj4 h GLN 104 Cb 2.75 0.03 -0.01 0.00 0.21 0.00 0.00 27.48 30.46 1wj4 h GLN 104 CO -0.01 0.89 0.09 0.93 -1.93 0.00 0.00 178.83 178.80 1wj4 h GLU 105 N 0.15 0.29 0.00 1.69 4.39 0.14 -1.25 114.58 120.00 1wj4 h GLU 105 Ca 0.02 -0.05 0.00 0.00 0.34 0.00 0.00 59.36 59.67 1wj4 h GLU 105 Cb 0.84 -0.05 0.00 0.00 -0.10 0.00 0.00 28.75 29.44 1wj4 h GLU 105 CO 0.06 0.35 0.27 0.00 -1.16 0.00 0.00 179.01 178.53 1wj4 h ALA 106 N 0.93 1.27 -1.67 3.43 0.00 -1.11 -3.45 119.26 118.66 1wj4 h ALA 106 Ca 0.07 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.98 1wj4 h ALA 106 Cb 0.16 0.00 0.00 0.00 0.00 0.00 0.00 17.79 17.95 1wj4 h ALA 106 CO -0.01 -0.27 0.00 0.41 0.00 0.00 0.00 179.25 179.39 1wj4 n GLY 107 N -1.20 0.47 0.67 0.00 0.00 -0.47 -4.99 105.19 99.66 1wj4 n GLY 107 Ca -0.02 -0.39 0.00 0.00 0.00 0.00 0.00 46.02 45.61 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 -0.83 1.06 -4.58 0.99 4.77 -0.41 -4.98 117.00 113.02 1wj4 n LEU 108 Ca 0.00 0.00 -0.41 0.00 -0.03 0.00 0.00 56.01 55.57 1wj4 n LEU 108 Cb 0.41 0.00 0.01 0.00 -2.33 0.00 0.00 43.42 41.51 1wj4 n LEU 108 CO 0.00 0.15 0.50 0.00 -1.33 0.00 0.00 177.39 176.71 1wj4 h PRO 110 N 1.32 -0.04 -4.80 0.00 0.13 -1.94 -3.47 132.00 123.20 1wj4 h PRO 110 Ca -0.44 0.00 -0.55 0.00 -0.87 0.00 0.00 66.00 64.14 1wj4 h PRO 110 Cb 1.35 0.01 -0.33 0.00 0.13 0.00 0.00 31.00 32.16 1wj4 h PRO 110 CO 0.55 0.62 -0.83 -0.65 -0.23 0.00 0.00 178.00 177.47 1wj4 s GLN 111 N -3.14 1.97 0.08 0.86 1.11 -1.09 -2.32 119.66 117.13 1wj4 s GLN 111 Ca -0.16 -0.53 -0.03 0.00 0.01 0.00 0.00 55.36 54.65 1wj4 s GLN 111 Cb -0.01 -1.59 -0.03 0.00 -1.01 0.00 0.00 33.01 30.37 1wj4 s GLN 111 CO 0.61 0.09 0.05 -2.00 0.01 0.00 0.00 175.29 174.05 1wj4 s GLU 112 N 0.52 0.76 -0.31 2.91 2.56 -0.35 -4.96 118.70 119.82 1wj4 s GLU 112 Ca -0.14 -1.21 -0.14 0.00 0.00 0.00 0.00 54.97 53.48 1wj4 s GLU 112 Cb -0.16 0.26 -0.03 0.00 2.00 0.00 0.00 34.13 36.20 1wj4 s GLU 112 CO 0.05 -0.19 0.31 0.99 -0.56 0.00 0.00 175.26 175.85 1wj4 s THR 113 N -3.94 5.22 -0.43 -1.70 2.01 -1.26 -1.65 115.64 113.89 1wj4 s THR 113 Ca 0.11 0.16 -0.15 0.00 0.31 0.00 0.00 61.69 62.12 1wj4 s THR 113 Cb 0.07 -3.71 0.04 0.00 0.01 0.00 0.00 72.50 68.91 1wj4 s THR 113 CO -0.07 0.06 0.32 -0.69 -0.69 0.00 0.00 174.62 173.55 1wj4 s VAL 114 N 1.93 5.17 -0.19 3.82 1.01 0.62 -2.17 120.40 130.59 1wj4 s VAL 114 Ca 0.11 -0.83 -0.15 0.00 0.00 0.00 0.00 61.98 61.10 1wj4 s VAL 114 Cb -0.16 -3.96 -0.04 0.00 0.00 0.00 0.00 36.38 32.22 1wj4 s VAL 114 CO 0.11 -0.40 0.36 -0.36 0.00 0.00 0.00 175.10 174.81 1wj4 s PHE 115 N 1.65 3.40 -0.20 5.22 0.40 0.51 -1.25 117.98 127.72 1wj4 s PHE 115 Ca 0.04 0.61 -0.25 0.00 -0.60 0.00 0.00 56.93 56.73 1wj4 s PHE 115 Cb -0.21 -2.47 -0.01 0.00 0.51 0.00 0.00 43.02 40.84 1wj4 s PHE 115 CO 0.08 0.07 0.84 0.08 0.70 0.00 0.00 175.22 176.99 1wj4 s VAL 116 N 1.04 4.85 0.07 -0.44 1.01 -0.25 0.48 120.40 127.15 1wj4 s VAL 116 Ca 0.18 1.63 0.05 0.00 0.00 0.00 0.00 61.98 63.84 1wj4 s VAL 116 Cb -0.14 -4.14 -0.03 0.00 0.00 0.00 0.00 36.38 32.07 1wj4 s VAL 116 CO 0.07 -0.02 -0.14 -1.58 0.00 0.00 0.00 175.10 173.42 1wj4 s GLN 117 N 2.47 0.84 -0.13 2.72 0.74 0.10 -4.06 119.66 122.34 1wj4 s GLN 117 Ca 0.37 -0.92 -0.29 0.00 0.05 0.00 0.00 55.36 54.57 1wj4 s GLN 117 Cb -0.16 -0.86 -0.02 0.00 1.10 0.00 0.00 33.01 33.07 1wj4 s GLN 117 CO 0.10 0.19 1.35 -2.00 -0.55 0.00 0.00 175.29 174.38 1wj4 s GLU 118 N -1.62 4.23 0.51 1.67 2.12 -1.26 0.20 118.70 124.54 1wj4 s GLU 118 Ca -0.01 1.78 -0.20 0.00 0.36 0.00 0.00 54.97 56.90 1wj4 s GLU 118 Cb -0.10 -3.80 -0.07 0.00 0.26 0.00 0.00 34.13 30.43 1wj4 s GLU 118 CO 0.02 -0.72 1.09 0.45 -0.54 0.00 0.00 175.26 175.56 1wj4 s SER 119 N 2.24 6.04 0.00 -1.70 0.15 -0.28 -4.76 113.70 115.39 1wj4 s SER 119 Ca 0.59 2.09 0.00 0.00 0.70 0.00 0.00 55.95 59.33 1wj4 s SER 119 Cb -0.25 -2.58 0.00 0.00 -1.71 0.00 0.00 66.02 61.49 1wj4 s SER 119 CO 0.18 -0.99 0.00 0.61 1.20 0.00 0.00 173.24 174.24 1wj4 n GLY 120 N 0.04 -1.79 2.79 9.45 0.00 -1.26 -4.73 105.19 109.68 1wj4 n GLY 120 Ca 0.10 -1.24 -0.39 0.00 0.00 0.00 0.00 46.02 44.49 1wj4 n GLY 120 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 1wj4 n PRO 121 N 0.00 2.34 -4.37 1.61 -0.04 -1.26 -4.87 135.00 128.41 1wj4 n PRO 121 Ca 0.00 -2.08 -0.28 0.00 -0.04 0.00 0.00 63.50 61.10 1wj4 n PRO 121 Cb 0.00 -2.95 -0.12 0.00 -0.04 0.00 0.00 33.50 30.40 1wj4 n PRO 121 CO 0.00 0.00 0.00 -1.12 -0.04 0.00 0.00 175.50 174.34 1wj4 s SER 122 N 3.76 3.60 0.16 3.54 0.01 -1.26 -5.04 113.70 118.48 1wj4 s SER 122 Ca 0.53 -0.72 0.00 0.00 1.31 0.00 0.00 55.95 57.07 1wj4 s SER 122 Cb 0.14 -0.37 0.00 0.00 0.21 0.00 0.00 66.02 66.00 1wj4 s SER 122 CO 0.00 0.15 0.00 -0.24 0.41 0.00 0.00 173.24 173.56 1wj4 n SER 123 N 0.58 0.61 0.00 2.44 2.88 -1.26 -4.81 113.62 114.06 1wj4 n SER 123 Ca -0.15 0.26 0.00 0.00 -1.33 0.00 0.00 58.87 57.65 1wj4 n SER 123 Cb 0.54 -0.06 0.00 0.00 -0.75 0.00 0.00 64.21 63.94 1wj4 n SER 123 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42