#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 0.00 0.00 1.61 7.64 -1.26 -5.19 113.62 116.42 1wj4 n SER 2 Ca 0.00 0.00 0.00 0.00 1.01 0.00 0.00 58.87 59.88 1wj4 n SER 2 Cb 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 64.21 63.20 1wj4 n SER 2 CO 0.00 0.00 0.00 -0.24 -3.01 0.00 0.00 175.04 171.79 1wj4 n SER 3 N 0.00 0.00 -3.76 6.43 2.88 -1.26 -5.19 113.62 112.72 1wj4 n SER 3 Ca 0.00 0.00 0.04 0.00 -1.33 0.00 0.00 58.87 57.58 1wj4 n SER 3 Cb 0.00 0.00 0.00 0.00 -0.75 0.00 0.00 64.21 63.46 1wj4 n SER 3 CO 0.00 0.00 0.00 -0.83 -1.23 0.00 0.00 175.04 172.98 1wj4 s GLY 4 N 0.00 -0.37 -0.15 0.46 0.00 -1.26 -5.19 107.32 100.81 1wj4 s GLY 4 Ca 0.00 0.60 -0.34 0.00 0.00 0.00 0.00 44.72 44.98 1wj4 s GLY 4 CO 0.00 3.18 1.16 -0.45 0.00 0.00 0.00 173.10 176.99 1wj4 s SER 5 N -3.43 -0.17 -0.25 1.64 0.15 -1.26 -5.19 113.70 105.19 1wj4 s SER 5 Ca 0.23 -0.01 -0.38 0.00 0.70 0.00 0.00 55.95 56.49 1wj4 s SER 5 Cb 0.04 0.18 0.16 0.00 -1.71 0.00 0.00 66.02 64.70 1wj4 s SER 5 CO -0.05 -0.30 1.41 -0.55 1.20 0.00 0.00 173.24 174.95 1wj4 s SER 6 N -2.27 -0.00 0.00 5.45 0.15 -1.26 -5.14 113.70 110.63 1wj4 s SER 6 Ca 0.09 -0.00 0.00 0.00 0.70 0.00 0.00 55.95 56.74 1wj4 s SER 6 Cb -0.01 0.00 0.00 0.00 -1.71 0.00 0.00 66.02 64.30 1wj4 s SER 6 CO -0.05 -0.00 0.00 0.61 1.20 0.00 0.00 173.24 175.00 1wj4 n GLY 7 N -0.12 -1.49 1.27 9.45 0.00 -1.26 -5.17 105.19 107.87 1wj4 n GLY 7 Ca 0.02 0.89 -0.11 0.00 0.00 0.00 0.00 46.02 46.81 1wj4 n GLY 7 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 1wj4 n THR 8 N 0.00 0.00 0.00 2.61 -2.24 -1.26 -5.07 114.28 108.32 1wj4 n THR 8 Ca 0.00 0.00 0.00 0.00 -2.27 0.00 0.00 64.05 61.78 1wj4 n THR 8 Cb 0.00 -0.37 0.00 0.00 -2.10 0.00 0.00 70.33 67.86 1wj4 n THR 8 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 1wj4 n ALA 9 N -3.93 0.00 -3.59 6.98 0.00 -1.26 -5.19 120.51 113.52 1wj4 n ALA 9 Ca -0.07 0.00 0.02 0.00 0.00 0.00 0.00 53.44 53.38 1wj4 n ALA 9 Cb 0.22 0.00 -0.01 0.00 0.00 0.00 0.00 19.45 19.67 1wj4 n ALA 9 CO 0.00 0.00 0.00 -0.08 0.00 0.00 0.00 177.50 177.42 1wj4 s THR 10 N -1.49 0.00 0.00 0.00 -1.32 -1.26 -5.19 115.64 106.38 1wj4 s THR 10 Ca 0.00 -0.00 0.00 0.00 -1.21 0.00 0.00 61.69 60.48 1wj4 s THR 10 Cb 0.00 -1.62 0.00 0.00 -1.51 0.00 0.00 72.50 69.37 1wj4 s THR 10 CO 0.00 0.00 0.00 -3.20 -2.21 0.00 0.00 174.62 169.21 1wj4 n ASN 11 N -0.31 0.00 -3.63 8.08 5.15 -1.26 -5.19 115.26 118.10 1wj4 n ASN 11 Ca -0.04 0.00 0.01 0.00 -0.60 0.00 0.00 54.58 53.95 1wj4 n ASN 11 Cb 0.61 0.00 -0.01 0.00 -0.53 0.00 0.00 39.78 39.85 1wj4 n ASN 11 CO 0.00 0.00 0.00 -2.28 1.40 0.00 0.00 177.26 176.38 1wj4 s HIS 12 N -2.00 -0.05 -0.20 1.20 2.46 -1.26 -5.18 115.29 110.25 1wj4 s HIS 12 Ca 0.00 -0.07 -0.28 0.00 0.47 0.00 0.00 55.06 55.18 1wj4 s HIS 12 Cb 0.00 0.55 0.13 0.00 -0.13 0.00 0.00 32.58 33.13 1wj4 s HIS 12 CO 0.00 -0.31 1.01 -1.14 -2.47 0.00 0.00 174.74 171.83 1wj4 s GLN 13 N -2.49 0.56 0.00 2.88 2.00 -1.26 -5.05 119.66 116.30 1wj4 s GLN 13 Ca 0.14 0.31 0.00 0.00 -2.00 0.00 0.00 55.36 53.81 1wj4 s GLN 13 Cb 0.04 0.27 0.00 0.00 0.80 0.00 0.00 33.01 34.12 1wj4 s GLN 13 CO -0.03 -0.14 0.00 0.41 -0.50 0.00 0.00 175.29 175.03 1wj4 n GLY 14 N 1.28 0.19 3.64 2.59 0.00 -1.26 -4.96 105.19 106.66 1wj4 n GLY 14 Ca -0.11 -0.34 -0.42 0.00 0.00 0.00 0.00 46.02 45.15 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 -1.76 4.12 0.96 0.99 2.01 -1.26 -4.96 118.68 118.77 1wj4 s LEU 15 Ca 0.00 2.29 -0.14 0.00 0.01 0.00 0.00 54.13 56.29 1wj4 s LEU 15 Cb 0.00 -3.53 0.17 0.00 0.01 0.00 0.00 46.19 42.84 1wj4 s LEU 15 CO 0.00 -1.28 1.16 -2.16 1.01 0.00 0.00 176.35 175.08 1wj4 s PRO 16 N 4.88 0.74 0.59 1.29 0.04 -1.26 -5.08 135.00 136.20 1wj4 s PRO 16 Ca 0.87 0.14 0.09 0.00 0.04 0.00 0.00 61.00 62.14 1wj4 s PRO 16 Cb -0.37 -1.81 0.10 0.00 0.04 0.00 0.00 34.50 32.46 1wj4 s PRO 16 CO 0.37 -2.44 0.81 0.00 0.04 0.00 0.00 177.00 175.78 1wj4 n ALA 17 N -3.90 1.18 -2.52 8.56 0.00 -1.26 -5.13 120.51 117.43 1wj4 n ALA 17 Ca 0.09 -2.08 -0.24 0.00 0.00 0.00 0.00 53.44 51.20 1wj4 n ALA 17 Cb 0.59 0.56 -0.14 0.00 0.00 0.00 0.00 19.45 20.46 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 -2.61 1.56 0.00 0.00 0.11 -1.26 -5.12 120.40 113.07 1wj4 s VAL 18 Ca 0.61 -1.19 0.00 0.00 -2.93 0.00 0.00 61.98 58.47 1wj4 s VAL 18 Cb -0.05 -1.37 0.00 0.00 -1.53 0.00 0.00 36.38 33.43 1wj4 s VAL 18 CO 0.39 0.14 0.00 0.47 -3.33 0.00 0.00 175.10 172.77 1wj4 n ASP 19 N 1.79 0.00 -2.91 3.54 8.00 -1.26 -5.12 116.55 120.59 1wj4 n ASP 19 Ca -0.18 0.00 -0.02 0.00 0.71 0.00 0.00 54.79 55.31 1wj4 n ASP 19 Cb 0.54 0.00 0.00 0.00 -0.02 0.00 0.00 41.12 41.64 1wj4 n ASP 19 CO 0.00 0.00 0.00 -0.55 -0.39 0.00 0.00 177.20 176.26 1wj4 s SER 20 N 0.00 -1.35 -0.15 -2.24 0.15 -1.26 -5.04 113.70 103.82 1wj4 s SER 20 Ca 0.00 -1.23 -0.10 0.00 0.70 0.00 0.00 55.95 55.31 1wj4 s SER 20 Cb 0.00 1.75 -0.06 0.00 -1.71 0.00 0.00 66.02 66.00 1wj4 s SER 20 CO 0.00 -0.09 -0.08 -0.08 1.20 0.00 0.00 173.24 174.20 1wj4 h GLU 21 N 5.66 0.00 -6.54 5.44 4.57 -2.08 -3.46 114.58 118.17 1wj4 h GLU 21 Ca 0.05 0.00 -0.60 0.00 -1.18 0.00 0.00 59.36 57.63 1wj4 h GLU 21 Cb 1.14 0.00 0.09 0.00 -0.16 0.00 0.00 28.75 29.82 1wj4 h GLU 21 CO 0.03 0.18 0.50 -0.89 -1.18 0.00 0.00 179.01 177.65 1wj4 n ILE 22 N -4.61 1.08 -4.51 2.32 5.41 -1.26 -4.98 119.36 112.81 1wj4 n ILE 22 Ca -0.10 -0.27 -0.24 0.00 1.00 0.00 0.00 62.75 63.14 1wj4 n ILE 22 Cb 0.30 -1.31 -0.10 0.00 -0.71 0.00 0.00 39.64 37.82 1wj4 n ILE 22 CO 0.00 0.00 0.00 -0.76 0.00 0.00 0.00 176.55 175.79 1wj4 s LEU 23 N 0.16 2.34 -0.14 1.39 1.43 -1.26 -4.98 118.68 117.62 1wj4 s LEU 23 Ca 0.68 -1.42 -0.01 0.00 -1.03 0.00 0.00 54.13 52.35 1wj4 s LEU 23 Cb -0.69 -0.50 0.00 0.00 0.03 0.00 0.00 46.19 45.03 1wj4 s LEU 23 CO 0.52 -0.61 0.05 1.21 0.23 0.00 0.00 176.35 177.74 1wj4 n GLU 24 N -0.81 -1.38 -1.04 1.70 2.13 -1.26 -4.99 120.64 115.00 1wj4 n GLU 24 Ca -0.04 1.41 -0.33 0.00 0.66 0.00 0.00 57.16 58.86 1wj4 n GLU 24 Cb 0.67 -2.92 0.13 0.00 0.27 0.00 0.00 31.44 29.59 1wj4 n GLU 24 CO 0.00 0.00 0.00 0.00 -0.41 0.00 0.00 177.13 176.72 1wj4 n MET 25 N 0.15 0.08 -2.55 5.31 0.00 -1.26 -4.97 117.12 113.88 1wj4 n MET 25 Ca 0.01 0.10 -0.34 0.00 0.00 0.00 0.00 57.70 57.47 1wj4 n MET 25 Cb 0.04 -2.40 -0.04 0.00 0.00 0.00 0.00 33.22 30.82 1wj4 n MET 25 CO 0.00 0.00 0.00 -1.25 0.00 0.00 0.00 175.97 174.72 1wj4 s PRO 26 N -4.14 3.81 0.22 3.17 0.04 -1.26 -5.06 135.00 131.79 1wj4 s PRO 26 Ca 0.72 1.36 -0.04 0.00 0.04 0.00 0.00 61.00 63.08 1wj4 s PRO 26 Cb -0.28 -2.10 0.05 0.00 0.04 0.00 0.00 34.50 32.21 1wj4 s PRO 26 CO 0.52 -0.42 0.25 -0.35 0.04 0.00 0.00 177.00 177.04 1wj4 n PRO 27 N -0.94 -0.85 -3.71 0.56 -0.04 -1.26 -5.11 135.00 123.65 1wj4 n PRO 27 Ca 0.09 -0.39 -0.08 0.00 -0.04 0.00 0.00 63.50 63.09 1wj4 n PRO 27 Cb 0.52 -0.31 -0.02 0.00 -0.04 0.00 0.00 33.50 33.66 1wj4 n PRO 27 CO 0.00 0.00 0.00 -1.21 -0.04 0.00 0.00 175.50 174.25 1wj4 s GLU 28 N -3.55 1.48 5.36 0.54 2.02 -1.26 -5.07 118.70 118.22 1wj4 s GLU 28 Ca 0.15 -0.75 0.00 0.00 0.02 0.00 0.00 54.97 54.39 1wj4 s GLU 28 Cb -0.01 0.55 0.00 0.00 0.10 0.00 0.00 34.13 34.77 1wj4 s GLU 28 CO 0.11 -0.67 0.00 1.63 0.02 0.00 0.00 175.26 176.35 1wj4 n LYS 29 N -0.43 0.00 -0.64 1.61 5.02 -1.26 -4.94 118.16 117.52 1wj4 n LYS 29 Ca -0.08 0.00 0.09 0.00 -2.02 0.00 0.00 58.31 56.30 1wj4 n LYS 29 Cb 0.61 0.00 -0.02 0.00 -0.02 0.00 0.00 35.03 35.60 1wj4 n LYS 29 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 1wj4 n ALA 30 N 9.14 -1.66 -2.98 7.82 0.00 -1.26 -5.00 120.51 126.57 1wj4 n ALA 30 Ca 0.00 0.20 -0.10 0.00 0.00 0.00 0.00 53.44 53.54 1wj4 n ALA 30 Cb 0.00 -0.57 0.01 0.00 0.00 0.00 0.00 19.45 18.89 1wj4 n ALA 30 CO 0.00 0.00 0.00 -0.25 0.00 0.00 0.00 177.50 177.25 1wj4 n ASP 31 N -2.45 -7.33 0.00 0.00 9.92 -1.26 -4.95 116.55 110.48 1wj4 n ASP 31 Ca 0.00 0.68 0.00 0.00 -0.53 0.00 0.00 54.79 54.94 1wj4 n ASP 31 Cb 0.29 -4.10 0.00 0.00 -0.64 0.00 0.00 41.12 36.67 1wj4 n ASP 31 CO 0.00 0.00 0.00 0.61 0.13 0.00 0.00 177.20 177.94 1wj4 n GLY 32 N 0.29 -1.88 3.38 0.44 0.00 -1.26 -5.04 105.19 101.13 1wj4 n GLY 32 Ca 0.03 0.49 -0.45 0.00 0.00 0.00 0.00 46.02 46.08 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 -0.99 5.35 -0.11 1.61 1.01 -1.26 -4.96 120.40 121.05 1wj4 s VAL 33 Ca 0.00 -2.37 -0.20 0.00 0.00 0.00 0.00 61.98 59.41 1wj4 s VAL 33 Cb 0.00 -4.63 0.05 0.00 0.00 0.00 0.00 36.38 31.80 1wj4 s VAL 33 CO 0.00 -1.26 0.49 0.54 0.00 0.00 0.00 175.10 174.87 1wj4 s VAL 34 N 0.84 0.02 0.27 2.92 0.11 -1.26 -5.13 120.40 118.16 1wj4 s VAL 34 Ca 0.27 -0.13 -0.25 0.00 -2.93 0.00 0.00 61.98 58.94 1wj4 s VAL 34 Cb -0.08 -0.74 -0.16 0.00 -1.53 0.00 0.00 36.38 33.87 1wj4 s VAL 34 CO -0.08 -0.07 0.35 -1.84 -3.33 0.00 0.00 175.10 170.13 1wj4 n GLU 35 N 2.01 0.00 0.00 1.54 0.28 -1.26 -4.88 120.64 118.32 1wj4 n GLU 35 Ca -0.17 0.00 0.00 0.00 -0.16 0.00 0.00 57.16 56.83 1wj4 n GLU 35 Cb 0.56 -0.97 0.00 0.00 1.43 0.00 0.00 31.44 32.46 1wj4 n GLU 35 CO 0.00 0.00 0.00 0.41 -0.16 0.00 0.00 177.13 177.38 1wj4 n GLY 36 N 2.07 -1.66 3.74 -1.84 0.00 -1.26 -4.52 105.19 101.71 1wj4 n GLY 36 Ca 0.15 0.18 -0.42 0.00 0.00 0.00 0.00 46.02 45.94 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 -0.28 2.09 -3.79 -0.61 -5.35 -1.26 -4.98 119.36 105.17 1wj4 n ILE 37 Ca 0.00 -0.50 -0.05 0.00 -0.27 0.00 0.00 62.75 61.93 1wj4 n ILE 37 Cb 0.00 -1.79 -0.02 0.00 -1.74 0.00 0.00 39.64 36.10 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 -0.25 -0.20 -0.07 7.28 -4.77 -1.26 -5.05 116.67 112.35 1wj4 s ASP 38 Ca 0.55 -0.48 -0.06 0.00 -3.30 0.00 0.00 52.55 49.26 1wj4 s ASP 38 Cb -0.51 0.57 0.01 0.00 -1.09 0.00 0.00 42.92 41.90 1wj4 s ASP 38 CO 0.62 -1.06 0.11 0.55 0.70 0.00 0.00 175.17 176.09 1wj4 n VAL 39 N -0.47 -1.45 -1.32 2.11 3.14 -1.26 -4.47 118.33 114.60 1wj4 n VAL 39 Ca -0.05 0.22 0.17 0.00 -2.96 0.00 0.00 64.34 61.71 1wj4 n VAL 39 Cb 0.60 -1.82 -0.07 0.00 -1.06 0.00 0.00 33.84 31.49 1wj4 n VAL 39 CO 0.00 0.00 0.00 -3.20 -6.46 0.00 0.00 176.83 167.17 1wj4 n ASN 40 N 1.08 -7.68 0.00 6.55 2.85 -1.26 -4.90 115.26 111.90 1wj4 n ASN 40 Ca -0.01 1.09 0.00 0.00 -0.11 0.00 0.00 54.58 55.55 1wj4 n ASN 40 Cb 0.32 -4.39 0.00 0.00 1.24 0.00 0.00 39.78 36.96 1wj4 n ASN 40 CO 0.00 0.00 0.00 0.61 -2.11 0.00 0.00 177.26 175.76 1wj4 n GLY 41 N -4.16 -2.76 3.76 8.20 0.00 -1.26 -4.89 105.19 104.08 1wj4 n GLY 41 Ca -0.05 -0.63 -0.40 0.00 0.00 0.00 0.00 46.02 44.94 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 0.00 4.59 1.17 1.61 0.04 -1.26 -4.73 135.00 136.42 1wj4 s PRO 42 Ca 0.00 1.73 -0.17 0.00 0.04 0.00 0.00 61.00 62.59 1wj4 s PRO 42 Cb 0.00 -3.10 0.20 0.00 0.04 0.00 0.00 34.50 31.64 1wj4 s PRO 42 CO 0.00 0.19 0.37 1.17 0.04 0.00 0.00 177.00 178.77 1wj4 n LYS 43 N 1.02 -2.44 -3.72 4.56 4.81 -1.26 -4.78 118.16 116.35 1wj4 n LYS 43 Ca -0.00 -0.70 -0.37 0.00 -0.87 0.00 0.00 58.31 56.36 1wj4 n LYS 43 Cb 0.46 -1.76 -0.12 0.00 0.02 0.00 0.00 35.03 33.62 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 -2.21 3.22 -0.30 3.14 0.00 0.59 -4.86 121.76 121.35 1wj4 s ALA 44 Ca 0.56 -1.20 -0.21 0.00 0.00 0.00 0.00 51.96 51.11 1wj4 s ALA 44 Cb -0.13 -2.19 -0.01 0.00 0.00 0.00 0.00 23.12 20.79 1wj4 s ALA 44 CO 0.58 -0.61 0.66 -0.65 0.00 0.00 0.00 175.76 175.73 1wj4 s GLN 45 N 1.62 3.95 -0.15 0.00 -0.21 -0.89 0.43 119.66 124.41 1wj4 s GLN 45 Ca 0.06 0.39 0.02 0.00 0.02 0.00 0.00 55.36 55.85 1wj4 s GLN 45 Cb -0.16 -3.71 0.02 0.00 1.00 0.00 0.00 33.01 30.15 1wj4 s GLN 45 CO 0.05 -0.56 -0.20 -0.51 -2.12 0.00 0.00 175.29 171.95 1wj4 s LEU 46 N 2.65 2.04 -0.15 2.90 2.01 0.41 -1.15 118.68 127.40 1wj4 s LEU 46 Ca 0.27 -0.60 -0.21 0.00 0.01 0.00 0.00 54.13 53.60 1wj4 s LEU 46 Cb -0.15 -1.40 -0.03 0.00 0.01 0.00 0.00 46.19 44.62 1wj4 s LEU 46 CO 0.11 0.03 0.62 -0.32 1.01 0.00 0.00 176.35 177.80 1wj4 s MET 47 N 1.07 4.30 -0.27 1.70 -2.45 -0.34 -0.94 119.30 122.37 1wj4 s MET 47 Ca -0.01 0.66 -0.12 0.00 -1.25 0.00 0.00 55.69 54.97 1wj4 s MET 47 Cb -0.14 -3.52 -0.05 0.00 1.25 0.00 0.00 34.83 32.38 1wj4 s MET 47 CO -0.07 -0.08 0.24 -0.51 1.05 0.00 0.00 175.02 175.64 1wj4 s LEU 48 N 1.37 4.04 -0.37 4.11 1.43 0.47 0.21 118.68 129.95 1wj4 s LEU 48 Ca 0.31 0.09 0.02 0.00 -1.03 0.00 0.00 54.13 53.51 1wj4 s LEU 48 Cb -0.16 -2.20 0.10 0.00 0.03 0.00 0.00 46.19 43.96 1wj4 s LEU 48 CO 0.12 -0.07 0.11 -0.13 0.23 0.00 0.00 176.35 176.61 1wj4 s ARG 49 N 1.75 1.66 0.61 1.70 1.81 0.30 0.20 118.95 126.98 1wj4 s ARG 49 Ca 0.09 -1.87 -0.14 0.00 -1.72 0.00 0.00 55.73 52.10 1wj4 s ARG 49 Cb -0.16 -3.34 -0.03 0.00 -0.45 0.00 0.00 34.95 30.97 1wj4 s ARG 49 CO 0.10 -0.99 1.04 0.71 -0.68 0.00 0.00 175.30 175.48 1wj4 s TYR 50 N 0.97 3.23 -0.97 -0.53 2.02 0.29 0.51 117.35 122.87 1wj4 s TYR 50 Ca 0.10 1.44 0.22 0.00 -0.37 0.00 0.00 57.07 58.46 1wj4 s TYR 50 Cb -0.20 -2.87 0.93 0.00 -0.40 0.00 0.00 41.96 39.41 1wj4 s TYR 50 CO -0.07 -0.93 1.70 -0.35 -1.57 0.00 0.00 175.55 174.34 1wj4 n PRO 51 N -2.41 0.02 -1.09 -1.71 -0.04 -1.26 -3.52 135.00 124.99 1wj4 n PRO 51 Ca 0.07 0.14 -0.18 0.00 -0.04 0.00 0.00 63.50 63.50 1wj4 n PRO 51 Cb 0.53 -1.53 -0.04 0.00 -0.04 0.00 0.00 33.50 32.43 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 -1.56 6.11 -1.84 3.54 8.00 -1.26 -4.73 116.55 124.80 1wj4 n ASP 52 Ca 0.05 -2.93 -0.02 0.00 0.71 0.00 0.00 54.79 52.59 1wj4 n ASP 52 Cb 0.26 -1.20 -0.01 0.00 -0.02 0.00 0.00 41.12 40.15 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 1.09 -0.16 3.35 0.44 0.00 -1.23 -4.86 105.19 103.81 1wj4 n GLY 53 Ca 0.36 0.00 -0.24 0.00 0.00 0.00 0.00 46.02 46.14 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 -3.73 1.30 0.29 1.61 -2.85 -1.23 -5.03 119.74 110.10 1wj4 s LYS 54 Ca 0.00 -1.37 0.02 0.00 -1.00 0.00 0.00 55.97 53.62 1wj4 s LYS 54 Cb 0.00 -1.50 -0.03 0.00 -2.06 0.00 0.00 37.83 34.24 1wj4 s LYS 54 CO 0.00 0.33 0.28 -0.98 0.10 0.00 0.00 175.35 175.08 1wj4 s ARG 55 N -2.49 1.61 -0.29 1.78 1.70 -1.26 0.11 118.95 120.11 1wj4 s ARG 55 Ca 0.14 -1.81 -0.16 0.00 -0.47 0.00 0.00 55.73 53.43 1wj4 s ARG 55 Cb -0.08 0.34 0.16 0.00 -0.57 0.00 0.00 34.95 34.80 1wj4 s ARG 55 CO 0.07 -0.60 1.02 -2.00 -1.08 0.00 0.00 175.30 172.71 1wj4 s GLU 56 N -3.61 0.31 -0.17 3.89 2.12 0.52 -4.91 118.70 116.84 1wj4 s GLU 56 Ca 0.37 0.59 -0.14 0.00 0.36 0.00 0.00 54.97 56.15 1wj4 s GLU 56 Cb 0.03 0.15 -0.04 0.00 0.26 0.00 0.00 34.13 34.53 1wj4 s GLU 56 CO 0.21 -0.07 0.32 -1.14 -0.54 0.00 0.00 175.26 174.03 1wj4 s GLN 57 N 1.59 4.23 0.24 4.30 0.74 -1.26 0.18 119.66 129.68 1wj4 s GLN 57 Ca -0.07 0.11 0.08 0.00 0.05 0.00 0.00 55.36 55.53 1wj4 s GLN 57 Cb -0.04 -3.46 -0.05 0.00 1.10 0.00 0.00 33.01 30.56 1wj4 s GLN 57 CO -0.15 0.16 -0.13 0.96 -0.55 0.00 0.00 175.29 175.58 1wj4 s ILE 58 N 0.71 1.83 -0.21 -2.34 -4.36 -0.11 -4.95 121.20 111.78 1wj4 s ILE 58 Ca 0.17 -2.22 0.01 0.00 -0.26 0.00 0.00 60.65 58.35 1wj4 s ILE 58 Cb -0.13 -2.20 0.05 0.00 1.25 0.00 0.00 42.46 41.42 1wj4 s ILE 58 CO 0.05 -0.48 -0.09 -0.89 0.24 0.00 0.00 174.94 173.77 1wj4 s THR 59 N -2.91 1.63 0.23 8.37 2.01 -1.26 -0.44 115.64 123.27 1wj4 s THR 59 Ca 0.26 -1.09 0.11 0.00 0.31 0.00 0.00 61.69 61.28 1wj4 s THR 59 Cb -0.00 -1.76 -0.05 0.00 0.01 0.00 0.00 72.50 70.70 1wj4 s THR 59 CO 0.10 0.09 -0.21 -0.76 -0.69 0.00 0.00 174.62 173.14 1wj4 s LEU 60 N 1.39 2.52 0.09 4.42 1.43 0.17 -4.87 118.68 123.82 1wj4 s LEU 60 Ca -0.03 -0.95 -0.30 0.00 -1.03 0.00 0.00 54.13 51.82 1wj4 s LEU 60 Cb -0.17 -1.06 -0.06 0.00 0.03 0.00 0.00 46.19 44.93 1wj4 s LEU 60 CO -0.07 0.04 1.15 -2.16 0.23 0.00 0.00 176.35 175.54 1wj4 s PRO 61 N -3.14 4.48 0.26 1.29 0.04 -1.26 0.22 135.00 136.89 1wj4 s PRO 61 Ca 0.25 1.73 -0.11 0.00 0.04 0.00 0.00 61.00 62.90 1wj4 s PRO 61 Cb -0.06 -3.34 0.38 0.00 0.04 0.00 0.00 34.50 31.52 1wj4 s PRO 61 CO 0.12 -0.15 1.57 0.93 0.04 0.00 0.00 177.00 179.50 1wj4 h GLU 62 N 6.32 -0.01 -0.75 4.56 5.08 -1.89 2.20 114.58 130.10 1wj4 h GLU 62 Ca -0.42 0.00 0.16 0.00 -1.00 0.00 0.00 59.36 58.10 1wj4 h GLU 62 Cb 1.21 0.00 -0.05 0.00 0.50 0.00 0.00 28.75 30.42 1wj4 h GLU 62 CO 0.78 -0.00 0.51 -0.56 -1.00 0.00 0.00 179.01 178.74 1wj4 h GLN 63 N -0.01 0.33 -5.94 2.33 3.07 -1.92 1.18 115.11 114.14 1wj4 h GLN 63 Ca 0.42 -0.02 -0.73 0.00 0.09 0.00 0.00 58.65 58.41 1wj4 h GLN 63 Cb 0.67 -0.07 0.08 0.00 0.08 0.00 0.00 27.48 28.23 1wj4 h GLN 63 CO -0.97 0.22 -0.19 0.00 0.09 0.00 0.00 178.83 177.97 1wj4 n ALA 64 N -2.55 -3.30 -1.77 0.06 0.00 0.74 -4.35 120.51 109.35 1wj4 n ALA 64 Ca 0.15 0.53 -0.40 0.00 0.00 0.00 0.00 53.44 53.72 1wj4 n ALA 64 Cb 0.59 -1.68 -0.03 0.00 0.00 0.00 0.00 19.45 18.33 1wj4 n ALA 64 CO 0.00 0.00 0.00 0.15 0.00 0.00 0.00 177.50 177.65 1wj4 s LYS 65 N -0.43 4.34 0.57 0.00 -0.14 -1.26 -0.45 119.74 122.38 1wj4 s LYS 65 Ca 0.79 1.94 0.33 0.00 -1.36 0.00 0.00 55.97 57.66 1wj4 s LYS 65 Cb -1.11 -2.96 1.43 0.00 -1.68 0.00 0.00 37.83 33.51 1wj4 s LYS 65 CO 0.56 -0.10 1.75 1.25 -0.76 0.00 0.00 175.35 178.05 1wj4 h LEU 66 N 3.25 0.00 -1.21 3.17 5.85 -1.18 1.93 115.31 127.13 1wj4 h LEU 66 Ca -0.48 0.00 -0.05 0.00 0.84 0.00 0.00 57.88 58.18 1wj4 h LEU 66 Cb 1.22 0.00 -0.02 0.00 0.37 0.00 0.00 40.66 42.24 1wj4 h LEU 66 CO 0.65 0.00 -0.03 0.25 -0.34 0.00 0.00 178.44 178.96 1wj4 h LEU 67 N 0.00 0.47 -0.61 2.25 5.85 -1.82 -2.29 115.31 119.16 1wj4 h LEU 67 Ca 0.45 -0.10 0.11 0.00 0.84 0.00 0.00 57.88 59.19 1wj4 h LEU 67 Cb 2.08 -0.12 -0.08 0.00 0.37 0.00 0.00 40.66 42.90 1wj4 h LEU 67 CO -0.00 0.57 0.15 0.00 -0.34 0.00 0.00 178.44 178.82 1wj4 h ALA 68 N 1.49 0.74 0.00 1.25 0.00 0.28 1.38 119.26 124.40 1wj4 h ALA 68 Ca 0.10 0.12 -0.09 0.00 0.00 0.00 0.00 54.91 55.04 1wj4 h ALA 68 Cb 0.37 0.15 -0.01 0.00 0.00 0.00 0.00 17.79 18.30 1wj4 h ALA 68 CO 0.01 -0.29 -0.44 1.25 0.00 0.00 0.00 179.25 179.79 1wj4 h LEU 69 N 0.29 0.00 -0.11 0.00 5.85 -1.48 -2.17 115.31 117.69 1wj4 h LEU 69 Ca 0.32 0.00 -0.08 0.00 0.84 0.00 0.00 57.88 58.96 1wj4 h LEU 69 Cb 0.47 0.00 0.00 0.00 0.37 0.00 0.00 40.66 41.50 1wj4 h LEU 69 CO -0.39 0.44 -0.22 0.58 -0.34 0.00 0.00 178.44 178.51 1wj4 h VAL 70 N 0.00 1.38 -0.88 1.05 2.07 0.33 -2.79 116.25 117.42 1wj4 h VAL 70 Ca -0.00 -1.50 0.06 0.00 0.82 0.00 0.00 66.70 66.07 1wj4 h VAL 70 Cb 0.81 2.09 -0.06 0.00 -1.52 0.00 0.00 31.29 32.61 1wj4 h VAL 70 CO 0.06 0.44 0.57 0.11 0.02 0.00 0.00 177.57 178.77 1wj4 h LYS 71 N -0.08 0.97 0.53 1.57 1.57 0.18 0.19 116.57 121.49 1wj4 h LYS 71 Ca 0.00 -0.06 -0.02 0.00 -1.87 0.00 0.00 60.65 58.70 1wj4 h LYS 71 Cb 0.81 -0.22 -0.01 0.00 0.08 0.00 0.00 32.23 32.90 1wj4 h LYS 71 CO 0.05 0.64 -0.39 1.25 -0.57 0.00 0.00 179.45 180.44 1wj4 h HIS 72 N 1.00 -1.04 0.00 -1.35 2.76 -1.30 0.29 115.15 115.50 1wj4 h HIS 72 Ca 0.37 -0.00 0.00 0.00 -2.20 0.00 0.00 60.37 58.54 1wj4 h HIS 72 Cb 0.19 0.39 0.00 0.00 1.55 0.00 0.00 27.41 29.53 1wj4 h HIS 72 CO -0.00 -0.55 0.00 0.28 -1.30 0.00 0.00 177.93 176.36 1wj4 h VAL 73 N -0.88 0.00 0.07 5.26 2.07 -1.20 0.22 116.25 121.79 1wj4 h VAL 73 Ca -0.07 -0.01 -0.00 0.00 0.82 0.00 0.00 66.70 67.44 1wj4 h VAL 73 Cb 0.72 0.92 0.00 0.00 -1.52 0.00 0.00 31.29 31.42 1wj4 h VAL 73 CO 0.03 0.00 -0.03 -0.61 0.02 0.00 0.00 177.57 176.98 1wj4 h GLN 74 N 0.00 -0.09 0.00 1.57 4.15 0.91 0.83 115.11 122.48 1wj4 h GLN 74 Ca 0.00 0.01 -0.11 0.00 0.77 0.00 0.00 58.65 59.32 1wj4 h GLN 74 Cb 0.01 0.02 -0.02 0.00 0.21 0.00 0.00 27.48 27.70 1wj4 h GLN 74 CO 0.00 0.46 -0.53 1.03 -1.93 0.00 0.00 178.83 177.86 1wj4 h SER 75 N -0.73 0.00 -0.51 -0.69 0.87 0.39 -3.03 113.55 109.85 1wj4 h SER 75 Ca -0.01 0.00 0.03 0.00 -1.23 0.00 0.00 61.79 60.58 1wj4 h SER 75 Cb 0.59 0.00 -0.04 0.00 -0.44 0.00 0.00 62.40 62.52 1wj4 h SER 75 CO 0.02 0.53 0.29 0.11 -0.53 0.00 0.00 176.83 177.24 1wj4 h LYS 76 N 0.00 0.56 0.00 2.24 1.79 -0.64 -3.45 116.57 117.07 1wj4 h LYS 76 Ca -0.01 -0.03 0.00 0.00 -2.18 0.00 0.00 60.65 58.43 1wj4 h LYS 76 Cb 1.01 -0.13 0.00 0.00 -1.58 0.00 0.00 32.23 31.54 1wj4 h LYS 76 CO 0.07 0.37 0.00 0.41 -1.08 0.00 0.00 179.45 179.22 1wj4 n GLY 77 N -1.24 0.00 3.15 3.86 0.00 -1.07 -5.08 105.19 104.80 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 -1.73 -0.02 1.61 1.51 0.26 -5.01 117.35 113.98 1wj4 s TYR 78 Ca 0.00 0.95 -0.30 0.00 -1.01 0.00 0.00 57.07 56.71 1wj4 s TYR 78 Cb 0.00 0.30 -0.04 0.00 -0.11 0.00 0.00 41.96 42.11 1wj4 s TYR 78 CO 0.00 -1.02 1.20 -1.25 -1.11 0.00 0.00 175.55 173.37 1wj4 s PRO 79 N 2.77 4.38 0.09 -1.71 0.04 -1.26 -2.97 135.00 136.33 1wj4 s PRO 79 Ca 0.12 1.70 -0.17 0.00 0.04 0.00 0.00 61.00 62.70 1wj4 s PRO 79 Cb -0.09 -3.50 -0.04 0.00 0.04 0.00 0.00 34.50 30.92 1wj4 s PRO 79 CO -0.24 -0.38 1.28 -1.71 0.04 0.00 0.00 177.00 175.98 1wj4 n ASN 80 N 4.80 -0.56 -0.42 6.66 5.15 -1.24 0.20 115.26 129.84 1wj4 n ASN 80 Ca 0.10 1.41 0.34 0.00 -0.60 0.00 0.00 54.58 55.83 1wj4 n ASN 80 Cb 0.46 -0.35 0.56 0.00 -0.53 0.00 0.00 39.78 39.92 1wj4 n ASN 80 CO 0.00 0.00 0.00 -1.84 1.40 0.00 0.00 177.26 176.82 1wj4 n GLU 81 N -4.20 -0.02 0.00 1.20 0.28 -1.26 -2.16 120.64 114.48 1wj4 n GLU 81 Ca 0.01 0.93 0.00 0.00 -0.16 0.00 0.00 57.16 57.94 1wj4 n GLU 81 Cb 0.14 -1.92 0.00 0.00 1.43 0.00 0.00 31.44 31.09 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 -4.03 0.00 -3.19 3.44 1.74 0.52 -4.77 116.66 110.37 1wj4 n ARG 82 Ca 0.32 0.03 -0.39 0.00 -0.77 0.00 0.00 57.85 57.04 1wj4 n ARG 82 Cb 1.31 -0.30 -0.06 0.00 -1.02 0.00 0.00 32.46 32.40 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 -0.11 3.78 0.03 -1.55 0.08 0.12 -1.10 117.98 119.23 1wj4 s PHE 83 Ca 0.00 1.32 0.01 0.00 0.12 0.00 0.00 56.93 58.37 1wj4 s PHE 83 Cb 0.00 -2.60 -0.04 0.00 -0.57 0.00 0.00 43.02 39.81 1wj4 s PHE 83 CO 0.00 0.47 0.09 -1.83 -0.10 0.00 0.00 175.22 173.85 1wj4 s GLU 84 N -0.72 3.02 -0.18 0.44 -1.05 0.52 -3.65 118.70 117.07 1wj4 s GLU 84 Ca 0.31 -0.55 -0.14 0.00 -0.15 0.00 0.00 54.97 54.44 1wj4 s GLU 84 Cb -0.20 -2.82 -0.04 0.00 -0.44 0.00 0.00 34.13 30.63 1wj4 s GLU 84 CO 0.20 0.62 0.32 -0.51 0.95 0.00 0.00 175.26 176.84 1wj4 s LEU 85 N -1.99 4.20 0.46 1.83 1.43 -1.26 -0.14 118.68 123.21 1wj4 s LEU 85 Ca 0.26 0.48 0.06 0.00 -1.03 0.00 0.00 54.13 53.90 1wj4 s LEU 85 Cb -0.12 -2.40 -0.02 0.00 0.03 0.00 0.00 46.19 43.68 1wj4 s LEU 85 CO 0.17 0.03 0.27 -0.76 0.23 0.00 0.00 176.35 176.30 1wj4 s LEU 86 N 0.82 2.99 0.00 1.79 1.43 0.38 0.05 118.68 126.14 1wj4 s LEU 86 Ca 0.17 -1.10 0.02 0.00 -1.03 0.00 0.00 54.13 52.18 1wj4 s LEU 86 Cb -0.14 -1.44 0.02 0.00 0.03 0.00 0.00 46.19 44.67 1wj4 s LEU 86 CO 0.05 -0.75 0.17 0.35 0.23 0.00 0.00 176.35 176.40 1wj4 n THR 87 N -1.45 0.00 -0.09 5.49 -2.24 -1.14 -0.01 114.28 114.84 1wj4 n THR 87 Ca -0.02 -1.16 -0.18 0.00 -2.27 0.00 0.00 64.05 60.42 1wj4 n THR 87 Cb 0.64 -0.15 -0.11 0.00 -2.10 0.00 0.00 70.33 68.61 1wj4 n THR 87 CO 0.00 0.00 0.00 -1.13 -0.57 0.00 0.00 175.07 173.37 1wj4 h ASN 88 N 0.40 0.00 -2.13 3.42 -0.73 -1.85 -3.43 115.58 111.26 1wj4 h ASN 88 Ca -0.19 -0.65 0.20 0.00 1.87 0.00 0.00 56.30 57.53 1wj4 h ASN 88 Cb 0.67 0.00 -0.33 0.00 0.27 0.00 0.00 38.32 38.93 1wj4 h ASN 88 CO 0.30 1.27 0.79 0.72 -0.37 0.00 0.00 177.43 180.14 1wj4 s PHE 89 N -2.29 -0.08 0.67 0.67 -0.71 -1.26 -4.44 117.98 110.53 1wj4 s PHE 89 Ca -0.24 0.18 -0.12 0.00 -1.04 0.00 0.00 56.93 55.71 1wj4 s PHE 89 Cb 0.02 0.25 -0.00 0.00 -1.21 0.00 0.00 43.02 42.08 1wj4 s PHE 89 CO 0.60 -0.04 1.06 -1.25 -1.34 0.00 0.00 175.22 174.24 1wj4 s PRO 90 N 0.60 3.05 -0.30 1.99 0.04 -1.26 -5.03 135.00 134.09 1wj4 s PRO 90 Ca -0.01 1.01 -0.28 0.00 0.04 0.00 0.00 61.00 61.75 1wj4 s PRO 90 Cb -0.03 -2.00 -0.06 0.00 0.04 0.00 0.00 34.50 32.44 1wj4 s PRO 90 CO -0.12 -1.01 2.28 -2.13 0.04 0.00 0.00 177.00 176.05 1wj4 n ARG 91 N -2.85 1.66 -4.13 4.56 0.00 -1.26 -4.73 116.66 109.90 1wj4 n ARG 91 Ca 0.08 0.38 -0.23 0.00 -0.00 0.00 0.00 57.85 58.08 1wj4 n ARG 91 Cb 0.53 -3.22 -0.17 0.00 0.00 0.00 0.00 32.46 29.61 1wj4 n ARG 91 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 177.63 178.13 1wj4 s ARG 92 N 6.85 1.13 -0.85 -0.14 3.52 -1.26 -4.98 118.95 123.22 1wj4 s ARG 92 Ca 1.01 -0.17 -0.25 0.00 -0.13 0.00 0.00 55.73 56.20 1wj4 s ARG 92 Cb -0.34 -1.15 0.01 0.00 -1.56 0.00 0.00 34.95 31.91 1wj4 s ARG 92 CO 0.34 -0.14 1.56 0.15 -0.81 0.00 0.00 175.30 176.41 1wj4 s LYS 93 N 1.21 3.11 -0.83 5.12 3.01 -1.26 -2.86 119.74 127.24 1wj4 s LYS 93 Ca -0.06 -0.42 -0.23 0.00 -1.01 0.00 0.00 55.97 54.25 1wj4 s LYS 93 Cb -0.14 -4.80 -0.20 0.00 -1.01 0.00 0.00 37.83 31.68 1wj4 s LYS 93 CO -0.02 -2.51 2.43 1.28 0.51 0.00 0.00 175.35 177.04 1wj4 n LEU 94 N 10.65 0.65 0.00 3.17 4.77 0.11 -2.55 117.00 133.80 1wj4 n LEU 94 Ca 0.24 -0.56 0.00 0.00 -0.03 0.00 0.00 56.01 55.66 1wj4 n LEU 94 Cb 0.50 -1.15 0.00 0.00 -2.33 0.00 0.00 43.42 40.44 1wj4 n LEU 94 CO 0.67 -1.55 0.00 -0.24 -1.33 0.00 0.00 177.39 174.94 1wj4 n SER 95 N 12.37 0.00 -0.21 -1.43 2.88 -1.26 -4.39 113.62 121.58 1wj4 n SER 95 Ca 0.55 0.00 -0.09 0.00 -1.33 0.00 0.00 58.87 58.01 1wj4 n SER 95 Cb 0.27 0.00 -0.04 0.00 -0.75 0.00 0.00 64.21 63.69 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 -1.30 0.00 0.66 2.07 -1.92 -3.14 115.15 111.52 1wj4 h HIS 96 Ca 0.00 0.08 0.00 0.00 -2.85 0.00 0.00 60.37 57.60 1wj4 h HIS 96 Cb 0.00 0.65 0.00 0.00 2.57 0.00 0.00 27.41 30.63 1wj4 h HIS 96 CO 0.00 -0.43 0.00 1.47 -3.07 0.00 0.00 177.93 175.90 1wj4 n LEU 97 N -5.40 0.00 -3.65 6.12 -0.00 -1.26 -4.95 117.00 107.86 1wj4 n LEU 97 Ca 0.01 0.00 -0.02 0.00 -0.00 0.00 0.00 56.01 56.01 1wj4 n LEU 97 Cb 0.35 0.00 -0.04 0.00 -0.00 0.00 0.00 43.42 43.72 1wj4 n LEU 97 CO -0.01 0.00 1.17 -1.81 -0.00 0.00 0.00 177.39 176.74 1wj4 s ASP 98 N -2.86 -0.03 0.00 1.45 1.11 -1.19 -5.02 116.67 110.14 1wj4 s ASP 98 Ca 0.00 0.04 0.22 0.00 0.18 0.00 0.00 52.55 52.99 1wj4 s ASP 98 Cb 0.00 0.03 0.55 0.00 1.07 0.00 0.00 42.92 44.57 1wj4 s ASP 98 CO 0.00 -0.02 1.46 -1.22 1.18 0.00 0.00 175.17 176.56 1wj4 n TYR 99 N 0.66 0.33 0.96 4.23 4.02 -1.26 -3.74 117.16 122.36 1wj4 n TYR 99 Ca -0.01 -0.16 0.10 0.00 -0.01 0.00 0.00 57.90 57.82 1wj4 n TYR 99 Cb 0.59 0.00 -0.06 0.00 -0.02 0.00 0.00 39.34 39.84 1wj4 n TYR 99 CO 0.00 0.00 0.00 -3.47 -1.01 0.00 0.00 176.86 172.38 1wj4 n ASP 100 N 0.96 0.88 -4.85 7.72 2.03 -1.26 -3.14 116.55 118.90 1wj4 n ASP 100 Ca 0.18 -0.84 -0.29 0.00 0.52 0.00 0.00 54.79 54.36 1wj4 n ASP 100 Cb 0.48 0.91 0.10 0.00 -0.72 0.00 0.00 41.12 41.89 1wj4 n ASP 100 CO 0.00 0.00 0.00 0.27 -1.92 0.00 0.00 177.20 175.55 1wj4 s ILE 101 N -3.02 2.37 0.23 5.18 -4.36 -1.24 -4.83 121.20 115.52 1wj4 s ILE 101 Ca 0.08 0.12 -0.03 0.00 -0.26 0.00 0.00 60.65 60.56 1wj4 s ILE 101 Cb 0.16 -3.02 -0.05 0.00 1.25 0.00 0.00 42.46 40.81 1wj4 s ILE 101 CO 0.84 -0.16 0.46 0.42 0.24 0.00 0.00 174.94 176.75 1wj4 s THR 102 N -3.41 5.12 0.58 8.37 -4.23 -1.26 -1.11 115.64 119.70 1wj4 s THR 102 Ca 0.62 -0.13 0.38 0.00 -1.18 0.00 0.00 61.69 61.37 1wj4 s THR 102 Cb -0.12 -3.72 0.55 0.00 1.34 0.00 0.00 72.50 70.55 1wj4 s THR 102 CO 0.51 -0.21 1.53 -0.07 -0.54 0.00 0.00 174.62 175.84 1wj4 h LEU 103 N 1.96 0.00 0.10 4.79 4.07 0.42 0.92 115.31 127.57 1wj4 h LEU 103 Ca -0.48 0.00 -0.00 0.00 0.08 0.00 0.00 57.88 57.48 1wj4 h LEU 103 Cb 1.19 0.00 0.00 0.00 1.08 0.00 0.00 40.66 42.93 1wj4 h LEU 103 CO 0.68 0.00 -0.05 -0.61 -1.08 0.00 0.00 178.44 177.38 1wj4 h GLN 104 N 0.00 -0.13 -0.61 1.13 4.15 -1.84 -0.48 115.11 117.33 1wj4 h GLN 104 Ca 0.66 0.01 0.13 0.00 0.77 0.00 0.00 58.65 60.22 1wj4 h GLN 104 Cb 3.05 0.03 -0.11 0.00 0.21 0.00 0.00 27.48 30.65 1wj4 h GLN 104 CO -0.01 0.38 -0.07 0.93 -1.93 0.00 0.00 178.83 178.14 1wj4 h GLU 105 N -0.87 0.06 0.00 1.69 4.39 0.50 1.48 114.58 121.83 1wj4 h GLU 105 Ca -0.01 -0.00 0.00 0.00 0.34 0.00 0.00 59.36 59.68 1wj4 h GLU 105 Cb 0.57 -0.01 0.00 0.00 -0.10 0.00 0.00 28.75 29.21 1wj4 h GLU 105 CO 0.02 0.04 0.21 0.00 -1.16 0.00 0.00 179.01 178.12 1wj4 h ALA 106 N 1.58 1.21 0.00 3.43 0.00 -1.36 -3.45 119.26 120.68 1wj4 h ALA 106 Ca 0.31 0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.22 1wj4 h ALA 106 Cb 0.50 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.29 1wj4 h ALA 106 CO -0.57 -0.21 0.00 0.41 0.00 0.00 0.00 179.25 178.88 1wj4 n GLY 107 N -1.17 0.81 0.12 0.00 0.00 0.51 -4.98 105.19 100.48 1wj4 n GLY 107 Ca -0.02 -0.65 -0.22 0.00 0.00 0.00 0.00 46.02 45.13 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 0.00 2.27 -4.59 0.99 4.77 -0.23 -4.93 117.00 115.27 1wj4 n LEU 108 Ca 0.00 0.29 -0.38 0.00 -0.03 0.00 0.00 56.01 55.90 1wj4 n LEU 108 Cb 0.29 -1.02 0.05 0.00 -2.33 0.00 0.00 43.42 40.41 1wj4 n LEU 108 CO 0.00 0.59 0.45 0.00 -1.33 0.00 0.00 177.39 177.10 1wj4 h PRO 110 N 0.40 0.30 -3.41 0.00 0.13 -1.94 -3.47 132.00 124.01 1wj4 h PRO 110 Ca -0.48 -0.29 -0.25 0.00 -0.87 0.00 0.00 66.00 64.11 1wj4 h PRO 110 Cb 1.37 0.08 -0.31 0.00 0.13 0.00 0.00 31.00 32.27 1wj4 h PRO 110 CO 0.50 0.98 -0.64 1.14 -0.23 0.00 0.00 178.00 179.75 1wj4 s GLN 111 N -3.37 0.06 0.16 0.86 1.03 -0.93 -2.09 119.66 115.38 1wj4 s GLN 111 Ca -0.04 0.24 -0.00 0.00 0.04 0.00 0.00 55.36 55.59 1wj4 s GLN 111 Cb 0.10 -0.12 -0.04 0.00 0.03 0.00 0.00 33.01 32.98 1wj4 s GLN 111 CO 0.84 -0.11 0.06 -2.00 -2.54 0.00 0.00 175.29 171.54 1wj4 s GLU 112 N 0.77 1.04 -0.38 9.60 2.56 -0.30 -4.96 118.70 127.03 1wj4 s GLU 112 Ca -0.06 -1.51 -0.09 0.00 0.00 0.00 0.00 54.97 53.31 1wj4 s GLU 112 Cb -0.08 0.13 0.05 0.00 2.00 0.00 0.00 34.13 36.23 1wj4 s GLU 112 CO -0.03 -0.27 0.19 0.99 -0.56 0.00 0.00 175.26 175.58 1wj4 s THR 113 N -3.99 4.15 -0.33 -1.70 2.01 -1.26 -1.20 115.64 113.32 1wj4 s THR 113 Ca 0.28 -1.16 -0.20 0.00 0.31 0.00 0.00 61.69 60.92 1wj4 s THR 113 Cb 0.07 -3.41 -0.00 0.00 0.01 0.00 0.00 72.50 69.17 1wj4 s THR 113 CO 0.05 -0.31 0.63 -0.69 -0.69 0.00 0.00 174.62 173.61 1wj4 s VAL 114 N 1.45 4.92 -0.18 3.82 1.01 0.56 -2.43 120.40 129.55 1wj4 s VAL 114 Ca 0.01 0.73 -0.06 0.00 0.00 0.00 0.00 61.98 62.65 1wj4 s VAL 114 Cb -0.21 -4.03 -0.04 0.00 0.00 0.00 0.00 36.38 32.10 1wj4 s VAL 114 CO 0.04 -0.22 0.04 -0.36 0.00 0.00 0.00 175.10 174.59 1wj4 s PHE 115 N 2.65 3.18 0.07 5.22 0.40 0.98 -0.54 117.98 129.94 1wj4 s PHE 115 Ca 0.25 -0.05 -0.25 0.00 -0.60 0.00 0.00 56.93 56.27 1wj4 s PHE 115 Cb -0.15 -2.06 -0.06 0.00 0.51 0.00 0.00 43.02 41.26 1wj4 s PHE 115 CO 0.13 0.07 0.78 0.08 0.70 0.00 0.00 175.22 176.98 1wj4 s VAL 116 N 0.46 4.66 0.01 -0.44 1.01 0.18 0.14 120.40 126.42 1wj4 s VAL 116 Ca 0.01 1.67 -0.08 0.00 0.00 0.00 0.00 61.98 63.58 1wj4 s VAL 116 Cb -0.13 -4.13 0.00 0.00 0.00 0.00 0.00 36.38 32.12 1wj4 s VAL 116 CO 0.01 0.39 0.16 -1.58 0.00 0.00 0.00 175.10 174.08 1wj4 s GLN 117 N -0.23 0.54 -0.06 2.72 0.74 0.80 -4.09 119.66 120.09 1wj4 s GLN 117 Ca 0.39 -0.45 -0.30 0.00 0.05 0.00 0.00 55.36 55.05 1wj4 s GLN 117 Cb -0.21 0.23 -0.03 0.00 1.10 0.00 0.00 33.01 34.09 1wj4 s GLN 117 CO 0.24 -0.14 1.27 -2.00 -0.55 0.00 0.00 175.29 174.11 1wj4 s GLU 118 N -1.67 4.31 0.47 1.67 2.12 -1.26 0.19 118.70 124.53 1wj4 s GLU 118 Ca -0.12 1.75 -0.18 0.00 0.36 0.00 0.00 54.97 56.78 1wj4 s GLU 118 Cb -0.06 -3.61 -0.09 0.00 0.26 0.00 0.00 34.13 30.63 1wj4 s GLU 118 CO 0.01 -0.53 0.95 0.45 -0.54 0.00 0.00 175.26 175.59 1wj4 s SER 119 N 1.70 6.74 0.00 -1.70 0.15 -0.25 -4.76 113.70 115.57 1wj4 s SER 119 Ca 0.58 1.57 0.00 0.00 0.70 0.00 0.00 55.95 58.80 1wj4 s SER 119 Cb -0.26 -2.50 0.00 0.00 -1.71 0.00 0.00 66.02 61.55 1wj4 s SER 119 CO 0.22 -0.47 0.00 0.61 1.20 0.00 0.00 173.24 174.79 1wj4 n GLY 120 N -1.16 -1.34 3.64 9.45 0.00 -1.26 -4.88 105.19 109.64 1wj4 n GLY 120 Ca 0.06 -1.18 -0.43 0.00 0.00 0.00 0.00 46.02 44.47 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 0.00 4.02 0.74 1.61 0.04 -1.26 -5.01 135.00 135.13 1wj4 s PRO 121 Ca 0.00 1.44 -0.08 0.00 0.04 0.00 0.00 61.00 62.39 1wj4 s PRO 121 Cb 0.00 -3.85 0.06 0.00 0.04 0.00 0.00 34.50 30.75 1wj4 s PRO 121 CO 0.00 -0.99 1.07 -1.54 0.04 0.00 0.00 177.00 175.58 1wj4 s SER 122 N 2.64 4.75 -0.10 6.66 1.04 -1.26 -5.08 113.70 122.35 1wj4 s SER 122 Ca 0.57 0.59 0.02 0.00 0.48 0.00 0.00 55.95 57.61 1wj4 s SER 122 Cb -0.19 -1.20 -0.02 0.00 0.10 0.00 0.00 66.02 64.72 1wj4 s SER 122 CO 0.21 -1.68 -0.16 -0.94 0.98 0.00 0.00 173.24 171.65 1wj4 s SER 123 N -4.53 3.81 0.00 7.02 1.04 -1.26 -5.23 113.70 114.56 1wj4 s SER 123 Ca 0.61 -0.34 0.00 0.00 0.48 0.00 0.00 55.95 56.70 1wj4 s SER 123 Cb -0.11 -1.30 0.00 0.00 0.10 0.00 0.00 66.02 64.72 1wj4 s SER 123 CO 0.46 0.22 0.00 0.61 0.98 0.00 0.00 173.24 175.52