#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 -0.02 0.29 1.61 0.15 -1.26 -5.19 113.70 109.28 1wj4 s SER 2 Ca 0.00 -0.96 -0.14 0.00 0.70 0.00 0.00 55.95 55.55 1wj4 s SER 2 Cb 0.00 0.62 0.01 0.00 -1.71 0.00 0.00 66.02 64.94 1wj4 s SER 2 CO 0.00 -1.19 0.59 -0.55 1.20 0.00 0.00 173.24 173.29 1wj4 s SER 3 N -3.03 -0.01 0.00 5.45 0.15 -1.26 -5.19 113.70 109.82 1wj4 s SER 3 Ca 0.22 -0.94 0.00 0.00 0.70 0.00 0.00 55.95 55.93 1wj4 s SER 3 Cb -0.01 0.67 0.00 0.00 -1.71 0.00 0.00 66.02 64.97 1wj4 s SER 3 CO 0.10 -1.30 0.00 0.61 1.20 0.00 0.00 173.24 173.85 1wj4 n GLY 4 N -0.45 6.52 3.76 9.45 0.00 -1.26 -5.18 105.19 118.03 1wj4 n GLY 4 Ca -0.03 -1.81 -0.01 0.00 0.00 0.00 0.00 46.02 44.17 1wj4 n GLY 4 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 1wj4 s SER 5 N 1.00 -0.08 0.29 1.61 0.15 -1.26 -5.19 113.70 110.21 1wj4 s SER 5 Ca 0.00 -0.37 -0.06 0.00 0.70 0.00 0.00 55.95 56.22 1wj4 s SER 5 Cb 0.00 0.37 -0.01 0.00 -1.71 0.00 0.00 66.02 64.67 1wj4 s SER 5 CO 0.00 -0.70 0.42 -0.44 1.20 0.00 0.00 173.24 173.72 1wj4 s SER 6 N -3.13 0.46 0.00 5.45 0.01 -1.26 -5.19 113.70 110.05 1wj4 s SER 6 Ca 0.16 -1.29 0.00 0.00 1.31 0.00 0.00 55.95 56.14 1wj4 s SER 6 Cb 0.00 0.59 0.00 0.00 0.21 0.00 0.00 66.02 66.82 1wj4 s SER 6 CO 0.01 -1.17 0.00 0.61 0.41 0.00 0.00 173.24 173.10 1wj4 n GLY 7 N -0.46 4.64 3.74 3.44 0.00 -1.26 -5.19 105.19 110.11 1wj4 n GLY 7 Ca 0.00 -1.62 -0.01 0.00 0.00 0.00 0.00 46.02 44.38 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 -1.43 0.00 0.43 2.61 -1.32 -1.26 -5.19 115.64 109.48 1wj4 s THR 8 Ca 0.00 -0.49 0.03 0.00 -1.21 0.00 0.00 61.69 60.03 1wj4 s THR 8 Cb 0.00 -2.16 -0.03 0.00 -1.51 0.00 0.00 72.50 68.80 1wj4 s THR 8 CO 0.00 0.00 0.09 0.00 -2.21 0.00 0.00 174.62 172.50 1wj4 s ALA 9 N -2.79 3.19 -0.29 11.08 0.00 -1.26 -5.16 121.76 126.53 1wj4 s ALA 9 Ca 0.15 -1.12 -0.17 0.00 0.00 0.00 0.00 51.96 50.82 1wj4 s ALA 9 Cb 0.01 0.54 0.14 0.00 0.00 0.00 0.00 23.12 23.81 1wj4 s ALA 9 CO 0.01 -0.25 0.96 -0.08 0.00 0.00 0.00 175.76 176.39 1wj4 s THR 10 N -3.12 0.00 0.94 0.00 -1.32 -1.26 -5.16 115.64 105.72 1wj4 s THR 10 Ca 0.21 0.00 -0.11 0.00 -1.21 0.00 0.00 61.69 60.58 1wj4 s THR 10 Cb 0.03 -1.00 0.16 0.00 -1.51 0.00 0.00 72.50 70.18 1wj4 s THR 10 CO 0.12 0.00 1.10 0.54 -2.21 0.00 0.00 174.62 174.17 1wj4 s ASN 11 N 1.25 2.85 0.04 8.08 4.22 -1.26 -5.03 114.94 125.08 1wj4 s ASN 11 Ca -0.08 1.88 -0.27 0.00 -2.14 0.00 0.00 52.86 52.25 1wj4 s ASN 11 Cb -0.04 -2.44 0.09 0.00 1.28 0.00 0.00 41.25 40.14 1wj4 s ASN 11 CO -0.14 -3.09 1.22 -1.38 -2.04 0.00 0.00 177.10 171.66 1wj4 s HIS 12 N -2.70 0.03 0.16 1.54 -3.43 -1.26 -5.14 115.29 104.49 1wj4 s HIS 12 Ca 0.66 -0.22 0.00 0.00 -0.80 0.00 0.00 55.06 54.70 1wj4 s HIS 12 Cb -0.22 0.60 0.00 0.00 -1.43 0.00 0.00 32.58 31.53 1wj4 s HIS 12 CO 0.59 -0.44 0.00 0.94 -2.00 0.00 0.00 174.74 173.82 1wj4 n GLN 13 N -0.80 -3.95 0.00 -0.38 7.27 -1.26 -5.09 117.38 113.17 1wj4 n GLN 13 Ca 0.00 2.93 0.00 0.00 0.07 0.00 0.00 57.00 60.00 1wj4 n GLN 13 Cb 0.59 -3.02 0.00 0.00 2.41 0.00 0.00 30.24 30.23 1wj4 n GLN 13 CO 0.00 0.00 0.00 0.41 0.07 0.00 0.00 177.06 177.54 1wj4 n GLY 14 N 1.22 -0.85 3.43 1.69 0.00 -1.26 -5.19 105.19 104.24 1wj4 n GLY 14 Ca 0.00 0.76 -0.16 0.00 0.00 0.00 0.00 46.02 46.63 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 -0.25 0.00 0.99 1.02 -1.26 -5.18 118.68 114.01 1wj4 s LEU 15 Ca 0.00 0.42 0.00 0.00 0.02 0.00 0.00 54.13 54.57 1wj4 s LEU 15 Cb 0.00 2.22 0.00 0.00 0.02 0.00 0.00 46.19 48.43 1wj4 s LEU 15 CO 0.00 -0.63 0.00 -0.81 0.02 0.00 0.00 176.35 174.93 1wj4 n PRO 16 N 0.75 0.25 -4.30 1.29 -0.04 -1.26 -5.11 135.00 126.59 1wj4 n PRO 16 Ca -0.19 0.00 -0.16 0.00 -0.04 0.00 0.00 63.50 63.11 1wj4 n PRO 16 Cb 0.58 0.00 -0.10 0.00 -0.04 0.00 0.00 33.50 33.94 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 1.64 -0.08 0.55 0.00 -1.26 -5.15 121.76 113.95 1wj4 s ALA 17 Ca 0.00 -1.84 -0.01 0.00 0.00 0.00 0.00 51.96 50.11 1wj4 s ALA 17 Cb 0.00 1.11 0.03 0.00 0.00 0.00 0.00 23.12 24.26 1wj4 s ALA 17 CO 0.00 -0.48 -0.03 0.08 0.00 0.00 0.00 175.76 175.33 1wj4 s VAL 18 N -3.82 0.62 0.39 0.00 1.01 -1.26 -5.14 120.40 112.19 1wj4 s VAL 18 Ca 0.38 -0.04 0.08 0.00 0.00 0.00 0.00 61.98 62.39 1wj4 s VAL 18 Cb 0.08 -0.72 -0.01 0.00 0.00 0.00 0.00 36.38 35.73 1wj4 s VAL 18 CO 0.13 0.30 0.45 -0.62 0.00 0.00 0.00 175.10 175.36 1wj4 s ASP 19 N 1.78 5.49 0.81 3.32 -1.08 -1.26 -5.12 116.67 120.61 1wj4 s ASP 19 Ca 0.03 -0.48 -0.08 0.00 -0.52 0.00 0.00 52.55 51.50 1wj4 s ASP 19 Cb -0.13 -0.80 0.14 0.00 -1.46 0.00 0.00 42.92 40.67 1wj4 s ASP 19 CO -0.06 -0.60 1.13 -0.44 0.52 0.00 0.00 175.17 175.73 1wj4 s SER 20 N -4.19 3.99 0.00 -0.34 0.01 -1.26 -5.03 113.70 106.87 1wj4 s SER 20 Ca 0.49 0.11 0.00 0.00 1.31 0.00 0.00 55.95 57.86 1wj4 s SER 20 Cb -0.07 -0.43 0.00 0.00 0.21 0.00 0.00 66.02 65.73 1wj4 s SER 20 CO 0.30 -2.14 0.00 -1.84 0.41 0.00 0.00 173.24 169.97 1wj4 n GLU 21 N -3.23 0.00 -3.63 12.44 0.28 -1.26 -5.10 120.64 120.14 1wj4 n GLU 21 Ca 0.13 0.00 -0.35 0.00 -0.16 0.00 0.00 57.16 56.78 1wj4 n GLU 21 Cb 0.60 -0.02 -0.05 0.00 1.43 0.00 0.00 31.44 33.39 1wj4 n GLU 21 CO 0.00 0.00 0.00 0.42 -0.16 0.00 0.00 177.13 177.39 1wj4 s ILE 22 N -1.93 5.15 0.49 3.84 -1.09 -1.26 -5.10 121.20 121.30 1wj4 s ILE 22 Ca 0.00 0.41 0.04 0.00 -2.23 0.00 0.00 60.65 58.86 1wj4 s ILE 22 Cb 0.00 -3.62 0.02 0.00 -1.58 0.00 0.00 42.46 37.28 1wj4 s ILE 22 CO 0.00 0.35 0.68 -0.76 -1.23 0.00 0.00 174.94 173.98 1wj4 s LEU 23 N -1.77 3.46 -0.38 2.97 2.01 -1.26 -5.06 118.68 118.66 1wj4 s LEU 23 Ca 0.30 -0.16 0.13 0.00 0.01 0.00 0.00 54.13 54.42 1wj4 s LEU 23 Cb -0.14 -2.80 0.39 0.00 0.01 0.00 0.00 46.19 43.65 1wj4 s LEU 23 CO 0.17 -0.96 0.86 -1.84 1.01 0.00 0.00 176.35 175.59 1wj4 n GLU 24 N -2.12 1.41 -1.65 1.70 0.28 -1.26 -5.10 120.64 113.90 1wj4 n GLU 24 Ca 0.07 -3.55 -0.54 0.00 -0.16 0.00 0.00 57.16 52.98 1wj4 n GLU 24 Cb 0.59 -1.63 -0.06 0.00 1.43 0.00 0.00 31.44 31.77 1wj4 n GLU 24 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 177.13 176.97 1wj4 n MET 25 N 0.06 1.18 -2.37 3.44 0.00 -1.26 -4.92 117.12 113.25 1wj4 n MET 25 Ca 0.21 0.43 -0.33 0.00 0.00 0.00 0.00 57.70 58.00 1wj4 n MET 25 Cb 0.69 -2.10 -0.02 0.00 0.00 0.00 0.00 33.22 31.79 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 2.01 3.65 0.91 3.17 0.04 -1.26 -5.06 135.00 138.47 1wj4 s PRO 26 Ca 0.91 1.29 -0.15 0.00 0.04 0.00 0.00 61.00 63.08 1wj4 s PRO 26 Cb -1.00 -2.08 0.22 0.00 0.04 0.00 0.00 34.50 31.68 1wj4 s PRO 26 CO 0.56 -0.55 1.01 -0.35 0.04 0.00 0.00 177.00 177.71 1wj4 n PRO 27 N -1.35 -1.91 -3.11 0.56 -0.04 -1.26 -5.09 135.00 122.81 1wj4 n PRO 27 Ca 0.09 -1.58 0.05 0.00 -0.04 0.00 0.00 63.50 62.02 1wj4 n PRO 27 Cb 0.53 -1.24 0.00 0.00 -0.04 0.00 0.00 33.50 32.75 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 -5.23 0.19 -0.05 0.54 2.02 -1.26 -5.04 118.70 109.86 1wj4 s GLU 28 Ca 0.61 0.14 -0.30 0.00 0.02 0.00 0.00 54.97 55.44 1wj4 s GLU 28 Cb -0.04 0.07 0.07 0.00 0.10 0.00 0.00 34.13 34.33 1wj4 s GLU 28 CO 0.44 -0.34 0.66 0.15 0.02 0.00 0.00 175.26 176.19 1wj4 s LYS 29 N 2.81 1.03 0.53 1.61 1.02 -1.26 -5.18 119.74 120.30 1wj4 s LYS 29 Ca 0.25 0.25 0.06 0.00 0.02 0.00 0.00 55.97 56.54 1wj4 s LYS 29 Cb -0.02 0.49 0.05 0.00 -0.52 0.00 0.00 37.83 37.83 1wj4 s LYS 29 CO -0.22 -0.32 0.73 0.00 -0.92 0.00 0.00 175.35 174.62 1wj4 s ALA 30 N -1.16 4.33 -0.28 5.17 0.00 -1.26 -5.08 121.76 123.48 1wj4 s ALA 30 Ca -0.11 -1.72 0.00 0.00 0.00 0.00 0.00 51.96 50.13 1wj4 s ALA 30 Cb -0.00 -1.73 0.15 0.00 0.00 0.00 0.00 23.12 21.53 1wj4 s ALA 30 CO 0.09 -0.68 0.38 0.16 0.00 0.00 0.00 175.76 175.71 1wj4 s ASP 31 N -4.50 0.60 0.42 0.00 -4.77 -1.26 -5.09 116.67 102.08 1wj4 s ASP 31 Ca 0.59 -0.31 0.00 0.00 -3.30 0.00 0.00 52.55 49.53 1wj4 s ASP 31 Cb -0.08 0.99 0.00 0.00 -1.09 0.00 0.00 42.92 42.73 1wj4 s ASP 31 CO 0.37 -0.35 0.00 0.61 0.70 0.00 0.00 175.17 176.50 1wj4 n GLY 32 N 5.35 -4.92 3.38 2.12 0.00 -1.26 -4.77 105.19 105.09 1wj4 n GLY 32 Ca -0.01 -0.52 -0.46 0.00 0.00 0.00 0.00 46.02 45.04 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 -2.42 5.29 -0.13 1.61 1.01 -1.26 -4.98 120.40 119.53 1wj4 s VAL 33 Ca 0.00 -2.22 -0.00 0.00 0.00 0.00 0.00 61.98 59.75 1wj4 s VAL 33 Cb 0.00 -4.61 0.03 0.00 0.00 0.00 0.00 36.38 31.79 1wj4 s VAL 33 CO 0.00 -1.24 -0.09 0.54 0.00 0.00 0.00 175.10 174.31 1wj4 s VAL 34 N 1.04 1.15 -0.09 2.92 0.11 -1.26 -5.12 120.40 119.16 1wj4 s VAL 34 Ca 0.25 -0.39 -0.01 0.00 -2.93 0.00 0.00 61.98 58.90 1wj4 s VAL 34 Cb -0.08 -1.16 -0.03 0.00 -1.53 0.00 0.00 36.38 33.58 1wj4 s VAL 34 CO -0.09 0.37 -0.04 -1.61 -3.33 0.00 0.00 175.10 170.40 1wj4 s GLU 35 N 1.65 2.97 -0.21 1.54 2.02 -1.26 -5.09 118.70 120.32 1wj4 s GLU 35 Ca 0.05 -0.50 -0.04 0.00 0.02 0.00 0.00 54.97 54.50 1wj4 s GLU 35 Cb -0.13 -2.70 0.07 0.00 0.10 0.00 0.00 34.13 31.47 1wj4 s GLU 35 CO -0.09 0.61 0.08 0.20 0.02 0.00 0.00 175.26 176.08 1wj4 s GLY 36 N -0.64 0.55 -0.25 -1.39 0.00 -1.26 -5.11 107.32 99.21 1wj4 s GLY 36 Ca 0.10 -0.66 -0.13 0.00 0.00 0.00 0.00 44.72 44.03 1wj4 s GLY 36 CO 0.02 1.67 0.26 -0.42 0.00 0.00 0.00 173.10 174.63 1wj4 s ILE 37 N 2.00 5.27 0.01 0.90 1.01 -1.26 -5.06 121.20 124.06 1wj4 s ILE 37 Ca 0.03 0.36 0.00 0.00 0.00 0.00 0.00 60.65 61.04 1wj4 s ILE 37 Cb -0.16 -3.60 -0.01 0.00 0.01 0.00 0.00 42.46 38.70 1wj4 s ILE 37 CO -0.14 0.25 -0.02 -1.81 0.00 0.00 0.00 174.94 173.22 1wj4 s ASP 38 N 1.41 0.17 -0.37 3.58 1.01 -1.26 -5.12 116.67 116.09 1wj4 s ASP 38 Ca 0.11 -0.15 -0.19 0.00 0.71 0.00 0.00 52.55 53.04 1wj4 s ASP 38 Cb -0.15 0.01 0.00 0.00 1.01 0.00 0.00 42.92 43.80 1wj4 s ASP 38 CO 0.08 -0.07 0.55 -0.69 0.21 0.00 0.00 175.17 175.26 1wj4 s VAL 39 N -0.40 4.97 -0.04 -1.27 1.01 -1.26 -4.81 120.40 118.61 1wj4 s VAL 39 Ca -0.04 0.28 -0.00 0.00 0.00 0.00 0.00 61.98 62.22 1wj4 s VAL 39 Cb -0.03 -4.03 0.03 0.00 0.00 0.00 0.00 36.38 32.35 1wj4 s VAL 39 CO -0.00 -0.32 0.01 0.21 0.00 0.00 0.00 175.10 174.99 1wj4 s ASN 40 N 1.81 0.72 0.10 3.32 2.47 -1.26 -5.10 114.94 117.00 1wj4 s ASN 40 Ca 0.20 -0.02 0.00 0.00 0.42 0.00 0.00 52.86 53.45 1wj4 s ASN 40 Cb -0.15 -0.25 0.00 0.00 -1.45 0.00 0.00 41.25 39.40 1wj4 s ASN 40 CO 0.15 -0.13 0.00 0.61 -3.72 0.00 0.00 177.10 174.00 1wj4 n GLY 41 N 4.45 1.02 3.73 1.21 0.00 -1.26 -4.39 105.19 109.94 1wj4 n GLY 41 Ca -0.20 -0.51 -0.41 0.00 0.00 0.00 0.00 46.02 44.90 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 4.54 0.80 1.61 0.04 -1.26 -5.04 135.00 135.68 1wj4 s PRO 42 Ca 0.00 1.74 -0.06 0.00 0.04 0.00 0.00 61.00 62.72 1wj4 s PRO 42 Cb 0.00 -3.30 0.15 0.00 0.04 0.00 0.00 34.50 31.39 1wj4 s PRO 42 CO 0.00 -0.04 1.10 0.21 0.04 0.00 0.00 177.00 178.31 1wj4 s LYS 43 N 0.06 1.35 -0.20 4.56 2.20 -1.26 -4.57 119.74 121.88 1wj4 s LYS 43 Ca 0.52 -0.88 -0.02 0.00 -0.36 0.00 0.00 55.97 55.23 1wj4 s LYS 43 Cb -0.29 -2.17 0.00 0.00 -1.51 0.00 0.00 37.83 33.85 1wj4 s LYS 43 CO 0.33 -1.76 -0.10 0.00 -0.36 0.00 0.00 175.35 173.46 1wj4 s ALA 44 N -3.38 2.63 -0.27 3.13 0.00 0.61 -4.85 121.76 119.62 1wj4 s ALA 44 Ca 0.69 -1.16 -0.21 0.00 0.00 0.00 0.00 51.96 51.27 1wj4 s ALA 44 Cb -0.05 -1.48 -0.01 0.00 0.00 0.00 0.00 23.12 21.58 1wj4 s ALA 44 CO 0.47 -0.34 0.68 -0.65 0.00 0.00 0.00 175.76 175.92 1wj4 s GLN 45 N 1.31 4.06 0.15 0.00 -0.21 -0.87 0.05 119.66 124.16 1wj4 s GLN 45 Ca 0.04 0.57 0.10 0.00 0.02 0.00 0.00 55.36 56.09 1wj4 s GLN 45 Cb -0.14 -3.67 -0.04 0.00 1.00 0.00 0.00 33.01 30.15 1wj4 s GLN 45 CO -0.06 -0.50 -0.19 -0.51 -2.12 0.00 0.00 175.29 171.92 1wj4 s LEU 46 N 2.64 2.65 -0.37 2.90 2.01 0.59 -1.63 118.68 127.47 1wj4 s LEU 46 Ca 0.28 -0.66 0.03 0.00 0.01 0.00 0.00 54.13 53.79 1wj4 s LEU 46 Cb -0.15 -1.44 0.11 0.00 0.01 0.00 0.00 46.19 44.72 1wj4 s LEU 46 CO 0.09 0.15 0.11 -0.32 1.01 0.00 0.00 176.35 177.40 1wj4 s MET 47 N -2.39 1.32 -0.09 1.70 1.75 -0.89 0.82 119.30 121.52 1wj4 s MET 47 Ca 0.19 -1.78 -0.30 0.00 -1.25 0.00 0.00 55.69 52.56 1wj4 s MET 47 Cb -0.10 -2.81 -0.04 0.00 2.84 0.00 0.00 34.83 34.72 1wj4 s MET 47 CO 0.11 -1.00 1.50 -0.51 -0.65 0.00 0.00 175.02 174.47 1wj4 s LEU 48 N 0.87 4.27 -0.39 4.11 2.01 0.58 -0.99 118.68 129.14 1wj4 s LEU 48 Ca 0.12 2.04 -0.02 0.00 0.01 0.00 0.00 54.13 56.28 1wj4 s LEU 48 Cb -0.20 -3.54 0.10 0.00 0.01 0.00 0.00 46.19 42.57 1wj4 s LEU 48 CO -0.11 -0.85 0.17 -0.13 1.01 0.00 0.00 176.35 176.44 1wj4 s ARG 49 N 3.73 1.96 0.64 1.70 1.81 0.16 0.15 118.95 129.10 1wj4 s ARG 49 Ca 0.66 -1.79 -0.14 0.00 -1.72 0.00 0.00 55.73 52.74 1wj4 s ARG 49 Cb -0.29 -3.50 -0.01 0.00 -0.45 0.00 0.00 34.95 30.69 1wj4 s ARG 49 CO 0.24 -1.02 1.06 0.71 -0.68 0.00 0.00 175.30 175.61 1wj4 s TYR 50 N 1.11 2.97 -1.90 -0.53 2.02 0.16 0.43 117.35 121.61 1wj4 s TYR 50 Ca 0.08 1.49 0.24 0.00 -0.37 0.00 0.00 57.07 58.50 1wj4 s TYR 50 Cb -0.22 -2.98 1.38 0.00 -0.40 0.00 0.00 41.96 39.74 1wj4 s TYR 50 CO -0.05 -1.24 1.79 -0.35 -1.57 0.00 0.00 175.55 174.13 1wj4 n PRO 51 N -2.51 0.67 -0.24 -1.71 -0.04 -1.25 -2.56 135.00 127.37 1wj4 n PRO 51 Ca 0.08 0.01 0.04 0.00 -0.04 0.00 0.00 63.50 63.60 1wj4 n PRO 51 Cb 0.53 -1.50 0.15 0.00 -0.04 0.00 0.00 33.50 32.64 1wj4 n PRO 51 CO 0.00 0.00 0.00 -3.47 -0.04 0.00 0.00 175.50 171.99 1wj4 n ASP 52 N -1.05 2.19 0.00 3.54 2.03 -1.26 -4.84 116.55 117.16 1wj4 n ASP 52 Ca 0.17 -2.15 0.00 0.00 0.52 0.00 0.00 54.79 53.33 1wj4 n ASP 52 Cb 0.10 -0.35 0.00 0.00 -0.72 0.00 0.00 41.12 40.15 1wj4 n ASP 52 CO 0.00 0.00 0.00 0.61 -1.92 0.00 0.00 177.20 175.89 1wj4 n GLY 53 N 0.72 0.70 3.83 0.27 0.00 -1.06 -4.99 105.19 104.67 1wj4 n GLY 53 Ca 0.11 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.79 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 -0.28 3.23 0.22 1.61 1.02 -1.24 -4.96 119.74 119.33 1wj4 s LYS 54 Ca 0.00 -0.39 0.03 0.00 0.02 0.00 0.00 55.97 55.64 1wj4 s LYS 54 Cb 0.00 -2.97 -0.05 0.00 -0.52 0.00 0.00 37.83 34.29 1wj4 s LYS 54 CO 0.00 0.67 -0.00 -0.98 -0.92 0.00 0.00 175.35 174.12 1wj4 s ARG 55 N -1.68 1.31 -0.18 1.68 1.70 -1.26 0.37 118.95 120.89 1wj4 s ARG 55 Ca 0.23 -1.66 -0.18 0.00 -0.47 0.00 0.00 55.73 53.66 1wj4 s ARG 55 Cb -0.12 -0.57 0.05 0.00 -0.57 0.00 0.00 34.95 33.73 1wj4 s ARG 55 CO 0.14 -0.10 0.51 -2.00 -1.08 0.00 0.00 175.30 172.76 1wj4 s GLU 56 N -3.87 0.61 0.01 3.89 2.12 0.39 -4.96 118.70 116.89 1wj4 s GLU 56 Ca 0.28 0.67 -0.04 0.00 0.36 0.00 0.00 54.97 56.24 1wj4 s GLU 56 Cb 0.06 0.29 -0.04 0.00 0.26 0.00 0.00 34.13 34.70 1wj4 s GLU 56 CO 0.08 -0.08 0.23 -1.14 -0.54 0.00 0.00 175.26 173.81 1wj4 s GLN 57 N 0.18 3.50 0.22 4.30 0.74 -1.26 0.22 119.66 127.55 1wj4 s GLN 57 Ca -0.01 -0.24 -0.05 0.00 0.05 0.00 0.00 55.36 55.11 1wj4 s GLN 57 Cb -0.03 -3.07 -0.03 0.00 1.10 0.00 0.00 33.01 30.98 1wj4 s GLN 57 CO 0.01 0.64 0.25 0.96 -0.55 0.00 0.00 175.29 176.61 1wj4 s ILE 58 N -1.36 0.00 -0.23 -2.34 -4.36 0.24 -4.93 121.20 108.22 1wj4 s ILE 58 Ca 0.29 -1.80 -0.03 0.00 -0.26 0.00 0.00 60.65 58.85 1wj4 s ILE 58 Cb -0.13 -2.40 0.08 0.00 1.25 0.00 0.00 42.46 41.26 1wj4 s ILE 58 CO 0.19 -0.00 0.08 -0.89 0.24 0.00 0.00 174.94 174.56 1wj4 s THR 59 N -4.11 0.28 0.28 8.37 2.01 -1.26 -0.30 115.64 120.92 1wj4 s THR 59 Ca 0.33 -0.64 0.11 0.00 0.31 0.00 0.00 61.69 61.80 1wj4 s THR 59 Cb 0.04 -1.00 -0.05 0.00 0.01 0.00 0.00 72.50 71.50 1wj4 s THR 59 CO 0.11 -0.42 -0.13 -0.76 -0.69 0.00 0.00 174.62 172.73 1wj4 s LEU 60 N 1.95 2.80 0.32 4.42 1.43 0.11 -4.83 118.68 124.87 1wj4 s LEU 60 Ca 0.04 -0.92 -0.27 0.00 -1.03 0.00 0.00 54.13 51.95 1wj4 s LEU 60 Cb -0.17 -1.29 -0.09 0.00 0.03 0.00 0.00 46.19 44.67 1wj4 s LEU 60 CO -0.18 0.01 1.07 -2.16 0.23 0.00 0.00 176.35 175.32 1wj4 s PRO 61 N -3.57 4.48 0.51 1.29 0.04 -1.26 0.22 135.00 136.70 1wj4 s PRO 61 Ca 0.31 1.67 0.17 0.00 0.04 0.00 0.00 61.00 63.19 1wj4 s PRO 61 Cb -0.05 -2.95 1.24 0.00 0.04 0.00 0.00 34.50 32.78 1wj4 s PRO 61 CO 0.17 0.10 2.09 0.93 0.04 0.00 0.00 177.00 180.33 1wj4 h GLU 62 N 3.34 0.08 0.00 4.56 5.08 -1.89 0.48 114.58 126.23 1wj4 h GLU 62 Ca -0.47 -0.00 0.00 0.00 -1.00 0.00 0.00 59.36 57.88 1wj4 h GLU 62 Cb 1.21 -0.02 0.00 0.00 0.50 0.00 0.00 28.75 30.44 1wj4 h GLU 62 CO 0.65 0.05 0.00 0.00 -1.00 0.00 0.00 179.01 178.72 1wj4 n GLN 63 N -4.49 0.13 -1.92 2.33 10.64 -1.26 -0.81 117.38 121.99 1wj4 n GLN 63 Ca 0.02 0.01 -0.42 0.00 -1.83 0.00 0.00 57.00 54.78 1wj4 n GLN 63 Cb 0.24 -1.50 -0.03 0.00 -0.86 0.00 0.00 30.24 28.09 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 -2.87 3.74 0.29 2.61 0.00 0.17 -4.64 121.76 121.06 1wj4 s ALA 64 Ca 0.18 1.40 -0.29 0.00 0.00 0.00 0.00 51.96 53.25 1wj4 s ALA 64 Cb 0.19 -3.61 -0.10 0.00 0.00 0.00 0.00 23.12 19.59 1wj4 s ALA 64 CO 0.49 -0.81 1.44 0.15 0.00 0.00 0.00 175.76 177.03 1wj4 s LYS 65 N 0.47 4.24 0.59 0.00 -0.14 -1.26 -0.02 119.74 123.63 1wj4 s LYS 65 Ca 0.66 2.36 0.32 0.00 -1.36 0.00 0.00 55.97 57.95 1wj4 s LYS 65 Cb -0.44 -3.07 1.32 0.00 -1.68 0.00 0.00 37.83 33.96 1wj4 s LYS 65 CO 0.37 -0.41 1.62 1.25 -0.76 0.00 0.00 175.35 177.42 1wj4 h LEU 66 N 4.33 0.00 -0.75 3.17 5.85 -1.58 1.79 115.31 128.13 1wj4 h LEU 66 Ca -0.47 0.00 -0.03 0.00 0.84 0.00 0.00 57.88 58.21 1wj4 h LEU 66 Cb 1.22 0.00 -0.03 0.00 0.37 0.00 0.00 40.66 42.22 1wj4 h LEU 66 CO 0.73 0.00 0.33 0.25 -0.34 0.00 0.00 178.44 179.41 1wj4 h LEU 67 N 0.00 1.00 -0.65 2.25 6.46 -1.86 -2.07 115.31 120.45 1wj4 h LEU 67 Ca 0.47 -0.15 0.14 0.00 -0.12 0.00 0.00 57.88 58.21 1wj4 h LEU 67 Cb 2.34 -0.26 -0.11 0.00 -0.73 0.00 0.00 40.66 41.90 1wj4 h LEU 67 CO -0.00 0.88 0.01 0.00 -0.62 0.00 0.00 178.44 178.70 1wj4 h ALA 68 N 1.16 0.65 -0.03 1.25 0.00 0.24 1.99 119.26 124.52 1wj4 h ALA 68 Ca 0.25 0.20 -0.06 0.00 0.00 0.00 0.00 54.91 55.30 1wj4 h ALA 68 Cb 0.16 0.34 -0.01 0.00 0.00 0.00 0.00 17.79 18.28 1wj4 h ALA 68 CO -0.03 -0.39 -0.28 1.25 0.00 0.00 0.00 179.25 179.80 1wj4 h LEU 69 N 0.12 0.06 -0.09 0.00 5.85 -1.47 -0.62 115.31 119.16 1wj4 h LEU 69 Ca 0.34 -0.02 -0.16 0.00 0.84 0.00 0.00 57.88 58.88 1wj4 h LEU 69 Cb 0.56 -0.02 0.01 0.00 0.37 0.00 0.00 40.66 41.59 1wj4 h LEU 69 CO -0.55 0.34 -0.59 0.58 -0.34 0.00 0.00 178.44 177.88 1wj4 h VAL 70 N 0.05 1.36 -0.76 1.05 2.07 0.14 -2.77 116.25 117.40 1wj4 h VAL 70 Ca 0.01 -1.91 -0.01 0.00 0.82 0.00 0.00 66.70 65.60 1wj4 h VAL 70 Cb 0.53 2.24 -0.04 0.00 -1.52 0.00 0.00 31.29 32.50 1wj4 h VAL 70 CO 0.04 0.58 0.42 0.11 0.02 0.00 0.00 177.57 178.74 1wj4 h LYS 71 N 0.16 1.04 0.36 1.57 1.57 0.31 0.21 116.57 121.79 1wj4 h LYS 71 Ca -0.05 -0.11 -0.02 0.00 -1.87 0.00 0.00 60.65 58.61 1wj4 h LYS 71 Cb 1.24 -0.21 -0.00 0.00 0.08 0.00 0.00 32.23 33.34 1wj4 h LYS 71 CO 0.12 0.76 -0.21 1.25 -0.57 0.00 0.00 179.45 180.79 1wj4 h HIS 72 N 1.05 -0.56 -0.19 -1.35 2.76 -1.08 -1.38 115.15 114.41 1wj4 h HIS 72 Ca 0.27 -0.01 0.05 0.00 -2.20 0.00 0.00 60.37 58.49 1wj4 h HIS 72 Cb 0.01 0.20 -0.01 0.00 1.55 0.00 0.00 27.41 29.16 1wj4 h HIS 72 CO 0.01 -0.32 0.34 0.28 -1.30 0.00 0.00 177.93 176.93 1wj4 h VAL 73 N -0.53 0.22 -0.30 5.26 2.07 -1.39 0.17 116.25 121.76 1wj4 h VAL 73 Ca -0.05 0.00 -0.03 0.00 0.82 0.00 0.00 66.70 67.44 1wj4 h VAL 73 Cb 0.42 0.71 -0.01 0.00 -1.52 0.00 0.00 31.29 30.88 1wj4 h VAL 73 CO 0.05 0.00 0.06 -0.61 0.02 0.00 0.00 177.57 177.09 1wj4 h GLN 74 N 0.00 0.48 0.00 1.57 4.15 0.02 -2.14 115.11 119.19 1wj4 h GLN 74 Ca 0.09 -0.12 0.00 0.00 0.77 0.00 0.00 58.65 59.38 1wj4 h GLN 74 Cb 0.76 -0.06 0.00 0.00 0.21 0.00 0.00 27.48 28.39 1wj4 h GLN 74 CO -0.00 0.58 0.00 0.77 -1.93 0.00 0.00 178.83 178.25 1wj4 h SER 75 N 0.31 0.00 0.44 -0.69 0.02 0.35 -2.59 113.55 111.39 1wj4 h SER 75 Ca 0.09 0.00 -0.12 0.00 -0.84 0.00 0.00 61.79 60.92 1wj4 h SER 75 Cb 0.32 0.00 -0.01 0.00 0.14 0.00 0.00 62.40 62.85 1wj4 h SER 75 CO 0.00 0.00 -0.53 0.11 -1.14 0.00 0.00 176.83 175.28 1wj4 h LYS 76 N 0.00 0.10 0.00 3.45 1.79 -0.76 -3.46 116.57 117.69 1wj4 h LYS 76 Ca 0.00 -0.06 0.00 0.00 -2.18 0.00 0.00 60.65 58.41 1wj4 h LYS 76 Cb 0.54 0.01 0.00 0.00 -1.58 0.00 0.00 32.23 31.20 1wj4 h LYS 76 CO 0.00 0.61 0.00 0.41 -1.08 0.00 0.00 179.45 179.39 1wj4 n GLY 77 N 0.03 0.69 3.03 3.86 0.00 -0.99 -5.10 105.19 106.72 1wj4 n GLY 77 Ca -0.02 0.00 -0.02 0.00 0.00 0.00 0.00 46.02 45.98 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 -1.13 -1.43 -0.00 1.61 1.51 -1.08 -5.04 117.35 111.79 1wj4 s TYR 78 Ca 0.00 0.74 -0.30 0.00 -1.01 0.00 0.00 57.07 56.50 1wj4 s TYR 78 Cb 0.00 0.09 -0.04 0.00 -0.11 0.00 0.00 41.96 41.90 1wj4 s TYR 78 CO 0.00 -1.03 1.19 -1.25 -1.11 0.00 0.00 175.55 173.36 1wj4 s PRO 79 N 2.69 4.40 0.09 -1.71 0.04 -1.26 -3.49 135.00 135.75 1wj4 s PRO 79 Ca 0.10 1.71 -0.20 0.00 0.04 0.00 0.00 61.00 62.66 1wj4 s PRO 79 Cb -0.11 -3.47 -0.06 0.00 0.04 0.00 0.00 34.50 30.90 1wj4 s PRO 79 CO -0.28 -0.35 1.33 -0.97 0.04 0.00 0.00 177.00 176.78 1wj4 h ASN 80 N 7.16 -1.23 -1.82 6.66 -1.24 -1.87 1.74 115.58 124.99 1wj4 h ASN 80 Ca -0.38 0.17 0.53 0.00 0.71 0.00 0.00 56.30 57.33 1wj4 h ASN 80 Cb 1.19 0.52 -0.07 0.00 0.73 0.00 0.00 38.32 40.69 1wj4 h ASN 80 CO 0.84 -0.20 1.31 -1.84 -1.29 0.00 0.00 177.43 176.26 1wj4 n GLU 81 N -4.35 0.00 -0.01 6.67 0.28 -1.26 -1.67 120.64 120.30 1wj4 n GLU 81 Ca -0.01 0.99 -0.01 0.00 -0.16 0.00 0.00 57.16 57.98 1wj4 n GLU 81 Cb 0.18 -2.30 -0.00 0.00 1.43 0.00 0.00 31.44 30.76 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 -3.76 0.05 -3.53 3.44 1.74 0.41 -4.92 116.66 110.09 1wj4 n ARG 82 Ca 0.41 0.15 -0.30 0.00 -0.77 0.00 0.00 57.85 57.34 1wj4 n ARG 82 Cb 1.86 -0.72 -0.04 0.00 -1.02 0.00 0.00 32.46 32.53 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 -1.16 3.47 0.09 -1.55 0.40 0.49 -1.06 117.98 118.65 1wj4 s PHE 83 Ca -0.02 0.61 0.10 0.00 -0.60 0.00 0.00 56.93 57.02 1wj4 s PHE 83 Cb 0.00 -2.06 -0.03 0.00 0.51 0.00 0.00 43.02 41.44 1wj4 s PHE 83 CO 0.03 0.32 -0.26 -1.83 0.70 0.00 0.00 175.22 174.18 1wj4 s GLU 84 N -3.05 1.55 -0.13 0.44 -1.05 0.54 -3.65 118.70 113.35 1wj4 s GLU 84 Ca 0.43 -1.23 -0.11 0.00 -0.15 0.00 0.00 54.97 53.91 1wj4 s GLU 84 Cb -0.11 -1.90 -0.05 0.00 -0.44 0.00 0.00 34.13 31.63 1wj4 s GLU 84 CO 0.26 0.47 0.23 -0.51 0.95 0.00 0.00 175.26 176.66 1wj4 s LEU 85 N -1.68 4.32 0.37 1.83 1.43 -1.26 0.99 118.68 124.68 1wj4 s LEU 85 Ca 0.13 0.51 0.04 0.00 -1.03 0.00 0.00 54.13 53.77 1wj4 s LEU 85 Cb -0.10 -2.26 -0.04 0.00 0.03 0.00 0.00 46.19 43.82 1wj4 s LEU 85 CO 0.04 0.24 0.09 -0.76 0.23 0.00 0.00 176.35 176.19 1wj4 s LEU 86 N -0.25 2.09 0.32 1.79 1.43 0.62 -1.73 118.68 122.94 1wj4 s LEU 86 Ca 0.15 -1.52 0.08 0.00 -1.03 0.00 0.00 54.13 51.82 1wj4 s LEU 86 Cb -0.13 -0.27 -0.04 0.00 0.03 0.00 0.00 46.19 45.78 1wj4 s LEU 86 CO 0.04 -0.76 0.13 0.42 0.23 0.00 0.00 176.35 176.41 1wj4 s THR 87 N -3.25 3.24 0.97 5.49 -4.23 -1.22 0.22 115.64 116.86 1wj4 s THR 87 Ca 0.29 -1.69 -0.13 0.00 -1.18 0.00 0.00 61.69 58.99 1wj4 s THR 87 Cb 0.06 -3.00 0.06 0.00 1.34 0.00 0.00 72.50 70.95 1wj4 s THR 87 CO 0.14 -0.23 0.44 -0.46 -0.54 0.00 0.00 174.62 173.97 1wj4 n ASN 88 N -1.12 -1.91 -2.10 3.99 0.23 -1.17 -3.97 115.26 109.19 1wj4 n ASN 88 Ca -0.04 0.29 -0.24 0.00 -0.53 0.00 0.00 54.58 54.05 1wj4 n ASN 88 Cb 0.60 -1.21 -0.02 0.00 -2.08 0.00 0.00 39.78 37.08 1wj4 n ASN 88 CO 0.00 0.00 0.00 2.22 -0.93 0.00 0.00 177.26 178.55 1wj4 n PHE 89 N -3.75 -0.06 0.06 -2.53 1.16 -1.26 -3.42 117.46 107.65 1wj4 n PHE 89 Ca 0.06 0.47 -0.08 0.00 -1.87 0.00 0.00 57.45 56.04 1wj4 n PHE 89 Cb 0.54 -0.95 -0.05 0.00 -1.61 0.00 0.00 39.48 37.41 1wj4 n PHE 89 CO 0.00 0.00 0.00 -1.00 -1.87 0.00 0.00 176.76 173.89 1wj4 h PRO 90 N 0.78 -0.23 0.00 3.97 0.13 -2.06 -3.50 132.00 131.09 1wj4 h PRO 90 Ca -0.17 0.02 0.00 0.00 -0.87 0.00 0.00 66.00 64.98 1wj4 h PRO 90 Cb 0.68 0.05 0.00 0.00 0.13 0.00 0.00 31.00 31.87 1wj4 h PRO 90 CO 0.28 0.06 0.00 2.89 -0.23 0.00 0.00 178.00 181.01 1wj4 n ARG 91 N -4.92 0.00 -3.43 0.86 -4.01 -1.22 -4.96 116.66 98.98 1wj4 n ARG 91 Ca -0.06 0.00 -0.16 0.00 -1.04 0.00 0.00 57.85 56.60 1wj4 n ARG 91 Cb 0.20 0.00 -0.11 0.00 -3.04 0.00 0.00 32.46 29.52 1wj4 n ARG 91 CO 0.00 0.00 0.00 1.03 -3.04 0.00 0.00 177.63 175.62 1wj4 s ARG 92 N -1.84 0.27 -1.04 2.89 0.52 -1.26 -4.85 118.95 113.63 1wj4 s ARG 92 Ca 0.00 0.19 -0.24 0.00 -0.52 0.00 0.00 55.73 55.16 1wj4 s ARG 92 Cb 0.00 -0.87 -0.07 0.00 0.52 0.00 0.00 34.95 34.53 1wj4 s ARG 92 CO 0.00 -0.76 1.95 0.15 0.02 0.00 0.00 175.30 176.66 1wj4 s LYS 93 N 2.39 2.48 -0.81 3.54 1.02 -1.26 -3.45 119.74 123.65 1wj4 s LYS 93 Ca 0.09 -0.70 -0.25 0.00 0.02 0.00 0.00 55.97 55.13 1wj4 s LYS 93 Cb -0.15 -5.14 -0.15 0.00 -0.52 0.00 0.00 37.83 31.86 1wj4 s LYS 93 CO -0.19 -3.74 2.39 1.28 -0.92 0.00 0.00 175.35 174.17 1wj4 n LEU 94 N 14.39 1.60 0.11 3.17 4.77 -0.71 -3.32 117.00 137.02 1wj4 n LEU 94 Ca 0.43 -1.47 0.00 0.00 -0.03 0.00 0.00 56.01 54.93 1wj4 n LEU 94 Cb 0.47 -1.60 0.00 0.00 -2.33 0.00 0.00 43.42 39.95 1wj4 n LEU 94 CO 0.63 -2.61 0.00 -0.24 -1.33 0.00 0.00 177.39 173.85 1wj4 n SER 95 N 18.03 -1.98 -0.40 -1.43 2.88 -1.26 -4.62 113.62 124.85 1wj4 n SER 95 Ca 0.48 0.65 -0.08 0.00 -1.33 0.00 0.00 58.87 58.59 1wj4 n SER 95 Cb 0.41 2.07 -0.05 0.00 -0.75 0.00 0.00 64.21 65.89 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 -3.11 -0.29 0.00 0.66 1.44 -1.21 -2.10 115.22 110.62 1wj4 n HIS 96 Ca 0.00 1.20 0.00 0.00 -2.01 0.00 0.00 57.72 56.91 1wj4 n HIS 96 Cb 0.00 -0.66 0.00 0.00 0.12 0.00 0.00 29.99 29.45 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 -5.28 0.00 0.00 2.39 -0.00 -1.26 -4.94 117.00 107.92 1wj4 n LEU 97 Ca 0.04 0.45 0.00 0.00 -0.00 0.00 0.00 56.01 56.51 1wj4 n LEU 97 Cb 0.29 0.00 0.00 0.00 -0.00 0.00 0.00 43.42 43.71 1wj4 n LEU 97 CO -0.15 0.00 0.00 0.47 -0.00 0.00 0.00 177.39 177.71 1wj4 n ASP 98 N -0.82 0.00 -0.55 1.45 8.00 -0.89 -5.00 116.55 118.74 1wj4 n ASP 98 Ca 0.00 0.00 0.07 0.00 0.71 0.00 0.00 54.79 55.57 1wj4 n ASP 98 Cb 0.00 0.00 0.06 0.00 -0.02 0.00 0.00 41.12 41.16 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 -0.80 0.04 0.61 1.24 4.01 -1.26 -4.29 117.16 116.70 1wj4 n TYR 99 Ca 0.00 -0.04 0.12 0.00 -0.16 0.00 0.00 57.90 57.82 1wj4 n TYR 99 Cb 0.00 -0.00 0.19 0.00 -0.31 0.00 0.00 39.34 39.22 1wj4 n TYR 99 CO 0.00 0.00 0.00 -0.25 -0.46 0.00 0.00 176.86 176.15 1wj4 n ASP 100 N 0.75 0.67 -3.27 7.72 8.00 -1.26 -3.05 116.55 126.11 1wj4 n ASP 100 Ca 0.08 0.10 0.00 0.00 0.71 0.00 0.00 54.79 55.68 1wj4 n ASP 100 Cb 0.34 0.15 0.00 0.00 -0.02 0.00 0.00 41.12 41.59 1wj4 n ASP 100 CO 0.00 0.00 0.00 2.30 -0.39 0.00 0.00 177.20 179.11 1wj4 n ILE 101 N -2.05 0.00 -4.40 0.53 -5.35 -1.26 -4.86 119.36 101.97 1wj4 n ILE 101 Ca 0.04 0.00 -0.28 0.00 -0.27 0.00 0.00 62.75 62.24 1wj4 n ILE 101 Cb 0.43 -0.93 -0.12 0.00 -1.74 0.00 0.00 39.64 37.28 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 -0.26 2.39 0.58 7.28 -4.23 -1.26 -3.47 115.64 116.67 1wj4 s THR 102 Ca 0.00 -1.88 0.40 0.00 -1.18 0.00 0.00 61.69 59.03 1wj4 s THR 102 Cb 0.00 -2.11 0.58 0.00 1.34 0.00 0.00 72.50 72.31 1wj4 s THR 102 CO 0.00 -0.02 1.48 -0.07 -0.54 0.00 0.00 174.62 175.47 1wj4 h LEU 103 N 3.48 0.00 0.18 4.79 3.38 0.16 0.97 115.31 128.27 1wj4 h LEU 103 Ca -0.48 0.00 -0.01 0.00 0.09 0.00 0.00 57.88 57.48 1wj4 h LEU 103 Cb 1.19 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.94 1wj4 h LEU 103 CO 0.45 0.00 -0.09 -0.61 0.09 0.00 0.00 178.44 178.28 1wj4 h GLN 104 N 0.00 -0.24 -0.57 1.13 4.15 -1.81 -0.39 115.11 117.39 1wj4 h GLN 104 Ca 0.72 0.02 0.11 0.00 0.77 0.00 0.00 58.65 60.27 1wj4 h GLN 104 Cb 3.30 0.05 -0.11 0.00 0.21 0.00 0.00 27.48 30.93 1wj4 h GLN 104 CO -0.01 0.14 -0.20 0.93 -1.93 0.00 0.00 178.83 177.76 1wj4 h GLU 105 N -0.92 -0.06 -0.51 1.69 5.08 0.63 1.09 114.58 121.57 1wj4 h GLU 105 Ca -0.03 0.00 0.15 0.00 -1.00 0.00 0.00 59.36 58.49 1wj4 h GLU 105 Cb 0.49 0.01 -0.02 0.00 0.50 0.00 0.00 28.75 29.73 1wj4 h GLU 105 CO 0.04 -0.04 0.40 0.00 -1.00 0.00 0.00 179.01 178.41 1wj4 h ALA 106 N 1.38 2.40 -0.65 3.43 0.00 -1.39 -3.45 119.26 120.98 1wj4 h ALA 106 Ca 0.26 -0.02 0.00 0.00 0.00 0.00 0.00 54.91 55.16 1wj4 h ALA 106 Cb 0.47 0.04 0.00 0.00 0.00 0.00 0.00 17.79 18.30 1wj4 h ALA 106 CO -0.62 -0.66 0.00 0.41 0.00 0.00 0.00 179.25 178.38 1wj4 n GLY 107 N -1.60 0.85 0.01 0.00 0.00 0.38 -5.00 105.19 99.83 1wj4 n GLY 107 Ca 0.09 -0.32 0.05 0.00 0.00 0.00 0.00 46.02 45.84 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 -0.32 0.00 -4.84 0.99 7.99 -0.18 -4.93 117.00 115.72 1wj4 n LEU 108 Ca 0.00 0.00 -0.33 0.00 -0.01 0.00 0.00 56.01 55.67 1wj4 n LEU 108 Cb 0.26 0.02 -0.06 0.00 -0.11 0.00 0.00 43.42 43.52 1wj4 n LEU 108 CO 0.00 0.02 0.57 0.00 -1.51 0.00 0.00 177.39 176.47 1wj4 h PRO 110 N 1.82 0.73 -4.00 0.00 0.13 -1.94 -3.47 132.00 125.28 1wj4 h PRO 110 Ca -0.48 -0.71 -0.42 0.00 -0.87 0.00 0.00 66.00 63.52 1wj4 h PRO 110 Cb 1.18 0.19 -0.34 0.00 0.13 0.00 0.00 31.00 32.15 1wj4 h PRO 110 CO 0.63 1.30 -0.77 1.14 -0.23 0.00 0.00 178.00 180.06 1wj4 s GLN 111 N -3.47 0.83 0.04 0.86 -2.07 -1.05 -2.04 119.66 112.75 1wj4 s GLN 111 Ca -0.10 -0.09 -0.05 0.00 -1.82 0.00 0.00 55.36 53.30 1wj4 s GLN 111 Cb 0.08 -0.87 -0.01 0.00 -1.09 0.00 0.00 33.01 31.11 1wj4 s GLN 111 CO 0.92 -0.11 0.09 -2.00 -1.32 0.00 0.00 175.29 172.86 1wj4 s GLU 112 N 1.05 0.58 -0.45 9.60 2.56 -0.31 -4.97 118.70 126.76 1wj4 s GLU 112 Ca -0.09 -0.77 -0.19 0.00 0.00 0.00 0.00 54.97 53.93 1wj4 s GLU 112 Cb -0.14 0.23 0.03 0.00 2.00 0.00 0.00 34.13 36.25 1wj4 s GLU 112 CO -0.01 -0.14 0.56 0.99 -0.56 0.00 0.00 175.26 176.10 1wj4 s THR 113 N -2.63 4.94 -0.27 -1.70 2.01 -1.26 -2.10 115.64 114.64 1wj4 s THR 113 Ca -0.05 -0.27 -0.23 0.00 0.31 0.00 0.00 61.69 61.45 1wj4 s THR 113 Cb -0.01 -4.17 -0.01 0.00 0.01 0.00 0.00 72.50 68.32 1wj4 s THR 113 CO -0.05 -0.60 0.78 -0.69 -0.69 0.00 0.00 174.62 173.37 1wj4 s VAL 114 N 2.49 4.85 -0.13 3.82 1.01 -0.16 -3.06 120.40 129.21 1wj4 s VAL 114 Ca 0.16 1.36 -0.06 0.00 0.00 0.00 0.00 61.98 63.44 1wj4 s VAL 114 Cb -0.17 -4.09 -0.04 0.00 0.00 0.00 0.00 36.38 32.08 1wj4 s VAL 114 CO 0.15 -0.11 0.10 -0.36 0.00 0.00 0.00 175.10 174.87 1wj4 s PHE 115 N 2.82 3.42 -0.19 5.22 0.40 0.60 0.40 117.98 130.65 1wj4 s PHE 115 Ca 0.32 0.35 -0.15 0.00 -0.60 0.00 0.00 56.93 56.86 1wj4 s PHE 115 Cb -0.15 -1.96 -0.04 0.00 0.51 0.00 0.00 43.02 41.38 1wj4 s PHE 115 CO 0.09 0.52 0.35 0.08 0.70 0.00 0.00 175.22 176.96 1wj4 s VAL 116 N -0.56 5.24 0.07 -0.44 1.01 0.17 0.23 120.40 126.12 1wj4 s VAL 116 Ca 0.12 0.63 0.03 0.00 0.00 0.00 0.00 61.98 62.76 1wj4 s VAL 116 Cb -0.12 -3.69 -0.03 0.00 0.00 0.00 0.00 36.38 32.54 1wj4 s VAL 116 CO 0.02 0.30 -0.10 -1.58 0.00 0.00 0.00 175.10 173.75 1wj4 s GLN 117 N 1.01 0.73 -0.17 2.72 0.74 0.28 -3.88 119.66 121.09 1wj4 s GLN 117 Ca 0.18 -1.00 -0.29 0.00 0.05 0.00 0.00 55.36 54.30 1wj4 s GLN 117 Cb -0.14 -0.48 -0.01 0.00 1.10 0.00 0.00 33.01 33.48 1wj4 s GLN 117 CO 0.07 0.08 1.25 -1.21 -0.55 0.00 0.00 175.29 174.93 1wj4 s GLU 118 N -2.27 4.24 -0.21 1.67 2.02 -1.26 0.20 118.70 123.09 1wj4 s GLU 118 Ca -0.01 1.65 -0.28 0.00 0.02 0.00 0.00 54.97 56.34 1wj4 s GLU 118 Cb -0.06 -3.75 0.00 0.00 0.10 0.00 0.00 34.13 30.42 1wj4 s GLU 118 CO 0.00 -0.70 1.00 0.45 0.02 0.00 0.00 175.26 176.04 1wj4 s SER 119 N 1.92 7.09 0.00 -0.19 0.15 -0.23 -4.77 113.70 117.68 1wj4 s SER 119 Ca 0.54 1.36 0.00 0.00 0.70 0.00 0.00 55.95 58.55 1wj4 s SER 119 Cb -0.21 -2.53 0.00 0.00 -1.71 0.00 0.00 66.02 61.57 1wj4 s SER 119 CO 0.14 -0.60 0.00 0.61 1.20 0.00 0.00 173.24 174.59 1wj4 n GLY 120 N 3.33 0.99 2.57 9.45 0.00 -1.26 -4.63 105.19 115.63 1wj4 n GLY 120 Ca 0.10 -1.80 -0.32 0.00 0.00 0.00 0.00 46.02 44.01 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 1.00 2.66 -2.34 1.61 -0.04 -1.26 -4.59 135.00 132.04 1wj4 n PRO 121 Ca 0.00 -1.86 -0.04 0.00 -0.04 0.00 0.00 63.50 61.55 1wj4 n PRO 121 Cb 0.00 -2.70 -0.04 0.00 -0.04 0.00 0.00 33.50 30.72 1wj4 n PRO 121 CO 0.00 0.00 0.00 0.43 -0.04 0.00 0.00 175.50 175.89 1wj4 n SER 122 N 4.50 -0.84 -4.19 3.54 7.64 -1.26 -5.02 113.62 117.99 1wj4 n SER 122 Ca 0.58 1.06 -0.33 0.00 1.01 0.00 0.00 58.87 61.19 1wj4 n SER 122 Cb 0.22 -4.33 -0.16 0.00 -1.01 0.00 0.00 64.21 58.93 1wj4 n SER 122 CO 0.00 0.00 0.00 -0.44 -3.01 0.00 0.00 175.04 171.59 1wj4 s SER 123 N -0.52 3.39 0.00 6.43 0.01 -1.26 -5.19 113.70 116.56 1wj4 s SER 123 Ca -0.22 -0.57 0.00 0.00 1.31 0.00 0.00 55.95 56.47 1wj4 s SER 123 Cb 0.01 -1.52 0.00 0.00 0.21 0.00 0.00 66.02 64.72 1wj4 s SER 123 CO 0.60 0.04 0.00 0.61 0.41 0.00 0.00 173.24 174.90