#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 -0.05 0.03 1.61 0.15 -1.26 -5.19 113.70 108.99 1wj4 s SER 2 Ca 0.00 -0.12 -0.29 0.00 0.70 0.00 0.00 55.95 56.24 1wj4 s SER 2 Cb 0.00 0.14 0.11 0.00 -1.71 0.00 0.00 66.02 64.56 1wj4 s SER 2 CO 0.00 -0.26 1.21 -0.55 1.20 0.00 0.00 173.24 174.83 1wj4 s SER 3 N -2.99 -0.08 0.00 5.45 0.15 -1.26 -5.19 113.70 109.78 1wj4 s SER 3 Ca 0.14 -0.21 0.00 0.00 0.70 0.00 0.00 55.95 56.59 1wj4 s SER 3 Cb 0.05 0.24 0.00 0.00 -1.71 0.00 0.00 66.02 64.61 1wj4 s SER 3 CO -0.04 -0.45 0.00 0.61 1.20 0.00 0.00 173.24 174.56 1wj4 n GLY 4 N -0.50 6.26 3.72 9.45 0.00 -1.26 -5.19 105.19 117.68 1wj4 n GLY 4 Ca -0.08 -1.66 -0.04 0.00 0.00 0.00 0.00 46.02 44.24 1wj4 n GLY 4 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1wj4 s SER 5 N 1.00 -0.19 0.12 1.61 0.01 -1.26 -5.19 113.70 109.80 1wj4 s SER 5 Ca 0.00 -0.35 -0.26 0.00 1.31 0.00 0.00 55.95 56.65 1wj4 s SER 5 Cb 0.00 0.47 0.07 0.00 0.21 0.00 0.00 66.02 66.77 1wj4 s SER 5 CO 0.00 -0.85 1.02 -0.94 0.41 0.00 0.00 173.24 172.88 1wj4 s SER 6 N -2.90 -0.16 0.18 2.44 1.04 -1.26 -5.19 113.70 107.86 1wj4 s SER 6 Ca 0.12 -0.35 -0.05 0.00 0.48 0.00 0.00 55.95 56.14 1wj4 s SER 6 Cb -0.01 0.43 -0.03 0.00 0.10 0.00 0.00 66.02 66.51 1wj4 s SER 6 CO 0.01 -0.79 0.21 -0.83 0.98 0.00 0.00 173.24 172.81 1wj4 s GLY 7 N -2.95 0.93 -0.11 7.32 0.00 -1.26 -5.18 107.32 106.08 1wj4 s GLY 7 Ca 0.13 -1.30 -0.33 0.00 0.00 0.00 0.00 44.72 43.22 1wj4 s GLY 7 CO 0.01 -1.12 1.20 -1.08 0.00 0.00 0.00 173.10 172.10 1wj4 s THR 8 N -4.06 0.00 -0.01 0.90 -1.32 -1.26 -5.18 115.64 104.72 1wj4 s THR 8 Ca 0.27 -0.09 -0.04 0.00 -1.21 0.00 0.00 61.69 60.61 1wj4 s THR 8 Cb 0.05 -1.33 -0.00 0.00 -1.51 0.00 0.00 72.50 69.71 1wj4 s THR 8 CO 0.06 0.00 0.09 0.00 -2.21 0.00 0.00 174.62 172.55 1wj4 s ALA 9 N -2.51 -0.20 -0.14 11.08 0.00 -1.26 -5.16 121.76 123.57 1wj4 s ALA 9 Ca 0.11 -0.08 -0.30 0.00 0.00 0.00 0.00 51.96 51.68 1wj4 s ALA 9 Cb 0.01 0.02 0.13 0.00 0.00 0.00 0.00 23.12 23.27 1wj4 s ALA 9 CO -0.04 -0.14 1.03 -0.08 0.00 0.00 0.00 175.76 176.53 1wj4 s THR 10 N -0.88 0.00 0.37 0.00 -1.32 -1.26 -5.18 115.64 107.37 1wj4 s THR 10 Ca -0.10 0.00 0.07 0.00 -1.21 0.00 0.00 61.69 60.46 1wj4 s THR 10 Cb -0.06 -1.00 -0.01 0.00 -1.51 0.00 0.00 72.50 69.92 1wj4 s THR 10 CO 0.00 0.00 0.41 0.21 -2.21 0.00 0.00 174.62 173.03 1wj4 s ASN 11 N -1.54 5.48 0.15 8.08 2.47 -1.26 -5.13 114.94 123.20 1wj4 s ASN 11 Ca 0.02 -0.45 -0.24 0.00 0.42 0.00 0.00 52.86 52.61 1wj4 s ASN 11 Cb -0.01 -0.90 0.08 0.00 -1.45 0.00 0.00 41.25 38.97 1wj4 s ASN 11 CO -0.02 -0.51 1.04 -1.38 -3.72 0.00 0.00 177.10 172.51 1wj4 s HIS 12 N -2.31 -0.01 0.04 0.43 -3.43 -1.26 -5.19 115.29 103.56 1wj4 s HIS 12 Ca 0.46 -0.33 -0.04 0.00 -0.80 0.00 0.00 55.06 54.35 1wj4 s HIS 12 Cb -0.07 0.66 -0.02 0.00 -1.43 0.00 0.00 32.58 31.73 1wj4 s HIS 12 CO 0.29 -0.83 0.06 -0.65 -2.00 0.00 0.00 174.74 171.62 1wj4 s GLN 13 N -2.57 0.56 -0.65 -0.38 -0.21 -1.26 -5.10 119.66 110.05 1wj4 s GLN 13 Ca 0.18 -0.82 0.05 0.00 0.02 0.00 0.00 55.36 54.80 1wj4 s GLN 13 Cb -0.01 0.21 0.20 0.00 1.00 0.00 0.00 33.01 34.40 1wj4 s GLN 13 CO 0.03 -0.13 0.56 0.41 -2.12 0.00 0.00 175.29 174.04 1wj4 n GLY 14 N 0.74 4.05 3.01 3.09 0.00 -1.26 -5.05 105.19 109.79 1wj4 n GLY 14 Ca -0.19 -2.50 -0.30 0.00 0.00 0.00 0.00 46.02 43.03 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 -1.63 1.72 0.85 0.99 1.43 -1.26 -5.13 118.68 115.65 1wj4 s LEU 15 Ca 0.30 -0.51 -0.12 0.00 -1.03 0.00 0.00 54.13 52.77 1wj4 s LEU 15 Cb 0.03 -1.18 0.10 0.00 0.03 0.00 0.00 46.19 45.17 1wj4 s LEU 15 CO -0.13 -0.06 1.12 -2.16 0.23 0.00 0.00 176.35 175.35 1wj4 s PRO 16 N 1.49 1.65 0.34 1.29 0.04 -1.26 -5.09 135.00 133.46 1wj4 s PRO 16 Ca 0.05 0.48 0.00 0.00 0.04 0.00 0.00 61.00 61.57 1wj4 s PRO 16 Cb -0.13 -1.88 -0.00 0.00 0.04 0.00 0.00 34.50 32.53 1wj4 s PRO 16 CO -0.10 -1.89 0.43 0.00 0.04 0.00 0.00 177.00 175.48 1wj4 n ALA 17 N -3.59 -0.09 -2.70 8.56 0.00 -1.26 -5.18 120.51 116.25 1wj4 n ALA 17 Ca 0.07 -1.68 -0.09 0.00 0.00 0.00 0.00 53.44 51.74 1wj4 n ALA 17 Cb 0.58 1.35 -0.09 0.00 0.00 0.00 0.00 19.45 21.29 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 -2.93 0.13 -0.48 0.00 0.11 -1.26 -5.08 120.40 110.89 1wj4 s VAL 18 Ca 0.31 -1.08 -0.32 0.00 -2.93 0.00 0.00 61.98 57.95 1wj4 s VAL 18 Cb -0.00 -1.02 -0.12 0.00 -1.53 0.00 0.00 36.38 33.71 1wj4 s VAL 18 CO 0.22 -0.60 2.32 0.47 -3.33 0.00 0.00 175.10 174.19 1wj4 n ASP 19 N 0.56 1.92 -2.18 3.54 8.00 -1.26 -4.57 116.55 122.56 1wj4 n ASP 19 Ca -0.18 0.17 -0.02 0.00 0.71 0.00 0.00 54.79 55.47 1wj4 n ASP 19 Cb 0.59 -1.29 0.03 0.00 -0.02 0.00 0.00 41.12 40.44 1wj4 n ASP 19 CO 0.00 0.00 0.00 -0.24 -0.39 0.00 0.00 177.20 176.57 1wj4 n SER 20 N 11.34 -0.79 -3.94 -2.24 2.88 -1.26 -5.09 113.62 114.51 1wj4 n SER 20 Ca 0.44 -1.56 -0.30 0.00 -1.33 0.00 0.00 58.87 56.11 1wj4 n SER 20 Cb 0.27 0.52 -0.14 0.00 -0.75 0.00 0.00 64.21 64.11 1wj4 n SER 20 CO 0.00 0.00 0.00 -1.83 -1.23 0.00 0.00 175.04 171.98 1wj4 s GLU 21 N 0.05 1.60 0.00 -1.46 -1.05 -1.26 -4.93 118.70 111.65 1wj4 s GLU 21 Ca 0.05 -2.12 0.00 0.00 -0.15 0.00 0.00 54.97 52.74 1wj4 s GLU 21 Cb 0.14 -3.07 0.00 0.00 -0.44 0.00 0.00 34.13 30.76 1wj4 s GLU 21 CO -0.04 -1.03 0.00 -0.89 0.95 0.00 0.00 175.26 174.25 1wj4 n ILE 22 N 3.78 -1.76 -0.49 1.83 2.08 -1.26 -4.77 119.36 118.77 1wj4 n ILE 22 Ca 0.04 0.40 -0.16 0.00 0.56 0.00 0.00 62.75 63.59 1wj4 n ILE 22 Cb 0.37 -2.80 0.11 0.00 -0.75 0.00 0.00 39.64 36.57 1wj4 n ILE 22 CO 0.00 0.00 0.00 -0.11 0.56 0.00 0.00 176.55 177.00 1wj4 n LEU 23 N 1.47 5.55 -4.17 1.39 0.00 -1.26 -4.82 117.00 115.17 1wj4 n LEU 23 Ca 0.00 -2.93 -0.32 0.00 0.00 0.00 0.00 56.01 52.76 1wj4 n LEU 23 Cb 0.40 -0.75 -0.08 0.00 0.00 0.00 0.00 43.42 42.99 1wj4 n LEU 23 CO 0.00 0.90 1.59 -0.62 0.00 0.00 0.00 177.39 179.26 1wj4 n GLU 24 N -0.51 1.09 -3.90 1.96 1.02 -1.26 -4.81 120.64 114.23 1wj4 n GLU 24 Ca 0.39 -1.96 -0.30 0.00 -0.02 0.00 0.00 57.16 55.26 1wj4 n GLU 24 Cb 1.19 -3.38 -0.15 0.00 -0.02 0.00 0.00 31.44 29.08 1wj4 n GLU 24 CO 0.00 0.00 0.00 -1.64 1.18 0.00 0.00 177.13 176.67 1wj4 s MET 25 N 6.51 1.35 0.52 3.49 -1.94 -1.26 -5.12 119.30 122.84 1wj4 s MET 25 Ca 0.68 -1.15 -0.19 0.00 -1.71 0.00 0.00 55.69 53.32 1wj4 s MET 25 Cb 0.05 -2.55 -0.07 0.00 2.01 0.00 0.00 34.83 34.26 1wj4 s MET 25 CO 0.17 -0.75 1.04 -1.25 -0.01 0.00 0.00 175.02 174.22 1wj4 s PRO 26 N 1.37 3.67 0.00 2.03 0.04 -1.26 -4.92 135.00 135.94 1wj4 s PRO 26 Ca 0.01 1.30 0.13 0.00 0.04 0.00 0.00 61.00 62.48 1wj4 s PRO 26 Cb -0.18 -2.08 0.78 0.00 0.04 0.00 0.00 34.50 33.05 1wj4 s PRO 26 CO -0.11 -0.53 1.32 -0.35 0.04 0.00 0.00 177.00 177.37 1wj4 n PRO 27 N -1.29 0.75 -1.49 0.56 -0.04 -1.26 -4.88 135.00 127.35 1wj4 n PRO 27 Ca 0.09 0.00 -0.58 0.00 -0.04 0.00 0.00 63.50 62.97 1wj4 n PRO 27 Cb 0.53 -1.27 -0.08 0.00 -0.04 0.00 0.00 33.50 32.63 1wj4 n PRO 27 CO 0.00 0.00 0.00 0.39 -0.04 0.00 0.00 175.50 175.85 1wj4 n GLU 28 N -0.77 0.00 -4.26 0.54 1.02 -1.26 -4.94 120.64 110.97 1wj4 n GLU 28 Ca 0.10 0.00 -0.22 0.00 -0.02 0.00 0.00 57.16 57.02 1wj4 n GLU 28 Cb 0.04 -1.40 -0.12 0.00 -0.02 0.00 0.00 31.44 29.94 1wj4 n GLU 28 CO 0.00 0.00 0.00 -1.59 1.18 0.00 0.00 177.13 176.72 1wj4 s LYS 29 N 1.11 1.06 0.62 3.49 0.00 -1.26 -5.15 119.74 119.61 1wj4 s LYS 29 Ca 0.90 -1.13 0.01 0.00 0.00 0.00 0.00 55.97 55.75 1wj4 s LYS 29 Cb -1.27 -1.23 0.08 0.00 0.00 0.00 0.00 37.83 35.40 1wj4 s LYS 29 CO 0.62 0.28 0.87 0.00 0.00 0.00 0.00 175.35 177.12 1wj4 s ALA 30 N -1.29 3.87 0.58 0.59 0.00 -1.26 -4.97 121.76 119.28 1wj4 s ALA 30 Ca 0.05 -1.55 0.00 0.00 0.00 0.00 0.00 51.96 50.46 1wj4 s ALA 30 Cb -0.09 -2.01 0.00 0.00 0.00 0.00 0.00 23.12 21.02 1wj4 s ALA 30 CO 0.04 -1.06 0.00 -0.25 0.00 0.00 0.00 175.76 174.49 1wj4 n ASP 31 N -2.55 -7.40 0.00 0.00 9.92 -1.26 -5.08 116.55 110.18 1wj4 n ASP 31 Ca 0.11 1.43 0.00 0.00 -0.53 0.00 0.00 54.79 55.81 1wj4 n ASP 31 Cb 0.60 -4.66 0.00 0.00 -0.64 0.00 0.00 41.12 36.42 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 -3.95 3.67 3.38 0.44 0.00 -1.26 -5.06 105.19 102.41 1wj4 n GLY 32 Ca -0.08 -0.46 -0.45 0.00 0.00 0.00 0.00 46.02 45.03 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 -1.72 5.53 -0.58 1.61 1.01 -1.26 -4.86 120.40 120.12 1wj4 s VAL 33 Ca 0.00 -2.78 0.06 0.00 0.00 0.00 0.00 61.98 59.27 1wj4 s VAL 33 Cb 0.00 -4.66 0.28 0.00 0.00 0.00 0.00 36.38 31.99 1wj4 s VAL 33 CO 0.00 -1.29 0.77 0.55 0.00 0.00 0.00 175.10 175.13 1wj4 n VAL 34 N 3.81 2.05 -3.68 2.92 3.14 -1.26 -5.00 118.33 120.31 1wj4 n VAL 34 Ca 0.24 -5.14 -0.29 0.00 -2.96 0.00 0.00 64.34 56.20 1wj4 n VAL 34 Cb 0.43 -1.80 -0.16 0.00 -1.06 0.00 0.00 33.84 31.25 1wj4 n VAL 34 CO 0.00 0.00 0.00 -0.70 -6.46 0.00 0.00 176.83 169.67 1wj4 s GLU 35 N -2.58 0.53 0.00 1.45 2.12 -1.26 -5.06 118.70 113.89 1wj4 s GLU 35 Ca 0.42 -0.66 0.00 0.00 0.36 0.00 0.00 54.97 55.09 1wj4 s GLU 35 Cb 0.20 -1.82 0.00 0.00 0.26 0.00 0.00 34.13 32.77 1wj4 s GLU 35 CO -0.06 -0.86 0.00 0.41 -0.54 0.00 0.00 175.26 174.21 1wj4 n GLY 36 N 5.04 1.25 3.27 -1.50 0.00 -1.26 -4.82 105.19 107.18 1wj4 n GLY 36 Ca -0.06 0.70 -0.19 0.00 0.00 0.00 0.00 46.02 46.47 1wj4 n GLY 36 CO 0.00 0.00 0.00 1.39 0.00 0.00 0.00 173.32 174.71 1wj4 n ILE 37 N 0.00 -2.83 -4.04 -0.61 5.41 -1.26 -4.99 119.36 111.05 1wj4 n ILE 37 Ca 0.00 0.28 -0.10 0.00 1.00 0.00 0.00 62.75 63.93 1wj4 n ILE 37 Cb 0.00 -3.15 -0.11 0.00 -0.71 0.00 0.00 39.64 35.67 1wj4 n ILE 37 CO 0.00 0.00 0.00 -1.81 0.00 0.00 0.00 176.55 174.74 1wj4 s ASP 38 N -1.19 0.52 -0.06 4.38 1.11 -1.26 -5.06 116.67 115.12 1wj4 s ASP 38 Ca 0.19 -0.65 0.02 0.00 0.18 0.00 0.00 52.55 52.28 1wj4 s ASP 38 Cb -0.02 0.10 -0.03 0.00 1.07 0.00 0.00 42.92 44.04 1wj4 s ASP 38 CO 0.43 -0.35 -0.09 0.68 1.18 0.00 0.00 175.17 177.02 1wj4 s VAL 39 N -2.10 3.50 -0.42 -1.27 -7.23 -1.26 -5.09 120.40 106.53 1wj4 s VAL 39 Ca -0.08 -0.56 -0.11 0.00 -1.81 0.00 0.00 61.98 59.43 1wj4 s VAL 39 Cb -0.05 -2.41 0.07 0.00 0.56 0.00 0.00 36.38 34.54 1wj4 s VAL 39 CO -0.03 0.59 0.28 0.20 -0.31 0.00 0.00 175.10 175.84 1wj4 s ASN 40 N -0.76 5.78 0.00 4.85 -0.87 -1.26 -5.01 114.94 117.68 1wj4 s ASN 40 Ca 0.12 -1.36 0.00 0.00 -1.57 0.00 0.00 52.86 50.05 1wj4 s ASN 40 Cb -0.11 -2.04 0.00 0.00 -0.02 0.00 0.00 41.25 39.08 1wj4 s ASN 40 CO 0.01 -0.54 0.00 0.61 -2.57 0.00 0.00 177.10 174.62 1wj4 n GLY 41 N 5.00 4.68 1.76 0.66 0.00 -1.26 -5.17 105.19 110.86 1wj4 n GLY 41 Ca -0.11 -0.98 -0.14 0.00 0.00 0.00 0.00 46.02 44.79 1wj4 n GLY 41 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 1wj4 n PRO 42 N 0.00 -1.32 -1.06 1.61 -0.04 -1.26 -5.03 135.00 127.91 1wj4 n PRO 42 Ca 0.00 -0.91 -0.30 0.00 -0.04 0.00 0.00 63.50 62.25 1wj4 n PRO 42 Cb 0.00 -0.72 0.15 0.00 -0.04 0.00 0.00 33.50 32.89 1wj4 n PRO 42 CO 0.00 0.00 0.00 0.21 -0.04 0.00 0.00 175.50 175.67 1wj4 s LYS 43 N -4.29 1.15 -0.23 0.54 2.20 -1.26 -4.77 119.74 113.08 1wj4 s LYS 43 Ca 0.35 1.00 -0.16 0.00 -0.36 0.00 0.00 55.97 56.81 1wj4 s LYS 43 Cb -0.02 -1.78 -0.04 0.00 -1.51 0.00 0.00 37.83 34.48 1wj4 s LYS 43 CO 0.26 -2.37 0.39 0.00 -0.36 0.00 0.00 175.35 173.27 1wj4 s ALA 44 N -2.83 3.57 -0.32 3.13 0.00 0.50 -4.91 121.76 120.90 1wj4 s ALA 44 Ca 0.64 -0.63 -0.19 0.00 0.00 0.00 0.00 51.96 51.79 1wj4 s ALA 44 Cb -0.19 -2.67 -0.01 0.00 0.00 0.00 0.00 23.12 20.25 1wj4 s ALA 44 CO 0.58 -0.44 0.54 -0.65 0.00 0.00 0.00 175.76 175.80 1wj4 s GLN 45 N 1.60 3.77 0.13 0.00 -0.21 -0.92 -0.04 119.66 123.99 1wj4 s GLN 45 Ca 0.18 0.03 0.08 0.00 0.02 0.00 0.00 55.36 55.67 1wj4 s GLN 45 Cb -0.15 -3.76 -0.04 0.00 1.00 0.00 0.00 33.01 30.06 1wj4 s GLN 45 CO 0.08 -0.58 -0.12 -0.51 -2.12 0.00 0.00 175.29 172.05 1wj4 s LEU 46 N 2.45 2.94 -0.29 2.90 2.01 -0.33 -1.71 118.68 126.64 1wj4 s LEU 46 Ca 0.21 -0.49 0.02 0.00 0.01 0.00 0.00 54.13 53.88 1wj4 s LEU 46 Cb -0.15 -1.71 0.08 0.00 0.01 0.00 0.00 46.19 44.42 1wj4 s LEU 46 CO 0.12 0.15 0.00 -0.32 1.01 0.00 0.00 176.35 177.32 1wj4 s MET 47 N -2.41 1.52 -0.22 1.70 -2.45 -0.85 0.05 119.30 116.63 1wj4 s MET 47 Ca 0.22 -1.42 -0.29 0.00 -1.25 0.00 0.00 55.69 52.94 1wj4 s MET 47 Cb -0.10 -2.79 0.00 0.00 1.25 0.00 0.00 34.83 33.19 1wj4 s MET 47 CO 0.13 -0.80 1.12 -0.51 1.05 0.00 0.00 175.02 176.02 1wj4 s LEU 48 N 1.18 4.11 -0.34 4.11 2.01 0.51 0.20 118.68 130.47 1wj4 s LEU 48 Ca 0.03 1.45 -0.04 0.00 0.01 0.00 0.00 54.13 55.59 1wj4 s LEU 48 Cb -0.19 -3.54 0.06 0.00 0.01 0.00 0.00 46.19 42.53 1wj4 s LEU 48 CO -0.10 -0.72 0.08 -0.13 1.01 0.00 0.00 176.35 176.49 1wj4 s ARG 49 N 3.34 2.41 0.52 1.70 1.81 0.93 0.12 118.95 129.79 1wj4 s ARG 49 Ca 0.48 -1.36 -0.17 0.00 -1.72 0.00 0.00 55.73 52.96 1wj4 s ARG 49 Cb -0.17 -3.37 -0.07 0.00 -0.45 0.00 0.00 34.95 30.89 1wj4 s ARG 49 CO 0.10 -0.74 1.01 0.71 -0.68 0.00 0.00 175.30 175.70 1wj4 s TYR 50 N 1.28 3.24 -1.27 -0.53 2.02 0.31 0.11 117.35 122.52 1wj4 s TYR 50 Ca -0.01 1.51 0.22 0.00 -0.37 0.00 0.00 57.07 58.42 1wj4 s TYR 50 Cb -0.20 -2.90 1.07 0.00 -0.40 0.00 0.00 41.96 39.53 1wj4 s TYR 50 CO -0.00 -0.62 1.73 -0.35 -1.57 0.00 0.00 175.55 174.73 1wj4 n PRO 51 N -1.53 0.20 0.00 -1.71 -0.04 -1.20 -2.43 135.00 128.29 1wj4 n PRO 51 Ca 0.08 0.09 0.13 0.00 -0.04 0.00 0.00 63.50 63.76 1wj4 n PRO 51 Cb 0.53 -1.50 0.79 0.00 -0.04 0.00 0.00 33.50 33.28 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 -1.36 0.00 0.00 3.54 2.03 -1.26 -4.84 116.55 114.66 1wj4 n ASP 52 Ca 0.09 -1.00 0.00 0.00 0.52 0.00 0.00 54.79 54.39 1wj4 n ASP 52 Cb 0.21 0.00 0.00 0.00 -0.72 0.00 0.00 41.12 40.61 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 0.79 3.22 3.90 0.27 0.00 -1.02 -5.03 105.19 107.32 1wj4 n GLY 53 Ca 0.20 0.00 -0.28 0.00 0.00 0.00 0.00 46.02 45.94 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 -0.51 3.17 0.31 1.61 -0.14 -1.25 -4.89 119.74 118.05 1wj4 s LYS 54 Ca 0.00 0.23 -0.01 0.00 -1.36 0.00 0.00 55.97 54.83 1wj4 s LYS 54 Cb 0.00 -2.23 -0.01 0.00 -1.68 0.00 0.00 37.83 33.91 1wj4 s LYS 54 CO 0.00 -0.60 0.38 -0.98 -0.76 0.00 0.00 175.35 173.39 1wj4 s ARG 55 N -5.01 1.74 -0.27 1.68 1.70 -1.26 -0.53 118.95 117.01 1wj4 s ARG 55 Ca 0.53 -1.76 -0.25 0.00 -0.47 0.00 0.00 55.73 53.78 1wj4 s ARG 55 Cb -0.11 0.39 0.09 0.00 -0.57 0.00 0.00 34.95 34.76 1wj4 s ARG 55 CO 0.47 -0.69 0.85 -2.00 -1.08 0.00 0.00 175.30 172.86 1wj4 s GLU 56 N -3.39 0.71 0.09 3.89 2.12 0.33 -4.93 118.70 117.51 1wj4 s GLU 56 Ca 0.33 0.80 0.02 0.00 0.36 0.00 0.00 54.97 56.49 1wj4 s GLU 56 Cb 0.01 0.34 -0.04 0.00 0.26 0.00 0.00 34.13 34.71 1wj4 s GLU 56 CO 0.20 -0.09 0.15 -1.14 -0.54 0.00 0.00 175.26 173.84 1wj4 s GLN 57 N 0.24 3.14 0.26 4.30 0.74 -1.26 0.19 119.66 127.28 1wj4 s GLN 57 Ca 0.01 -0.60 -0.04 0.00 0.05 0.00 0.00 55.36 54.78 1wj4 s GLN 57 Cb -0.05 -2.86 -0.02 0.00 1.10 0.00 0.00 33.01 31.18 1wj4 s GLN 57 CO -0.02 0.57 0.33 0.96 -0.55 0.00 0.00 175.29 176.59 1wj4 s ILE 58 N -1.50 0.00 -0.23 -2.34 -4.36 0.11 -4.92 121.20 107.96 1wj4 s ILE 58 Ca 0.32 -1.74 -0.03 0.00 -0.26 0.00 0.00 60.65 58.94 1wj4 s ILE 58 Cb -0.12 -2.45 0.07 0.00 1.25 0.00 0.00 42.46 41.21 1wj4 s ILE 58 CO 0.25 0.00 0.07 -0.89 0.24 0.00 0.00 174.94 174.61 1wj4 s THR 59 N -3.75 0.35 0.29 8.37 2.01 -1.26 -1.19 115.64 120.46 1wj4 s THR 59 Ca 0.33 -0.66 0.11 0.00 0.31 0.00 0.00 61.69 61.78 1wj4 s THR 59 Cb 0.02 -1.04 -0.05 0.00 0.01 0.00 0.00 72.50 71.45 1wj4 s THR 59 CO 0.15 -0.40 -0.10 -0.76 -0.69 0.00 0.00 174.62 172.83 1wj4 s LEU 60 N 1.92 2.83 0.61 4.42 1.43 0.94 -4.87 118.68 125.95 1wj4 s LEU 60 Ca 0.03 -0.94 -0.15 0.00 -1.03 0.00 0.00 54.13 52.04 1wj4 s LEU 60 Cb -0.17 -1.29 -0.03 0.00 0.03 0.00 0.00 46.19 44.73 1wj4 s LEU 60 CO -0.16 -0.05 1.05 -2.16 0.23 0.00 0.00 176.35 175.26 1wj4 s PRO 61 N -3.60 3.30 0.30 1.29 0.04 -1.26 0.19 135.00 135.26 1wj4 s PRO 61 Ca 0.32 1.12 0.10 0.00 0.04 0.00 0.00 61.00 62.58 1wj4 s PRO 61 Cb -0.04 -2.03 0.46 0.00 0.04 0.00 0.00 34.50 32.93 1wj4 s PRO 61 CO 0.17 -0.82 1.67 0.93 0.04 0.00 0.00 177.00 179.00 1wj4 h GLU 62 N 0.23 0.04 0.00 4.56 5.08 -1.93 -2.55 114.58 120.01 1wj4 h GLU 62 Ca -0.46 -0.03 -0.01 0.00 -1.00 0.00 0.00 59.36 57.87 1wj4 h GLU 62 Cb 1.21 0.00 -0.00 0.00 0.50 0.00 0.00 28.75 30.47 1wj4 h GLU 62 CO 0.58 0.56 -0.03 -0.56 -1.00 0.00 0.00 179.01 178.56 1wj4 h GLN 63 N 0.03 0.00 -6.48 2.33 3.07 -1.94 -0.26 115.11 111.86 1wj4 h GLN 63 Ca -0.00 0.00 -0.60 0.00 0.09 0.00 0.00 58.65 58.13 1wj4 h GLN 63 Cb 0.95 0.00 0.07 0.00 0.08 0.00 0.00 27.48 28.58 1wj4 h GLN 63 CO 0.07 0.03 0.63 0.00 0.09 0.00 0.00 178.83 179.65 1wj4 n ALA 64 N -2.11 0.73 -1.82 0.06 0.00 -0.96 -4.51 120.51 111.90 1wj4 n ALA 64 Ca 0.04 0.45 -0.41 0.00 0.00 0.00 0.00 53.44 53.51 1wj4 n ALA 64 Cb 0.52 -2.25 -0.02 0.00 0.00 0.00 0.00 19.45 17.70 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 0.26 4.26 0.42 0.00 -0.14 -1.26 -0.45 119.74 122.84 1wj4 s LYS 65 Ca 0.75 2.34 0.26 0.00 -1.36 0.00 0.00 55.97 57.96 1wj4 s LYS 65 Cb -0.73 -3.07 1.33 0.00 -1.68 0.00 0.00 37.83 33.69 1wj4 s LYS 65 CO 0.45 -0.37 1.66 1.25 -0.76 0.00 0.00 175.35 177.57 1wj4 h LEU 66 N 4.12 0.31 -0.96 3.17 7.12 -1.62 1.90 115.31 129.34 1wj4 h LEU 66 Ca -0.48 0.13 0.13 0.00 0.13 0.00 0.00 57.88 57.79 1wj4 h LEU 66 Cb 1.22 0.11 -0.09 0.00 -0.53 0.00 0.00 40.66 41.37 1wj4 h LEU 66 CO 0.71 -0.13 0.59 0.25 -0.13 0.00 0.00 178.44 179.73 1wj4 h LEU 67 N 0.16 0.83 -0.63 2.25 6.46 -1.86 -0.04 115.31 122.48 1wj4 h LEU 67 Ca 0.77 0.06 0.13 0.00 -0.12 0.00 0.00 57.88 58.71 1wj4 h LEU 67 Cb 2.27 -0.10 -0.12 0.00 -0.73 0.00 0.00 40.66 41.98 1wj4 h LEU 67 CO -0.42 0.42 -0.14 0.00 -0.62 0.00 0.00 178.44 177.68 1wj4 h ALA 68 N 1.55 0.44 -0.12 1.25 0.00 0.27 2.60 119.26 125.24 1wj4 h ALA 68 Ca 0.49 0.24 -0.11 0.00 0.00 0.00 0.00 54.91 55.54 1wj4 h ALA 68 Cb 0.55 0.47 -0.01 0.00 0.00 0.00 0.00 17.79 18.80 1wj4 h ALA 68 CO -0.29 -0.42 -0.41 1.25 0.00 0.00 0.00 179.25 179.38 1wj4 h LEU 69 N 0.01 0.28 -0.10 0.00 5.85 -1.12 -1.70 115.31 118.53 1wj4 h LEU 69 Ca 0.31 -0.12 -0.03 0.00 0.84 0.00 0.00 57.88 58.88 1wj4 h LEU 69 Cb 0.47 -0.08 -0.00 0.00 0.37 0.00 0.00 40.66 41.42 1wj4 h LEU 69 CO -0.64 0.67 -0.05 0.58 -0.34 0.00 0.00 178.44 178.65 1wj4 h VAL 70 N 0.23 1.32 -0.28 1.05 2.07 0.18 -2.76 116.25 118.06 1wj4 h VAL 70 Ca 0.02 -1.09 0.02 0.00 0.82 0.00 0.00 66.70 66.47 1wj4 h VAL 70 Cb 0.82 1.82 -0.01 0.00 -1.52 0.00 0.00 31.29 32.40 1wj4 h VAL 70 CO 0.06 0.31 0.19 0.11 0.02 0.00 0.00 177.57 178.26 1wj4 h LYS 71 N -0.14 0.30 0.06 1.57 1.57 0.43 0.50 116.57 120.86 1wj4 h LYS 71 Ca 0.02 -0.02 -0.00 0.00 -1.87 0.00 0.00 60.65 58.78 1wj4 h LYS 71 Cb 0.51 -0.07 -0.00 0.00 0.08 0.00 0.00 32.23 32.75 1wj4 h LYS 71 CO 0.02 0.20 -0.04 1.25 -0.57 0.00 0.00 179.45 180.31 1wj4 h HIS 72 N 0.31 -0.11 -0.83 -1.35 2.76 -1.03 -0.83 115.15 114.08 1wj4 h HIS 72 Ca 0.11 -0.00 0.16 0.00 -2.20 0.00 0.00 60.37 58.44 1wj4 h HIS 72 Cb 0.07 0.04 -0.06 0.00 1.55 0.00 0.00 27.41 29.01 1wj4 h HIS 72 CO -0.00 -0.06 0.54 -0.39 -1.30 0.00 0.00 177.93 176.73 1wj4 h VAL 73 N -0.10 0.78 -0.47 5.26 -1.51 -1.33 0.19 116.25 119.07 1wj4 h VAL 73 Ca -0.01 -0.17 0.09 0.00 -1.23 0.00 0.00 66.70 65.38 1wj4 h VAL 73 Cb 0.08 0.24 -0.08 0.00 -2.13 0.00 0.00 31.29 29.40 1wj4 h VAL 73 CO 0.01 0.09 0.00 -0.61 -1.23 0.00 0.00 177.57 175.83 1wj4 h GLN 74 N 0.50 0.11 0.00 5.19 4.15 -0.51 0.97 115.11 125.53 1wj4 h GLN 74 Ca 0.41 -0.01 -0.12 0.00 0.77 0.00 0.00 58.65 59.71 1wj4 h GLN 74 Cb 0.87 -0.03 -0.02 0.00 0.21 0.00 0.00 27.48 28.52 1wj4 h GLN 74 CO -0.16 0.07 -0.57 0.77 -1.93 0.00 0.00 178.83 177.01 1wj4 h SER 75 N 0.11 0.00 -0.84 -0.69 0.02 0.45 -2.92 113.55 109.68 1wj4 h SER 75 Ca 0.24 0.00 0.06 0.00 -0.84 0.00 0.00 61.79 61.25 1wj4 h SER 75 Cb 0.35 0.00 -0.05 0.00 0.14 0.00 0.00 62.40 62.84 1wj4 h SER 75 CO -0.39 0.57 0.55 0.11 -1.14 0.00 0.00 176.83 176.53 1wj4 h LYS 76 N 0.00 0.92 0.00 3.45 1.79 0.56 -3.45 116.57 119.85 1wj4 h LYS 76 Ca -0.01 -0.06 0.00 0.00 -2.18 0.00 0.00 60.65 58.41 1wj4 h LYS 76 Cb 1.09 -0.21 0.00 0.00 -1.58 0.00 0.00 32.23 31.53 1wj4 h LYS 76 CO 0.07 0.61 0.00 0.41 -1.08 0.00 0.00 179.45 179.47 1wj4 n GLY 77 N -1.41 0.32 3.15 3.86 0.00 -0.47 -5.09 105.19 105.55 1wj4 n GLY 77 Ca 0.12 0.00 0.03 0.00 0.00 0.00 0.00 46.02 46.18 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 -0.12 -1.65 0.04 1.61 1.51 -1.05 -5.02 117.35 112.67 1wj4 s TYR 78 Ca 0.00 0.79 -0.30 0.00 -1.01 0.00 0.00 57.07 56.54 1wj4 s TYR 78 Cb 0.00 0.29 -0.05 0.00 -0.11 0.00 0.00 41.96 42.09 1wj4 s TYR 78 CO 0.00 -1.00 1.17 -1.25 -1.11 0.00 0.00 175.55 173.36 1wj4 s PRO 79 N 2.59 4.44 0.12 -1.71 0.04 -1.26 -3.36 135.00 135.86 1wj4 s PRO 79 Ca 0.13 1.72 -0.24 0.00 0.04 0.00 0.00 61.00 62.65 1wj4 s PRO 79 Cb -0.07 -3.38 -0.06 0.00 0.04 0.00 0.00 34.50 31.03 1wj4 s PRO 79 CO -0.21 -0.24 1.41 -0.97 0.04 0.00 0.00 177.00 177.03 1wj4 h ASN 80 N 6.85 -1.58 -1.85 6.66 -1.24 -1.90 1.85 115.58 124.36 1wj4 h ASN 80 Ca -0.41 0.23 0.54 0.00 0.71 0.00 0.00 56.30 57.37 1wj4 h ASN 80 Cb 1.21 0.69 -0.07 0.00 0.73 0.00 0.00 38.32 40.88 1wj4 h ASN 80 CO 0.81 -0.21 1.33 -1.84 -1.29 0.00 0.00 177.43 176.23 1wj4 n GLU 81 N -4.71 -0.00 0.00 6.67 0.28 -1.26 -2.23 120.64 119.39 1wj4 n GLU 81 Ca 0.00 1.01 0.00 0.00 -0.16 0.00 0.00 57.16 58.01 1wj4 n GLU 81 Cb 0.21 -2.33 0.00 0.00 1.43 0.00 0.00 31.44 30.75 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 0.00 -3.65 3.44 1.74 0.56 -4.81 116.66 110.15 1wj4 n ARG 82 Ca 0.42 0.05 -0.36 0.00 -0.77 0.00 0.00 57.85 57.19 1wj4 n ARG 82 Cb 1.89 -0.36 -0.07 0.00 -1.02 0.00 0.00 32.46 32.90 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 -0.52 3.48 0.16 -1.55 0.40 0.28 0.19 117.98 120.42 1wj4 s PHE 83 Ca 0.00 0.52 0.01 0.00 -0.60 0.00 0.00 56.93 56.86 1wj4 s PHE 83 Cb 0.00 -2.22 -0.04 0.00 0.51 0.00 0.00 43.02 41.27 1wj4 s PHE 83 CO 0.00 0.35 0.32 -1.83 0.70 0.00 0.00 175.22 174.76 1wj4 s GLU 84 N 0.12 3.47 -0.15 0.44 -1.05 0.28 -3.42 118.70 118.39 1wj4 s GLU 84 Ca 0.14 -0.48 -0.12 0.00 -0.15 0.00 0.00 54.97 54.36 1wj4 s GLU 84 Cb -0.12 -2.92 -0.05 0.00 -0.44 0.00 0.00 34.13 30.60 1wj4 s GLU 84 CO 0.02 0.48 0.23 -0.51 0.95 0.00 0.00 175.26 176.44 1wj4 s LEU 85 N -3.19 4.27 0.45 1.83 1.43 -1.26 -0.97 118.68 121.25 1wj4 s LEU 85 Ca 0.36 0.46 0.05 0.00 -1.03 0.00 0.00 54.13 53.96 1wj4 s LEU 85 Cb -0.11 -2.26 -0.05 0.00 0.03 0.00 0.00 46.19 43.79 1wj4 s LEU 85 CO 0.29 0.18 0.01 -0.76 0.23 0.00 0.00 176.35 176.30 1wj4 s LEU 86 N 0.10 2.64 0.00 1.79 1.43 0.53 -1.17 118.68 124.02 1wj4 s LEU 86 Ca 0.14 -1.48 0.00 0.00 -1.03 0.00 0.00 54.13 51.77 1wj4 s LEU 86 Cb -0.13 -0.85 0.00 0.00 0.03 0.00 0.00 46.19 45.25 1wj4 s LEU 86 CO 0.03 -0.62 0.00 0.35 0.23 0.00 0.00 176.35 176.34 1wj4 n THR 87 N -1.10 0.00 -2.35 5.49 -2.24 -0.56 0.14 114.28 113.65 1wj4 n THR 87 Ca -0.11 0.00 -0.25 0.00 -2.27 0.00 0.00 64.05 61.42 1wj4 n THR 87 Cb 0.67 -0.04 0.11 0.00 -2.10 0.00 0.00 70.33 68.97 1wj4 n THR 87 CO 0.00 0.00 0.00 0.21 -0.57 0.00 0.00 175.07 174.71 1wj4 s ASN 88 N -0.88 4.31 0.12 3.42 3.04 -1.14 -4.53 114.94 119.28 1wj4 s ASN 88 Ca 0.00 0.02 -0.17 0.00 0.04 0.00 0.00 52.86 52.75 1wj4 s ASN 88 Cb 0.00 -0.46 -0.10 0.00 -1.54 0.00 0.00 41.25 39.15 1wj4 s ASN 88 CO 0.00 -1.90 0.32 2.22 -3.04 0.00 0.00 177.10 174.70 1wj4 n PHE 89 N -3.00 -0.27 -0.02 0.43 -1.74 -1.26 -3.07 117.46 108.53 1wj4 n PHE 89 Ca 0.12 0.58 -0.16 0.00 -0.56 0.00 0.00 57.45 57.44 1wj4 n PHE 89 Cb 0.60 -1.17 -0.11 0.00 1.52 0.00 0.00 39.48 40.33 1wj4 n PHE 89 CO 0.00 0.00 0.00 -1.00 -0.56 0.00 0.00 176.76 175.20 1wj4 h PRO 90 N 0.63 0.28 0.00 3.97 0.13 -2.05 -3.46 132.00 131.50 1wj4 h PRO 90 Ca -0.17 -0.27 0.00 0.00 -0.87 0.00 0.00 66.00 64.68 1wj4 h PRO 90 Cb 0.86 0.07 0.00 0.00 0.13 0.00 0.00 31.00 32.06 1wj4 h PRO 90 CO 0.34 0.96 0.00 0.54 -0.23 0.00 0.00 178.00 179.61 1wj4 n ARG 91 N -4.41 0.00 -4.16 0.86 5.12 -1.17 -5.08 116.66 107.82 1wj4 n ARG 91 Ca -0.09 0.00 -0.34 0.00 -1.93 0.00 0.00 57.85 55.48 1wj4 n ARG 91 Cb 0.55 0.00 -0.11 0.00 -1.16 0.00 0.00 32.46 31.73 1wj4 n ARG 91 CO 0.00 0.00 0.00 1.03 -1.93 0.00 0.00 177.63 176.73 1wj4 s ARG 92 N 0.00 3.80 -0.20 5.56 0.52 -1.26 -4.95 118.95 122.42 1wj4 s ARG 92 Ca 0.00 -0.44 -0.20 0.00 -0.52 0.00 0.00 55.73 54.58 1wj4 s ARG 92 Cb 0.00 -3.09 -0.03 0.00 0.52 0.00 0.00 34.95 32.35 1wj4 s ARG 92 CO 0.00 0.21 0.57 0.15 0.02 0.00 0.00 175.30 176.25 1wj4 s LYS 93 N 0.49 4.19 -1.19 3.54 1.02 -1.26 -1.50 119.74 125.03 1wj4 s LYS 93 Ca 0.00 0.51 -0.19 0.00 0.02 0.00 0.00 55.97 56.31 1wj4 s LYS 93 Cb -0.13 -3.58 0.08 0.00 -0.52 0.00 0.00 37.83 33.68 1wj4 s LYS 93 CO 0.02 -0.21 1.59 -0.51 -0.92 0.00 0.00 175.35 175.32 1wj4 s LEU 94 N 1.82 3.93 0.19 3.17 1.43 -0.31 -4.01 118.68 124.89 1wj4 s LEU 94 Ca 0.26 -2.19 0.00 0.00 -1.03 0.00 0.00 54.13 51.17 1wj4 s LEU 94 Cb -0.16 -2.55 0.00 0.00 0.03 0.00 0.00 46.19 43.51 1wj4 s LEU 94 CO 0.10 -1.22 0.00 -0.24 0.23 0.00 0.00 176.35 175.22 1wj4 n SER 95 N 8.17 -1.69 -0.38 2.29 2.88 -1.26 -4.56 113.62 119.07 1wj4 n SER 95 Ca 0.42 0.42 -0.05 0.00 -1.33 0.00 0.00 58.87 58.33 1wj4 n SER 95 Cb 0.47 1.81 -0.01 0.00 -0.75 0.00 0.00 64.21 65.74 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 -1.35 0.00 0.66 2.07 -2.01 -3.00 115.15 111.53 1wj4 h HIS 96 Ca 0.00 0.11 0.00 0.00 -2.85 0.00 0.00 60.37 57.63 1wj4 h HIS 96 Cb 0.00 0.73 0.00 0.00 2.57 0.00 0.00 27.41 30.71 1wj4 h HIS 96 CO 0.00 -0.40 0.00 1.47 -3.07 0.00 0.00 177.93 175.93 1wj4 n LEU 97 N -5.40 0.00 0.00 6.12 -0.00 -1.26 -5.00 117.00 111.46 1wj4 n LEU 97 Ca 0.07 0.00 0.00 0.00 -0.00 0.00 0.00 56.01 56.08 1wj4 n LEU 97 Cb 0.35 0.00 0.00 0.00 -0.00 0.00 0.00 43.42 43.77 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 0.00 0.00 -0.52 1.45 9.92 -1.13 -5.01 116.55 121.26 1wj4 n ASP 98 Ca 0.00 0.00 0.06 0.00 -0.53 0.00 0.00 54.79 54.32 1wj4 n ASP 98 Cb 0.00 0.00 0.09 0.00 -0.64 0.00 0.00 41.12 40.57 1wj4 n ASP 98 CO 0.00 0.00 0.00 -1.22 0.13 0.00 0.00 177.20 176.11 1wj4 n TYR 99 N -0.39 0.17 0.90 1.24 4.01 -1.26 -4.32 117.16 117.51 1wj4 n TYR 99 Ca 0.00 -0.19 0.11 0.00 -0.16 0.00 0.00 57.90 57.66 1wj4 n TYR 99 Cb 0.00 -0.01 0.04 0.00 -0.31 0.00 0.00 39.34 39.06 1wj4 n TYR 99 CO 0.00 0.00 0.00 -3.47 -0.46 0.00 0.00 176.86 172.93 1wj4 n ASP 100 N 0.58 0.73 -3.19 7.72 2.03 -1.26 -3.20 116.55 119.97 1wj4 n ASP 100 Ca 0.08 -0.57 0.00 0.00 0.52 0.00 0.00 54.79 54.82 1wj4 n ASP 100 Cb 0.33 0.72 0.00 0.00 -0.72 0.00 0.00 41.12 41.45 1wj4 n ASP 100 CO 0.00 0.00 0.00 2.30 -1.92 0.00 0.00 177.20 177.58 1wj4 n ILE 101 N -1.60 0.00 -4.40 5.18 -5.35 -1.26 -4.89 119.36 107.04 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 0.36 -1.44 -0.12 0.00 -1.74 0.00 0.00 39.64 36.70 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 -0.09 2.37 0.56 7.28 -4.23 -1.26 -3.51 115.64 116.75 1wj4 s THR 102 Ca 0.00 -1.89 0.49 0.00 -1.18 0.00 0.00 61.69 59.11 1wj4 s THR 102 Cb 0.00 -2.10 0.72 0.00 1.34 0.00 0.00 72.50 72.46 1wj4 s THR 102 CO 0.00 -0.03 1.56 -0.07 -0.54 0.00 0.00 174.62 175.55 1wj4 h LEU 103 N 3.48 0.00 0.19 4.79 3.38 0.11 1.18 115.31 128.44 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 0.00 178.44 178.27 1wj4 h GLN 104 N 0.00 -0.25 -0.32 1.13 4.15 -1.82 0.44 115.11 118.44 1wj4 h GLN 104 Ca 0.91 0.02 0.07 0.00 0.77 0.00 0.00 58.65 60.42 1wj4 h GLN 104 Cb 3.72 0.06 -0.07 0.00 0.21 0.00 0.00 27.48 31.39 1wj4 h GLN 104 CO -0.01 0.15 -0.13 0.93 -1.93 0.00 0.00 178.83 177.84 1wj4 h GLU 105 N -0.82 -0.07 -0.25 1.69 5.08 0.10 0.46 114.58 120.78 1wj4 h GLU 105 Ca -0.03 0.00 0.07 0.00 -1.00 0.00 0.00 59.36 58.41 1wj4 h GLU 105 Cb 0.52 0.02 -0.01 0.00 0.50 0.00 0.00 28.75 29.77 1wj4 h GLU 105 CO 0.04 -0.05 0.26 0.00 -1.00 0.00 0.00 179.01 178.27 1wj4 h ALA 106 N 1.20 1.92 -0.83 3.43 0.00 -1.24 -3.45 119.26 120.28 1wj4 h ALA 106 Ca 0.16 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 55.07 1wj4 h ALA 106 Cb 0.32 0.02 0.00 0.00 0.00 0.00 0.00 17.79 18.13 1wj4 h ALA 106 CO -0.38 -0.39 0.00 0.41 0.00 0.00 0.00 179.25 178.89 1wj4 n GLY 107 N -1.44 0.70 0.03 0.00 0.00 0.16 -4.98 105.19 99.66 1wj4 n GLY 107 Ca 0.03 -0.30 -0.01 0.00 0.00 0.00 0.00 46.02 45.74 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 -0.41 0.00 -4.82 0.99 7.99 0.15 -4.87 117.00 116.03 1wj4 n LEU 108 Ca 0.00 0.00 -0.35 0.00 -0.01 0.00 0.00 56.01 55.65 1wj4 n LEU 108 Cb 0.27 0.12 -0.06 0.00 -0.11 0.00 0.00 43.42 43.64 1wj4 n LEU 108 CO 0.00 0.12 0.48 0.00 -1.51 0.00 0.00 177.39 176.49 1wj4 h PRO 110 N 2.87 0.19 -4.56 0.00 0.13 -1.94 -3.47 132.00 125.22 1wj4 h PRO 110 Ca -0.48 -0.19 -0.50 0.00 -0.87 0.00 0.00 66.00 63.97 1wj4 h PRO 110 Cb 1.19 0.05 -0.33 0.00 0.13 0.00 0.00 31.00 32.03 1wj4 h PRO 110 CO 0.65 0.89 -0.81 1.14 -0.23 0.00 0.00 178.00 179.64 1wj4 s GLN 111 N -3.28 1.56 0.02 0.86 -2.07 -1.04 -2.16 119.66 113.53 1wj4 s GLN 111 Ca -0.16 -0.39 -0.07 0.00 -1.82 0.00 0.00 55.36 52.93 1wj4 s GLN 111 Cb 0.01 -1.31 -0.00 0.00 -1.09 0.00 0.00 33.01 30.62 1wj4 s GLN 111 CO 0.74 0.04 0.12 -2.00 -1.32 0.00 0.00 175.29 172.88 1wj4 s GLU 112 N 0.59 0.53 -0.45 9.60 2.56 -0.68 -4.97 118.70 125.88 1wj4 s GLU 112 Ca -0.12 -0.54 -0.18 0.00 0.00 0.00 0.00 54.97 54.13 1wj4 s GLU 112 Cb -0.15 0.21 0.04 0.00 2.00 0.00 0.00 34.13 36.23 1wj4 s GLU 112 CO 0.03 -0.13 0.49 0.99 -0.56 0.00 0.00 175.26 176.08 1wj4 s THR 113 N -1.87 5.04 0.00 -1.70 2.01 -1.26 -2.01 115.64 115.86 1wj4 s THR 113 Ca -0.11 -0.46 -0.23 0.00 0.31 0.00 0.00 61.69 61.20 1wj4 s THR 113 Cb -0.05 -4.12 -0.05 0.00 0.01 0.00 0.00 72.50 68.29 1wj4 s THR 113 CO -0.01 -0.55 0.71 -0.69 -0.69 0.00 0.00 174.62 173.39 1wj4 s VAL 114 N 2.22 4.86 -0.05 3.82 1.01 0.13 -2.87 120.40 129.52 1wj4 s VAL 114 Ca 0.12 1.49 0.04 0.00 0.00 0.00 0.00 61.98 63.63 1wj4 s VAL 114 Cb -0.18 -4.05 -0.03 0.00 0.00 0.00 0.00 36.38 32.12 1wj4 s VAL 114 CO 0.13 0.35 -0.15 -0.36 0.00 0.00 0.00 175.10 175.07 1wj4 s PHE 115 N 0.13 2.69 -0.24 5.22 0.40 0.37 -0.05 117.98 126.51 1wj4 s PHE 115 Ca 0.36 -0.16 -0.08 0.00 -0.60 0.00 0.00 56.93 56.45 1wj4 s PHE 115 Cb -0.19 -1.63 -0.03 0.00 0.51 0.00 0.00 43.02 41.68 1wj4 s PHE 115 CO 0.20 0.18 0.08 0.08 0.70 0.00 0.00 175.22 176.47 1wj4 s VAL 116 N -0.73 4.51 0.17 -0.44 1.01 0.30 0.20 120.40 125.42 1wj4 s VAL 116 Ca 0.11 -0.11 0.01 0.00 0.00 0.00 0.00 61.98 61.99 1wj4 s VAL 116 Cb -0.11 -3.10 -0.05 0.00 0.00 0.00 0.00 36.38 33.13 1wj4 s VAL 116 CO 0.00 0.35 0.03 0.00 0.00 0.00 0.00 175.10 175.48 1wj4 s GLN 117 N 1.39 1.10 -0.06 2.72 -2.07 -0.14 -3.23 119.66 119.38 1wj4 s GLN 117 Ca 0.05 -1.54 -0.30 0.00 -1.82 0.00 0.00 55.36 51.76 1wj4 s GLN 117 Cb -0.15 -0.14 -0.03 0.00 -1.09 0.00 0.00 33.01 31.61 1wj4 s GLN 117 CO 0.04 -0.19 1.13 -1.21 -1.32 0.00 0.00 175.29 173.75 1wj4 s GLU 118 N -3.96 4.39 -0.42 9.60 2.02 -1.26 0.99 118.70 130.05 1wj4 s GLU 118 Ca 0.26 1.58 -0.18 0.00 0.02 0.00 0.00 54.97 56.66 1wj4 s GLU 118 Cb 0.07 -3.53 0.02 0.00 0.10 0.00 0.00 34.13 30.78 1wj4 s GLU 118 CO 0.05 -0.38 0.46 0.45 0.02 0.00 0.00 175.26 175.86 1wj4 s SER 119 N 1.31 6.21 0.00 -0.19 0.15 0.50 -4.72 113.70 116.96 1wj4 s SER 119 Ca 0.54 -0.59 0.00 0.00 0.70 0.00 0.00 55.95 56.60 1wj4 s SER 119 Cb -0.23 -2.24 0.00 0.00 -1.71 0.00 0.00 66.02 61.85 1wj4 s SER 119 CO 0.22 -0.59 0.00 0.61 1.20 0.00 0.00 173.24 174.68 1wj4 n GLY 120 N 5.08 5.31 3.58 9.45 0.00 -1.26 -4.71 105.19 122.64 1wj4 n GLY 120 Ca -0.07 -1.74 -0.42 0.00 0.00 0.00 0.00 46.02 43.79 1wj4 n GLY 120 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 1wj4 s PRO 121 N 1.91 3.37 -0.24 1.61 0.04 -1.26 -4.94 135.00 135.50 1wj4 s PRO 121 Ca 0.00 0.69 -0.28 0.00 0.04 0.00 0.00 61.00 61.45 1wj4 s PRO 121 Cb 0.00 -4.10 -0.05 0.00 0.04 0.00 0.00 34.50 30.39 1wj4 s PRO 121 CO 0.00 -1.83 2.21 0.45 0.04 0.00 0.00 177.00 177.86 1wj4 s SER 122 N 4.51 5.43 -0.29 6.66 0.15 -1.26 -4.93 113.70 123.97 1wj4 s SER 122 Ca 0.58 1.82 -0.04 0.00 0.70 0.00 0.00 55.95 59.01 1wj4 s SER 122 Cb -0.12 -2.51 0.03 0.00 -1.71 0.00 0.00 66.02 61.70 1wj4 s SER 122 CO 0.28 -1.99 0.02 -0.94 1.20 0.00 0.00 173.24 171.81 1wj4 s SER 123 N 8.37 4.86 0.00 5.45 1.04 -1.26 -5.31 113.70 126.85 1wj4 s SER 123 Ca 0.99 -0.97 0.12 0.00 0.48 0.00 0.00 55.95 56.57 1wj4 s SER 123 Cb -0.32 -1.77 0.10 0.00 0.10 0.00 0.00 66.02 64.13 1wj4 s SER 123 CO 0.35 -0.21 0.88 0.61 0.98 0.00 0.00 173.24 175.84