#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 -3.57 1.61 7.64 -1.26 -5.19 113.62 112.85 1wj4 n SER 2 Ca 0.00 0.00 0.04 0.00 1.01 0.00 0.00 58.87 59.92 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 -0.55 -3.01 0.00 0.00 175.04 171.48 1wj4 s SER 3 N 0.00 -0.01 0.00 6.43 0.15 -1.26 -5.19 113.70 113.82 1wj4 s SER 3 Ca 0.00 -0.03 0.00 0.00 0.70 0.00 0.00 55.95 56.62 1wj4 s SER 3 Cb 0.00 0.03 0.00 0.00 -1.71 0.00 0.00 66.02 64.34 1wj4 s SER 3 CO 0.00 -0.06 0.00 0.61 1.20 0.00 0.00 173.24 174.99 1wj4 n GLY 4 N -0.51 3.56 0.00 9.45 0.00 -1.26 -5.19 105.19 111.24 1wj4 n GLY 4 Ca -0.09 -0.52 0.00 0.00 0.00 0.00 0.00 46.02 45.40 1wj4 n GLY 4 CO 0.00 0.00 0.00 -1.26 0.00 0.00 0.00 173.32 172.06 1wj4 n SER 5 N 0.00 0.00 -3.63 1.61 2.88 -1.26 -5.19 113.62 108.03 1wj4 n SER 5 Ca 0.00 0.00 -0.03 0.00 -1.33 0.00 0.00 58.87 57.51 1wj4 n SER 5 Cb 0.00 0.00 -0.04 0.00 -0.75 0.00 0.00 64.21 63.42 1wj4 n SER 5 CO 0.00 0.00 0.00 -0.94 -1.23 0.00 0.00 175.04 172.87 1wj4 s SER 6 N 0.00 -0.08 0.00 -3.46 1.04 -1.26 -5.19 113.70 104.75 1wj4 s SER 6 Ca 0.00 0.06 0.00 0.00 0.48 0.00 0.00 55.95 56.49 1wj4 s SER 6 Cb 0.00 0.07 0.00 0.00 0.10 0.00 0.00 66.02 66.19 1wj4 s SER 6 CO 0.00 -0.09 0.00 0.61 0.98 0.00 0.00 173.24 174.74 1wj4 n GLY 7 N 0.37 -0.24 3.48 7.32 0.00 -1.26 -5.18 105.19 109.67 1wj4 n GLY 7 Ca -0.00 -1.24 -0.10 0.00 0.00 0.00 0.00 46.02 44.69 1wj4 n GLY 7 CO 0.00 0.00 0.00 -1.08 0.00 0.00 0.00 173.32 172.24 1wj4 s THR 8 N -2.00 0.03 0.16 2.61 -1.32 -1.26 -5.08 115.64 108.78 1wj4 s THR 8 Ca 0.00 -0.80 0.00 0.00 -1.21 0.00 0.00 61.69 59.68 1wj4 s THR 8 Cb 0.00 -1.55 0.00 0.00 -1.51 0.00 0.00 72.50 69.44 1wj4 s THR 8 CO 0.00 -0.16 0.00 0.00 -2.21 0.00 0.00 174.62 172.25 1wj4 n ALA 9 N -0.32 0.44 -0.38 11.08 0.00 -1.26 -5.16 120.51 124.91 1wj4 n ALA 9 Ca -0.11 0.00 0.02 0.00 0.00 0.00 0.00 53.44 53.36 1wj4 n ALA 9 Cb 0.63 0.00 -0.01 0.00 0.00 0.00 0.00 19.45 20.07 1wj4 n ALA 9 CO 0.00 0.00 0.00 -2.37 0.00 0.00 0.00 177.50 175.13 1wj4 n THR 10 N -2.85 0.00 0.00 0.00 5.66 -1.26 -5.02 114.28 110.82 1wj4 n THR 10 Ca 0.00 0.00 0.00 0.00 -3.05 0.00 0.00 64.05 61.00 1wj4 n THR 10 Cb 0.00 -0.06 0.00 0.00 -1.55 0.00 0.00 70.33 68.72 1wj4 n THR 10 CO 0.00 0.00 0.00 -0.46 -3.05 0.00 0.00 175.07 171.56 1wj4 n ASN 11 N -3.94 0.00 -3.62 1.09 6.94 -1.26 -5.19 115.26 109.29 1wj4 n ASN 11 Ca 0.00 0.00 0.00 0.00 -0.02 0.00 0.00 54.58 54.57 1wj4 n ASN 11 Cb 0.08 0.00 -0.01 0.00 -2.36 0.00 0.00 39.78 37.49 1wj4 n ASN 11 CO 0.00 0.00 0.00 -1.38 -1.03 0.00 0.00 177.26 174.85 1wj4 s HIS 12 N -2.00 -0.06 -0.19 -2.53 -3.43 -1.26 -5.19 115.29 100.63 1wj4 s HIS 12 Ca 0.00 -0.03 -0.36 0.00 -0.80 0.00 0.00 55.06 53.87 1wj4 s HIS 12 Cb 0.00 0.54 0.15 0.00 -1.43 0.00 0.00 32.58 31.84 1wj4 s HIS 12 CO 0.00 -0.26 1.43 -1.14 -2.00 0.00 0.00 174.74 172.77 1wj4 s GLN 13 N -2.42 0.00 0.00 -0.38 0.74 -1.26 -5.18 119.66 111.16 1wj4 s GLN 13 Ca 0.13 -0.00 0.00 0.00 0.05 0.00 0.00 55.36 55.54 1wj4 s GLN 13 Cb 0.04 0.00 0.00 0.00 1.10 0.00 0.00 33.01 34.15 1wj4 s GLN 13 CO -0.04 -0.00 0.00 0.41 -0.55 0.00 0.00 175.29 175.11 1wj4 n GLY 14 N -0.27 5.25 3.50 2.59 0.00 -1.26 -5.19 105.19 109.81 1wj4 n GLY 14 Ca -0.03 -1.21 -0.13 0.00 0.00 0.00 0.00 46.02 44.65 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 -0.52 0.00 0.99 1.43 -1.26 -5.18 118.68 114.14 1wj4 s LEU 15 Ca 0.00 0.33 -0.13 0.00 -1.03 0.00 0.00 54.13 53.31 1wj4 s LEU 15 Cb 0.00 2.31 0.18 0.00 0.03 0.00 0.00 46.19 48.71 1wj4 s LEU 15 CO 0.00 -0.65 0.82 -0.81 0.23 0.00 0.00 176.35 175.95 1wj4 n PRO 16 N 0.32 -1.66 -4.19 1.29 -0.04 -1.26 -5.08 135.00 124.38 1wj4 n PRO 16 Ca -0.15 -1.29 -0.22 0.00 -0.04 0.00 0.00 63.50 61.80 1wj4 n PRO 16 Cb 0.60 -1.02 -0.17 0.00 -0.04 0.00 0.00 33.50 32.88 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 0.85 0.67 0.55 0.00 -1.26 -5.14 121.76 113.93 1wj4 s ALA 17 Ca 0.50 -0.18 -0.14 0.00 0.00 0.00 0.00 51.96 52.13 1wj4 s ALA 17 Cb -0.03 -0.53 0.00 0.00 0.00 0.00 0.00 23.12 22.57 1wj4 s ALA 17 CO 0.36 -0.07 1.10 0.14 0.00 0.00 0.00 175.76 177.29 1wj4 s VAL 18 N 1.04 3.37 0.15 0.00 -7.23 -1.26 -5.06 120.40 111.41 1wj4 s VAL 18 Ca -0.09 0.60 -0.16 0.00 -1.81 0.00 0.00 61.98 60.53 1wj4 s VAL 18 Cb -0.14 -3.13 0.03 0.00 0.56 0.00 0.00 36.38 33.70 1wj4 s VAL 18 CO -0.00 -0.43 0.42 -0.62 -0.31 0.00 0.00 175.10 174.16 1wj4 s ASP 19 N -2.77 -0.21 -0.32 4.85 -1.08 -1.26 -5.14 116.67 110.74 1wj4 s ASP 19 Ca 0.65 -0.41 -0.02 0.00 -0.52 0.00 0.00 52.55 52.25 1wj4 s ASP 19 Cb -0.19 0.50 0.06 0.00 -1.46 0.00 0.00 42.92 41.82 1wj4 s ASP 19 CO 0.43 -0.91 0.04 -0.94 0.52 0.00 0.00 175.17 174.32 1wj4 s SER 20 N -2.84 4.98 -0.02 -0.34 1.04 -1.26 -4.93 113.70 110.33 1wj4 s SER 20 Ca 0.06 -1.40 -0.07 0.00 0.48 0.00 0.00 55.95 55.02 1wj4 s SER 20 Cb 0.01 -1.74 -0.02 0.00 0.10 0.00 0.00 66.02 64.37 1wj4 s SER 20 CO -0.09 -0.31 -0.14 -0.62 0.98 0.00 0.00 173.24 173.06 1wj4 n GLU 21 N 4.63 0.22 -2.45 4.02 1.02 -1.26 -4.59 120.64 122.23 1wj4 n GLU 21 Ca -0.11 0.09 -0.41 0.00 -0.02 0.00 0.00 57.16 56.71 1wj4 n GLU 21 Cb 0.43 -0.87 -0.04 0.00 -0.02 0.00 0.00 31.44 30.94 1wj4 n GLU 21 CO 0.00 0.00 0.00 0.42 1.18 0.00 0.00 177.13 178.73 1wj4 s ILE 22 N -2.34 3.61 0.12 -3.67 1.01 -1.26 -4.74 121.20 113.93 1wj4 s ILE 22 Ca -0.12 1.46 0.07 0.00 0.00 0.00 0.00 60.65 62.06 1wj4 s ILE 22 Cb 0.02 -3.93 -0.04 0.00 0.01 0.00 0.00 42.46 38.52 1wj4 s ILE 22 CO 0.18 0.28 -0.17 -0.76 0.00 0.00 0.00 174.94 174.47 1wj4 s LEU 23 N -0.74 2.35 -1.33 2.97 1.43 -1.26 -5.06 118.68 117.05 1wj4 s LEU 23 Ca 0.49 -0.75 -0.13 0.00 -1.03 0.00 0.00 54.13 52.71 1wj4 s LEU 23 Cb -0.32 -0.72 0.11 0.00 0.03 0.00 0.00 46.19 45.30 1wj4 s LEU 23 CO 0.38 -0.04 1.89 -0.62 0.23 0.00 0.00 176.35 178.19 1wj4 n GLU 24 N 0.80 3.27 -1.76 1.70 1.02 -1.26 -4.83 120.64 119.58 1wj4 n GLU 24 Ca -0.17 -3.25 0.00 0.00 -0.02 0.00 0.00 57.16 53.72 1wj4 n GLU 24 Cb 0.55 -3.15 0.00 0.00 -0.02 0.00 0.00 31.44 28.82 1wj4 n GLU 24 CO 0.00 0.00 0.00 -1.33 1.18 0.00 0.00 177.13 176.98 1wj4 n MET 25 N 5.60 -4.98 -2.53 3.49 2.81 -1.26 -4.90 117.12 115.35 1wj4 n MET 25 Ca 0.45 3.66 -0.37 0.00 -1.81 0.00 0.00 57.70 59.62 1wj4 n MET 25 Cb 0.40 -4.07 -0.04 0.00 -0.71 0.00 0.00 33.22 28.80 1wj4 n MET 25 CO 0.00 0.00 0.00 -1.25 1.51 0.00 0.00 175.97 176.23 1wj4 s PRO 26 N -2.95 4.20 0.21 0.03 0.04 -1.26 -5.01 135.00 130.26 1wj4 s PRO 26 Ca 0.00 1.55 -0.30 0.00 0.04 0.00 0.00 61.00 62.29 1wj4 s PRO 26 Cb 0.00 -2.61 -0.08 0.00 0.04 0.00 0.00 34.50 31.85 1wj4 s PRO 26 CO 0.00 -0.11 1.11 -1.25 0.04 0.00 0.00 177.00 176.78 1wj4 s PRO 27 N -2.39 4.60 -0.10 0.56 0.04 -1.26 -5.04 135.00 131.41 1wj4 s PRO 27 Ca 0.56 1.76 0.03 0.00 0.04 0.00 0.00 61.00 63.39 1wj4 s PRO 27 Cb -0.23 -3.25 0.01 0.00 0.04 0.00 0.00 34.50 31.07 1wj4 s PRO 27 CO 0.29 0.10 -0.20 -1.83 0.04 0.00 0.00 177.00 175.41 1wj4 s GLU 28 N -0.66 2.62 -0.30 4.56 -1.05 -1.26 -5.05 118.70 117.56 1wj4 s GLU 28 Ca 0.48 -0.72 -0.08 0.00 -0.15 0.00 0.00 54.97 54.50 1wj4 s GLU 28 Cb -0.30 -2.07 0.18 0.00 -0.44 0.00 0.00 34.13 31.49 1wj4 s GLU 28 CO 0.37 0.06 0.86 0.21 0.95 0.00 0.00 175.26 177.71 1wj4 s LYS 29 N 0.62 0.35 -0.01 -4.83 2.36 -1.26 -5.16 119.74 111.81 1wj4 s LYS 29 Ca -0.13 0.60 0.06 0.00 -2.55 0.00 0.00 55.97 53.95 1wj4 s LYS 29 Cb -0.16 0.33 -0.02 0.00 -1.05 0.00 0.00 37.83 36.93 1wj4 s LYS 29 CO 0.04 -0.39 -0.20 0.00 1.55 0.00 0.00 175.35 176.35 1wj4 s ALA 30 N 2.91 1.64 0.25 3.13 0.00 -1.26 -5.01 121.76 123.42 1wj4 s ALA 30 Ca 0.09 -0.86 0.00 0.00 0.00 0.00 0.00 51.96 51.19 1wj4 s ALA 30 Cb -0.12 -0.41 0.00 0.00 0.00 0.00 0.00 23.12 22.59 1wj4 s ALA 30 CO -0.16 0.40 0.00 -3.47 0.00 0.00 0.00 175.76 172.53 1wj4 n ASP 31 N 2.55 -7.87 -3.63 0.00 -0.08 -1.26 -5.08 116.55 101.18 1wj4 n ASP 31 Ca -0.15 1.10 -0.11 0.00 -1.51 0.00 0.00 54.79 54.12 1wj4 n ASP 31 Cb 0.53 -4.06 -0.05 0.00 2.34 0.00 0.00 41.12 39.88 1wj4 n ASP 31 CO 0.00 0.00 0.00 -0.83 0.12 0.00 0.00 177.20 176.49 1wj4 s GLY 32 N -1.22 -0.29 -1.03 0.27 0.00 -1.26 -5.09 107.32 98.69 1wj4 s GLY 32 Ca 0.00 0.03 -0.14 0.00 0.00 0.00 0.00 44.72 44.61 1wj4 s GLY 32 CO 0.00 -0.23 1.13 0.14 0.00 0.00 0.00 173.10 174.14 1wj4 s VAL 33 N -3.59 5.36 -0.21 1.40 1.01 -1.26 -4.97 120.40 118.15 1wj4 s VAL 33 Ca 0.02 -2.57 0.02 0.00 0.00 0.00 0.00 61.98 59.44 1wj4 s VAL 33 Cb 0.01 -4.70 0.04 0.00 0.00 0.00 0.00 36.38 31.73 1wj4 s VAL 33 CO -0.10 -1.35 -0.15 0.54 0.00 0.00 0.00 175.10 174.04 1wj4 s VAL 34 N 0.75 1.98 -0.45 2.92 0.11 -1.26 -5.02 120.40 119.43 1wj4 s VAL 34 Ca 0.32 -1.16 0.06 0.00 -2.93 0.00 0.00 61.98 58.28 1wj4 s VAL 34 Cb -0.07 -1.94 0.22 0.00 -1.53 0.00 0.00 36.38 33.06 1wj4 s VAL 34 CO -0.06 0.28 0.64 -0.62 -3.33 0.00 0.00 175.10 172.01 1wj4 n GLU 35 N 4.58 0.60 0.00 1.54 1.02 -1.26 -5.07 120.64 122.05 1wj4 n GLU 35 Ca -0.17 -2.54 0.00 0.00 -0.02 0.00 0.00 57.16 54.43 1wj4 n GLU 35 Cb 0.47 -1.42 0.00 0.00 -0.02 0.00 0.00 31.44 30.46 1wj4 n GLU 35 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 1wj4 n GLY 36 N 2.03 0.92 3.93 0.62 0.00 -1.26 -4.94 105.19 106.50 1wj4 n GLY 36 Ca 0.18 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.85 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 -2.82 -3.41 -0.61 5.41 -1.26 -4.94 119.36 111.73 1wj4 n ILE 37 Ca 0.00 -0.29 -0.16 0.00 1.00 0.00 0.00 62.75 63.30 1wj4 n ILE 37 Cb 0.00 -2.46 -0.10 0.00 -0.71 0.00 0.00 39.64 36.36 1wj4 n ILE 37 CO 0.00 0.00 0.00 -0.62 0.00 0.00 0.00 176.55 175.93 1wj4 s ASP 38 N -3.26 1.34 0.29 4.38 2.15 -1.26 -5.13 116.67 115.18 1wj4 s ASP 38 Ca 0.24 -0.46 -0.25 0.00 0.43 0.00 0.00 52.55 52.51 1wj4 s ASP 38 Cb -0.13 0.59 -0.16 0.00 -0.30 0.00 0.00 42.92 42.91 1wj4 s ASP 38 CO 0.91 -0.36 0.35 0.55 -0.17 0.00 0.00 175.17 176.46 1wj4 n VAL 39 N 5.32 1.45 -3.39 1.11 3.14 -1.26 -4.96 118.33 119.73 1wj4 n VAL 39 Ca -0.03 -0.50 0.03 0.00 -2.96 0.00 0.00 64.34 60.88 1wj4 n VAL 39 Cb 0.48 -0.03 -0.05 0.00 -1.06 0.00 0.00 33.84 33.18 1wj4 n VAL 39 CO 0.00 0.00 0.00 0.21 -6.46 0.00 0.00 176.83 170.58 1wj4 s ASN 40 N -0.99 -0.00 0.18 6.55 3.84 -1.26 -5.15 114.94 118.11 1wj4 s ASN 40 Ca 0.62 0.00 0.00 0.00 0.21 0.00 0.00 52.86 53.69 1wj4 s ASN 40 Cb -0.80 1.00 0.00 0.00 -0.55 0.00 0.00 41.25 40.90 1wj4 s ASN 40 CO 0.59 -0.00 0.00 0.61 -2.79 0.00 0.00 177.10 175.51 1wj4 n GLY 41 N 3.77 0.71 3.68 1.21 0.00 -1.26 -4.34 105.19 108.96 1wj4 n GLY 41 Ca -0.11 -0.76 -0.42 0.00 0.00 0.00 0.00 46.02 44.72 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 4.31 0.75 1.61 0.04 -1.26 -5.02 135.00 135.44 1wj4 s PRO 42 Ca 0.00 1.69 -0.11 0.00 0.04 0.00 0.00 61.00 62.62 1wj4 s PRO 42 Cb 0.00 -3.62 0.04 0.00 0.04 0.00 0.00 34.50 30.96 1wj4 s PRO 42 CO 0.00 -0.53 1.08 0.21 0.04 0.00 0.00 177.00 177.80 1wj4 s LYS 43 N 2.57 2.51 -0.23 4.56 2.20 -1.26 -4.57 119.74 125.53 1wj4 s LYS 43 Ca 0.56 0.86 -0.11 0.00 -0.36 0.00 0.00 55.97 56.92 1wj4 s LYS 43 Cb -0.24 -1.95 -0.05 0.00 -1.51 0.00 0.00 37.83 34.08 1wj4 s LYS 43 CO 0.20 -1.38 0.18 0.00 -0.36 0.00 0.00 175.35 174.00 1wj4 s ALA 44 N -3.06 3.61 -0.24 3.13 0.00 0.55 -4.90 121.76 120.84 1wj4 s ALA 44 Ca 0.59 -0.84 -0.12 0.00 0.00 0.00 0.00 51.96 51.60 1wj4 s ALA 44 Cb -0.15 -2.33 -0.05 0.00 0.00 0.00 0.00 23.12 20.59 1wj4 s ALA 44 CO 0.55 -0.16 0.24 -0.65 0.00 0.00 0.00 175.76 175.74 1wj4 s GLN 45 N 1.00 4.06 0.15 0.00 -0.21 -0.85 0.89 119.66 124.70 1wj4 s GLN 45 Ca 0.09 -0.14 0.11 0.00 0.02 0.00 0.00 55.36 55.43 1wj4 s GLN 45 Cb -0.13 -3.58 -0.04 0.00 1.00 0.00 0.00 33.01 30.26 1wj4 s GLN 45 CO 0.04 -0.05 -0.24 -0.51 -2.12 0.00 0.00 175.29 172.40 1wj4 s LEU 46 N 1.39 2.43 -0.39 2.90 2.01 0.35 -1.68 118.68 125.70 1wj4 s LEU 46 Ca 0.11 -0.76 0.04 0.00 0.01 0.00 0.00 54.13 53.53 1wj4 s LEU 46 Cb -0.15 -1.26 0.11 0.00 0.01 0.00 0.00 46.19 44.90 1wj4 s LEU 46 CO 0.07 0.16 0.11 -0.32 1.01 0.00 0.00 176.35 177.38 1wj4 s MET 47 N -2.30 1.61 -0.06 1.70 -2.45 -0.95 0.40 119.30 117.26 1wj4 s MET 47 Ca 0.17 -2.08 -0.30 0.00 -1.25 0.00 0.00 55.69 52.24 1wj4 s MET 47 Cb -0.09 -3.23 -0.05 0.00 1.25 0.00 0.00 34.83 32.71 1wj4 s MET 47 CO 0.08 -0.99 1.52 -0.51 1.05 0.00 0.00 175.02 176.18 1wj4 s LEU 48 N 0.58 4.30 -0.39 4.11 2.01 0.47 -0.54 118.68 129.22 1wj4 s LEU 48 Ca 0.13 2.12 0.02 0.00 0.01 0.00 0.00 54.13 56.40 1wj4 s LEU 48 Cb -0.21 -3.54 0.11 0.00 0.01 0.00 0.00 46.19 42.56 1wj4 s LEU 48 CO -0.06 -0.85 0.13 -0.13 1.01 0.00 0.00 176.35 176.45 1wj4 s ARG 49 N 3.50 1.71 0.61 1.70 1.81 0.25 0.97 118.95 129.50 1wj4 s ARG 49 Ca 0.68 -1.95 -0.16 0.00 -1.72 0.00 0.00 55.73 52.58 1wj4 s ARG 49 Cb -0.31 -3.35 -0.03 0.00 -0.45 0.00 0.00 34.95 30.82 1wj4 s ARG 49 CO 0.26 -1.00 1.07 0.71 -0.68 0.00 0.00 175.30 175.66 1wj4 s TYR 50 N 0.84 2.87 -1.32 -0.53 2.02 0.78 -0.01 117.35 122.00 1wj4 s TYR 50 Ca 0.11 1.52 0.22 0.00 -0.37 0.00 0.00 57.07 58.56 1wj4 s TYR 50 Cb -0.21 -3.06 1.09 0.00 -0.40 0.00 0.00 41.96 39.38 1wj4 s TYR 50 CO -0.06 -1.30 1.73 -0.35 -1.57 0.00 0.00 175.55 174.00 1wj4 n PRO 51 N -2.14 0.24 -0.00 -1.71 -0.04 -1.21 -2.41 135.00 127.72 1wj4 n PRO 51 Ca 0.09 0.09 0.10 0.00 -0.04 0.00 0.00 63.50 63.74 1wj4 n PRO 51 Cb 0.53 -1.50 0.59 0.00 -0.04 0.00 0.00 33.50 33.07 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 -1.34 0.12 0.00 3.54 8.00 -1.26 -4.83 116.55 120.77 1wj4 n ASP 52 Ca 0.09 -1.39 0.00 0.00 0.71 0.00 0.00 54.79 54.21 1wj4 n ASP 52 Cb 0.20 -0.01 0.00 0.00 -0.02 0.00 0.00 41.12 41.29 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 0.84 2.28 3.89 0.44 0.00 -1.01 -5.02 105.19 106.60 1wj4 n GLY 53 Ca 0.15 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.88 1wj4 n GLY 53 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1wj4 s LYS 54 N -0.49 3.72 0.27 1.61 1.02 -1.25 -4.91 119.74 119.71 1wj4 s LYS 54 Ca 0.00 0.29 0.04 0.00 0.02 0.00 0.00 55.97 56.32 1wj4 s LYS 54 Cb 0.00 -2.49 -0.02 0.00 -0.52 0.00 0.00 37.83 34.80 1wj4 s LYS 54 CO 0.00 0.06 0.16 2.89 -0.92 0.00 0.00 175.35 177.54 1wj4 n ARG 55 N -1.16 0.47 -3.62 1.68 1.85 -1.26 -0.15 116.66 114.47 1wj4 n ARG 55 Ca 0.01 -2.46 0.01 0.00 -1.00 0.00 0.00 57.85 54.41 1wj4 n ARG 55 Cb 0.54 1.69 -0.06 0.00 -1.05 0.00 0.00 32.46 33.58 1wj4 n ARG 55 CO 0.00 0.00 0.00 -2.00 -0.01 0.00 0.00 177.63 175.62 1wj4 s GLU 56 N -3.05 0.15 -0.06 2.89 2.12 0.27 -4.92 118.70 116.10 1wj4 s GLU 56 Ca 0.22 0.26 -0.11 0.00 0.36 0.00 0.00 54.97 55.70 1wj4 s GLU 56 Cb 0.01 0.04 -0.05 0.00 0.26 0.00 0.00 34.13 34.39 1wj4 s GLU 56 CO 0.16 -0.03 0.28 -1.14 -0.54 0.00 0.00 175.26 173.98 1wj4 s GLN 57 N 1.22 3.71 0.29 4.30 0.74 -1.26 0.18 119.66 128.83 1wj4 s GLN 57 Ca -0.08 0.15 0.02 0.00 0.05 0.00 0.00 55.36 55.50 1wj4 s GLN 57 Cb -0.03 -3.21 -0.04 0.00 1.10 0.00 0.00 33.01 30.83 1wj4 s GLN 57 CO -0.12 0.71 0.14 0.96 -0.55 0.00 0.00 175.29 176.44 1wj4 s ILE 58 N -0.99 0.37 -0.10 -2.34 -4.36 0.16 -4.94 121.20 109.00 1wj4 s ILE 58 Ca 0.19 -2.00 -0.02 0.00 -0.26 0.00 0.00 60.65 58.56 1wj4 s ILE 58 Cb -0.14 -2.54 0.04 0.00 1.25 0.00 0.00 42.46 41.06 1wj4 s ILE 58 CO 0.09 0.00 0.03 -0.89 0.24 0.00 0.00 174.94 174.41 1wj4 s THR 59 N -3.68 0.26 0.18 8.37 2.01 -1.26 -0.49 115.64 121.03 1wj4 s THR 59 Ca 0.36 0.01 0.09 0.00 0.31 0.00 0.00 61.69 62.46 1wj4 s THR 59 Cb 0.06 -0.57 -0.04 0.00 0.01 0.00 0.00 72.50 71.96 1wj4 s THR 59 CO 0.16 0.08 -0.18 -0.76 -0.69 0.00 0.00 174.62 173.24 1wj4 s LEU 60 N 2.01 2.48 0.16 4.42 1.43 0.26 -4.89 118.68 124.55 1wj4 s LEU 60 Ca 0.03 -0.91 -0.30 0.00 -1.03 0.00 0.00 54.13 51.92 1wj4 s LEU 60 Cb -0.14 -0.82 -0.07 0.00 0.03 0.00 0.00 46.19 45.19 1wj4 s LEU 60 CO -0.06 -0.06 1.12 -2.16 0.23 0.00 0.00 176.35 175.43 1wj4 s PRO 61 N -3.04 4.56 0.23 1.29 0.04 -1.26 0.21 135.00 137.03 1wj4 s PRO 61 Ca 0.18 1.74 -0.13 0.00 0.04 0.00 0.00 61.00 62.84 1wj4 s PRO 61 Cb -0.05 -3.28 0.29 0.00 0.04 0.00 0.00 34.50 31.50 1wj4 s PRO 61 CO 0.07 0.01 1.59 0.93 0.04 0.00 0.00 177.00 179.65 1wj4 h GLU 62 N 5.32 -0.03 -0.56 4.56 5.08 -1.90 1.60 114.58 128.65 1wj4 h GLU 62 Ca -0.44 0.00 0.16 0.00 -1.00 0.00 0.00 59.36 58.09 1wj4 h GLU 62 Cb 1.21 0.01 -0.02 0.00 0.50 0.00 0.00 28.75 30.45 1wj4 h GLU 62 CO 0.74 -0.02 0.42 -0.56 -1.00 0.00 0.00 179.01 178.59 1wj4 h GLN 63 N -0.03 0.00 -6.22 2.33 3.07 -1.93 1.54 115.11 113.87 1wj4 h GLN 63 Ca 0.35 0.00 -0.67 0.00 0.09 0.00 0.00 58.65 58.42 1wj4 h GLN 63 Cb 0.57 0.00 0.08 0.00 0.08 0.00 0.00 27.48 28.22 1wj4 h GLN 63 CO -0.80 0.00 0.05 0.00 0.09 0.00 0.00 178.83 178.17 1wj4 n ALA 64 N -2.62 -1.64 -1.76 0.06 0.00 0.55 -4.41 120.51 110.68 1wj4 n ALA 64 Ca 0.11 0.47 -0.40 0.00 0.00 0.00 0.00 53.44 53.62 1wj4 n ALA 64 Cb 0.65 -1.89 -0.04 0.00 0.00 0.00 0.00 19.45 18.17 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 -0.58 4.52 0.42 0.00 1.02 -1.26 0.19 119.74 124.06 1wj4 s LYS 65 Ca 0.73 1.86 0.25 0.00 0.02 0.00 0.00 55.97 58.82 1wj4 s LYS 65 Cb -0.92 -3.09 1.28 0.00 -0.52 0.00 0.00 37.83 34.58 1wj4 s LYS 65 CO 0.55 0.09 1.69 1.25 -0.92 0.00 0.00 175.35 178.00 1wj4 h LEU 66 N 3.57 0.33 -1.09 3.17 5.85 -1.64 1.81 115.31 127.31 1wj4 h LEU 66 Ca -0.47 0.11 0.08 0.00 0.84 0.00 0.00 57.88 58.44 1wj4 h LEU 66 Cb 1.22 0.08 -0.07 0.00 0.37 0.00 0.00 40.66 42.26 1wj4 h LEU 66 CO 0.66 -0.07 0.61 0.25 -0.34 0.00 0.00 178.44 179.55 1wj4 h LEU 67 N 0.22 0.93 -0.69 2.25 6.46 -1.89 -1.01 115.31 121.58 1wj4 h LEU 67 Ca 0.72 0.02 0.15 0.00 -0.12 0.00 0.00 57.88 58.64 1wj4 h LEU 67 Cb 2.09 -0.18 -0.12 0.00 -0.73 0.00 0.00 40.66 41.72 1wj4 h LEU 67 CO -0.37 0.57 -0.03 0.00 -0.62 0.00 0.00 178.44 177.99 1wj4 h ALA 68 N 1.51 0.65 -0.04 1.25 0.00 0.25 1.82 119.26 124.70 1wj4 h ALA 68 Ca 0.42 0.23 -0.08 0.00 0.00 0.00 0.00 54.91 55.48 1wj4 h ALA 68 Cb 0.27 0.41 -0.01 0.00 0.00 0.00 0.00 17.79 18.46 1wj4 h ALA 68 CO -0.18 -0.41 -0.36 1.25 0.00 0.00 0.00 179.25 179.55 1wj4 h LEU 69 N 0.09 0.09 -0.14 0.00 5.85 -1.23 -1.46 115.31 118.50 1wj4 h LEU 69 Ca 0.36 -0.03 -0.08 0.00 0.84 0.00 0.00 57.88 58.98 1wj4 h LEU 69 Cb 0.61 -0.02 -0.00 0.00 0.37 0.00 0.00 40.66 41.61 1wj4 h LEU 69 CO -0.62 0.45 -0.21 0.58 -0.34 0.00 0.00 178.44 178.29 1wj4 h VAL 70 N 0.07 1.36 -0.07 1.05 2.07 0.18 -2.75 116.25 118.16 1wj4 h VAL 70 Ca 0.01 -1.44 -0.01 0.00 0.82 0.00 0.00 66.70 66.08 1wj4 h VAL 70 Cb 0.68 1.97 -0.01 0.00 -1.52 0.00 0.00 31.29 32.41 1wj4 h VAL 70 CO 0.05 0.42 -0.02 0.11 0.02 0.00 0.00 177.57 178.16 1wj4 h LYS 71 N -0.00 0.10 0.03 1.57 1.57 0.25 0.28 116.57 120.37 1wj4 h LYS 71 Ca 0.01 -0.01 -0.00 0.00 -1.87 0.00 0.00 60.65 58.78 1wj4 h LYS 71 Cb 0.78 -0.02 0.00 0.00 0.08 0.00 0.00 32.23 33.07 1wj4 h LYS 71 CO 0.05 0.13 -0.01 1.25 -0.57 0.00 0.00 179.45 180.30 1wj4 h HIS 72 N 0.10 -0.03 -0.94 -1.35 2.76 -1.06 -2.68 115.15 111.95 1wj4 h HIS 72 Ca 0.03 -0.00 0.19 0.00 -2.20 0.00 0.00 60.37 58.39 1wj4 h HIS 72 Cb 0.11 0.01 -0.11 0.00 1.55 0.00 0.00 27.41 28.97 1wj4 h HIS 72 CO 0.00 -0.02 0.53 -0.39 -1.30 0.00 0.00 177.93 176.75 1wj4 h VAL 73 N -0.04 0.65 -0.88 5.26 -1.51 -1.40 0.65 116.25 119.00 1wj4 h VAL 73 Ca -0.00 -0.22 0.20 0.00 -1.23 0.00 0.00 66.70 65.45 1wj4 h VAL 73 Cb 0.03 -0.05 -0.16 0.00 -2.13 0.00 0.00 31.29 28.98 1wj4 h VAL 73 CO 0.01 0.12 -0.07 -0.61 -1.23 0.00 0.00 177.57 175.78 1wj4 h GLN 74 N 0.64 0.04 -0.11 5.19 4.15 -0.83 1.26 115.11 125.45 1wj4 h GLN 74 Ca 0.55 -0.00 -0.13 0.00 0.77 0.00 0.00 58.65 59.84 1wj4 h GLN 74 Cb 0.90 -0.01 -0.01 0.00 0.21 0.00 0.00 27.48 28.57 1wj4 h GLN 74 CO -0.41 0.02 -0.50 0.77 -1.93 0.00 0.00 178.83 176.79 1wj4 h SER 75 N 0.04 0.32 -0.06 -0.69 0.02 -0.54 -2.37 113.55 110.26 1wj4 h SER 75 Ca 0.47 -0.16 0.02 0.00 -0.84 0.00 0.00 61.79 61.29 1wj4 h SER 75 Cb 0.85 -0.09 -0.00 0.00 0.14 0.00 0.00 62.40 63.30 1wj4 h SER 75 CO -0.84 0.77 0.17 0.11 -1.14 0.00 0.00 176.83 175.90 1wj4 h LYS 76 N 0.23 0.00 0.00 3.45 1.79 0.21 -3.44 116.57 118.82 1wj4 h LYS 76 Ca 0.01 0.00 0.00 0.00 -2.18 0.00 0.00 60.65 58.48 1wj4 h LYS 76 Cb 0.96 0.00 0.00 0.00 -1.58 0.00 0.00 32.23 31.61 1wj4 h LYS 76 CO 0.08 0.00 0.00 0.41 -1.08 0.00 0.00 179.45 178.86 1wj4 n GLY 77 N -1.24 0.83 3.17 3.86 0.00 -0.58 -5.09 105.19 106.14 1wj4 n GLY 77 Ca -0.01 -0.02 0.02 0.00 0.00 0.00 0.00 46.02 46.01 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 -0.33 -1.69 0.09 1.61 1.51 -1.06 -5.01 117.35 112.46 1wj4 s TYR 78 Ca 0.00 0.54 -0.30 0.00 -1.01 0.00 0.00 57.07 56.30 1wj4 s TYR 78 Cb 0.00 0.30 -0.06 0.00 -0.11 0.00 0.00 41.96 42.09 1wj4 s TYR 78 CO 0.00 -1.08 1.15 -1.25 -1.11 0.00 0.00 175.55 173.26 1wj4 s PRO 79 N 2.23 4.49 0.12 -1.71 0.04 -1.26 -3.30 135.00 135.61 1wj4 s PRO 79 Ca 0.14 1.73 -0.25 0.00 0.04 0.00 0.00 61.00 62.66 1wj4 s PRO 79 Cb -0.06 -3.33 -0.06 0.00 0.04 0.00 0.00 34.50 31.09 1wj4 s PRO 79 CO -0.14 -0.14 1.43 -0.97 0.04 0.00 0.00 177.00 177.22 1wj4 h ASN 80 N 6.27 -1.70 -1.31 6.66 -1.24 -1.89 1.50 115.58 123.87 1wj4 h ASN 80 Ca -0.42 0.25 0.42 0.00 0.71 0.00 0.00 56.30 57.26 1wj4 h ASN 80 Cb 1.21 0.74 -0.10 0.00 0.73 0.00 0.00 38.32 40.91 1wj4 h ASN 80 CO 0.78 -0.21 0.88 -1.84 -1.29 0.00 0.00 177.43 175.75 1wj4 n GLU 81 N -4.81 -0.02 0.00 6.67 0.28 -1.26 -2.57 120.64 118.92 1wj4 n GLU 81 Ca 0.01 0.98 0.00 0.00 -0.16 0.00 0.00 57.16 57.99 1wj4 n GLU 81 Cb 0.22 -2.04 0.00 0.00 1.43 0.00 0.00 31.44 31.05 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 -4.07 0.00 -3.36 3.44 1.74 0.47 -4.86 116.66 110.02 1wj4 n ARG 82 Ca 0.34 0.00 -0.37 0.00 -0.77 0.00 0.00 57.85 57.06 1wj4 n ARG 82 Cb 1.42 -0.13 -0.06 0.00 -1.02 0.00 0.00 32.46 32.67 1wj4 n ARG 82 CO 0.00 0.00 0.00 -0.06 -1.52 0.00 0.00 177.63 176.05 1wj4 s PHE 83 N 0.00 3.70 0.18 -1.55 0.40 0.11 -0.25 117.98 120.56 1wj4 s PHE 83 Ca 0.00 1.12 0.07 0.00 -0.60 0.00 0.00 56.93 57.52 1wj4 s PHE 83 Cb 0.00 -2.39 -0.04 0.00 0.51 0.00 0.00 43.02 41.10 1wj4 s PHE 83 CO 0.00 0.53 0.03 -1.83 0.70 0.00 0.00 175.22 174.64 1wj4 s GLU 84 N -1.51 2.50 -0.18 0.44 -1.05 0.56 -3.39 118.70 116.06 1wj4 s GLU 84 Ca 0.32 -1.08 -0.12 0.00 -0.15 0.00 0.00 54.97 53.95 1wj4 s GLU 84 Cb -0.17 -2.41 -0.05 0.00 -0.44 0.00 0.00 34.13 31.07 1wj4 s GLU 84 CO 0.18 0.46 0.21 -0.51 0.95 0.00 0.00 175.26 176.55 1wj4 s LEU 85 N -3.02 4.22 0.45 1.83 1.43 -1.26 0.36 118.68 122.69 1wj4 s LEU 85 Ca 0.28 0.36 0.05 0.00 -1.03 0.00 0.00 54.13 53.79 1wj4 s LEU 85 Cb -0.09 -2.23 -0.05 0.00 0.03 0.00 0.00 46.19 43.84 1wj4 s LEU 85 CO 0.20 0.13 0.03 -0.76 0.23 0.00 0.00 176.35 176.17 1wj4 s LEU 86 N 0.49 2.68 0.53 1.79 1.43 0.52 -2.38 118.68 123.73 1wj4 s LEU 86 Ca 0.12 -1.45 0.01 0.00 -1.03 0.00 0.00 54.13 51.78 1wj4 s LEU 86 Cb -0.12 -0.88 -0.00 0.00 0.03 0.00 0.00 46.19 45.22 1wj4 s LEU 86 CO 0.01 -0.62 0.03 0.42 0.23 0.00 0.00 176.35 176.43 1wj4 s THR 87 N -2.77 1.09 0.97 5.49 -4.23 -0.98 0.86 115.64 116.07 1wj4 s THR 87 Ca 0.25 -1.96 -0.15 0.00 -1.18 0.00 0.00 61.69 58.64 1wj4 s THR 87 Cb 0.06 -2.05 0.18 0.00 1.34 0.00 0.00 72.50 72.03 1wj4 s THR 87 CO 0.13 0.00 1.22 0.21 -0.54 0.00 0.00 174.62 175.64 1wj4 s ASN 88 N -3.93 3.05 0.10 3.99 3.84 -1.16 -4.36 114.94 116.47 1wj4 s ASN 88 Ca 0.04 0.58 -0.18 0.00 0.21 0.00 0.00 52.86 53.51 1wj4 s ASN 88 Cb 0.00 -0.85 -0.10 0.00 -0.55 0.00 0.00 41.25 39.75 1wj4 s ASN 88 CO 0.02 -2.80 0.36 2.22 -2.79 0.00 0.00 177.10 174.11 1wj4 n PHE 89 N -3.87 -0.19 -0.03 0.43 1.16 -1.26 -3.08 117.46 110.62 1wj4 n PHE 89 Ca 0.12 0.59 -0.14 0.00 -1.87 0.00 0.00 57.45 56.14 1wj4 n PHE 89 Cb 0.60 -1.18 -0.11 0.00 -1.61 0.00 0.00 39.48 37.18 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 0.77 0.10 0.00 3.97 0.13 -2.05 -3.48 132.00 131.44 1wj4 h PRO 90 Ca -0.19 -0.10 0.00 0.00 -0.87 0.00 0.00 66.00 64.85 1wj4 h PRO 90 Cb 0.86 0.03 0.00 0.00 0.13 0.00 0.00 31.00 32.01 1wj4 h PRO 90 CO 0.35 0.83 0.00 0.54 -0.23 0.00 0.00 178.00 179.48 1wj4 n ARG 91 N -4.62 0.00 -4.48 0.86 5.12 -1.18 -5.06 116.66 107.31 1wj4 n ARG 91 Ca -0.09 0.00 -0.33 0.00 -1.93 0.00 0.00 57.85 55.49 1wj4 n ARG 91 Cb 0.43 0.00 -0.13 0.00 -1.16 0.00 0.00 32.46 31.61 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 3.62 -1.00 5.56 0.52 -1.26 -4.95 118.95 121.43 1wj4 s ARG 92 Ca 0.00 -0.55 -0.17 0.00 -0.52 0.00 0.00 55.73 54.49 1wj4 s ARG 92 Cb 0.00 -2.86 0.15 0.00 0.52 0.00 0.00 34.95 32.76 1wj4 s ARG 92 CO 0.00 0.24 1.19 0.15 0.02 0.00 0.00 175.30 176.90 1wj4 s LYS 93 N 0.35 3.73 -0.84 3.54 1.02 -1.26 -2.32 119.74 123.96 1wj4 s LYS 93 Ca -0.06 -2.01 -0.22 0.00 0.02 0.00 0.00 55.97 53.70 1wj4 s LYS 93 Cb -0.15 -4.94 -0.21 0.00 -0.52 0.00 0.00 37.83 32.02 1wj4 s LYS 93 CO 0.04 -1.75 2.41 1.28 -0.92 0.00 0.00 175.35 176.40 1wj4 n LEU 94 N 6.20 0.56 0.00 3.17 4.77 -1.00 -3.00 117.00 127.69 1wj4 n LEU 94 Ca 0.27 -0.59 0.00 0.00 -0.03 0.00 0.00 56.01 55.66 1wj4 n LEU 94 Cb 0.47 -1.13 0.00 0.00 -2.33 0.00 0.00 43.42 40.44 1wj4 n LEU 94 CO 0.53 -1.58 0.00 -0.24 -1.33 0.00 0.00 177.39 174.76 1wj4 n SER 95 N 12.18 0.00 -0.13 -1.43 2.88 -1.26 -4.62 113.62 121.23 1wj4 n SER 95 Ca 0.56 0.00 -0.04 0.00 -1.33 0.00 0.00 58.87 58.06 1wj4 n SER 95 Cb 0.27 0.00 -0.03 0.00 -0.75 0.00 0.00 64.21 63.70 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 0.00 -0.14 0.00 0.66 1.44 -1.16 -2.84 115.22 113.18 1wj4 n HIS 96 Ca 0.00 0.40 0.00 0.00 -2.01 0.00 0.00 57.72 56.11 1wj4 n HIS 96 Cb 0.00 -0.51 0.00 0.00 0.12 0.00 0.00 29.99 29.60 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 -3.70 0.00 0.00 2.39 -0.00 -1.26 -4.96 117.00 109.47 1wj4 n LEU 97 Ca 0.01 0.02 0.00 0.00 -0.00 0.00 0.00 56.01 56.03 1wj4 n LEU 97 Cb 0.08 0.00 0.00 0.00 -0.00 0.00 0.00 43.42 43.50 1wj4 n LEU 97 CO -0.05 0.00 0.00 0.47 -0.00 0.00 0.00 177.39 177.81 1wj4 n ASP 98 N -0.04 0.00 -0.54 1.45 9.92 -1.13 -5.02 116.55 121.20 1wj4 n ASP 98 Ca 0.00 0.00 0.05 0.00 -0.53 0.00 0.00 54.79 54.31 1wj4 n ASP 98 Cb 0.00 0.00 0.10 0.00 -0.64 0.00 0.00 41.12 40.58 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 -0.21 0.24 0.62 1.24 4.01 -1.26 -4.34 117.16 117.47 1wj4 n TYR 99 Ca 0.00 -0.26 0.11 0.00 -0.16 0.00 0.00 57.90 57.59 1wj4 n TYR 99 Cb 0.00 -0.01 0.01 0.00 -0.31 0.00 0.00 39.34 39.02 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 0.56 0.62 -3.27 7.72 2.03 -1.26 -3.47 116.55 119.47 1wj4 n ASP 100 Ca 0.09 -0.30 0.00 0.00 0.52 0.00 0.00 54.79 55.10 1wj4 n ASP 100 Cb 0.35 0.85 0.00 0.00 -0.72 0.00 0.00 41.12 41.61 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 -1.89 0.00 -4.41 5.18 -5.35 -1.26 -4.88 119.36 106.74 1wj4 n ILE 101 Ca 0.02 0.00 -0.23 0.00 -0.27 0.00 0.00 62.75 62.27 1wj4 n ILE 101 Cb 0.42 -1.00 -0.10 0.00 -1.74 0.00 0.00 39.64 37.22 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 -0.23 2.18 0.62 7.28 -4.23 -1.26 -3.61 115.64 116.39 1wj4 s THR 102 Ca 0.00 -2.24 0.24 0.00 -1.18 0.00 0.00 61.69 58.51 1wj4 s THR 102 Cb 0.00 -2.15 0.32 0.00 1.34 0.00 0.00 72.50 72.01 1wj4 s THR 102 CO 0.00 -0.40 1.56 -0.07 -0.54 0.00 0.00 174.62 175.16 1wj4 h LEU 103 N 2.61 0.00 0.07 4.79 4.07 0.65 0.36 115.31 127.87 1wj4 h LEU 103 Ca -0.41 0.00 -0.00 0.00 0.08 0.00 0.00 57.88 57.55 1wj4 h LEU 103 Cb 1.24 0.00 0.00 0.00 1.08 0.00 0.00 40.66 42.98 1wj4 h LEU 103 CO 0.58 0.00 -0.04 -0.61 -1.08 0.00 0.00 178.44 177.29 1wj4 h GLN 104 N 0.00 -0.10 -0.53 1.13 4.15 -1.83 0.04 115.11 117.98 1wj4 h GLN 104 Ca 0.25 0.01 0.11 0.00 0.77 0.00 0.00 58.65 59.79 1wj4 h GLN 104 Cb 1.86 0.02 -0.11 0.00 0.21 0.00 0.00 27.48 29.47 1wj4 h GLN 104 CO -0.00 0.31 -0.21 0.93 -1.93 0.00 0.00 178.83 177.93 1wj4 h GLU 105 N -0.97 -0.08 0.00 1.69 5.08 -0.65 1.49 114.58 121.13 1wj4 h GLU 105 Ca -0.01 0.01 0.00 0.00 -1.00 0.00 0.00 59.36 58.36 1wj4 h GLU 105 Cb 0.45 0.02 0.00 0.00 0.50 0.00 0.00 28.75 29.72 1wj4 h GLU 105 CO 0.02 -0.05 0.24 0.00 -1.00 0.00 0.00 179.01 178.22 1wj4 h ALA 106 N 1.31 1.24 0.00 3.43 0.00 -1.40 -3.44 119.26 120.39 1wj4 h ALA 106 Ca 0.25 0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.16 1wj4 h ALA 106 Cb 0.47 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.26 1wj4 h ALA 106 CO -0.59 -0.24 0.00 0.41 0.00 0.00 0.00 179.25 178.84 1wj4 n GLY 107 N -1.20 0.47 0.10 0.00 0.00 0.51 -4.94 105.19 100.13 1wj4 n GLY 107 Ca -0.02 -0.90 -0.01 0.00 0.00 0.00 0.00 46.02 45.09 1wj4 n GLY 107 CO 0.00 0.00 0.00 1.41 0.00 0.00 0.00 173.32 174.73 1wj4 h LEU 108 N 0.00 0.00-10.07 0.99 3.38 -1.12 -3.46 115.31 105.02 1wj4 h LEU 108 Ca 0.00 0.00 -0.47 0.00 0.09 0.00 0.00 57.88 57.50 1wj4 h LEU 108 Cb 0.54 0.00 0.03 0.00 0.09 0.00 0.00 40.66 41.31 1wj4 h LEU 108 CO 0.00 0.67 0.39 0.00 0.09 0.00 0.00 178.44 179.59 1wj4 h PRO 110 N 1.55 0.38 -3.55 0.00 0.13 -1.93 -3.47 132.00 125.12 1wj4 h PRO 110 Ca -0.50 -0.37 -0.26 0.00 -0.87 0.00 0.00 66.00 64.00 1wj4 h PRO 110 Cb 1.22 0.10 -0.31 0.00 0.13 0.00 0.00 31.00 32.13 1wj4 h PRO 110 CO 0.59 1.03 -0.70 1.14 -0.23 0.00 0.00 178.00 179.84 1wj4 s GLN 111 N -3.40 0.00 0.01 0.86 -2.07 -0.80 -2.02 119.66 112.25 1wj4 s GLN 111 Ca -0.05 0.15 -0.02 0.00 -1.82 0.00 0.00 55.36 53.62 1wj4 s GLN 111 Cb 0.10 -0.14 -0.01 0.00 -1.09 0.00 0.00 33.01 31.87 1wj4 s GLN 111 CO 0.85 -0.10 0.03 -2.00 -1.32 0.00 0.00 175.29 172.75 1wj4 s GLU 112 N 0.67 0.31 -0.41 9.60 2.56 -0.47 -4.96 118.70 126.01 1wj4 s GLU 112 Ca -0.05 -0.43 -0.23 0.00 0.00 0.00 0.00 54.97 54.25 1wj4 s GLU 112 Cb -0.08 0.12 0.02 0.00 2.00 0.00 0.00 34.13 36.19 1wj4 s GLU 112 CO -0.02 -0.06 0.79 0.99 -0.56 0.00 0.00 175.26 176.40 1wj4 s THR 113 N -1.17 4.68 -0.18 -1.70 2.01 -1.26 -2.24 115.64 115.78 1wj4 s THR 113 Ca -0.13 0.65 -0.21 0.00 0.31 0.00 0.00 61.69 62.31 1wj4 s THR 113 Cb -0.08 -4.27 -0.03 0.00 0.01 0.00 0.00 72.50 68.14 1wj4 s THR 113 CO -0.00 -0.59 0.64 -0.69 -0.69 0.00 0.00 174.62 173.29 1wj4 s VAL 114 N 3.22 5.02 -0.14 3.82 1.01 0.30 -2.99 120.40 130.63 1wj4 s VAL 114 Ca 0.31 1.23 -0.01 0.00 0.00 0.00 0.00 61.98 63.50 1wj4 s VAL 114 Cb -0.12 -3.96 -0.02 0.00 0.00 0.00 0.00 36.38 32.28 1wj4 s VAL 114 CO 0.20 0.12 -0.10 -0.36 0.00 0.00 0.00 175.10 174.97 1wj4 s PHE 115 N 1.80 2.89 -0.50 5.22 0.40 0.25 0.84 117.98 128.88 1wj4 s PHE 115 Ca 0.30 -0.50 -0.19 0.00 -0.60 0.00 0.00 56.93 55.94 1wj4 s PHE 115 Cb -0.16 -1.88 0.06 0.00 0.51 0.00 0.00 43.02 41.55 1wj4 s PHE 115 CO 0.11 -0.13 0.63 0.08 0.70 0.00 0.00 175.22 176.61 1wj4 s VAL 116 N 0.31 4.87 0.11 -0.44 1.01 0.98 0.19 120.40 127.43 1wj4 s VAL 116 Ca -0.08 -0.45 0.09 0.00 0.00 0.00 0.00 61.98 61.54 1wj4 s VAL 116 Cb -0.15 -4.29 -0.04 0.00 0.00 0.00 0.00 36.38 31.90 1wj4 s VAL 116 CO 0.05 -0.79 -0.19 -1.58 0.00 0.00 0.00 175.10 172.58 1wj4 s GLN 117 N 2.65 1.79 -0.14 2.72 0.74 0.16 -3.34 119.66 124.24 1wj4 s GLN 117 Ca 0.16 -1.17 -0.29 0.00 0.05 0.00 0.00 55.36 54.11 1wj4 s GLN 117 Cb -0.19 -2.10 -0.05 0.00 1.10 0.00 0.00 33.01 31.77 1wj4 s GLN 117 CO 0.12 0.49 1.75 -1.21 -0.55 0.00 0.00 175.29 175.88 1wj4 s GLU 118 N -2.03 3.88 0.22 1.67 2.02 -1.26 0.21 118.70 123.41 1wj4 s GLU 118 Ca 0.17 1.99 -0.30 0.00 0.02 0.00 0.00 54.97 56.85 1wj4 s GLU 118 Cb -0.10 -4.08 -0.09 0.00 0.10 0.00 0.00 34.13 29.96 1wj4 s GLU 118 CO 0.09 -1.21 1.34 0.45 0.02 0.00 0.00 175.26 175.95 1wj4 s SER 119 N 4.47 6.83 0.00 -0.19 0.15 0.66 -4.77 113.70 120.84 1wj4 s SER 119 Ca 0.78 2.49 0.00 0.00 0.70 0.00 0.00 55.95 59.92 1wj4 s SER 119 Cb -0.31 -2.62 0.00 0.00 -1.71 0.00 0.00 66.02 61.39 1wj4 s SER 119 CO 0.32 -0.57 0.00 0.61 1.20 0.00 0.00 173.24 174.80 1wj4 n GLY 120 N 2.22 1.30 3.57 9.45 0.00 -1.26 -4.77 105.19 115.70 1wj4 n GLY 120 Ca 0.06 -1.82 -0.35 0.00 0.00 0.00 0.00 46.02 43.90 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 -2.92 3.20 0.25 1.61 0.04 -1.26 -4.63 135.00 131.29 1wj4 s PRO 121 Ca 0.00 -1.33 0.00 0.00 0.04 0.00 0.00 61.00 59.71 1wj4 s PRO 121 Cb 0.00 -5.34 0.00 0.00 0.04 0.00 0.00 34.50 29.20 1wj4 s PRO 121 CO 0.00 -3.01 0.00 0.45 0.04 0.00 0.00 177.00 174.48 1wj4 n SER 122 N 11.36 -8.55 -4.21 6.66 2.88 -1.26 -5.07 113.62 115.43 1wj4 n SER 122 Ca 0.44 1.25 -0.12 0.00 -1.33 0.00 0.00 58.87 59.11 1wj4 n SER 122 Cb 0.47 -4.67 -0.10 0.00 -0.75 0.00 0.00 64.21 59.16 1wj4 n SER 122 CO 0.00 0.00 0.00 -0.94 -1.23 0.00 0.00 175.04 172.87 1wj4 s SER 123 N -0.99 0.76 0.00 -3.46 1.04 -1.26 -5.14 113.70 104.65 1wj4 s SER 123 Ca 0.00 -1.22 0.00 0.00 0.48 0.00 0.00 55.95 55.21 1wj4 s SER 123 Cb 0.00 0.21 0.00 0.00 0.10 0.00 0.00 66.02 66.33 1wj4 s SER 123 CO 0.00 -0.67 0.00 0.61 0.98 0.00 0.00 173.24 174.16