#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1wg3 n SER 3 N 0.00 0.09 -2.76 0.00 2.88 -1.26 -3.15 113.62 109.41 1wg3 n SER 3 Ca 0.00 -0.91 -0.09 0.00 -1.33 0.00 0.00 58.87 56.55 1wg3 n SER 3 Cb 0.00 -0.04 0.06 0.00 -0.75 0.00 0.00 64.21 63.47 1wg3 n SER 3 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 1wg3 n GLY 4 N 0.01 0.28 3.50 0.46 0.00 -1.26 -5.06 105.19 103.13 1wg3 n GLY 4 Ca 0.00 0.05 -0.41 0.00 0.00 0.00 0.00 46.02 45.67 1wg3 n GLY 4 CO 0.00 0.00 0.00 -1.26 0.00 0.00 0.00 173.32 172.06 1wg3 n SER 5 N 1.30 4.51 -1.39 1.61 2.88 -1.19 -4.72 113.62 116.63 1wg3 n SER 5 Ca 0.09 -2.87 0.00 0.00 -1.33 0.00 0.00 58.87 54.75 1wg3 n SER 5 Cb 0.65 -1.73 0.00 0.00 -0.75 0.00 0.00 64.21 62.38 1wg3 n SER 5 CO 0.00 0.00 0.00 -1.20 -1.23 0.00 0.00 175.04 172.61 1wg3 n SER 6 N 9.15 2.78 -0.01 -3.46 7.64 -1.26 -4.65 113.62 123.82 1wg3 n SER 6 Ca 0.49 -1.64 -0.00 0.00 1.01 0.00 0.00 58.87 58.73 1wg3 n SER 6 Cb 0.45 -0.55 -0.00 0.00 -1.01 0.00 0.00 64.21 63.10 1wg3 n SER 6 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 1wg3 n GLY 7 N 1.26 -0.25 0.00 0.23 0.00 -1.26 -4.61 105.19 100.55 1wg3 n GLY 7 Ca 0.00 0.06 0.00 0.00 0.00 0.00 0.00 46.02 46.08 1wg3 n GLY 7 CO 0.00 0.00 0.00 -0.13 0.00 0.00 0.00 173.32 173.19 1wg3 n MET 8 N -2.40 0.00 -3.23 1.61 1.56 -1.26 -4.78 117.12 108.61 1wg3 n MET 8 Ca 0.00 0.00 -0.42 0.00 -0.27 0.00 0.00 57.70 57.01 1wg3 n MET 8 Cb 0.00 0.00 -0.08 0.00 2.15 0.00 0.00 33.22 35.30 1wg3 n MET 8 CO 0.00 0.00 0.00 -1.12 -0.73 0.00 0.00 175.97 174.12 1wg3 s SER 9 N 0.00 6.30 0.11 6.12 0.01 -1.26 -4.89 113.70 120.08 1wg3 s SER 9 Ca 0.00 -0.18 -0.17 0.00 1.31 0.00 0.00 55.95 56.91 1wg3 s SER 9 Cb 0.00 -2.27 -0.05 0.00 0.21 0.00 0.00 66.02 63.91 1wg3 s SER 9 CO 0.00 -0.55 1.59 0.40 0.41 0.00 0.00 173.24 175.09 1wg3 h ILE 10 N 5.68 1.23 -3.41 1.44 1.08 -1.94 -3.44 117.51 118.15 1wg3 h ILE 10 Ca -0.27 -0.82 -0.66 0.00 -0.39 0.00 0.00 64.86 62.72 1wg3 h ILE 10 Cb 1.12 1.14 -0.21 0.00 -3.07 0.00 0.00 36.82 35.80 1wg3 h ILE 10 CO 0.80 0.27 -0.68 -0.69 -0.69 0.00 0.00 178.15 177.16 1wg3 s VAL 11 N -5.19 3.80 -0.12 1.67 1.01 -1.26 -1.27 120.40 119.04 1wg3 s VAL 11 Ca -0.13 -0.41 -0.01 0.00 0.00 0.00 0.00 61.98 61.43 1wg3 s VAL 11 Cb 0.09 -2.62 0.03 0.00 0.00 0.00 0.00 36.38 33.88 1wg3 s VAL 11 CO 0.76 0.54 -0.05 -0.44 0.00 0.00 0.00 175.10 175.90 1wg3 s SER 12 N -0.07 2.24 0.20 3.32 0.01 -0.94 -4.99 113.70 113.47 1wg3 s SER 12 Ca 0.01 -0.36 -0.32 0.00 1.31 0.00 0.00 55.95 56.59 1wg3 s SER 12 Cb -0.13 -0.77 -0.12 0.00 0.21 0.00 0.00 66.02 65.21 1wg3 s SER 12 CO 0.03 -0.16 1.73 -0.11 0.41 0.00 0.00 173.24 175.14 1wg3 n LEU 13 N 4.97 4.00 -0.02 2.44 7.94 -1.26 -2.77 117.00 132.31 1wg3 n LEU 13 Ca -0.11 1.06 0.04 0.00 -1.11 0.00 0.00 56.01 55.89 1wg3 n LEU 13 Cb 0.49 -1.57 -0.10 0.00 0.53 0.00 0.00 43.42 42.77 1wg3 n LEU 13 CO 0.15 0.19 -0.70 0.18 -1.11 0.00 0.00 177.39 176.10 1wg3 n LEU 14 N 4.06 0.00 0.00 -1.96 4.77 0.89 -4.96 117.00 119.80 1wg3 n LEU 14 Ca 0.16 0.00 0.00 0.00 -0.03 0.00 0.00 56.01 56.14 1wg3 n LEU 14 Cb 0.35 0.06 0.00 0.00 -2.33 0.00 0.00 43.42 41.50 1wg3 n LEU 14 CO 0.64 0.06 0.00 0.61 -1.33 0.00 0.00 177.39 177.37 1wg3 n GLY 15 N 1.85 1.84 2.84 -0.72 0.00 -0.69 -4.95 105.19 105.36 1wg3 n GLY 15 Ca -0.06 -0.22 -0.30 0.00 0.00 0.00 0.00 46.02 45.44 1wg3 n GLY 15 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1wg3 s ILE 16 N -1.61 1.35 -0.00 -0.61 1.01 -1.26 0.50 121.20 120.58 1wg3 s ILE 16 Ca 0.00 -1.64 -0.30 0.00 0.00 0.00 0.00 60.65 58.71 1wg3 s ILE 16 Cb 0.00 -1.97 -0.03 0.00 0.01 0.00 0.00 42.46 40.47 1wg3 s ILE 16 CO 0.00 -0.59 1.00 -0.75 0.00 0.00 0.00 174.94 174.61 1wg3 s LYS 17 N 1.39 4.54 -1.11 2.79 2.20 0.26 -4.81 119.74 125.00 1wg3 s LYS 17 Ca 0.08 1.45 -0.06 0.00 -0.36 0.00 0.00 55.97 57.09 1wg3 s LYS 17 Cb -0.18 -3.46 0.29 0.00 -1.51 0.00 0.00 37.83 32.97 1wg3 s LYS 17 CO -0.18 -0.09 1.49 0.28 -0.36 0.00 0.00 175.35 176.49 1wg3 n VAL 18 N 3.95 5.11 -1.22 4.02 0.31 -1.26 0.41 118.33 129.64 1wg3 n VAL 18 Ca 0.06 -5.66 -0.29 0.00 -0.01 0.00 0.00 64.34 58.45 1wg3 n VAL 18 Cb 0.50 -2.18 0.16 0.00 -0.91 0.00 0.00 33.84 31.42 1wg3 n VAL 18 CO 0.00 0.00 0.00 -1.48 -1.32 0.00 0.00 176.83 174.03 1wg3 s LEU 19 N -2.19 1.77 0.00 7.52 0.05 -1.19 -3.54 118.68 121.10 1wg3 s LEU 19 Ca 0.32 1.22 0.00 0.00 0.05 0.00 0.00 54.13 55.72 1wg3 s LEU 19 Cb 0.03 -3.46 0.00 0.00 -2.05 0.00 0.00 46.19 40.71 1wg3 s LEU 19 CO 0.07 -2.97 0.00 -3.20 -0.55 0.00 0.00 176.35 169.70 1wg3 n ASN 20 N -4.07 0.00 -4.77 1.48 5.15 -1.26 -4.29 115.26 107.49 1wg3 n ASN 20 Ca 0.06 0.00 -0.39 0.00 -0.60 0.00 0.00 54.58 53.64 1wg3 n ASN 20 Cb 0.57 0.00 -0.06 0.00 -0.53 0.00 0.00 39.78 39.76 1wg3 n ASN 20 CO 0.00 0.00 0.00 0.21 1.40 0.00 0.00 177.26 178.87 1wg3 s ASN 21 N -0.76 7.42 -1.19 1.20 2.47 -1.23 -0.89 114.94 121.96 1wg3 s ASN 21 Ca 0.00 1.70 -0.09 0.00 0.42 0.00 0.00 52.86 54.89 1wg3 s ASN 21 Cb 0.00 -2.52 0.22 0.00 -1.45 0.00 0.00 41.25 37.50 1wg3 s ASN 21 CO 0.00 0.18 1.55 -0.81 -3.72 0.00 0.00 177.10 174.30 1wg3 n PRO 22 N 1.48 3.72 -0.03 0.43 -0.04 -1.26 -5.05 135.00 134.24 1wg3 n PRO 22 Ca -0.04 -3.98 -0.03 0.00 -0.04 0.00 0.00 63.50 59.40 1wg3 n PRO 22 Cb 0.49 -2.81 0.03 0.00 -0.04 0.00 0.00 33.50 31.17 1wg3 n PRO 22 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 1wg3 n ALA 23 N 3.64 -0.56 -2.03 0.55 0.00 -0.07 -4.62 120.51 117.42 1wg3 n ALA 23 Ca 0.34 -0.16 -0.32 0.00 0.00 0.00 0.00 53.44 53.30 1wg3 n ALA 23 Cb 0.38 -0.01 -0.05 0.00 0.00 0.00 0.00 19.45 19.77 1wg3 n ALA 23 CO 0.00 0.00 0.00 0.15 0.00 0.00 0.00 177.50 177.65 1wg3 s LYS 24 N -2.89 3.95 0.57 0.00 -0.14 -1.26 -3.32 119.74 116.65 1wg3 s LYS 24 Ca 0.07 0.74 0.29 0.00 -1.36 0.00 0.00 55.97 55.72 1wg3 s LYS 24 Cb -0.01 -2.31 1.46 0.00 -1.68 0.00 0.00 37.83 35.29 1wg3 s LYS 24 CO 0.06 -0.04 1.88 0.35 -0.76 0.00 0.00 175.35 176.84 1wg3 h PHE 25 N 1.54 0.00 -0.60 3.18 3.57 -1.59 0.69 116.94 123.72 1wg3 h PHE 25 Ca -0.48 0.00 0.00 0.00 3.53 0.00 0.00 57.97 61.02 1wg3 h PHE 25 Cb 1.18 0.00 0.00 0.00 2.79 0.00 0.00 35.95 39.92 1wg3 h PHE 25 CO 0.62 0.00 0.00 0.25 -2.23 0.00 0.00 178.31 176.95 1wg3 n THR 26 N -3.88 1.79 -3.77 4.41 -2.24 -1.26 -4.62 114.28 104.71 1wg3 n THR 26 Ca 0.11 -1.11 -0.36 0.00 -2.27 0.00 0.00 64.05 60.42 1wg3 n THR 26 Cb 0.76 0.05 -0.06 0.00 -2.10 0.00 0.00 70.33 68.99 1wg3 n THR 26 CO 0.00 0.00 0.00 -1.81 -0.57 0.00 0.00 175.07 172.69 1wg3 s ASP 27 N -0.84 6.50 0.89 3.42 1.11 0.24 -4.86 116.67 123.12 1wg3 s ASP 27 Ca 0.48 0.58 -0.10 0.00 0.18 0.00 0.00 52.55 53.69 1wg3 s ASP 27 Cb 0.31 -2.11 0.13 0.00 1.07 0.00 0.00 42.92 42.33 1wg3 s ASP 27 CO 0.22 0.34 1.12 -2.84 1.18 0.00 0.00 175.17 175.19 1wg3 s PRO 28 N -1.32 1.27 -0.06 8.23 0.02 -1.26 -4.51 135.00 137.36 1wg3 s PRO 28 Ca 0.21 1.36 -0.17 0.00 0.02 0.00 0.00 61.00 62.42 1wg3 s PRO 28 Cb -0.13 -1.77 -0.05 0.00 0.02 0.00 0.00 34.50 32.57 1wg3 s PRO 28 CO 0.10 -2.39 0.47 0.71 -0.33 0.00 0.00 177.00 175.56 1wg3 s TYR 29 N -2.73 3.61 -0.14 6.54 2.02 0.61 -4.91 117.35 122.35 1wg3 s TYR 29 Ca 0.65 0.97 0.01 0.00 -0.37 0.00 0.00 57.07 58.33 1wg3 s TYR 29 Cb -0.21 -2.47 0.02 0.00 -0.40 0.00 0.00 41.96 38.90 1wg3 s TYR 29 CO 0.58 0.36 -0.16 -1.21 -1.57 0.00 0.00 175.55 173.55 1wg3 s GLU 30 N -0.09 2.41 -0.04 -0.62 0.41 -1.26 -0.97 118.70 118.54 1wg3 s GLU 30 Ca 0.26 -0.61 0.03 0.00 -0.41 0.00 0.00 54.97 54.24 1wg3 s GLU 30 Cb -0.16 -2.13 0.00 0.00 -1.78 0.00 0.00 34.13 30.06 1wg3 s GLU 30 CO 0.12 -0.18 -0.13 -0.06 -0.49 0.00 0.00 175.26 174.52 1wg3 s PHE 31 N 1.31 1.41 -0.79 1.61 0.08 -0.10 -3.15 117.98 118.36 1wg3 s PHE 31 Ca 0.02 -0.43 -0.07 0.00 0.12 0.00 0.00 56.93 56.57 1wg3 s PHE 31 Cb -0.13 -0.99 0.20 0.00 -0.57 0.00 0.00 43.02 41.53 1wg3 s PHE 31 CO -0.08 -0.18 0.67 -2.00 -0.10 0.00 0.00 175.22 173.53 1wg3 s GLU 32 N 0.26 3.21 -0.07 0.44 2.12 0.16 -0.37 118.70 124.46 1wg3 s GLU 32 Ca -0.07 -2.69 -0.25 0.00 0.36 0.00 0.00 54.97 52.32 1wg3 s GLU 32 Cb -0.12 -4.10 -0.03 0.00 0.26 0.00 0.00 34.13 30.14 1wg3 s GLU 32 CO 0.02 -1.24 0.78 0.42 -0.54 0.00 0.00 175.26 174.70 1wg3 s ILE 33 N -0.30 4.99 -0.08 -3.70 1.01 -0.80 -0.57 121.20 121.74 1wg3 s ILE 33 Ca 0.20 1.60 0.04 0.00 0.00 0.00 0.00 60.65 62.50 1wg3 s ILE 33 Cb -0.14 -4.11 -0.01 0.00 0.01 0.00 0.00 42.46 38.21 1wg3 s ILE 33 CO -0.07 0.20 -0.21 -0.89 0.00 0.00 0.00 174.94 173.97 1wg3 s THR 34 N 1.04 2.39 0.19 2.92 2.01 0.18 -1.24 115.64 123.12 1wg3 s THR 34 Ca 0.41 -0.94 -0.18 0.00 0.31 0.00 0.00 61.69 61.30 1wg3 s THR 34 Cb -0.18 -1.91 0.03 0.00 0.01 0.00 0.00 72.50 70.45 1wg3 s THR 34 CO 0.19 0.56 0.51 0.72 -0.69 0.00 0.00 174.62 175.92 1wg3 s PHE 35 N -0.08 -0.15 0.11 4.92 -0.12 -0.93 -0.08 117.98 121.65 1wg3 s PHE 35 Ca -0.05 -0.19 0.10 0.00 -0.05 0.00 0.00 56.93 56.75 1wg3 s PHE 35 Cb -0.14 0.39 -0.04 0.00 -0.63 0.00 0.00 43.02 42.60 1wg3 s PHE 35 CO 0.04 -0.89 -0.25 -1.83 -0.05 0.00 0.00 175.22 172.24 1wg3 s GLU 36 N -3.86 1.39 -0.24 1.99 -1.05 -1.11 -0.00 118.70 115.81 1wg3 s GLU 36 Ca 0.08 -1.27 0.02 0.00 -0.15 0.00 0.00 54.97 53.66 1wg3 s GLU 36 Cb -0.01 -1.79 0.05 0.00 -0.44 0.00 0.00 34.13 31.95 1wg3 s GLU 36 CO -0.04 0.43 -0.12 0.00 0.95 0.00 0.00 175.26 176.48 1wg3 h LEU 38 N 7.83 -0.88 0.00 0.00 3.38 -1.46 0.38 115.31 124.55 1wg3 h LEU 38 Ca -0.23 0.01 -0.42 0.00 0.09 0.00 0.00 57.88 57.34 1wg3 h LEU 38 Cb 1.06 0.23 -0.04 0.00 0.09 0.00 0.00 40.66 42.00 1wg3 h LEU 38 CO 0.48 -0.55 -0.21 -0.62 0.09 0.00 0.00 178.44 177.63 1wg3 n GLU 39 N -5.49 0.93 -2.93 1.13 1.02 -1.26 -4.66 120.64 109.39 1wg3 n GLU 39 Ca -0.14 -2.48 -0.33 0.00 -0.02 0.00 0.00 57.16 54.20 1wg3 n GLU 39 Cb 0.42 0.31 -0.06 0.00 -0.02 0.00 0.00 31.44 32.09 1wg3 n GLU 39 CO 0.00 0.00 0.00 0.45 1.18 0.00 0.00 177.13 178.76 1wg3 s SER 40 N -3.27 6.83 0.05 1.62 0.15 -1.26 -4.67 113.70 113.15 1wg3 s SER 40 Ca 0.20 1.49 0.09 0.00 0.70 0.00 0.00 55.95 58.43 1wg3 s SER 40 Cb -0.02 -2.46 -0.03 0.00 -1.71 0.00 0.00 66.02 61.81 1wg3 s SER 40 CO 0.13 -0.31 -0.24 -0.76 1.20 0.00 0.00 173.24 173.25 1wg3 s LEU 41 N -3.18 2.18 -0.05 3.45 1.43 -1.26 -5.03 118.68 116.22 1wg3 s LEU 41 Ca 0.58 -0.58 -0.23 0.00 -1.03 0.00 0.00 54.13 52.87 1wg3 s LEU 41 Cb -0.10 -1.15 -0.17 0.00 0.03 0.00 0.00 46.19 44.80 1wg3 s LEU 41 CO 0.17 0.21 0.98 0.11 0.23 0.00 0.00 176.35 178.04 1wg3 h LYS 42 N 4.73 -0.16 -7.25 1.70 1.57 -1.99 -3.45 116.57 111.72 1wg3 h LYS 42 Ca -0.45 0.01 -0.47 0.00 -1.87 0.00 0.00 60.65 57.87 1wg3 h LYS 42 Cb 1.15 0.04 0.10 0.00 0.08 0.00 0.00 32.23 33.60 1wg3 h LYS 42 CO 0.43 0.31 0.17 -1.01 -0.57 0.00 0.00 179.45 178.78 1wg3 s HIS 43 N -3.60 1.48 0.32 -1.35 3.76 -1.26 -5.03 115.29 109.60 1wg3 s HIS 43 Ca -0.14 -0.20 -0.04 0.00 -0.15 0.00 0.00 55.06 54.53 1wg3 s HIS 43 Cb 0.01 -3.20 -0.05 0.00 1.11 0.00 0.00 32.58 30.45 1wg3 s HIS 43 CO 0.54 -1.93 0.57 -0.51 -0.85 0.00 0.00 174.74 172.55 1wg3 s ASP 44 N -4.79 6.40 0.24 1.40 1.11 -1.26 -4.73 116.67 115.04 1wg3 s ASP 44 Ca 0.68 0.67 -0.18 0.00 0.18 0.00 0.00 52.55 53.91 1wg3 s ASP 44 Cb -0.05 -2.13 -0.08 0.00 1.07 0.00 0.00 42.92 41.73 1wg3 s ASP 44 CO 0.46 -0.25 0.71 -0.76 1.18 0.00 0.00 175.17 176.51 1wg3 s LEU 45 N -3.81 4.27 -0.12 1.23 1.43 -1.16 -4.44 118.68 116.07 1wg3 s LEU 45 Ca 0.43 1.35 0.03 0.00 -1.03 0.00 0.00 54.13 54.91 1wg3 s LEU 45 Cb -0.10 -3.68 0.01 0.00 0.03 0.00 0.00 46.19 42.45 1wg3 s LEU 45 CO 0.32 -0.02 -0.22 -0.70 0.23 0.00 0.00 176.35 175.97 1wg3 s GLU 46 N -2.22 2.91 0.12 1.70 2.12 -1.01 -0.80 118.70 121.52 1wg3 s GLU 46 Ca 0.45 -0.82 0.06 0.00 0.36 0.00 0.00 54.97 55.02 1wg3 s GLU 46 Cb -0.15 -2.31 -0.04 0.00 0.26 0.00 0.00 34.13 31.89 1wg3 s GLU 46 CO 0.20 0.03 -0.01 -1.58 -0.54 0.00 0.00 175.26 173.36 1wg3 s TRP 47 N 0.71 2.91 -0.15 5.30 0.52 -0.11 -1.16 118.94 126.96 1wg3 s TRP 47 Ca -0.10 -0.08 -0.27 0.00 0.02 0.00 0.00 56.10 55.67 1wg3 s TRP 47 Cb -0.16 -1.47 0.07 0.00 -1.15 0.00 0.00 33.47 30.76 1wg3 s TRP 47 CO 0.01 0.48 0.67 -1.59 0.02 0.00 0.00 176.95 176.54 1wg3 s LYS 48 N -2.52 0.92 0.01 4.98 -2.85 -0.63 -1.36 119.74 118.29 1wg3 s LYS 48 Ca 0.26 0.58 0.04 0.00 -1.00 0.00 0.00 55.97 55.84 1wg3 s LYS 48 Cb -0.11 0.44 -0.03 0.00 -2.06 0.00 0.00 37.83 36.07 1wg3 s LYS 48 CO 0.18 -0.21 -0.08 -1.17 0.10 0.00 0.00 175.35 174.17 1wg3 s LEU 49 N -0.44 3.12 -0.03 2.77 2.96 -0.91 -1.01 118.68 125.14 1wg3 s LEU 49 Ca -0.06 -0.18 0.00 0.00 -0.22 0.00 0.00 54.13 53.68 1wg3 s LEU 49 Cb -0.03 -1.79 0.03 0.00 0.50 0.00 0.00 46.19 44.90 1wg3 s LEU 49 CO 0.05 0.28 0.01 -0.89 -1.32 0.00 0.00 176.35 174.48 1wg3 s THR 50 N -1.00 0.10 -0.14 3.68 2.01 -0.78 -0.89 115.64 118.62 1wg3 s THR 50 Ca 0.17 0.12 -0.23 0.00 0.31 0.00 0.00 61.69 62.06 1wg3 s THR 50 Cb -0.11 -0.21 -0.03 0.00 0.01 0.00 0.00 72.50 72.17 1wg3 s THR 50 CO 0.08 0.12 0.71 -0.47 -0.69 0.00 0.00 174.62 174.36 1wg3 s TYR 51 N 0.98 3.46 -0.10 4.92 6.14 0.59 -0.56 117.35 132.79 1wg3 s TYR 51 Ca -0.09 1.13 0.02 0.00 0.64 0.00 0.00 57.07 58.77 1wg3 s TYR 51 Cb -0.13 -2.85 0.01 0.00 0.42 0.00 0.00 41.96 39.41 1wg3 s TYR 51 CO -0.02 -0.09 -0.14 0.08 0.64 0.00 0.00 175.55 176.02 1wg3 s VAL 52 N 1.55 1.37 -0.28 3.14 1.01 0.60 -2.19 120.40 125.60 1wg3 s VAL 52 Ca 0.34 -0.58 -0.17 0.00 0.00 0.00 0.00 61.98 61.57 1wg3 s VAL 52 Cb -0.17 -1.26 0.10 0.00 0.00 0.00 0.00 36.38 35.06 1wg3 s VAL 52 CO 0.14 0.41 0.81 -0.83 0.00 0.00 0.00 175.10 175.63 1wg3 s GLY 53 N 0.92 -0.38 0.56 4.51 0.00 -1.26 0.18 107.32 111.85 1wg3 s GLY 53 Ca -0.09 2.67 -0.18 0.00 0.00 0.00 0.00 44.72 47.12 1wg3 s GLY 53 CO -0.00 2.40 0.20 -1.14 0.00 0.00 0.00 173.10 174.56 1wg3 n SER 54 N 3.88 -2.34 -3.62 1.64 3.41 -1.26 -3.47 113.62 111.87 1wg3 n SER 54 Ca -0.19 0.68 -0.01 0.00 -0.26 0.00 0.00 58.87 59.09 1wg3 n SER 54 Cb 0.58 -1.02 -0.01 0.00 -0.26 0.00 0.00 64.21 63.50 1wg3 n SER 54 CO 0.00 0.00 0.00 -0.94 -0.16 0.00 0.00 175.04 173.94 1wg3 s SER 55 N -1.11 -0.10 -0.33 4.04 1.04 -1.26 -4.86 113.70 111.12 1wg3 s SER 55 Ca 0.63 -0.11 0.08 0.00 0.48 0.00 0.00 55.95 57.02 1wg3 s SER 55 Cb -0.46 0.19 0.55 0.00 0.10 0.00 0.00 66.02 66.40 1wg3 s SER 55 CO 0.60 -0.34 1.57 -2.11 0.98 0.00 0.00 173.24 173.95 1wg3 n ARG 56 N -0.35 1.94 0.00 4.02 1.85 -1.26 -4.85 116.66 118.01 1wg3 n ARG 56 Ca -0.05 -3.15 0.00 0.00 -1.00 0.00 0.00 57.85 53.64 1wg3 n ARG 56 Cb 0.61 -1.90 0.00 0.00 -1.05 0.00 0.00 32.46 30.12 1wg3 n ARG 56 CO 0.00 0.00 0.00 0.45 -0.01 0.00 0.00 177.63 178.07 1wg3 n SER 57 N -1.12 -0.03 -3.57 2.89 2.88 -1.26 -5.13 113.62 108.28 1wg3 n SER 57 Ca 0.39 0.12 -0.14 0.00 -1.33 0.00 0.00 58.87 57.91 1wg3 n SER 57 Cb 1.18 0.15 -0.12 0.00 -0.75 0.00 0.00 64.21 64.67 1wg3 n SER 57 CO 0.00 0.00 0.00 -0.22 -1.23 0.00 0.00 175.04 173.59 1wg3 s LEU 58 N -3.74 -0.29 0.00 2.46 0.20 -1.26 -4.95 118.68 111.10 1wg3 s LEU 58 Ca 0.00 0.30 0.00 0.00 0.69 0.00 0.00 54.13 55.12 1wg3 s LEU 58 Cb 0.00 0.67 0.00 0.00 -0.43 0.00 0.00 46.19 46.43 1wg3 s LEU 58 CO 0.00 -0.27 0.00 -0.67 -0.29 0.00 0.00 176.35 175.12 1wg3 n ASP 59 N 5.34 0.00 -3.20 3.68 2.03 -1.26 -4.26 116.55 118.88 1wg3 n ASP 59 Ca -0.06 0.00 -0.14 0.00 0.52 0.00 0.00 54.79 55.11 1wg3 n ASP 59 Cb 0.50 0.00 0.09 0.00 -0.72 0.00 0.00 41.12 40.98 1wg3 n ASP 59 CO 0.00 0.00 0.00 0.00 -1.92 0.00 0.00 177.20 175.28 1wg3 n HIS 60 N -0.22 -3.57 -1.26 -0.67 1.44 -1.23 -4.14 115.22 105.59 1wg3 n HIS 60 Ca 0.00 -0.80 0.00 0.00 -2.01 0.00 0.00 57.72 54.91 1wg3 n HIS 60 Cb 0.00 -0.48 0.00 0.00 0.12 0.00 0.00 29.99 29.63 1wg3 n HIS 60 CO 0.00 0.00 0.00 -0.25 -2.81 0.00 0.00 176.34 173.28 1wg3 n ASP 61 N -3.21 -0.18 -4.56 4.39 8.00 -1.12 -4.81 116.55 115.06 1wg3 n ASP 61 Ca 0.09 0.09 -0.42 0.00 0.71 0.00 0.00 54.79 55.27 1wg3 n ASP 61 Cb 0.32 -0.58 -0.03 0.00 -0.02 0.00 0.00 41.12 40.81 1wg3 n ASP 61 CO 0.00 0.00 0.00 -1.58 -0.39 0.00 0.00 177.20 175.23 1wg3 s GLN 62 N -2.51 3.31 -0.03 -1.24 0.74 -0.93 -4.92 119.66 114.08 1wg3 s GLN 62 Ca 0.00 -0.08 -0.30 0.00 0.05 0.00 0.00 55.36 55.03 1wg3 s GLN 62 Cb 0.00 -4.12 -0.05 0.00 1.10 0.00 0.00 33.01 29.94 1wg3 s GLN 62 CO 0.00 -1.96 1.40 -2.00 -0.55 0.00 0.00 175.29 172.18 1wg3 s GLU 63 N 5.36 4.27 0.03 1.67 2.12 -1.26 -0.30 118.70 130.59 1wg3 s GLU 63 Ca 0.37 1.93 -0.07 0.00 0.36 0.00 0.00 54.97 57.56 1wg3 s GLU 63 Cb -0.08 -3.65 -0.30 0.00 0.26 0.00 0.00 34.13 30.36 1wg3 s GLU 63 CO 0.19 -0.62 0.98 -0.07 -0.54 0.00 0.00 175.26 175.20 1wg3 h LEU 64 N 8.77 0.53 -7.04 2.70 3.38 -1.35 -3.47 115.31 118.83 1wg3 h LEU 64 Ca -0.36 -0.62 0.34 0.00 0.09 0.00 0.00 57.88 57.32 1wg3 h LEU 64 Cb 1.17 -0.17 -0.17 0.00 0.09 0.00 0.00 40.66 41.57 1wg3 h LEU 64 CO 0.92 1.50 0.93 -0.62 0.09 0.00 0.00 178.44 181.26 1wg3 s ASP 65 N -7.21 -0.04 0.02 -0.43 2.15 -1.22 -4.36 116.67 105.59 1wg3 s ASP 65 Ca -0.08 -0.02 -0.09 0.00 0.43 0.00 0.00 52.55 52.80 1wg3 s ASP 65 Cb 0.06 0.06 0.00 0.00 -0.30 0.00 0.00 42.92 42.74 1wg3 s ASP 65 CO 0.89 -0.10 0.17 -0.55 -0.17 0.00 0.00 175.17 175.41 1wg3 s SER 66 N -2.48 0.04 -0.19 -0.34 0.15 -1.26 -2.15 113.70 107.47 1wg3 s SER 66 Ca 0.13 -0.31 -0.24 0.00 0.70 0.00 0.00 55.95 56.22 1wg3 s SER 66 Cb 0.02 0.26 0.06 0.00 -1.71 0.00 0.00 66.02 64.65 1wg3 s SER 66 CO -0.04 -0.49 0.65 -0.51 1.20 0.00 0.00 173.24 174.05 1wg3 s ILE 67 N -2.14 0.00 -0.30 6.45 2.07 -0.46 -4.99 121.20 121.83 1wg3 s ILE 67 Ca -0.09 -0.02 -0.08 0.00 -1.41 0.00 0.00 60.65 59.05 1wg3 s ILE 67 Cb -0.03 -0.92 0.00 0.00 0.13 0.00 0.00 42.46 41.64 1wg3 s ILE 67 CO -0.02 -0.01 0.11 -0.76 -1.91 0.00 0.00 174.94 172.35 1wg3 s LEU 68 N -0.10 3.93 -0.31 8.50 1.43 -1.26 -0.93 118.68 129.95 1wg3 s LEU 68 Ca -0.03 -0.61 -0.21 0.00 -1.03 0.00 0.00 54.13 52.25 1wg3 s LEU 68 Cb -0.04 -1.93 -0.01 0.00 0.03 0.00 0.00 46.19 44.25 1wg3 s LEU 68 CO 0.03 -0.19 0.66 -0.69 0.23 0.00 0.00 176.35 176.40 1wg3 s VAL 69 N 1.55 4.90 0.00 -1.59 1.01 0.02 -4.96 120.40 121.34 1wg3 s VAL 69 Ca 0.04 0.91 0.00 0.00 0.00 0.00 0.00 61.98 62.93 1wg3 s VAL 69 Cb -0.17 -4.04 0.00 0.00 0.00 0.00 0.00 36.38 32.17 1wg3 s VAL 69 CO 0.04 -0.17 0.00 0.61 0.00 0.00 0.00 175.10 175.58 1wg3 n GLY 70 N 4.39 0.00 3.64 4.51 0.00 -1.26 -2.99 105.19 113.48 1wg3 n GLY 70 Ca 0.00 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.62 1wg3 n GLY 70 CO 0.00 0.00 0.00 -4.14 0.00 0.00 0.00 173.32 169.18 1wg3 s PRO 71 N 0.00 4.14 -0.54 1.61 0.02 -1.26 -4.24 135.00 134.73 1wg3 s PRO 71 Ca 0.00 0.49 -0.24 0.00 0.02 0.00 0.00 61.00 61.27 1wg3 s PRO 71 Cb 0.00 -3.61 0.04 0.00 0.02 0.00 0.00 34.50 30.95 1wg3 s PRO 71 CO 0.00 -0.30 0.94 0.08 -0.33 0.00 0.00 177.00 177.39 1wg3 s VAL 72 N 2.12 4.40 0.33 3.83 1.01 -1.26 -5.01 120.40 125.82 1wg3 s VAL 72 Ca 0.25 0.33 -0.29 0.00 0.00 0.00 0.00 61.98 62.27 1wg3 s VAL 72 Cb -0.16 -4.53 -0.11 0.00 0.00 0.00 0.00 36.38 31.59 1wg3 s VAL 72 CO 0.09 -1.08 1.53 -2.84 0.00 0.00 0.00 175.10 172.80 1wg3 s PRO 73 N 3.92 4.12 0.19 2.72 0.02 -1.26 -4.57 135.00 140.15 1wg3 s PRO 73 Ca 0.31 2.56 -0.31 0.00 0.02 0.00 0.00 61.00 63.59 1wg3 s PRO 73 Cb -0.12 -3.00 -0.10 0.00 0.02 0.00 0.00 34.50 31.30 1wg3 s PRO 73 CO 0.20 -0.57 1.46 0.08 -0.33 0.00 0.00 177.00 177.84 1wg3 s VAL 74 N -0.59 2.81 -1.29 3.83 1.01 -1.26 -4.58 120.40 120.33 1wg3 s VAL 74 Ca 0.58 0.62 0.00 0.00 0.00 0.00 0.00 61.98 63.18 1wg3 s VAL 74 Cb -0.47 -3.40 0.00 0.00 0.00 0.00 0.00 36.38 32.51 1wg3 s VAL 74 CO 0.56 0.07 0.00 0.61 0.00 0.00 0.00 175.10 176.34 1wg3 n GLY 75 N 2.95 0.54 3.45 4.51 0.00 0.13 -4.92 105.19 111.85 1wg3 n GLY 75 Ca 0.10 -2.08 -0.43 0.00 0.00 0.00 0.00 46.02 43.61 1wg3 n GLY 75 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1wg3 s VAL 76 N -0.89 5.09 0.43 1.61 1.01 -1.26 0.89 120.40 127.28 1wg3 s VAL 76 Ca 0.00 -0.56 0.08 0.00 0.00 0.00 0.00 61.98 61.50 1wg3 s VAL 76 Cb 0.00 -4.10 -0.01 0.00 0.00 0.00 0.00 36.38 32.27 1wg3 s VAL 76 CO 0.00 -0.52 0.43 0.20 0.00 0.00 0.00 175.10 175.21 1wg3 s ASN 77 N 2.14 5.16 -0.04 3.32 0.01 1.00 -4.97 114.94 121.56 1wg3 s ASN 77 Ca 0.10 -0.70 -0.01 0.00 -0.71 0.00 0.00 52.86 51.54 1wg3 s ASN 77 Cb -0.19 -0.52 0.03 0.00 0.41 0.00 0.00 41.25 40.99 1wg3 s ASN 77 CO 0.11 -0.72 0.07 -0.75 -1.51 0.00 0.00 177.10 174.30 1wg3 s LYS 78 N -4.20 -0.01 -0.03 -0.60 2.20 -1.26 -2.19 119.74 113.64 1wg3 s LYS 78 Ca 0.49 0.28 0.01 0.00 -0.36 0.00 0.00 55.97 56.39 1wg3 s LYS 78 Cb -0.05 -0.28 0.03 0.00 -1.51 0.00 0.00 37.83 36.02 1wg3 s LYS 78 CO 0.29 -0.20 -0.00 0.12 -0.36 0.00 0.00 175.35 175.19 1wg3 s PHE 79 N 1.35 0.34 -0.36 4.03 2.19 -0.37 -5.03 117.98 120.12 1wg3 s PHE 79 Ca -0.06 -0.02 -0.18 0.00 0.33 0.00 0.00 56.93 57.01 1wg3 s PHE 79 Cb -0.12 -0.42 -0.00 0.00 -1.31 0.00 0.00 43.02 41.17 1wg3 s PHE 79 CO -0.04 -0.13 0.49 0.08 1.83 0.00 0.00 175.22 177.45 1wg3 s VAL 80 N 0.96 5.04 -0.12 3.12 1.01 -1.26 -1.91 120.40 127.23 1wg3 s VAL 80 Ca -0.10 0.20 -0.21 0.00 0.00 0.00 0.00 61.98 61.88 1wg3 s VAL 80 Cb -0.13 -3.96 -0.04 0.00 0.00 0.00 0.00 36.38 32.25 1wg3 s VAL 80 CO -0.01 -0.24 0.60 0.12 0.00 0.00 0.00 175.10 175.56 1wg3 s PHE 81 N 2.33 3.50 -0.27 5.22 5.36 0.50 -4.91 117.98 129.69 1wg3 s PHE 81 Ca 0.17 1.03 0.03 0.00 -0.96 0.00 0.00 56.93 57.19 1wg3 s PHE 81 Cb -0.16 -2.71 0.07 0.00 -0.34 0.00 0.00 43.02 39.88 1wg3 s PHE 81 CO 0.13 0.04 -0.06 0.45 -1.46 0.00 0.00 175.22 174.32 1wg3 s SER 82 N 0.85 4.42 -0.17 6.13 0.15 -1.25 -0.92 113.70 122.90 1wg3 s SER 82 Ca 0.31 -1.53 -0.05 0.00 0.70 0.00 0.00 55.95 55.37 1wg3 s SER 82 Cb -0.16 -1.50 -0.03 0.00 -1.71 0.00 0.00 66.02 62.62 1wg3 s SER 82 CO 0.13 -0.24 -0.00 0.00 1.20 0.00 0.00 173.24 174.33 1wg3 s ALA 83 N 1.11 3.11 0.58 5.45 0.00 -0.14 -4.91 121.76 126.96 1wg3 s ALA 83 Ca -0.04 -0.84 -0.20 0.00 0.00 0.00 0.00 51.96 50.87 1wg3 s ALA 83 Cb -0.20 -1.70 -0.04 0.00 0.00 0.00 0.00 23.12 21.19 1wg3 s ALA 83 CO -0.06 0.12 1.33 -0.51 0.00 0.00 0.00 175.76 176.64 1wg3 s ASP 84 N 0.52 5.05 0.84 0.00 1.01 -1.26 -0.29 116.67 122.54 1wg3 s ASP 84 Ca -0.01 2.71 -0.12 0.00 0.71 0.00 0.00 52.55 55.84 1wg3 s ASP 84 Cb -0.14 -2.63 0.10 0.00 1.01 0.00 0.00 42.92 41.26 1wg3 s ASP 84 CO 0.02 -1.71 1.10 -2.84 0.21 0.00 0.00 175.17 171.95 1wg3 s PRO 85 N -3.07 1.72 0.47 8.23 0.02 -1.26 -4.74 135.00 136.37 1wg3 s PRO 85 Ca 0.75 0.59 -0.20 0.00 0.02 0.00 0.00 61.00 62.17 1wg3 s PRO 85 Cb -0.39 -1.88 -0.09 0.00 0.02 0.00 0.00 34.50 32.15 1wg3 s PRO 85 CO 0.45 -1.86 0.98 -2.14 -0.33 0.00 0.00 177.00 174.10 1wg3 s PRO 86 N -5.14 4.03 0.07 5.54 0.02 -1.26 -5.00 135.00 133.26 1wg3 s PRO 86 Ca 0.62 1.14 -0.30 0.00 0.02 0.00 0.00 61.00 62.48 1wg3 s PRO 86 Cb -0.15 -2.14 -0.06 0.00 0.02 0.00 0.00 34.50 32.17 1wg3 s PRO 86 CO 0.55 -0.21 1.18 -1.54 -0.33 0.00 0.00 177.00 176.65 1wg3 s SER 87 N -2.36 7.11 0.49 2.53 1.04 -1.26 -4.84 113.70 116.40 1wg3 s SER 87 Ca 0.63 2.02 0.27 0.00 0.48 0.00 0.00 55.95 59.34 1wg3 s SER 87 Cb -0.11 -2.58 1.48 0.00 0.10 0.00 0.00 66.02 64.90 1wg3 s SER 87 CO 0.20 -0.44 1.81 0.00 0.98 0.00 0.00 173.24 175.79 1wg3 h ALA 88 N 6.59 1.12 0.00 5.32 0.00 -1.95 0.16 119.26 130.50 1wg3 h ALA 88 Ca -0.42 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.49 1wg3 h ALA 88 Cb 1.21 0.00 0.00 0.00 0.00 0.00 0.00 17.79 19.00 1wg3 h ALA 88 CO 0.80 -0.12 0.03 0.39 0.00 0.00 0.00 179.25 180.34 1wg3 n GLU 89 N -2.55 0.08 -2.96 0.00 -0.58 -1.26 -2.97 120.64 110.40 1wg3 n GLU 89 Ca -0.02 0.58 -0.15 0.00 -0.42 0.00 0.00 57.16 57.15 1wg3 n GLU 89 Cb 0.19 -1.80 -0.01 0.00 -0.57 0.00 0.00 31.44 29.25 1wg3 n GLU 89 CO 0.00 0.00 0.00 1.28 -0.48 0.00 0.00 177.13 177.93 1wg3 n LEU 90 N -1.96 1.24 -3.77 -4.62 4.77 0.55 -5.05 117.00 108.17 1wg3 n LEU 90 Ca -0.01 -4.52 -0.13 0.00 -0.03 0.00 0.00 56.01 51.33 1wg3 n LEU 90 Cb 0.05 0.55 -0.12 0.00 -2.33 0.00 0.00 43.42 41.57 1wg3 n LEU 90 CO 0.06 2.00 -0.07 0.27 -1.33 0.00 0.00 177.39 178.32 1wg3 s ILE 91 N -2.81 -0.01 0.04 -0.08 -4.36 -1.16 -4.47 121.20 108.35 1wg3 s ILE 91 Ca 0.35 0.03 -0.20 0.00 -0.26 0.00 0.00 60.65 60.58 1wg3 s ILE 91 Cb 0.39 -0.39 -0.10 0.00 1.25 0.00 0.00 42.46 43.61 1wg3 s ILE 91 CO -0.04 0.01 0.48 -2.65 0.24 0.00 0.00 174.94 172.98 1wg3 n PRO 92 N 3.26 0.00 -0.02 0.37 -0.02 -1.26 -4.86 135.00 132.46 1wg3 n PRO 92 Ca -0.16 0.00 -0.16 0.00 -2.02 0.00 0.00 63.50 61.16 1wg3 n PRO 92 Cb 0.57 -0.72 -0.11 0.00 -0.02 0.00 0.00 33.50 33.22 1wg3 n PRO 92 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 1wg3 h ALA 93 N 1.25 0.07 -0.27 3.55 0.00 -1.96 -2.87 119.26 119.04 1wg3 h ALA 93 Ca -0.23 -0.50 0.00 0.00 0.00 0.00 0.00 54.91 54.18 1wg3 h ALA 93 Cb 0.79 0.02 0.00 0.00 0.00 0.00 0.00 17.79 18.59 1wg3 h ALA 93 CO 0.34 0.21 0.00 0.43 0.00 0.00 0.00 179.25 180.23 1wg3 n SER 94 N -4.38 2.76 -4.39 0.00 7.64 -1.26 -2.25 113.62 111.75 1wg3 n SER 94 Ca -0.10 -2.31 -0.39 0.00 1.01 0.00 0.00 58.87 57.09 1wg3 n SER 94 Cb 0.57 -0.50 0.03 0.00 -1.01 0.00 0.00 64.21 63.29 1wg3 n SER 94 CO 0.00 0.00 0.00 1.21 -3.01 0.00 0.00 175.04 173.24 1wg3 n GLU 95 N 0.31 0.32 -0.49 1.43 2.13 -1.09 -4.88 120.64 118.38 1wg3 n GLU 95 Ca 0.12 0.13 -0.02 0.00 0.66 0.00 0.00 57.16 58.05 1wg3 n GLU 95 Cb 0.58 -1.43 -0.02 0.00 0.27 0.00 0.00 31.44 30.84 1wg3 n GLU 95 CO 0.00 0.00 0.00 -0.11 -0.41 0.00 0.00 177.13 176.61 1wg3 n LEU 96 N 1.27 -0.23 -4.50 4.31 7.94 -1.26 -4.74 117.00 119.78 1wg3 n LEU 96 Ca 0.10 -0.64 -0.32 0.00 -1.11 0.00 0.00 56.01 54.04 1wg3 n LEU 96 Cb 0.47 0.00 -0.05 0.00 0.53 0.00 0.00 43.42 44.37 1wg3 n LEU 96 CO 0.52 0.82 1.64 0.52 -1.11 0.00 0.00 177.39 179.79 1wg3 n VAL 97 N 0.00 2.27 0.26 1.96 0.31 -1.26 -4.74 118.33 117.13 1wg3 n VAL 97 Ca -0.07 -2.33 0.09 0.00 -0.01 0.00 0.00 64.34 62.02 1wg3 n VAL 97 Cb 0.34 -2.22 0.66 0.00 -0.91 0.00 0.00 33.84 31.71 1wg3 n VAL 97 CO 0.00 0.00 0.00 0.28 -1.32 0.00 0.00 176.83 175.79 1wg3 h SER 98 N 9.17 0.00 -3.12 4.52 0.02 -1.94 -3.40 113.55 118.79 1wg3 h SER 98 Ca 0.28 0.00 -0.61 0.00 -0.84 0.00 0.00 61.79 60.62 1wg3 h SER 98 Cb 0.90 0.00 -0.36 0.00 0.14 0.00 0.00 62.40 63.08 1wg3 h SER 98 CO 1.33 0.07 -0.83 -0.69 -1.14 0.00 0.00 176.83 175.56 1wg3 s VAL 99 N -4.74 1.59 0.38 2.27 1.01 -1.26 -0.10 120.40 119.55 1wg3 s VAL 99 Ca -0.04 -0.65 0.06 0.00 0.00 0.00 0.00 61.98 61.34 1wg3 s VAL 99 Cb 0.16 -1.49 -0.02 0.00 0.00 0.00 0.00 36.38 35.03 1wg3 s VAL 99 CO 0.64 0.46 0.20 0.35 0.00 0.00 0.00 175.10 176.76 1wg3 n THR 100 N 4.74 0.00 -4.23 3.92 -2.24 -1.12 -4.71 114.28 110.63 1wg3 n THR 100 Ca -0.17 -2.40 -0.17 0.00 -2.27 0.00 0.00 64.05 59.03 1wg3 n THR 100 Cb 0.50 1.01 -0.13 0.00 -2.10 0.00 0.00 70.33 69.61 1wg3 n THR 100 CO 0.00 0.00 0.00 -0.69 -0.57 0.00 0.00 175.07 173.81 1wg3 s VAL 101 N -3.20 0.81 -0.05 2.28 1.01 0.46 -0.60 120.40 121.11 1wg3 s VAL 101 Ca 0.29 -0.87 0.05 0.00 0.00 0.00 0.00 61.98 61.45 1wg3 s VAL 101 Cb 0.01 -0.76 -0.01 0.00 0.00 0.00 0.00 36.38 35.62 1wg3 s VAL 101 CO 0.20 -0.08 -0.20 0.27 0.00 0.00 0.00 175.10 175.29 1wg3 s ILE 102 N -0.86 1.65 -0.26 2.22 -4.36 -0.25 0.22 121.20 119.56 1wg3 s ILE 102 Ca -0.02 -0.84 0.02 0.00 -0.26 0.00 0.00 60.65 59.55 1wg3 s ILE 102 Cb -0.07 -1.41 0.06 0.00 1.25 0.00 0.00 42.46 42.28 1wg3 s ILE 102 CO 0.01 0.47 -0.09 -0.76 0.24 0.00 0.00 174.94 174.81 1wg3 s LEU 103 N -0.05 3.49 -0.21 0.37 1.43 0.28 -1.27 118.68 122.72 1wg3 s LEU 103 Ca -0.03 -1.33 -0.16 0.00 -1.03 0.00 0.00 54.13 51.57 1wg3 s LEU 103 Cb -0.12 -1.58 -0.04 0.00 0.03 0.00 0.00 46.19 44.48 1wg3 s LEU 103 CO 0.03 -0.20 0.42 -0.22 0.23 0.00 0.00 176.35 176.61 1wg3 s LEU 104 N 1.14 4.14 0.03 1.79 0.20 -0.76 -1.86 118.68 123.37 1wg3 s LEU 104 Ca -0.08 0.53 0.01 0.00 0.69 0.00 0.00 54.13 55.28 1wg3 s LEU 104 Cb -0.20 -2.55 -0.02 0.00 -0.43 0.00 0.00 46.19 42.99 1wg3 s LEU 104 CO -0.04 -0.12 -0.05 -0.94 -0.29 0.00 0.00 176.35 174.91 1wg3 s SER 105 N 1.14 0.56 0.04 3.68 1.04 -0.18 -0.49 113.70 119.49 1wg3 s SER 105 Ca 0.20 -0.53 0.08 0.00 0.48 0.00 0.00 55.95 56.17 1wg3 s SER 105 Cb -0.15 0.07 -0.03 0.00 0.10 0.00 0.00 66.02 66.01 1wg3 s SER 105 CO 0.08 -0.26 -0.20 0.00 0.98 0.00 0.00 173.24 173.85 1wg3 s SER 107 N -1.43 1.83 -0.06 0.00 0.01 -0.31 -1.95 113.70 111.80 1wg3 s SER 107 Ca 0.14 -1.45 -0.02 0.00 1.31 0.00 0.00 55.95 55.92 1wg3 s SER 107 Cb -0.10 0.18 0.04 0.00 0.21 0.00 0.00 66.02 66.34 1wg3 s SER 107 CO 0.05 -0.75 0.12 -0.47 0.41 0.00 0.00 173.24 172.60 1wg3 s TYR 108 N -3.52 -0.12 -0.71 2.43 5.04 0.55 -2.40 117.35 118.62 1wg3 s TYR 108 Ca 0.35 0.42 0.00 0.00 -2.44 0.00 0.00 57.07 55.40 1wg3 s TYR 108 Cb 0.07 -0.12 0.00 0.00 0.35 0.00 0.00 41.96 42.26 1wg3 s TYR 108 CO 0.15 -0.15 0.00 -3.47 -1.34 0.00 0.00 175.55 170.73 1wg3 n ASP 109 N 4.24 -2.61 0.00 4.32 2.03 -1.26 0.91 116.55 124.18 1wg3 n ASP 109 Ca -0.26 0.28 0.00 0.00 0.52 0.00 0.00 54.79 55.32 1wg3 n ASP 109 Cb 0.51 -2.37 0.00 0.00 -0.72 0.00 0.00 41.12 38.55 1wg3 n ASP 109 CO 0.00 0.00 0.00 0.61 -1.92 0.00 0.00 177.20 175.89 1wg3 n GLY 110 N -0.54 1.21 3.59 0.27 0.00 -1.26 -5.04 105.19 103.41 1wg3 n GLY 110 Ca -0.09 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 45.54 1wg3 n GLY 110 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 1wg3 s ARG 111 N -0.75 3.92 0.24 1.61 0.52 0.26 -5.04 118.95 119.70 1wg3 s ARG 111 Ca 0.00 -0.15 -0.30 0.00 -0.52 0.00 0.00 55.73 54.76 1wg3 s ARG 111 Cb 0.00 -3.68 -0.09 0.00 0.52 0.00 0.00 34.95 31.70 1wg3 s ARG 111 CO 0.00 -0.29 1.25 -2.00 0.02 0.00 0.00 175.30 174.28 1wg3 s GLU 112 N 1.96 4.44 0.00 3.54 2.12 -1.26 -0.33 118.70 129.17 1wg3 s GLU 112 Ca 0.12 2.02 0.00 0.00 0.36 0.00 0.00 54.97 57.47 1wg3 s GLU 112 Cb -0.16 -3.17 0.00 0.00 0.26 0.00 0.00 34.13 31.06 1wg3 s GLU 112 CO 0.11 -0.13 0.24 1.97 -0.54 0.00 0.00 175.26 176.91 1wg3 n PHE 113 N 1.90 0.00 -3.51 5.30 1.16 -0.82 -4.65 117.46 116.84 1wg3 n PHE 113 Ca 0.03 0.00 -0.17 0.00 -1.87 0.00 0.00 57.45 55.44 1wg3 n PHE 113 Cb 0.43 0.00 -0.05 0.00 -1.61 0.00 0.00 39.48 38.25 1wg3 n PHE 113 CO 0.00 0.00 0.00 0.54 -1.87 0.00 0.00 176.76 175.43 1wg3 s VAL 114 N -0.21 0.00 -0.21 1.97 0.11 -1.19 -1.74 120.40 119.13 1wg3 s VAL 114 Ca 0.00 -0.00 -0.12 0.00 -2.93 0.00 0.00 61.98 58.93 1wg3 s VAL 114 Cb 0.00 -1.00 0.07 0.00 -1.53 0.00 0.00 36.38 33.92 1wg3 s VAL 114 CO 0.00 -0.00 0.51 -0.60 -3.33 0.00 0.00 175.10 171.68 1wg3 s ARG 115 N -1.54 0.51 -0.23 1.54 3.52 -0.50 -2.51 118.95 119.74 1wg3 s ARG 115 Ca -0.09 0.93 -0.03 0.00 -0.13 0.00 0.00 55.73 56.41 1wg3 s ARG 115 Cb -0.00 0.04 0.01 0.00 -1.56 0.00 0.00 34.95 33.44 1wg3 s ARG 115 CO 0.07 -0.15 -0.07 0.08 -0.81 0.00 0.00 175.30 174.42 1wg3 s VAL 116 N 1.43 3.04 -0.15 7.11 1.01 0.35 -0.67 120.40 132.52 1wg3 s VAL 116 Ca -0.09 -0.76 -0.16 0.00 0.00 0.00 0.00 61.98 60.97 1wg3 s VAL 116 Cb -0.07 -2.44 -0.04 0.00 0.00 0.00 0.00 36.38 33.83 1wg3 s VAL 116 CO -0.15 0.34 0.38 -0.83 0.00 0.00 0.00 175.10 174.85 1wg3 s GLY 117 N 1.40 2.27 -0.05 4.51 0.00 0.22 -1.82 107.32 113.84 1wg3 s GLY 117 Ca 0.03 -0.35 0.03 0.00 0.00 0.00 0.00 44.72 44.43 1wg3 s GLY 117 CO -0.05 0.63 -0.15 -0.19 0.00 0.00 0.00 173.10 173.35 1wg3 s TYR 118 N 0.66 1.57 0.12 1.90 2.02 -0.39 -1.67 117.35 121.55 1wg3 s TYR 118 Ca 0.21 -0.51 -0.18 0.00 -0.37 0.00 0.00 57.07 56.22 1wg3 s TYR 118 Cb -0.14 -1.09 -0.07 0.00 -0.40 0.00 0.00 41.96 40.26 1wg3 s TYR 118 CO 0.07 -0.22 0.59 0.71 -1.57 0.00 0.00 175.55 175.13 1wg3 s TYR 119 N 0.32 3.73 0.10 2.71 2.02 -1.26 -1.09 117.35 123.87 1wg3 s TYR 119 Ca -0.09 1.23 0.09 0.00 -0.37 0.00 0.00 57.07 57.93 1wg3 s TYR 119 Cb -0.13 -2.48 -0.04 0.00 -0.40 0.00 0.00 41.96 38.91 1wg3 s TYR 119 CO 0.03 0.50 -0.24 0.08 -1.57 0.00 0.00 175.55 174.35 1wg3 s VAL 120 N -1.28 1.98 -0.15 0.71 1.01 0.23 -1.13 120.40 121.78 1wg3 s VAL 120 Ca 0.34 -1.59 0.02 0.00 0.00 0.00 0.00 61.98 60.74 1wg3 s VAL 120 Cb -0.18 -1.76 0.01 0.00 0.00 0.00 0.00 36.38 34.45 1wg3 s VAL 120 CO 0.19 0.07 -0.20 0.21 0.00 0.00 0.00 175.10 175.38 1wg3 s ASN 121 N -1.84 3.27 -0.05 3.32 3.84 -0.45 -2.79 114.94 120.24 1wg3 s ASN 121 Ca 0.10 -0.57 0.05 0.00 0.21 0.00 0.00 52.86 52.64 1wg3 s ASN 121 Cb -0.10 -1.49 -0.00 0.00 -0.55 0.00 0.00 41.25 39.11 1wg3 s ASN 121 CO 0.05 0.07 -0.19 0.20 -2.79 0.00 0.00 177.10 174.43 1wg3 s ASN 122 N 0.91 2.44 -0.18 -4.21 0.01 0.86 0.81 114.94 115.58 1wg3 s ASN 122 Ca -0.04 -0.41 -0.18 0.00 -0.71 0.00 0.00 52.86 51.52 1wg3 s ASN 122 Cb -0.15 -0.74 0.05 0.00 0.41 0.00 0.00 41.25 40.82 1wg3 s ASN 122 CO -0.03 0.17 0.51 -1.83 -1.51 0.00 0.00 177.10 174.41 1wg3 s GLU 123 N 0.05 0.63 0.74 -0.60 -1.05 -1.17 -4.39 118.70 112.90 1wg3 s GLU 123 Ca -0.06 0.66 -0.16 0.00 -0.15 0.00 0.00 54.97 55.26 1wg3 s GLU 123 Cb -0.13 0.30 0.02 0.00 -0.44 0.00 0.00 34.13 33.89 1wg3 s GLU 123 CO 0.03 -0.09 1.04 0.66 0.95 0.00 0.00 175.26 177.86 1wg3 n TYR 124 N 2.65 0.90 -0.70 4.83 4.01 -1.25 -2.09 117.16 125.50 1wg3 n TYR 124 Ca -0.14 0.40 -0.16 0.00 -0.16 0.00 0.00 57.90 57.83 1wg3 n TYR 124 Cb 0.56 -2.10 0.16 0.00 -0.31 0.00 0.00 39.34 37.65 1wg3 n TYR 124 CO 0.00 0.00 0.00 -0.40 -0.46 0.00 0.00 176.86 176.00 1wg3 n ASP 125 N -2.03 3.68 -3.76 7.72 5.68 0.10 -4.85 116.55 123.10 1wg3 n ASP 125 Ca 0.13 -3.20 -0.14 0.00 -0.50 0.00 0.00 54.79 51.08 1wg3 n ASP 125 Cb 0.49 -0.75 -0.15 0.00 -1.14 0.00 0.00 41.12 39.57 1wg3 n ASP 125 CO 0.00 0.00 0.00 -1.61 -1.33 0.00 0.00 177.20 174.26 1wg3 s GLU 126 N -2.54 0.02 0.03 0.11 0.41 -1.26 -5.08 118.70 110.40 1wg3 s GLU 126 Ca 0.44 0.28 -0.07 0.00 -0.41 0.00 0.00 54.97 55.22 1wg3 s GLU 126 Cb 0.37 -0.22 -0.02 0.00 -1.78 0.00 0.00 34.13 32.48 1wg3 s GLU 126 CO 0.09 -0.17 0.89 0.39 -0.49 0.00 0.00 175.26 175.97 1wg3 n GLU 127 N 4.23 -0.10 -0.13 1.61 1.02 -1.26 -0.75 120.64 125.26 1wg3 n GLU 127 Ca -0.27 0.88 -0.05 0.00 -0.02 0.00 0.00 57.16 57.70 1wg3 n GLU 127 Cb 0.51 -1.31 0.13 0.00 -0.02 0.00 0.00 31.44 30.74 1wg3 n GLU 127 CO 0.00 0.00 0.00 1.05 1.18 0.00 0.00 177.13 179.36 1wg3 h GLU 128 N 0.00 0.84 0.00 3.49 9.09 -1.97 -0.43 114.58 125.60 1wg3 h GLU 128 Ca 0.03 -0.24 0.00 0.00 0.05 0.00 0.00 59.36 59.20 1wg3 h GLU 128 Cb 0.09 -0.09 0.00 0.00 -1.65 0.00 0.00 28.75 27.10 1wg3 h GLU 128 CO -0.21 0.85 0.00 -0.11 0.05 0.00 0.00 179.01 179.60 1wg3 n LEU 129 N -4.20 0.00 -0.03 3.06 7.94 -0.49 0.26 117.00 123.54 1wg3 n LEU 129 Ca 0.02 0.00 0.01 0.00 -1.11 0.00 0.00 56.01 54.94 1wg3 n LEU 129 Cb 0.32 0.00 0.02 0.00 0.53 0.00 0.00 43.42 44.29 1wg3 n LEU 129 CO 0.42 0.00 0.51 -1.14 -1.11 0.00 0.00 177.39 176.08 1wg3 n ARG 130 N -0.88 2.79 0.00 1.96 0.63 0.07 -4.06 116.66 117.17 1wg3 n ARG 130 Ca 0.10 -1.65 0.00 0.00 -0.92 0.00 0.00 57.85 55.38 1wg3 n ARG 130 Cb 0.05 -1.07 0.00 0.00 0.45 0.00 0.00 32.46 31.88 1wg3 n ARG 130 CO 0.00 0.00 0.00 -1.91 -2.51 0.00 0.00 177.63 173.21 1wg3 n GLU 131 N -0.59 2.96 -2.91 -0.14 4.07 0.26 -4.93 120.64 119.36 1wg3 n GLU 131 Ca 0.02 0.00 -0.13 0.00 -0.06 0.00 0.00 57.16 56.99 1wg3 n GLU 131 Cb 0.30 -0.69 0.03 0.00 -0.06 0.00 0.00 31.44 31.02 1wg3 n GLU 131 CO 0.00 0.00 0.00 0.09 -0.06 0.00 0.00 177.13 177.16 1wg3 n ASN 132 N -0.75 -1.33 -4.06 4.31 3.02 0.74 -5.06 115.26 112.13 1wg3 n ASN 132 Ca 0.00 -3.31 -0.34 0.00 -0.03 0.00 0.00 54.58 50.90 1wg3 n ASN 132 Cb 0.07 0.92 0.08 0.00 -0.61 0.00 0.00 39.78 40.24 1wg3 n ASN 132 CO 0.00 0.00 0.00 -2.65 -2.62 0.00 0.00 177.26 171.99 1wg3 n PRO 133 N 0.77 -0.67 -0.41 3.52 -0.02 -1.26 -4.68 135.00 132.25 1wg3 n PRO 133 Ca 0.13 -0.19 0.00 0.00 -2.02 0.00 0.00 63.50 61.42 1wg3 n PRO 133 Cb 0.65 -1.26 0.00 0.00 -0.02 0.00 0.00 33.50 32.87 1wg3 n PRO 133 CO 0.00 0.00 0.00 -2.30 1.98 0.00 0.00 175.50 175.18 1wg3 n PRO 134 N 0.70 0.87 0.00 0.52 -0.02 -1.26 -5.01 135.00 130.81 1wg3 n PRO 134 Ca -0.01 0.00 0.00 0.00 -2.02 0.00 0.00 63.50 61.47 1wg3 n PRO 134 Cb 0.66 0.00 0.00 0.00 -0.02 0.00 0.00 33.50 34.14 1wg3 n PRO 134 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 1wg3 n ALA 135 N -3.00 1.85 -3.62 3.55 0.00 -1.26 -4.92 120.51 113.11 1wg3 n ALA 135 Ca 0.00 -0.72 -0.23 0.00 0.00 0.00 0.00 53.44 52.49 1wg3 n ALA 135 Cb 0.00 0.00 -0.17 0.00 0.00 0.00 0.00 19.45 19.28 1wg3 n ALA 135 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 177.50 175.91 1wg3 s LYS 136 N -0.51 0.03 -0.30 0.00 0.00 -1.26 -4.56 119.74 113.14 1wg3 s LYS 136 Ca 0.00 0.13 -0.30 0.00 0.00 0.00 0.00 55.97 55.80 1wg3 s LYS 136 Cb 0.00 -1.26 -0.07 0.00 0.00 0.00 0.00 37.83 36.49 1wg3 s LYS 136 CO 0.00 -0.54 2.24 1.33 0.00 0.00 0.00 175.35 178.38 1wg3 n VAL 137 N 5.29 0.25 -2.39 1.79 0.24 -0.95 -4.85 118.33 117.71 1wg3 n VAL 137 Ca -0.06 -0.43 -0.43 0.00 -2.04 0.00 0.00 64.34 61.39 1wg3 n VAL 137 Cb 0.49 -2.27 0.00 0.00 -1.47 0.00 0.00 33.84 30.60 1wg3 n VAL 137 CO 0.00 0.00 0.00 0.00 -2.14 0.00 0.00 176.83 174.69 1wg3 n GLN 138 N 8.61 3.16 -0.33 7.34 1.13 -1.26 -4.85 117.38 131.19 1wg3 n GLN 138 Ca 0.35 -3.19 -0.02 0.00 -1.94 0.00 0.00 57.00 52.20 1wg3 n GLN 138 Cb 0.38 -3.34 0.02 0.00 0.11 0.00 0.00 30.24 27.41 1wg3 n GLN 138 CO 0.00 0.00 0.00 0.28 -1.44 0.00 0.00 177.06 175.90 1wg3 n VAL 139 N 5.61 -0.46 -0.55 5.09 0.31 -1.26 -1.35 118.33 125.71 1wg3 n VAL 139 Ca 0.48 1.99 -0.03 0.00 -0.01 0.00 0.00 64.34 66.76 1wg3 n VAL 139 Cb 0.43 -2.60 -0.05 0.00 -0.91 0.00 0.00 33.84 30.71 1wg3 n VAL 139 CO 0.00 0.00 0.00 -0.90 -1.32 0.00 0.00 176.83 174.61 1wg3 n ASP 140 N -5.22 4.44 0.00 4.52 5.68 -1.26 -1.31 116.55 123.40 1wg3 n ASP 140 Ca 0.08 -2.22 0.00 0.00 -0.50 0.00 0.00 54.79 52.14 1wg3 n ASP 140 Cb 0.32 -1.02 0.00 0.00 -1.14 0.00 0.00 41.12 39.28 1wg3 n ASP 140 CO 0.00 0.00 0.00 1.41 -1.33 0.00 0.00 177.20 177.28 1wg3 n HIS 141 N 1.90 0.00 -3.82 2.11 8.25 -0.45 -5.04 115.22 118.16 1wg3 n HIS 141 Ca 0.12 0.00 -0.36 0.00 -0.26 0.00 0.00 57.72 57.22 1wg3 n HIS 141 Cb 0.53 0.08 -0.11 0.00 1.12 0.00 0.00 29.99 31.61 1wg3 n HIS 141 CO 0.00 0.00 0.00 0.42 0.64 0.00 0.00 176.34 177.40 1wg3 s ILE 142 N 0.00 4.80 -0.30 1.59 1.01 -0.43 0.02 121.20 127.89 1wg3 s ILE 142 Ca 0.00 -0.02 -0.02 0.00 0.00 0.00 0.00 60.65 60.62 1wg3 s ILE 142 Cb 0.00 -3.22 0.05 0.00 0.01 0.00 0.00 42.46 39.30 1wg3 s ILE 142 CO 0.00 0.37 0.00 -0.69 0.00 0.00 0.00 174.94 174.63 1wg3 s VAL 143 N 1.06 2.98 0.57 2.92 1.01 -0.89 -1.60 120.40 126.45 1wg3 s VAL 143 Ca 0.05 -1.40 -0.15 0.00 0.00 0.00 0.00 61.98 60.48 1wg3 s VAL 143 Cb -0.14 -2.73 -0.05 0.00 0.00 0.00 0.00 36.38 33.46 1wg3 s VAL 143 CO 0.04 -0.12 1.02 0.00 0.00 0.00 0.00 175.10 176.04 1wg3 s ARG 144 N 1.25 3.63 -0.31 2.72 1.70 -1.21 -3.07 118.95 123.66 1wg3 s ARG 144 Ca -0.05 1.00 -0.01 0.00 -0.47 0.00 0.00 55.73 56.20 1wg3 s ARG 144 Cb -0.20 -2.09 0.12 0.00 -0.57 0.00 0.00 34.95 32.22 1wg3 s ARG 144 CO -0.01 -0.54 0.22 1.21 -1.08 0.00 0.00 175.30 175.10 1wg3 s ASN 145 N -3.20 2.67 0.05 -2.89 3.04 0.24 -4.27 114.94 110.58 1wg3 s ASN 145 Ca 0.60 -1.37 -0.31 0.00 0.04 0.00 0.00 52.86 51.82 1wg3 s ASN 145 Cb -0.12 -0.03 -0.07 0.00 -1.54 0.00 0.00 41.25 39.48 1wg3 s ASN 145 CO 0.38 -0.38 1.56 -0.63 -3.04 0.00 0.00 177.10 174.99 1wg3 s ILE 146 N 1.88 3.27 -1.49 -5.21 1.01 -1.26 -1.35 121.20 118.05 1wg3 s ILE 146 Ca 0.12 0.71 -0.10 0.00 0.00 0.00 0.00 60.65 61.38 1wg3 s ILE 146 Cb -0.17 -3.46 -0.07 0.00 0.01 0.00 0.00 42.46 38.77 1wg3 s ILE 146 CO -0.24 -0.00 2.76 0.18 0.00 0.00 0.00 174.94 177.63 1wg3 n LEU 147 N 5.46 7.96 0.00 2.97 4.32 -0.28 -4.70 117.00 132.73 1wg3 n LEU 147 Ca 0.15 -4.10 0.00 0.00 -0.02 0.00 0.00 56.01 52.04 1wg3 n LEU 147 Cb 0.42 -1.49 0.00 0.00 -1.62 0.00 0.00 43.42 40.73 1wg3 n LEU 147 CO 0.61 1.73 0.33 0.00 -1.22 0.00 0.00 177.39 178.84 1wg3 n ALA 148 N 3.95 0.59 0.02 -1.18 0.00 -1.26 -1.42 120.51 121.21 1wg3 n ALA 148 Ca 0.71 0.00 0.01 0.00 0.00 0.00 0.00 53.44 54.16 1wg3 n ALA 148 Cb 0.23 -0.48 -0.09 0.00 0.00 0.00 0.00 19.45 19.11 1wg3 n ALA 148 CO 0.00 0.00 0.00 -0.85 0.00 0.00 0.00 177.50 176.65 1wg3 n GLU 149 N -1.01 0.63 -3.21 0.00 0.00 -1.26 -4.56 120.64 111.23 1wg3 n GLU 149 Ca 0.00 0.14 -0.33 0.00 0.00 0.00 0.00 57.16 56.97 1wg3 n GLU 149 Cb 0.14 -1.75 -0.04 0.00 0.00 0.00 0.00 31.44 29.79 1wg3 n GLU 149 CO 0.00 0.00 0.00 1.63 0.00 0.00 0.00 177.13 178.76 1wg3 n LYS 150 N -2.78 3.38 -3.21 3.44 5.02 -0.51 -5.06 118.16 118.43 1wg3 n LYS 150 Ca -0.11 -4.65 -0.39 0.00 -2.02 0.00 0.00 58.31 51.14 1wg3 n LYS 150 Cb 0.81 -2.35 -0.06 0.00 -0.02 0.00 0.00 35.03 33.41 1wg3 n LYS 150 CO 0.00 0.00 0.00 -1.25 -0.52 0.00 0.00 177.40 175.63 1wg3 s PRO 151 N -2.75 4.28 -0.20 1.97 0.04 -1.26 -4.71 135.00 132.37 1wg3 s PRO 151 Ca 0.38 0.82 -0.06 0.00 0.04 0.00 0.00 61.00 62.17 1wg3 s PRO 151 Cb 0.13 -3.26 -0.03 0.00 0.04 0.00 0.00 34.50 31.38 1wg3 s PRO 151 CO 0.02 0.59 0.04 0.50 0.04 0.00 0.00 177.00 178.18 1wg3 s ARG 152 N -0.99 3.76 0.01 4.56 3.52 -0.67 -4.91 118.95 124.22 1wg3 s ARG 152 Ca 0.30 -0.45 0.00 0.00 -0.13 0.00 0.00 55.73 55.46 1wg3 s ARG 152 Cb -0.20 -3.17 -0.04 0.00 -1.56 0.00 0.00 34.95 29.98 1wg3 s ARG 152 CO 0.20 0.08 0.06 0.08 -0.81 0.00 0.00 175.30 174.91 1wg3 s VAL 153 N 0.87 4.58 -0.18 7.11 1.01 -1.26 0.69 120.40 133.21 1wg3 s VAL 153 Ca 0.02 -0.49 -0.04 0.00 0.00 0.00 0.00 61.98 61.47 1wg3 s VAL 153 Cb -0.14 -3.10 0.08 0.00 0.00 0.00 0.00 36.38 33.22 1wg3 s VAL 153 CO 0.02 0.33 0.19 -0.89 0.00 0.00 0.00 175.10 174.75 1wg3 s THR 154 N -1.19 -0.27 -0.01 3.92 2.01 0.15 -4.98 115.64 115.26 1wg3 s THR 154 Ca 0.23 -0.05 -0.13 0.00 0.31 0.00 0.00 61.69 62.04 1wg3 s THR 154 Cb -0.12 -0.60 -0.05 0.00 0.01 0.00 0.00 72.50 71.74 1wg3 s THR 154 CO 0.14 -0.16 0.37 -0.13 -0.69 0.00 0.00 174.62 174.15 1wg3 s ARG 155 N 2.29 3.84 0.48 4.92 0.52 -1.26 -1.41 118.95 128.33 1wg3 s ARG 155 Ca 0.05 0.33 0.04 0.00 -0.52 0.00 0.00 55.73 55.63 1wg3 s ARG 155 Cb -0.15 -3.21 -0.02 0.00 0.52 0.00 0.00 34.95 32.09 1wg3 s ARG 155 CO -0.11 0.70 0.11 -0.06 0.02 0.00 0.00 175.30 175.97 1wg3 s PHE 156 N -1.09 2.08 -0.67 -0.53 0.08 -0.71 -4.96 117.98 112.17 1wg3 s PHE 156 Ca 0.23 -0.81 0.05 0.00 0.12 0.00 0.00 56.93 56.52 1wg3 s PHE 156 Cb -0.16 -1.77 0.22 0.00 -0.57 0.00 0.00 43.02 40.74 1wg3 s PHE 156 CO 0.12 0.12 0.65 -1.71 -0.10 0.00 0.00 175.22 174.31 1wg3 n ASN 157 N -1.30 3.50 -4.89 1.36 2.85 -1.26 -4.88 115.26 110.64 1wg3 n ASN 157 Ca -0.10 -3.35 -0.29 0.00 -0.11 0.00 0.00 54.58 50.73 1wg3 n ASN 157 Cb 0.66 -0.72 0.01 0.00 1.24 0.00 0.00 39.78 40.97 1wg3 n ASN 157 CO 0.00 0.00 0.00 0.27 -2.11 0.00 0.00 177.26 175.42 1wg3 s ILE 158 N -2.07 4.76 -0.02 -1.44 -4.36 -1.26 -4.74 121.20 112.07 1wg3 s ILE 158 Ca 0.34 0.58 -0.19 0.00 -0.26 0.00 0.00 60.65 61.11 1wg3 s ILE 158 Cb 0.07 -3.86 -0.05 0.00 1.25 0.00 0.00 42.46 39.87 1wg3 s ILE 158 CO -0.08 -1.01 0.54 -0.69 0.24 0.00 0.00 174.94 173.94 1wg3 s VAL 159 N -3.00 4.97 0.00 8.37 1.01 -1.26 -4.69 120.40 125.81 1wg3 s VAL 159 Ca 0.52 1.12 0.00 0.00 0.00 0.00 0.00 61.98 63.62 1wg3 s VAL 159 Cb -0.11 -3.87 0.00 0.00 0.00 0.00 0.00 36.38 32.40 1wg3 s VAL 159 CO 0.50 0.43 0.00 0.79 0.00 0.00 0.00 175.10 176.82 1wg3 n TRP 160 N 2.72 0.00 0.00 5.22 7.02 -1.26 -4.99 117.44 126.15 1wg3 n TRP 160 Ca -0.08 0.00 0.00 0.00 -1.02 0.00 0.00 57.50 56.40 1wg3 n TRP 160 Cb 0.51 0.00 0.00 0.00 -2.42 0.00 0.00 31.31 29.40 1wg3 n TRP 160 CO 0.00 0.00 0.00 -0.25 -2.02 0.00 0.00 177.69 175.42 1wg3 n ASP 161 N 0.00 0.00 -4.63 -0.99 8.00 -1.26 -4.92 116.55 112.75 1wg3 n ASP 161 Ca 0.00 0.00 -0.40 0.00 0.71 0.00 0.00 54.79 55.10 1wg3 n ASP 161 Cb 0.00 0.00 0.03 0.00 -0.02 0.00 0.00 41.12 41.13 1wg3 n ASP 161 CO 0.00 0.00 0.00 -3.20 -0.39 0.00 0.00 177.20 173.61 1wg3 n ASN 162 N 0.00 1.29 0.00 -2.24 2.85 -1.26 -4.77 115.26 111.13 1wg3 n ASN 162 Ca 0.00 0.95 0.00 0.00 -0.11 0.00 0.00 54.58 55.42 1wg3 n ASN 162 Cb 0.00 -1.40 0.00 0.00 1.24 0.00 0.00 39.78 39.62 1wg3 n ASN 162 CO 0.00 0.00 0.00 -1.84 -2.11 0.00 0.00 177.26 173.31 1wg3 n GLU 163 N -0.37 0.00 -2.11 1.20 0.28 -1.26 -5.00 120.64 113.38 1wg3 n GLU 163 Ca 0.11 0.00 -0.05 0.00 -0.16 0.00 0.00 57.16 57.06 1wg3 n GLU 163 Cb 0.43 0.00 0.02 0.00 1.43 0.00 0.00 31.44 33.32 1wg3 n GLU 163 CO 0.00 0.00 0.00 0.09 -0.16 0.00 0.00 177.13 177.06 1wg3 n ASN 164 N 0.00 -3.35 0.00 -1.84 5.03 -1.26 -4.84 115.26 108.99 1wg3 n ASN 164 Ca 0.00 -0.23 0.00 0.00 0.87 0.00 0.00 54.58 55.22 1wg3 n ASN 164 Cb 0.00 -2.03 0.00 0.00 -1.02 0.00 0.00 39.78 36.73 1wg3 n ASN 164 CO 0.00 0.00 0.00 -0.62 -1.83 0.00 0.00 177.26 174.81 1wg3 n GLU 165 N -2.06 0.00 -3.87 3.52 -0.58 -1.26 -3.72 120.64 112.67 1wg3 n GLU 165 Ca -0.03 0.00 -0.20 0.00 -0.42 0.00 0.00 57.16 56.51 1wg3 n GLU 165 Cb 0.54 0.00 -0.17 0.00 -0.57 0.00 0.00 31.44 31.24 1wg3 n GLU 165 CO 0.00 0.00 0.00 0.20 -0.48 0.00 0.00 177.13 176.85 1wg3 s GLY 166 N -2.12 0.35 0.00 0.62 0.00 -1.26 -5.27 107.32 99.63 1wg3 s GLY 166 Ca 0.00 0.03 0.00 0.00 0.00 0.00 0.00 44.72 44.75 1wg3 s GLY 166 CO 0.00 0.88 0.00 1.22 0.00 0.00 0.00 173.10 175.20