#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1wg6 s SER 2 N 0.00 -0.21 -0.24 1.61 0.15 -1.26 -5.18 113.70 108.57 1wg6 s SER 2 Ca 0.00 0.32 -0.29 0.00 0.70 0.00 0.00 55.95 56.68 1wg6 s SER 2 Cb 0.00 0.29 0.16 0.00 -1.71 0.00 0.00 66.02 64.77 1wg6 s SER 2 CO 0.00 -0.13 1.20 -0.44 1.20 0.00 0.00 173.24 175.07 1wg6 s SER 3 N -0.49 -0.20 0.00 5.45 0.01 -1.26 -5.19 113.70 112.02 1wg6 s SER 3 Ca 0.05 0.25 0.00 0.00 1.31 0.00 0.00 55.95 57.55 1wg6 s SER 3 Cb -0.03 0.21 0.00 0.00 0.21 0.00 0.00 66.02 66.41 1wg6 s SER 3 CO -0.07 -0.16 0.00 0.61 0.41 0.00 0.00 173.24 174.03 1wg6 n GLY 4 N 0.83 -1.34 3.42 3.44 0.00 -1.26 -5.07 105.19 105.22 1wg6 n GLY 4 Ca -0.06 -0.96 -0.45 0.00 0.00 0.00 0.00 46.02 44.55 1wg6 n GLY 4 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 1wg6 s SER 5 N -2.23 6.95 -0.19 1.61 0.15 -1.26 -4.92 113.70 113.82 1wg6 s SER 5 Ca 0.00 -2.78 -0.32 0.00 0.70 0.00 0.00 55.95 53.54 1wg6 s SER 5 Cb 0.00 -2.34 0.14 0.00 -1.71 0.00 0.00 66.02 62.11 1wg6 s SER 5 CO 0.00 -0.73 1.17 -0.94 1.20 0.00 0.00 173.24 173.93 1wg6 s SER 6 N 2.71 -0.18 -0.39 5.45 1.04 -1.26 -5.13 113.70 115.93 1wg6 s SER 6 Ca 0.34 0.08 0.06 0.00 0.48 0.00 0.00 55.95 56.91 1wg6 s SER 6 Cb -0.06 0.17 0.18 0.00 0.10 0.00 0.00 66.02 66.42 1wg6 s SER 6 CO -0.05 -0.25 0.68 -0.83 0.98 0.00 0.00 173.24 173.76 1wg6 s GLY 7 N -1.77 -1.29 0.10 7.32 0.00 -1.26 -5.01 107.32 105.40 1wg6 s GLY 7 Ca 0.07 0.45 0.00 0.00 0.00 0.00 0.00 44.72 45.23 1wg6 s GLY 7 CO -0.05 3.75 0.00 -0.10 0.00 0.00 0.00 173.10 176.70 1wg6 n LEU 8 N 4.46 -0.92 -2.34 0.66 -0.00 -1.26 -5.03 117.00 112.56 1wg6 n LEU 8 Ca 0.10 0.31 -0.04 0.00 -0.00 0.00 0.00 56.01 56.38 1wg6 n LEU 8 Cb 0.57 1.10 -0.03 0.00 -0.00 0.00 0.00 43.42 45.06 1wg6 n LEU 8 CO -0.01 -0.07 -0.53 0.29 -0.00 0.00 0.00 177.39 177.07 1wg6 n LYS 9 N -2.52 -3.95 0.00 1.96 5.02 -1.26 -4.95 118.16 112.46 1wg6 n LYS 9 Ca 0.00 3.03 0.00 0.00 -2.02 0.00 0.00 58.31 59.32 1wg6 n LYS 9 Cb 0.00 -4.30 0.00 0.00 -0.02 0.00 0.00 35.03 30.71 1wg6 n LYS 9 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 1wg6 n GLY 10 N 1.44 1.90 3.68 0.72 0.00 -1.26 -5.11 105.19 106.56 1wg6 n GLY 10 Ca -0.28 -2.07 -0.24 0.00 0.00 0.00 0.00 46.02 43.43 1wg6 n GLY 10 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 1wg6 s GLU 11 N -1.51 2.43 -0.08 1.61 2.02 -1.26 -5.06 118.70 116.85 1wg6 s GLU 11 Ca 0.00 -1.22 -0.27 0.00 0.02 0.00 0.00 54.97 53.49 1wg6 s GLU 11 Cb 0.00 -2.31 -0.23 0.00 0.10 0.00 0.00 34.13 31.69 1wg6 s GLU 11 CO 0.00 0.41 1.00 -1.00 0.02 0.00 0.00 175.26 175.69 1wg6 h PRO 12 N 2.22 -0.00 -4.02 0.39 0.13 -2.04 -3.50 132.00 125.17 1wg6 h PRO 12 Ca -0.46 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.67 1wg6 h PRO 12 Cb 1.23 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.36 1wg6 h PRO 12 CO 0.59 0.74 -0.81 -0.25 -0.23 0.00 0.00 178.00 178.04 1wg6 n ASP 13 N -4.73 -8.07 -4.67 1.44 8.00 -1.26 -5.03 116.55 102.23 1wg6 n ASP 13 Ca -0.09 1.34 -0.26 0.00 0.71 0.00 0.00 54.79 56.48 1wg6 n ASP 13 Cb 0.37 -4.47 -0.07 0.00 -0.02 0.00 0.00 41.12 36.93 1wg6 n ASP 13 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 1wg6 s TYR 15 N -1.77 2.67 1.14 0.00 5.04 -1.26 -5.12 117.35 118.05 1wg6 s TYR 15 Ca 0.28 -0.19 -0.17 0.00 -2.44 0.00 0.00 57.07 54.55 1wg6 s TYR 15 Cb -0.09 -1.44 0.22 0.00 0.35 0.00 0.00 41.96 41.00 1wg6 s TYR 15 CO 0.19 0.37 0.46 0.00 -1.34 0.00 0.00 175.55 175.23 1wg6 n ALA 16 N 1.02 -2.19 -0.46 3.97 0.00 -1.26 -4.73 120.51 116.86 1wg6 n ALA 16 Ca -0.15 -1.29 0.02 0.00 0.00 0.00 0.00 53.44 52.03 1wg6 n ALA 16 Cb 0.52 -1.14 -0.01 0.00 0.00 0.00 0.00 19.45 18.82 1wg6 n ALA 16 CO 0.00 0.00 0.00 1.28 0.00 0.00 0.00 177.50 178.78 1wg6 n LEU 17 N -2.55 0.00 -3.63 0.00 4.77 -1.26 -4.95 117.00 109.39 1wg6 n LEU 17 Ca 0.07 0.18 -0.10 0.00 -0.03 0.00 0.00 56.01 56.13 1wg6 n LEU 17 Cb 0.44 -0.59 -0.04 0.00 -2.33 0.00 0.00 43.42 40.90 1wg6 n LEU 17 CO 0.32 -0.77 0.17 -0.55 -1.33 0.00 0.00 177.39 175.23 1wg6 s SER 18 N -3.87 -0.25 -0.49 -1.43 0.15 -1.26 -5.03 113.70 101.52 1wg6 s SER 18 Ca 0.00 -0.31 -0.00 0.00 0.70 0.00 0.00 55.95 56.34 1wg6 s SER 18 Cb 0.00 0.48 0.40 0.00 -1.71 0.00 0.00 66.02 65.19 1wg6 s SER 18 CO 0.00 -0.86 1.96 0.18 1.20 0.00 0.00 173.24 175.72 1wg6 n LEU 19 N -0.23 6.91 0.00 3.45 4.77 -1.26 -5.02 117.00 125.61 1wg6 n LEU 19 Ca -0.16 -3.71 0.00 0.00 -0.03 0.00 0.00 56.01 52.11 1wg6 n LEU 19 Cb 0.64 -0.95 0.00 0.00 -2.33 0.00 0.00 43.42 40.78 1wg6 n LEU 19 CO 0.17 1.26 0.00 -1.84 -1.33 0.00 0.00 177.39 175.65 1wg6 n GLU 20 N -0.51 0.00 -2.66 3.23 0.28 -1.26 -4.41 120.64 115.32 1wg6 n GLU 20 Ca 0.49 0.00 -0.42 0.00 -0.16 0.00 0.00 57.16 57.07 1wg6 n GLU 20 Cb 0.83 0.00 -0.03 0.00 1.43 0.00 0.00 31.44 33.67 1wg6 n GLU 20 CO 0.00 0.00 0.00 0.45 -0.16 0.00 0.00 177.13 177.42 1wg6 s SER 21 N -4.00 7.31 1.21 -1.84 0.15 -1.26 -5.03 113.70 110.24 1wg6 s SER 21 Ca 0.00 1.71 -0.18 0.00 0.70 0.00 0.00 55.95 58.17 1wg6 s SER 21 Cb 0.00 -2.57 0.29 0.00 -1.71 0.00 0.00 66.02 62.03 1wg6 s SER 21 CO 0.00 -0.31 1.07 -0.44 1.20 0.00 0.00 173.24 174.76 1wg6 s SER 22 N 1.03 0.84 -0.19 5.45 0.01 -1.26 -4.97 113.70 114.60 1wg6 s SER 22 Ca 0.53 0.80 -0.22 0.00 1.31 0.00 0.00 55.95 58.36 1wg6 s SER 22 Cb -0.22 -1.16 -0.02 0.00 0.21 0.00 0.00 66.02 64.83 1wg6 s SER 22 CO 0.27 -4.19 0.71 -1.61 0.41 0.00 0.00 173.24 168.83 1wg6 s GLU 23 N -5.23 4.24 0.03 12.44 2.02 -0.52 -4.95 118.70 126.72 1wg6 s GLU 23 Ca 0.70 0.77 0.04 0.00 0.02 0.00 0.00 54.97 56.49 1wg6 s GLU 23 Cb -0.13 -3.58 -0.02 0.00 0.10 0.00 0.00 34.13 30.51 1wg6 s GLU 23 CO 0.57 -0.28 -0.12 -1.14 0.02 0.00 0.00 175.26 174.31 1wg6 s GLN 24 N 2.04 0.83 -0.02 1.61 0.74 -1.26 0.84 119.66 124.43 1wg6 s GLN 24 Ca 0.32 -0.66 0.00 0.00 0.05 0.00 0.00 55.36 55.08 1wg6 s GLN 24 Cb -0.16 -0.80 0.03 0.00 1.10 0.00 0.00 33.01 33.18 1wg6 s GLN 24 CO 0.11 0.20 0.03 -0.51 -0.55 0.00 0.00 175.29 174.56 1wg6 s LEU 25 N -0.98 1.14 -0.40 3.68 1.43 -0.88 -4.99 118.68 117.67 1wg6 s LEU 25 Ca 0.00 0.04 -0.06 0.00 -1.03 0.00 0.00 54.13 53.08 1wg6 s LEU 25 Cb -0.07 -0.07 0.09 0.00 0.03 0.00 0.00 46.19 46.17 1wg6 s LEU 25 CO 0.01 -0.12 0.20 -0.89 0.23 0.00 0.00 176.35 175.78 1wg6 s THR 26 N 1.00 3.66 -0.25 5.49 2.01 -1.26 -1.87 115.64 124.43 1wg6 s THR 26 Ca -0.08 -1.69 -0.06 0.00 0.31 0.00 0.00 61.69 60.16 1wg6 s THR 26 Cb -0.12 -3.34 -0.02 0.00 0.01 0.00 0.00 72.50 69.03 1wg6 s THR 26 CO -0.03 -0.54 0.04 -0.76 -0.69 0.00 0.00 174.62 172.64 1wg6 s LEU 27 N 1.28 3.33 -0.01 4.42 2.01 -0.88 -4.94 118.68 123.90 1wg6 s LEU 27 Ca 0.04 -0.31 -0.12 0.00 0.01 0.00 0.00 54.13 53.75 1wg6 s LEU 27 Cb -0.23 -1.87 -0.05 0.00 0.01 0.00 0.00 46.19 44.05 1wg6 s LEU 27 CO -0.01 -0.05 0.35 -1.61 1.01 0.00 0.00 176.35 176.04 1wg6 s GLU 28 N 1.56 3.78 -0.08 1.70 2.02 -1.26 -1.20 118.70 125.23 1wg6 s GLU 28 Ca 0.06 0.24 0.02 0.00 0.02 0.00 0.00 54.97 55.30 1wg6 s GLU 28 Cb -0.15 -3.16 0.02 0.00 0.10 0.00 0.00 34.13 30.93 1wg6 s GLU 28 CO 0.02 0.68 -0.11 0.42 0.02 0.00 0.00 175.26 176.29 1wg6 s ILE 29 N -1.15 1.06 0.38 -1.63 1.01 0.39 -4.97 121.20 116.30 1wg6 s ILE 29 Ca 0.24 -0.41 -0.25 0.00 0.00 0.00 0.00 60.65 60.24 1wg6 s ILE 29 Cb -0.15 -1.00 -0.09 0.00 0.01 0.00 0.00 42.46 41.22 1wg6 s ILE 29 CO 0.13 0.35 1.06 -2.16 0.00 0.00 0.00 174.94 174.31 1wg6 s PRO 30 N 0.94 4.22 -0.27 2.79 0.04 -1.26 0.17 135.00 141.62 1wg6 s PRO 30 Ca -0.10 1.55 0.11 0.00 0.04 0.00 0.00 61.00 62.61 1wg6 s PRO 30 Cb -0.15 -2.62 0.46 0.00 0.04 0.00 0.00 34.50 32.23 1wg6 s PRO 30 CO 0.01 -0.10 1.18 1.28 0.04 0.00 0.00 177.00 179.40 1wg6 n LEU 31 N 0.08 3.98 0.15 -3.56 4.77 -0.92 -4.67 117.00 116.84 1wg6 n LEU 31 Ca 0.04 -4.27 -0.07 0.00 -0.03 0.00 0.00 56.01 51.69 1wg6 n LEU 31 Cb 0.49 -0.20 -0.03 0.00 -2.33 0.00 0.00 43.42 41.35 1wg6 n LEU 31 CO 0.46 1.80 0.25 0.78 -1.33 0.00 0.00 177.39 179.35 1wg6 h ASN 32 N 2.10 -0.37 0.51 -1.43 2.35 -1.93 0.54 115.58 117.35 1wg6 h ASN 32 Ca 0.22 0.01 -0.29 0.00 -0.55 0.00 0.00 56.30 55.70 1wg6 h ASN 32 Cb 1.44 0.09 -0.05 0.00 0.05 0.00 0.00 38.32 39.86 1wg6 h ASN 32 CO 0.56 -0.09 -1.66 -0.78 -1.65 0.00 0.00 177.43 173.80 1wg6 h ASP 33 N -0.78 0.03 0.51 5.81 3.58 -1.96 -3.34 116.42 120.28 1wg6 h ASP 33 Ca -0.04 -0.06 -0.20 0.00 0.42 0.00 0.00 57.03 57.14 1wg6 h ASP 33 Cb 0.33 -0.01 -0.01 0.00 1.72 0.00 0.00 39.33 41.36 1wg6 h ASP 33 CO 0.07 1.06 -0.87 -1.28 -2.88 0.00 0.00 179.24 175.34 1wg6 h SER 34 N 0.01 0.32 -0.88 2.28 0.87 -1.83 -3.25 113.55 111.06 1wg6 h SER 34 Ca -0.27 -0.25 0.34 0.00 -1.23 0.00 0.00 61.79 60.38 1wg6 h SER 34 Cb 2.00 -0.10 -0.16 0.00 -0.44 0.00 0.00 62.40 63.70 1wg6 h SER 34 CO 0.09 1.04 0.38 0.61 -0.53 0.00 0.00 176.83 178.41 1wg6 n GLY 35 N 0.84 -0.77 0.33 5.77 0.00 0.18 0.19 105.19 111.73 1wg6 n GLY 35 Ca -0.04 0.74 -0.09 0.00 0.00 0.00 0.00 46.02 46.64 1wg6 n GLY 35 CO 0.00 0.00 0.00 -1.26 0.00 0.00 0.00 173.32 172.06 1wg6 n SER 36 N -5.05 -0.83 -0.07 1.61 2.88 -1.23 -2.96 113.62 107.98 1wg6 n SER 36 Ca 0.31 1.61 -0.22 0.00 -1.33 0.00 0.00 58.87 59.24 1wg6 n SER 36 Cb 1.04 -0.29 -0.12 0.00 -0.75 0.00 0.00 64.21 64.08 1wg6 n SER 36 CO 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 175.04 173.81 1wg6 n ALA 37 N -3.20 1.01 0.00 -1.46 0.00 0.69 -5.11 120.51 112.44 1wg6 n ALA 37 Ca 0.02 -0.73 0.00 0.00 0.00 0.00 0.00 53.44 52.73 1wg6 n ALA 37 Cb 0.20 -0.44 0.00 0.00 0.00 0.00 0.00 19.45 19.22 1wg6 n ALA 37 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1wg6 n GLY 38 N 1.81 0.82 0.15 0.00 0.00 0.52 -4.91 105.19 103.58 1wg6 n GLY 38 Ca -0.38 -2.02 -0.04 0.00 0.00 0.00 0.00 46.02 43.58 1wg6 n GLY 38 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 1wg6 n LEU 39 N 0.00 -0.37 0.00 0.99 4.77 -1.26 -4.46 117.00 116.67 1wg6 n LEU 39 Ca 0.00 1.25 0.00 0.00 -0.03 0.00 0.00 56.01 57.23 1wg6 n LEU 39 Cb 0.00 -0.40 0.00 0.00 -2.33 0.00 0.00 43.42 40.69 1wg6 n LEU 39 CO 0.00 -0.82 0.00 0.61 -1.33 0.00 0.00 177.39 175.85 1wg6 n GLY 40 N -1.09 0.99 3.17 -0.72 0.00 -1.26 -3.82 105.19 102.46 1wg6 n GLY 40 Ca 0.01 0.00 -0.11 0.00 0.00 0.00 0.00 46.02 45.92 1wg6 n GLY 40 CO 0.00 0.00 0.00 -1.34 0.00 0.00 0.00 173.32 171.98 1wg6 s VAL 41 N -1.93 0.10 0.11 1.61 -7.23 -1.26 -4.10 120.40 107.69 1wg6 s VAL 41 Ca 0.00 -0.79 0.07 0.00 -1.81 0.00 0.00 61.98 59.45 1wg6 s VAL 41 Cb 0.00 -0.77 -0.04 0.00 0.56 0.00 0.00 36.38 36.13 1wg6 s VAL 41 CO 0.00 -0.44 -0.07 -0.55 -0.31 0.00 0.00 175.10 173.73 1wg6 s SER 42 N -1.84 4.56 0.39 4.85 0.15 -1.24 -5.06 113.70 115.51 1wg6 s SER 42 Ca -0.08 -0.35 0.08 0.00 0.70 0.00 0.00 55.95 56.29 1wg6 s SER 42 Cb -0.03 -0.92 -0.07 0.00 -1.71 0.00 0.00 66.02 63.29 1wg6 s SER 42 CO -0.02 0.16 0.02 -0.76 1.20 0.00 0.00 173.24 173.84 1wg6 s LEU 43 N -2.34 2.90 0.01 3.45 1.43 -1.26 -0.73 118.68 122.15 1wg6 s LEU 43 Ca 0.23 -1.23 0.05 0.00 -1.03 0.00 0.00 54.13 52.15 1wg6 s LEU 43 Cb -0.11 -1.07 -0.02 0.00 0.03 0.00 0.00 46.19 45.02 1wg6 s LEU 43 CO 0.15 -0.38 -0.16 -1.59 0.23 0.00 0.00 176.35 174.60 1wg6 s LYS 44 N -3.72 1.19 -0.04 1.70 -2.85 0.40 -4.61 119.74 111.81 1wg6 s LYS 44 Ca 0.35 -0.69 -0.14 0.00 -1.00 0.00 0.00 55.97 54.49 1wg6 s LYS 44 Cb 0.06 -1.19 -0.05 0.00 -2.06 0.00 0.00 37.83 34.58 1wg6 s LYS 44 CO 0.19 0.31 0.37 0.20 0.10 0.00 0.00 175.35 176.52 1wg6 s GLY 45 N -0.76 2.41 -0.09 0.59 0.00 -1.26 0.12 107.32 108.34 1wg6 s GLY 45 Ca 0.05 -0.28 0.03 0.00 0.00 0.00 0.00 44.72 44.52 1wg6 s GLY 45 CO 0.00 0.17 -0.19 -1.31 0.00 0.00 0.00 173.10 171.78 1wg6 s ASN 46 N -0.79 2.50 0.09 1.64 -0.87 -1.22 -4.97 114.94 111.32 1wg6 s ASN 46 Ca 0.22 -0.44 0.10 0.00 -1.57 0.00 0.00 52.86 51.17 1wg6 s ASN 46 Cb -0.16 -1.15 -0.03 0.00 -0.02 0.00 0.00 41.25 39.89 1wg6 s ASN 46 CO 0.11 0.10 -0.26 -0.75 -2.57 0.00 0.00 177.10 173.73 1wg6 s LYS 47 N 0.52 1.49 -0.10 -0.60 2.20 -1.26 -2.69 119.74 119.30 1wg6 s LYS 47 Ca -0.16 -1.22 -0.00 0.00 -0.36 0.00 0.00 55.97 54.23 1wg6 s LYS 47 Cb -0.17 -1.83 -0.02 0.00 -1.51 0.00 0.00 37.83 34.30 1wg6 s LYS 47 CO 0.06 0.45 -0.09 -1.12 -0.36 0.00 0.00 175.35 174.29 1wg6 s SER 48 N -1.72 4.42 -0.07 1.43 0.01 -0.88 -4.94 113.70 111.95 1wg6 s SER 48 Ca 0.12 -0.15 -0.05 0.00 1.31 0.00 0.00 55.95 57.18 1wg6 s SER 48 Cb -0.10 -1.38 -0.27 0.00 0.21 0.00 0.00 66.02 64.48 1wg6 s SER 48 CO 0.04 0.26 0.55 -0.09 0.41 0.00 0.00 173.24 174.42 1wg6 h ARG 49 N 5.98 0.27 0.01 12.44 2.43 -1.96 -1.92 114.38 131.63 1wg6 h ARG 49 Ca -0.38 -0.46 0.01 0.00 -0.81 0.00 0.00 59.98 58.34 1wg6 h ARG 49 Cb 1.18 0.17 -0.03 0.00 -0.42 0.00 0.00 29.97 30.87 1wg6 h ARG 49 CO 0.55 1.14 -0.32 1.49 -1.51 0.00 0.00 179.97 181.33 1wg6 h GLU 50 N 0.07 -0.40 -0.00 0.20 4.22 -1.98 -3.07 114.58 113.63 1wg6 h GLU 50 Ca -0.36 0.03 -0.20 0.00 0.08 0.00 0.00 59.36 58.90 1wg6 h GLU 50 Cb 2.05 0.09 0.02 0.00 0.50 0.00 0.00 28.75 31.40 1wg6 h GLU 50 CO 0.12 -0.27 -0.79 1.79 -2.18 0.00 0.00 179.01 177.68 1wg6 h THR 51 N -0.41 1.36 -1.07 0.32 1.35 -1.97 -3.48 112.91 109.01 1wg6 h THR 51 Ca 0.00 -2.15 0.00 0.00 -0.55 0.00 0.00 66.41 63.72 1wg6 h THR 51 Cb 0.44 2.50 0.00 0.00 -1.73 0.00 0.00 68.15 69.36 1wg6 h THR 51 CO -0.21 0.64 0.00 0.61 -0.25 0.00 0.00 175.52 176.32 1wg6 n GLY 52 N 1.07 0.61 3.27 5.82 0.00 -0.74 -4.87 105.19 110.35 1wg6 n GLY 52 Ca -0.11 -0.33 -0.10 0.00 0.00 0.00 0.00 46.02 45.48 1wg6 n GLY 52 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1wg6 s THR 53 N -2.34 0.06 -0.56 2.61 2.01 -1.11 -4.93 115.64 111.37 1wg6 s THR 53 Ca 0.00 -1.69 -0.22 0.00 0.31 0.00 0.00 61.69 60.09 1wg6 s THR 53 Cb 0.00 -2.07 0.06 0.00 0.01 0.00 0.00 72.50 70.50 1wg6 s THR 53 CO 0.00 -0.27 0.83 -1.81 -0.69 0.00 0.00 174.62 172.68 1wg6 s ASP 54 N -3.04 6.25 0.25 3.53 1.01 -1.26 -2.06 116.67 121.35 1wg6 s ASP 54 Ca 0.24 -0.76 -0.04 0.00 0.71 0.00 0.00 52.55 52.70 1wg6 s ASP 54 Cb 0.05 -2.37 0.50 0.00 1.01 0.00 0.00 42.92 42.11 1wg6 s ASP 54 CO 0.04 -1.16 1.67 -0.07 0.21 0.00 0.00 175.17 175.86 1wg6 h LEU 55 N 10.58 -0.03 0.00 1.23 3.38 -1.87 -3.48 115.31 125.12 1wg6 h LEU 55 Ca -0.27 0.16 0.00 0.00 0.09 0.00 0.00 57.88 57.86 1wg6 h LEU 55 Cb 1.08 0.23 0.00 0.00 0.09 0.00 0.00 40.66 42.06 1wg6 h LEU 55 CO 1.07 -0.07 0.00 0.61 0.09 0.00 0.00 178.44 180.14 1wg6 n GLY 56 N -1.37 0.09 3.35 0.83 0.00 -1.25 -4.84 105.19 102.01 1wg6 n GLY 56 Ca 0.15 -0.95 -0.29 0.00 0.00 0.00 0.00 46.02 44.93 1wg6 n GLY 56 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1wg6 s ILE 57 N -4.00 2.13 -0.05 -0.61 -1.09 -1.26 -3.46 121.20 112.86 1wg6 s ILE 57 Ca 0.00 -1.52 -0.01 0.00 -2.23 0.00 0.00 60.65 56.89 1wg6 s ILE 57 Cb 0.00 -1.85 0.03 0.00 -1.58 0.00 0.00 42.46 39.06 1wg6 s ILE 57 CO 0.00 0.23 0.01 -0.36 -1.23 0.00 0.00 174.94 173.60 1wg6 s PHE 58 N -0.92 0.39 0.37 3.97 0.40 0.12 -0.43 117.98 121.88 1wg6 s PHE 58 Ca 0.12 0.00 -0.23 0.00 -0.60 0.00 0.00 56.93 56.22 1wg6 s PHE 58 Cb -0.10 -0.57 -0.15 0.00 0.51 0.00 0.00 43.02 42.71 1wg6 s PHE 58 CO 0.04 -0.21 0.22 -0.89 0.70 0.00 0.00 175.22 175.08 1wg6 n ILE 59 N 4.75 1.03 -0.12 0.64 5.41 -0.90 0.15 119.36 130.32 1wg6 n ILE 59 Ca -0.14 -0.50 -0.23 0.00 1.00 0.00 0.00 62.75 62.88 1wg6 n ILE 59 Cb 0.50 -0.08 -0.08 0.00 -0.71 0.00 0.00 39.64 39.28 1wg6 n ILE 59 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 176.55 177.72 1wg6 n LYS 60 N 1.18 0.57 -3.59 0.38 4.81 0.09 0.19 118.16 121.79 1wg6 n LYS 60 Ca 0.12 0.24 -0.05 0.00 -0.87 0.00 0.00 58.31 57.76 1wg6 n LYS 60 Cb 0.37 -1.46 -0.03 0.00 0.02 0.00 0.00 35.03 33.93 1wg6 n LYS 60 CO 0.00 0.00 0.00 -1.54 1.17 0.00 0.00 177.40 177.03 1wg6 s SER 61 N -6.97 -0.17 -0.20 3.14 1.04 -1.17 -4.54 113.70 104.85 1wg6 s SER 61 Ca -0.35 0.05 -0.07 0.00 0.48 0.00 0.00 55.95 56.05 1wg6 s SER 61 Cb 0.11 0.16 -0.04 0.00 0.10 0.00 0.00 66.02 66.36 1wg6 s SER 61 CO 0.47 -0.25 0.06 -0.63 0.98 0.00 0.00 173.24 173.87 1wg6 s ILE 62 N -2.17 4.62 -0.39 -1.02 1.09 -1.26 -3.72 121.20 118.36 1wg6 s ILE 62 Ca 0.08 -0.09 -0.24 0.00 -1.10 0.00 0.00 60.65 59.30 1wg6 s ILE 62 Cb -0.01 -3.10 0.01 0.00 -1.06 0.00 0.00 42.46 38.31 1wg6 s ILE 62 CO -0.05 0.43 0.81 -0.63 -0.10 0.00 0.00 174.94 175.41 1wg6 s ILE 63 N 0.67 4.68 1.03 2.92 1.09 -1.26 -4.96 121.20 125.37 1wg6 s ILE 63 Ca 0.03 0.82 -0.12 0.00 -1.10 0.00 0.00 60.65 60.28 1wg6 s ILE 63 Cb -0.13 -4.27 0.21 0.00 -1.06 0.00 0.00 42.46 37.21 1wg6 s ILE 63 CO 0.02 -0.54 1.07 -1.00 -0.10 0.00 0.00 174.94 174.39 1wg6 s HIS 64 N 3.24 1.77 -1.15 3.97 3.76 -1.26 -3.52 115.29 122.10 1wg6 s HIS 64 Ca 0.32 1.26 0.00 0.00 -0.15 0.00 0.00 55.06 56.49 1wg6 s HIS 64 Cb -0.13 -3.18 0.00 0.00 1.11 0.00 0.00 32.58 30.39 1wg6 s HIS 64 CO 0.19 -3.17 0.00 0.41 -0.85 0.00 0.00 174.74 171.32 1wg6 n GLY 65 N -0.12 0.85 0.00 -2.22 0.00 -1.26 -4.94 105.19 97.51 1wg6 n GLY 65 Ca 0.06 -0.47 0.00 0.00 0.00 0.00 0.00 46.02 45.61 1wg6 n GLY 65 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1wg6 n GLY 66 N -1.40 5.27 0.12 -0.02 0.00 -1.23 -5.03 105.19 102.90 1wg6 n GLY 66 Ca -0.12 -1.82 -0.19 0.00 0.00 0.00 0.00 46.02 43.89 1wg6 n GLY 66 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1wg6 h ALA 67 N 1.00 0.13 -0.38 4.61 0.00 -1.85 -3.30 119.26 119.47 1wg6 h ALA 67 Ca 0.00 -1.02 -0.09 0.00 0.00 0.00 0.00 54.91 53.80 1wg6 h ALA 67 Cb 0.00 0.24 -0.02 0.00 0.00 0.00 0.00 17.79 18.01 1wg6 h ALA 67 CO 0.00 1.00 -0.14 0.00 0.00 0.00 0.00 179.25 180.11 1wg6 h ALA 68 N 0.37 1.05 -0.98 0.00 0.00 -1.84 -2.89 119.26 114.97 1wg6 h ALA 68 Ca -0.24 -0.31 0.40 0.00 0.00 0.00 0.00 54.91 54.75 1wg6 h ALA 68 Cb 2.06 -0.16 -0.18 0.00 0.00 0.00 0.00 17.79 19.51 1wg6 h ALA 68 CO 0.20 0.58 0.49 0.34 0.00 0.00 0.00 179.25 180.85 1wg6 n PHE 69 N -4.16 1.11 -0.18 0.00 7.35 -1.24 0.20 117.46 120.53 1wg6 n PHE 69 Ca 0.01 1.16 -0.01 0.00 -0.76 0.00 0.00 57.45 57.85 1wg6 n PHE 69 Cb 0.37 -1.54 0.08 0.00 0.35 0.00 0.00 39.48 38.74 1wg6 n PHE 69 CO 0.00 0.00 0.00 0.87 -0.76 0.00 0.00 176.76 176.87 1wg6 h LYS 70 N 0.00 0.28 0.00 -4.13 1.57 -1.69 0.80 116.57 113.40 1wg6 h LYS 70 Ca 0.82 -0.02 0.00 0.00 -1.87 0.00 0.00 60.65 59.58 1wg6 h LYS 70 Cb 2.13 -0.06 0.00 0.00 0.08 0.00 0.00 32.23 34.38 1wg6 h LYS 70 CO -0.77 0.19 -0.58 -3.47 -0.57 0.00 0.00 179.45 174.25 1wg6 n ASP 71 N -5.08 0.60 -0.39 0.86 2.03 0.52 -4.07 116.55 111.02 1wg6 n ASP 71 Ca 0.07 0.01 0.37 0.00 0.52 0.00 0.00 54.79 55.76 1wg6 n ASP 71 Cb 0.26 0.18 0.59 0.00 -0.72 0.00 0.00 41.12 41.43 1wg6 n ASP 71 CO 0.00 0.00 0.00 1.23 -1.92 0.00 0.00 177.20 176.51 1wg6 h GLY 72 N 4.69 0.00 -1.64 0.27 0.00 0.44 0.19 103.07 107.02 1wg6 h GLY 72 Ca 0.00 0.00 0.48 0.00 0.00 0.00 0.00 47.33 47.81 1wg6 h GLY 72 CO 0.00 0.00 1.33 -0.96 0.00 0.00 0.00 176.54 176.91 1wg6 n ARG 73 N -3.51 0.00 -0.31 4.80 1.85 -1.25 -4.32 116.66 113.92 1wg6 n ARG 73 Ca 0.31 1.04 -0.17 0.00 -1.00 0.00 0.00 57.85 58.02 1wg6 n ARG 73 Cb 1.70 -2.46 0.16 0.00 -1.05 0.00 0.00 32.46 30.81 1wg6 n ARG 73 CO 0.00 0.00 0.00 1.28 -0.01 0.00 0.00 177.63 178.90 1wg6 n LEU 74 N -3.65 0.00 -3.97 2.89 4.77 0.66 -5.05 117.00 112.65 1wg6 n LEU 74 Ca 0.37 -0.56 -0.22 0.00 -0.03 0.00 0.00 56.01 55.57 1wg6 n LEU 74 Cb 1.82 -0.57 -0.16 0.00 -2.33 0.00 0.00 43.42 42.18 1wg6 n LEU 74 CO 0.37 -2.05 -0.44 -0.13 -1.33 0.00 0.00 177.39 173.82 1wg6 s ARG 75 N -4.28 1.15 0.99 3.23 1.81 -1.26 -5.00 118.95 115.59 1wg6 s ARG 75 Ca 0.39 -0.27 -0.20 0.00 -1.72 0.00 0.00 55.73 53.93 1wg6 s ARG 75 Cb -0.06 -1.04 -0.02 0.00 -0.45 0.00 0.00 34.95 33.39 1wg6 s ARG 75 CO 0.32 0.02 -0.61 0.00 -0.68 0.00 0.00 175.30 174.35 1wg6 n MET 76 N 3.72 -0.89 -1.70 3.54 0.00 -1.26 -3.48 117.12 117.05 1wg6 n MET 76 Ca -0.22 -0.26 -0.11 0.00 0.00 0.00 0.00 57.70 57.11 1wg6 n MET 76 Cb 0.52 -1.30 -0.03 0.00 0.00 0.00 0.00 33.22 32.41 1wg6 n MET 76 CO 0.00 0.00 0.00 0.09 0.00 0.00 0.00 175.97 176.06 1wg6 n ASN 77 N 1.01 -4.05 -4.47 3.17 3.02 0.52 -4.87 115.26 109.59 1wg6 n ASN 77 Ca 0.00 0.16 -0.43 0.00 -0.03 0.00 0.00 54.58 54.27 1wg6 n ASN 77 Cb 0.58 -2.85 -0.05 0.00 -0.61 0.00 0.00 39.78 36.85 1wg6 n ASN 77 CO 0.00 0.00 0.00 -1.81 -2.62 0.00 0.00 177.26 172.83 1wg6 s ASP 78 N -2.72 6.24 0.24 6.41 1.11 -1.23 -4.69 116.67 122.03 1wg6 s ASP 78 Ca 0.00 -0.81 -0.31 0.00 0.18 0.00 0.00 52.55 51.61 1wg6 s ASP 78 Cb 0.00 -2.39 -0.14 0.00 1.07 0.00 0.00 42.92 41.47 1wg6 s ASP 78 CO 0.00 -1.22 1.37 1.67 1.18 0.00 0.00 175.17 178.17 1wg6 n GLN 79 N 7.17 1.95 -3.23 8.23 7.27 -1.26 -2.12 117.38 135.38 1wg6 n GLN 79 Ca -0.03 0.69 -0.45 0.00 0.07 0.00 0.00 57.00 57.28 1wg6 n GLN 79 Cb 0.46 -2.33 -0.05 0.00 2.41 0.00 0.00 30.24 30.73 1wg6 n GLN 79 CO 0.00 0.00 0.00 -0.51 0.07 0.00 0.00 177.06 176.62 1wg6 s LEU 80 N 0.10 5.86 0.00 1.69 1.02 0.43 -3.63 118.68 124.16 1wg6 s LEU 80 Ca 0.68 -1.64 0.13 0.00 0.02 0.00 0.00 54.13 53.32 1wg6 s LEU 80 Cb -0.66 -2.25 0.48 0.00 0.02 0.00 0.00 46.19 43.77 1wg6 s LEU 80 CO 0.51 -0.96 1.35 2.30 0.02 0.00 0.00 176.35 179.57 1wg6 n ILE 81 N 5.37 0.27 0.00 -0.59 -5.35 -0.18 -4.23 119.36 114.65 1wg6 n ILE 81 Ca -0.12 -0.31 0.00 0.00 -0.27 0.00 0.00 62.75 62.05 1wg6 n ILE 81 Cb 0.41 0.18 0.00 0.00 -1.74 0.00 0.00 39.64 38.49 1wg6 n ILE 81 CO 0.00 0.00 0.00 0.00 -1.76 0.00 0.00 176.55 174.79 1wg6 n ALA 82 N 0.16 0.00 -3.32 -1.28 0.00 -1.24 -4.32 120.51 110.51 1wg6 n ALA 82 Ca 0.11 0.00 0.03 0.00 0.00 0.00 0.00 53.44 53.58 1wg6 n ALA 82 Cb 0.23 0.00 -0.03 0.00 0.00 0.00 0.00 19.45 19.65 1wg6 n ALA 82 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 177.50 178.04 1wg6 s VAL 83 N -2.00 -0.51 -0.24 0.00 0.11 0.74 -2.91 120.40 115.60 1wg6 s VAL 83 Ca 0.00 0.00 0.00 0.00 -2.93 0.00 0.00 61.98 59.05 1wg6 s VAL 83 Cb 0.00 -1.00 0.00 0.00 -1.53 0.00 0.00 36.38 33.85 1wg6 s VAL 83 CO 0.00 0.00 0.00 -3.20 -3.33 0.00 0.00 175.10 168.57 1wg6 n ASN 84 N 5.14 -4.67 0.00 3.54 2.85 -0.62 -1.21 115.26 120.29 1wg6 n ASN 84 Ca -0.08 0.05 0.00 0.00 -0.11 0.00 0.00 54.58 54.45 1wg6 n ASN 84 Cb 0.53 -2.36 0.00 0.00 1.24 0.00 0.00 39.78 39.18 1wg6 n ASN 84 CO 0.00 0.00 0.00 0.61 -2.11 0.00 0.00 177.26 175.76 1wg6 n GLY 85 N -0.85 1.64 3.73 8.20 0.00 -1.26 -4.94 105.19 111.70 1wg6 n GLY 85 Ca -0.02 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.59 1wg6 n GLY 85 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 1wg6 s GLU 86 N -0.86 4.55 0.72 1.61 2.12 -0.35 -5.04 118.70 121.45 1wg6 s GLU 86 Ca 0.00 1.20 -0.13 0.00 0.36 0.00 0.00 54.97 56.41 1wg6 s GLU 86 Cb 0.00 -3.40 0.03 0.00 0.26 0.00 0.00 34.13 31.01 1wg6 s GLU 86 CO 0.00 0.15 1.10 -0.08 -0.54 0.00 0.00 175.26 175.89 1wg6 s THR 87 N 0.36 3.28 0.00 -1.70 -1.32 -1.26 -0.19 115.64 114.81 1wg6 s THR 87 Ca 0.43 0.50 0.00 0.00 -1.21 0.00 0.00 61.69 61.42 1wg6 s THR 87 Cb -0.21 -3.01 0.00 0.00 -1.51 0.00 0.00 72.50 67.78 1wg6 s THR 87 CO 0.25 -0.46 0.00 0.18 -2.21 0.00 0.00 174.62 172.38 1wg6 n LEU 88 N -2.97 0.86 -0.26 9.08 4.77 -1.26 -4.68 117.00 122.54 1wg6 n LEU 88 Ca 0.10 0.00 0.06 0.00 -0.03 0.00 0.00 56.01 56.13 1wg6 n LEU 88 Cb 0.52 0.00 0.19 0.00 -2.33 0.00 0.00 43.42 41.81 1wg6 n LEU 88 CO 0.51 0.04 1.03 -0.07 -1.33 0.00 0.00 177.39 177.56 1wg6 h LEU 89 N 0.00 0.31 -2.25 2.23 3.38 -1.84 0.65 115.31 117.79 1wg6 h LEU 89 Ca 0.00 0.11 -0.00 0.00 0.09 0.00 0.00 57.88 58.08 1wg6 h LEU 89 Cb 0.62 0.08 -0.00 0.00 0.09 0.00 0.00 40.66 41.45 1wg6 h LEU 89 CO 0.00 0.11 -0.01 1.23 0.09 0.00 0.00 178.44 179.86 1wg6 h GLY 90 N 0.46 0.00 -0.33 0.83 0.00 -1.95 -3.42 103.07 98.66 1wg6 h GLY 90 Ca 0.42 0.00 -0.12 0.00 0.00 0.00 0.00 47.33 47.64 1wg6 h GLY 90 CO -0.40 0.00 0.04 0.28 0.00 0.00 0.00 176.54 176.45 1wg6 n LYS 91 N -4.11 0.36 -3.55 4.80 5.02 0.23 -5.10 118.16 115.80 1wg6 n LYS 91 Ca -0.03 -0.67 -0.22 0.00 -2.02 0.00 0.00 58.31 55.38 1wg6 n LYS 91 Cb 0.10 -0.18 -0.02 0.00 -0.02 0.00 0.00 35.03 34.91 1wg6 n LYS 91 CO 0.00 0.00 0.00 0.45 -0.52 0.00 0.00 177.40 177.33 1wg6 s SER 92 N -2.04 5.00 0.53 4.39 0.15 -1.26 -4.83 113.70 115.63 1wg6 s SER 92 Ca 0.17 -0.84 0.22 0.00 0.70 0.00 0.00 55.95 56.21 1wg6 s SER 92 Cb -0.01 -0.31 1.37 0.00 -1.71 0.00 0.00 66.02 65.36 1wg6 s SER 92 CO 0.11 -0.81 2.05 0.78 1.20 0.00 0.00 173.24 176.58 1wg6 h ASN 93 N 0.88 0.00 0.00 5.45 4.21 -1.91 0.26 115.58 124.47 1wg6 h ASN 93 Ca -0.39 0.00 0.00 0.00 1.21 0.00 0.00 56.30 57.12 1wg6 h ASN 93 Cb 1.28 0.00 0.00 0.00 -1.12 0.00 0.00 38.32 38.48 1wg6 h ASN 93 CO 0.55 0.00 0.00 1.57 -1.29 0.00 0.00 177.43 178.26 1wg6 n HIS 94 N -4.39 0.00 -0.34 1.19 -0.00 -1.26 -3.30 115.22 107.12 1wg6 n HIS 94 Ca 0.05 0.00 -0.11 0.00 -0.00 0.00 0.00 57.72 57.66 1wg6 n HIS 94 Cb 0.42 -0.43 -0.09 0.00 -0.00 0.00 0.00 29.99 29.90 1wg6 n HIS 94 CO 0.00 0.00 0.00 0.93 -0.00 0.00 0.00 176.34 177.27 1wg6 h GLU 95 N 0.00 -0.10 0.00 1.57 5.08 -1.93 0.45 114.58 119.64 1wg6 h GLU 95 Ca 0.00 0.01 0.00 0.00 -1.00 0.00 0.00 59.36 58.37 1wg6 h GLU 95 Cb 0.00 0.02 0.00 0.00 0.50 0.00 0.00 28.75 29.27 1wg6 h GLU 95 CO 0.00 -0.07 0.00 0.00 -1.00 0.00 0.00 179.01 177.94 1wg6 n ALA 96 N -3.22 -0.00 -0.32 3.43 0.00 0.89 0.14 120.51 121.44 1wg6 n ALA 96 Ca 0.01 0.00 0.15 0.00 0.00 0.00 0.00 53.44 53.60 1wg6 n ALA 96 Cb 0.29 0.47 0.34 0.00 0.00 0.00 0.00 19.45 20.55 1wg6 n ALA 96 CO 0.00 0.00 0.00 0.52 0.00 0.00 0.00 177.50 178.02 1wg6 h MET 97 N 0.00 0.40 -0.04 0.00 2.86 -1.31 1.12 114.93 117.97 1wg6 h MET 97 Ca 0.00 -0.02 -0.03 0.00 -2.06 0.00 0.00 59.70 57.59 1wg6 h MET 97 Cb 0.00 -0.09 -0.01 0.00 0.06 0.00 0.00 31.60 31.56 1wg6 h MET 97 CO 0.00 0.26 -0.11 1.05 1.06 0.00 0.00 176.91 179.18 1wg6 h GLU 98 N 0.41 0.05 0.03 1.72 -0.00 0.41 -2.22 114.58 114.99 1wg6 h GLU 98 Ca 0.60 -0.01 -0.28 0.00 -0.00 0.00 0.00 59.36 59.67 1wg6 h GLU 98 Cb 1.17 -0.01 0.02 0.00 -0.00 0.00 0.00 28.75 29.93 1wg6 h GLU 98 CO -0.54 0.17 -1.10 1.15 -0.00 0.00 0.00 179.01 178.69 1wg6 h THR 99 N 0.05 1.28 0.00 -1.06 2.02 0.99 -3.22 112.91 112.98 1wg6 h THR 99 Ca 0.01 -2.30 0.00 0.00 0.77 0.00 0.00 66.41 64.89 1wg6 h THR 99 Cb 0.23 2.46 0.00 0.00 -1.74 0.00 0.00 68.15 69.10 1wg6 h THR 99 CO 0.01 0.71 0.00 -0.11 0.37 0.00 0.00 175.52 176.50 1wg6 n LEU 100 N -3.84 0.00 -0.23 2.58 7.94 0.08 0.18 117.00 123.72 1wg6 n LEU 100 Ca -0.12 0.92 0.31 0.00 -1.11 0.00 0.00 56.01 56.01 1wg6 n LEU 100 Cb 0.91 -0.42 0.59 0.00 0.53 0.00 0.00 43.42 45.04 1wg6 n LEU 100 CO 0.57 -0.42 1.28 0.08 -1.11 0.00 0.00 177.39 177.79 1wg6 h ARG 101 N 0.00 0.00 0.04 1.96 0.11 -1.67 0.39 114.38 115.21 1wg6 h ARG 101 Ca 0.00 0.00 -0.00 0.00 0.10 0.00 0.00 59.98 60.08 1wg6 h ARG 101 Cb 0.00 0.00 0.00 0.00 1.11 0.00 0.00 29.97 31.08 1wg6 h ARG 101 CO 0.00 0.00 -0.02 -0.09 0.10 0.00 0.00 179.97 179.96 1wg6 h ARG 102 N 0.00 -0.05 0.00 0.08 2.43 -0.59 -3.23 114.38 113.02 1wg6 h ARG 102 Ca 0.50 0.00 0.00 0.00 -0.81 0.00 0.00 59.98 59.67 1wg6 h ARG 102 Cb 2.58 0.01 0.00 0.00 -0.42 0.00 0.00 29.97 32.14 1wg6 h ARG 102 CO -0.01 0.30 0.11 0.43 -1.51 0.00 0.00 179.97 179.29 1wg6 n SER 103 N -4.76 0.35 0.16 -3.80 7.64 0.47 0.27 113.62 113.95 1wg6 n SER 103 Ca -0.04 0.61 -0.09 0.00 1.01 0.00 0.00 58.87 60.37 1wg6 n SER 103 Cb 0.18 -0.63 -0.04 0.00 -1.01 0.00 0.00 64.21 62.70 1wg6 n SER 103 CO 0.00 0.00 0.00 0.24 -3.01 0.00 0.00 175.04 172.27 1wg6 h MET 104 N 0.00 -0.47 0.02 1.43 2.86 -0.89 -2.96 114.93 114.92 1wg6 h MET 104 Ca 0.00 0.03 -0.38 0.00 -2.06 0.00 0.00 59.70 57.29 1wg6 h MET 104 Cb 0.21 0.11 -0.06 0.00 0.06 0.00 0.00 31.60 31.92 1wg6 h MET 104 CO 0.00 -0.26 -2.39 0.43 1.06 0.00 0.00 176.91 175.74 1wg6 n SER 105 N -5.10 1.84 -0.28 1.22 7.64 -0.76 -1.89 113.62 116.28 1wg6 n SER 105 Ca -0.07 -0.07 -0.03 0.00 1.01 0.00 0.00 58.87 59.71 1wg6 n SER 105 Cb 0.22 -0.37 0.09 0.00 -1.01 0.00 0.00 64.21 63.14 1wg6 n SER 105 CO 0.00 0.00 0.00 -0.03 -3.01 0.00 0.00 175.04 172.00 1wg6 h MET 106 N 0.01 0.94 0.00 1.43 -1.53 0.36 1.84 114.93 117.98 1wg6 h MET 106 Ca -0.55 -0.06 -0.06 0.00 -3.44 0.00 0.00 59.70 55.60 1wg6 h MET 106 Cb 1.95 -0.21 -0.01 0.00 -0.55 0.00 0.00 31.60 32.77 1wg6 h MET 106 CO -0.05 0.62 -1.90 0.39 0.14 0.00 0.00 176.91 176.11 1wg6 n GLU 107 N -4.60 0.66 0.00 0.39 -0.58 -1.10 -4.10 120.64 111.30 1wg6 n GLU 107 Ca 0.08 -0.12 0.12 0.00 -0.42 0.00 0.00 57.16 56.83 1wg6 n GLU 107 Cb 0.07 -1.57 0.28 0.00 -0.57 0.00 0.00 31.44 29.65 1wg6 n GLU 107 CO 0.00 0.00 0.00 0.41 -0.48 0.00 0.00 177.13 177.06 1wg6 n GLY 108 N 1.32 -1.21 0.21 0.62 0.00 -0.79 -1.92 105.19 103.41 1wg6 n GLY 108 Ca -0.07 -0.34 -0.11 0.00 0.00 0.00 0.00 46.02 45.50 1wg6 n GLY 108 CO 0.00 0.00 0.00 3.45 0.00 0.00 0.00 173.32 176.77 1wg6 h ASN 109 N 0.10 0.65 0.09 1.61 7.08 0.27 0.73 115.58 126.11 1wg6 h ASN 109 Ca 0.00 -0.32 -0.37 0.00 -3.08 0.00 0.00 56.30 52.54 1wg6 h ASN 109 Cb 0.50 -0.17 -0.06 0.00 -2.08 0.00 0.00 38.32 36.51 1wg6 h ASN 109 CO 0.00 0.81 -2.26 2.30 -2.08 0.00 0.00 177.43 176.20 1wg6 n ILE 110 N -4.47 1.54 0.05 6.14 -0.00 -1.25 -4.51 119.36 116.86 1wg6 n ILE 110 Ca -0.01 -0.69 -0.10 0.00 -0.00 0.00 0.00 62.75 61.94 1wg6 n ILE 110 Cb 0.29 -1.18 -0.07 0.00 -0.00 0.00 0.00 39.64 38.68 1wg6 n ILE 110 CO 0.00 0.00 0.00 -0.09 -0.00 0.00 0.00 176.55 176.46 1wg6 h ARG 111 N 0.01 -0.21 0.00 6.28 9.65 -1.46 -3.48 114.38 125.18 1wg6 h ARG 111 Ca -0.50 0.01 0.00 0.00 -1.10 0.00 0.00 59.98 58.39 1wg6 h ARG 111 Cb 2.04 0.05 0.00 0.00 -1.39 0.00 0.00 29.97 30.66 1wg6 h ARG 111 CO 0.00 0.21 0.00 0.41 2.80 0.00 0.00 179.97 183.39 1wg6 n GLY 112 N 0.65 0.99 3.64 2.80 0.00 0.25 -4.99 105.19 108.53 1wg6 n GLY 112 Ca -0.07 -0.05 0.04 0.00 0.00 0.00 0.00 46.02 45.93 1wg6 n GLY 112 CO 0.00 0.00 0.00 -3.16 0.00 0.00 0.00 173.32 170.16 1wg6 s MET 113 N -0.12 0.06 0.16 1.61 0.23 -1.24 -2.16 119.30 117.83 1wg6 s MET 113 Ca 0.00 -0.03 0.06 0.00 -1.03 0.00 0.00 55.69 54.68 1wg6 s MET 113 Cb 0.00 0.02 -0.04 0.00 -1.53 0.00 0.00 34.83 33.28 1wg6 s MET 113 CO 0.00 -0.03 -0.12 -1.50 -2.03 0.00 0.00 175.02 171.34 1wg6 s ILE 114 N -2.05 1.34 0.10 3.16 2.07 0.44 -3.99 121.20 122.26 1wg6 s ILE 114 Ca 0.18 -2.03 0.09 0.00 -1.41 0.00 0.00 60.65 57.47 1wg6 s ILE 114 Cb 0.06 -1.83 -0.03 0.00 0.13 0.00 0.00 42.46 40.78 1wg6 s ILE 114 CO -0.06 -0.65 -0.22 -1.58 -1.91 0.00 0.00 174.94 170.52 1wg6 s GLN 115 N -3.52 1.20 -0.11 3.50 0.74 -1.26 0.15 119.66 120.35 1wg6 s GLN 115 Ca 0.17 -1.17 0.00 0.00 0.05 0.00 0.00 55.36 54.41 1wg6 s GLN 115 Cb 0.00 -1.50 0.02 0.00 1.10 0.00 0.00 33.01 32.64 1wg6 s GLN 115 CO 0.03 0.35 -0.10 -0.51 -0.55 0.00 0.00 175.29 174.51 1wg6 s LEU 116 N -1.85 1.39 -0.36 3.68 1.43 -0.34 -1.59 118.68 121.04 1wg6 s LEU 116 Ca 0.08 -0.35 -0.10 0.00 -1.03 0.00 0.00 54.13 52.73 1wg6 s LEU 116 Cb -0.10 -0.93 0.02 0.00 0.03 0.00 0.00 46.19 45.22 1wg6 s LEU 116 CO 0.04 -0.07 0.19 -0.69 0.23 0.00 0.00 176.35 176.04 1wg6 s VAL 117 N 1.46 4.52 0.11 -1.59 1.01 -1.14 -2.07 120.40 122.70 1wg6 s VAL 117 Ca 0.01 -0.77 0.04 0.00 0.00 0.00 0.00 61.98 61.25 1wg6 s VAL 117 Cb -0.13 -3.47 -0.04 0.00 0.00 0.00 0.00 36.38 32.74 1wg6 s VAL 117 CO -0.07 -0.16 0.12 0.27 0.00 0.00 0.00 175.10 175.27 1wg6 s ILE 118 N 1.56 4.62 -0.06 2.22 -5.25 -0.78 -1.01 121.20 122.49 1wg6 s ILE 118 Ca 0.02 -0.85 -0.01 0.00 -0.99 0.00 0.00 60.65 58.81 1wg6 s ILE 118 Cb -0.19 -3.29 0.03 0.00 2.95 0.00 0.00 42.46 41.97 1wg6 s ILE 118 CO 0.06 0.03 0.02 -0.22 -1.79 0.00 0.00 174.94 173.03 1wg6 s LEU 119 N -2.71 0.48 0.13 0.37 1.98 -1.24 -2.07 118.68 115.62 1wg6 s LEU 119 Ca 0.31 -0.05 0.09 0.00 -2.89 0.00 0.00 54.13 51.58 1wg6 s LEU 119 Cb -0.11 -0.37 -0.04 0.00 0.66 0.00 0.00 46.19 46.33 1wg6 s LEU 119 CO 0.23 -0.21 -0.15 -0.60 -1.89 0.00 0.00 176.35 173.74 1wg6 s ARG 120 N 2.02 1.90 0.48 1.98 3.52 0.25 -4.64 118.95 124.45 1wg6 s ARG 120 Ca 0.05 -1.17 0.02 0.00 -0.13 0.00 0.00 55.73 54.50 1wg6 s ARG 120 Cb -0.12 -2.16 -0.02 0.00 -1.56 0.00 0.00 34.95 31.09 1wg6 s ARG 120 CO -0.05 0.48 0.04 -0.98 -0.81 0.00 0.00 175.30 173.98 1wg6 s ARG 121 N -2.29 2.11 0.04 5.12 1.70 -1.26 -1.44 118.95 122.92 1wg6 s ARG 121 Ca 0.20 -2.33 -0.21 0.00 -0.47 0.00 0.00 55.73 52.92 1wg6 s ARG 121 Cb -0.10 -1.26 -0.11 0.00 -0.57 0.00 0.00 34.95 32.91 1wg6 s ARG 121 CO 0.12 -0.39 1.32 0.66 -1.08 0.00 0.00 175.30 175.93 1wg6 h SER 122 N 1.49 -0.72 0.00 -2.89 4.64 -2.00 -3.49 113.55 110.58 1wg6 h SER 122 Ca -0.41 0.04 0.00 0.00 -0.47 0.00 0.00 61.79 60.95 1wg6 h SER 122 Cb 1.30 0.21 0.00 0.00 -0.31 0.00 0.00 62.40 63.60 1wg6 h SER 122 CO 0.69 -0.43 0.00 0.61 -0.87 0.00 0.00 176.83 176.83 1wg6 n GLY 123 N -1.36 0.05 0.23 -0.77 0.00 -1.26 -4.86 105.19 97.21 1wg6 n GLY 123 Ca -0.08 -0.16 0.12 0.00 0.00 0.00 0.00 46.02 45.89 1wg6 n GLY 123 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1wg6 h PRO 124 N 0.00 0.00 0.00 1.61 0.13 -2.04 -3.47 132.00 128.23 1wg6 h PRO 124 Ca 0.00 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.13 1wg6 h PRO 124 Cb 0.00 0.00 0.00 0.00 0.13 0.00 0.00 31.00 31.13 1wg6 h PRO 124 CO 0.00 0.13 0.00 0.45 -0.23 0.00 0.00 178.00 178.35 1wg6 n SER 125 N -3.19 0.00 -4.00 1.44 2.88 -1.26 -4.46 113.62 105.03 1wg6 n SER 125 Ca 0.02 0.00 -0.31 0.00 -1.33 0.00 0.00 58.87 57.25 1wg6 n SER 125 Cb 0.47 0.00 -0.14 0.00 -0.75 0.00 0.00 64.21 63.79 1wg6 n SER 125 CO 0.00 0.00 0.00 -0.44 -1.23 0.00 0.00 175.04 173.37 1wg6 s SER 126 N -1.60 4.63 0.00 -3.46 0.01 -1.26 -5.17 113.70 106.85 1wg6 s SER 126 Ca 0.00 -2.48 0.00 0.00 1.31 0.00 0.00 55.95 54.78 1wg6 s SER 126 Cb 0.00 -1.64 0.00 0.00 0.21 0.00 0.00 66.02 64.59 1wg6 s SER 126 CO 0.00 -0.33 0.32 0.61 0.41 0.00 0.00 173.24 174.25