#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1x1w s GLN 2 N 0.00 4.21 -0.01 0.00 -0.21 -1.26 -5.05 119.66 117.33 1x1w s GLN 2 Ca 0.00 0.66 0.01 0.00 0.02 0.00 0.00 55.36 56.05 1x1w s GLN 2 Cb 0.00 -3.59 0.01 0.00 1.00 0.00 0.00 33.01 30.43 1x1w s GLN 2 CO 0.00 -0.28 -0.02 0.08 -2.12 0.00 0.00 175.29 172.95 1x1w s VAL 3 N 2.05 0.23 -0.19 1.09 1.01 -1.26 -4.47 120.40 118.86 1x1w s VAL 3 Ca 0.30 -0.05 -0.04 0.00 0.00 0.00 0.00 61.98 62.18 1x1w s VAL 3 Cb -0.16 -0.25 0.06 0.00 0.00 0.00 0.00 36.38 36.03 1x1w s VAL 3 CO 0.10 0.11 0.08 -0.63 0.00 0.00 0.00 175.10 174.76 1x1w s ILE 4 N 0.40 0.06 -0.01 2.22 1.01 -1.26 -5.03 121.20 118.59 1x1w s ILE 4 Ca -0.04 -0.30 0.01 0.00 0.00 0.00 0.00 60.65 60.32 1x1w s ILE 4 Cb -0.07 -0.71 0.02 0.00 0.01 0.00 0.00 42.46 41.71 1x1w s ILE 4 CO -0.01 -0.30 1.00 -0.46 0.00 0.00 0.00 174.94 175.17 1x1w n ASN 5 N 5.22 0.19 -4.98 3.58 6.94 -1.26 -4.78 115.26 120.17 1x1w n ASN 5 Ca -0.07 -2.06 -0.20 0.00 -0.02 0.00 0.00 54.58 52.23 1x1w n ASN 5 Cb 0.48 -0.21 -0.01 0.00 -2.36 0.00 0.00 39.78 37.68 1x1w n ASN 5 CO 0.00 0.00 0.00 0.42 -1.03 0.00 0.00 177.26 176.65 1x1w s THR 6 N -0.23 4.41 0.11 5.53 -4.23 -1.26 -0.65 115.64 119.32 1x1w s THR 6 Ca 0.03 -1.00 -0.29 0.00 -1.18 0.00 0.00 61.69 59.25 1x1w s THR 6 Cb 0.02 -3.54 -0.09 0.00 1.34 0.00 0.00 72.50 70.23 1x1w s THR 6 CO 0.00 -0.21 1.62 -0.26 -0.54 0.00 0.00 174.62 175.23 1x1w h PHE 7 N 0.98 -0.87 -0.35 3.99 0.04 -1.98 -0.22 116.94 118.52 1x1w h PHE 7 Ca -0.48 0.02 -0.16 0.00 2.80 0.00 0.00 57.97 60.15 1x1w h PHE 7 Cb 1.25 0.36 -0.01 0.00 2.20 0.00 0.00 35.95 39.76 1x1w h PHE 7 CO 0.43 -0.43 -0.42 -0.44 -0.60 0.00 0.00 178.31 176.85 1x1w h ASP 8 N -0.57 0.94 -0.29 2.17 3.32 -1.97 0.72 116.42 120.75 1x1w h ASP 8 Ca 0.02 -0.45 0.02 0.00 0.02 0.00 0.00 57.03 56.64 1x1w h ASP 8 Cb 0.58 -0.27 -0.02 0.00 0.22 0.00 0.00 39.33 39.84 1x1w h ASP 8 CO -0.17 1.23 0.14 1.23 -1.72 0.00 0.00 179.24 179.96 1x1w h GLY 9 N 0.80 0.39 1.46 2.75 0.00 -1.94 0.26 103.07 106.80 1x1w h GLY 9 Ca 0.05 -0.10 -0.24 0.00 0.00 0.00 0.00 47.33 47.04 1x1w h GLY 9 CO 0.10 0.08 -0.96 -2.08 0.00 0.00 0.00 176.54 173.68 1x1w h VAL 10 N 0.30 1.37 -0.26 4.60 2.07 -1.01 -1.63 116.25 121.69 1x1w h VAL 10 Ca 0.12 -2.39 -0.03 0.00 0.82 0.00 0.00 66.70 65.22 1x1w h VAL 10 Cb 0.04 2.40 -0.01 0.00 -1.52 0.00 0.00 31.29 32.20 1x1w h VAL 10 CO -0.08 0.72 0.04 0.00 0.02 0.00 0.00 177.57 178.27 1x1w h ALA 11 N 0.66 0.34 -0.43 1.67 0.00 -0.68 0.29 119.26 121.12 1x1w h ALA 11 Ca -0.09 -0.18 -0.00 0.00 0.00 0.00 0.00 54.91 54.63 1x1w h ALA 11 Cb 1.60 -0.10 -0.02 0.00 0.00 0.00 0.00 17.79 19.27 1x1w h ALA 11 CO 0.17 0.03 0.25 -0.44 0.00 0.00 0.00 179.25 179.26 1x1w h ASP 12 N 0.24 0.53 -0.05 0.00 3.32 -0.52 -1.35 116.42 118.59 1x1w h ASP 12 Ca 0.08 -0.07 0.01 0.00 0.02 0.00 0.00 57.03 57.07 1x1w h ASP 12 Cb 0.33 -0.13 -0.01 0.00 0.22 0.00 0.00 39.33 39.74 1x1w h ASP 12 CO 0.00 0.44 -0.01 0.22 -1.72 0.00 0.00 179.24 178.18 1x1w h TYR 13 N 0.57 -0.01 -0.50 4.55 5.03 -1.07 -2.79 116.97 122.76 1x1w h TYR 13 Ca 0.15 0.00 0.07 0.00 2.58 0.00 0.00 58.73 61.54 1x1w h TYR 13 Cb 0.02 0.01 -0.06 0.00 1.55 0.00 0.00 36.73 38.25 1x1w h TYR 13 CO -0.03 -0.01 0.15 -0.07 -1.32 0.00 0.00 178.16 176.88 1x1w h LEU 14 N 0.01 0.13 -1.81 2.82 3.38 -0.15 -0.85 115.31 118.84 1x1w h LEU 14 Ca 0.02 0.07 -0.01 0.00 0.09 0.00 0.00 57.88 58.05 1x1w h LEU 14 Cb 0.03 0.07 -0.01 0.00 0.09 0.00 0.00 40.66 40.84 1x1w h LEU 14 CO -0.04 0.10 0.01 0.00 0.09 0.00 0.00 178.44 178.60 1x1w n GLN 15 N -5.04 1.06 0.00 1.13 6.02 -0.53 -0.93 117.38 119.09 1x1w n GLN 15 Ca 0.05 -0.09 0.00 0.00 -0.01 0.00 0.00 57.00 56.95 1x1w n GLN 15 Cb 0.21 -1.16 0.00 0.00 1.02 0.00 0.00 30.24 30.31 1x1w n GLN 15 CO 0.00 0.00 0.00 2.41 -1.01 0.00 0.00 177.06 178.46 1x1w n THR 16 N 0.34 0.01 0.10 5.09 -1.04 -0.44 -4.86 114.28 113.48 1x1w n THR 16 Ca 0.02 0.00 0.07 0.00 -2.04 0.00 0.00 64.05 62.10 1x1w n THR 16 Cb 0.47 -0.79 0.14 0.00 -1.82 0.00 0.00 70.33 68.34 1x1w n THR 16 CO 0.00 0.00 0.00 -1.22 -0.64 0.00 0.00 175.07 173.21 1x1w n TYR 17 N -2.67 0.35 -4.31 -1.42 4.01 -0.51 -4.98 117.16 107.64 1x1w n TYR 17 Ca 0.00 -0.30 -0.36 0.00 -0.16 0.00 0.00 57.90 57.08 1x1w n TYR 17 Cb 0.14 -0.01 -0.06 0.00 -0.31 0.00 0.00 39.34 39.10 1x1w n TYR 17 CO 0.00 0.00 0.00 0.72 -0.46 0.00 0.00 176.86 177.12 1x1w n HIS 18 N 0.80 -1.45 -3.48 -0.72 8.25 -0.11 -4.88 115.22 113.63 1x1w n HIS 18 Ca 0.12 0.72 -0.10 0.00 -0.26 0.00 0.00 57.72 58.20 1x1w n HIS 18 Cb 0.43 -2.68 -0.02 0.00 1.12 0.00 0.00 29.99 28.84 1x1w n HIS 18 CO 0.00 0.00 0.00 -1.59 0.64 0.00 0.00 176.34 175.39 1x1w s LYS 19 N -7.07 1.10 0.38 -0.41 -2.85 -1.26 -5.08 119.74 104.55 1x1w s LYS 19 Ca 0.53 -0.42 -0.14 0.00 -1.00 0.00 0.00 55.97 54.94 1x1w s LYS 19 Cb -0.30 0.50 -0.08 0.00 -2.06 0.00 0.00 37.83 35.89 1x1w s LYS 19 CO 0.97 -0.48 0.80 -0.51 0.10 0.00 0.00 175.35 176.22 1x1w s LEU 20 N -2.65 3.92 0.92 2.77 1.43 -1.26 -4.11 118.68 119.71 1x1w s LEU 20 Ca 0.03 1.31 -0.12 0.00 -1.03 0.00 0.00 54.13 54.32 1x1w s LEU 20 Cb -0.01 -4.16 0.07 0.00 0.03 0.00 0.00 46.19 42.12 1x1w s LEU 20 CO -0.10 -0.33 0.69 -2.65 0.23 0.00 0.00 176.35 174.19 1x1w n PRO 21 N -0.84 -0.30 0.00 1.29 -0.02 -1.26 -4.84 135.00 129.04 1x1w n PRO 21 Ca 0.04 -0.03 0.08 0.00 -2.02 0.00 0.00 63.50 61.56 1x1w n PRO 21 Cb 0.54 -2.05 0.46 0.00 -0.02 0.00 0.00 33.50 32.42 1x1w n PRO 21 CO 0.00 0.00 0.00 -0.25 1.98 0.00 0.00 175.50 177.23 1x1w n ASP 22 N -2.31 0.00 -0.96 2.55 8.00 -1.26 -3.03 116.55 119.54 1x1w n ASP 22 Ca 0.09 -0.51 0.05 0.00 0.71 0.00 0.00 54.79 55.13 1x1w n ASP 22 Cb 0.53 0.00 0.20 0.00 -0.02 0.00 0.00 41.12 41.82 1x1w n ASP 22 CO 0.00 0.00 0.00 -0.46 -0.39 0.00 0.00 177.20 176.35 1x1w n ASN 23 N -0.99 2.76 -4.42 -2.24 6.94 -1.26 -4.86 115.26 111.19 1x1w n ASN 23 Ca 0.12 -2.21 -0.33 0.00 -0.02 0.00 0.00 54.58 52.14 1x1w n ASN 23 Cb 0.05 -0.41 -0.14 0.00 -2.36 0.00 0.00 39.78 36.93 1x1w n ASN 23 CO 0.00 0.00 0.00 -0.31 -1.03 0.00 0.00 177.26 175.92 1x1w s TYR 24 N -1.66 2.75 0.07 -2.53 2.02 -1.17 -0.59 117.35 116.24 1x1w s TYR 24 Ca 0.28 -0.41 0.05 0.00 -0.37 0.00 0.00 57.07 56.62 1x1w s TYR 24 Cb 0.18 -1.73 -0.03 0.00 -0.40 0.00 0.00 41.96 39.98 1x1w s TYR 24 CO 0.15 -0.02 -0.13 0.96 -1.57 0.00 0.00 175.55 174.94 1x1w s ILE 25 N -0.19 1.01 0.81 2.71 -0.00 0.24 -4.87 121.20 120.90 1x1w s ILE 25 Ca 0.00 -1.32 -0.12 0.00 -0.00 0.00 0.00 60.65 59.22 1x1w s ILE 25 Cb -0.13 -1.04 0.07 0.00 -0.00 0.00 0.00 42.46 41.36 1x1w s ILE 25 CO 0.03 -0.29 1.10 0.42 -0.00 0.00 0.00 174.94 176.20 1x1w s THR 26 N -1.44 2.93 0.26 8.37 -4.23 -1.19 -0.98 115.64 119.35 1x1w s THR 26 Ca -0.02 0.30 -0.03 0.00 -1.18 0.00 0.00 61.69 60.76 1x1w s THR 26 Cb -0.09 -3.07 0.27 0.00 1.34 0.00 0.00 72.50 70.95 1x1w s THR 26 CO 0.02 -0.40 1.89 0.11 -0.54 0.00 0.00 174.62 175.70 1x1w h LYS 27 N -1.11 1.17 0.32 3.99 1.57 -1.96 -0.50 116.57 120.04 1x1w h LYS 27 Ca -0.47 -0.07 -0.01 0.00 -1.87 0.00 0.00 60.65 58.22 1x1w h LYS 27 Cb 1.28 -0.26 -0.00 0.00 0.08 0.00 0.00 32.23 33.32 1x1w h LYS 27 CO 0.60 0.78 -0.17 0.77 -0.57 0.00 0.00 179.45 180.86 1x1w h SER 28 N 1.21 -0.41 -0.95 0.86 0.02 -1.99 0.62 113.55 112.91 1x1w h SER 28 Ca 0.42 0.02 0.07 0.00 -0.84 0.00 0.00 61.79 61.46 1x1w h SER 28 Cb 0.11 0.11 -0.06 0.00 0.14 0.00 0.00 62.40 62.70 1x1w h SER 28 CO -0.16 -0.28 0.62 -0.33 -1.14 0.00 0.00 176.83 175.54 1x1w h GLU 29 N -0.46 1.06 -0.25 3.45 5.08 -1.82 0.17 114.58 121.82 1x1w h GLU 29 Ca -0.04 -0.06 -0.14 0.00 -1.00 0.00 0.00 59.36 58.12 1x1w h GLU 29 Cb 0.36 -0.24 -0.01 0.00 0.50 0.00 0.00 28.75 29.36 1x1w h GLU 29 CO 0.06 0.70 -0.42 0.00 -1.00 0.00 0.00 179.01 178.35 1x1w h ALA 30 N 1.49 0.81 -0.33 3.43 0.00 -0.80 -2.59 119.26 121.26 1x1w h ALA 30 Ca 0.41 -0.45 -0.16 0.00 0.00 0.00 0.00 54.91 54.72 1x1w h ALA 30 Cb 0.19 -0.11 -0.01 0.00 0.00 0.00 0.00 17.79 17.87 1x1w h ALA 30 CO -0.16 0.65 -0.42 1.96 0.00 0.00 0.00 179.25 181.28 1x1w h GLN 31 N 0.49 0.83 0.00 0.00 4.20 0.42 0.64 115.11 121.68 1x1w h GLN 31 Ca 0.04 -0.45 -0.01 0.00 0.06 0.00 0.00 58.65 58.30 1x1w h GLN 31 Cb 0.93 0.02 -0.00 0.00 0.30 0.00 0.00 27.48 28.73 1x1w h GLN 31 CO 0.08 1.08 -0.02 0.00 -0.67 0.00 0.00 178.83 179.30 1x1w h ALA 32 N 0.85 1.07 -0.10 3.87 0.00 -0.63 -0.95 119.26 123.36 1x1w h ALA 32 Ca 0.05 -0.02 0.00 0.00 0.00 0.00 0.00 54.91 54.94 1x1w h ALA 32 Cb 0.99 -0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.78 1x1w h ALA 32 CO 0.10 0.03 0.00 1.28 0.00 0.00 0.00 179.25 180.66 1x1w n LEU 33 N -3.21 2.18 0.00 0.00 4.77 -0.92 -4.93 117.00 114.89 1x1w n LEU 33 Ca -0.02 -0.80 0.00 0.00 -0.03 0.00 0.00 56.01 55.16 1x1w n LEU 33 Cb 0.19 -0.06 0.00 0.00 -2.33 0.00 0.00 43.42 41.22 1x1w n LEU 33 CO 0.25 0.40 0.00 0.61 -1.33 0.00 0.00 177.39 177.32 1x1w n GLY 34 N 1.25 1.10 3.69 -0.72 0.00 -0.36 -4.73 105.19 105.42 1x1w n GLY 34 Ca 0.17 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.77 1x1w n GLY 34 CO 0.00 0.00 0.00 0.86 0.00 0.00 0.00 173.32 174.18 1x1w s TRP 35 N -2.00 3.36 -0.28 1.61 -0.00 0.17 -4.90 118.94 116.90 1x1w s TRP 35 Ca 0.00 1.39 0.02 0.00 -0.00 0.00 0.00 56.10 57.50 1x1w s TRP 35 Cb 0.00 -3.32 0.08 0.00 -0.00 0.00 0.00 33.47 30.23 1x1w s TRP 35 CO 0.00 -0.85 -0.00 0.08 -0.00 0.00 0.00 176.95 176.18 1x1w s VAL 36 N 1.94 1.71 0.27 5.86 1.01 -1.26 -4.48 120.40 125.46 1x1w s VAL 36 Ca 0.53 -1.63 -0.02 0.00 0.00 0.00 0.00 61.98 60.87 1x1w s VAL 36 Cb -0.23 -2.09 0.31 0.00 0.00 0.00 0.00 36.38 34.37 1x1w s VAL 36 CO 0.22 -0.33 1.63 0.00 0.00 0.00 0.00 175.10 176.62 1x1w h ALA 37 N 7.86 1.05 0.00 5.51 0.00 -1.99 -0.33 119.26 131.36 1x1w h ALA 37 Ca -0.13 0.25 0.00 0.00 0.00 0.00 0.00 54.91 55.02 1x1w h ALA 37 Cb 1.04 0.39 0.00 0.00 0.00 0.00 0.00 17.79 19.23 1x1w h ALA 37 CO 0.46 -0.46 0.00 -1.13 0.00 0.00 0.00 179.25 178.12 1x1w n SER 38 N -5.31 0.44 0.02 0.00 3.41 -1.26 -1.29 113.62 109.64 1x1w n SER 38 Ca 0.18 0.64 0.11 0.00 -0.26 0.00 0.00 58.87 59.54 1x1w n SER 38 Cb 0.60 -0.72 -0.03 0.00 -0.26 0.00 0.00 64.21 63.80 1x1w n SER 38 CO 0.00 0.00 0.00 0.29 -0.16 0.00 0.00 175.04 175.17 1x1w n LYS 39 N -2.02 0.36 -3.70 4.33 5.02 -0.15 -4.97 118.16 117.03 1x1w n LYS 39 Ca 0.01 -0.03 -0.25 0.00 -2.02 0.00 0.00 58.31 56.02 1x1w n LYS 39 Cb 0.14 -1.59 0.06 0.00 -0.02 0.00 0.00 35.03 33.62 1x1w n LYS 39 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 1x1w n GLY 40 N 1.34 -0.47 1.74 0.72 0.00 -0.41 -4.90 105.19 103.21 1x1w n GLY 40 Ca 0.01 0.20 -0.00 0.00 0.00 0.00 0.00 46.02 46.23 1x1w n GLY 40 CO 0.00 0.00 0.00 1.16 0.00 0.00 0.00 173.32 174.48 1x1w n ASN 41 N -2.98 4.76 -0.26 1.61 6.94 -1.26 -3.85 115.26 120.23 1x1w n ASN 41 Ca -0.06 -3.16 -0.00 0.00 -0.02 0.00 0.00 54.58 51.34 1x1w n ASN 41 Cb 0.58 -0.69 0.12 0.00 -2.36 0.00 0.00 39.78 37.43 1x1w n ASN 41 CO 0.00 0.00 0.00 0.25 -1.03 0.00 0.00 177.26 176.48 1x1w h LEU 42 N 2.74 0.61 0.00 -4.53 5.85 -1.89 -0.68 115.31 117.42 1x1w h LEU 42 Ca 0.15 0.03 0.00 0.00 0.84 0.00 0.00 57.88 58.91 1x1w h LEU 42 Cb 2.07 -0.09 0.00 0.00 0.37 0.00 0.00 40.66 43.01 1x1w h LEU 42 CO 0.57 0.38 0.00 0.00 -0.34 0.00 0.00 178.44 179.05 1x1w n ALA 43 N -2.36 1.43 -0.11 1.25 0.00 -1.26 -1.18 120.51 118.27 1x1w n ALA 43 Ca 0.10 -0.03 -0.20 0.00 0.00 0.00 0.00 53.44 53.31 1x1w n ALA 43 Cb 0.20 -1.11 -0.12 0.00 0.00 0.00 0.00 19.45 18.43 1x1w n ALA 43 CO 0.00 0.00 0.00 -0.25 0.00 0.00 0.00 177.50 177.25 1x1w n ASP 44 N -1.35 1.99 0.17 0.00 8.00 -0.28 -3.45 116.55 121.63 1x1w n ASP 44 Ca 0.03 -0.01 0.12 0.00 0.71 0.00 0.00 54.79 55.64 1x1w n ASP 44 Cb 0.06 -0.54 0.15 0.00 -0.02 0.00 0.00 41.12 40.77 1x1w n ASP 44 CO 0.00 0.00 0.00 -0.37 -0.39 0.00 0.00 177.20 176.44 1x1w h VAL 45 N -0.16 0.00 -1.31 2.53 -1.51 -1.24 -3.40 116.25 111.16 1x1w h VAL 45 Ca -0.57 -0.92 -0.31 0.00 -1.23 0.00 0.00 66.70 63.66 1x1w h VAL 45 Cb 1.86 1.77 -0.24 0.00 -2.13 0.00 0.00 31.29 32.56 1x1w h VAL 45 CO -0.12 0.00 -0.68 0.00 -1.23 0.00 0.00 177.57 175.55 1x1w n ALA 46 N -2.07 -0.17 -1.71 5.19 0.00 -0.33 -4.93 120.51 116.50 1x1w n ALA 46 Ca 0.03 -1.84 -0.43 0.00 0.00 0.00 0.00 53.44 51.20 1x1w n ALA 46 Cb 0.52 -1.21 -0.03 0.00 0.00 0.00 0.00 19.45 18.73 1x1w n ALA 46 CO 0.00 0.00 0.00 -2.30 0.00 0.00 0.00 177.50 175.20 1x1w n PRO 47 N 2.60 2.44 -0.96 0.00 -0.02 -1.22 -1.71 135.00 136.12 1x1w n PRO 47 Ca 0.20 0.87 0.00 0.00 -2.02 0.00 0.00 63.50 62.56 1x1w n PRO 47 Cb 0.55 -2.63 0.00 0.00 -0.02 0.00 0.00 33.50 31.40 1x1w n PRO 47 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 1x1w n GLY 48 N 2.68 0.73 3.94 -1.23 0.00 -1.26 -5.02 105.19 105.02 1x1w n GLY 48 Ca 0.12 0.00 -0.26 0.00 0.00 0.00 0.00 46.02 45.88 1x1w n GLY 48 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1x1w s LYS 49 N -0.16 3.42 0.11 1.61 -0.14 -0.69 -4.82 119.74 119.06 1x1w s LYS 49 Ca 0.00 -0.61 0.06 0.00 -1.36 0.00 0.00 55.97 54.06 1x1w s LYS 49 Cb 0.00 -2.95 -0.03 0.00 -1.68 0.00 0.00 37.83 33.16 1x1w s LYS 49 CO 0.00 0.52 -0.14 -1.12 -0.76 0.00 0.00 175.35 173.85 1x1w s SER 50 N -3.22 1.88 0.15 2.83 0.01 0.24 -4.84 113.70 110.75 1x1w s SER 50 Ca 0.34 -0.75 -0.30 0.00 1.31 0.00 0.00 55.95 56.55 1x1w s SER 50 Cb -0.11 -0.06 -0.07 0.00 0.21 0.00 0.00 66.02 65.99 1x1w s SER 50 CO 0.28 -0.13 1.10 -0.63 0.41 0.00 0.00 173.24 174.28 1x1w s ILE 51 N -1.90 3.94 -0.30 1.44 1.09 -1.26 -0.59 121.20 123.63 1x1w s ILE 51 Ca 0.06 1.62 -0.32 0.00 -1.10 0.00 0.00 60.65 60.91 1x1w s ILE 51 Cb -0.06 -4.04 0.19 0.00 -1.06 0.00 0.00 42.46 37.49 1x1w s ILE 51 CO 0.03 0.25 1.40 -0.83 -0.10 0.00 0.00 174.94 175.69 1x1w s GLY 52 N 0.08 0.03 0.00 6.18 0.00 -0.16 -0.94 107.32 112.52 1x1w s GLY 52 Ca 0.51 2.64 0.00 0.00 0.00 0.00 0.00 44.72 47.86 1x1w s GLY 52 CO 0.34 0.98 0.00 0.61 0.00 0.00 0.00 173.10 175.03 1x1w n GLY 53 N 0.35 0.34 3.80 0.20 0.00 -0.06 -3.20 105.19 106.62 1x1w n GLY 53 Ca 0.02 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.71 1x1w n GLY 53 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 1x1w s ASP 54 N -2.10 6.30 0.31 1.61 1.01 -1.23 -4.79 116.67 117.78 1x1w s ASP 54 Ca 0.00 1.92 -0.30 0.00 0.71 0.00 0.00 52.55 54.88 1x1w s ASP 54 Cb 0.00 -2.56 -0.11 0.00 1.01 0.00 0.00 42.92 41.26 1x1w s ASP 54 CO 0.00 -0.81 1.59 -0.63 0.21 0.00 0.00 175.17 175.53 1x1w s ILE 55 N -2.02 2.03 -0.27 0.77 1.09 -1.26 -1.79 121.20 119.75 1x1w s ILE 55 Ca 0.67 0.02 -0.05 0.00 -1.10 0.00 0.00 60.65 60.19 1x1w s ILE 55 Cb -0.16 -3.01 0.01 0.00 -1.06 0.00 0.00 42.46 38.23 1x1w s ILE 55 CO 0.21 0.00 0.03 0.12 -0.10 0.00 0.00 174.94 175.20 1x1w s PHE 56 N -0.18 3.10 -2.00 3.97 5.36 0.56 -4.75 117.98 124.05 1x1w s PHE 56 Ca 0.62 -1.12 0.26 0.00 -0.96 0.00 0.00 56.93 55.73 1x1w s PHE 56 Cb -0.48 -2.18 1.55 0.00 -0.34 0.00 0.00 43.02 41.57 1x1w s PHE 56 CO 0.51 -0.61 1.99 0.43 -1.46 0.00 0.00 175.22 176.08 1x1w n SER 57 N 4.80 0.00 -4.19 6.13 7.64 -1.26 -4.22 113.62 122.52 1x1w n SER 57 Ca -0.15 -1.15 -0.29 0.00 1.01 0.00 0.00 58.87 58.28 1x1w n SER 57 Cb 0.48 0.00 -0.07 0.00 -1.01 0.00 0.00 64.21 63.61 1x1w n SER 57 CO 0.00 0.00 0.00 -3.20 -3.01 0.00 0.00 175.04 168.83 1x1w n ASN 58 N -0.91 0.50 0.33 6.43 5.15 -1.26 -4.78 115.26 120.71 1x1w n ASN 58 Ca 0.20 -1.18 0.21 0.00 -0.60 0.00 0.00 54.58 53.20 1x1w n ASN 58 Cb 0.09 -2.10 1.15 0.00 -0.53 0.00 0.00 39.78 38.39 1x1w n ASN 58 CO 0.00 0.00 0.00 0.03 1.40 0.00 0.00 177.26 178.69 1x1w h ARG 59 N -1.80 0.00 -0.01 1.20 3.08 -2.00 0.26 114.38 115.11 1x1w h ARG 59 Ca -0.65 0.00 0.00 0.00 0.07 0.00 0.00 59.98 59.40 1x1w h ARG 59 Cb 1.39 0.00 0.00 0.00 0.08 0.00 0.00 29.97 31.44 1x1w h ARG 59 CO 0.68 0.00 -0.68 -1.91 -1.07 0.00 0.00 179.97 177.00 1x1w n GLU 60 N -3.22 0.73 -1.86 0.04 4.07 -1.26 -4.96 120.64 114.18 1x1w n GLU 60 Ca -0.03 -0.61 -0.16 0.00 -0.06 0.00 0.00 57.16 56.30 1x1w n GLU 60 Cb 0.08 -1.49 -0.04 0.00 -0.06 0.00 0.00 31.44 29.94 1x1w n GLU 60 CO 0.00 0.00 0.00 0.41 -0.06 0.00 0.00 177.13 177.48 1x1w n GLY 61 N 1.45 0.74 0.17 8.31 0.00 0.08 -4.89 105.19 111.05 1x1w n GLY 61 Ca 0.07 -0.23 0.03 0.00 0.00 0.00 0.00 46.02 45.89 1x1w n GLY 61 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 1x1w h LYS 62 N 0.00 0.00 -6.05 1.61 1.79 -1.93 -3.44 116.57 108.55 1x1w h LYS 62 Ca -0.36 0.00 -0.60 0.00 -2.18 0.00 0.00 60.65 57.51 1x1w h LYS 62 Cb 1.17 0.00 -0.04 0.00 -1.58 0.00 0.00 32.23 31.77 1x1w h LYS 62 CO 0.47 0.47 -0.32 -0.51 -1.08 0.00 0.00 179.45 178.49 1x1w s LEU 63 N -7.43 4.33 -0.02 2.94 1.43 -1.26 -5.02 118.68 113.66 1x1w s LEU 63 Ca -0.01 0.64 -0.32 0.00 -1.03 0.00 0.00 54.13 53.41 1x1w s LEU 63 Cb 0.12 -2.97 -0.11 0.00 0.03 0.00 0.00 46.19 43.26 1x1w s LEU 63 CO 0.72 0.17 1.91 -0.81 0.23 0.00 0.00 176.35 178.57 1x1w n PRO 64 N 0.73 2.50 -3.69 1.29 -0.04 -1.26 -4.98 135.00 129.55 1x1w n PRO 64 Ca -0.07 0.92 -0.27 0.00 -0.04 0.00 0.00 63.50 64.03 1x1w n PRO 64 Cb 0.52 -2.81 -0.03 0.00 -0.04 0.00 0.00 33.50 31.14 1x1w n PRO 64 CO 0.00 0.00 0.00 0.20 -0.04 0.00 0.00 175.50 175.66 1x1w s GLY 65 N 4.08 1.75 -0.12 0.55 0.00 -1.26 -5.11 107.32 107.22 1x1w s GLY 65 Ca 0.90 -0.84 -0.30 0.00 0.00 0.00 0.00 44.72 44.48 1x1w s GLY 65 CO 0.47 -0.80 0.80 1.25 0.00 0.00 0.00 173.10 174.82 1x1w s LYS 66 N -3.40 0.86 0.20 2.90 2.20 -1.26 -5.08 119.74 116.17 1x1w s LYS 66 Ca 0.38 0.32 -0.32 0.00 -0.36 0.00 0.00 55.97 55.99 1x1w s LYS 66 Cb -0.11 0.41 -0.12 0.00 -1.51 0.00 0.00 37.83 36.50 1x1w s LYS 66 CO 0.29 -0.25 1.71 0.45 -0.36 0.00 0.00 175.35 177.20 1x1w s SER 67 N -0.93 6.40 0.00 1.43 0.15 -1.26 -1.57 113.70 117.92 1x1w s SER 67 Ca -0.06 2.85 0.00 0.00 0.70 0.00 0.00 55.95 59.44 1x1w s SER 67 Cb -0.01 -2.60 0.00 0.00 -1.71 0.00 0.00 66.02 61.70 1x1w s SER 67 CO 0.06 -0.96 0.00 0.61 1.20 0.00 0.00 173.24 174.14 1x1w n GLY 68 N 3.97 1.61 3.62 9.45 0.00 -1.26 -5.01 105.19 117.56 1x1w n GLY 68 Ca 0.16 0.00 -0.38 0.00 0.00 0.00 0.00 46.02 45.80 1x1w n GLY 68 CO 0.00 0.00 0.00 -1.60 0.00 0.00 0.00 173.32 171.72 1x1w s ARG 69 N -0.09 4.02 -0.02 1.61 3.52 -0.61 -4.95 118.95 122.43 1x1w s ARG 69 Ca 0.00 -0.13 0.04 0.00 -0.13 0.00 0.00 55.73 55.51 1x1w s ARG 69 Cb 0.00 -3.62 -0.03 0.00 -1.56 0.00 0.00 34.95 29.74 1x1w s ARG 69 CO 0.00 -0.14 -0.14 0.95 -0.81 0.00 0.00 175.30 175.16 1x1w s THR 70 N 1.65 3.07 0.13 4.11 -4.23 -1.26 -4.68 115.64 114.43 1x1w s THR 70 Ca 0.11 -0.83 0.05 0.00 -1.18 0.00 0.00 61.69 59.84 1x1w s THR 70 Cb -0.15 -2.23 -0.04 0.00 1.34 0.00 0.00 72.50 71.41 1x1w s THR 70 CO 0.09 0.51 0.07 0.26 -0.54 0.00 0.00 174.62 175.01 1x1w s TRP 71 N -0.80 3.08 0.09 3.99 0.52 -1.26 -0.39 118.94 124.16 1x1w s TRP 71 Ca 0.13 -0.01 -0.03 0.00 0.02 0.00 0.00 56.10 56.20 1x1w s TRP 71 Cb -0.11 -1.52 -0.03 0.00 -1.15 0.00 0.00 33.47 30.66 1x1w s TRP 71 CO 0.02 0.51 0.05 1.03 0.02 0.00 0.00 176.95 178.59 1x1w s ARG 72 N -2.74 0.78 0.12 4.98 0.52 -0.08 -0.32 118.95 122.21 1x1w s ARG 72 Ca 0.29 -1.23 0.04 0.00 -0.52 0.00 0.00 55.73 54.30 1x1w s ARG 72 Cb -0.11 0.25 -0.04 0.00 0.52 0.00 0.00 34.95 35.58 1x1w s ARG 72 CO 0.21 -0.20 -0.10 -1.83 0.02 0.00 0.00 175.30 173.41 1x1w s GLU 73 N -3.95 0.93 -0.06 3.54 -1.05 -0.74 -1.54 118.70 115.83 1x1w s GLU 73 Ca 0.12 -1.30 -0.09 0.00 -0.15 0.00 0.00 54.97 53.55 1x1w s GLU 73 Cb 0.07 -0.51 0.02 0.00 -0.44 0.00 0.00 34.13 33.26 1x1w s GLU 73 CO -0.06 0.06 0.23 0.00 0.95 0.00 0.00 175.26 176.44 1x1w s ALA 74 N -2.99 -0.58 0.39 -0.84 0.00 -0.78 -0.88 121.76 116.09 1x1w s ALA 74 Ca 0.11 0.47 -0.25 0.00 0.00 0.00 0.00 51.96 52.29 1x1w s ALA 74 Cb 0.01 -0.23 -0.09 0.00 0.00 0.00 0.00 23.12 22.81 1x1w s ALA 74 CO -0.01 -0.16 1.14 -0.51 0.00 0.00 0.00 175.76 176.23 1x1w s ASP 75 N -0.39 6.63 0.06 0.00 1.11 -0.12 -0.95 116.67 123.00 1x1w s ASP 75 Ca -0.05 2.28 0.07 0.00 0.18 0.00 0.00 52.55 55.03 1x1w s ASP 75 Cb -0.03 -2.61 -0.03 0.00 1.07 0.00 0.00 42.92 41.32 1x1w s ASP 75 CO 0.01 -0.60 -0.20 -0.63 1.18 0.00 0.00 175.17 174.93 1x1w s ILE 76 N -1.44 1.63 -1.55 0.77 -1.09 -0.86 -4.73 121.20 113.93 1x1w s ILE 76 Ca 0.56 -1.26 0.00 0.00 -2.23 0.00 0.00 60.65 57.72 1x1w s ILE 76 Cb -0.29 -1.44 0.00 0.00 -1.58 0.00 0.00 42.46 39.15 1x1w s ILE 76 CO 0.37 0.13 0.00 0.59 -1.23 0.00 0.00 174.94 174.79 1x1w n ASN 77 N 1.68 -4.80 -4.86 3.58 3.02 0.17 -4.58 115.26 109.47 1x1w n ASN 77 Ca -0.18 0.27 -0.37 0.00 -0.03 0.00 0.00 54.58 54.27 1x1w n ASN 77 Cb 0.53 -3.73 -0.06 0.00 -0.61 0.00 0.00 39.78 35.92 1x1w n ASN 77 CO 0.00 0.00 0.00 -0.47 -2.62 0.00 0.00 177.26 174.17 1x1w s TYR 78 N -2.63 3.66 0.03 3.10 5.04 -1.26 -4.96 117.35 120.33 1x1w s TYR 78 Ca 0.00 0.79 0.00 0.00 -2.44 0.00 0.00 57.07 55.42 1x1w s TYR 78 Cb 0.00 -2.14 0.00 0.00 0.35 0.00 0.00 41.96 40.17 1x1w s TYR 78 CO 0.00 0.66 0.00 2.41 -1.34 0.00 0.00 175.55 177.28 1x1w n THR 79 N 1.68 0.08 -3.58 4.34 -1.04 -1.26 -4.92 114.28 109.58 1x1w n THR 79 Ca -0.15 0.03 -0.07 0.00 -2.04 0.00 0.00 64.05 61.82 1x1w n THR 79 Cb 0.53 -0.98 -0.02 0.00 -1.82 0.00 0.00 70.33 68.04 1x1w n THR 79 CO 0.00 0.00 0.00 -0.94 -0.64 0.00 0.00 175.07 173.49 1x1w s SER 80 N -5.07 -0.29 0.00 8.00 1.04 -1.26 -4.68 113.70 111.44 1x1w s SER 80 Ca 0.00 -0.12 0.00 0.00 0.48 0.00 0.00 55.95 56.31 1x1w s SER 80 Cb 0.00 0.40 0.00 0.00 0.10 0.00 0.00 66.02 66.52 1x1w s SER 80 CO 0.00 -0.68 0.00 0.61 0.98 0.00 0.00 173.24 174.15 1x1w n GLY 81 N -0.31 -0.25 3.80 7.32 0.00 -1.25 -4.91 105.19 109.58 1x1w n GLY 81 Ca -0.08 -1.68 -0.36 0.00 0.00 0.00 0.00 46.02 43.91 1x1w n GLY 81 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 1x1w s PHE 82 N 0.00 3.61 0.62 1.61 0.08 -1.26 -4.56 117.98 118.08 1x1w s PHE 82 Ca 0.00 1.63 -0.19 0.00 0.12 0.00 0.00 56.93 58.49 1x1w s PHE 82 Cb 0.00 -2.81 -0.02 0.00 -0.57 0.00 0.00 43.02 39.61 1x1w s PHE 82 CO 0.00 0.19 1.27 1.03 -0.10 0.00 0.00 175.22 177.61 1x1w s ARG 83 N -2.24 2.74 0.00 0.44 0.52 -1.26 -5.04 118.95 114.12 1x1w s ARG 83 Ca 0.50 2.00 0.00 0.00 -0.52 0.00 0.00 55.73 57.71 1x1w s ARG 83 Cb -0.16 -1.91 0.00 0.00 0.52 0.00 0.00 34.95 33.40 1x1w s ARG 83 CO 0.21 -1.43 0.00 0.27 0.02 0.00 0.00 175.30 174.37 1x1w n ASN 84 N -1.72 0.00 -0.98 0.23 0.23 -1.26 -5.03 115.26 106.72 1x1w n ASN 84 Ca 0.15 -0.38 0.08 0.00 -0.53 0.00 0.00 54.58 53.90 1x1w n ASN 84 Cb 0.48 0.00 0.26 0.00 -2.08 0.00 0.00 39.78 38.44 1x1w n ASN 84 CO 0.00 0.00 0.00 -1.54 -0.93 0.00 0.00 177.26 174.79 1x1w n SER 85 N -1.13 3.91 -4.72 0.53 3.41 -1.26 -4.97 113.62 109.39 1x1w n SER 85 Ca 0.00 -2.74 -0.35 0.00 -0.26 0.00 0.00 58.87 55.52 1x1w n SER 85 Cb 0.00 -0.49 -0.08 0.00 -0.26 0.00 0.00 64.21 63.38 1x1w n SER 85 CO 0.00 0.00 0.00 -1.81 -0.16 0.00 0.00 175.04 173.07 1x1w s ASP 86 N -1.54 6.20 0.04 4.04 1.01 -1.26 -2.15 116.67 123.01 1x1w s ASP 86 Ca 0.40 0.22 -0.04 0.00 0.71 0.00 0.00 52.55 53.84 1x1w s ASP 86 Cb 0.30 -2.10 -0.02 0.00 1.01 0.00 0.00 42.92 42.11 1x1w s ASP 86 CO 0.12 0.16 0.06 -0.13 0.21 0.00 0.00 175.17 175.59 1x1w s ARG 87 N 0.49 0.57 0.02 8.23 1.81 -0.02 -2.02 118.95 128.02 1x1w s ARG 87 Ca 0.08 -0.85 0.07 0.00 -1.72 0.00 0.00 55.73 53.31 1x1w s ARG 87 Cb -0.11 0.22 -0.03 0.00 -0.45 0.00 0.00 34.95 34.57 1x1w s ARG 87 CO -0.01 -0.13 -0.20 -1.50 -0.68 0.00 0.00 175.30 172.78 1x1w s ILE 88 N -2.83 2.59 -0.07 1.52 2.07 -0.13 -1.30 121.20 123.05 1x1w s ILE 88 Ca -0.03 -1.13 0.04 0.00 -1.41 0.00 0.00 60.65 58.12 1x1w s ILE 88 Cb 0.00 -2.03 0.00 0.00 0.13 0.00 0.00 42.46 40.56 1x1w s ILE 88 CO -0.06 0.43 -0.19 -0.76 -1.91 0.00 0.00 174.94 172.45 1x1w s LEU 89 N -1.13 1.92 -0.01 8.50 2.01 0.10 -1.86 118.68 128.20 1x1w s LEU 89 Ca 0.13 -0.43 -0.01 0.00 0.01 0.00 0.00 54.13 53.83 1x1w s LEU 89 Cb -0.10 -1.13 0.00 0.00 0.01 0.00 0.00 46.19 44.97 1x1w s LEU 89 CO 0.03 0.13 0.03 -0.72 1.01 0.00 0.00 176.35 176.84 1x1w s TYR 90 N 0.28 -0.02 0.52 0.29 1.13 -0.59 -0.58 117.35 118.38 1x1w s TYR 90 Ca -0.12 0.06 0.08 0.00 -1.41 0.00 0.00 57.07 55.68 1x1w s TYR 90 Cb -0.15 0.00 0.05 0.00 -1.10 0.00 0.00 41.96 40.76 1x1w s TYR 90 CO 0.05 -0.03 0.60 -1.54 -2.51 0.00 0.00 175.55 172.12 1x1w s SER 91 N -0.09 5.04 0.19 -0.18 1.04 -0.86 -0.90 113.70 117.94 1x1w s SER 91 Ca -0.01 -0.88 -0.12 0.00 0.48 0.00 0.00 55.95 55.41 1x1w s SER 91 Cb -0.01 0.08 0.16 0.00 0.10 0.00 0.00 66.02 66.35 1x1w s SER 91 CO 0.00 -1.10 1.78 0.28 0.98 0.00 0.00 173.24 175.18 1x1w h SER 92 N 0.52 0.37 -0.10 7.02 0.02 -1.07 -0.67 113.55 119.63 1x1w h SER 92 Ca -0.35 0.03 0.00 0.00 -0.84 0.00 0.00 61.79 60.64 1x1w h SER 92 Cb 1.29 -0.03 0.00 0.00 0.14 0.00 0.00 62.40 63.79 1x1w h SER 92 CO 0.48 0.25 0.00 -0.90 -1.14 0.00 0.00 176.83 175.52 1x1w n ASP 93 N -4.89 1.46 -2.78 3.07 5.75 -1.26 -4.89 116.55 113.01 1x1w n ASP 93 Ca 0.05 -2.11 -0.20 0.00 -0.01 0.00 0.00 54.79 52.52 1x1w n ASP 93 Cb 0.15 -0.41 0.04 0.00 -1.03 0.00 0.00 41.12 39.88 1x1w n ASP 93 CO 0.00 0.00 0.00 0.79 -0.11 0.00 0.00 177.20 177.88 1x1w n TRP 94 N 0.03 -1.89 -2.84 2.11 7.02 -0.26 -5.02 117.44 116.60 1x1w n TRP 94 Ca 0.04 0.55 -0.39 0.00 -1.02 0.00 0.00 57.50 56.69 1x1w n TRP 94 Cb 0.32 -4.19 -0.06 0.00 -2.42 0.00 0.00 31.31 24.96 1x1w n TRP 94 CO 0.00 0.00 0.00 -0.51 -2.02 0.00 0.00 177.69 175.16 1x1w s LEU 95 N -6.05 4.51 -0.08 -0.99 1.43 -1.26 -4.83 118.68 111.41 1x1w s LEU 95 Ca 0.32 1.81 0.02 0.00 -1.03 0.00 0.00 54.13 55.25 1x1w s LEU 95 Cb -0.14 -3.68 0.01 0.00 0.03 0.00 0.00 46.19 42.41 1x1w s LEU 95 CO 0.39 0.08 -0.15 -0.63 0.23 0.00 0.00 176.35 176.28 1x1w s ILE 96 N -1.35 1.39 0.23 -0.59 1.09 -1.25 -2.03 121.20 118.69 1x1w s ILE 96 Ca 0.43 -0.62 0.04 0.00 -1.10 0.00 0.00 60.65 59.40 1x1w s ILE 96 Cb -0.22 -1.25 -0.05 0.00 -1.06 0.00 0.00 42.46 39.87 1x1w s ILE 96 CO 0.27 0.41 -0.02 -0.31 -0.10 0.00 0.00 174.94 175.20 1x1w s TYR 97 N 0.69 1.57 0.09 3.97 1.51 0.25 -1.35 117.35 124.07 1x1w s TYR 97 Ca -0.13 -0.89 0.01 0.00 -1.01 0.00 0.00 57.07 55.04 1x1w s TYR 97 Cb -0.16 -0.90 -0.04 0.00 -0.11 0.00 0.00 41.96 40.75 1x1w s TYR 97 CO 0.03 -0.00 -0.04 -1.59 -1.11 0.00 0.00 175.55 172.84 1x1w s LYS 98 N -3.84 0.79 -0.05 -0.62 -2.85 0.33 0.02 119.74 113.52 1x1w s LYS 98 Ca 0.27 -1.32 -0.03 0.00 -1.00 0.00 0.00 55.97 53.89 1x1w s LYS 98 Cb 0.05 -0.04 0.02 0.00 -2.06 0.00 0.00 37.83 35.81 1x1w s LYS 98 CO 0.08 -0.07 0.11 -0.08 0.10 0.00 0.00 175.35 175.49 1x1w s THR 99 N -3.76 -0.02 0.00 3.79 -1.32 -0.42 -1.16 115.64 112.75 1x1w s THR 99 Ca 0.12 0.08 0.00 0.00 -1.21 0.00 0.00 61.69 60.68 1x1w s THR 99 Cb 0.06 -0.18 0.00 0.00 -1.51 0.00 0.00 72.50 70.87 1x1w s THR 99 CO -0.05 0.03 0.70 0.35 -2.21 0.00 0.00 174.62 173.44 1x1w n THR 100 N 3.52 0.44 -2.38 5.08 -2.24 -1.26 -0.84 114.28 116.60 1x1w n THR 100 Ca -0.18 -0.69 -0.17 0.00 -2.27 0.00 0.00 64.05 60.74 1x1w n THR 100 Cb 0.56 0.82 0.02 0.00 -2.10 0.00 0.00 70.33 69.63 1x1w n THR 100 CO 0.00 0.00 0.00 -0.90 -0.57 0.00 0.00 175.07 173.60 1x1w n ASP 101 N -0.22 3.70 -3.72 3.42 5.68 -1.23 -4.61 116.55 119.57 1x1w n ASP 101 Ca 0.00 -3.22 -0.22 0.00 -0.50 0.00 0.00 54.79 50.85 1x1w n ASP 101 Cb 0.13 -0.42 0.03 0.00 -1.14 0.00 0.00 41.12 39.72 1x1w n ASP 101 CO 0.00 0.00 0.00 1.57 -1.33 0.00 0.00 177.20 177.44 1x1w n HIS 102 N -0.56 -1.89 -1.01 2.11 -0.00 -0.91 -2.62 115.22 110.33 1x1w n HIS 102 Ca 0.30 0.79 -0.00 0.00 -0.00 0.00 0.00 57.72 58.81 1x1w n HIS 102 Cb 0.85 -4.21 -0.00 0.00 -0.00 0.00 0.00 29.99 26.62 1x1w n HIS 102 CO 0.00 0.00 0.00 0.66 -0.00 0.00 0.00 176.34 177.00 1x1w n TYR 103 N -4.24 0.00 -0.05 1.57 4.01 -1.26 -4.91 117.16 112.28 1x1w n TYR 103 Ca -0.28 0.00 -0.12 0.00 -0.16 0.00 0.00 57.90 57.34 1x1w n TYR 103 Cb 0.67 -0.94 -0.06 0.00 -0.31 0.00 0.00 39.34 38.70 1x1w n TYR 103 CO 0.00 0.00 0.00 1.96 -0.46 0.00 0.00 176.86 178.36 1x1w h GLN 104 N 0.53 0.28 -5.04 -0.72 4.20 -1.92 -3.45 115.11 108.99 1x1w h GLN 104 Ca -0.01 -0.11 -0.33 0.00 0.06 0.00 0.00 58.65 58.26 1x1w h GLN 104 Cb 0.46 -0.02 -0.18 0.00 0.30 0.00 0.00 27.48 28.05 1x1w h GLN 104 CO 0.01 0.57 -0.73 0.95 -0.67 0.00 0.00 178.83 178.95 1x1w s THR 105 N -4.73 1.01 -0.03 -0.54 -4.23 -1.26 -5.12 115.64 100.73 1x1w s THR 105 Ca -0.14 -1.67 0.03 0.00 -1.18 0.00 0.00 61.69 58.73 1x1w s THR 105 Cb 0.05 -1.41 -0.00 0.00 1.34 0.00 0.00 72.50 72.48 1x1w s THR 105 CO 0.72 -0.55 -0.12 -0.36 -0.54 0.00 0.00 174.62 173.77 1x1w s PHE 106 N -2.45 1.26 -0.15 3.99 0.40 -1.26 -4.50 117.98 115.26 1x1w s PHE 106 Ca 0.07 -0.33 -0.01 0.00 -0.60 0.00 0.00 56.93 56.06 1x1w s PHE 106 Cb -0.03 -0.86 -0.01 0.00 0.51 0.00 0.00 43.02 42.62 1x1w s PHE 106 CO 0.00 -0.12 -0.10 0.99 0.70 0.00 0.00 175.22 176.70 1x1w s THR 107 N 0.09 3.21 0.03 0.64 2.01 -0.31 -4.92 115.64 116.39 1x1w s THR 107 Ca -0.02 -0.59 -0.30 0.00 0.31 0.00 0.00 61.69 61.08 1x1w s THR 107 Cb -0.09 -2.38 -0.04 0.00 0.01 0.00 0.00 72.50 70.00 1x1w s THR 107 CO 0.01 0.50 1.03 -0.75 -0.69 0.00 0.00 174.62 174.73 1x1w s LYS 108 N 0.55 4.55 0.23 4.92 2.20 -1.26 -0.51 119.74 130.42 1x1w s LYS 108 Ca -0.07 1.51 0.09 0.00 -0.36 0.00 0.00 55.97 57.15 1x1w s LYS 108 Cb -0.15 -3.42 -0.05 0.00 -1.51 0.00 0.00 37.83 32.70 1x1w s LYS 108 CO 0.03 -0.06 -0.17 0.96 -0.36 0.00 0.00 175.35 175.76 1x1w s ILE 109 N 0.85 2.00 0.00 5.43 -4.36 -0.46 -4.95 121.20 119.72 1x1w s ILE 109 Ca 0.53 -2.26 0.00 0.00 -0.26 0.00 0.00 60.65 58.66 1x1w s ILE 109 Cb -0.23 -2.12 0.00 0.00 1.25 0.00 0.00 42.46 41.35 1x1w s ILE 109 CO 0.29 -0.51 0.00 0.54 0.24 0.00 0.00 174.94 175.50