#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1gtz s SER 3 N 0.00 6.25 0.44 2.89 1.04 -1.26 -4.80 113.70 118.25 1gtz s SER 3 Ca 0.00 0.41 0.13 0.00 0.48 0.00 0.00 55.95 56.97 1gtz s SER 3 Cb 0.00 -1.96 1.03 0.00 0.10 0.00 0.00 66.02 65.19 1gtz s SER 3 CO 0.00 -0.33 2.01 -0.07 0.98 0.00 0.00 173.24 175.83 1gtz h LEU 4 N 0.74 0.34 -0.82 2.42 4.07 -1.91 -2.02 115.31 118.14 1gtz h LEU 4 Ca -0.49 0.00 -0.12 0.00 0.08 0.00 0.00 57.88 57.35 1gtz h LEU 4 Cb 1.22 -0.07 -0.01 0.00 1.08 0.00 0.00 40.66 42.88 1gtz h LEU 4 CO 0.61 0.22 -0.41 0.00 -1.08 0.00 0.00 178.44 177.77 1gtz h ALA 5 N 1.73 0.99 0.00 1.53 0.00 -1.89 -3.30 119.26 118.32 1gtz h ALA 5 Ca 0.24 -0.43 0.00 0.00 0.00 0.00 0.00 54.91 54.72 1gtz h ALA 5 Cb 0.42 -0.10 0.00 0.00 0.00 0.00 0.00 17.79 18.12 1gtz h ALA 5 CO -0.06 0.62 -0.70 0.09 0.00 0.00 0.00 179.25 179.20 1gtz n ASN 6 N -4.02 0.65 -3.54 0.00 5.03 -0.80 -4.98 115.26 107.61 1gtz n ASN 6 Ca -0.02 0.01 -0.18 0.00 0.87 0.00 0.00 54.58 55.27 1gtz n ASN 6 Cb 0.50 0.31 -0.06 0.00 -1.02 0.00 0.00 39.78 39.50 1gtz n ASN 6 CO 0.00 0.00 0.00 0.00 -1.83 0.00 0.00 177.26 175.43 1gtz s ALA 7 N -3.16 -1.75 0.58 5.41 0.00 -0.96 -4.96 121.76 116.92 1gtz s ALA 7 Ca 0.06 1.37 -0.14 0.00 0.00 0.00 0.00 51.96 53.26 1gtz s ALA 7 Cb 0.14 -0.12 -0.05 0.00 0.00 0.00 0.00 23.12 23.09 1gtz s ALA 7 CO 0.74 -0.36 1.02 -1.25 0.00 0.00 0.00 175.76 175.90 1gtz s PRO 8 N -1.03 3.62 -0.19 0.00 0.04 -1.26 -4.34 135.00 131.84 1gtz s PRO 8 Ca -0.10 0.93 -0.27 0.00 0.04 0.00 0.00 61.00 61.60 1gtz s PRO 8 Cb -0.01 -2.08 -0.00 0.00 0.04 0.00 0.00 34.50 32.44 1gtz s PRO 8 CO 0.09 -0.55 0.93 0.42 0.04 0.00 0.00 177.00 177.93 1gtz s ILE 9 N -2.83 4.79 -0.11 0.56 1.01 -0.47 -1.61 121.20 122.55 1gtz s ILE 9 Ca 0.58 1.82 -0.30 0.00 0.00 0.00 0.00 60.65 62.75 1gtz s ILE 9 Cb -0.12 -4.22 -0.02 0.00 0.01 0.00 0.00 42.46 38.12 1gtz s ILE 9 CO 0.42 -0.06 1.17 -0.32 0.00 0.00 0.00 174.94 176.15 1gtz s MET 10 N 2.57 4.32 -0.24 2.79 -2.45 -0.53 -1.39 119.30 124.37 1gtz s MET 10 Ca 0.41 1.60 -0.03 0.00 -1.25 0.00 0.00 55.69 56.42 1gtz s MET 10 Cb -0.16 -3.61 0.02 0.00 1.25 0.00 0.00 34.83 32.32 1gtz s MET 10 CO 0.10 -0.51 -0.05 0.42 1.05 0.00 0.00 175.02 176.04 1gtz s ILE 11 N 2.59 3.07 -0.08 10.11 1.01 -0.31 -0.84 121.20 136.76 1gtz s ILE 11 Ca 0.53 -0.86 0.02 0.00 0.00 0.00 0.00 60.65 60.34 1gtz s ILE 11 Cb -0.22 -2.51 -0.02 0.00 0.01 0.00 0.00 42.46 39.71 1gtz s ILE 11 CO 0.18 0.25 -0.13 -0.76 0.00 0.00 0.00 174.94 174.48 1gtz s LEU 12 N 1.38 2.80 -0.07 2.97 1.43 0.15 -0.48 118.68 126.86 1gtz s LEU 12 Ca 0.02 -0.21 -0.00 0.00 -1.03 0.00 0.00 54.13 52.91 1gtz s LEU 12 Cb -0.16 -1.59 0.02 0.00 0.03 0.00 0.00 46.19 44.49 1gtz s LEU 12 CO -0.04 0.29 -0.04 0.20 0.23 0.00 0.00 176.35 176.99 1gtz s ASN 13 N -0.39 1.56 0.32 2.29 0.01 -0.40 -0.70 114.94 117.64 1gtz s ASN 13 Ca 0.04 -0.16 0.00 0.00 -0.71 0.00 0.00 52.86 52.03 1gtz s ASN 13 Cb -0.12 -0.57 0.00 0.00 0.41 0.00 0.00 41.25 40.97 1gtz s ASN 13 CO 0.02 -0.12 0.00 0.61 -1.51 0.00 0.00 177.10 176.10 1gtz n GLY 14 N 4.68 -1.10 3.76 0.66 0.00 0.20 -1.34 105.19 112.05 1gtz n GLY 14 Ca -0.15 -1.61 -0.38 0.00 0.00 0.00 0.00 46.02 43.89 1gtz n GLY 14 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 1gtz s PRO 15 N -0.97 3.41 0.00 1.61 0.04 -1.07 -3.31 135.00 134.71 1gtz s PRO 15 Ca 0.00 2.14 0.00 0.00 0.04 0.00 0.00 61.00 63.18 1gtz s PRO 15 Cb 0.00 -2.37 0.00 0.00 0.04 0.00 0.00 34.50 32.17 1gtz s PRO 15 CO 0.00 -0.95 0.00 0.09 0.04 0.00 0.00 177.00 176.18 1gtz n ASN 16 N -0.73 0.00 0.30 6.66 3.02 -1.26 -4.55 115.26 118.71 1gtz n ASN 16 Ca 0.09 0.00 0.19 0.00 -0.03 0.00 0.00 54.58 54.82 1gtz n ASN 16 Cb 0.45 -0.02 1.03 0.00 -0.61 0.00 0.00 39.78 40.63 1gtz n ASN 16 CO 0.00 0.00 0.00 -0.07 -2.62 0.00 0.00 177.26 174.57 1gtz h LEU 17 N 0.00 0.00 -1.66 3.41 3.38 -1.93 -1.21 115.31 117.31 1gtz h LEU 17 Ca 0.00 0.00 0.17 0.00 0.09 0.00 0.00 57.88 58.14 1gtz h LEU 17 Cb 0.00 0.00 -0.05 0.00 0.09 0.00 0.00 40.66 40.70 1gtz h LEU 17 CO 0.00 0.00 0.52 -0.55 0.09 0.00 0.00 178.44 178.50 1gtz h ASN 18 N 0.00 0.31 -0.37 -0.43 -1.07 -1.89 -2.15 115.58 109.98 1gtz h ASN 18 Ca 0.01 0.02 0.00 0.00 0.07 0.00 0.00 56.30 56.40 1gtz h ASN 18 Cb 0.12 -0.04 0.00 0.00 -2.07 0.00 0.00 38.32 36.33 1gtz h ASN 18 CO -0.00 0.15 0.00 0.18 0.07 0.00 0.00 177.43 177.83 1gtz n LEU 19 N -4.45 2.99 -4.75 6.14 4.77 -0.46 -4.83 117.00 116.42 1gtz n LEU 19 Ca 0.15 -1.51 -0.41 0.00 -0.03 0.00 0.00 56.01 54.21 1gtz n LEU 19 Cb 0.62 -0.45 -0.02 0.00 -2.33 0.00 0.00 43.42 41.23 1gtz n LEU 19 CO 0.33 0.50 1.19 -0.22 -1.33 0.00 0.00 177.39 177.86 1gtz s LEU 20 N -1.29 4.36 0.00 2.23 2.96 -0.81 -0.77 118.68 125.36 1gtz s LEU 20 Ca 0.29 2.83 0.00 0.00 -0.22 0.00 0.00 54.13 57.03 1gtz s LEU 20 Cb 0.19 -3.63 0.00 0.00 0.50 0.00 0.00 46.19 43.25 1gtz s LEU 20 CO 0.13 -0.82 0.00 0.61 -1.32 0.00 0.00 176.35 174.95 1gtz n GLY 21 N 2.18 2.84 0.11 7.98 0.00 -1.07 -3.95 105.19 113.29 1gtz n GLY 21 Ca 0.08 -0.00 -0.14 0.00 0.00 0.00 0.00 46.02 45.95 1gtz n GLY 21 CO 0.00 0.00 0.00 -1.06 0.00 0.00 0.00 173.32 172.26 1gtz n GLN 22 N 0.00 0.68 -5.09 1.61 6.02 0.05 -4.69 117.38 115.95 1gtz n GLN 22 Ca 0.00 0.17 -0.32 0.00 -0.01 0.00 0.00 57.00 56.84 1gtz n GLN 22 Cb 0.00 -1.64 -0.15 0.00 1.02 0.00 0.00 30.24 29.47 1gtz n GLN 22 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 177.06 176.05 1gtz s ALA 23 N -2.54 2.38 -1.27 -1.58 0.00 -0.77 -4.75 121.76 113.23 1gtz s ALA 23 Ca -0.17 -1.02 -0.12 0.00 0.00 0.00 0.00 51.96 50.64 1gtz s ALA 23 Cb 0.07 -0.80 -0.00 0.00 0.00 0.00 0.00 23.12 22.39 1gtz s ALA 23 CO 0.76 0.47 0.60 1.04 0.00 0.00 0.00 175.76 178.63 1gtz n GLN 24 N 2.68 -2.18 0.29 0.00 6.02 -1.26 -4.75 117.38 118.19 1gtz n GLN 24 Ca -0.17 0.40 0.17 0.00 -0.01 0.00 0.00 57.00 57.40 1gtz n GLN 24 Cb 0.52 -4.20 0.87 0.00 1.02 0.00 0.00 30.24 28.45 1gtz n GLN 24 CO 0.00 0.00 0.00 -1.00 -1.01 0.00 0.00 177.06 175.05 1gtz h PRO 25 N -1.93 0.00 0.00 -1.09 0.13 -1.86 -0.42 132.00 126.84 1gtz h PRO 25 Ca -0.65 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.48 1gtz h PRO 25 Cb 1.37 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.50 1gtz h PRO 25 CO 0.55 0.04 0.00 1.05 -0.23 0.00 0.00 178.00 179.42 1gtz h GLU 26 N 0.00 0.00 0.00 0.86 9.09 -1.88 -0.71 114.58 121.94 1gtz h GLU 26 Ca -0.00 0.00 -0.27 0.00 0.05 0.00 0.00 59.36 59.14 1gtz h GLU 26 Cb 0.28 0.00 -0.05 0.00 -1.65 0.00 0.00 28.75 27.34 1gtz h GLU 26 CO 0.01 0.00 -1.98 -0.89 0.05 0.00 0.00 179.01 176.20 1gtz n ILE 27 N -2.34 0.98 0.36 -1.06 5.41 -0.25 -4.80 119.36 117.66 1gtz n ILE 27 Ca 0.03 -0.35 0.04 0.00 1.00 0.00 0.00 62.75 63.47 1gtz n ILE 27 Cb 0.30 -1.24 0.01 0.00 -0.71 0.00 0.00 39.64 38.01 1gtz n ILE 27 CO 0.00 0.00 0.00 -1.22 0.00 0.00 0.00 176.55 175.33 1gtz n TYR 28 N -3.17 0.00 0.00 1.39 4.02 -0.70 -4.69 117.16 114.01 1gtz n TYR 28 Ca -0.31 0.00 0.00 0.00 -0.01 0.00 0.00 57.90 57.58 1gtz n TYR 28 Cb 0.81 0.00 0.00 0.00 -0.02 0.00 0.00 39.34 40.13 1gtz n TYR 28 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 176.86 176.26 1gtz n GLY 29 N 0.72 -0.50 0.81 2.72 0.00 -0.27 -4.76 105.19 103.90 1gtz n GLY 29 Ca 0.04 -1.80 0.09 0.00 0.00 0.00 0.00 46.02 44.35 1gtz n GLY 29 CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76 1gtz n SER 30 N -0.60 2.81 -4.79 1.61 7.64 -1.26 -3.88 113.62 115.15 1gtz n SER 30 Ca 0.00 -1.82 -0.35 0.00 1.01 0.00 0.00 58.87 57.70 1gtz n SER 30 Cb 0.00 -0.13 -0.04 0.00 -1.01 0.00 0.00 64.21 63.03 1gtz n SER 30 CO 0.00 0.00 0.00 -1.81 -3.01 0.00 0.00 175.04 170.22 1gtz s ASP 31 N -1.29 6.59 0.53 6.43 1.01 -1.26 -4.65 116.67 124.03 1gtz s ASP 31 Ca 0.26 1.96 0.05 0.00 0.71 0.00 0.00 52.55 55.52 1gtz s ASP 31 Cb 0.16 -2.57 0.04 0.00 1.01 0.00 0.00 42.92 41.57 1gtz s ASP 31 CO 0.23 -0.61 0.73 0.42 0.21 0.00 0.00 175.17 176.15 1gtz s THR 32 N -1.85 2.64 0.32 -1.27 -4.23 -1.26 -2.58 115.64 107.41 1gtz s THR 32 Ca 0.62 -0.82 0.01 0.00 -1.18 0.00 0.00 61.69 60.32 1gtz s THR 32 Cb -0.18 -2.82 0.22 0.00 1.34 0.00 0.00 72.50 71.06 1gtz s THR 32 CO 0.23 0.00 1.93 0.25 -0.54 0.00 0.00 174.62 176.49 1gtz h LEU 33 N 0.21 0.75 -0.95 4.79 5.85 -1.83 -1.86 115.31 122.27 1gtz h LEU 33 Ca -0.39 -0.07 -0.07 0.00 0.84 0.00 0.00 57.88 58.20 1gtz h LEU 33 Cb 1.29 -0.19 -0.02 0.00 0.37 0.00 0.00 40.66 42.10 1gtz h LEU 33 CO 0.46 0.63 0.04 0.00 -0.34 0.00 0.00 178.44 179.23 1gtz h ALA 34 N 1.49 1.13 -0.40 1.25 0.00 -1.94 -1.11 119.26 119.69 1gtz h ALA 34 Ca 0.21 -0.25 0.05 0.00 0.00 0.00 0.00 54.91 54.92 1gtz h ALA 34 Cb 0.07 -0.20 -0.04 0.00 0.00 0.00 0.00 17.79 17.62 1gtz h ALA 34 CO -0.03 0.56 0.15 -0.44 0.00 0.00 0.00 179.25 179.49 1gtz h ASP 35 N 0.76 0.17 -0.68 0.00 3.32 -1.74 -1.93 116.42 116.32 1gtz h ASP 35 Ca 0.15 0.04 -0.03 0.00 0.02 0.00 0.00 57.03 57.21 1gtz h ASP 35 Cb 0.40 0.02 -0.03 0.00 0.22 0.00 0.00 39.33 39.94 1gtz h ASP 35 CO 0.01 0.14 0.30 0.58 -1.72 0.00 0.00 179.24 178.55 1gtz h VAL 36 N 0.32 1.24 -0.27 -1.35 2.07 -1.07 -1.88 116.25 115.30 1gtz h VAL 36 Ca 0.18 -0.70 0.03 0.00 0.82 0.00 0.00 66.70 67.03 1gtz h VAL 36 Cb 0.15 0.43 -0.03 0.00 -1.52 0.00 0.00 31.29 30.32 1gtz h VAL 36 CO -0.18 0.28 0.09 -0.08 0.02 0.00 0.00 177.57 177.71 1gtz h GLU 37 N 0.96 0.21 -0.70 1.57 4.81 -1.02 -1.39 114.58 119.01 1gtz h GLU 37 Ca 0.23 -0.01 0.04 0.00 -0.13 0.00 0.00 59.36 59.49 1gtz h GLU 37 Cb 0.16 -0.05 -0.05 0.00 0.63 0.00 0.00 28.75 29.45 1gtz h GLU 37 CO -0.02 0.14 0.42 0.00 -0.73 0.00 0.00 179.01 178.82 1gtz h ALA 38 N 1.17 0.94 -0.62 2.92 0.00 -1.13 0.51 119.26 123.04 1gtz h ALA 38 Ca 0.12 -0.01 0.02 0.00 0.00 0.00 0.00 54.91 55.04 1gtz h ALA 38 Cb 0.09 -0.19 -0.04 0.00 0.00 0.00 0.00 17.79 17.65 1gtz h ALA 38 CO -0.12 0.16 0.39 -0.07 0.00 0.00 0.00 179.25 179.61 1gtz h LEU 39 N 0.80 0.65 -0.39 0.00 3.38 -0.79 -0.95 115.31 118.01 1gtz h LEU 39 Ca 0.30 -0.00 -0.02 0.00 0.09 0.00 0.00 57.88 58.25 1gtz h LEU 39 Cb 0.10 -0.14 -0.02 0.00 0.09 0.00 0.00 40.66 40.69 1gtz h LEU 39 CO -0.14 0.46 0.17 0.00 0.09 0.00 0.00 178.44 179.01 1gtz h VAL 41 N 0.49 0.83 -0.36 0.00 2.07 -0.77 -0.45 116.25 118.06 1gtz h VAL 41 Ca 0.13 -0.04 0.01 0.00 0.82 0.00 0.00 66.70 67.62 1gtz h VAL 41 Cb 0.16 0.69 -0.02 0.00 -1.52 0.00 0.00 31.29 30.60 1gtz h VAL 41 CO -0.01 0.02 0.22 0.50 0.02 0.00 0.00 177.57 178.33 1gtz h LYS 42 N 0.13 0.44 -0.24 1.57 3.64 -1.13 -0.89 116.57 120.09 1gtz h LYS 42 Ca 0.14 -0.03 -0.05 0.00 -1.27 0.00 0.00 60.65 59.43 1gtz h LYS 42 Cb 0.16 -0.10 -0.01 0.00 -0.41 0.00 0.00 32.23 31.87 1gtz h LYS 42 CO -0.20 0.29 -0.06 0.00 -2.27 0.00 0.00 179.45 177.22 1gtz h ALA 43 N 1.14 0.34 -0.76 5.00 0.00 -1.23 -2.33 119.26 121.42 1gtz h ALA 43 Ca 0.14 -0.27 0.01 0.00 0.00 0.00 0.00 54.91 54.79 1gtz h ALA 43 Cb -0.03 -0.09 -0.04 0.00 0.00 0.00 0.00 17.79 17.63 1gtz h ALA 43 CO -0.05 0.14 0.50 0.00 0.00 0.00 0.00 179.25 179.84 1gtz h ALA 44 N 0.76 0.97 -0.88 0.00 0.00 -1.03 -3.00 119.26 116.08 1gtz h ALA 44 Ca 0.06 -0.05 0.08 0.00 0.00 0.00 0.00 54.91 55.01 1gtz h ALA 44 Cb 0.52 -0.30 -0.06 0.00 0.00 0.00 0.00 17.79 17.96 1gtz h ALA 44 CO 0.02 0.36 0.57 0.00 0.00 0.00 0.00 179.25 180.20 1gtz h ALA 45 N 1.29 1.60 0.00 0.00 0.00 -0.65 -0.09 119.26 121.41 1gtz h ALA 45 Ca 0.28 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 55.18 1gtz h ALA 45 Cb -0.09 -0.23 0.00 0.00 0.00 0.00 0.00 17.79 17.47 1gtz h ALA 45 CO -0.07 0.25 0.00 0.00 0.00 0.00 0.00 179.25 179.42 1gtz h ALA 46 N 1.54 1.00 -0.50 0.00 0.00 -1.29 -0.69 119.26 119.33 1gtz h ALA 46 Ca 0.40 0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.31 1gtz h ALA 46 Cb 0.32 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.11 1gtz h ALA 46 CO -0.16 0.00 0.00 0.72 0.00 0.00 0.00 179.25 179.81 1gtz n HIS 47 N -2.75 0.83 -1.12 0.00 8.25 -0.27 -4.95 115.22 115.20 1gtz n HIS 47 Ca -0.01 -0.56 -0.04 0.00 -0.26 0.00 0.00 57.72 56.85 1gtz n HIS 47 Cb 0.14 -0.09 -0.02 0.00 1.12 0.00 0.00 29.99 31.15 1gtz n HIS 47 CO 0.00 0.00 0.00 0.41 0.64 0.00 0.00 176.34 177.39 1gtz n GLY 48 N 0.82 0.70 3.82 -1.41 0.00 -0.26 -4.84 105.19 104.01 1gtz n GLY 48 Ca 0.18 -0.76 -0.29 0.00 0.00 0.00 0.00 46.02 45.15 1gtz n GLY 48 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 1gtz s GLY 49 N -2.85 2.66 0.19 -0.02 0.00 -0.21 -4.34 107.32 102.77 1gtz s GLY 49 Ca 0.00 -0.99 0.01 0.00 0.00 0.00 0.00 44.72 43.74 1gtz s GLY 49 CO 0.00 -2.06 0.05 -0.51 0.00 0.00 0.00 173.10 170.58 1gtz s THR 50 N -2.80 0.49 0.21 0.90 -4.23 -1.26 -3.37 115.64 105.58 1gtz s THR 50 Ca 0.22 -1.98 0.06 0.00 -1.18 0.00 0.00 61.69 58.82 1gtz s THR 50 Cb 0.00 -2.28 -0.05 0.00 1.34 0.00 0.00 72.50 71.51 1gtz s THR 50 CO 0.13 -0.30 -0.09 0.68 -0.54 0.00 0.00 174.62 174.50 1gtz s VAL 51 N -3.79 1.48 -0.43 2.29 -7.23 -1.26 -1.37 120.40 110.09 1gtz s VAL 51 Ca 0.29 -2.13 0.02 0.00 -1.81 0.00 0.00 61.98 58.35 1gtz s VAL 51 Cb 0.07 -2.13 0.14 0.00 0.56 0.00 0.00 36.38 35.02 1gtz s VAL 51 CO 0.07 -0.53 0.24 -0.62 -0.31 0.00 0.00 175.10 173.95 1gtz s ASP 52 N -3.31 3.50 -0.24 4.85 -1.08 -0.49 -4.85 116.67 115.06 1gtz s ASP 52 Ca 0.23 -2.57 -0.17 0.00 -0.52 0.00 0.00 52.55 49.52 1gtz s ASP 52 Cb 0.02 -0.92 -0.03 0.00 -1.46 0.00 0.00 42.92 40.52 1gtz s ASP 52 CO 0.07 -0.27 0.45 0.12 0.52 0.00 0.00 175.17 176.05 1gtz s PHE 53 N 0.45 3.30 0.04 -5.34 5.36 -1.26 -1.16 117.98 119.37 1gtz s PHE 53 Ca 0.18 0.59 -0.00 0.00 -0.96 0.00 0.00 56.93 56.74 1gtz s PHE 53 Cb -0.23 -2.62 -0.03 0.00 -0.34 0.00 0.00 43.02 39.80 1gtz s PHE 53 CO -0.00 -0.17 -0.04 1.03 -1.46 0.00 0.00 175.22 174.58 1gtz s ARG 54 N 1.88 0.47 -0.02 10.12 0.52 0.37 -4.99 118.95 127.31 1gtz s ARG 54 Ca 0.19 -0.88 0.02 0.00 -0.52 0.00 0.00 55.73 54.54 1gtz s ARG 54 Cb -0.15 0.09 0.00 0.00 0.52 0.00 0.00 34.95 35.41 1gtz s ARG 54 CO 0.09 -0.06 -0.08 -1.14 0.02 0.00 0.00 175.30 174.13 1gtz s GLN 55 N -2.49 0.81 -0.09 3.54 -0.44 -1.26 -1.27 119.66 118.46 1gtz s GLN 55 Ca -0.06 -0.27 -0.08 0.00 -2.50 0.00 0.00 55.36 52.45 1gtz s GLN 55 Cb -0.03 -0.77 0.02 0.00 -1.64 0.00 0.00 33.01 30.59 1gtz s GLN 55 CO -0.04 0.12 0.23 0.45 0.50 0.00 0.00 175.29 176.55 1gtz s SER 56 N 0.10 -0.24 0.00 6.67 0.15 -0.45 -4.97 113.70 114.96 1gtz s SER 56 Ca -0.01 0.47 0.27 0.00 0.70 0.00 0.00 55.95 57.37 1gtz s SER 56 Cb -0.07 0.47 1.15 0.00 -1.71 0.00 0.00 66.02 65.86 1gtz s SER 56 CO 0.00 -0.08 1.86 0.59 1.20 0.00 0.00 173.24 176.81 1gtz n ASN 57 N 2.96 0.00 -4.39 5.45 3.02 -1.26 -2.59 115.26 118.45 1gtz n ASN 57 Ca -0.13 0.47 -0.36 0.00 -0.03 0.00 0.00 54.58 54.53 1gtz n ASN 57 Cb 0.58 -0.49 -0.13 0.00 -0.61 0.00 0.00 39.78 39.14 1gtz n ASN 57 CO 0.00 0.00 0.00 -1.00 -2.62 0.00 0.00 177.26 173.64 1gtz s HIS 58 N -2.98 3.08 0.21 3.10 3.76 -1.26 -4.71 115.29 116.49 1gtz s HIS 58 Ca 0.13 -0.70 -0.11 0.00 -0.15 0.00 0.00 55.06 54.24 1gtz s HIS 58 Cb 0.17 -2.22 0.28 0.00 1.11 0.00 0.00 32.58 31.92 1gtz s HIS 58 CO 0.48 -0.47 1.69 1.49 -0.85 0.00 0.00 174.74 177.08 1gtz h GLU 59 N 8.22 0.18 0.00 1.40 4.81 -2.00 -2.00 114.58 125.19 1gtz h GLU 59 Ca -0.37 -0.01 -0.08 0.00 -0.13 0.00 0.00 59.36 58.77 1gtz h GLU 59 Cb 1.16 -0.04 -0.01 0.00 0.63 0.00 0.00 28.75 30.48 1gtz h GLU 59 CO 0.59 0.12 -0.38 0.78 -0.73 0.00 0.00 179.01 179.39 1gtz h GLY 60 N 0.19 0.00 0.89 1.92 0.00 -1.99 -1.25 103.07 102.82 1gtz h GLY 60 Ca 0.31 0.00 -0.03 0.00 0.00 0.00 0.00 47.33 47.60 1gtz h GLY 60 CO -0.44 0.00 0.06 -2.09 0.00 0.00 0.00 176.54 174.07 1gtz h GLU 61 N 0.00 0.49 -0.28 4.80 4.81 -1.81 -1.20 114.58 121.38 1gtz h GLU 61 Ca -0.00 -0.12 0.07 0.00 -0.13 0.00 0.00 59.36 59.17 1gtz h GLU 61 Cb 0.68 -0.06 -0.07 0.00 0.63 0.00 0.00 28.75 29.93 1gtz h GLU 61 CO 0.05 0.58 -0.18 -0.07 -0.73 0.00 0.00 179.01 178.65 1gtz h LEU 62 N 0.32 -0.59 -0.64 1.64 3.38 -1.14 -0.63 115.31 117.64 1gtz h LEU 62 Ca 0.09 0.13 0.08 0.00 0.09 0.00 0.00 57.88 58.27 1gtz h LEU 62 Cb 0.32 0.30 -0.07 0.00 0.09 0.00 0.00 40.66 41.30 1gtz h LEU 62 CO 0.00 -0.22 0.30 0.58 0.09 0.00 0.00 178.44 179.19 1gtz h VAL 63 N -0.16 0.84 -0.88 1.22 2.07 -0.99 -2.09 116.25 116.27 1gtz h VAL 63 Ca 0.15 -0.18 -0.02 0.00 0.82 0.00 0.00 66.70 67.47 1gtz h VAL 63 Cb 0.38 0.27 -0.04 0.00 -1.52 0.00 0.00 31.29 30.39 1gtz h VAL 63 CO -0.37 0.10 0.45 0.44 0.02 0.00 0.00 177.57 178.20 1gtz h ASP 64 N 0.52 1.12 -0.23 0.57 3.32 -0.46 -1.57 116.42 119.70 1gtz h ASP 64 Ca 0.31 -0.12 -0.12 0.00 0.02 0.00 0.00 57.03 57.13 1gtz h ASP 64 Cb 0.32 -0.29 -0.01 0.00 0.22 0.00 0.00 39.33 39.57 1gtz h ASP 64 CO -0.26 0.92 -0.26 -0.50 -1.72 0.00 0.00 179.24 177.42 1gtz h TRP 65 N 1.24 0.82 -0.66 4.55 6.55 -1.00 -1.70 115.95 125.76 1gtz h TRP 65 Ca 0.31 -0.20 -0.04 0.00 0.95 0.00 0.00 58.89 59.91 1gtz h TRP 65 Cb 0.07 -0.19 -0.03 0.00 -0.86 0.00 0.00 29.16 28.15 1gtz h TRP 65 CO 0.01 0.90 0.26 0.82 -1.05 0.00 0.00 178.44 179.39 1gtz h ILE 66 N 0.62 1.23 -0.35 1.49 2.04 -0.95 -0.75 117.51 120.84 1gtz h ILE 66 Ca 0.08 -0.71 -0.11 0.00 1.00 0.00 0.00 64.86 65.12 1gtz h ILE 66 Cb 0.76 0.44 -0.01 0.00 -0.74 0.00 0.00 36.82 37.27 1gtz h ILE 66 CO 0.06 0.29 -0.23 0.45 0.00 0.00 0.00 178.15 178.72 1gtz h HIS 67 N 0.95 0.78 -0.39 1.37 3.86 -0.92 -0.52 115.15 120.28 1gtz h HIS 67 Ca 0.22 -0.17 -0.03 0.00 -1.16 0.00 0.00 60.37 59.23 1gtz h HIS 67 Cb 0.18 -0.19 -0.02 0.00 1.06 0.00 0.00 27.41 28.45 1gtz h HIS 67 CO 0.01 0.85 0.11 1.49 0.86 0.00 0.00 177.93 181.26 1gtz h GLU 68 N 0.60 0.61 -0.94 2.45 4.81 -0.96 -2.81 114.58 118.34 1gtz h GLU 68 Ca 0.09 -0.14 -0.00 0.00 -0.13 0.00 0.00 59.36 59.18 1gtz h GLU 68 Cb 0.71 -0.08 -0.05 0.00 0.63 0.00 0.00 28.75 29.96 1gtz h GLU 68 CO 0.05 0.62 0.57 0.00 -0.73 0.00 0.00 179.01 179.52 1gtz h ALA 69 N 0.96 1.20 -1.01 2.92 0.00 -0.56 -1.78 119.26 120.98 1gtz h ALA 69 Ca 0.12 -0.10 0.28 0.00 0.00 0.00 0.00 54.91 55.22 1gtz h ALA 69 Cb 0.27 -0.38 -0.13 0.00 0.00 0.00 0.00 17.79 17.55 1gtz h ALA 69 CO -0.00 0.65 0.60 -0.09 0.00 0.00 0.00 179.25 180.40 1gtz h ARG 70 N 1.29 0.44 0.00 0.00 2.43 -0.84 -1.36 114.38 116.34 1gtz h ARG 70 Ca 0.34 -0.03 0.00 0.00 -0.81 0.00 0.00 59.98 59.48 1gtz h ARG 70 Cb -0.06 -0.10 0.00 0.00 -0.42 0.00 0.00 29.97 29.39 1gtz h ARG 70 CO -0.06 0.29 -1.74 1.28 -1.51 0.00 0.00 179.97 178.23 1gtz n LEU 71 N -4.93 0.23 0.00 3.80 4.77 -0.86 -4.73 117.00 115.28 1gtz n LEU 71 Ca 0.29 -0.04 0.00 0.00 -0.03 0.00 0.00 56.01 56.23 1gtz n LEU 71 Cb 0.87 -0.01 0.00 0.00 -2.33 0.00 0.00 43.42 41.95 1gtz n LEU 71 CO 0.14 0.02 0.16 0.59 -1.33 0.00 0.00 177.39 176.97 1gtz n ASN 72 N -2.17 0.64 -4.33 -1.43 3.02 -0.73 -5.09 115.26 105.18 1gtz n ASN 72 Ca -0.02 -0.98 -0.19 0.00 -0.03 0.00 0.00 54.58 53.36 1gtz n ASN 72 Cb 0.53 0.02 -0.10 0.00 -0.61 0.00 0.00 39.78 39.61 1gtz n ASN 72 CO 0.00 0.00 0.00 -1.00 -2.62 0.00 0.00 177.26 173.64 1gtz s HIS 73 N -0.02 1.67 -1.51 3.10 3.76 -0.56 -4.49 115.29 117.25 1gtz s HIS 73 Ca 0.00 -0.57 0.26 0.00 -0.15 0.00 0.00 55.06 54.61 1gtz s HIS 73 Cb 0.00 -0.80 0.76 0.00 1.11 0.00 0.00 32.58 33.66 1gtz s HIS 73 CO 0.00 0.32 1.57 0.00 -0.85 0.00 0.00 174.74 175.78 1gtz n GLY 75 N 1.38 1.86 3.07 0.00 0.00 -1.26 -4.47 105.19 105.77 1gtz n GLY 75 Ca 0.10 -0.86 -0.26 0.00 0.00 0.00 0.00 46.02 45.00 1gtz n GLY 75 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1gtz s ILE 76 N -2.00 1.35 -0.33 -0.61 1.01 -0.24 -1.45 121.20 118.93 1gtz s ILE 76 Ca 0.00 -0.61 -0.08 0.00 0.00 0.00 0.00 60.65 59.96 1gtz s ILE 76 Cb 0.00 -1.21 0.02 0.00 0.01 0.00 0.00 42.46 41.27 1gtz s ILE 76 CO 0.00 0.40 0.13 -0.69 0.00 0.00 0.00 174.94 174.78 1gtz s VAL 77 N 0.58 4.20 -0.07 2.92 1.01 -0.02 -1.23 120.40 127.79 1gtz s VAL 77 Ca -0.16 -0.77 0.03 0.00 0.00 0.00 0.00 61.98 61.09 1gtz s VAL 77 Cb -0.16 -3.25 0.00 0.00 0.00 0.00 0.00 36.38 32.97 1gtz s VAL 77 CO 0.05 -0.05 -0.18 -0.51 0.00 0.00 0.00 175.10 174.41 1gtz s ILE 78 N 1.52 1.58 -0.64 2.22 2.07 0.13 -0.67 121.20 127.40 1gtz s ILE 78 Ca 0.02 -0.75 -0.10 0.00 -1.41 0.00 0.00 60.65 58.41 1gtz s ILE 78 Cb -0.18 -1.38 0.17 0.00 0.13 0.00 0.00 42.46 41.19 1gtz s ILE 78 CO 0.04 0.45 0.53 0.21 -1.91 0.00 0.00 174.94 174.27 1gtz s ASN 79 N 0.40 6.01 0.00 4.50 3.84 0.13 -0.67 114.94 129.15 1gtz s ASN 79 Ca -0.14 -2.42 0.17 0.00 0.21 0.00 0.00 52.86 50.68 1gtz s ASN 79 Cb -0.16 -2.06 0.75 0.00 -0.55 0.00 0.00 41.25 39.23 1gtz s ASN 79 CO 0.06 -0.59 1.54 -2.65 -2.79 0.00 0.00 177.10 172.67 1gtz n PRO 80 N 4.25 0.04 0.00 0.43 -0.02 -1.26 -0.63 135.00 137.81 1gtz n PRO 80 Ca 0.03 0.19 0.00 0.00 -2.02 0.00 0.00 63.50 61.70 1gtz n PRO 80 Cb 0.42 -1.50 0.00 0.00 -0.02 0.00 0.00 33.50 32.40 1gtz n PRO 80 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 1gtz n ALA 81 N -1.47 0.00 -0.24 3.55 0.00 -1.26 -1.82 120.51 119.27 1gtz n ALA 81 Ca 0.05 0.00 0.04 0.00 0.00 0.00 0.00 53.44 53.53 1gtz n ALA 81 Cb 0.19 0.00 0.28 0.00 0.00 0.00 0.00 19.45 19.92 1gtz n ALA 81 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1gtz h ALA 82 N -0.59 1.57 0.00 0.00 0.00 -1.94 -1.95 119.26 116.34 1gtz h ALA 82 Ca 0.00 -0.03 0.00 0.00 0.00 0.00 0.00 54.91 54.88 1gtz h ALA 82 Cb 0.00 -0.25 0.00 0.00 0.00 0.00 0.00 17.79 17.54 1gtz h ALA 82 CO 0.00 0.33 0.06 0.66 0.00 0.00 0.00 179.25 180.30 1gtz n TYR 83 N -4.47 0.46 -0.19 0.00 0.53 -0.76 -1.90 117.16 110.84 1gtz n TYR 83 Ca 0.11 0.24 -0.01 0.00 -1.02 0.00 0.00 57.90 57.22 1gtz n TYR 83 Cb 0.17 -0.84 0.09 0.00 -1.03 0.00 0.00 39.34 37.72 1gtz n TYR 83 CO 0.00 0.00 0.00 0.77 -1.02 0.00 0.00 176.86 176.61 1gtz h SER 84 N 0.00 0.25 1.46 7.72 0.02 -1.39 -0.19 113.55 121.41 1gtz h SER 84 Ca 0.00 0.07 0.00 0.00 -0.84 0.00 0.00 61.79 61.02 1gtz h SER 84 Cb 0.12 0.04 0.00 0.00 0.14 0.00 0.00 62.40 62.70 1gtz h SER 84 CO 0.00 0.16 -0.12 0.45 -1.14 0.00 0.00 176.83 176.18 1gtz h HIS 85 N 0.42 0.00 0.00 3.45 3.86 -1.55 -0.60 115.15 120.72 1gtz h HIS 85 Ca 0.28 0.00 0.00 0.00 -1.16 0.00 0.00 60.37 59.49 1gtz h HIS 85 Cb 0.31 0.00 0.00 0.00 1.06 0.00 0.00 27.41 28.78 1gtz h HIS 85 CO -0.15 0.00 -0.71 0.25 0.86 0.00 0.00 177.93 178.18 1gtz n THR 86 N -2.39 0.00 -3.19 2.45 -2.24 -1.01 -4.80 114.28 103.09 1gtz n THR 86 Ca 0.05 0.00 -0.46 0.00 -2.27 0.00 0.00 64.05 61.37 1gtz n THR 86 Cb 0.45 0.26 -0.02 0.00 -2.10 0.00 0.00 70.33 68.92 1gtz n THR 86 CO 0.00 0.00 0.00 -0.55 -0.57 0.00 0.00 175.07 173.95 1gtz s SER 87 N -1.50 6.67 0.48 3.42 0.15 -0.11 -4.82 113.70 117.98 1gtz s SER 87 Ca 0.00 -2.39 0.13 0.00 0.70 0.00 0.00 55.95 54.39 1gtz s SER 87 Cb 0.00 -2.27 1.12 0.00 -1.71 0.00 0.00 66.02 63.15 1gtz s SER 87 CO 0.00 -0.76 2.09 0.58 1.20 0.00 0.00 173.24 176.35 1gtz h VAL 88 N 5.20 1.01 -0.57 4.45 2.07 -1.94 -2.91 116.25 123.56 1gtz h VAL 88 Ca 0.08 -0.08 -0.07 0.00 0.82 0.00 0.00 66.70 67.46 1gtz h VAL 88 Cb 1.04 0.76 -0.02 0.00 -1.52 0.00 0.00 31.29 31.54 1gtz h VAL 88 CO 0.89 0.04 0.08 0.00 0.02 0.00 0.00 177.57 178.60 1gtz h ALA 89 N 1.86 1.07 -0.01 1.67 0.00 -1.97 0.11 119.26 121.99 1gtz h ALA 89 Ca 0.10 -0.25 -0.24 0.00 0.00 0.00 0.00 54.91 54.51 1gtz h ALA 89 Cb 0.10 -0.22 0.01 0.00 0.00 0.00 0.00 17.79 17.68 1gtz h ALA 89 CO -0.02 0.60 -0.97 0.82 0.00 0.00 0.00 179.25 179.68 1gtz h ILE 90 N 0.87 1.34 -0.56 0.00 2.04 -1.88 -1.42 117.51 117.89 1gtz h ILE 90 Ca 0.18 -2.32 0.05 0.00 1.00 0.00 0.00 64.86 63.77 1gtz h ILE 90 Cb 0.40 2.36 -0.05 0.00 -0.74 0.00 0.00 36.82 38.80 1gtz h ILE 90 CO 0.01 0.71 0.29 0.25 0.00 0.00 0.00 178.15 179.41 1gtz h LEU 91 N 0.32 0.42 -0.95 1.44 5.85 -1.27 -2.01 115.31 119.12 1gtz h LEU 91 Ca -0.10 0.03 -0.11 0.00 0.84 0.00 0.00 57.88 58.54 1gtz h LEU 91 Cb 1.61 -0.05 -0.01 0.00 0.37 0.00 0.00 40.66 42.58 1gtz h LEU 91 CO 0.18 0.28 -0.44 0.44 -0.34 0.00 0.00 178.44 178.56 1gtz h ASP 92 N 0.56 0.19 -0.08 1.25 3.32 -0.57 -1.12 116.42 119.97 1gtz h ASP 92 Ca 0.25 -0.08 0.01 0.00 0.02 0.00 0.00 57.03 57.23 1gtz h ASP 92 Cb 0.16 -0.05 -0.01 0.00 0.22 0.00 0.00 39.33 39.64 1gtz h ASP 92 CO -0.17 0.61 0.01 0.00 -1.72 0.00 0.00 179.24 177.97 1gtz h ALA 93 N 1.40 0.07 -0.15 3.45 0.00 -1.02 -1.83 119.26 121.17 1gtz h ALA 93 Ca 0.01 0.02 -0.03 0.00 0.00 0.00 0.00 54.91 54.91 1gtz h ALA 93 Cb 0.84 0.03 -0.01 0.00 0.00 0.00 0.00 17.79 18.65 1gtz h ALA 93 CO 0.07 -0.46 -0.05 -0.07 0.00 0.00 0.00 179.25 178.73 1gtz h LEU 94 N 0.04 0.21 -0.70 0.00 3.38 -0.83 -2.56 115.31 114.84 1gtz h LEU 94 Ca 0.03 -0.03 0.00 0.00 0.09 0.00 0.00 57.88 57.98 1gtz h LEU 94 Cb 0.04 -0.05 0.00 0.00 0.09 0.00 0.00 40.66 40.73 1gtz h LEU 94 CO -0.05 0.30 0.00 0.78 0.09 0.00 0.00 178.44 179.55 1gtz h ASN 95 N 0.22 0.00 1.29 -0.43 -0.26 -0.40 -2.60 115.58 113.41 1gtz h ASN 95 Ca 0.05 0.00 0.00 0.00 -0.56 0.00 0.00 56.30 55.79 1gtz h ASN 95 Cb 0.24 0.00 0.00 0.00 -1.06 0.00 0.00 38.32 37.50 1gtz h ASN 95 CO 0.01 0.00 0.00 0.71 -1.06 0.00 0.00 177.43 177.09 1gtz h THR 96 N 0.00 0.00 -2.76 2.81 1.35 -1.00 -3.39 112.91 109.91 1gtz h THR 96 Ca 0.00 -0.49 -0.76 0.00 -0.55 0.00 0.00 66.41 64.61 1gtz h THR 96 Cb 0.56 1.41 -0.22 0.00 -1.73 0.00 0.00 68.15 68.17 1gtz h THR 96 CO 0.00 0.00 0.92 0.00 -0.25 0.00 0.00 175.52 176.19 1gtz n ASP 98 N 4.67 2.47 0.00 0.00 2.03 -1.26 -2.65 116.55 121.81 1gtz n ASP 98 Ca 0.30 -0.14 0.00 0.00 0.52 0.00 0.00 54.79 55.47 1gtz n ASP 98 Cb 0.43 -1.50 0.00 0.00 -0.72 0.00 0.00 41.12 39.33 1gtz n ASP 98 CO 0.00 0.00 0.00 0.61 -1.92 0.00 0.00 177.20 175.89 1gtz n GLY 99 N 6.03 1.18 3.70 0.27 0.00 -1.26 -5.00 105.19 110.11 1gtz n GLY 99 Ca 0.37 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.97 1gtz n GLY 99 CO 0.00 0.00 0.00 -2.27 0.00 0.00 0.00 173.32 171.05 1gtz s LEU 100 N 0.00 4.33 0.19 0.99 2.96 -1.08 -4.97 118.68 121.10 1gtz s LEU 100 Ca 0.00 1.88 -0.33 0.00 -0.22 0.00 0.00 54.13 55.46 1gtz s LEU 100 Cb 0.00 -3.57 -0.13 0.00 0.50 0.00 0.00 46.19 43.00 1gtz s LEU 100 CO 0.00 -0.50 1.68 -2.65 -1.32 0.00 0.00 176.35 173.56 1gtz n PRO 101 N 4.53 2.58 -4.42 0.98 -0.02 -1.26 -4.91 135.00 132.48 1gtz n PRO 101 Ca 0.10 0.93 -0.22 0.00 -2.02 0.00 0.00 63.50 62.29 1gtz n PRO 101 Cb 0.47 -2.75 -0.16 0.00 -0.02 0.00 0.00 33.50 31.03 1gtz n PRO 101 CO 0.00 0.00 0.00 0.08 1.98 0.00 0.00 175.50 177.56 1gtz s VAL 102 N 1.07 0.86 -0.09 -1.45 1.01 -1.26 -1.08 120.40 119.47 1gtz s VAL 102 Ca 0.76 -0.36 0.01 0.00 0.00 0.00 0.00 61.98 62.39 1gtz s VAL 102 Cb -0.56 -0.79 0.02 0.00 0.00 0.00 0.00 36.38 35.05 1gtz s VAL 102 CO 0.34 0.28 -0.12 -0.69 0.00 0.00 0.00 175.10 174.91 1gtz s VAL 103 N 0.46 1.23 -0.10 2.92 1.01 -0.36 -0.46 120.40 125.09 1gtz s VAL 103 Ca -0.08 -0.49 -0.15 0.00 0.00 0.00 0.00 61.98 61.26 1gtz s VAL 103 Cb -0.12 -1.15 -0.05 0.00 0.00 0.00 0.00 36.38 35.06 1gtz s VAL 103 CO 0.01 0.39 0.36 -0.70 0.00 0.00 0.00 175.10 175.16 1gtz s GLU 104 N 1.01 4.13 -0.03 2.72 2.12 -0.68 -0.69 118.70 127.28 1gtz s GLU 104 Ca -0.08 0.25 0.05 0.00 0.36 0.00 0.00 54.97 55.55 1gtz s GLU 104 Cb -0.15 -3.36 -0.01 0.00 0.26 0.00 0.00 34.13 30.88 1gtz s GLU 104 CO -0.01 0.38 -0.16 0.08 -0.54 0.00 0.00 175.26 175.01 1gtz s VAL 105 N -0.01 1.34 -0.09 3.70 1.01 0.15 -1.13 120.40 125.36 1gtz s VAL 105 Ca 0.20 -0.70 0.02 0.00 0.00 0.00 0.00 61.98 61.51 1gtz s VAL 105 Cb -0.14 -1.13 0.01 0.00 0.00 0.00 0.00 36.38 35.12 1gtz s VAL 105 CO 0.08 0.38 -0.15 -1.00 0.00 0.00 0.00 175.10 174.41 1gtz s HIS 106 N -0.18 1.84 0.07 5.22 3.76 -0.30 -4.08 115.29 121.61 1gtz s HIS 106 Ca 0.02 -0.80 -0.23 0.00 -0.15 0.00 0.00 55.06 53.90 1gtz s HIS 106 Cb -0.09 -1.32 -0.15 0.00 1.11 0.00 0.00 32.58 32.13 1gtz s HIS 106 CO 0.01 -0.41 1.63 0.82 -0.85 0.00 0.00 174.74 175.94 1gtz h ILE 107 N 5.95 1.11 -3.49 0.60 2.04 -1.86 -1.90 117.51 119.96 1gtz h ILE 107 Ca -0.30 -0.32 -0.49 0.00 1.00 0.00 0.00 64.86 64.75 1gtz h ILE 107 Cb 1.18 1.25 0.03 0.00 -0.74 0.00 0.00 36.82 38.54 1gtz h ILE 107 CO 0.48 0.09 0.07 -0.94 0.00 0.00 0.00 178.15 177.85 1gtz s SER 108 N -5.37 6.30 -0.78 1.72 1.04 -1.26 -2.21 113.70 113.14 1gtz s SER 108 Ca -0.14 0.89 -0.22 0.00 0.48 0.00 0.00 55.95 56.96 1gtz s SER 108 Cb 0.05 -2.23 0.08 0.00 0.10 0.00 0.00 66.02 64.03 1gtz s SER 108 CO 0.67 -0.52 1.09 0.21 0.98 0.00 0.00 173.24 175.67 1gtz s ASN 109 N -3.97 6.33 0.55 7.02 3.84 -1.26 -1.85 114.94 125.61 1gtz s ASN 109 Ca 0.47 -1.29 0.25 0.00 0.21 0.00 0.00 52.86 52.50 1gtz s ASN 109 Cb -0.10 -2.44 1.49 0.00 -0.55 0.00 0.00 41.25 39.65 1gtz s ASN 109 CO 0.42 -1.38 2.09 0.16 -2.79 0.00 0.00 177.10 175.60 1gtz h ILE 110 N 6.02 0.68 0.00 -5.21 3.07 -1.92 -1.89 117.51 118.26 1gtz h ILE 110 Ca -0.11 0.00 0.00 0.00 1.55 0.00 0.00 64.86 66.30 1gtz h ILE 110 Cb 1.05 0.85 0.00 0.00 -0.27 0.00 0.00 36.82 38.45 1gtz h ILE 110 CO 1.20 0.00 0.00 0.45 -1.05 0.00 0.00 178.15 178.75 1gtz h HIS 111 N 0.00 0.00 -0.01 0.16 3.86 -1.89 -2.07 115.15 115.20 1gtz h HIS 111 Ca 0.11 0.00 0.00 0.00 -1.16 0.00 0.00 60.37 59.32 1gtz h HIS 111 Cb 0.52 0.00 0.00 0.00 1.06 0.00 0.00 27.41 28.99 1gtz h HIS 111 CO 0.00 0.00 -0.20 1.04 0.86 0.00 0.00 177.93 179.63 1gtz n GLN 112 N -2.78 1.21 0.00 2.45 6.02 -0.71 -4.96 117.38 118.61 1gtz n GLN 112 Ca 0.00 -0.79 0.00 0.00 -0.01 0.00 0.00 57.00 56.20 1gtz n GLN 112 Cb 0.21 -1.48 0.00 0.00 1.02 0.00 0.00 30.24 29.99 1gtz n GLN 112 CO 0.00 0.00 0.00 0.54 -1.01 0.00 0.00 177.06 176.59 1gtz n ARG 113 N -0.20 3.24 -1.77 -1.09 1.74 -0.78 -5.07 116.66 112.74 1gtz n ARG 113 Ca 0.14 0.00 -0.35 0.00 -0.77 0.00 0.00 57.85 56.86 1gtz n ARG 113 Cb 0.39 0.00 0.06 0.00 -1.02 0.00 0.00 32.46 31.88 1gtz n ARG 113 CO 0.00 0.00 0.00 -1.21 -1.52 0.00 0.00 177.63 174.90 1gtz s GLU 114 N 3.22 2.64 0.52 5.56 8.01 -1.26 -4.90 118.70 132.48 1gtz s GLU 114 Ca 0.00 1.80 0.19 0.00 0.01 0.00 0.00 54.97 56.97 1gtz s GLU 114 Cb 0.00 -1.89 1.34 0.00 -4.31 0.00 0.00 34.13 29.27 1gtz s GLU 114 CO 0.00 -1.46 2.14 -1.35 0.01 0.00 0.00 175.26 174.60 1gtz h PRO 115 N 0.39 0.00 0.00 0.39 0.11 -1.97 0.45 132.00 131.37 1gtz h PRO 115 Ca -0.49 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.62 1gtz h PRO 115 Cb 1.30 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.41 1gtz h PRO 115 CO 0.53 0.04 0.00 0.27 -0.21 0.00 0.00 178.00 178.63 1gtz h PHE 116 N 0.00 0.00 -0.00 0.65 -5.15 -1.98 -1.14 116.94 109.33 1gtz h PHE 116 Ca -0.00 0.00 0.00 0.00 -0.20 0.00 0.00 57.97 57.77 1gtz h PHE 116 Cb 0.08 0.00 0.00 0.00 0.22 0.00 0.00 35.95 36.25 1gtz h PHE 116 CO 0.00 0.00 -0.17 0.54 -2.00 0.00 0.00 178.31 176.68 1gtz n ARG 117 N -3.04 0.19 0.21 6.09 1.74 0.15 -4.32 116.66 117.68 1gtz n ARG 117 Ca -0.00 -0.06 0.07 0.00 -0.77 0.00 0.00 57.85 57.09 1gtz n ARG 117 Cb 0.23 -1.50 0.47 0.00 -1.02 0.00 0.00 32.46 30.64 1gtz n ARG 117 CO 0.00 0.00 0.00 0.45 -1.52 0.00 0.00 177.63 176.56 1gtz h HIS 118 N 0.14 0.00 -3.37 -1.55 3.86 -1.26 -3.44 115.15 109.54 1gtz h HIS 118 Ca 0.00 0.00 -0.65 0.00 -1.16 0.00 0.00 60.37 58.56 1gtz h HIS 118 Cb 0.46 0.00 -0.22 0.00 1.06 0.00 0.00 27.41 28.71 1gtz h HIS 118 CO 0.00 0.28 -0.69 -1.58 0.86 0.00 0.00 177.93 176.81 1gtz s HIS 119 N -3.93 2.98 -0.16 2.45 5.65 -1.26 -4.89 115.29 116.12 1gtz s HIS 119 Ca -0.01 -0.29 0.00 0.00 0.25 0.00 0.00 55.06 55.01 1gtz s HIS 119 Cb 0.12 -1.89 0.00 0.00 -1.18 0.00 0.00 32.58 29.63 1gtz s HIS 119 CO 0.66 0.01 -0.16 0.45 -0.65 0.00 0.00 174.74 175.05 1gtz s SER 120 N 0.14 3.58 0.24 9.88 0.15 -1.26 -4.23 113.70 122.20 1gtz s SER 120 Ca -0.02 -0.50 -0.07 0.00 0.70 0.00 0.00 55.95 56.06 1gtz s SER 120 Cb -0.14 -1.55 0.23 0.00 -1.71 0.00 0.00 66.02 62.85 1gtz s SER 120 CO 0.03 0.07 1.90 1.88 1.20 0.00 0.00 173.24 178.32 1gtz h TYR 121 N 7.45 1.23 -0.93 3.44 -1.99 -1.41 -2.87 116.97 121.88 1gtz h TYR 121 Ca -0.35 0.01 0.01 0.00 2.00 0.00 0.00 58.73 60.40 1gtz h TYR 121 Cb 1.18 -0.41 -0.05 0.00 2.00 0.00 0.00 36.73 39.46 1gtz h TYR 121 CO 0.50 0.80 0.61 0.28 -0.00 0.00 0.00 178.16 180.36 1gtz h VAL 122 N 1.30 1.24 -0.24 -2.88 2.07 -1.86 -2.84 116.25 113.04 1gtz h VAL 122 Ca 0.34 -0.43 0.07 0.00 0.82 0.00 0.00 66.70 67.50 1gtz h VAL 122 Cb -0.10 -0.13 -0.01 0.00 -1.52 0.00 0.00 31.29 29.54 1gtz h VAL 122 CO -0.07 0.23 0.48 0.77 0.02 0.00 0.00 177.57 179.00 1gtz h SER 123 N 1.26 0.00 1.11 0.57 4.64 -1.86 -0.20 113.55 119.06 1gtz h SER 123 Ca 0.34 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.66 1gtz h SER 123 Cb -0.15 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 61.94 1gtz h SER 123 CO -0.07 0.00 0.00 0.00 -0.87 0.00 0.00 176.83 175.89 1gtz n GLN 124 N -3.23 0.19 -0.03 4.77 1.13 -1.07 -3.62 117.38 115.53 1gtz n GLN 124 Ca 0.04 0.26 -0.02 0.00 -1.94 0.00 0.00 57.00 55.34 1gtz n GLN 124 Cb 0.59 -1.77 -0.06 0.00 0.11 0.00 0.00 30.24 29.12 1gtz n GLN 124 CO 0.00 0.00 0.00 -2.13 -1.44 0.00 0.00 177.06 173.49 1gtz n ARG 125 N -2.12 2.37 -1.87 -1.09 3.00 -0.53 -5.02 116.66 111.41 1gtz n ARG 125 Ca 0.04 -0.02 -0.40 0.00 -0.00 0.00 0.00 57.85 57.48 1gtz n ARG 125 Cb 0.34 -1.18 0.00 0.00 0.00 0.00 0.00 32.46 31.62 1gtz n ARG 125 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.63 177.63 1gtz s ALA 126 N -2.24 3.36 0.16 5.13 0.00 -0.20 -4.88 121.76 123.09 1gtz s ALA 126 Ca -0.03 1.44 -0.11 0.00 0.00 0.00 0.00 51.96 53.26 1gtz s ALA 126 Cb 0.03 -3.57 0.03 0.00 0.00 0.00 0.00 23.12 19.60 1gtz s ALA 126 CO 0.29 -1.05 1.60 -0.44 0.00 0.00 0.00 175.76 176.16 1gtz h ASP 127 N 2.67 0.95 -4.35 0.00 3.32 -1.11 -3.46 116.42 114.44 1gtz h ASP 127 Ca -0.50 -0.33 -0.27 0.00 0.02 0.00 0.00 57.03 55.95 1gtz h ASP 127 Cb 1.25 -0.26 -0.15 0.00 0.22 0.00 0.00 39.33 40.39 1gtz h ASP 127 CO 0.63 1.05 -0.71 -0.83 -1.72 0.00 0.00 179.24 177.66 1gtz s GLY 128 N -3.54 0.88 -0.07 2.75 0.00 -1.19 -5.06 107.32 101.10 1gtz s GLY 128 Ca -0.12 -1.38 -0.03 0.00 0.00 0.00 0.00 44.72 43.19 1gtz s GLY 128 CO 0.84 -1.48 0.13 0.14 0.00 0.00 0.00 173.10 172.73 1gtz s VAL 129 N -3.39 -0.15 -0.11 1.40 1.01 -1.26 -1.68 120.40 116.22 1gtz s VAL 129 Ca 0.13 0.28 0.03 0.00 0.00 0.00 0.00 61.98 62.42 1gtz s VAL 129 Cb 0.03 -0.24 -0.00 0.00 0.00 0.00 0.00 36.38 36.17 1gtz s VAL 129 CO -0.02 0.12 -0.22 -0.69 0.00 0.00 0.00 175.10 174.29 1gtz s VAL 130 N 1.72 2.27 0.00 2.92 1.01 -0.29 -4.99 120.40 123.05 1gtz s VAL 130 Ca -0.03 -0.94 0.00 0.00 0.00 0.00 0.00 61.98 61.01 1gtz s VAL 130 Cb -0.12 -1.89 -0.00 0.00 0.00 0.00 0.00 36.38 34.37 1gtz s VAL 130 CO -0.05 0.55 -0.01 0.00 0.00 0.00 0.00 175.10 175.59 1gtz s ALA 131 N 0.37 0.07 -0.09 5.51 0.00 -1.26 -1.15 121.76 125.22 1gtz s ALA 131 Ca -0.17 -0.10 0.00 0.00 0.00 0.00 0.00 51.96 51.70 1gtz s ALA 131 Cb -0.17 0.00 0.00 0.00 0.00 0.00 0.00 23.12 22.95 1gtz s ALA 131 CO 0.08 -0.00 0.00 0.41 0.00 0.00 0.00 175.76 176.24 1gtz n GLY 132 N 2.89 0.39 2.12 0.00 0.00 -0.71 -4.76 105.19 105.12 1gtz n GLY 132 Ca -0.13 -0.08 -0.15 0.00 0.00 0.00 0.00 46.02 45.66 1gtz n GLY 132 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1gtz n GLY 134 N -0.61 0.26 0.18 0.00 0.00 -0.94 -2.95 105.19 101.14 1gtz n GLY 134 Ca 0.50 -0.93 0.13 0.00 0.00 0.00 0.00 46.02 45.72 1gtz n GLY 134 CO 0.00 0.00 0.00 -0.39 0.00 0.00 0.00 173.32 172.93 1gtz h VAL 135 N 0.00 0.00 -0.59 1.61 -1.51 -1.89 -2.47 116.25 111.40 1gtz h VAL 135 Ca 0.00 -0.64 0.13 0.00 -1.23 0.00 0.00 66.70 64.96 1gtz h VAL 135 Cb 0.00 1.61 -0.03 0.00 -2.13 0.00 0.00 31.29 30.73 1gtz h VAL 135 CO 0.00 0.00 0.41 -0.61 -1.23 0.00 0.00 177.57 176.14 1gtz h GLN 136 N 0.00 0.23 -0.01 5.19 4.15 -1.96 -1.43 115.11 121.28 1gtz h GLN 136 Ca 0.00 -0.01 0.00 0.00 0.77 0.00 0.00 58.65 59.41 1gtz h GLN 136 Cb 0.75 -0.05 -0.00 0.00 0.21 0.00 0.00 27.48 28.39 1gtz h GLN 136 CO 0.00 0.15 0.13 0.78 -1.93 0.00 0.00 178.83 177.96 1gtz h GLY 137 N 0.24 0.00 1.11 2.39 0.00 -1.32 -0.31 103.07 105.17 1gtz h GLY 137 Ca 0.28 0.00 -0.16 0.00 0.00 0.00 0.00 47.33 47.46 1gtz h GLY 137 CO -0.06 0.00 -0.38 -0.97 0.00 0.00 0.00 176.54 175.13 1gtz h TYR 138 N 0.00 1.09 -0.21 5.60 -1.99 -1.48 -0.79 116.97 119.18 1gtz h TYR 138 Ca 0.00 -0.33 0.01 0.00 2.00 0.00 0.00 58.73 60.42 1gtz h TYR 138 Cb 0.26 -0.23 -0.02 0.00 2.00 0.00 0.00 36.73 38.75 1gtz h TYR 138 CO 0.00 1.15 0.10 0.28 -0.00 0.00 0.00 178.16 179.69 1gtz h VAL 139 N 0.71 0.99 -0.73 -2.88 2.07 -1.19 -0.75 116.25 114.47 1gtz h VAL 139 Ca 0.06 -0.08 0.05 0.00 0.82 0.00 0.00 66.70 67.55 1gtz h VAL 139 Cb 0.98 0.75 -0.05 0.00 -1.52 0.00 0.00 31.29 31.44 1gtz h VAL 139 CO 0.09 0.04 0.44 -0.26 0.02 0.00 0.00 177.57 177.90 1gtz h PHE 140 N 0.22 0.81 0.10 1.57 0.05 -1.19 -0.91 116.94 117.59 1gtz h PHE 140 Ca 0.09 0.02 0.02 0.00 3.82 0.00 0.00 57.97 61.92 1gtz h PHE 140 Cb 0.03 -0.26 -0.05 0.00 2.00 0.00 0.00 35.95 37.67 1gtz h PHE 140 CO -0.10 0.42 -0.45 0.78 -0.18 0.00 0.00 178.31 178.78 1gtz h GLY 141 N 0.82 -0.93 0.44 -1.45 0.00 -0.68 -0.38 103.07 100.89 1gtz h GLY 141 Ca 0.31 0.55 0.07 0.00 0.00 0.00 0.00 47.33 48.26 1gtz h GLY 141 CO -0.15 -0.27 0.08 -2.08 0.00 0.00 0.00 176.54 174.12 1gtz h VAL 142 N -0.67 0.76 -0.74 4.60 2.07 -0.82 -1.48 116.25 119.97 1gtz h VAL 142 Ca 0.02 -0.07 0.02 0.00 0.82 0.00 0.00 66.70 67.48 1gtz h VAL 142 Cb 0.70 0.53 -0.04 0.00 -1.52 0.00 0.00 31.29 30.97 1gtz h VAL 142 CO -0.27 0.04 0.48 -0.33 0.02 0.00 0.00 177.57 177.51 1gtz h GLU 143 N 0.21 0.94 -0.67 1.57 5.08 -0.95 -0.83 114.58 119.93 1gtz h GLU 143 Ca 0.21 -0.06 -0.08 0.00 -1.00 0.00 0.00 59.36 58.44 1gtz h GLU 143 Cb 0.27 -0.21 -0.03 0.00 0.50 0.00 0.00 28.75 29.28 1gtz h GLU 143 CO -0.28 0.62 0.11 -0.09 -1.00 0.00 0.00 179.01 178.36 1gtz h ARG 144 N 0.96 1.11 -0.61 2.33 9.65 -0.65 -0.68 114.38 126.49 1gtz h ARG 144 Ca 0.28 -0.30 -0.00 0.00 -1.10 0.00 0.00 59.98 58.86 1gtz h ARG 144 Cb -0.06 -0.13 -0.03 0.00 -1.39 0.00 0.00 29.97 28.36 1gtz h ARG 144 CO -0.08 1.01 0.37 0.82 2.80 0.00 0.00 179.97 184.89 1gtz h ILE 145 N 1.03 1.18 -0.04 1.20 1.08 -0.89 -0.03 117.51 121.04 1gtz h ILE 145 Ca 0.20 -0.39 0.01 0.00 -0.39 0.00 0.00 64.86 64.29 1gtz h ILE 145 Cb 0.44 0.34 -0.01 0.00 -3.07 0.00 0.00 36.82 34.53 1gtz h ILE 145 CO 0.01 0.18 -0.02 0.00 -0.69 0.00 0.00 178.15 177.64 1gtz h ALA 146 N 1.19 0.02 -0.95 1.87 0.00 -0.90 0.19 119.26 120.68 1gtz h ALA 146 Ca 0.22 0.02 -0.00 0.00 0.00 0.00 0.00 54.91 55.14 1gtz h ALA 146 Cb -0.03 0.04 -0.05 0.00 0.00 0.00 0.00 17.79 17.76 1gtz h ALA 146 CO -0.04 -0.50 0.58 0.00 0.00 0.00 0.00 179.25 179.29 1gtz h ALA 147 N 1.03 1.23 0.00 0.00 0.00 -0.68 -2.28 119.26 118.56 1gtz h ALA 147 Ca 0.02 -0.10 -0.14 0.00 0.00 0.00 0.00 54.91 54.69 1gtz h ALA 147 Cb 0.04 -0.38 -0.02 0.00 0.00 0.00 0.00 17.79 17.43 1gtz h ALA 147 CO -0.04 0.66 -0.72 -0.07 0.00 0.00 0.00 179.25 179.08 1gtz h LEU 148 N 1.31 0.00 -0.20 0.00 3.38 -0.55 -3.18 115.31 116.07 1gtz h LEU 148 Ca 0.34 0.00 -0.18 0.00 0.09 0.00 0.00 57.88 58.13 1gtz h LEU 148 Cb -0.07 0.00 -0.03 0.00 0.09 0.00 0.00 40.66 40.65 1gtz h LEU 148 CO -0.07 0.63 -0.85 0.00 0.09 0.00 0.00 178.44 178.25 1gtz h ALA 149 N 1.37 0.54 0.00 1.53 0.00 -0.61 -3.49 119.26 118.59 1gtz h ALA 149 Ca -0.02 -0.77 0.00 0.00 0.00 0.00 0.00 54.91 54.11 1gtz h ALA 149 Cb 1.50 -0.14 0.00 0.00 0.00 0.00 0.00 17.79 19.16 1gtz h ALA 149 CO 0.08 1.06 0.00 0.41 0.00 0.00 0.00 179.25 180.80