#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 5.30 0.44 0.55 1.04 -1.26 -4.75 113.70 115.01 1gtz s SER 3 Ca 0.00 0.96 0.16 0.00 0.48 0.00 0.00 55.95 57.55 1gtz s SER 3 Cb 0.00 -1.74 0.99 0.00 0.10 0.00 0.00 66.02 65.37 1gtz s SER 3 CO 0.00 -1.39 1.96 -0.07 0.98 0.00 0.00 173.24 174.72 1gtz h LEU 4 N -0.62 0.00 -0.84 2.42 4.07 -1.88 -2.47 115.31 115.98 1gtz h LEU 4 Ca -0.45 0.00 -0.12 0.00 0.08 0.00 0.00 57.88 57.39 1gtz h LEU 4 Cb 1.27 0.00 -0.01 0.00 1.08 0.00 0.00 40.66 42.99 1gtz h LEU 4 CO 0.63 0.22 -0.54 0.00 -1.08 0.00 0.00 178.44 177.68 1gtz h ALA 5 N 1.78 1.03 0.00 1.53 0.00 -1.88 -3.28 119.26 118.44 1gtz h ALA 5 Ca -0.00 -0.50 -0.17 0.00 0.00 0.00 0.00 54.91 54.24 1gtz h ALA 5 Cb 0.42 -0.09 -0.03 0.00 0.00 0.00 0.00 17.79 18.09 1gtz h ALA 5 CO 0.03 0.68 -0.94 -0.91 0.00 0.00 0.00 179.25 178.11 1gtz h ASN 6 N 0.08 0.00 -5.00 0.00 -0.26 -1.81 -3.48 115.58 105.10 1gtz h ASN 6 Ca -0.00 0.00 -0.08 0.00 -0.56 0.00 0.00 56.30 55.66 1gtz h ASN 6 Cb 0.98 0.00 -0.19 0.00 -1.06 0.00 0.00 38.32 38.06 1gtz h ASN 6 CO 0.08 0.72 -0.04 0.00 -1.06 0.00 0.00 177.43 177.13 1gtz s ALA 7 N -2.84 -1.25 0.66 -0.83 0.00 -1.02 -4.99 121.76 111.49 1gtz s ALA 7 Ca 0.01 0.71 -0.15 0.00 0.00 0.00 0.00 51.96 52.53 1gtz s ALA 7 Cb 0.09 0.14 0.00 0.00 0.00 0.00 0.00 23.12 23.35 1gtz s ALA 7 CO 0.79 -0.37 1.13 -1.25 0.00 0.00 0.00 175.76 176.06 1gtz s PRO 8 N -1.63 2.75 -0.10 0.00 0.04 -1.26 -4.29 135.00 130.52 1gtz s PRO 8 Ca -0.10 1.46 -0.30 0.00 0.04 0.00 0.00 61.00 62.11 1gtz s PRO 8 Cb -0.02 -1.94 -0.01 0.00 0.04 0.00 0.00 34.50 32.57 1gtz s PRO 8 CO 0.04 -1.30 1.03 0.42 0.04 0.00 0.00 177.00 177.23 1gtz s ILE 9 N -2.24 4.72 -0.15 0.56 1.01 -0.11 -1.38 121.20 123.62 1gtz s ILE 9 Ca 0.69 1.99 -0.26 0.00 0.00 0.00 0.00 60.65 63.06 1gtz s ILE 9 Cb -0.22 -4.28 -0.01 0.00 0.01 0.00 0.00 42.46 37.96 1gtz s ILE 9 CO 0.41 0.01 0.88 -0.32 0.00 0.00 0.00 174.94 175.91 1gtz s MET 10 N 2.00 4.34 -0.37 2.79 -2.45 -0.41 -1.40 119.30 123.80 1gtz s MET 10 Ca 0.49 1.12 -0.04 0.00 -1.25 0.00 0.00 55.69 56.02 1gtz s MET 10 Cb -0.19 -3.56 0.08 0.00 1.25 0.00 0.00 34.83 32.41 1gtz s MET 10 CO 0.19 -0.31 0.14 0.42 1.05 0.00 0.00 175.02 176.51 1gtz s ILE 11 N 2.06 3.39 -0.10 10.11 1.01 -0.51 -1.18 121.20 135.98 1gtz s ILE 11 Ca 0.41 -1.66 -0.01 0.00 0.00 0.00 0.00 60.65 59.38 1gtz s ILE 11 Cb -0.17 -3.14 -0.03 0.00 0.01 0.00 0.00 42.46 39.13 1gtz s ILE 11 CO 0.14 -0.44 -0.04 -0.76 0.00 0.00 0.00 174.94 173.84 1gtz s LEU 12 N 1.24 3.29 -0.09 2.97 1.43 0.71 -1.05 118.68 127.18 1gtz s LEU 12 Ca 0.03 -0.02 0.02 0.00 -1.03 0.00 0.00 54.13 53.13 1gtz s LEU 12 Cb -0.22 -1.75 0.01 0.00 0.03 0.00 0.00 46.19 44.27 1gtz s LEU 12 CO -0.02 0.30 -0.17 0.20 0.23 0.00 0.00 176.35 176.90 1gtz s ASN 13 N -0.44 2.40 0.15 2.29 0.01 -0.70 -0.65 114.94 118.01 1gtz s ASN 13 Ca 0.07 -0.42 0.00 0.00 -0.71 0.00 0.00 52.86 51.80 1gtz s ASN 13 Cb -0.12 -1.09 0.00 0.00 0.41 0.00 0.00 41.25 40.45 1gtz s ASN 13 CO 0.02 0.06 0.00 0.61 -1.51 0.00 0.00 177.10 176.28 1gtz n GLY 14 N 3.90 -0.61 3.76 0.66 0.00 0.67 -0.88 105.19 112.68 1gtz n GLY 14 Ca -0.20 -1.67 -0.35 0.00 0.00 0.00 0.00 46.02 43.80 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 -0.29 2.92 0.00 1.61 0.04 -1.12 -3.02 135.00 135.13 1gtz s PRO 15 Ca 0.00 1.70 0.00 0.00 0.04 0.00 0.00 61.00 62.74 1gtz s PRO 15 Cb 0.00 -1.94 0.00 0.00 0.04 0.00 0.00 34.50 32.60 1gtz s PRO 15 CO 0.00 -1.22 0.00 0.09 0.04 0.00 0.00 177.00 175.91 1gtz n ASN 16 N -1.81 0.00 0.05 6.66 3.02 -1.26 -4.52 115.26 117.39 1gtz n ASN 16 Ca 0.13 0.00 0.11 0.00 -0.03 0.00 0.00 54.58 54.79 1gtz n ASN 16 Cb 0.50 -0.85 0.46 0.00 -0.61 0.00 0.00 39.78 39.29 1gtz n ASN 16 CO 0.00 0.00 0.00 0.18 -2.62 0.00 0.00 177.26 174.82 1gtz n LEU 17 N 0.00 0.31 0.24 3.41 4.77 -1.17 -2.01 117.00 122.54 1gtz n LEU 17 Ca 0.00 0.55 0.12 0.00 -0.03 0.00 0.00 56.01 56.65 1gtz n LEU 17 Cb 0.00 -0.48 0.75 0.00 -2.33 0.00 0.00 43.42 41.36 1gtz n LEU 17 CO 0.00 -0.22 1.11 -0.55 -1.33 0.00 0.00 177.39 176.40 1gtz h ASN 18 N 0.00 0.00 -0.44 -1.43 -1.07 -1.88 -1.29 115.58 109.48 1gtz h ASN 18 Ca 0.00 0.00 0.00 0.00 0.07 0.00 0.00 56.30 56.37 1gtz h ASN 18 Cb 0.46 0.00 0.00 0.00 -2.07 0.00 0.00 38.32 36.71 1gtz h ASN 18 CO 0.00 0.00 0.00 0.18 0.07 0.00 0.00 177.43 177.68 1gtz n LEU 19 N -4.23 3.06 -4.71 6.14 4.77 -0.85 -4.86 117.00 116.31 1gtz n LEU 19 Ca -0.01 -1.54 -0.43 0.00 -0.03 0.00 0.00 56.01 54.00 1gtz n LEU 19 Cb 0.17 -0.42 -0.03 0.00 -2.33 0.00 0.00 43.42 40.81 1gtz n LEU 19 CO 0.32 0.59 1.36 -0.11 -1.33 0.00 0.00 177.39 178.21 1gtz n LEU 20 N 0.72 3.91 0.00 2.23 7.94 -0.49 -1.02 117.00 130.30 1gtz n LEU 20 Ca 0.17 1.06 0.00 0.00 -1.11 0.00 0.00 56.01 56.13 1gtz n LEU 20 Cb 0.56 -1.56 0.00 0.00 0.53 0.00 0.00 43.42 42.95 1gtz n LEU 20 CO 0.14 0.14 0.00 0.61 -1.11 0.00 0.00 177.39 177.17 1gtz n GLY 21 N 3.92 3.20 0.09 -3.96 0.00 -1.14 -4.08 105.19 103.22 1gtz n GLY 21 Ca 0.16 0.00 -0.11 0.00 0.00 0.00 0.00 46.02 46.07 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 -2.00 0.88 -4.41 1.61 6.02 -0.19 -4.66 117.38 114.63 1gtz n GLN 22 Ca 0.00 0.07 -0.30 0.00 -0.01 0.00 0.00 57.00 56.76 1gtz n GLN 22 Cb 0.00 -1.38 -0.11 0.00 1.02 0.00 0.00 30.24 29.77 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 -2.37 2.73 -1.12 -1.58 0.00 -0.93 -4.79 121.76 113.70 1gtz s ALA 23 Ca -0.19 -1.26 -0.32 0.00 0.00 0.00 0.00 51.96 50.19 1gtz s ALA 23 Cb 0.06 -0.76 0.04 0.00 0.00 0.00 0.00 23.12 22.46 1gtz s ALA 23 CO 0.50 0.60 0.63 1.04 0.00 0.00 0.00 175.76 178.53 1gtz n GLN 24 N 1.06 -0.29 0.22 0.00 6.02 -1.26 -4.75 117.38 118.38 1gtz n GLN 24 Ca -0.15 0.03 0.07 0.00 -0.01 0.00 0.00 57.00 56.94 1gtz n GLN 24 Cb 0.52 -2.18 0.51 0.00 1.02 0.00 0.00 30.24 30.11 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 -2.21 0.00 0.00 -1.09 0.13 -1.87 -0.55 132.00 126.41 1gtz h PRO 25 Ca -0.67 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.46 1gtz h PRO 25 Cb 1.31 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.44 1gtz h PRO 25 CO 0.48 0.25 0.00 1.05 -0.23 0.00 0.00 178.00 179.55 1gtz h GLU 26 N 0.00 0.00 0.00 0.86 9.09 -1.88 0.19 114.58 122.84 1gtz h GLU 26 Ca -0.00 0.00 -0.42 0.00 0.05 0.00 0.00 59.36 58.99 1gtz h GLU 26 Cb 0.53 0.00 -0.06 0.00 -1.65 0.00 0.00 28.75 27.56 1gtz h GLU 26 CO 0.03 0.00 -2.34 -0.89 0.05 0.00 0.00 179.01 175.86 1gtz n ILE 27 N -3.04 1.53 0.51 -1.06 5.41 -0.35 -4.77 119.36 117.60 1gtz n ILE 27 Ca 0.00 -0.38 0.06 0.00 1.00 0.00 0.00 62.75 63.43 1gtz n ILE 27 Cb 0.28 -1.82 0.01 0.00 -0.71 0.00 0.00 39.64 37.40 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 -4.08 0.00 0.00 1.39 4.02 -0.44 -4.68 117.16 113.36 1gtz n TYR 28 Ca -0.49 0.00 0.00 0.00 -0.01 0.00 0.00 57.90 57.40 1gtz n TYR 28 Cb 0.88 0.00 0.00 0.00 -0.02 0.00 0.00 39.34 40.20 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 0.91 0.15 0.50 2.72 0.00 0.64 -4.75 105.19 105.36 1gtz n GLY 29 Ca 0.05 -2.02 0.06 0.00 0.00 0.00 0.00 46.02 44.11 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 -0.18 2.06 -4.79 1.61 7.64 -1.26 -3.79 113.62 114.91 1gtz n SER 30 Ca 0.00 -1.53 -0.35 0.00 1.01 0.00 0.00 58.87 58.00 1gtz n SER 30 Cb 0.00 -0.01 -0.05 0.00 -1.01 0.00 0.00 64.21 63.14 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 -1.03 6.91 0.61 6.43 1.01 -1.26 -4.64 116.67 124.70 1gtz s ASP 31 Ca 0.15 1.88 0.04 0.00 0.71 0.00 0.00 52.55 55.33 1gtz s ASP 31 Cb 0.10 -2.57 0.08 0.00 1.01 0.00 0.00 42.92 41.55 1gtz s ASP 31 CO 0.16 -0.38 0.84 0.42 0.21 0.00 0.00 175.17 176.42 1gtz s THR 32 N -1.81 2.34 0.33 -1.27 -4.23 -1.26 -2.90 115.64 106.83 1gtz s THR 32 Ca 0.58 -0.78 0.15 0.00 -1.18 0.00 0.00 61.69 60.46 1gtz s THR 32 Cb -0.17 -2.57 0.10 0.00 1.34 0.00 0.00 72.50 71.20 1gtz s THR 32 CO 0.22 0.00 1.80 0.25 -0.54 0.00 0.00 174.62 176.35 1gtz h LEU 33 N -0.07 0.00 -0.37 4.79 5.85 -1.84 -0.31 115.31 123.35 1gtz h LEU 33 Ca -0.36 0.00 -0.09 0.00 0.84 0.00 0.00 57.88 58.27 1gtz h LEU 33 Cb 1.28 0.00 -0.01 0.00 0.37 0.00 0.00 40.66 42.30 1gtz h LEU 33 CO 0.43 0.39 -0.11 0.00 -0.34 0.00 0.00 178.44 178.81 1gtz h ALA 34 N 1.61 0.52 -0.40 1.25 0.00 -1.94 -1.10 119.26 119.21 1gtz h ALA 34 Ca -0.00 -0.32 0.05 0.00 0.00 0.00 0.00 54.91 54.63 1gtz h ALA 34 Cb 0.74 -0.13 -0.04 0.00 0.00 0.00 0.00 17.79 18.35 1gtz h ALA 34 CO 0.05 0.40 0.14 -0.44 0.00 0.00 0.00 179.25 179.40 1gtz h ASP 35 N 0.54 0.16 -0.43 0.00 3.32 -1.65 -1.95 116.42 116.40 1gtz h ASP 35 Ca 0.09 0.04 0.00 0.00 0.02 0.00 0.00 57.03 57.19 1gtz h ASP 35 Cb 0.63 0.02 -0.02 0.00 0.22 0.00 0.00 39.33 40.19 1gtz h ASP 35 CO 0.04 0.13 0.28 0.58 -1.72 0.00 0.00 179.24 178.55 1gtz h VAL 36 N 0.31 1.12 -0.31 -1.35 2.07 -0.71 -2.43 116.25 114.95 1gtz h VAL 36 Ca 0.18 -0.23 0.00 0.00 0.82 0.00 0.00 66.70 67.48 1gtz h VAL 36 Cb 0.16 0.49 -0.02 0.00 -1.52 0.00 0.00 31.29 30.40 1gtz h VAL 36 CO -0.18 0.11 0.21 -0.08 0.02 0.00 0.00 177.57 177.65 1gtz h GLU 37 N 0.59 0.41 -0.51 1.57 4.81 -0.95 -1.80 114.58 118.69 1gtz h GLU 37 Ca 0.16 -0.02 0.08 0.00 -0.13 0.00 0.00 59.36 59.44 1gtz h GLU 37 Cb -0.05 -0.09 -0.06 0.00 0.63 0.00 0.00 28.75 29.17 1gtz h GLU 37 CO -0.03 0.27 0.17 0.00 -0.73 0.00 0.00 179.01 178.68 1gtz h ALA 38 N 1.12 0.63 -0.55 2.92 0.00 -1.05 0.37 119.26 122.70 1gtz h ALA 38 Ca 0.12 0.08 0.09 0.00 0.00 0.00 0.00 54.91 55.19 1gtz h ALA 38 Cb -0.05 0.06 -0.07 0.00 0.00 0.00 0.00 17.79 17.74 1gtz h ALA 38 CO -0.03 -0.23 0.15 -0.07 0.00 0.00 0.00 179.25 179.07 1gtz h LEU 39 N 0.34 0.09 -0.20 0.00 3.38 -1.12 -1.90 115.31 115.90 1gtz h LEU 39 Ca 0.25 0.09 -0.04 0.00 0.09 0.00 0.00 57.88 58.27 1gtz h LEU 39 Cb 0.29 0.10 -0.01 0.00 0.09 0.00 0.00 40.66 41.13 1gtz h LEU 39 CO -0.27 0.07 -0.03 0.00 0.09 0.00 0.00 178.44 178.30 1gtz h VAL 41 N 0.11 0.88 -0.25 0.00 2.07 -0.71 -1.59 116.25 116.76 1gtz h VAL 41 Ca 0.05 -0.25 -0.08 0.00 0.82 0.00 0.00 66.70 67.24 1gtz h VAL 41 Cb 0.46 0.08 -0.01 0.00 -1.52 0.00 0.00 31.29 30.31 1gtz h VAL 41 CO 0.02 0.13 -0.16 0.50 0.02 0.00 0.00 177.57 178.08 1gtz h LYS 42 N 0.74 0.56 -0.66 1.57 3.64 -1.25 -0.64 116.57 120.53 1gtz h LYS 42 Ca 0.39 -0.26 -0.06 0.00 -1.27 0.00 0.00 60.65 59.45 1gtz h LYS 42 Cb 0.38 -0.01 -0.03 0.00 -0.41 0.00 0.00 32.23 32.16 1gtz h LYS 42 CO -0.26 0.83 0.19 0.00 -2.27 0.00 0.00 179.45 177.94 1gtz h ALA 43 N 0.71 1.09 -0.30 5.00 0.00 -1.04 -2.46 119.26 122.26 1gtz h ALA 43 Ca 0.05 -0.22 -0.13 0.00 0.00 0.00 0.00 54.91 54.61 1gtz h ALA 43 Cb 0.69 -0.26 -0.01 0.00 0.00 0.00 0.00 17.79 18.21 1gtz h ALA 43 CO 0.04 0.62 -0.36 0.00 0.00 0.00 0.00 179.25 179.55 1gtz h ALA 44 N 1.22 0.80 -0.14 0.00 0.00 -1.12 -3.10 119.26 116.92 1gtz h ALA 44 Ca 0.21 -0.43 -0.06 0.00 0.00 0.00 0.00 54.91 54.64 1gtz h ALA 44 Cb 0.30 -0.12 -0.01 0.00 0.00 0.00 0.00 17.79 17.96 1gtz h ALA 44 CO -0.01 0.65 -0.18 0.00 0.00 0.00 0.00 179.25 179.72 1gtz h ALA 45 N 1.02 1.44 0.00 0.00 0.00 -0.65 0.67 119.26 121.74 1gtz h ALA 45 Ca 0.06 -0.24 -0.01 0.00 0.00 0.00 0.00 54.91 54.72 1gtz h ALA 45 Cb 0.88 -0.09 -0.00 0.00 0.00 0.00 0.00 17.79 18.59 1gtz h ALA 45 CO 0.08 0.39 -0.03 0.00 0.00 0.00 0.00 179.25 179.69 1gtz h ALA 46 N 1.60 1.12 -0.43 0.00 0.00 -1.42 -1.71 119.26 118.43 1gtz h ALA 46 Ca 0.04 -0.03 0.00 0.00 0.00 0.00 0.00 54.91 54.92 1gtz h ALA 46 Cb 0.45 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.23 1gtz h ALA 46 CO 0.03 0.04 0.00 0.72 0.00 0.00 0.00 179.25 180.04 1gtz n HIS 47 N -3.30 0.93 -2.12 0.00 8.25 0.06 -4.94 115.22 114.10 1gtz n HIS 47 Ca -0.02 -0.64 -0.13 0.00 -0.26 0.00 0.00 57.72 56.68 1gtz n HIS 47 Cb 0.18 -0.17 -0.01 0.00 1.12 0.00 0.00 29.99 31.10 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 0.46 0.05 3.64 -1.41 0.00 -0.64 -4.83 105.19 102.46 1gtz n GLY 48 Ca 0.19 -0.36 -0.32 0.00 0.00 0.00 0.00 46.02 45.53 1gtz n GLY 48 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1gtz n GLY 49 N -1.07 3.53 3.22 -0.02 0.00 -0.24 -4.22 105.19 106.39 1gtz n GLY 49 Ca -0.15 -2.37 -0.13 0.00 0.00 0.00 0.00 46.02 43.38 1gtz n GLY 49 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 1gtz s THR 50 N -2.82 0.38 0.19 2.61 -4.23 -1.26 -3.50 115.64 107.00 1gtz s THR 50 Ca 0.01 -1.96 0.08 0.00 -1.18 0.00 0.00 61.69 58.64 1gtz s THR 50 Cb -0.00 -2.25 -0.04 0.00 1.34 0.00 0.00 72.50 71.55 1gtz s THR 50 CO 0.01 -0.31 -0.16 0.68 -0.54 0.00 0.00 174.62 174.29 1gtz s VAL 51 N -3.87 1.81 -0.39 2.29 -7.23 -1.26 -0.93 120.40 110.81 1gtz s VAL 51 Ca 0.29 -2.09 0.02 0.00 -1.81 0.00 0.00 61.98 58.39 1gtz s VAL 51 Cb 0.07 -1.96 0.11 0.00 0.56 0.00 0.00 36.38 35.16 1gtz s VAL 51 CO 0.06 -0.47 0.14 -0.62 -0.31 0.00 0.00 175.10 173.90 1gtz s ASP 52 N -3.04 4.29 -0.22 4.85 -1.08 -0.49 -4.87 116.67 116.11 1gtz s ASP 52 Ca 0.20 -2.28 -0.08 0.00 -0.52 0.00 0.00 52.55 49.87 1gtz s ASP 52 Cb -0.03 -1.33 -0.04 0.00 -1.46 0.00 0.00 42.92 40.06 1gtz s ASP 52 CO 0.07 -0.34 0.08 0.12 0.52 0.00 0.00 175.17 175.63 1gtz s PHE 53 N 0.75 3.19 0.08 -5.34 5.36 -1.26 -1.43 117.98 119.33 1gtz s PHE 53 Ca 0.13 -0.08 -0.02 0.00 -0.96 0.00 0.00 56.93 56.00 1gtz s PHE 53 Cb -0.21 -2.18 -0.03 0.00 -0.34 0.00 0.00 43.02 40.26 1gtz s PHE 53 CO -0.09 -0.06 0.03 1.03 -1.46 0.00 0.00 175.22 174.67 1gtz s ARG 54 N 0.98 0.72 -0.02 10.12 0.52 -0.22 -4.99 118.95 126.06 1gtz s ARG 54 Ca 0.05 -1.22 -0.03 0.00 -0.52 0.00 0.00 55.73 54.01 1gtz s ARG 54 Cb -0.14 0.24 0.01 0.00 0.52 0.00 0.00 34.95 35.58 1gtz s ARG 54 CO 0.03 -0.17 0.07 -1.14 0.02 0.00 0.00 175.30 174.11 1gtz s GLN 55 N -3.94 0.13 -0.12 3.54 -0.44 -1.26 -1.71 119.66 115.86 1gtz s GLN 55 Ca 0.10 0.02 -0.17 0.00 -2.50 0.00 0.00 55.36 52.81 1gtz s GLN 55 Cb 0.07 0.06 0.04 0.00 -1.64 0.00 0.00 33.01 31.54 1gtz s GLN 55 CO -0.08 -0.02 0.45 0.45 0.50 0.00 0.00 175.29 176.59 1gtz s SER 56 N -0.16 -0.43 0.00 6.67 0.15 -0.06 -4.97 113.70 114.89 1gtz s SER 56 Ca -0.02 0.69 0.27 0.00 0.70 0.00 0.00 55.95 57.59 1gtz s SER 56 Cb -0.02 0.74 0.79 0.00 -1.71 0.00 0.00 66.02 65.82 1gtz s SER 56 CO 0.00 -0.28 1.61 0.59 1.20 0.00 0.00 173.24 176.35 1gtz n ASN 57 N 2.22 0.45 -4.63 5.45 3.02 -1.26 -2.78 115.26 117.72 1gtz n ASN 57 Ca -0.16 -0.20 -0.35 0.00 -0.03 0.00 0.00 54.58 53.84 1gtz n ASN 57 Cb 0.57 0.03 -0.10 0.00 -0.61 0.00 0.00 39.78 39.67 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 -2.87 3.25 0.20 3.10 3.76 -1.26 -4.71 115.29 116.76 1gtz s HIS 58 Ca 0.16 0.06 -0.11 0.00 -0.15 0.00 0.00 55.06 55.01 1gtz s HIS 58 Cb 0.18 -2.11 0.13 0.00 1.11 0.00 0.00 32.58 31.90 1gtz s HIS 58 CO 0.61 0.12 1.87 1.49 -0.85 0.00 0.00 174.74 177.97 1gtz h GLU 59 N 6.85 0.89 -0.18 1.40 4.81 -2.00 -2.36 114.58 123.99 1gtz h GLU 59 Ca -0.37 -0.05 -0.08 0.00 -0.13 0.00 0.00 59.36 58.72 1gtz h GLU 59 Cb 1.17 -0.20 -0.01 0.00 0.63 0.00 0.00 28.75 30.33 1gtz h GLU 59 CO 0.69 0.59 -0.26 0.78 -0.73 0.00 0.00 179.01 180.08 1gtz h GLY 60 N 0.91 0.37 1.33 1.92 0.00 -1.99 -1.40 103.07 104.22 1gtz h GLY 60 Ca 0.25 -0.29 -0.16 0.00 0.00 0.00 0.00 47.33 47.13 1gtz h GLY 60 CO -0.06 0.26 -0.47 -2.09 0.00 0.00 0.00 176.54 174.18 1gtz h GLU 61 N 0.30 0.72 -0.51 4.80 4.81 -1.88 -1.11 114.58 121.71 1gtz h GLU 61 Ca 0.05 -0.41 -0.10 0.00 -0.13 0.00 0.00 59.36 58.76 1gtz h GLU 61 Cb 0.62 0.03 -0.02 0.00 0.63 0.00 0.00 28.75 30.02 1gtz h GLU 61 CO 0.04 1.03 -0.10 -0.07 -0.73 0.00 0.00 179.01 179.19 1gtz h LEU 62 N 0.57 0.93 -0.57 1.64 3.38 -1.28 -0.85 115.31 119.13 1gtz h LEU 62 Ca 0.03 -0.29 -0.04 0.00 0.09 0.00 0.00 57.88 57.67 1gtz h LEU 62 Cb 1.03 -0.25 -0.02 0.00 0.09 0.00 0.00 40.66 41.50 1gtz h LEU 62 CO 0.10 1.05 0.19 0.58 0.09 0.00 0.00 178.44 180.45 1gtz h VAL 63 N 0.84 1.23 -0.40 1.22 2.07 -1.11 -2.12 116.25 117.98 1gtz h VAL 63 Ca 0.14 -0.77 -0.04 0.00 0.82 0.00 0.00 66.70 66.84 1gtz h VAL 63 Cb 0.63 0.67 -0.02 0.00 -1.52 0.00 0.00 31.29 31.05 1gtz h VAL 63 CO 0.04 0.29 0.06 0.44 0.02 0.00 0.00 177.57 178.43 1gtz h ASP 64 N 0.79 0.56 0.37 0.57 3.32 -0.22 -2.14 116.42 119.68 1gtz h ASP 64 Ca 0.18 -0.09 -0.17 0.00 0.02 0.00 0.00 57.03 56.97 1gtz h ASP 64 Cb 0.26 -0.15 -0.01 0.00 0.22 0.00 0.00 39.33 39.65 1gtz h ASP 64 CO -0.01 0.59 -0.70 -0.50 -1.72 0.00 0.00 179.24 176.90 1gtz h TRP 65 N 0.59 0.38 -0.71 4.55 6.55 -0.72 -1.63 115.95 124.96 1gtz h TRP 65 Ca 0.13 -0.17 -0.03 0.00 0.95 0.00 0.00 58.89 59.78 1gtz h TRP 65 Cb 0.28 -0.06 -0.03 0.00 -0.86 0.00 0.00 29.16 28.49 1gtz h TRP 65 CO 0.01 0.89 0.34 0.82 -1.05 0.00 0.00 178.44 179.46 1gtz h ILE 66 N 0.20 1.23 -0.88 1.49 2.04 -1.13 -0.80 117.51 119.65 1gtz h ILE 66 Ca -0.02 -0.65 0.00 0.00 1.00 0.00 0.00 64.86 65.19 1gtz h ILE 66 Cb 1.25 0.35 -0.04 0.00 -0.74 0.00 0.00 36.82 37.64 1gtz h ILE 66 CO 0.11 0.27 0.56 0.45 0.00 0.00 0.00 178.15 179.54 1gtz h HIS 67 N 0.99 1.13 0.04 1.37 3.86 -0.78 -0.91 115.15 120.86 1gtz h HIS 67 Ca 0.24 0.01 -0.00 0.00 -1.16 0.00 0.00 60.37 59.46 1gtz h HIS 67 Cb 0.12 -0.38 0.00 0.00 1.06 0.00 0.00 27.41 28.21 1gtz h HIS 67 CO 0.01 0.74 -0.02 1.49 0.86 0.00 0.00 177.93 181.00 1gtz h GLU 68 N 1.20 -0.05 -0.97 2.45 4.81 -0.83 -2.60 114.58 118.60 1gtz h GLU 68 Ca 0.32 0.00 0.13 0.00 -0.13 0.00 0.00 59.36 59.69 1gtz h GLU 68 Cb -0.09 0.01 -0.09 0.00 0.63 0.00 0.00 28.75 29.21 1gtz h GLU 68 CO -0.06 0.14 0.59 0.00 -0.73 0.00 0.00 179.01 178.95 1gtz h ALA 69 N 0.72 1.49 -0.88 2.92 0.00 -0.90 -1.28 119.26 121.33 1gtz h ALA 69 Ca -0.01 0.04 0.16 0.00 0.00 0.00 0.00 54.91 55.11 1gtz h ALA 69 Cb 0.22 -0.16 -0.10 0.00 0.00 0.00 0.00 17.79 17.75 1gtz h ALA 69 CO 0.01 0.13 0.46 -0.09 0.00 0.00 0.00 179.25 179.76 1gtz h ARG 70 N 0.90 0.60 0.00 0.00 2.43 -0.76 -1.14 114.38 116.41 1gtz h ARG 70 Ca 0.50 -0.04 -0.26 0.00 -0.81 0.00 0.00 59.98 59.38 1gtz h ARG 70 Cb 0.57 -0.13 -0.05 0.00 -0.42 0.00 0.00 29.97 29.94 1gtz h ARG 70 CO -0.30 0.40 -1.70 1.28 -1.51 0.00 0.00 179.97 178.14 1gtz n LEU 71 N -4.88 0.76 0.00 3.80 4.77 -0.84 -4.71 117.00 115.90 1gtz n LEU 71 Ca 0.18 0.35 0.00 0.00 -0.03 0.00 0.00 56.01 56.52 1gtz n LEU 71 Cb 0.48 0.18 0.00 0.00 -2.33 0.00 0.00 43.42 41.74 1gtz n LEU 71 CO 0.20 0.32 0.11 0.59 -1.33 0.00 0.00 177.39 177.29 1gtz n ASN 72 N -2.95 0.45 -4.38 -1.43 3.02 -0.54 -5.08 115.26 104.35 1gtz n ASN 72 Ca -0.16 -0.73 -0.22 0.00 -0.03 0.00 0.00 54.58 53.44 1gtz n ASN 72 Cb 0.99 0.43 -0.11 0.00 -0.61 0.00 0.00 39.78 40.49 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 -0.43 1.96 -1.10 3.10 3.76 -0.46 -4.54 115.29 117.58 1gtz s HIS 73 Ca 0.00 -0.45 0.26 0.00 -0.15 0.00 0.00 55.06 54.71 1gtz s HIS 73 Cb 0.00 -0.92 0.63 0.00 1.11 0.00 0.00 32.58 33.40 1gtz s HIS 73 CO 0.00 0.46 1.50 0.00 -0.85 0.00 0.00 174.74 175.85 1gtz n GLY 75 N 1.48 0.35 2.94 0.00 0.00 -1.26 -4.54 105.19 104.14 1gtz n GLY 75 Ca 0.07 -0.93 -0.17 0.00 0.00 0.00 0.00 46.02 44.98 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 0.46 -0.22 -0.61 1.01 -0.10 -1.28 121.20 118.46 1gtz s ILE 76 Ca 0.00 -0.19 -0.03 0.00 0.00 0.00 0.00 60.65 60.43 1gtz s ILE 76 Cb 0.00 -0.43 0.00 0.00 0.01 0.00 0.00 42.46 42.04 1gtz s ILE 76 CO 0.00 0.16 -0.07 -0.69 0.00 0.00 0.00 174.94 174.34 1gtz s VAL 77 N 0.24 3.09 -0.03 2.92 1.01 -0.32 -1.50 120.40 125.81 1gtz s VAL 77 Ca -0.03 -0.67 0.02 0.00 0.00 0.00 0.00 61.98 61.31 1gtz s VAL 77 Cb -0.07 -2.43 0.01 0.00 0.00 0.00 0.00 36.38 33.89 1gtz s VAL 77 CO -0.00 0.39 -0.07 -0.51 0.00 0.00 0.00 175.10 174.91 1gtz s ILE 78 N 1.42 0.63 -0.44 2.22 2.07 -0.32 -0.20 121.20 126.58 1gtz s ILE 78 Ca 0.05 -0.26 -0.03 0.00 -1.41 0.00 0.00 60.65 58.99 1gtz s ILE 78 Cb -0.15 -0.58 0.12 0.00 0.13 0.00 0.00 42.46 41.98 1gtz s ILE 78 CO -0.05 0.21 0.25 0.21 -1.91 0.00 0.00 174.94 173.65 1gtz s ASN 79 N 0.34 5.29 0.00 4.50 3.84 0.18 -1.40 114.94 127.69 1gtz s ASN 79 Ca -0.05 -2.14 0.16 0.00 0.21 0.00 0.00 52.86 51.05 1gtz s ASN 79 Cb -0.09 -1.85 0.70 0.00 -0.55 0.00 0.00 41.25 39.46 1gtz s ASN 79 CO 0.00 -0.53 1.50 -0.81 -2.79 0.00 0.00 177.10 174.47 1gtz n PRO 80 N 4.46 0.04 0.00 0.43 -0.05 -1.26 -0.23 135.00 138.39 1gtz n PRO 80 Ca -0.01 0.21 0.00 0.00 -0.05 0.00 0.00 63.50 63.65 1gtz n PRO 80 Cb 0.41 -1.50 0.00 0.00 -0.05 0.00 0.00 33.50 32.36 1gtz n PRO 80 CO 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 175.50 175.45 1gtz n ALA 81 N -1.46 0.00 0.29 0.55 0.00 -1.26 -1.95 120.51 116.68 1gtz n ALA 81 Ca 0.04 0.00 0.15 0.00 0.00 0.00 0.00 53.44 53.63 1gtz n ALA 81 Cb 0.18 0.00 0.90 0.00 0.00 0.00 0.00 19.45 20.53 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 -0.84 1.56 0.00 0.00 0.00 -1.94 -0.66 119.26 117.39 1gtz h ALA 82 Ca 0.00 -0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.91 1gtz h ALA 82 Cb 0.00 0.00 0.00 0.00 0.00 0.00 0.00 17.79 17.79 1gtz h ALA 82 CO 0.00 -0.02 0.00 1.88 0.00 0.00 0.00 179.25 181.11 1gtz h TYR 83 N 0.00 0.00 -0.75 0.00 0.99 -1.77 -2.31 116.97 113.13 1gtz h TYR 83 Ca 0.01 0.00 0.15 0.00 2.00 0.00 0.00 58.73 60.89 1gtz h TYR 83 Cb 0.03 0.00 -0.14 0.00 1.00 0.00 0.00 36.73 37.62 1gtz h TYR 83 CO 0.00 0.00 -0.18 0.77 -0.00 0.00 0.00 178.16 178.75 1gtz h SER 84 N 0.00 -0.68 1.62 3.88 0.02 -1.17 0.20 113.55 117.43 1gtz h SER 84 Ca 0.00 0.22 -0.07 0.00 -0.84 0.00 0.00 61.79 61.11 1gtz h SER 84 Cb 0.34 0.46 -0.01 0.00 0.14 0.00 0.00 62.40 63.33 1gtz h SER 84 CO 0.00 -0.24 -0.38 0.45 -1.14 0.00 0.00 176.83 175.52 1gtz h HIS 85 N 0.00 0.00 0.00 3.45 3.86 -1.58 0.16 115.15 121.04 1gtz h HIS 85 Ca 0.36 0.00 0.00 0.00 -1.16 0.00 0.00 60.37 59.57 1gtz h HIS 85 Cb 0.56 0.00 0.00 0.00 1.06 0.00 0.00 27.41 29.03 1gtz h HIS 85 CO -0.59 0.31 -0.40 0.25 0.86 0.00 0.00 177.93 178.37 1gtz n THR 86 N -3.15 0.00 -3.29 2.45 -2.24 -0.99 -4.79 114.28 102.27 1gtz n THR 86 Ca 0.02 -0.21 -0.46 0.00 -2.27 0.00 0.00 64.05 61.13 1gtz n THR 86 Cb 0.66 0.71 -0.03 0.00 -2.10 0.00 0.00 70.33 69.57 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 -1.22 6.52 0.43 3.42 0.15 0.67 -4.81 113.70 118.85 1gtz s SER 87 Ca 0.00 -2.26 0.09 0.00 0.70 0.00 0.00 55.95 54.48 1gtz s SER 87 Cb 0.00 -2.23 0.93 0.00 -1.71 0.00 0.00 66.02 63.01 1gtz s SER 87 CO 0.00 -0.74 2.07 0.58 1.20 0.00 0.00 173.24 176.35 1gtz h VAL 88 N 5.30 1.08 -0.59 4.45 2.07 -1.94 -2.82 116.25 123.80 1gtz h VAL 88 Ca -0.06 -0.16 -0.02 0.00 0.82 0.00 0.00 66.70 67.28 1gtz h VAL 88 Cb 1.06 0.57 -0.03 0.00 -1.52 0.00 0.00 31.29 31.38 1gtz h VAL 88 CO 0.89 0.09 0.27 0.00 0.02 0.00 0.00 177.57 178.84 1gtz h ALA 89 N 1.78 1.36 -0.01 1.67 0.00 -1.97 0.11 119.26 122.19 1gtz h ALA 89 Ca 0.13 -0.13 -0.23 0.00 0.00 0.00 0.00 54.91 54.68 1gtz h ALA 89 Cb -0.03 -0.24 0.01 0.00 0.00 0.00 0.00 17.79 17.53 1gtz h ALA 89 CO -0.03 0.49 -0.94 0.82 0.00 0.00 0.00 179.25 179.60 1gtz h ILE 90 N 0.84 1.38 -0.36 0.00 2.04 -1.85 -1.53 117.51 118.02 1gtz h ILE 90 Ca 0.21 -2.38 0.06 0.00 1.00 0.00 0.00 64.86 63.75 1gtz h ILE 90 Cb 0.11 2.37 -0.05 0.00 -0.74 0.00 0.00 36.82 38.51 1gtz h ILE 90 CO -0.02 0.71 0.03 0.25 0.00 0.00 0.00 178.15 179.12 1gtz h LEU 91 N 0.27 -0.09 -0.69 1.44 5.85 -1.29 -0.65 115.31 120.15 1gtz h LEU 91 Ca -0.08 0.07 -0.13 0.00 0.84 0.00 0.00 57.88 58.58 1gtz h LEU 91 Cb 1.57 0.12 -0.01 0.00 0.37 0.00 0.00 40.66 42.71 1gtz h LEU 91 CO 0.17 -0.01 -0.37 0.44 -0.34 0.00 0.00 178.44 178.32 1gtz h ASP 92 N 0.13 0.61 -0.55 1.25 3.32 -0.60 -0.79 116.42 119.79 1gtz h ASP 92 Ca 0.18 -0.26 0.03 0.00 0.02 0.00 0.00 57.03 56.99 1gtz h ASP 92 Cb 0.23 -0.17 -0.04 0.00 0.22 0.00 0.00 39.33 39.57 1gtz h ASP 92 CO -0.27 0.93 0.33 0.00 -1.72 0.00 0.00 179.24 178.51 1gtz h ALA 93 N 1.10 0.71 0.00 3.45 0.00 -0.83 -2.72 119.26 120.99 1gtz h ALA 93 Ca 0.05 -0.01 -0.06 0.00 0.00 0.00 0.00 54.91 54.89 1gtz h ALA 93 Cb 0.87 -0.15 -0.01 0.00 0.00 0.00 0.00 17.79 18.50 1gtz h ALA 93 CO 0.07 0.04 -0.30 -0.07 0.00 0.00 0.00 179.25 178.99 1gtz h LEU 94 N 0.65 0.00 -1.74 0.00 3.38 -0.56 -2.15 115.31 114.89 1gtz h LEU 94 Ca 0.23 0.00 -0.01 0.00 0.09 0.00 0.00 57.88 58.19 1gtz h LEU 94 Cb 0.04 0.00 -0.00 0.00 0.09 0.00 0.00 40.66 40.79 1gtz h LEU 94 CO -0.11 0.30 -0.04 0.78 0.09 0.00 0.00 178.44 179.47 1gtz h ASN 95 N 0.00 0.00 0.92 -0.43 -0.26 -0.86 -2.07 115.58 112.89 1gtz h ASN 95 Ca -0.00 0.00 0.00 0.00 -0.56 0.00 0.00 56.30 55.74 1gtz h ASN 95 Cb 0.57 0.00 0.00 0.00 -1.06 0.00 0.00 38.32 37.83 1gtz h ASN 95 CO 0.04 0.04 0.00 0.35 -1.06 0.00 0.00 177.43 176.80 1gtz n THR 96 N -3.18 0.41 -2.95 2.81 -2.24 -0.81 -4.43 114.28 103.90 1gtz n THR 96 Ca -0.00 0.04 -0.44 0.00 -2.27 0.00 0.00 64.05 61.38 1gtz n THR 96 Cb 0.27 -0.69 0.00 0.00 -2.10 0.00 0.00 70.33 67.81 1gtz n THR 96 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 1gtz n ASP 98 N 2.97 2.33 0.00 0.00 2.03 -1.26 -2.48 116.55 120.14 1gtz n ASP 98 Ca 0.30 0.35 0.00 0.00 0.52 0.00 0.00 54.79 55.96 1gtz n ASP 98 Cb 0.37 -1.32 0.00 0.00 -0.72 0.00 0.00 41.12 39.45 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 6.40 0.79 3.71 0.27 0.00 -1.26 -4.98 105.19 110.12 1gtz n GLY 99 Ca 0.39 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.99 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 4.35 0.27 0.99 2.96 -1.03 -4.97 118.68 121.25 1gtz s LEU 100 Ca 0.00 2.14 -0.30 0.00 -0.22 0.00 0.00 54.13 55.75 1gtz s LEU 100 Cb 0.00 -3.58 -0.10 0.00 0.50 0.00 0.00 46.19 43.01 1gtz s LEU 100 CO 0.00 -0.60 1.47 -2.84 -1.32 0.00 0.00 176.35 173.06 1gtz s PRO 101 N 1.44 4.24 -0.06 0.98 0.02 -1.26 -4.92 135.00 135.43 1gtz s PRO 101 Ca 0.62 2.36 -0.03 0.00 0.02 0.00 0.00 61.00 63.98 1gtz s PRO 101 Cb -0.32 -3.09 0.04 0.00 0.02 0.00 0.00 34.50 31.15 1gtz s PRO 101 CO 0.29 -0.46 0.13 0.08 -0.33 0.00 0.00 177.00 176.71 1gtz s VAL 102 N -0.08 -0.10 -0.12 3.83 1.01 -1.26 -0.92 120.40 122.75 1gtz s VAL 102 Ca 0.60 0.23 -0.00 0.00 0.00 0.00 0.00 61.98 62.80 1gtz s VAL 102 Cb -0.43 -0.23 0.02 0.00 0.00 0.00 0.00 36.38 35.74 1gtz s VAL 102 CO 0.45 0.10 -0.09 -0.69 0.00 0.00 0.00 175.10 174.87 1gtz s VAL 103 N 1.43 1.14 0.03 2.92 1.01 -0.56 -0.63 120.40 125.74 1gtz s VAL 103 Ca -0.06 -0.36 -0.22 0.00 0.00 0.00 0.00 61.98 61.34 1gtz s VAL 103 Cb -0.12 -1.14 -0.06 0.00 0.00 0.00 0.00 36.38 35.07 1gtz s VAL 103 CO -0.05 0.39 0.66 -0.70 0.00 0.00 0.00 175.10 175.39 1gtz s GLU 104 N 1.66 4.38 -0.10 2.72 2.12 -0.23 -1.17 118.70 128.08 1gtz s GLU 104 Ca 0.05 0.86 0.02 0.00 0.36 0.00 0.00 54.97 56.26 1gtz s GLU 104 Cb -0.13 -3.34 0.01 0.00 0.26 0.00 0.00 34.13 30.94 1gtz s GLU 104 CO -0.09 0.38 -0.15 0.08 -0.54 0.00 0.00 175.26 174.94 1gtz s VAL 105 N -0.28 1.41 -0.13 3.70 1.01 -0.49 -1.01 120.40 124.61 1gtz s VAL 105 Ca 0.33 -0.60 0.01 0.00 0.00 0.00 0.00 61.98 61.72 1gtz s VAL 105 Cb -0.19 -1.29 -0.01 0.00 0.00 0.00 0.00 36.38 34.88 1gtz s VAL 105 CO 0.20 0.42 -0.15 -1.00 0.00 0.00 0.00 175.10 174.57 1gtz s HIS 106 N 0.91 2.76 0.08 5.22 3.76 0.54 -4.11 115.29 124.45 1gtz s HIS 106 Ca -0.09 -0.81 -0.19 0.00 -0.15 0.00 0.00 55.06 53.83 1gtz s HIS 106 Cb -0.15 -1.84 -0.09 0.00 1.11 0.00 0.00 32.58 31.62 1gtz s HIS 106 CO 0.00 -0.31 1.54 0.82 -0.85 0.00 0.00 174.74 175.94 1gtz h ILE 107 N 5.52 1.24 -3.81 0.60 2.04 -1.85 -2.34 117.51 118.90 1gtz h ILE 107 Ca -0.26 -0.81 -0.49 0.00 1.00 0.00 0.00 64.86 64.30 1gtz h ILE 107 Cb 1.21 1.33 0.05 0.00 -0.74 0.00 0.00 36.82 38.67 1gtz h ILE 107 CO 0.54 0.25 0.21 -0.94 0.00 0.00 0.00 178.15 178.22 1gtz s SER 108 N -5.84 5.81 -0.94 1.72 1.04 -1.26 -2.60 113.70 111.62 1gtz s SER 108 Ca -0.14 0.90 -0.20 0.00 0.48 0.00 0.00 55.95 56.99 1gtz s SER 108 Cb 0.07 -1.95 0.11 0.00 0.10 0.00 0.00 66.02 64.35 1gtz s SER 108 CO 0.73 -0.95 1.19 0.21 0.98 0.00 0.00 173.24 175.40 1gtz s ASN 109 N -4.25 6.59 0.33 7.02 3.84 -1.26 -2.21 114.94 125.00 1gtz s ASN 109 Ca 0.53 -1.88 0.12 0.00 0.21 0.00 0.00 52.86 51.84 1gtz s ASN 109 Cb -0.11 -2.44 1.00 0.00 -0.55 0.00 0.00 41.25 39.16 1gtz s ASN 109 CO 0.47 -1.17 1.67 0.16 -2.79 0.00 0.00 177.10 175.43 1gtz h ILE 110 N 6.05 0.33 0.00 -5.21 3.07 -1.93 -2.01 117.51 117.82 1gtz h ILE 110 Ca 0.15 -0.12 0.00 0.00 1.55 0.00 0.00 64.86 66.45 1gtz h ILE 110 Cb 1.02 -0.04 0.00 0.00 -0.27 0.00 0.00 36.82 37.54 1gtz h ILE 110 CO 1.18 0.06 0.03 0.45 -1.05 0.00 0.00 178.15 178.83 1gtz h HIS 111 N 0.34 0.00 -0.02 0.16 3.86 -1.89 -1.57 115.15 116.03 1gtz h HIS 111 Ca 0.69 0.00 0.00 0.00 -1.16 0.00 0.00 60.37 59.90 1gtz h HIS 111 Cb 1.52 0.00 0.00 0.00 1.06 0.00 0.00 27.41 29.99 1gtz h HIS 111 CO -0.05 0.00 -0.25 1.04 0.86 0.00 0.00 177.93 179.53 1gtz n GLN 112 N -2.36 1.41 -0.11 2.45 6.02 -0.76 -4.96 117.38 119.07 1gtz n GLN 112 Ca -0.02 -1.05 0.00 0.00 -0.01 0.00 0.00 57.00 55.93 1gtz n GLN 112 Cb 0.07 -1.48 0.00 0.00 1.02 0.00 0.00 30.24 29.85 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 0.12 2.88 -1.46 -1.09 1.74 -0.59 -5.05 116.66 113.20 1gtz n ARG 113 Ca 0.12 0.00 -0.35 0.00 -0.77 0.00 0.00 57.85 56.85 1gtz n ARG 113 Cb 0.45 0.00 0.09 0.00 -1.02 0.00 0.00 32.46 31.98 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 2.34 2.14 0.48 5.56 8.01 -1.26 -4.87 118.70 131.10 1gtz s GLU 114 Ca 0.00 1.92 0.21 0.00 0.01 0.00 0.00 54.97 57.11 1gtz s GLU 114 Cb 0.00 -1.81 1.21 0.00 -4.31 0.00 0.00 34.13 29.22 1gtz s GLU 114 CO 0.00 -1.87 2.03 -1.35 0.01 0.00 0.00 175.26 174.07 1gtz h PRO 115 N -0.11 0.00 0.00 0.39 0.11 -1.96 0.22 132.00 130.65 1gtz h PRO 115 Ca -0.49 0.00 -0.02 0.00 0.11 0.00 0.00 66.00 65.60 1gtz h PRO 115 Cb 1.32 0.00 -0.00 0.00 0.11 0.00 0.00 31.00 32.42 1gtz h PRO 115 CO 0.50 0.16 -0.10 0.27 -0.21 0.00 0.00 178.00 178.62 1gtz h PHE 116 N 0.00 0.00 -0.00 0.65 -5.15 -1.98 -1.40 116.94 109.06 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 0.34 0.00 0.00 0.00 0.22 0.00 0.00 35.95 36.51 1gtz h PHE 116 CO 0.00 0.10 -0.15 0.54 -2.00 0.00 0.00 178.31 176.79 1gtz n ARG 117 N -3.65 0.52 0.19 6.09 1.74 0.78 -4.40 116.66 117.93 1gtz n ARG 117 Ca -0.02 -0.19 0.05 0.00 -0.77 0.00 0.00 57.85 56.92 1gtz n ARG 117 Cb 0.21 -1.50 0.35 0.00 -1.02 0.00 0.00 32.46 30.51 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 0.47 0.00 -3.51 -1.55 3.86 -1.28 -3.44 115.15 109.70 1gtz h HIS 118 Ca 0.00 0.00 -0.67 0.00 -1.16 0.00 0.00 60.37 58.54 1gtz h HIS 118 Cb 0.40 0.00 -0.20 0.00 1.06 0.00 0.00 27.41 28.67 1gtz h HIS 118 CO 0.00 0.37 -0.68 -1.58 0.86 0.00 0.00 177.93 176.90 1gtz s HIS 119 N -3.69 2.97 -0.07 2.45 5.65 -1.26 -4.91 115.29 116.43 1gtz s HIS 119 Ca -0.00 -0.10 0.05 0.00 0.25 0.00 0.00 55.06 55.26 1gtz s HIS 119 Cb 0.11 -1.80 -0.00 0.00 -1.18 0.00 0.00 32.58 29.71 1gtz s HIS 119 CO 0.69 0.20 -0.22 0.45 -0.65 0.00 0.00 174.74 175.21 1gtz s SER 120 N -0.41 2.76 0.25 9.88 0.15 -1.26 -4.21 113.70 120.86 1gtz s SER 120 Ca 0.06 -0.47 0.01 0.00 0.70 0.00 0.00 55.95 56.25 1gtz s SER 120 Cb -0.12 -0.97 0.31 0.00 -1.71 0.00 0.00 66.02 63.53 1gtz s SER 120 CO 0.02 0.18 1.64 1.88 1.20 0.00 0.00 173.24 178.17 1gtz h TYR 121 N 6.39 0.56 -0.47 3.44 -1.99 -1.26 -3.11 116.97 120.54 1gtz h TYR 121 Ca -0.28 -0.15 -0.02 0.00 2.00 0.00 0.00 58.73 60.28 1gtz h TYR 121 Cb 1.20 -0.13 -0.02 0.00 2.00 0.00 0.00 36.73 39.78 1gtz h TYR 121 CO 0.45 0.78 0.21 0.28 -0.00 0.00 0.00 178.16 179.89 1gtz h VAL 122 N 0.41 1.16 0.00 -2.88 2.07 -1.86 -2.97 116.25 112.18 1gtz h VAL 122 Ca 0.04 -0.47 -0.00 0.00 0.82 0.00 0.00 66.70 67.09 1gtz h VAL 122 Cb 0.83 0.58 -0.00 0.00 -1.52 0.00 0.00 31.29 31.18 1gtz h VAL 122 CO 0.07 0.19 -0.00 0.77 0.02 0.00 0.00 177.57 178.62 1gtz h SER 123 N 0.65 0.00 1.64 0.57 4.64 -1.90 0.31 113.55 119.46 1gtz h SER 123 Ca 0.16 0.00 -0.01 0.00 -0.47 0.00 0.00 61.79 61.47 1gtz h SER 123 Cb 0.09 0.00 -0.00 0.00 -0.31 0.00 0.00 62.40 62.17 1gtz h SER 123 CO -0.02 0.00 -0.07 1.56 -0.87 0.00 0.00 176.83 177.43 1gtz h GLN 124 N 0.00 0.00 0.00 4.77 1.08 -1.68 -3.30 115.11 115.98 1gtz h GLN 124 Ca -0.00 0.00 -0.35 0.00 -1.45 0.00 0.00 58.65 56.85 1gtz h GLN 124 Cb 0.08 0.00 -0.06 0.00 -0.05 0.00 0.00 27.48 27.45 1gtz h GLN 124 CO 0.00 0.07 -2.34 -2.13 -0.95 0.00 0.00 178.83 173.48 1gtz n ARG 125 N -3.13 0.65 -1.61 1.46 3.00 -0.24 -5.02 116.66 111.77 1gtz n ARG 125 Ca 0.03 0.12 -0.42 0.00 -0.00 0.00 0.00 57.85 57.58 1gtz n ARG 125 Cb 0.49 -1.47 0.01 0.00 0.00 0.00 0.00 32.46 31.49 1gtz n ARG 125 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.63 177.63 1gtz n ALA 126 N -3.12 0.15 -0.02 5.13 0.00 -0.07 -4.90 120.51 117.68 1gtz n ALA 126 Ca -0.40 0.24 -0.13 0.00 0.00 0.00 0.00 53.44 53.14 1gtz n ALA 126 Cb 0.97 -2.07 -0.09 0.00 0.00 0.00 0.00 19.45 18.26 1gtz n ALA 126 CO 0.00 0.00 0.00 -0.44 0.00 0.00 0.00 177.50 177.06 1gtz h ASP 127 N 1.55 0.11 -4.46 0.00 3.32 -1.21 -3.46 116.42 112.29 1gtz h ASP 127 Ca -0.44 -0.46 -0.42 0.00 0.02 0.00 0.00 57.03 55.73 1gtz h ASP 127 Cb 1.34 -0.03 -0.22 0.00 0.22 0.00 0.00 39.33 40.64 1gtz h ASP 127 CO 0.57 0.55 -0.78 -0.83 -1.72 0.00 0.00 179.24 177.03 1gtz s GLY 128 N -3.21 0.85 -0.10 2.75 0.00 -1.19 -5.05 107.32 101.37 1gtz s GLY 128 Ca -0.15 -0.97 0.01 0.00 0.00 0.00 0.00 44.72 43.60 1gtz s GLY 128 CO 0.70 -0.99 -0.10 0.14 0.00 0.00 0.00 173.10 172.85 1gtz s VAL 129 N -1.20 1.11 -0.16 1.40 1.01 -1.26 -1.07 120.40 120.22 1gtz s VAL 129 Ca -0.02 -0.38 -0.01 0.00 0.00 0.00 0.00 61.98 61.57 1gtz s VAL 129 Cb -0.10 -1.08 -0.01 0.00 0.00 0.00 0.00 36.38 35.19 1gtz s VAL 129 CO 0.02 0.37 -0.11 -0.69 0.00 0.00 0.00 175.10 174.69 1gtz s VAL 130 N 1.35 3.06 0.01 2.92 1.01 -0.18 -4.99 120.40 123.58 1gtz s VAL 130 Ca -0.01 -0.64 0.02 0.00 0.00 0.00 0.00 61.98 61.35 1gtz s VAL 130 Cb -0.14 -2.32 -0.01 0.00 0.00 0.00 0.00 36.38 33.92 1gtz s VAL 130 CO -0.05 0.50 -0.08 0.00 0.00 0.00 0.00 175.10 175.47 1gtz s ALA 131 N 0.73 0.63 -1.56 5.51 0.00 -1.26 -0.34 121.76 125.48 1gtz s ALA 131 Ca -0.05 -0.47 0.00 0.00 0.00 0.00 0.00 51.96 51.44 1gtz s ALA 131 Cb -0.15 -0.10 0.00 0.00 0.00 0.00 0.00 23.12 22.87 1gtz s ALA 131 CO 0.02 0.11 0.00 0.41 0.00 0.00 0.00 175.76 176.30 1gtz n GLY 132 N 2.45 1.24 1.59 0.00 0.00 -0.88 -4.78 105.19 104.81 1gtz n GLY 132 Ca -0.16 -0.30 0.07 0.00 0.00 0.00 0.00 46.02 45.64 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 0.82 -0.00 0.01 0.00 0.00 -1.07 -2.66 105.19 102.28 1gtz n GLY 134 Ca 0.24 -0.98 0.05 0.00 0.00 0.00 0.00 46.02 45.33 1gtz n GLY 134 CO 0.00 0.00 0.00 3.33 0.00 0.00 0.00 173.32 176.65 1gtz n VAL 135 N -0.34 1.31 0.24 1.61 0.24 -1.26 -1.67 118.33 118.45 1gtz n VAL 135 Ca 0.00 0.34 0.12 0.00 -2.04 0.00 0.00 64.34 62.75 1gtz n VAL 135 Cb 0.00 -1.17 0.57 0.00 -1.47 0.00 0.00 33.84 31.77 1gtz n VAL 135 CO 0.00 0.00 0.00 -0.61 -2.14 0.00 0.00 176.83 174.08 1gtz h GLN 136 N 0.00 0.00 0.00 7.34 4.15 -1.95 -1.53 115.11 123.12 1gtz h GLN 136 Ca 0.00 0.00 -0.02 0.00 0.77 0.00 0.00 58.65 59.40 1gtz h GLN 136 Cb 0.17 0.00 -0.00 0.00 0.21 0.00 0.00 27.48 27.86 1gtz h GLN 136 CO 0.00 0.17 -0.11 0.78 -1.93 0.00 0.00 178.83 177.74 1gtz h GLY 137 N 1.72 0.00 1.35 2.39 0.00 -1.09 -0.73 103.07 106.71 1gtz h GLY 137 Ca -0.00 0.00 -0.07 0.00 0.00 0.00 0.00 47.33 47.26 1gtz h GLY 137 CO 0.02 0.00 -0.00 -0.97 0.00 0.00 0.00 176.54 175.59 1gtz h TYR 138 N 0.00 0.84 -0.53 5.60 -1.99 -1.47 -1.61 116.97 117.80 1gtz h TYR 138 Ca -0.00 -0.12 -0.09 0.00 2.00 0.00 0.00 58.73 60.52 1gtz h TYR 138 Cb 0.20 -0.23 -0.02 0.00 2.00 0.00 0.00 36.73 38.68 1gtz h TYR 138 CO 0.00 0.78 -0.01 0.28 -0.00 0.00 0.00 178.16 179.21 1gtz h VAL 139 N 0.74 1.26 -0.97 -2.88 2.07 -1.26 -1.84 116.25 113.37 1gtz h VAL 139 Ca 0.14 -1.12 0.07 0.00 0.82 0.00 0.00 66.70 66.62 1gtz h VAL 139 Cb 0.45 0.92 -0.07 0.00 -1.52 0.00 0.00 31.29 31.07 1gtz h VAL 139 CO 0.02 0.40 0.62 -0.26 0.02 0.00 0.00 177.57 178.36 1gtz h PHE 140 N 0.82 1.14 0.19 1.57 0.05 -1.15 -1.12 116.94 118.44 1gtz h PHE 140 Ca 0.15 0.03 0.00 0.00 3.82 0.00 0.00 57.97 61.97 1gtz h PHE 140 Cb 0.54 -0.37 -0.02 0.00 2.00 0.00 0.00 35.95 38.10 1gtz h PHE 140 CO 0.04 0.57 -0.19 0.78 -0.18 0.00 0.00 178.31 179.34 1gtz h GLY 141 N 1.11 -0.40 0.45 -1.45 0.00 -0.94 0.47 103.07 102.30 1gtz h GLY 141 Ca 0.43 0.21 0.05 0.00 0.00 0.00 0.00 47.33 48.02 1gtz h GLY 141 CO -0.18 -0.18 -0.07 -2.08 0.00 0.00 0.00 176.54 174.03 1gtz h VAL 142 N -0.41 0.73 -0.94 4.60 2.07 -0.95 -0.82 116.25 120.52 1gtz h VAL 142 Ca 0.00 0.00 0.11 0.00 0.82 0.00 0.00 66.70 67.63 1gtz h VAL 142 Cb 0.38 0.73 -0.08 0.00 -1.52 0.00 0.00 31.29 30.80 1gtz h VAL 142 CO -0.04 0.00 0.57 -0.33 0.02 0.00 0.00 177.57 177.79 1gtz h GLU 143 N -0.00 0.90 -0.42 1.57 5.08 -0.99 -0.09 114.58 120.63 1gtz h GLU 143 Ca 0.13 -0.05 -0.15 0.00 -1.00 0.00 0.00 59.36 58.29 1gtz h GLU 143 Cb 0.20 -0.20 -0.01 0.00 0.50 0.00 0.00 28.75 29.24 1gtz h GLU 143 CO -0.28 0.60 -0.32 -0.09 -1.00 0.00 0.00 179.01 177.91 1gtz h ARG 144 N 0.93 0.96 -0.51 2.33 9.65 -0.43 -1.86 114.38 125.46 1gtz h ARG 144 Ca 0.46 -0.47 0.00 0.00 -1.10 0.00 0.00 59.98 58.87 1gtz h ARG 144 Cb 0.43 -0.00 -0.03 0.00 -1.39 0.00 0.00 29.97 28.98 1gtz h ARG 144 CO -0.26 1.13 0.33 0.82 2.80 0.00 0.00 179.97 184.80 1gtz h ILE 145 N 0.80 1.14 -0.72 1.20 1.08 -0.64 0.45 117.51 120.82 1gtz h ILE 145 Ca 0.08 -0.27 -0.00 0.00 -0.39 0.00 0.00 64.86 64.28 1gtz h ILE 145 Cb 0.91 0.40 -0.04 0.00 -3.07 0.00 0.00 36.82 35.03 1gtz h ILE 145 CO 0.08 0.13 0.44 0.00 -0.69 0.00 0.00 178.15 178.12 1gtz h ALA 146 N 1.18 1.41 -0.04 1.87 0.00 -0.88 0.92 119.26 123.71 1gtz h ALA 146 Ca 0.19 -0.08 -0.17 0.00 0.00 0.00 0.00 54.91 54.85 1gtz h ALA 146 Cb -0.06 -0.29 -0.01 0.00 0.00 0.00 0.00 17.79 17.42 1gtz h ALA 146 CO -0.04 0.51 -0.71 0.00 0.00 0.00 0.00 179.25 179.01 1gtz h ALA 147 N 1.49 0.70 0.00 0.00 0.00 -0.68 -2.44 119.26 118.34 1gtz h ALA 147 Ca 0.26 -0.61 -0.17 0.00 0.00 0.00 0.00 54.91 54.39 1gtz h ALA 147 Cb -0.05 -0.08 -0.02 0.00 0.00 0.00 0.00 17.79 17.64 1gtz h ALA 147 CO -0.05 0.80 -0.81 -0.07 0.00 0.00 0.00 179.25 179.12 1gtz h LEU 148 N 0.16 0.00 0.00 0.00 3.38 0.04 -3.18 115.31 115.71 1gtz h LEU 148 Ca -0.02 0.00 -0.09 0.00 0.09 0.00 0.00 57.88 57.85 1gtz h LEU 148 Cb 1.27 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 42.01 1gtz h LEU 148 CO 0.11 0.81 -0.56 0.00 0.09 0.00 0.00 178.44 178.89 1gtz h ALA 149 N 1.19 0.71 -0.02 1.53 0.00 -0.90 -3.49 119.26 118.28 1gtz h ALA 149 Ca -0.01 -0.42 0.00 0.00 0.00 0.00 0.00 54.91 54.48 1gtz h ALA 149 Cb 1.59 -0.02 0.00 0.00 0.00 0.00 0.00 17.79 19.36 1gtz h ALA 149 CO 0.11 0.55 0.00 0.41 0.00 0.00 0.00 179.25 180.31