#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 3.12 0.49 0.55 0.15 -1.26 -4.86 113.70 111.89 1gtz s SER 3 Ca 0.00 -1.08 0.24 0.00 0.70 0.00 0.00 55.95 55.82 1gtz s SER 3 Cb 0.00 -0.23 1.25 0.00 -1.71 0.00 0.00 66.02 65.34 1gtz s SER 3 CO 0.00 -0.13 2.00 -0.07 1.20 0.00 0.00 173.24 176.24 1gtz h LEU 4 N 2.34 0.00 -0.09 3.45 4.07 -1.92 -0.86 115.31 122.31 1gtz h LEU 4 Ca -0.40 0.00 -0.21 0.00 0.08 0.00 0.00 57.88 57.36 1gtz h LEU 4 Cb 1.24 0.00 -0.02 0.00 1.08 0.00 0.00 40.66 42.96 1gtz h LEU 4 CO 0.63 0.17 -0.98 0.00 -1.08 0.00 0.00 178.44 177.19 1gtz h ALA 5 N 1.83 0.40 0.00 1.53 0.00 -1.89 -3.34 119.26 117.79 1gtz h ALA 5 Ca -0.00 -0.86 0.00 0.00 0.00 0.00 0.00 54.91 54.05 1gtz h ALA 5 Cb 0.44 -0.13 0.00 0.00 0.00 0.00 0.00 17.79 18.10 1gtz h ALA 5 CO 0.02 1.15 -0.79 -0.91 0.00 0.00 0.00 179.25 178.72 1gtz h ASN 6 N 0.02 0.00 -5.01 0.00 -0.26 -1.74 -3.49 115.58 105.10 1gtz h ASN 6 Ca -0.02 -0.08 -0.07 0.00 -0.56 0.00 0.00 56.30 55.56 1gtz h ASN 6 Cb 1.70 0.00 -0.17 0.00 -1.06 0.00 0.00 38.32 38.79 1gtz h ASN 6 CO 0.13 0.04 -0.01 0.00 -1.06 0.00 0.00 177.43 176.53 1gtz s ALA 7 N -3.28 -1.26 0.64 -0.83 0.00 -0.40 -4.93 121.76 111.70 1gtz s ALA 7 Ca 0.02 0.62 -0.14 0.00 0.00 0.00 0.00 51.96 52.47 1gtz s ALA 7 Cb 0.11 0.26 -0.01 0.00 0.00 0.00 0.00 23.12 23.48 1gtz s ALA 7 CO 0.76 -0.44 1.06 -1.25 0.00 0.00 0.00 175.76 175.90 1gtz s PRO 8 N -2.07 3.10 -0.16 0.00 0.04 -1.26 -4.33 135.00 130.32 1gtz s PRO 8 Ca -0.07 1.15 -0.25 0.00 0.04 0.00 0.00 61.00 61.86 1gtz s PRO 8 Cb -0.01 -2.01 -0.02 0.00 0.04 0.00 0.00 34.50 32.51 1gtz s PRO 8 CO 0.01 -0.98 0.82 0.42 0.04 0.00 0.00 177.00 177.31 1gtz s ILE 9 N -2.64 4.89 0.03 0.56 1.01 -0.37 -1.87 121.20 122.82 1gtz s ILE 9 Ca 0.62 1.62 -0.30 0.00 0.00 0.00 0.00 60.65 62.59 1gtz s ILE 9 Cb -0.16 -4.13 -0.04 0.00 0.01 0.00 0.00 42.46 38.14 1gtz s ILE 9 CO 0.44 0.05 1.00 -0.32 0.00 0.00 0.00 174.94 176.10 1gtz s MET 10 N 2.03 4.58 -0.33 2.79 1.75 -0.26 -1.13 119.30 128.73 1gtz s MET 10 Ca 0.38 1.46 0.01 0.00 -1.25 0.00 0.00 55.69 56.30 1gtz s MET 10 Cb -0.17 -3.43 0.08 0.00 2.84 0.00 0.00 34.83 34.16 1gtz s MET 10 CO 0.13 -0.01 0.03 0.42 -0.65 0.00 0.00 175.02 174.94 1gtz s ILE 11 N 0.79 2.58 -0.08 10.11 1.01 -0.44 -1.17 121.20 133.99 1gtz s ILE 11 Ca 0.51 -1.96 -0.00 0.00 0.00 0.00 0.00 60.65 59.20 1gtz s ILE 11 Cb -0.22 -2.71 -0.03 0.00 0.01 0.00 0.00 42.46 39.50 1gtz s ILE 11 CO 0.29 -0.40 -0.04 -0.76 0.00 0.00 0.00 174.94 174.02 1gtz s LEU 12 N 1.05 3.33 -0.09 2.97 1.43 -0.23 -0.76 118.68 126.38 1gtz s LEU 12 Ca 0.03 0.04 0.02 0.00 -1.03 0.00 0.00 54.13 53.19 1gtz s LEU 12 Cb -0.20 -1.74 0.01 0.00 0.03 0.00 0.00 46.19 44.29 1gtz s LEU 12 CO -0.05 0.36 -0.13 0.20 0.23 0.00 0.00 176.35 176.95 1gtz s ASN 13 N -0.79 2.18 0.00 2.29 0.01 -0.20 -1.44 114.94 116.99 1gtz s ASN 13 Ca 0.12 -0.37 0.00 0.00 -0.71 0.00 0.00 52.86 51.90 1gtz s ASN 13 Cb -0.11 -0.97 0.00 0.00 0.41 0.00 0.00 41.25 40.58 1gtz s ASN 13 CO 0.02 0.01 0.00 0.61 -1.51 0.00 0.00 177.10 176.23 1gtz n GLY 14 N 4.12 0.12 3.77 0.66 0.00 0.35 -1.30 105.19 112.91 1gtz n GLY 14 Ca -0.20 -1.75 -0.38 0.00 0.00 0.00 0.00 46.02 43.69 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 0.94 4.05 0.00 1.61 0.04 -1.13 -3.02 135.00 137.51 1gtz s PRO 15 Ca 0.00 1.78 0.00 0.00 0.04 0.00 0.00 61.00 62.82 1gtz s PRO 15 Cb 0.00 -2.64 0.00 0.00 0.04 0.00 0.00 34.50 31.90 1gtz s PRO 15 CO 0.00 -0.30 0.00 0.09 0.04 0.00 0.00 177.00 176.83 1gtz n ASN 16 N 0.02 0.00 0.00 6.66 3.02 -1.26 -4.53 115.26 119.17 1gtz n ASN 16 Ca 0.05 0.00 0.10 0.00 -0.03 0.00 0.00 54.58 54.70 1gtz n ASN 16 Cb 0.47 0.00 0.47 0.00 -0.61 0.00 0.00 39.78 40.11 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 0.00 0.17 3.41 4.77 -1.17 -1.73 117.00 122.45 1gtz n LEU 17 Ca 0.00 0.41 0.13 0.00 -0.03 0.00 0.00 56.01 56.51 1gtz n LEU 17 Cb 0.00 -0.41 0.67 0.00 -2.33 0.00 0.00 43.42 41.35 1gtz n LEU 17 CO 0.00 -0.12 1.11 -0.55 -1.33 0.00 0.00 177.39 176.50 1gtz h ASN 18 N 0.00 0.00 -0.41 -1.43 -1.07 -1.88 -1.69 115.58 109.09 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 0.28 0.00 0.00 0.00 -2.07 0.00 0.00 38.32 36.53 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 -4.46 2.25 -4.74 6.14 4.77 -0.71 -4.82 117.00 115.44 1gtz n LEU 19 Ca 0.02 -1.12 -0.42 0.00 -0.03 0.00 0.00 56.01 54.46 1gtz n LEU 19 Cb 0.28 -0.27 -0.02 0.00 -2.33 0.00 0.00 43.42 41.08 1gtz n LEU 19 CO 0.35 0.56 1.29 -0.22 -1.33 0.00 0.00 177.39 178.04 1gtz s LEU 20 N -1.04 4.35 0.00 2.23 2.96 -0.64 -0.96 118.68 125.58 1gtz s LEU 20 Ca 0.29 2.96 0.00 0.00 -0.22 0.00 0.00 54.13 57.15 1gtz s LEU 20 Cb 0.15 -3.63 0.00 0.00 0.50 0.00 0.00 46.19 43.21 1gtz s LEU 20 CO 0.20 -0.95 0.00 0.61 -1.32 0.00 0.00 176.35 174.89 1gtz n GLY 21 N 2.60 3.05 0.12 7.98 0.00 -1.11 -3.67 105.19 114.16 1gtz n GLY 21 Ca 0.10 0.00 -0.15 0.00 0.00 0.00 0.00 46.02 45.97 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 -0.42 0.67 -4.68 1.61 6.02 -0.13 -4.69 117.38 115.75 1gtz n GLN 22 Ca 0.00 0.11 -0.30 0.00 -0.01 0.00 0.00 57.00 56.79 1gtz n GLN 22 Cb 0.00 -1.53 -0.13 0.00 1.02 0.00 0.00 30.24 29.60 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 -2.51 2.50 -1.30 -1.58 0.00 -0.68 -4.77 121.76 113.40 1gtz s ALA 23 Ca -0.26 -1.24 -0.16 0.00 0.00 0.00 0.00 51.96 50.30 1gtz s ALA 23 Cb 0.08 -0.64 0.01 0.00 0.00 0.00 0.00 23.12 22.57 1gtz s ALA 23 CO 0.68 0.56 0.53 1.04 0.00 0.00 0.00 175.76 178.57 1gtz n GLN 24 N 1.51 -1.46 0.27 0.00 6.02 -1.26 -4.74 117.38 117.72 1gtz n GLN 24 Ca -0.16 0.27 0.14 0.00 -0.01 0.00 0.00 57.00 57.23 1gtz n GLN 24 Cb 0.52 -3.68 0.78 0.00 1.02 0.00 0.00 30.24 28.87 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 -2.08 0.00 0.00 -1.09 0.13 -1.86 -0.47 132.00 126.63 1gtz h PRO 25 Ca -0.67 0.00 -0.01 0.00 -0.87 0.00 0.00 66.00 64.45 1gtz h PRO 25 Cb 1.38 0.00 -0.00 0.00 0.13 0.00 0.00 31.00 32.51 1gtz h PRO 25 CO 0.57 0.09 -0.05 1.05 -0.23 0.00 0.00 178.00 179.43 1gtz h GLU 26 N 0.00 0.00 0.00 0.86 9.09 -1.88 0.23 114.58 122.89 1gtz h GLU 26 Ca -0.00 0.00 -0.44 0.00 0.05 0.00 0.00 59.36 58.97 1gtz h GLU 26 Cb 0.28 0.00 -0.07 0.00 -1.65 0.00 0.00 28.75 27.31 1gtz h GLU 26 CO 0.01 0.05 -2.52 -0.89 0.05 0.00 0.00 179.01 175.71 1gtz n ILE 27 N -3.16 1.52 0.64 -1.06 5.41 -0.33 -4.76 119.36 117.62 1gtz n ILE 27 Ca 0.01 -0.46 0.07 0.00 1.00 0.00 0.00 62.75 63.37 1gtz n ILE 27 Cb 0.35 -1.70 0.05 0.00 -0.71 0.00 0.00 39.64 37.63 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 -3.85 0.00 0.00 1.39 4.02 -0.38 -4.70 117.16 113.63 1gtz n TYR 28 Ca -0.51 0.00 0.00 0.00 -0.01 0.00 0.00 57.90 57.38 1gtz n TYR 28 Cb 0.93 0.00 0.00 0.00 -0.02 0.00 0.00 39.34 40.25 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 0.04 0.65 2.72 0.00 0.82 -4.76 105.19 105.56 1gtz n GLY 29 Ca 0.08 -1.90 0.06 0.00 0.00 0.00 0.00 46.02 44.27 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 -0.52 2.66 -4.78 1.61 7.64 -1.26 -3.98 113.62 114.98 1gtz n SER 30 Ca 0.00 -1.81 -0.37 0.00 1.01 0.00 0.00 58.87 57.70 1gtz n SER 30 Cb 0.00 -0.16 -0.06 0.00 -1.01 0.00 0.00 64.21 62.98 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 7.33 0.58 6.43 1.01 -1.26 -4.63 116.67 125.10 1gtz s ASP 31 Ca 0.22 1.75 0.02 0.00 0.71 0.00 0.00 52.55 55.25 1gtz s ASP 31 Cb 0.13 -2.55 0.06 0.00 1.01 0.00 0.00 42.92 41.57 1gtz s ASP 31 CO 0.17 0.00 0.81 0.42 0.21 0.00 0.00 175.17 176.79 1gtz s THR 32 N -1.51 2.53 0.44 -1.27 -4.23 -1.26 -2.76 115.64 107.59 1gtz s THR 32 Ca 0.47 -0.68 0.12 0.00 -1.18 0.00 0.00 61.69 60.42 1gtz s THR 32 Cb -0.19 -2.85 0.21 0.00 1.34 0.00 0.00 72.50 71.00 1gtz s THR 32 CO 0.24 0.00 2.02 0.25 -0.54 0.00 0.00 174.62 176.59 1gtz h LEU 33 N -0.03 0.13 -0.69 4.79 5.85 -1.82 -1.14 115.31 122.40 1gtz h LEU 33 Ca -0.40 -0.02 -0.12 0.00 0.84 0.00 0.00 57.88 58.19 1gtz h LEU 33 Cb 1.29 -0.03 -0.01 0.00 0.37 0.00 0.00 40.66 42.27 1gtz h LEU 33 CO 0.49 0.22 -0.23 0.00 -0.34 0.00 0.00 178.44 178.57 1gtz h ALA 34 N 1.80 0.87 -0.45 1.25 0.00 -1.94 -0.98 119.26 119.82 1gtz h ALA 34 Ca 0.03 -0.37 -0.02 0.00 0.00 0.00 0.00 54.91 54.55 1gtz h ALA 34 Cb 0.20 -0.15 -0.02 0.00 0.00 0.00 0.00 17.79 17.82 1gtz h ALA 34 CO 0.01 0.63 0.19 -0.44 0.00 0.00 0.00 179.25 179.64 1gtz h ASP 35 N 0.66 0.61 -0.54 0.00 3.32 -1.79 -0.47 116.42 118.20 1gtz h ASP 35 Ca 0.09 -0.16 -0.06 0.00 0.02 0.00 0.00 57.03 56.93 1gtz h ASP 35 Cb 0.74 -0.16 -0.02 0.00 0.22 0.00 0.00 39.33 40.11 1gtz h ASP 35 CO 0.06 0.60 0.12 0.58 -1.72 0.00 0.00 179.24 178.88 1gtz h VAL 36 N 0.58 1.25 -0.30 -1.35 2.07 -0.70 -1.93 116.25 115.86 1gtz h VAL 36 Ca 0.15 -0.90 0.05 0.00 0.82 0.00 0.00 66.70 66.83 1gtz h VAL 36 Cb 0.17 0.79 -0.05 0.00 -1.52 0.00 0.00 31.29 30.68 1gtz h VAL 36 CO -0.01 0.33 -0.00 -0.08 0.02 0.00 0.00 177.57 177.82 1gtz h GLU 37 N 0.77 0.08 -0.82 1.57 4.81 -0.72 -1.58 114.58 118.68 1gtz h GLU 37 Ca 0.17 -0.00 -0.01 0.00 -0.13 0.00 0.00 59.36 59.38 1gtz h GLU 37 Cb 0.36 -0.02 -0.04 0.00 0.63 0.00 0.00 28.75 29.68 1gtz h GLU 37 CO 0.00 0.05 0.46 0.00 -0.73 0.00 0.00 179.01 178.79 1gtz h ALA 38 N 1.26 1.06 -0.75 2.92 0.00 -0.81 -0.54 119.26 122.39 1gtz h ALA 38 Ca 0.14 -0.12 0.02 0.00 0.00 0.00 0.00 54.91 54.95 1gtz h ALA 38 Cb 0.19 -0.33 -0.04 0.00 0.00 0.00 0.00 17.79 17.62 1gtz h ALA 38 CO -0.25 0.56 0.50 -0.07 0.00 0.00 0.00 179.25 179.99 1gtz h LEU 39 N 1.15 0.84 -0.30 0.00 3.38 -0.78 -1.62 115.31 117.98 1gtz h LEU 39 Ca 0.29 -0.02 -0.07 0.00 0.09 0.00 0.00 57.88 58.18 1gtz h LEU 39 Cb 0.02 -0.21 -0.01 0.00 0.09 0.00 0.00 40.66 40.56 1gtz h LEU 39 CO -0.05 0.60 -0.07 0.00 0.09 0.00 0.00 178.44 179.02 1gtz h VAL 41 N 0.34 1.09 -0.55 0.00 2.07 -0.87 -1.41 116.25 116.93 1gtz h VAL 41 Ca 0.08 -0.18 -0.05 0.00 0.82 0.00 0.00 66.70 67.37 1gtz h VAL 41 Cb 0.55 0.52 -0.02 0.00 -1.52 0.00 0.00 31.29 30.82 1gtz h VAL 41 CO 0.03 0.10 0.14 0.50 0.02 0.00 0.00 177.57 178.36 1gtz h LYS 42 N 0.52 0.87 -0.64 1.57 3.64 -1.20 -1.37 116.57 119.97 1gtz h LYS 42 Ca 0.15 -0.21 -0.08 0.00 -1.27 0.00 0.00 60.65 59.24 1gtz h LYS 42 Cb -0.05 -0.12 -0.02 0.00 -0.41 0.00 0.00 32.23 31.63 1gtz h LYS 42 CO -0.04 0.81 0.08 0.00 -2.27 0.00 0.00 179.45 178.03 1gtz h ALA 43 N 1.02 0.85 -0.17 5.00 0.00 -1.10 -2.59 119.26 122.26 1gtz h ALA 43 Ca 0.17 -0.28 -0.16 0.00 0.00 0.00 0.00 54.91 54.64 1gtz h ALA 43 Cb 0.33 -0.24 -0.01 0.00 0.00 0.00 0.00 17.79 17.87 1gtz h ALA 43 CO 0.00 0.63 -0.56 0.00 0.00 0.00 0.00 179.25 179.33 1gtz h ALA 44 N 1.02 0.71 -0.03 0.00 0.00 -1.03 -2.96 119.26 116.97 1gtz h ALA 44 Ca 0.19 -0.52 -0.08 0.00 0.00 0.00 0.00 54.91 54.51 1gtz h ALA 44 Cb 0.47 -0.08 -0.01 0.00 0.00 0.00 0.00 17.79 18.17 1gtz h ALA 44 CO 0.02 0.69 -0.34 0.00 0.00 0.00 0.00 179.25 179.62 1gtz h ALA 45 N 0.99 1.39 0.00 0.00 0.00 -0.95 0.41 119.26 121.10 1gtz h ALA 45 Ca 0.01 -0.32 -0.01 0.00 0.00 0.00 0.00 54.91 54.59 1gtz h ALA 45 Cb 1.10 -0.06 -0.00 0.00 0.00 0.00 0.00 17.79 18.82 1gtz h ALA 45 CO 0.10 0.45 -0.03 0.00 0.00 0.00 0.00 179.25 179.77 1gtz h ALA 46 N 1.62 1.23 -0.64 0.00 0.00 -1.29 -2.03 119.26 118.14 1gtz h ALA 46 Ca 0.00 -0.02 0.00 0.00 0.00 0.00 0.00 54.91 54.89 1gtz h ALA 46 Cb 0.62 -0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.40 1gtz h ALA 46 CO 0.05 0.03 0.00 0.72 0.00 0.00 0.00 179.25 180.05 1gtz n HIS 47 N -3.44 0.85 -1.64 0.00 8.25 -0.58 -4.94 115.22 113.71 1gtz n HIS 47 Ca -0.02 -0.49 -0.06 0.00 -0.26 0.00 0.00 57.72 56.89 1gtz n HIS 47 Cb 0.13 -0.01 -0.01 0.00 1.12 0.00 0.00 29.99 31.22 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 1.40 0.48 2.83 -1.41 0.00 -0.76 -4.85 105.19 102.87 1gtz n GLY 48 Ca 0.22 -0.72 -0.19 0.00 0.00 0.00 0.00 46.02 45.32 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 -1.64 2.80 3.21 -0.02 0.00 0.13 -4.37 105.19 105.30 1gtz n GLY 49 Ca -0.06 -2.26 -0.09 0.00 0.00 0.00 0.00 46.02 43.60 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 -2.01 0.12 0.26 2.61 -4.23 -1.26 -3.62 115.64 107.50 1gtz s THR 50 Ca 0.24 -1.62 0.06 0.00 -1.18 0.00 0.00 61.69 59.19 1gtz s THR 50 Cb -0.02 -1.79 -0.05 0.00 1.34 0.00 0.00 72.50 71.98 1gtz s THR 50 CO 0.15 -0.53 -0.06 0.68 -0.54 0.00 0.00 174.62 174.32 1gtz s VAL 51 N -3.97 1.51 -0.39 2.29 -7.23 -1.26 -1.24 120.40 110.11 1gtz s VAL 51 Ca 0.16 -2.11 0.01 0.00 -1.81 0.00 0.00 61.98 58.23 1gtz s VAL 51 Cb 0.06 -2.36 0.13 0.00 0.56 0.00 0.00 36.38 34.77 1gtz s VAL 51 CO -0.03 -0.36 0.20 -0.62 -0.31 0.00 0.00 175.10 173.99 1gtz s ASP 52 N -3.39 3.58 -0.28 4.85 -1.08 -0.28 -4.87 116.67 115.20 1gtz s ASP 52 Ca 0.28 -2.30 -0.13 0.00 -0.52 0.00 0.00 52.55 49.88 1gtz s ASP 52 Cb 0.04 -0.85 -0.04 0.00 -1.46 0.00 0.00 42.92 40.61 1gtz s ASP 52 CO 0.10 -0.31 0.30 0.12 0.52 0.00 0.00 175.17 175.90 1gtz s PHE 53 N 0.81 3.23 0.04 -5.34 5.36 -1.26 -1.33 117.98 119.49 1gtz s PHE 53 Ca 0.16 0.23 -0.01 0.00 -0.96 0.00 0.00 56.93 56.34 1gtz s PHE 53 Cb -0.23 -2.50 -0.03 0.00 -0.34 0.00 0.00 43.02 39.92 1gtz s PHE 53 CO -0.05 -0.23 -0.01 1.03 -1.46 0.00 0.00 175.22 174.49 1gtz s ARG 54 N 1.93 0.50 0.03 10.12 0.52 0.06 -5.00 118.95 127.11 1gtz s ARG 54 Ca 0.11 -0.94 -0.00 0.00 -0.52 0.00 0.00 55.73 54.39 1gtz s ARG 54 Cb -0.16 0.18 -0.02 0.00 0.52 0.00 0.00 34.95 35.46 1gtz s ARG 54 CO 0.11 -0.09 -0.03 -1.14 0.02 0.00 0.00 175.30 174.16 1gtz s GLN 55 N -2.85 0.36 -0.11 3.54 -0.44 -1.26 -1.03 119.66 117.87 1gtz s GLN 55 Ca -0.03 -0.70 -0.29 0.00 -2.50 0.00 0.00 55.36 51.83 1gtz s GLN 55 Cb 0.00 0.10 0.07 0.00 -1.64 0.00 0.00 33.01 31.54 1gtz s GLN 55 CO -0.06 -0.05 0.69 0.45 0.50 0.00 0.00 175.29 176.82 1gtz s SER 56 N -1.67 -0.69 0.00 6.67 0.15 -0.42 -4.96 113.70 112.78 1gtz s SER 56 Ca -0.12 0.93 0.25 0.00 0.70 0.00 0.00 55.95 57.70 1gtz s SER 56 Cb -0.08 0.81 0.47 0.00 -1.71 0.00 0.00 66.02 65.52 1gtz s SER 56 CO -0.02 -0.51 1.42 0.59 1.20 0.00 0.00 173.24 175.92 1gtz n ASN 57 N 1.43 2.63 -4.65 5.45 3.02 -1.26 -2.81 115.26 119.06 1gtz n ASN 57 Ca -0.18 -1.86 -0.36 0.00 -0.03 0.00 0.00 54.58 52.15 1gtz n ASN 57 Cb 0.56 -0.05 -0.10 0.00 -0.61 0.00 0.00 39.78 39.59 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 -1.90 3.30 0.11 3.10 3.76 -1.26 -4.75 115.29 117.65 1gtz s HIS 58 Ca 0.32 0.18 -0.20 0.00 -0.15 0.00 0.00 55.06 55.21 1gtz s HIS 58 Cb 0.21 -2.26 -0.09 0.00 1.11 0.00 0.00 32.58 31.55 1gtz s HIS 58 CO 0.31 0.05 1.72 1.49 -0.85 0.00 0.00 174.74 177.45 1gtz h GLU 59 N 7.51 0.24 -0.75 1.40 4.81 -2.00 -2.27 114.58 123.52 1gtz h GLU 59 Ca -0.38 -0.02 -0.04 0.00 -0.13 0.00 0.00 59.36 58.78 1gtz h GLU 59 Cb 1.17 -0.05 -0.03 0.00 0.63 0.00 0.00 28.75 30.47 1gtz h GLU 59 CO 0.65 0.22 0.29 0.78 -0.73 0.00 0.00 179.01 180.22 1gtz h GLY 60 N 0.19 1.20 0.97 1.92 0.00 -1.99 -2.34 103.07 103.02 1gtz h GLY 60 Ca 0.06 -0.65 -0.05 0.00 0.00 0.00 0.00 47.33 46.69 1gtz h GLY 60 CO -0.01 0.61 0.10 -2.09 0.00 0.00 0.00 176.54 175.15 1gtz h GLU 61 N 1.09 0.76 -0.75 4.80 4.81 -1.87 -1.43 114.58 122.00 1gtz h GLU 61 Ca 0.25 -0.19 0.05 0.00 -0.13 0.00 0.00 59.36 59.34 1gtz h GLU 61 Cb 0.21 -0.09 -0.06 0.00 0.63 0.00 0.00 28.75 29.44 1gtz h GLU 61 CO -0.02 0.76 0.45 -0.07 -0.73 0.00 0.00 179.01 179.40 1gtz h LEU 62 N 0.63 0.70 -0.22 1.64 3.38 -1.37 -0.19 115.31 119.89 1gtz h LEU 62 Ca 0.14 0.02 0.03 0.00 0.09 0.00 0.00 57.88 58.16 1gtz h LEU 62 Cb 0.35 -0.13 -0.03 0.00 0.09 0.00 0.00 40.66 40.95 1gtz h LEU 62 CO 0.01 0.46 0.04 0.58 0.09 0.00 0.00 178.44 179.61 1gtz h VAL 63 N 0.83 0.89 -0.53 1.22 2.07 -1.20 -1.84 116.25 117.70 1gtz h VAL 63 Ca 0.33 -0.04 -0.04 0.00 0.82 0.00 0.00 66.70 67.77 1gtz h VAL 63 Cb 0.15 0.76 -0.03 0.00 -1.52 0.00 0.00 31.29 30.65 1gtz h VAL 63 CO -0.16 0.02 0.18 0.44 0.02 0.00 0.00 177.57 178.07 1gtz h ASP 64 N 0.12 0.71 -0.01 0.57 3.32 -0.79 -2.69 116.42 117.65 1gtz h ASP 64 Ca 0.10 -0.10 -0.14 0.00 0.02 0.00 0.00 57.03 56.92 1gtz h ASP 64 Cb 0.10 -0.18 -0.01 0.00 0.22 0.00 0.00 39.33 39.46 1gtz h ASP 64 CO -0.14 0.66 -0.43 -0.50 -1.72 0.00 0.00 179.24 177.12 1gtz h TRP 65 N 0.76 0.65 -0.70 4.55 6.55 -0.74 -1.94 115.95 125.08 1gtz h TRP 65 Ca 0.18 -0.19 -0.07 0.00 0.95 0.00 0.00 58.89 59.76 1gtz h TRP 65 Cb 0.20 -0.14 -0.03 0.00 -0.86 0.00 0.00 29.16 28.33 1gtz h TRP 65 CO 0.01 0.88 0.18 0.82 -1.05 0.00 0.00 178.44 179.28 1gtz h ILE 66 N 0.44 1.26 -0.83 1.49 2.04 -1.18 -1.33 117.51 119.41 1gtz h ILE 66 Ca 0.03 -0.95 -0.00 0.00 1.00 0.00 0.00 64.86 64.94 1gtz h ILE 66 Cb 0.93 0.53 -0.04 0.00 -0.74 0.00 0.00 36.82 37.50 1gtz h ILE 66 CO 0.08 0.36 0.51 0.45 0.00 0.00 0.00 178.15 179.55 1gtz h HIS 67 N 1.05 1.08 -0.35 1.37 3.86 -1.11 -1.19 115.15 119.87 1gtz h HIS 67 Ca 0.22 0.00 -0.03 0.00 -1.16 0.00 0.00 60.37 59.40 1gtz h HIS 67 Cb 0.35 -0.36 -0.01 0.00 1.06 0.00 0.00 27.41 28.45 1gtz h HIS 67 CO 0.03 0.72 0.10 1.49 0.86 0.00 0.00 177.93 181.13 1gtz h GLU 68 N 1.13 0.55 -0.96 2.45 4.81 -1.01 -2.77 114.58 118.78 1gtz h GLU 68 Ca 0.30 -0.12 0.00 0.00 -0.13 0.00 0.00 59.36 59.41 1gtz h GLU 68 Cb -0.06 -0.08 -0.05 0.00 0.63 0.00 0.00 28.75 29.20 1gtz h GLU 68 CO -0.06 0.58 0.61 0.00 -0.73 0.00 0.00 179.01 179.41 1gtz h ALA 69 N 0.94 1.26 -0.87 2.92 0.00 -0.84 -1.64 119.26 121.03 1gtz h ALA 69 Ca 0.11 -0.09 0.19 0.00 0.00 0.00 0.00 54.91 55.13 1gtz h ALA 69 Cb 0.27 -0.39 -0.11 0.00 0.00 0.00 0.00 17.79 17.55 1gtz h ALA 69 CO -0.00 0.66 0.39 -0.09 0.00 0.00 0.00 179.25 180.21 1gtz h ARG 70 N 1.32 0.44 0.00 0.00 2.43 -0.93 -2.25 114.38 115.39 1gtz h ARG 70 Ca 0.35 -0.03 -0.15 0.00 -0.81 0.00 0.00 59.98 59.35 1gtz h ARG 70 Cb -0.10 -0.10 -0.03 0.00 -0.42 0.00 0.00 29.97 29.33 1gtz h ARG 70 CO -0.07 0.29 -1.60 1.28 -1.51 0.00 0.00 179.97 178.36 1gtz n LEU 71 N -5.00 0.59 0.00 3.80 4.77 -0.93 -4.78 117.00 115.44 1gtz n LEU 71 Ca 0.20 0.25 0.00 0.00 -0.03 0.00 0.00 56.01 56.43 1gtz n LEU 71 Cb 0.57 0.10 0.00 0.00 -2.33 0.00 0.00 43.42 41.77 1gtz n LEU 71 CO 0.15 0.13 -0.02 0.59 -1.33 0.00 0.00 177.39 176.91 1gtz n ASN 72 N -2.73 0.20 -4.42 -1.43 3.02 -0.66 -5.07 115.26 104.17 1gtz n ASN 72 Ca -0.11 -0.39 -0.23 0.00 -0.03 0.00 0.00 54.58 53.82 1gtz n ASN 72 Cb 0.80 0.82 -0.11 0.00 -0.61 0.00 0.00 39.78 40.69 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 -0.86 2.13 -1.49 3.10 3.76 -0.87 -4.45 115.29 116.62 1gtz s HIS 73 Ca 0.00 -0.39 0.26 0.00 -0.15 0.00 0.00 55.06 54.77 1gtz s HIS 73 Cb 0.00 -0.98 0.66 0.00 1.11 0.00 0.00 32.58 33.37 1gtz s HIS 73 CO 0.00 0.56 1.51 0.00 -0.85 0.00 0.00 174.74 175.95 1gtz n GLY 75 N 1.40 0.09 2.90 0.00 0.00 -1.26 -4.47 105.19 103.85 1gtz n GLY 75 Ca 0.10 -1.11 -0.21 0.00 0.00 0.00 0.00 46.02 44.80 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 0.62 -0.33 -0.61 1.01 -0.48 -1.10 121.20 118.31 1gtz s ILE 76 Ca 0.00 -0.16 -0.08 0.00 0.00 0.00 0.00 60.65 60.41 1gtz s ILE 76 Cb 0.00 -0.64 0.02 0.00 0.01 0.00 0.00 42.46 41.85 1gtz s ILE 76 CO 0.00 0.25 0.13 -0.69 0.00 0.00 0.00 174.94 174.63 1gtz s VAL 77 N 0.99 4.17 -0.03 2.92 1.01 -0.32 -1.56 120.40 127.58 1gtz s VAL 77 Ca -0.10 -0.79 0.05 0.00 0.00 0.00 0.00 61.98 61.14 1gtz s VAL 77 Cb -0.14 -3.23 -0.01 0.00 0.00 0.00 0.00 36.38 32.99 1gtz s VAL 77 CO -0.00 -0.05 -0.17 -0.51 0.00 0.00 0.00 175.10 174.36 1gtz s ILE 78 N 1.51 1.40 -0.55 2.22 2.07 0.30 -1.06 121.20 127.07 1gtz s ILE 78 Ca 0.02 -0.73 -0.01 0.00 -1.41 0.00 0.00 60.65 58.52 1gtz s ILE 78 Cb -0.18 -1.18 0.14 0.00 0.13 0.00 0.00 42.46 41.37 1gtz s ILE 78 CO 0.04 0.40 0.34 0.21 -1.91 0.00 0.00 174.94 174.02 1gtz s ASN 79 N -0.19 4.99 0.41 4.50 3.84 -0.52 -0.83 114.94 127.15 1gtz s ASN 79 Ca 0.02 -2.74 0.29 0.00 0.21 0.00 0.00 52.86 50.63 1gtz s ASN 79 Cb -0.09 -1.79 1.42 0.00 -0.55 0.00 0.00 41.25 40.24 1gtz s ASN 79 CO 0.01 -0.36 1.87 1.55 -2.79 0.00 0.00 177.10 177.38 1gtz h PRO 80 N 7.08 0.00 0.00 0.43 0.14 -1.82 1.00 132.00 138.83 1gtz h PRO 80 Ca -0.05 0.00 0.00 0.00 0.14 0.00 0.00 66.00 66.09 1gtz h PRO 80 Cb 0.95 0.00 0.00 0.00 0.14 0.00 0.00 31.00 32.09 1gtz h PRO 80 CO 0.69 0.00 0.00 0.00 0.14 0.00 0.00 178.00 178.83 1gtz n ALA 81 N -1.88 0.00 0.28 -0.56 0.00 -1.26 -2.17 120.51 114.91 1gtz n ALA 81 Ca -0.01 0.00 0.13 0.00 0.00 0.00 0.00 53.44 53.56 1gtz n ALA 81 Cb 0.13 0.00 0.81 0.00 0.00 0.00 0.00 19.45 20.39 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 -0.98 1.58 0.00 0.00 0.00 -1.93 -1.98 119.26 115.95 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 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 17.78 1gtz h ALA 82 CO 0.00 0.04 0.00 1.88 0.00 0.00 0.00 179.25 181.17 1gtz h TYR 83 N 0.00 0.00 -0.80 0.00 0.99 -1.83 -2.27 116.97 113.05 1gtz h TYR 83 Ca -0.00 0.00 0.10 0.00 2.00 0.00 0.00 58.73 60.83 1gtz h TYR 83 Cb 0.08 0.00 -0.08 0.00 1.00 0.00 0.00 36.73 37.73 1gtz h TYR 83 CO 0.00 0.00 0.44 0.77 -0.00 0.00 0.00 178.16 179.37 1gtz h SER 84 N 0.00 0.60 1.76 3.88 0.02 -1.44 -1.59 113.55 116.78 1gtz h SER 84 Ca 0.00 0.06 -0.00 0.00 -0.84 0.00 0.00 61.79 61.01 1gtz h SER 84 Cb 0.22 -0.05 -0.00 0.00 0.14 0.00 0.00 62.40 62.71 1gtz h SER 84 CO 0.00 0.33 -0.24 0.45 -1.14 0.00 0.00 176.83 176.23 1gtz h HIS 85 N 0.72 0.00 0.00 3.45 3.86 -1.58 0.58 115.15 122.18 1gtz h HIS 85 Ca 0.40 0.00 -0.01 0.00 -1.16 0.00 0.00 60.37 59.60 1gtz h HIS 85 Cb 0.42 0.00 -0.00 0.00 1.06 0.00 0.00 27.41 28.89 1gtz h HIS 85 CO -0.08 0.01 -1.10 0.25 0.86 0.00 0.00 177.93 177.88 1gtz n THR 86 N -3.01 0.05 -3.08 2.45 -2.24 -0.93 -4.79 114.28 102.72 1gtz n THR 86 Ca 0.03 -0.06 -0.45 0.00 -2.27 0.00 0.00 64.05 61.31 1gtz n THR 86 Cb 0.54 -0.09 -0.01 0.00 -2.10 0.00 0.00 70.33 68.66 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 -2.61 6.86 0.39 3.42 0.15 -0.65 -4.82 113.70 116.44 1gtz s SER 87 Ca -0.01 -2.63 0.06 0.00 0.70 0.00 0.00 55.95 54.07 1gtz s SER 87 Cb 0.01 -2.33 0.78 0.00 -1.71 0.00 0.00 66.02 62.77 1gtz s SER 87 CO 0.08 -0.77 2.03 0.58 1.20 0.00 0.00 173.24 176.36 1gtz h VAL 88 N 5.01 1.13 -0.69 4.45 2.07 -1.93 -2.78 116.25 123.51 1gtz h VAL 88 Ca 0.19 -0.29 -0.04 0.00 0.82 0.00 0.00 66.70 67.38 1gtz h VAL 88 Cb 0.97 0.49 -0.03 0.00 -1.52 0.00 0.00 31.29 31.21 1gtz h VAL 88 CO 1.04 0.14 0.28 0.00 0.02 0.00 0.00 177.57 179.04 1gtz h ALA 89 N 1.68 0.89 -0.50 1.67 0.00 -1.97 -1.68 119.26 119.35 1gtz h ALA 89 Ca 0.16 -0.18 -0.10 0.00 0.00 0.00 0.00 54.91 54.80 1gtz h ALA 89 Cb -0.02 -0.27 -0.02 0.00 0.00 0.00 0.00 17.79 17.48 1gtz h ALA 89 CO -0.03 0.51 -0.06 0.82 0.00 0.00 0.00 179.25 180.49 1gtz h ILE 90 N 0.98 1.27 -0.02 0.00 2.04 -1.86 -1.43 117.51 118.49 1gtz h ILE 90 Ca 0.23 -1.18 0.03 0.00 1.00 0.00 0.00 64.86 64.94 1gtz h ILE 90 Cb 0.21 1.02 -0.05 0.00 -0.74 0.00 0.00 36.82 37.26 1gtz h ILE 90 CO -0.02 0.41 -0.26 0.25 0.00 0.00 0.00 178.15 178.53 1gtz h LEU 91 N 0.78 -0.78 -1.03 1.44 5.85 -1.26 -1.61 115.31 118.70 1gtz h LEU 91 Ca 0.13 0.11 0.04 0.00 0.84 0.00 0.00 57.88 59.00 1gtz h LEU 91 Cb 0.61 0.32 -0.06 0.00 0.37 0.00 0.00 40.66 41.90 1gtz h LEU 91 CO 0.04 -0.33 0.65 0.44 -0.34 0.00 0.00 178.44 178.90 1gtz h ASP 92 N -0.39 1.08 -0.05 1.25 3.32 -1.23 -0.96 116.42 119.44 1gtz h ASP 92 Ca 0.07 -0.01 -0.00 0.00 0.02 0.00 0.00 57.03 57.11 1gtz h ASP 92 Cb 0.49 -0.25 -0.00 0.00 0.22 0.00 0.00 39.33 39.79 1gtz h ASP 92 CO -0.24 0.74 0.03 0.00 -1.72 0.00 0.00 179.24 178.05 1gtz h ALA 93 N 1.42 0.06 -0.99 3.45 0.00 -0.93 -2.43 119.26 119.84 1gtz h ALA 93 Ca 0.40 -0.02 0.10 0.00 0.00 0.00 0.00 54.91 55.38 1gtz h ALA 93 Cb 0.01 -0.02 -0.08 0.00 0.00 0.00 0.00 17.79 17.70 1gtz h ALA 93 CO -0.12 -0.43 0.63 -0.07 0.00 0.00 0.00 179.25 179.26 1gtz h LEU 94 N 0.04 0.96 -2.00 0.00 3.38 -1.07 -2.61 115.31 114.00 1gtz h LEU 94 Ca 0.02 0.03 -0.02 0.00 0.09 0.00 0.00 57.88 58.00 1gtz h LEU 94 Cb 0.03 -0.17 -0.00 0.00 0.09 0.00 0.00 40.66 40.60 1gtz h LEU 94 CO -0.00 0.56 -0.09 0.78 0.09 0.00 0.00 178.44 179.77 1gtz h ASN 95 N 1.06 0.00 1.03 -0.43 -0.26 -0.69 -2.25 115.58 114.04 1gtz h ASN 95 Ca 0.46 0.00 0.00 0.00 -0.56 0.00 0.00 56.30 56.20 1gtz h ASN 95 Cb 0.35 0.00 0.00 0.00 -1.06 0.00 0.00 38.32 37.61 1gtz h ASN 95 CO -0.22 0.09 0.00 0.71 -1.06 0.00 0.00 177.43 176.96 1gtz h THR 96 N 0.00 0.00 -1.89 2.81 1.35 -1.23 -3.40 112.91 110.54 1gtz h THR 96 Ca -0.00 -0.43 -0.76 0.00 -0.55 0.00 0.00 66.41 64.67 1gtz h THR 96 Cb 0.30 1.31 -0.18 0.00 -1.73 0.00 0.00 68.15 67.85 1gtz h THR 96 CO 0.01 0.00 1.61 0.00 -0.25 0.00 0.00 175.52 176.89 1gtz n ASP 98 N 4.11 2.26 0.00 0.00 2.03 -1.26 -2.19 116.55 121.51 1gtz n ASP 98 Ca 0.37 0.19 0.00 0.00 0.52 0.00 0.00 54.79 55.87 1gtz n ASP 98 Cb 0.38 -1.35 0.00 0.00 -0.72 0.00 0.00 41.12 39.43 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 6.29 2.04 3.70 0.27 0.00 -1.26 -4.99 105.19 111.24 1gtz n GLY 99 Ca 0.40 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 46.00 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 0.26 0.99 2.96 -0.93 -4.97 118.68 121.32 1gtz s LEU 100 Ca 0.00 2.02 -0.31 0.00 -0.22 0.00 0.00 54.13 55.62 1gtz s LEU 100 Cb 0.00 -3.57 -0.12 0.00 0.50 0.00 0.00 46.19 43.00 1gtz s LEU 100 CO 0.00 -0.58 1.67 -2.84 -1.32 0.00 0.00 176.35 173.27 1gtz s PRO 101 N 1.73 4.11 -0.04 0.98 0.02 -1.26 -4.93 135.00 135.61 1gtz s PRO 101 Ca 0.60 2.61 0.00 0.00 0.02 0.00 0.00 61.00 64.23 1gtz s PRO 101 Cb -0.29 -3.04 0.03 0.00 0.02 0.00 0.00 34.50 31.21 1gtz s PRO 101 CO 0.27 -0.71 0.00 0.08 -0.33 0.00 0.00 177.00 176.31 1gtz s VAL 102 N 0.56 0.22 -0.13 3.83 1.01 -1.26 -1.38 120.40 123.25 1gtz s VAL 102 Ca 0.69 0.09 0.02 0.00 0.00 0.00 0.00 61.98 62.78 1gtz s VAL 102 Cb -0.49 -0.33 0.01 0.00 0.00 0.00 0.00 36.38 35.58 1gtz s VAL 102 CO 0.41 0.17 -0.18 -0.69 0.00 0.00 0.00 175.10 174.80 1gtz s VAL 103 N 1.22 1.77 -0.10 2.92 1.01 -0.60 -0.84 120.40 125.77 1gtz s VAL 103 Ca -0.07 -0.80 -0.14 0.00 0.00 0.00 0.00 61.98 60.97 1gtz s VAL 103 Cb -0.13 -1.60 -0.05 0.00 0.00 0.00 0.00 36.38 34.60 1gtz s VAL 103 CO -0.02 0.49 0.33 -0.70 0.00 0.00 0.00 175.10 175.21 1gtz s GLU 104 N 0.96 4.07 -0.09 2.72 2.12 -0.17 -0.54 118.70 127.78 1gtz s GLU 104 Ca -0.05 0.21 0.03 0.00 0.36 0.00 0.00 54.97 55.52 1gtz s GLU 104 Cb -0.15 -3.34 0.01 0.00 0.26 0.00 0.00 34.13 30.91 1gtz s GLU 104 CO -0.03 0.43 -0.19 0.08 -0.54 0.00 0.00 175.26 175.01 1gtz s VAL 105 N -0.15 1.68 -0.10 3.70 1.01 -0.01 -1.27 120.40 125.24 1gtz s VAL 105 Ca 0.20 -0.80 0.04 0.00 0.00 0.00 0.00 61.98 61.42 1gtz s VAL 105 Cb -0.14 -1.47 -0.00 0.00 0.00 0.00 0.00 36.38 34.77 1gtz s VAL 105 CO 0.08 0.47 -0.24 -1.00 0.00 0.00 0.00 175.10 174.41 1gtz s HIS 106 N 0.47 2.57 0.08 5.22 3.76 0.64 -4.08 115.29 123.95 1gtz s HIS 106 Ca -0.17 -1.04 -0.18 0.00 -0.15 0.00 0.00 55.06 53.52 1gtz s HIS 106 Cb -0.17 -1.71 -0.09 0.00 1.11 0.00 0.00 32.58 31.72 1gtz s HIS 106 CO 0.07 -0.41 1.46 0.82 -0.85 0.00 0.00 174.74 175.82 1gtz h ILE 107 N 5.70 1.29 -3.52 0.60 2.04 -1.85 -2.21 117.51 119.56 1gtz h ILE 107 Ca -0.19 -1.13 -0.49 0.00 1.00 0.00 0.00 64.86 64.05 1gtz h ILE 107 Cb 1.24 1.51 0.03 0.00 -0.74 0.00 0.00 36.82 38.86 1gtz h ILE 107 CO 0.47 0.35 0.08 -0.94 0.00 0.00 0.00 178.15 178.12 1gtz s SER 108 N -6.13 6.29 -0.91 1.72 1.04 -1.26 -2.34 113.70 112.11 1gtz s SER 108 Ca -0.13 0.91 -0.21 0.00 0.48 0.00 0.00 55.95 56.99 1gtz s SER 108 Cb 0.07 -2.24 0.10 0.00 0.10 0.00 0.00 66.02 64.05 1gtz s SER 108 CO 0.77 -0.53 1.19 0.21 0.98 0.00 0.00 173.24 175.86 1gtz s ASN 109 N -3.99 6.51 0.53 7.02 3.84 -1.26 -2.22 114.94 125.36 1gtz s ASN 109 Ca 0.47 -1.68 0.22 0.00 0.21 0.00 0.00 52.86 52.08 1gtz s ASN 109 Cb -0.10 -2.45 1.36 0.00 -0.55 0.00 0.00 41.25 39.50 1gtz s ASN 109 CO 0.43 -1.26 2.05 0.16 -2.79 0.00 0.00 177.10 175.68 1gtz h ILE 110 N 6.11 0.82 0.00 -5.21 3.07 -1.92 -2.08 117.51 118.29 1gtz h ILE 110 Ca 0.09 0.00 0.00 0.00 1.55 0.00 0.00 64.86 66.50 1gtz h ILE 110 Cb 1.03 0.82 0.00 0.00 -0.27 0.00 0.00 36.82 38.40 1gtz h ILE 110 CO 1.21 0.00 0.00 0.45 -1.05 0.00 0.00 178.15 178.76 1gtz h HIS 111 N 0.00 0.00 -0.03 0.16 3.86 -1.89 -1.65 115.15 115.61 1gtz h HIS 111 Ca 0.17 0.00 0.00 0.00 -1.16 0.00 0.00 60.37 59.38 1gtz h HIS 111 Cb 0.68 0.00 0.00 0.00 1.06 0.00 0.00 27.41 29.15 1gtz h HIS 111 CO 0.00 0.00 -0.12 1.04 0.86 0.00 0.00 177.93 179.71 1gtz n GLN 112 N -2.99 2.04 0.00 2.45 6.02 -0.78 -4.98 117.38 119.13 1gtz n GLN 112 Ca -0.03 -1.68 0.00 0.00 -0.01 0.00 0.00 57.00 55.28 1gtz n GLN 112 Cb 0.07 -1.47 0.00 0.00 1.02 0.00 0.00 30.24 29.86 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 0.99 3.17 -2.06 -1.09 1.74 -0.62 -5.06 116.66 113.73 1gtz n ARG 113 Ca 0.13 0.00 -0.37 0.00 -0.77 0.00 0.00 57.85 56.84 1gtz n ARG 113 Cb 0.56 0.00 0.02 0.00 -1.02 0.00 0.00 32.46 32.02 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 2.91 3.36 0.53 5.56 8.01 -1.26 -4.90 118.70 132.92 1gtz s GLU 114 Ca 0.00 1.91 0.25 0.00 0.01 0.00 0.00 54.97 57.13 1gtz s GLU 114 Cb 0.00 -2.22 1.39 0.00 -4.31 0.00 0.00 34.13 28.99 1gtz s GLU 114 CO 0.00 -0.92 2.01 -1.35 0.01 0.00 0.00 175.26 175.01 1gtz h PRO 115 N 1.53 0.00 0.00 0.39 0.11 -1.97 0.22 132.00 132.28 1gtz h PRO 115 Ca -0.50 0.00 -0.02 0.00 0.11 0.00 0.00 66.00 65.59 1gtz h PRO 115 Cb 1.28 0.00 -0.00 0.00 0.11 0.00 0.00 31.00 32.38 1gtz h PRO 115 CO 0.58 0.00 -0.09 0.27 -0.21 0.00 0.00 178.00 178.55 1gtz h PHE 116 N 0.00 0.00 -0.05 0.65 -5.15 -1.97 -0.93 116.94 109.49 1gtz h PHE 116 Ca 0.23 0.00 0.00 0.00 -0.20 0.00 0.00 57.97 58.00 1gtz h PHE 116 Cb 0.91 0.00 0.00 0.00 0.22 0.00 0.00 35.95 37.08 1gtz h PHE 116 CO 0.00 0.09 0.00 0.54 -2.00 0.00 0.00 178.31 176.94 1gtz n ARG 117 N -3.40 1.51 0.10 6.09 1.74 0.07 -4.32 116.66 118.45 1gtz n ARG 117 Ca -0.01 -0.75 -0.03 0.00 -0.77 0.00 0.00 57.85 56.29 1gtz n ARG 117 Cb 0.25 -1.45 -0.00 0.00 -1.02 0.00 0.00 32.46 30.24 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 1.72 0.00 -2.81 -1.55 3.86 -1.23 -3.44 115.15 111.71 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 0.37 0.00 -0.09 0.00 1.06 0.00 0.00 27.41 28.75 1gtz h HIS 118 CO 0.03 0.76 -0.51 -1.58 0.86 0.00 0.00 177.93 177.49 1gtz s HIS 119 N -2.97 3.49 -0.07 2.45 5.65 -1.26 -4.93 115.29 117.65 1gtz s HIS 119 Ca 0.01 0.44 0.01 0.00 0.25 0.00 0.00 55.06 55.78 1gtz s HIS 119 Cb 0.10 -1.90 0.02 0.00 -1.18 0.00 0.00 32.58 29.62 1gtz s HIS 119 CO 0.78 0.67 -0.08 0.45 -0.65 0.00 0.00 174.74 175.92 1gtz s SER 120 N -1.02 1.60 0.13 9.88 0.15 -1.26 -4.25 113.70 118.92 1gtz s SER 120 Ca 0.15 -0.23 -0.19 0.00 0.70 0.00 0.00 55.95 56.38 1gtz s SER 120 Cb -0.12 -0.68 -0.02 0.00 -1.71 0.00 0.00 66.02 63.49 1gtz s SER 120 CO 0.04 -0.05 1.75 1.88 1.20 0.00 0.00 173.24 178.07 1gtz h TYR 121 N 7.42 0.16 -0.72 3.44 -1.99 -1.18 -3.06 116.97 121.04 1gtz h TYR 121 Ca -0.32 0.01 0.14 0.00 2.00 0.00 0.00 58.73 60.57 1gtz h TYR 121 Cb 1.16 -0.04 -0.05 0.00 2.00 0.00 0.00 36.73 39.81 1gtz h TYR 121 CO 0.49 0.08 0.48 0.28 -0.00 0.00 0.00 178.16 179.49 1gtz h VAL 122 N 0.20 0.80 0.00 -2.88 2.07 -1.87 -2.78 116.25 111.80 1gtz h VAL 122 Ca 0.10 -0.13 -0.00 0.00 0.82 0.00 0.00 66.70 67.49 1gtz h VAL 122 Cb 0.07 0.38 -0.00 0.00 -1.52 0.00 0.00 31.29 30.22 1gtz h VAL 122 CO -0.10 0.07 -0.00 0.77 0.02 0.00 0.00 177.57 178.33 1gtz h SER 123 N 0.39 0.00 1.19 0.57 4.64 -1.89 -0.72 113.55 117.73 1gtz h SER 123 Ca 0.35 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.67 1gtz h SER 123 Cb 0.82 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.91 1gtz h SER 123 CO -0.11 0.00 -0.12 0.00 -0.87 0.00 0.00 176.83 175.74 1gtz n GLN 124 N -3.10 0.17 -0.06 4.77 1.13 -1.05 -3.69 117.38 115.55 1gtz n GLN 124 Ca -0.03 0.12 -0.06 0.00 -1.94 0.00 0.00 57.00 55.10 1gtz n GLN 124 Cb 0.09 -1.68 -0.09 0.00 0.11 0.00 0.00 30.24 28.68 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 -1.97 2.10 -1.79 -1.09 3.00 -0.69 -5.02 116.66 111.20 1gtz n ARG 125 Ca 0.06 -0.00 -0.36 0.00 -0.00 0.00 0.00 57.85 57.54 1gtz n ARG 125 Cb 0.40 -1.29 0.06 0.00 0.00 0.00 0.00 32.46 31.63 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 -2.27 2.40 0.08 5.13 0.00 -0.36 -4.90 121.76 121.84 1gtz s ALA 126 Ca -0.06 1.14 -0.15 0.00 0.00 0.00 0.00 51.96 52.89 1gtz s ALA 126 Cb 0.03 -3.52 -0.17 0.00 0.00 0.00 0.00 23.12 19.46 1gtz s ALA 126 CO 0.46 -1.50 1.27 -0.44 0.00 0.00 0.00 175.76 175.54 1gtz h ASP 127 N 0.57 0.84 -4.60 0.00 3.32 -1.34 -3.46 116.42 111.76 1gtz h ASP 127 Ca -0.51 -0.64 -0.30 0.00 0.02 0.00 0.00 57.03 55.61 1gtz h ASP 127 Cb 1.32 -0.25 -0.19 0.00 0.22 0.00 0.00 39.33 40.43 1gtz h ASP 127 CO 0.53 1.35 -0.73 -0.83 -1.72 0.00 0.00 179.24 177.84 1gtz s GLY 128 N -4.06 0.68 -0.03 2.75 0.00 -1.20 -5.05 107.32 100.40 1gtz s GLY 128 Ca -0.11 -1.00 -0.01 0.00 0.00 0.00 0.00 44.72 43.60 1gtz s GLY 128 CO 0.88 -1.07 0.06 0.14 0.00 0.00 0.00 173.10 173.12 1gtz s VAL 129 N -2.01 -0.07 -0.16 1.40 1.01 -1.26 -1.00 120.40 118.31 1gtz s VAL 129 Ca -0.01 0.24 0.00 0.00 0.00 0.00 0.00 61.98 62.22 1gtz s VAL 129 Cb -0.06 -0.13 0.02 0.00 0.00 0.00 0.00 36.38 36.22 1gtz s VAL 129 CO -0.00 0.10 -0.15 -0.69 0.00 0.00 0.00 175.10 174.36 1gtz s VAL 130 N 1.29 1.66 0.01 2.92 1.01 -0.40 -4.99 120.40 121.90 1gtz s VAL 130 Ca -0.07 -0.70 0.04 0.00 0.00 0.00 0.00 61.98 61.25 1gtz s VAL 130 Cb -0.13 -1.55 -0.01 0.00 0.00 0.00 0.00 36.38 34.69 1gtz s VAL 130 CO -0.04 0.46 -0.12 0.00 0.00 0.00 0.00 175.10 175.40 1gtz s ALA 131 N 1.45 1.03 -1.10 5.51 0.00 -1.26 -0.26 121.76 127.13 1gtz s ALA 131 Ca 0.05 -0.62 0.00 0.00 0.00 0.00 0.00 51.96 51.38 1gtz s ALA 131 Cb -0.13 -0.22 0.00 0.00 0.00 0.00 0.00 23.12 22.77 1gtz s ALA 131 CO -0.11 0.22 0.00 0.41 0.00 0.00 0.00 175.76 176.28 1gtz n GLY 132 N 2.44 0.54 1.24 0.00 0.00 -0.83 -4.74 105.19 103.84 1gtz n GLY 132 Ca -0.16 -0.44 -0.05 0.00 0.00 0.00 0.00 46.02 45.37 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 -1.11 0.91 0.28 0.00 0.00 -0.99 -2.59 105.19 101.69 1gtz n GLY 134 Ca 0.35 -0.81 0.16 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 0.16 -0.54 1.61 -1.51 -1.89 -1.79 116.25 112.28 1gtz h VAL 135 Ca 0.00 -0.55 0.16 0.00 -1.23 0.00 0.00 66.70 65.08 1gtz h VAL 135 Cb 0.00 1.47 -0.02 0.00 -2.13 0.00 0.00 31.29 30.61 1gtz h VAL 135 CO 0.00 0.05 0.40 -0.61 -1.23 0.00 0.00 177.57 176.18 1gtz h GLN 136 N 0.00 0.00 -0.14 5.19 4.15 -1.97 -1.55 115.11 120.80 1gtz h GLN 136 Ca -0.00 0.00 0.04 0.00 0.77 0.00 0.00 58.65 59.46 1gtz h GLN 136 Cb 0.46 0.00 -0.01 0.00 0.21 0.00 0.00 27.48 28.15 1gtz h GLN 136 CO 0.01 0.00 0.17 0.78 -1.93 0.00 0.00 178.83 177.86 1gtz h GLY 137 N 0.00 0.00 1.03 2.39 0.00 -1.05 -0.53 103.07 104.90 1gtz h GLY 137 Ca 0.26 0.00 -0.12 0.00 0.00 0.00 0.00 47.33 47.47 1gtz h GLY 137 CO -0.00 0.00 -0.24 -0.97 0.00 0.00 0.00 176.54 175.33 1gtz h TYR 138 N 0.00 0.96 -0.67 5.60 -1.99 -1.49 -0.71 116.97 118.67 1gtz h TYR 138 Ca 0.07 -0.26 -0.02 0.00 2.00 0.00 0.00 58.73 60.52 1gtz h TYR 138 Cb 0.40 -0.21 -0.03 0.00 2.00 0.00 0.00 36.73 38.89 1gtz h TYR 138 CO 0.00 1.03 0.35 0.28 -0.00 0.00 0.00 178.16 179.81 1gtz h VAL 139 N 0.62 1.21 -0.56 -2.88 2.07 -1.22 -1.90 116.25 113.58 1gtz h VAL 139 Ca 0.07 -0.55 -0.04 0.00 0.82 0.00 0.00 66.70 67.01 1gtz h VAL 139 Cb 0.81 0.32 -0.03 0.00 -1.52 0.00 0.00 31.29 30.87 1gtz h VAL 139 CO 0.07 0.24 0.17 -0.26 0.02 0.00 0.00 177.57 177.81 1gtz h PHE 140 N 0.94 0.86 -0.04 1.57 0.05 -1.26 -0.16 116.94 118.89 1gtz h PHE 140 Ca 0.24 -0.07 -0.00 0.00 3.82 0.00 0.00 57.97 61.96 1gtz h PHE 140 Cb 0.05 -0.26 -0.00 0.00 2.00 0.00 0.00 35.95 37.75 1gtz h PHE 140 CO 0.01 0.70 0.02 0.78 -0.18 0.00 0.00 178.31 179.64 1gtz h GLY 141 N 0.97 0.06 0.89 -1.45 0.00 -0.49 0.15 103.07 103.19 1gtz h GLY 141 Ca 0.19 -0.03 -0.00 0.00 0.00 0.00 0.00 47.33 47.49 1gtz h GLY 141 CO -0.01 0.03 0.04 -2.08 0.00 0.00 0.00 176.54 174.51 1gtz h VAL 142 N -0.02 1.12 -0.70 4.60 2.07 -1.05 -0.57 116.25 121.69 1gtz h VAL 142 Ca 0.01 -0.35 0.07 0.00 0.82 0.00 0.00 66.70 67.26 1gtz h VAL 142 Cb 0.08 1.20 -0.06 0.00 -1.52 0.00 0.00 31.29 30.99 1gtz h VAL 142 CO -0.00 0.10 0.39 -0.33 0.02 0.00 0.00 177.57 177.74 1gtz h GLU 143 N -0.00 0.68 -0.84 1.57 5.08 -0.79 -0.87 114.58 119.41 1gtz h GLU 143 Ca 0.03 -0.04 -0.03 0.00 -1.00 0.00 0.00 59.36 58.32 1gtz h GLU 143 Cb 0.13 -0.15 -0.04 0.00 0.50 0.00 0.00 28.75 29.19 1gtz h GLU 143 CO -0.00 0.45 0.42 -0.09 -1.00 0.00 0.00 179.01 178.78 1gtz h ARG 144 N 0.70 1.19 -0.50 2.33 9.65 -0.17 -1.74 114.38 125.84 1gtz h ARG 144 Ca 0.32 -0.17 -0.07 0.00 -1.10 0.00 0.00 59.98 58.97 1gtz h ARG 144 Cb 0.23 -0.22 -0.02 0.00 -1.39 0.00 0.00 29.97 28.57 1gtz h ARG 144 CO -0.20 0.91 0.03 0.82 2.80 0.00 0.00 179.97 184.33 1gtz h ILE 145 N 1.18 1.24 -0.65 1.20 1.08 -0.68 -1.22 117.51 119.66 1gtz h ILE 145 Ca 0.29 -0.95 -0.07 0.00 -0.39 0.00 0.00 64.86 63.73 1gtz h ILE 145 Cb 0.09 0.82 -0.03 0.00 -3.07 0.00 0.00 36.82 34.64 1gtz h ILE 145 CO -0.04 0.34 0.11 0.00 -0.69 0.00 0.00 178.15 177.87 1gtz h ALA 146 N 1.28 0.97 -0.54 1.87 0.00 -0.83 0.76 119.26 122.77 1gtz h ALA 146 Ca 0.15 -0.26 -0.11 0.00 0.00 0.00 0.00 54.91 54.69 1gtz h ALA 146 Cb 0.41 -0.25 -0.02 0.00 0.00 0.00 0.00 17.79 17.93 1gtz h ALA 146 CO 0.01 0.65 -0.11 0.00 0.00 0.00 0.00 179.25 179.81 1gtz h ALA 147 N 1.11 0.73 0.01 0.00 0.00 -1.01 -2.45 119.26 117.67 1gtz h ALA 147 Ca 0.20 -0.35 -0.22 0.00 0.00 0.00 0.00 54.91 54.54 1gtz h ALA 147 Cb 0.42 -0.19 -0.00 0.00 0.00 0.00 0.00 17.79 18.02 1gtz h ALA 147 CO 0.01 0.65 -0.95 -0.07 0.00 0.00 0.00 179.25 178.89 1gtz h LEU 148 N 0.89 0.42 -0.15 0.00 3.38 -0.51 -3.32 115.31 116.03 1gtz h LEU 148 Ca 0.14 -0.35 -0.09 0.00 0.09 0.00 0.00 57.88 57.66 1gtz h LEU 148 Cb 0.68 -0.13 0.00 0.00 0.09 0.00 0.00 40.66 41.30 1gtz h LEU 148 CO 0.05 1.16 -0.27 0.00 0.09 0.00 0.00 178.44 179.47 1gtz h ALA 149 N 0.80 0.24 0.00 1.53 0.00 0.60 -3.49 119.26 118.94 1gtz h ALA 149 Ca -0.07 -0.40 0.00 0.00 0.00 0.00 0.00 54.91 54.44 1gtz h ALA 149 Cb 1.59 -0.04 0.00 0.00 0.00 0.00 0.00 17.79 19.34 1gtz h ALA 149 CO 0.16 0.24 0.00 0.41 0.00 0.00 0.00 179.25 180.05