#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 5.76 0.42 0.55 1.04 -1.26 -4.72 113.70 115.49 1gtz s SER 3 Ca 0.00 -0.22 0.09 0.00 0.48 0.00 0.00 55.95 56.31 1gtz s SER 3 Cb 0.00 -1.00 0.91 0.00 0.10 0.00 0.00 66.02 66.03 1gtz s SER 3 CO 0.00 -0.66 2.03 -0.07 0.98 0.00 0.00 173.24 175.52 1gtz h LEU 4 N 0.66 0.32 -0.75 2.42 4.07 -1.81 -2.44 115.31 117.79 1gtz h LEU 4 Ca -0.43 -0.02 -0.11 0.00 0.08 0.00 0.00 57.88 57.40 1gtz h LEU 4 Cb 1.27 -0.08 -0.02 0.00 1.08 0.00 0.00 40.66 42.91 1gtz h LEU 4 CO 0.50 0.30 -0.51 0.00 -1.08 0.00 0.00 178.44 177.65 1gtz h ALA 5 N 1.76 0.93 0.00 1.53 0.00 -1.89 -3.31 119.26 118.27 1gtz h ALA 5 Ca 0.09 -0.46 0.00 0.00 0.00 0.00 0.00 54.91 54.54 1gtz h ALA 5 Cb 0.07 -0.08 0.00 0.00 0.00 0.00 0.00 17.79 17.78 1gtz h ALA 5 CO -0.01 0.64 -1.32 0.09 0.00 0.00 0.00 179.25 178.64 1gtz n ASN 6 N -3.59 0.50 -3.61 0.00 5.03 -1.03 -4.98 115.26 107.57 1gtz n ASN 6 Ca -0.00 -0.08 -0.16 0.00 0.87 0.00 0.00 54.58 55.21 1gtz n ASN 6 Cb 0.59 1.11 -0.07 0.00 -1.02 0.00 0.00 39.78 40.39 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 -3.32 -1.48 0.81 5.41 0.00 -0.95 -4.96 121.76 117.27 1gtz s ALA 7 Ca -0.01 1.17 -0.11 0.00 0.00 0.00 0.00 51.96 53.01 1gtz s ALA 7 Cb 0.13 -0.19 0.07 0.00 0.00 0.00 0.00 23.12 23.14 1gtz s ALA 7 CO 0.84 -0.33 1.09 -1.25 0.00 0.00 0.00 175.76 176.11 1gtz s PRO 8 N -0.91 2.01 -0.26 0.00 0.04 -1.26 -4.28 135.00 130.34 1gtz s PRO 8 Ca -0.09 0.78 -0.20 0.00 0.04 0.00 0.00 61.00 61.53 1gtz s PRO 8 Cb -0.02 -1.90 -0.02 0.00 0.04 0.00 0.00 34.50 32.60 1gtz s PRO 8 CO 0.07 -1.70 0.60 0.42 0.04 0.00 0.00 177.00 176.43 1gtz s ILE 9 N -3.06 5.00 0.10 0.56 1.01 -0.07 -1.76 121.20 122.98 1gtz s ILE 9 Ca 0.61 1.04 -0.30 0.00 0.00 0.00 0.00 60.65 62.00 1gtz s ILE 9 Cb -0.15 -3.91 -0.06 0.00 0.01 0.00 0.00 42.46 38.34 1gtz s ILE 9 CO 0.55 0.02 1.03 -0.32 0.00 0.00 0.00 174.94 176.23 1gtz s MET 10 N 2.47 4.61 -0.24 2.79 -2.45 -0.63 -0.81 119.30 125.05 1gtz s MET 10 Ca 0.25 1.55 -0.00 0.00 -1.25 0.00 0.00 55.69 56.24 1gtz s MET 10 Cb -0.15 -3.36 0.07 0.00 1.25 0.00 0.00 34.83 32.63 1gtz s MET 10 CO 0.09 0.07 0.00 0.42 1.05 0.00 0.00 175.02 176.65 1gtz s ILE 11 N 0.25 1.19 -0.15 10.11 1.01 -0.52 -0.94 121.20 132.15 1gtz s ILE 11 Ca 0.50 -1.13 -0.05 0.00 0.00 0.00 0.00 60.65 59.97 1gtz s ILE 11 Cb -0.25 -1.62 -0.04 0.00 0.01 0.00 0.00 42.46 40.57 1gtz s ILE 11 CO 0.31 -0.25 0.02 -0.76 0.00 0.00 0.00 174.94 174.26 1gtz s LEU 12 N 1.53 3.64 -0.06 2.97 1.43 -0.41 -0.68 118.68 127.10 1gtz s LEU 12 Ca -0.01 0.07 0.04 0.00 -1.03 0.00 0.00 54.13 53.19 1gtz s LEU 12 Cb -0.18 -1.88 -0.00 0.00 0.03 0.00 0.00 46.19 44.15 1gtz s LEU 12 CO -0.10 0.24 -0.19 0.20 0.23 0.00 0.00 176.35 176.74 1gtz s ASN 13 N -0.04 2.42 0.31 2.29 0.01 -0.54 -0.44 114.94 118.95 1gtz s ASN 13 Ca 0.04 -0.41 0.00 0.00 -0.71 0.00 0.00 52.86 51.78 1gtz s ASN 13 Cb -0.13 -0.85 0.00 0.00 0.41 0.00 0.00 41.25 40.68 1gtz s ASN 13 CO 0.02 0.15 0.00 0.61 -1.51 0.00 0.00 177.10 176.36 1gtz n GLY 14 N 3.32 -0.16 3.76 0.66 0.00 0.53 -1.81 105.19 111.49 1gtz n GLY 14 Ca -0.19 -1.76 -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 -0.71 3.38 0.00 1.61 0.04 -1.11 -3.05 135.00 135.15 1gtz s PRO 15 Ca 0.00 2.00 0.00 0.00 0.04 0.00 0.00 61.00 63.04 1gtz s PRO 15 Cb 0.00 -2.29 0.00 0.00 0.04 0.00 0.00 34.50 32.25 1gtz s PRO 15 CO 0.00 -0.92 0.00 0.09 0.04 0.00 0.00 177.00 176.21 1gtz n ASN 16 N -0.86 0.00 0.00 6.66 3.02 -1.26 -4.55 115.26 118.27 1gtz n ASN 16 Ca 0.09 0.00 0.10 0.00 -0.03 0.00 0.00 54.58 54.75 1gtz n ASN 16 Cb 0.47 -0.93 0.50 0.00 -0.61 0.00 0.00 39.78 39.21 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 0.25 3.41 4.77 -1.17 -1.77 117.00 122.49 1gtz n LEU 17 Ca 0.00 0.36 0.11 0.00 -0.03 0.00 0.00 56.01 56.45 1gtz n LEU 17 Cb 0.00 -0.36 0.66 0.00 -2.33 0.00 0.00 43.42 41.39 1gtz n LEU 17 CO 0.00 -0.11 0.93 -0.55 -1.33 0.00 0.00 177.39 176.34 1gtz h ASN 18 N 0.00 0.00 -0.30 -1.43 -1.07 -1.88 -1.61 115.58 109.30 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 0.25 0.00 0.00 0.00 -2.07 0.00 0.00 38.32 36.50 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 -3.69 1.67 -4.75 6.14 4.77 -0.73 -4.88 117.00 115.54 1gtz n LEU 19 Ca -0.02 -0.82 -0.42 0.00 -0.03 0.00 0.00 56.01 54.72 1gtz n LEU 19 Cb 0.27 -0.20 -0.02 0.00 -2.33 0.00 0.00 43.42 41.15 1gtz n LEU 19 CO 0.31 0.41 1.26 -0.11 -1.33 0.00 0.00 177.39 177.94 1gtz n LEU 20 N 0.40 4.38 0.00 2.23 7.94 -0.61 -0.75 117.00 130.59 1gtz n LEU 20 Ca 0.11 1.14 0.00 0.00 -1.11 0.00 0.00 56.01 56.15 1gtz n LEU 20 Cb 0.27 -1.60 0.00 0.00 0.53 0.00 0.00 43.42 42.62 1gtz n LEU 20 CO 0.08 0.18 0.00 0.61 -1.11 0.00 0.00 177.39 177.15 1gtz n GLY 21 N 2.30 3.38 0.06 -3.96 0.00 -1.06 -3.84 105.19 102.08 1gtz n GLY 21 Ca 0.09 0.00 -0.08 0.00 0.00 0.00 0.00 46.02 46.03 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 -1.78 1.15 -4.54 1.61 6.02 0.07 -4.69 117.38 115.22 1gtz n GLN 22 Ca 0.00 0.04 -0.31 0.00 -0.01 0.00 0.00 57.00 56.72 1gtz n GLN 22 Cb 0.00 -1.27 -0.12 0.00 1.02 0.00 0.00 30.24 29.88 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 -2.26 2.78 -1.33 -1.58 0.00 -0.91 -4.77 121.76 113.68 1gtz s ALA 23 Ca -0.13 -1.14 -0.13 0.00 0.00 0.00 0.00 51.96 50.56 1gtz s ALA 23 Cb 0.04 -0.88 0.01 0.00 0.00 0.00 0.00 23.12 22.28 1gtz s ALA 23 CO 0.36 0.59 0.48 1.04 0.00 0.00 0.00 175.76 178.23 1gtz n GLN 24 N 1.45 -1.64 0.30 0.00 6.02 -1.26 -4.73 117.38 117.52 1gtz n GLN 24 Ca -0.16 0.28 0.18 0.00 -0.01 0.00 0.00 57.00 57.29 1gtz n GLN 24 Cb 0.52 -3.78 0.93 0.00 1.02 0.00 0.00 30.24 28.93 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 -2.03 0.00 0.00 -1.09 0.13 -1.86 -0.02 132.00 127.13 1gtz h PRO 25 Ca -0.66 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.47 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 0.58 0.04 0.00 1.05 -0.23 0.00 0.00 178.00 179.44 1gtz h GLU 26 N 0.00 0.00 0.00 0.86 9.09 -1.88 -0.00 114.58 122.65 1gtz h GLU 26 Ca -0.00 0.00 -0.34 0.00 0.05 0.00 0.00 59.36 59.07 1gtz h GLU 26 Cb 0.21 0.00 -0.06 0.00 -1.65 0.00 0.00 28.75 27.25 1gtz h GLU 26 CO 0.00 0.00 -2.21 -0.89 0.05 0.00 0.00 179.01 175.96 1gtz n ILE 27 N -2.99 1.21 0.50 -1.06 5.41 -0.15 -4.79 119.36 117.49 1gtz n ILE 27 Ca 0.01 -0.39 0.06 0.00 1.00 0.00 0.00 62.75 63.43 1gtz n ILE 27 Cb 0.34 -1.49 0.05 0.00 -0.71 0.00 0.00 39.64 37.83 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 -3.50 0.00 0.00 1.39 4.02 -0.43 -4.68 117.16 113.96 1gtz n TYR 28 Ca -0.40 0.00 0.00 0.00 -0.01 0.00 0.00 57.90 57.49 1gtz n TYR 28 Cb 0.86 0.00 0.00 0.00 -0.02 0.00 0.00 39.34 40.18 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 0.69 0.04 0.67 2.72 0.00 -0.02 -4.76 105.19 104.54 1gtz n GLY 29 Ca 0.07 -1.90 0.08 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 -0.49 2.44 -4.79 1.61 7.64 -1.26 -4.00 113.62 114.77 1gtz n SER 30 Ca 0.00 -1.70 -0.36 0.00 1.01 0.00 0.00 58.87 57.82 1gtz n SER 30 Cb 0.00 -0.03 -0.04 0.00 -1.01 0.00 0.00 64.21 63.13 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 -1.33 6.70 0.44 6.43 1.01 -1.26 -4.64 116.67 124.03 1gtz s ASP 31 Ca 0.20 2.01 0.04 0.00 0.71 0.00 0.00 52.55 55.51 1gtz s ASP 31 Cb 0.14 -2.58 0.01 0.00 1.01 0.00 0.00 42.92 41.50 1gtz s ASP 31 CO 0.21 -0.53 0.62 0.42 0.21 0.00 0.00 175.17 176.10 1gtz s THR 32 N -1.72 3.47 0.34 -1.27 -4.23 -1.26 -2.56 115.64 108.40 1gtz s THR 32 Ca 0.59 -0.78 0.01 0.00 -1.18 0.00 0.00 61.69 60.34 1gtz s THR 32 Cb -0.21 -3.24 0.26 0.00 1.34 0.00 0.00 72.50 70.66 1gtz s THR 32 CO 0.26 -0.13 2.00 0.25 -0.54 0.00 0.00 174.62 176.46 1gtz h LEU 33 N 0.49 0.77 -0.57 4.79 5.85 -1.84 0.39 115.31 125.20 1gtz h LEU 33 Ca -0.44 -0.02 0.04 0.00 0.84 0.00 0.00 57.88 58.30 1gtz h LEU 33 Cb 1.27 -0.19 -0.04 0.00 0.37 0.00 0.00 40.66 42.06 1gtz h LEU 33 CO 0.52 0.56 0.32 0.00 -0.34 0.00 0.00 178.44 179.51 1gtz h ALA 34 N 1.58 0.74 -0.75 1.25 0.00 -1.95 0.41 119.26 120.54 1gtz h ALA 34 Ca 0.25 0.00 -0.05 0.00 0.00 0.00 0.00 54.91 55.11 1gtz h ALA 34 Cb -0.10 -0.13 -0.03 0.00 0.00 0.00 0.00 17.79 17.52 1gtz h ALA 34 CO -0.05 0.02 0.27 -0.44 0.00 0.00 0.00 179.25 179.04 1gtz h ASP 35 N 0.63 1.05 -0.53 0.00 3.32 -1.66 -1.15 116.42 118.08 1gtz h ASP 35 Ca 0.24 -0.17 -0.07 0.00 0.02 0.00 0.00 57.03 57.05 1gtz h ASP 35 Cb 0.09 -0.27 -0.02 0.00 0.22 0.00 0.00 39.33 39.34 1gtz h ASP 35 CO -0.13 0.95 0.07 0.58 -1.72 0.00 0.00 179.24 178.99 1gtz h VAL 36 N 1.10 1.25 -0.79 -1.35 2.07 -0.38 -1.58 116.25 116.56 1gtz h VAL 36 Ca 0.25 -0.98 -0.04 0.00 0.82 0.00 0.00 66.70 66.75 1gtz h VAL 36 Cb 0.25 0.73 -0.04 0.00 -1.52 0.00 0.00 31.29 30.71 1gtz h VAL 36 CO -0.02 0.36 0.34 -0.08 0.02 0.00 0.00 177.57 178.19 1gtz h GLU 37 N 0.87 1.16 -0.59 1.57 4.81 -0.59 -1.70 114.58 120.11 1gtz h GLU 37 Ca 0.18 -0.19 -0.03 0.00 -0.13 0.00 0.00 59.36 59.19 1gtz h GLU 37 Cb 0.41 -0.20 -0.03 0.00 0.63 0.00 0.00 28.75 29.57 1gtz h GLU 37 CO 0.01 0.92 0.26 0.00 -0.73 0.00 0.00 179.01 179.47 1gtz h ALA 38 N 1.18 1.35 0.21 2.92 0.00 -0.84 -0.46 119.26 123.62 1gtz h ALA 38 Ca 0.27 -0.14 -0.01 0.00 0.00 0.00 0.00 54.91 55.03 1gtz h ALA 38 Cb 0.18 -0.24 0.00 0.00 0.00 0.00 0.00 17.79 17.73 1gtz h ALA 38 CO -0.03 0.50 -0.10 -0.07 0.00 0.00 0.00 179.25 179.55 1gtz h LEU 39 N 0.83 -0.24 -0.49 0.00 3.38 -0.46 -2.65 115.31 115.69 1gtz h LEU 39 Ca 0.20 0.00 0.03 0.00 0.09 0.00 0.00 57.88 58.21 1gtz h LEU 39 Cb 0.13 0.06 -0.04 0.00 0.09 0.00 0.00 40.66 40.90 1gtz h LEU 39 CO -0.02 -0.16 0.28 0.00 0.09 0.00 0.00 178.44 178.62 1gtz h VAL 41 N 0.55 1.02 -0.12 0.00 2.07 -0.94 -0.91 116.25 117.92 1gtz h VAL 41 Ca 0.21 -0.34 -0.14 0.00 0.82 0.00 0.00 66.70 67.25 1gtz h VAL 41 Cb 0.06 -0.06 0.01 0.00 -1.52 0.00 0.00 31.29 29.77 1gtz h VAL 41 CO -0.11 0.18 -0.46 0.50 0.02 0.00 0.00 177.57 177.70 1gtz h LYS 42 N 0.99 0.53 -0.52 1.57 3.64 -1.42 -0.38 116.57 120.99 1gtz h LYS 42 Ca 0.42 -0.41 -0.05 0.00 -1.27 0.00 0.00 60.65 59.34 1gtz h LYS 42 Cb 0.30 0.08 -0.02 0.00 -0.41 0.00 0.00 32.23 32.18 1gtz h LYS 42 CO -0.17 1.03 0.14 0.00 -2.27 0.00 0.00 179.45 178.18 1gtz h ALA 43 N 0.50 0.68 0.06 5.00 0.00 -1.06 -2.56 119.26 121.89 1gtz h ALA 43 Ca -0.02 -0.20 -0.00 0.00 0.00 0.00 0.00 54.91 54.68 1gtz h ALA 43 Cb 1.09 -0.20 0.00 0.00 0.00 0.00 0.00 17.79 18.68 1gtz h ALA 43 CO 0.10 0.36 -0.03 0.00 0.00 0.00 0.00 179.25 179.68 1gtz h ALA 44 N 1.01 -0.08 -0.98 0.00 0.00 -1.07 -3.05 119.26 115.09 1gtz h ALA 44 Ca 0.17 -0.06 0.14 0.00 0.00 0.00 0.00 54.91 55.16 1gtz h ALA 44 Cb 0.31 0.03 -0.09 0.00 0.00 0.00 0.00 17.79 18.04 1gtz h ALA 44 CO -0.00 -0.50 0.60 0.00 0.00 0.00 0.00 179.25 179.34 1gtz h ALA 45 N 0.76 1.52 -0.03 0.00 0.00 -0.95 0.82 119.26 121.39 1gtz h ALA 45 Ca -0.01 0.05 0.01 0.00 0.00 0.00 0.00 54.91 54.96 1gtz h ALA 45 Cb 0.15 -0.14 -0.00 0.00 0.00 0.00 0.00 17.79 17.79 1gtz h ALA 45 CO 0.01 0.10 0.16 0.00 0.00 0.00 0.00 179.25 179.52 1gtz h ALA 46 N 1.57 1.27 -0.23 0.00 0.00 -1.34 -0.16 119.26 120.38 1gtz h ALA 46 Ca 0.52 -0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.43 1gtz h ALA 46 Cb 0.64 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.43 1gtz h ALA 46 CO -0.31 -0.18 0.00 0.72 0.00 0.00 0.00 179.25 179.48 1gtz n HIS 47 N -3.14 0.30 -1.62 0.00 8.25 -0.26 -4.95 115.22 113.79 1gtz n HIS 47 Ca -0.02 -0.26 -0.02 0.00 -0.26 0.00 0.00 57.72 57.16 1gtz n HIS 47 Cb 0.23 -0.01 -0.00 0.00 1.12 0.00 0.00 29.99 31.32 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 0.76 0.39 2.79 -1.41 0.00 -0.07 -4.86 105.19 102.80 1gtz n GLY 48 Ca 0.11 -0.88 -0.22 0.00 0.00 0.00 0.00 46.02 45.03 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 -1.74 3.33 3.25 -0.02 0.00 0.12 -4.31 105.19 105.81 1gtz n GLY 49 Ca -0.02 -2.30 -0.12 0.00 0.00 0.00 0.00 46.02 43.58 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 -2.23 0.00 0.05 2.61 -4.23 -1.26 -3.21 115.64 107.37 1gtz s THR 50 Ca 0.10 -1.92 0.03 0.00 -1.18 0.00 0.00 61.69 58.71 1gtz s THR 50 Cb -0.01 -2.45 -0.03 0.00 1.34 0.00 0.00 72.50 71.35 1gtz s THR 50 CO 0.06 -0.01 -0.09 0.68 -0.54 0.00 0.00 174.62 174.72 1gtz s VAL 51 N -4.14 0.66 -0.34 2.29 -7.23 -1.26 -0.89 120.40 109.50 1gtz s VAL 51 Ca 0.37 -1.18 0.02 0.00 -1.81 0.00 0.00 61.98 59.38 1gtz s VAL 51 Cb 0.06 -0.77 0.10 0.00 0.56 0.00 0.00 36.38 36.34 1gtz s VAL 51 CO 0.11 -0.38 0.07 -0.62 -0.31 0.00 0.00 175.10 173.97 1gtz s ASP 52 N -1.71 4.50 -0.29 4.85 -1.08 0.01 -4.85 116.67 118.11 1gtz s ASP 52 Ca -0.07 -2.01 -0.10 0.00 -0.52 0.00 0.00 52.55 49.85 1gtz s ASP 52 Cb -0.09 -1.37 -0.03 0.00 -1.46 0.00 0.00 42.92 39.98 1gtz s ASP 52 CO 0.00 -0.39 0.16 0.12 0.52 0.00 0.00 175.17 175.59 1gtz s PHE 53 N 1.11 3.18 0.07 -5.34 5.36 -1.26 -1.44 117.98 119.65 1gtz s PHE 53 Ca 0.11 -0.29 0.01 0.00 -0.96 0.00 0.00 56.93 55.80 1gtz s PHE 53 Cb -0.19 -2.35 -0.04 0.00 -0.34 0.00 0.00 43.02 40.10 1gtz s PHE 53 CO -0.13 -0.34 -0.06 1.03 -1.46 0.00 0.00 175.22 174.26 1gtz s ARG 54 N 1.67 0.69 0.00 10.12 0.52 0.14 -4.99 118.95 127.11 1gtz s ARG 54 Ca 0.06 -1.17 -0.02 0.00 -0.52 0.00 0.00 55.73 54.08 1gtz s ARG 54 Cb -0.16 -0.09 -0.01 0.00 0.52 0.00 0.00 34.95 35.21 1gtz s ARG 54 CO 0.08 -0.03 0.04 -1.14 0.02 0.00 0.00 175.30 174.26 1gtz s GLN 55 N -3.35 0.25 -0.02 3.54 -0.44 -1.26 -1.47 119.66 116.91 1gtz s GLN 55 Ca 0.05 -0.29 -0.19 0.00 -2.50 0.00 0.00 55.36 52.43 1gtz s GLN 55 Cb 0.03 0.10 0.03 0.00 -1.64 0.00 0.00 33.01 31.53 1gtz s GLN 55 CO -0.05 -0.05 0.40 0.45 0.50 0.00 0.00 175.29 176.54 1gtz s SER 56 N -0.85 -0.31 0.00 6.67 0.15 -0.75 -4.97 113.70 113.64 1gtz s SER 56 Ca -0.09 0.24 0.27 0.00 0.70 0.00 0.00 55.95 57.07 1gtz s SER 56 Cb -0.06 0.37 0.86 0.00 -1.71 0.00 0.00 66.02 65.48 1gtz s SER 56 CO -0.00 -0.49 1.63 0.59 1.20 0.00 0.00 173.24 176.17 1gtz n ASN 57 N 1.19 0.82 -4.62 5.45 3.02 -1.26 -2.76 115.26 117.09 1gtz n ASN 57 Ca -0.21 -0.72 -0.38 0.00 -0.03 0.00 0.00 54.58 53.24 1gtz n ASN 57 Cb 0.56 0.08 -0.10 0.00 -0.61 0.00 0.00 39.78 39.72 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 -2.55 3.27 0.31 3.10 3.76 -1.26 -4.72 115.29 117.20 1gtz s HIS 58 Ca 0.24 0.25 -0.00 0.00 -0.15 0.00 0.00 55.06 55.40 1gtz s HIS 58 Cb 0.19 -2.39 0.49 0.00 1.11 0.00 0.00 32.58 31.98 1gtz s HIS 58 CO 0.53 -0.08 1.92 1.49 -0.85 0.00 0.00 174.74 177.75 1gtz h GLU 59 N 7.95 0.89 -0.26 1.40 4.81 -2.00 -2.50 114.58 124.87 1gtz h GLU 59 Ca -0.36 -0.11 -0.13 0.00 -0.13 0.00 0.00 59.36 58.64 1gtz h GLU 59 Cb 1.18 -0.17 -0.01 0.00 0.63 0.00 0.00 28.75 30.37 1gtz h GLU 59 CO 0.62 0.68 -0.37 0.78 -0.73 0.00 0.00 179.01 179.98 1gtz h GLY 60 N 0.96 0.64 0.95 1.92 0.00 -1.99 -1.31 103.07 104.24 1gtz h GLY 60 Ca 0.22 -0.61 -0.05 0.00 0.00 0.00 0.00 47.33 46.89 1gtz h GLY 60 CO -0.03 0.56 0.07 -2.09 0.00 0.00 0.00 176.54 175.05 1gtz h GLU 61 N 0.49 0.69 -0.77 4.80 4.81 -1.90 0.18 114.58 122.89 1gtz h GLU 61 Ca 0.05 -0.18 0.10 0.00 -0.13 0.00 0.00 59.36 59.19 1gtz h GLU 61 Cb 0.87 -0.08 -0.07 0.00 0.63 0.00 0.00 28.75 30.09 1gtz h GLU 61 CO 0.07 0.73 0.41 -0.07 -0.73 0.00 0.00 179.01 179.42 1gtz h LEU 62 N 0.55 0.56 -0.74 1.64 3.38 -1.28 -0.56 115.31 118.87 1gtz h LEU 62 Ca 0.13 0.06 -0.02 0.00 0.09 0.00 0.00 57.88 58.13 1gtz h LEU 62 Cb 0.37 -0.05 -0.03 0.00 0.09 0.00 0.00 40.66 41.04 1gtz h LEU 62 CO 0.01 0.32 0.38 0.58 0.09 0.00 0.00 178.44 179.81 1gtz h VAL 63 N 0.69 1.23 -0.57 1.22 2.07 -0.67 -1.42 116.25 118.80 1gtz h VAL 63 Ca 0.38 -0.63 -0.06 0.00 0.82 0.00 0.00 66.70 67.21 1gtz h VAL 63 Cb 0.38 0.29 -0.02 0.00 -1.52 0.00 0.00 31.29 30.41 1gtz h VAL 63 CO -0.26 0.27 0.13 0.44 0.02 0.00 0.00 177.57 178.16 1gtz h ASP 64 N 1.03 0.88 0.34 0.57 3.32 -0.05 -2.25 116.42 120.26 1gtz h ASP 64 Ca 0.26 -0.24 -0.11 0.00 0.02 0.00 0.00 57.03 56.96 1gtz h ASP 64 Cb 0.08 -0.23 -0.01 0.00 0.22 0.00 0.00 39.33 39.39 1gtz h ASP 64 CO -0.04 0.89 -0.46 -0.50 -1.72 0.00 0.00 179.24 177.42 1gtz h TRP 65 N 0.82 0.18 -0.32 4.55 6.55 -0.96 -0.98 115.95 125.80 1gtz h TRP 65 Ca 0.18 -0.05 -0.02 0.00 0.95 0.00 0.00 58.89 59.95 1gtz h TRP 65 Cb 0.37 -0.04 -0.01 0.00 -0.86 0.00 0.00 29.16 28.61 1gtz h TRP 65 CO 0.03 0.59 0.13 0.82 -1.05 0.00 0.00 178.44 178.95 1gtz h ILE 66 N 0.13 1.18 -0.36 1.49 2.04 -0.92 -1.51 117.51 119.55 1gtz h ILE 66 Ca 0.01 -0.54 0.08 0.00 1.00 0.00 0.00 64.86 65.40 1gtz h ILE 66 Cb 0.86 0.95 -0.08 0.00 -0.74 0.00 0.00 36.82 37.81 1gtz h ILE 66 CO 0.07 0.19 -0.18 0.45 0.00 0.00 0.00 178.15 178.68 1gtz h HIS 67 N 0.36 -0.44 -0.85 1.37 3.86 -1.06 -0.63 115.15 117.76 1gtz h HIS 67 Ca 0.11 0.04 0.04 0.00 -1.16 0.00 0.00 60.37 59.40 1gtz h HIS 67 Cb 0.17 0.25 -0.05 0.00 1.06 0.00 0.00 27.41 28.84 1gtz h HIS 67 CO -0.01 -0.25 0.56 1.49 0.86 0.00 0.00 177.93 180.58 1gtz h GLU 68 N -0.11 1.01 -0.24 2.45 4.81 -0.86 -3.05 114.58 118.58 1gtz h GLU 68 Ca 0.18 -0.06 -0.12 0.00 -0.13 0.00 0.00 59.36 59.24 1gtz h GLU 68 Cb 0.39 -0.23 -0.01 0.00 0.63 0.00 0.00 28.75 29.53 1gtz h GLU 68 CO -0.44 0.67 -0.34 0.00 -0.73 0.00 0.00 179.01 178.17 1gtz h ALA 69 N 1.51 0.96 -0.85 2.92 0.00 -0.51 -2.00 119.26 121.30 1gtz h ALA 69 Ca 0.35 -0.40 0.19 0.00 0.00 0.00 0.00 54.91 55.05 1gtz h ALA 69 Cb 0.07 -0.11 -0.06 0.00 0.00 0.00 0.00 17.79 17.69 1gtz h ALA 69 CO -0.11 0.61 0.57 -0.09 0.00 0.00 0.00 179.25 180.23 1gtz h ARG 70 N 0.44 0.36 0.00 0.00 2.43 -1.03 -1.07 114.38 115.52 1gtz h ARG 70 Ca 0.05 -0.02 -0.36 0.00 -0.81 0.00 0.00 59.98 58.83 1gtz h ARG 70 Cb 0.80 -0.08 -0.07 0.00 -0.42 0.00 0.00 29.97 30.20 1gtz h ARG 70 CO 0.07 0.24 -2.33 1.28 -1.51 0.00 0.00 179.97 177.72 1gtz n LEU 71 N -4.48 0.34 -0.04 3.80 4.77 -0.95 -4.76 117.00 115.67 1gtz n LEU 71 Ca 0.18 0.03 0.01 0.00 -0.03 0.00 0.00 56.01 56.20 1gtz n LEU 71 Cb 0.67 0.35 -0.00 0.00 -2.33 0.00 0.00 43.42 42.10 1gtz n LEU 71 CO 0.32 0.53 0.12 0.59 -1.33 0.00 0.00 177.39 177.61 1gtz n ASN 72 N -2.82 0.57 -4.44 -1.43 3.02 -0.79 -5.07 115.26 104.29 1gtz n ASN 72 Ca -0.32 -0.78 -0.22 0.00 -0.03 0.00 0.00 54.58 53.23 1gtz n ASN 72 Cb 1.14 0.59 -0.10 0.00 -0.61 0.00 0.00 39.78 40.79 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 -0.80 1.99 -1.49 3.10 3.76 -0.44 -4.44 115.29 116.97 1gtz s HIS 73 Ca 0.02 -0.67 0.24 0.00 -0.15 0.00 0.00 55.06 54.49 1gtz s HIS 73 Cb 0.02 -1.12 0.21 0.00 1.11 0.00 0.00 32.58 32.80 1gtz s HIS 73 CO 0.07 0.32 1.21 0.00 -0.85 0.00 0.00 174.74 175.49 1gtz n GLY 75 N 1.44 -0.15 2.94 0.00 0.00 -1.26 -4.37 105.19 103.78 1gtz n GLY 75 Ca 0.08 -0.97 -0.22 0.00 0.00 0.00 0.00 46.02 44.91 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 0.79 -0.23 -0.61 1.01 -0.16 -1.61 121.20 118.40 1gtz s ILE 76 Ca 0.00 -0.26 -0.06 0.00 0.00 0.00 0.00 60.65 60.34 1gtz s ILE 76 Cb 0.00 -0.77 -0.02 0.00 0.01 0.00 0.00 42.46 41.67 1gtz s ILE 76 CO 0.00 0.28 0.02 -0.69 0.00 0.00 0.00 174.94 174.56 1gtz s VAL 77 N 0.93 4.02 -0.03 2.92 1.01 -0.12 -1.03 120.40 128.10 1gtz s VAL 77 Ca -0.10 -0.28 0.04 0.00 0.00 0.00 0.00 61.98 61.64 1gtz s VAL 77 Cb -0.15 -2.85 -0.00 0.00 0.00 0.00 0.00 36.38 33.38 1gtz s VAL 77 CO 0.01 0.39 -0.15 -0.51 0.00 0.00 0.00 175.10 174.83 1gtz s ILE 78 N 1.36 1.27 -0.46 2.22 2.07 0.15 -1.29 121.20 126.52 1gtz s ILE 78 Ca 0.05 -0.64 -0.07 0.00 -1.41 0.00 0.00 60.65 58.58 1gtz s ILE 78 Cb -0.15 -1.09 0.12 0.00 0.13 0.00 0.00 42.46 41.47 1gtz s ILE 78 CO 0.02 0.37 0.32 0.21 -1.91 0.00 0.00 174.94 173.94 1gtz s ASN 79 N 0.01 5.58 0.25 4.50 3.84 0.41 -0.95 114.94 128.59 1gtz s ASN 79 Ca -0.02 -1.98 0.25 0.00 0.21 0.00 0.00 52.86 51.31 1gtz s ASN 79 Cb -0.10 -1.96 0.91 0.00 -0.55 0.00 0.00 41.25 39.55 1gtz s ASN 79 CO 0.01 -0.64 1.75 -2.65 -2.79 0.00 0.00 177.10 172.77 1gtz n PRO 80 N 4.77 0.23 0.00 0.43 -0.02 -1.26 -0.34 135.00 138.81 1gtz n PRO 80 Ca -0.06 0.34 0.00 0.00 -2.02 0.00 0.00 63.50 61.77 1gtz n PRO 80 Cb 0.41 -1.86 0.00 0.00 -0.02 0.00 0.00 33.50 32.03 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 -1.79 0.00 0.29 3.55 0.00 -1.26 -1.70 120.51 119.60 1gtz n ALA 81 Ca 0.04 0.00 0.14 0.00 0.00 0.00 0.00 53.44 53.62 1gtz n ALA 81 Cb 0.32 0.00 0.88 0.00 0.00 0.00 0.00 19.45 20.65 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 -0.78 1.61 0.00 0.00 0.00 -1.93 -0.19 119.26 117.97 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 -0.01 0.00 0.66 0.00 0.00 0.00 179.25 179.90 1gtz n TYR 83 N -3.94 0.53 -0.23 0.00 0.53 -0.69 -2.38 117.16 110.97 1gtz n TYR 83 Ca -0.03 0.19 0.03 0.00 -1.02 0.00 0.00 57.90 57.07 1gtz n TYR 83 Cb 0.09 -0.80 0.13 0.00 -1.03 0.00 0.00 39.34 37.73 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 -0.33 1.38 7.72 0.02 -1.02 -1.27 113.55 120.04 1gtz h SER 84 Ca 0.00 0.18 -0.12 0.00 -0.84 0.00 0.00 61.79 61.01 1gtz h SER 84 Cb 0.43 0.32 -0.02 0.00 0.14 0.00 0.00 62.40 63.27 1gtz h SER 84 CO 0.00 -0.15 -0.64 0.45 -1.14 0.00 0.00 176.83 175.35 1gtz h HIS 85 N 0.11 0.00 0.00 3.45 3.86 -1.64 -0.38 115.15 120.55 1gtz h HIS 85 Ca 0.37 0.00 0.00 0.00 -1.16 0.00 0.00 60.37 59.58 1gtz h HIS 85 Cb 0.63 0.00 0.00 0.00 1.06 0.00 0.00 27.41 29.10 1gtz h HIS 85 CO -0.41 0.54 -0.13 0.25 0.86 0.00 0.00 177.93 179.05 1gtz n THR 86 N -3.20 0.00 -3.33 2.45 -2.24 -1.01 -4.81 114.28 102.14 1gtz n THR 86 Ca 0.01 -0.36 -0.46 0.00 -2.27 0.00 0.00 64.05 60.97 1gtz n THR 86 Cb 0.76 0.91 -0.04 0.00 -2.10 0.00 0.00 70.33 69.87 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 -0.97 6.45 0.43 3.42 0.15 -0.51 -4.82 113.70 117.85 1gtz s SER 87 Ca 0.00 -2.26 0.20 0.00 0.70 0.00 0.00 55.95 54.59 1gtz s SER 87 Cb 0.00 -2.20 0.95 0.00 -1.71 0.00 0.00 66.02 63.06 1gtz s SER 87 CO 0.00 -0.70 1.87 0.58 1.20 0.00 0.00 173.24 176.19 1gtz h VAL 88 N 5.33 0.85 -0.66 4.45 2.07 -1.94 -2.83 116.25 123.50 1gtz h VAL 88 Ca -0.09 -1.11 -0.04 0.00 0.82 0.00 0.00 66.70 66.28 1gtz h VAL 88 Cb 1.07 1.67 -0.03 0.00 -1.52 0.00 0.00 31.29 32.48 1gtz h VAL 88 CO 0.89 0.27 0.26 0.00 0.02 0.00 0.00 177.57 179.01 1gtz h ALA 89 N 1.72 1.21 0.02 1.67 0.00 -1.98 -0.02 119.26 121.88 1gtz h ALA 89 Ca -0.00 -0.17 -0.26 0.00 0.00 0.00 0.00 54.91 54.48 1gtz h ALA 89 Cb 0.65 -0.27 0.02 0.00 0.00 0.00 0.00 17.79 18.19 1gtz h ALA 89 CO 0.04 0.58 -1.04 0.82 0.00 0.00 0.00 179.25 179.64 1gtz h ILE 90 N 0.96 1.32 0.12 0.00 2.04 -1.89 -0.29 117.51 119.78 1gtz h ILE 90 Ca 0.22 -2.35 0.01 0.00 1.00 0.00 0.00 64.86 63.74 1gtz h ILE 90 Cb 0.19 2.44 -0.02 0.00 -0.74 0.00 0.00 36.82 38.69 1gtz h ILE 90 CO -0.02 0.72 -0.19 0.25 0.00 0.00 0.00 178.15 178.91 1gtz h LEU 91 N 0.32 -0.52 -0.99 1.44 5.85 -1.22 -0.96 115.31 119.23 1gtz h LEU 91 Ca -0.12 0.06 0.02 0.00 0.84 0.00 0.00 57.88 58.68 1gtz h LEU 91 Cb 1.69 0.19 -0.05 0.00 0.37 0.00 0.00 40.66 42.86 1gtz h LEU 91 CO 0.20 -0.27 0.66 0.44 -0.34 0.00 0.00 178.44 179.12 1gtz h ASP 92 N -0.37 1.12 -0.94 1.25 3.32 -0.83 -0.49 116.42 119.49 1gtz h ASP 92 Ca 0.02 -0.02 0.03 0.00 0.02 0.00 0.00 57.03 57.08 1gtz h ASP 92 Cb 0.38 -0.27 -0.05 0.00 0.22 0.00 0.00 39.33 39.61 1gtz h ASP 92 CO -0.09 0.80 0.61 0.00 -1.72 0.00 0.00 179.24 178.84 1gtz h ALA 93 N 1.38 1.22 0.00 3.45 0.00 -0.55 -2.40 119.26 122.36 1gtz h ALA 93 Ca 0.38 -0.05 -0.05 0.00 0.00 0.00 0.00 54.91 55.18 1gtz h ALA 93 Cb -0.10 -0.35 -0.01 0.00 0.00 0.00 0.00 17.79 17.34 1gtz h ALA 93 CO -0.10 0.51 -0.26 -0.07 0.00 0.00 0.00 179.25 179.34 1gtz h LEU 94 N 1.21 0.00 -1.17 0.00 3.38 -0.60 -2.23 115.31 115.90 1gtz h LEU 94 Ca 0.36 0.00 -0.01 0.00 0.09 0.00 0.00 57.88 58.32 1gtz h LEU 94 Cb -0.05 0.00 -0.00 0.00 0.09 0.00 0.00 40.66 40.70 1gtz h LEU 94 CO -0.11 0.26 -0.04 0.78 0.09 0.00 0.00 178.44 179.42 1gtz h ASN 95 N 0.00 0.00 0.81 -0.43 -0.26 -0.59 -2.72 115.58 112.38 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 0.64 0.00 0.00 0.00 -1.06 0.00 0.00 38.32 37.90 1gtz h ASN 95 CO 0.03 0.04 0.00 0.35 -1.06 0.00 0.00 177.43 176.80 1gtz n THR 96 N -3.15 0.29 -3.09 2.81 -2.24 -0.84 -4.46 114.28 103.60 1gtz n THR 96 Ca 0.01 0.07 -0.42 0.00 -2.27 0.00 0.00 64.05 61.44 1gtz n THR 96 Cb 0.36 -0.65 0.00 0.00 -2.10 0.00 0.00 70.33 67.95 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 1.52 2.81 0.00 0.00 2.03 -1.26 -2.42 116.55 119.22 1gtz n ASP 98 Ca 0.26 0.18 0.00 0.00 0.52 0.00 0.00 54.79 55.75 1gtz n ASP 98 Cb 0.35 -1.47 0.00 0.00 -0.72 0.00 0.00 41.12 39.28 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 2.69 3.72 0.27 0.00 -1.26 -5.00 105.19 111.64 1gtz n GLY 99 Ca 0.34 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.95 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 4.38 0.32 0.99 2.96 -1.02 -4.96 118.68 121.36 1gtz s LEU 100 Ca 0.00 2.45 -0.29 0.00 -0.22 0.00 0.00 54.13 56.07 1gtz s LEU 100 Cb 0.00 -3.60 -0.11 0.00 0.50 0.00 0.00 46.19 42.98 1gtz s LEU 100 CO 0.00 -0.67 1.46 -2.84 -1.32 0.00 0.00 176.35 172.98 1gtz s PRO 101 N 0.65 4.20 -0.02 0.98 0.02 -1.26 -4.90 135.00 134.66 1gtz s PRO 101 Ca 0.63 2.44 -0.00 0.00 0.02 0.00 0.00 61.00 64.10 1gtz s PRO 101 Cb -0.39 -3.03 0.03 0.00 0.02 0.00 0.00 34.50 31.13 1gtz s PRO 101 CO 0.34 -0.46 0.03 0.08 -0.33 0.00 0.00 177.00 176.66 1gtz s VAL 102 N -0.65 -0.05 -0.09 3.83 1.01 -1.26 -0.99 120.40 122.20 1gtz s VAL 102 Ca 0.56 0.19 0.02 0.00 0.00 0.00 0.00 61.98 62.74 1gtz s VAL 102 Cb -0.44 -0.08 0.02 0.00 0.00 0.00 0.00 36.38 35.87 1gtz s VAL 102 CO 0.54 0.08 -0.13 -0.69 0.00 0.00 0.00 175.10 174.89 1gtz s VAL 103 N 0.93 1.26 -0.07 2.92 1.01 -0.20 -0.42 120.40 125.84 1gtz s VAL 103 Ca -0.08 -0.52 -0.08 0.00 0.00 0.00 0.00 61.98 61.31 1gtz s VAL 103 Cb -0.11 -1.17 -0.04 0.00 0.00 0.00 0.00 36.38 35.06 1gtz s VAL 103 CO -0.03 0.39 0.21 -0.70 0.00 0.00 0.00 175.10 174.98 1gtz s GLU 104 N 0.93 3.55 -0.05 2.72 2.12 -0.45 -0.67 118.70 126.85 1gtz s GLU 104 Ca -0.09 -0.03 0.02 0.00 0.36 0.00 0.00 54.97 55.23 1gtz s GLU 104 Cb -0.15 -3.17 0.02 0.00 0.26 0.00 0.00 34.13 31.08 1gtz s GLU 104 CO 0.00 0.74 -0.09 0.08 -0.54 0.00 0.00 175.26 175.45 1gtz s VAL 105 N -1.10 0.86 -0.13 3.70 1.01 -0.13 -0.84 120.40 123.77 1gtz s VAL 105 Ca 0.19 -0.33 0.03 0.00 0.00 0.00 0.00 61.98 61.87 1gtz s VAL 105 Cb -0.13 -0.81 0.00 0.00 0.00 0.00 0.00 36.38 35.44 1gtz s VAL 105 CO 0.09 0.29 -0.21 -1.00 0.00 0.00 0.00 175.10 174.26 1gtz s HIS 106 N 0.69 2.65 0.12 5.22 3.76 -0.45 -4.13 115.29 123.14 1gtz s HIS 106 Ca -0.12 -1.15 -0.18 0.00 -0.15 0.00 0.00 55.06 53.46 1gtz s HIS 106 Cb -0.14 -1.78 -0.04 0.00 1.11 0.00 0.00 32.58 31.72 1gtz s HIS 106 CO 0.02 -0.50 1.66 0.82 -0.85 0.00 0.00 174.74 175.89 1gtz h ILE 107 N 5.73 1.18 -3.43 0.60 2.04 -1.87 -2.39 117.51 119.37 1gtz h ILE 107 Ca -0.27 -0.56 -0.49 0.00 1.00 0.00 0.00 64.86 64.54 1gtz h ILE 107 Cb 1.21 0.96 0.02 0.00 -0.74 0.00 0.00 36.82 38.28 1gtz h ILE 107 CO 0.52 0.20 0.04 -0.94 0.00 0.00 0.00 178.15 177.97 1gtz s SER 108 N -5.75 6.31 -0.95 1.72 1.04 -1.26 -1.79 113.70 113.02 1gtz s SER 108 Ca -0.13 0.86 -0.22 0.00 0.48 0.00 0.00 55.95 56.93 1gtz s SER 108 Cb 0.09 -2.21 0.07 0.00 0.10 0.00 0.00 66.02 64.07 1gtz s SER 108 CO 0.73 -0.48 1.32 0.21 0.98 0.00 0.00 173.24 176.00 1gtz s ASN 109 N -3.90 6.49 0.51 7.02 3.84 -1.26 -2.33 114.94 125.31 1gtz s ASN 109 Ca 0.46 -1.51 0.22 0.00 0.21 0.00 0.00 52.86 52.24 1gtz s ASN 109 Cb -0.10 -2.51 1.31 0.00 -0.55 0.00 0.00 41.25 39.39 1gtz s ASN 109 CO 0.41 -1.41 2.02 0.16 -2.79 0.00 0.00 177.10 175.49 1gtz h ILE 110 N 6.42 0.81 0.00 -5.21 3.07 -1.92 -2.52 117.51 118.15 1gtz h ILE 110 Ca 0.12 -0.03 0.00 0.00 1.55 0.00 0.00 64.86 66.51 1gtz h ILE 110 Cb 1.02 0.73 0.00 0.00 -0.27 0.00 0.00 36.82 38.30 1gtz h ILE 110 CO 1.31 0.01 0.00 1.41 -1.05 0.00 0.00 178.15 179.84 1gtz n HIS 111 N -4.43 0.16 0.69 0.16 8.25 -1.26 -1.62 115.22 117.17 1gtz n HIS 111 Ca 0.07 0.07 0.10 0.00 -0.26 0.00 0.00 57.72 57.70 1gtz n HIS 111 Cb 0.47 -0.61 0.10 0.00 1.12 0.00 0.00 29.99 31.07 1gtz n HIS 111 CO 0.00 0.00 0.00 1.04 0.64 0.00 0.00 176.34 178.02 1gtz n GLN 112 N -1.65 1.77 -0.67 -0.41 6.02 -0.95 -4.98 117.38 116.51 1gtz n GLN 112 Ca 0.02 -1.72 0.00 0.00 -0.01 0.00 0.00 57.00 55.29 1gtz n GLN 112 Cb 0.13 -1.38 0.00 0.00 1.02 0.00 0.00 30.24 30.02 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 1.09 2.36 -1.68 -1.09 1.74 -0.64 -5.06 116.66 113.38 1gtz n ARG 113 Ca 0.12 0.00 -0.37 0.00 -0.77 0.00 0.00 57.85 56.83 1gtz n ARG 113 Cb 0.49 0.00 0.06 0.00 -1.02 0.00 0.00 32.46 31.99 1gtz n ARG 113 CO 0.00 0.00 0.00 0.39 -1.52 0.00 0.00 177.63 176.50 1gtz n GLU 114 N -0.32 1.08 -0.07 5.56 4.71 -1.26 -4.88 120.64 125.46 1gtz n GLU 114 Ca 0.00 0.42 0.24 0.00 -0.01 0.00 0.00 57.16 57.81 1gtz n GLU 114 Cb 0.00 -2.38 0.71 0.00 -1.01 0.00 0.00 31.44 28.76 1gtz n GLU 114 CO 0.00 0.00 0.00 -1.35 0.09 0.00 0.00 177.13 175.87 1gtz h PRO 115 N 0.61 0.00 0.00 3.49 0.11 -1.96 0.20 132.00 134.45 1gtz h PRO 115 Ca -0.50 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.61 1gtz h PRO 115 Cb 1.35 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.46 1gtz h PRO 115 CO 0.52 0.00 0.00 0.27 -0.21 0.00 0.00 178.00 178.58 1gtz h PHE 116 N 0.00 0.00 -0.01 0.65 -5.15 -1.97 -1.46 116.94 109.00 1gtz h PHE 116 Ca 0.32 0.00 0.00 0.00 -0.20 0.00 0.00 57.97 58.09 1gtz h PHE 116 Cb 1.32 0.00 0.00 0.00 0.22 0.00 0.00 35.95 37.49 1gtz h PHE 116 CO 0.00 0.00 -0.22 0.54 -2.00 0.00 0.00 178.31 176.63 1gtz n ARG 117 N -2.76 0.85 0.20 6.09 1.74 0.70 -4.43 116.66 119.05 1gtz n ARG 117 Ca 0.01 -0.47 0.08 0.00 -0.77 0.00 0.00 57.85 56.70 1gtz n ARG 117 Cb 0.25 -1.49 0.29 0.00 -1.02 0.00 0.00 32.46 30.49 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 1.14 0.00 -3.26 -1.55 3.86 -1.34 -3.44 115.15 110.56 1gtz h HIS 118 Ca 0.00 0.00 -0.61 0.00 -1.16 0.00 0.00 60.37 58.60 1gtz h HIS 118 Cb 0.48 0.00 -0.14 0.00 1.06 0.00 0.00 27.41 28.81 1gtz h HIS 118 CO 0.00 0.28 -0.53 -1.58 0.86 0.00 0.00 177.93 176.95 1gtz s HIS 119 N -3.38 3.32 -0.10 2.45 5.65 -1.26 -4.93 115.29 117.04 1gtz s HIS 119 Ca 0.02 0.19 0.02 0.00 0.25 0.00 0.00 55.06 55.54 1gtz s HIS 119 Cb 0.09 -2.10 0.01 0.00 -1.18 0.00 0.00 32.58 29.40 1gtz s HIS 119 CO 0.67 0.23 -0.15 0.45 -0.65 0.00 0.00 174.74 175.30 1gtz s SER 120 N 0.30 2.35 0.21 9.88 0.15 -1.26 -4.20 113.70 121.13 1gtz s SER 120 Ca 0.06 -0.41 -0.08 0.00 0.70 0.00 0.00 55.95 56.21 1gtz s SER 120 Cb -0.12 -1.05 0.16 0.00 -1.71 0.00 0.00 66.02 63.30 1gtz s SER 120 CO -0.01 0.02 1.80 1.88 1.20 0.00 0.00 173.24 178.13 1gtz h TYR 121 N 7.35 1.16 -0.84 3.44 -1.99 -1.37 -3.03 116.97 121.69 1gtz h TYR 121 Ca -0.30 -0.06 0.07 0.00 2.00 0.00 0.00 58.73 60.44 1gtz h TYR 121 Cb 1.18 -0.36 -0.07 0.00 2.00 0.00 0.00 36.73 39.48 1gtz h TYR 121 CO 0.48 0.85 0.51 0.28 -0.00 0.00 0.00 178.16 180.28 1gtz h VAL 122 N 1.14 0.99 -0.01 -2.88 2.07 -1.86 -2.97 116.25 112.72 1gtz h VAL 122 Ca 0.27 -0.31 0.00 0.00 0.82 0.00 0.00 66.70 67.49 1gtz h VAL 122 Cb 0.13 0.01 -0.00 0.00 -1.52 0.00 0.00 31.29 29.92 1gtz h VAL 122 CO -0.03 0.16 0.08 0.77 0.02 0.00 0.00 177.57 178.57 1gtz h SER 123 N 0.90 0.00 1.08 0.57 4.64 -1.89 -0.20 113.55 118.65 1gtz h SER 123 Ca 0.38 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.70 1gtz h SER 123 Cb 0.25 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.34 1gtz h SER 123 CO -0.20 0.00 0.00 0.00 -0.87 0.00 0.00 176.83 175.76 1gtz n GLN 124 N -3.15 0.20 -0.08 4.77 10.64 -1.12 -3.72 117.38 124.92 1gtz n GLN 124 Ca -0.03 0.29 -0.11 0.00 -1.83 0.00 0.00 57.00 55.33 1gtz n GLN 124 Cb 0.15 -1.80 -0.09 0.00 -0.86 0.00 0.00 30.24 27.64 1gtz n GLN 124 CO 0.00 0.00 0.00 -2.13 -1.83 0.00 0.00 177.06 173.10 1gtz n ARG 125 N -2.17 0.79 -1.61 2.61 3.00 -0.27 -5.02 116.66 114.00 1gtz n ARG 125 Ca 0.04 0.07 -0.44 0.00 -0.00 0.00 0.00 57.85 57.52 1gtz n ARG 125 Cb 0.33 -1.35 -0.01 0.00 0.00 0.00 0.00 32.46 31.42 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 -2.88 -0.00 0.00 5.13 0.00 -0.25 -4.88 120.51 117.64 1gtz n ALA 126 Ca -0.29 0.39 -0.08 0.00 0.00 0.00 0.00 53.44 53.46 1gtz n ALA 126 Cb 0.86 -2.06 0.09 0.00 0.00 0.00 0.00 19.45 18.34 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 2.11 0.59 -5.09 0.00 3.32 -1.08 -3.46 116.42 112.81 1gtz h ASP 127 Ca -0.41 -0.29 -0.14 0.00 0.02 0.00 0.00 57.03 56.21 1gtz h ASP 127 Cb 1.33 -0.17 -0.18 0.00 0.22 0.00 0.00 39.33 40.53 1gtz h ASP 127 CO 0.61 0.97 -0.65 -0.83 -1.72 0.00 0.00 179.24 177.62 1gtz s GLY 128 N -4.09 0.30 -0.04 2.75 0.00 -1.19 -5.06 107.32 99.99 1gtz s GLY 128 Ca -0.07 -0.79 -0.02 0.00 0.00 0.00 0.00 44.72 43.84 1gtz s GLY 128 CO 0.83 -0.89 0.05 0.14 0.00 0.00 0.00 173.10 173.23 1gtz s VAL 129 N -2.53 -0.03 -0.12 1.40 1.01 -1.26 -1.34 120.40 117.52 1gtz s VAL 129 Ca -0.06 0.36 0.01 0.00 0.00 0.00 0.00 61.98 62.29 1gtz s VAL 129 Cb -0.02 -0.20 -0.01 0.00 0.00 0.00 0.00 36.38 36.14 1gtz s VAL 129 CO -0.05 0.18 -0.14 -0.69 0.00 0.00 0.00 175.10 174.40 1gtz s VAL 130 N 2.04 2.94 0.00 2.92 1.01 -0.02 -4.98 120.40 124.31 1gtz s VAL 130 Ca 0.04 -0.71 0.01 0.00 0.00 0.00 0.00 61.98 61.32 1gtz s VAL 130 Cb -0.12 -2.22 -0.01 0.00 0.00 0.00 0.00 36.38 34.03 1gtz s VAL 130 CO -0.03 0.53 -0.05 0.00 0.00 0.00 0.00 175.10 175.55 1gtz s ALA 131 N 0.25 0.38 -0.92 5.51 0.00 -1.26 -1.34 121.76 124.38 1gtz s ALA 131 Ca -0.10 -0.27 0.00 0.00 0.00 0.00 0.00 51.96 51.59 1gtz s ALA 131 Cb -0.16 -0.07 0.00 0.00 0.00 0.00 0.00 23.12 22.90 1gtz s ALA 131 CO 0.06 0.07 0.00 0.41 0.00 0.00 0.00 175.76 176.29 1gtz n GLY 132 N 2.73 0.88 1.68 0.00 0.00 -0.90 -4.75 105.19 104.83 1gtz n GLY 132 Ca -0.14 -0.61 0.08 0.00 0.00 0.00 0.00 46.02 45.34 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 0.55 0.32 0.24 0.00 0.00 -0.74 -3.08 105.19 102.48 1gtz n GLY 134 Ca 0.26 -0.94 0.11 0.00 0.00 0.00 0.00 46.02 45.46 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 0.62 -0.28 1.61 -1.51 -1.89 -1.99 116.25 112.81 1gtz h VAL 135 Ca 0.00 -0.82 0.08 0.00 -1.23 0.00 0.00 66.70 64.73 1gtz h VAL 135 Cb 0.00 1.53 -0.01 0.00 -2.13 0.00 0.00 31.29 30.68 1gtz h VAL 135 CO 0.00 0.18 0.33 -0.61 -1.23 0.00 0.00 177.57 176.24 1gtz h GLN 136 N 0.00 0.00 -1.00 5.19 4.15 -1.96 -1.89 115.11 119.60 1gtz h GLN 136 Ca -0.00 0.00 0.05 0.00 0.77 0.00 0.00 58.65 59.47 1gtz h GLN 136 Cb 0.51 0.00 -0.06 0.00 0.21 0.00 0.00 27.48 28.14 1gtz h GLN 136 CO 0.02 0.00 0.65 0.78 -1.93 0.00 0.00 178.83 178.35 1gtz h GLY 137 N 0.00 1.49 0.99 2.39 0.00 -1.29 -1.02 103.07 105.62 1gtz h GLY 137 Ca 0.14 -0.49 0.02 0.00 0.00 0.00 0.00 47.33 47.00 1gtz h GLY 137 CO -0.00 0.38 0.63 -0.97 0.00 0.00 0.00 176.54 176.58 1gtz h TYR 138 N 1.22 1.19 -0.41 5.60 -1.99 -1.54 -0.85 116.97 120.19 1gtz h TYR 138 Ca 0.41 0.03 -0.09 0.00 2.00 0.00 0.00 58.73 61.08 1gtz h TYR 138 Cb 0.09 -0.40 -0.01 0.00 2.00 0.00 0.00 36.73 38.41 1gtz h TYR 138 CO -0.00 0.71 -0.12 0.28 -0.00 0.00 0.00 178.16 179.03 1gtz h VAL 139 N 1.25 1.28 -0.33 -2.88 2.07 -1.33 -1.64 116.25 114.66 1gtz h VAL 139 Ca 0.37 -1.22 -0.03 0.00 0.82 0.00 0.00 66.70 66.64 1gtz h VAL 139 Cb -0.06 1.22 -0.02 0.00 -1.52 0.00 0.00 31.29 30.91 1gtz h VAL 139 CO -0.10 0.41 0.08 -0.26 0.02 0.00 0.00 177.57 177.72 1gtz h PHE 140 N 0.61 0.48 0.46 1.57 0.05 -1.08 -1.21 116.94 117.82 1gtz h PHE 140 Ca 0.10 -0.03 -0.02 0.00 3.82 0.00 0.00 57.97 61.85 1gtz h PHE 140 Cb 0.65 -0.15 -0.01 0.00 2.00 0.00 0.00 35.95 38.45 1gtz h PHE 140 CO 0.05 0.43 -0.29 0.78 -0.18 0.00 0.00 178.31 179.10 1gtz h GLY 141 N 0.70 -0.77 0.18 -1.45 0.00 -0.79 -0.42 103.07 100.53 1gtz h GLY 141 Ca 0.11 0.32 0.11 0.00 0.00 0.00 0.00 47.33 47.87 1gtz h GLY 141 CO -0.00 -0.28 0.07 -2.08 0.00 0.00 0.00 176.54 174.25 1gtz h VAL 142 N -0.72 0.63 -0.26 4.60 2.07 -0.97 -1.03 116.25 120.57 1gtz h VAL 142 Ca -0.05 -0.07 -0.07 0.00 0.82 0.00 0.00 66.70 67.33 1gtz h VAL 142 Cb 0.59 0.41 -0.01 0.00 -1.52 0.00 0.00 31.29 30.76 1gtz h VAL 142 CO 0.05 0.04 -0.12 -0.33 0.02 0.00 0.00 177.57 177.22 1gtz h GLU 143 N 0.20 0.43 -0.18 1.57 5.08 -0.86 -0.48 114.58 120.34 1gtz h GLU 143 Ca 0.29 -0.12 -0.21 0.00 -1.00 0.00 0.00 59.36 58.32 1gtz h GLU 143 Cb 0.43 -0.05 0.01 0.00 0.50 0.00 0.00 28.75 29.64 1gtz h GLU 143 CO -0.41 0.55 -0.71 -0.09 -1.00 0.00 0.00 179.01 177.36 1gtz h ARG 144 N 0.40 0.80 -0.61 2.33 9.65 -0.54 -2.00 114.38 124.40 1gtz h ARG 144 Ca 0.08 -0.62 -0.06 0.00 -1.10 0.00 0.00 59.98 58.28 1gtz h ARG 144 Cb 0.46 0.12 -0.03 0.00 -1.39 0.00 0.00 29.97 29.13 1gtz h ARG 144 CO 0.03 1.23 0.15 0.82 2.80 0.00 0.00 179.97 185.00 1gtz h ILE 145 N 0.54 1.24 -0.53 1.20 1.08 -0.93 0.37 117.51 120.48 1gtz h ILE 145 Ca -0.04 -0.89 -0.05 0.00 -0.39 0.00 0.00 64.86 63.49 1gtz h ILE 145 Cb 1.33 0.61 -0.02 0.00 -3.07 0.00 0.00 36.82 35.67 1gtz h ILE 145 CO 0.15 0.33 0.12 0.00 -0.69 0.00 0.00 178.15 178.06 1gtz h ALA 146 N 1.24 1.21 -0.01 1.87 0.00 -0.87 0.30 119.26 123.00 1gtz h ALA 146 Ca 0.20 -0.21 -0.20 0.00 0.00 0.00 0.00 54.91 54.70 1gtz h ALA 146 Cb 0.33 -0.21 -0.01 0.00 0.00 0.00 0.00 17.79 17.89 1gtz h ALA 146 CO -0.00 0.54 -0.85 0.00 0.00 0.00 0.00 179.25 178.94 1gtz h ALA 147 N 1.34 0.53 0.01 0.00 0.00 -0.48 -3.18 119.26 117.48 1gtz h ALA 147 Ca 0.17 -0.69 -0.21 0.00 0.00 0.00 0.00 54.91 54.18 1gtz h ALA 147 Cb 0.31 -0.07 -0.03 0.00 0.00 0.00 0.00 17.79 18.00 1gtz h ALA 147 CO 0.00 0.87 -0.99 -0.07 0.00 0.00 0.00 179.25 179.05 1gtz h LEU 148 N 0.15 0.03 -0.03 0.00 3.38 -0.39 -3.18 115.31 115.28 1gtz h LEU 148 Ca -0.04 -0.03 0.00 0.00 0.09 0.00 0.00 57.88 57.89 1gtz h LEU 148 Cb 1.46 -0.01 0.00 0.00 0.09 0.00 0.00 40.66 42.20 1gtz h LEU 148 CO 0.13 1.00 -0.00 0.00 0.09 0.00 0.00 178.44 179.66 1gtz n ALA 149 N -2.37 2.65 1.15 1.53 0.00 0.10 -5.00 120.51 118.57 1gtz n ALA 149 Ca -0.01 -0.20 0.13 0.00 0.00 0.00 0.00 53.44 53.36 1gtz n ALA 149 Cb 0.93 -1.50 0.23 0.00 0.00 0.00 0.00 19.45 19.10 1gtz n ALA 149 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91