#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 7.08 0.44 6.15 1.04 -1.26 -4.74 113.70 122.41 1gtz s SER 3 Ca 0.00 1.73 0.13 0.00 0.48 0.00 0.00 55.95 58.29 1gtz s SER 3 Cb 0.00 -2.55 0.99 0.00 0.10 0.00 0.00 66.02 64.56 1gtz s SER 3 CO 0.00 -0.25 2.01 -0.07 0.98 0.00 0.00 173.24 175.91 1gtz h LEU 4 N 2.37 0.12 -1.37 2.42 4.07 -1.90 -2.10 115.31 118.92 1gtz h LEU 4 Ca -0.48 -0.02 -0.07 0.00 0.08 0.00 0.00 57.88 57.40 1gtz h LEU 4 Cb 1.18 -0.03 -0.01 0.00 1.08 0.00 0.00 40.66 42.88 1gtz h LEU 4 CO 0.62 0.21 -0.32 0.00 -1.08 0.00 0.00 178.44 177.88 1gtz h ALA 5 N 1.80 1.41 0.00 1.53 0.00 -1.91 -3.20 119.26 118.89 1gtz h ALA 5 Ca 0.03 -0.29 0.00 0.00 0.00 0.00 0.00 54.91 54.65 1gtz h ALA 5 Cb 0.22 -0.05 0.00 0.00 0.00 0.00 0.00 17.79 17.96 1gtz h ALA 5 CO 0.01 0.40 -0.98 0.09 0.00 0.00 0.00 179.25 178.76 1gtz n ASN 6 N -4.06 0.78 -3.55 0.00 5.03 -0.81 -4.97 115.26 107.67 1gtz n ASN 6 Ca -0.02 0.24 -0.15 0.00 0.87 0.00 0.00 54.58 55.53 1gtz n ASN 6 Cb 0.37 0.49 -0.06 0.00 -1.02 0.00 0.00 39.78 39.56 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 -3.33 -1.84 0.62 5.41 0.00 -1.11 -5.02 121.76 116.50 1gtz s ALA 7 Ca 0.01 1.49 -0.15 0.00 0.00 0.00 0.00 51.96 53.31 1gtz s ALA 7 Cb 0.11 -0.41 -0.02 0.00 0.00 0.00 0.00 23.12 22.80 1gtz s ALA 7 CO 0.79 -0.34 1.06 -1.25 0.00 0.00 0.00 175.76 176.02 1gtz s PRO 8 N -0.99 3.17 -0.22 0.00 0.04 -1.26 -4.21 135.00 131.53 1gtz s PRO 8 Ca -0.06 1.18 -0.29 0.00 0.04 0.00 0.00 61.00 61.87 1gtz s PRO 8 Cb -0.01 -2.01 0.01 0.00 0.04 0.00 0.00 34.50 32.53 1gtz s PRO 8 CO 0.06 -0.93 1.07 0.42 0.04 0.00 0.00 177.00 177.65 1gtz s ILE 9 N -2.56 4.64 -0.09 0.56 1.01 -0.26 -1.63 121.20 122.88 1gtz s ILE 9 Ca 0.63 1.97 -0.30 0.00 0.00 0.00 0.00 60.65 62.95 1gtz s ILE 9 Cb -0.16 -4.27 -0.02 0.00 0.01 0.00 0.00 42.46 38.02 1gtz s ILE 9 CO 0.41 -0.17 1.06 -0.32 0.00 0.00 0.00 174.94 175.93 1gtz s MET 10 N 3.18 4.40 -0.31 2.79 -2.45 -0.42 0.11 119.30 126.61 1gtz s MET 10 Ca 0.46 1.48 -0.04 0.00 -1.25 0.00 0.00 55.69 56.34 1gtz s MET 10 Cb -0.16 -3.54 0.04 0.00 1.25 0.00 0.00 34.83 32.42 1gtz s MET 10 CO 0.08 -0.35 0.03 0.42 1.05 0.00 0.00 175.02 176.25 1gtz s ILE 11 N 2.04 3.31 -0.09 10.11 1.01 -0.40 -1.49 121.20 135.70 1gtz s ILE 11 Ca 0.51 -1.21 0.01 0.00 0.00 0.00 0.00 60.65 59.95 1gtz s ILE 11 Cb -0.20 -2.86 -0.02 0.00 0.01 0.00 0.00 42.46 39.39 1gtz s ILE 11 CO 0.19 -0.08 -0.10 -0.76 0.00 0.00 0.00 174.94 174.18 1gtz s LEU 12 N 1.33 2.92 -0.10 2.97 1.43 -0.32 -0.83 118.68 126.09 1gtz s LEU 12 Ca -0.03 -0.18 0.04 0.00 -1.03 0.00 0.00 54.13 52.93 1gtz s LEU 12 Cb -0.19 -1.64 -0.00 0.00 0.03 0.00 0.00 46.19 44.39 1gtz s LEU 12 CO 0.00 0.27 -0.24 0.20 0.23 0.00 0.00 176.35 176.82 1gtz s ASN 13 N -0.28 3.05 0.47 2.29 0.01 -0.51 -1.19 114.94 118.78 1gtz s ASN 13 Ca 0.03 -0.55 0.00 0.00 -0.71 0.00 0.00 52.86 51.63 1gtz s ASN 13 Cb -0.13 -1.35 0.00 0.00 0.41 0.00 0.00 41.25 40.18 1gtz s ASN 13 CO 0.03 0.16 0.00 0.61 -1.51 0.00 0.00 177.10 176.39 1gtz n GLY 14 N 3.49 -1.59 3.76 0.66 0.00 0.91 -1.68 105.19 110.74 1gtz n GLY 14 Ca -0.19 -1.54 -0.38 0.00 0.00 0.00 0.00 46.02 43.91 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 -1.41 3.42 0.00 1.61 0.04 -1.08 -3.17 135.00 134.41 1gtz s PRO 15 Ca 0.00 2.04 0.00 0.00 0.04 0.00 0.00 61.00 63.08 1gtz s PRO 15 Cb 0.00 -2.34 0.00 0.00 0.04 0.00 0.00 34.50 32.20 1gtz s PRO 15 CO 0.00 -0.91 0.00 0.09 0.04 0.00 0.00 177.00 176.22 1gtz n ASN 16 N -0.77 0.00 0.28 6.66 3.02 -1.26 -4.56 115.26 118.63 1gtz n ASN 16 Ca 0.09 0.00 0.19 0.00 -0.03 0.00 0.00 54.58 54.83 1gtz n ASN 16 Cb 0.46 -0.30 0.94 0.00 -0.61 0.00 0.00 39.78 40.27 1gtz n ASN 16 CO 0.00 0.00 0.00 -0.07 -2.62 0.00 0.00 177.26 174.57 1gtz h LEU 17 N 0.00 0.00 -1.58 3.41 3.38 -1.92 -2.31 115.31 116.29 1gtz h LEU 17 Ca 0.00 0.00 0.10 0.00 0.09 0.00 0.00 57.88 58.07 1gtz h LEU 17 Cb 0.00 0.00 -0.04 0.00 0.09 0.00 0.00 40.66 40.71 1gtz h LEU 17 CO 0.00 0.00 0.42 -0.55 0.09 0.00 0.00 178.44 178.40 1gtz h ASN 18 N 0.00 0.42 -0.16 -0.43 -1.07 -1.88 -1.79 115.58 110.67 1gtz h ASN 18 Ca 0.00 0.01 0.00 0.00 0.07 0.00 0.00 56.30 56.38 1gtz h ASN 18 Cb 0.17 -0.08 0.00 0.00 -2.07 0.00 0.00 38.32 36.34 1gtz h ASN 18 CO 0.00 0.25 0.00 0.18 0.07 0.00 0.00 177.43 177.93 1gtz n LEU 19 N -4.48 1.04 -4.75 6.14 4.77 -0.87 -4.79 117.00 114.06 1gtz n LEU 19 Ca 0.10 -0.49 -0.42 0.00 -0.03 0.00 0.00 56.01 55.18 1gtz n LEU 19 Cb 0.36 -0.11 -0.01 0.00 -2.33 0.00 0.00 43.42 41.33 1gtz n LEU 19 CO 0.34 0.24 1.24 -0.11 -1.33 0.00 0.00 177.39 177.77 1gtz n LEU 20 N -0.00 4.47 0.00 2.23 7.94 -0.67 -1.08 117.00 129.88 1gtz n LEU 20 Ca 0.10 1.16 0.00 0.00 -1.11 0.00 0.00 56.01 56.16 1gtz n LEU 20 Cb 0.19 -1.60 0.00 0.00 0.53 0.00 0.00 43.42 42.54 1gtz n LEU 20 CO 0.07 0.18 0.00 0.61 -1.11 0.00 0.00 177.39 177.14 1gtz n GLY 21 N 1.91 2.94 0.03 -3.96 0.00 -1.15 -3.89 105.19 101.07 1gtz n GLY 21 Ca 0.07 0.00 0.01 0.00 0.00 0.00 0.00 46.02 46.10 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 1.22 -4.86 1.61 6.02 -0.24 -4.72 117.38 114.41 1gtz n GLN 22 Ca 0.00 -0.06 -0.25 0.00 -0.01 0.00 0.00 57.00 56.67 1gtz n GLN 22 Cb 0.00 -1.29 -0.15 0.00 1.02 0.00 0.00 30.24 29.82 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 -2.58 1.55 -1.23 -1.58 0.00 -0.89 -4.83 121.76 112.20 1gtz s ALA 23 Ca -0.05 -0.83 -0.20 0.00 0.00 0.00 0.00 51.96 50.89 1gtz s ALA 23 Cb 0.06 -0.38 0.01 0.00 0.00 0.00 0.00 23.12 22.80 1gtz s ALA 23 CO 0.49 0.38 0.65 1.04 0.00 0.00 0.00 175.76 178.31 1gtz n GLN 24 N 2.53 -1.32 0.24 0.00 6.02 -1.26 -4.78 117.38 118.80 1gtz n GLN 24 Ca -0.15 0.32 0.09 0.00 -0.01 0.00 0.00 57.00 57.25 1gtz n GLN 24 Cb 0.54 -3.71 0.59 0.00 1.02 0.00 0.00 30.24 28.67 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 -2.09 0.00 0.00 -1.09 0.13 -1.88 -0.48 132.00 126.58 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 1.38 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.51 1gtz h PRO 25 CO 0.53 0.19 0.00 1.05 -0.23 0.00 0.00 178.00 179.54 1gtz h GLU 26 N 0.00 0.00 0.00 0.86 9.09 -1.89 0.81 114.58 123.45 1gtz h GLU 26 Ca -0.00 0.00 -0.39 0.00 0.05 0.00 0.00 59.36 59.02 1gtz h GLU 26 Cb 0.45 0.00 -0.06 0.00 -1.65 0.00 0.00 28.75 27.49 1gtz h GLU 26 CO 0.03 0.00 -2.39 -0.89 0.05 0.00 0.00 179.01 175.80 1gtz n ILE 27 N -2.40 1.38 0.53 -1.06 5.41 -0.30 -4.77 119.36 118.16 1gtz n ILE 27 Ca 0.03 -0.46 0.06 0.00 1.00 0.00 0.00 62.75 63.39 1gtz n ILE 27 Cb 0.32 -1.55 0.02 0.00 -0.71 0.00 0.00 39.64 37.72 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 -3.59 0.00 -1.54 1.39 4.02 -0.57 -4.63 117.16 112.24 1gtz n TYR 28 Ca -0.46 0.00 0.00 0.00 -0.01 0.00 0.00 57.90 57.43 1gtz n TYR 28 Cb 0.91 0.00 0.00 0.00 -0.02 0.00 0.00 39.34 40.23 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 0.86 -2.26 0.35 2.72 0.00 0.28 -4.78 105.19 102.36 1gtz n GLY 29 Ca 0.06 -1.75 0.04 0.00 0.00 0.00 0.00 46.02 44.36 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 0.25 2.06 -4.75 1.61 7.64 -1.26 -3.82 113.62 115.35 1gtz n SER 30 Ca 0.00 -1.61 -0.40 0.00 1.01 0.00 0.00 58.87 57.86 1gtz n SER 30 Cb 0.00 -0.07 -0.04 0.00 -1.01 0.00 0.00 64.21 63.09 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 -0.79 7.32 0.77 6.43 1.01 -1.26 -4.63 116.67 125.53 1gtz s ASP 31 Ca 0.12 2.17 -0.09 0.00 0.71 0.00 0.00 52.55 55.46 1gtz s ASP 31 Cb 0.07 -2.62 0.10 0.00 1.01 0.00 0.00 42.92 41.48 1gtz s ASP 31 CO 0.10 -0.13 1.10 0.42 0.21 0.00 0.00 175.17 176.87 1gtz s THR 32 N -0.85 2.16 0.33 -1.27 -4.23 -1.26 -2.93 115.64 107.60 1gtz s THR 32 Ca 0.46 -0.22 0.05 0.00 -1.18 0.00 0.00 61.69 60.79 1gtz s THR 32 Cb -0.30 -2.94 0.14 0.00 1.34 0.00 0.00 72.50 70.73 1gtz s THR 32 CO 0.38 0.00 1.85 0.25 -0.54 0.00 0.00 174.62 176.55 1gtz h LEU 33 N -0.87 0.45 -0.84 4.79 5.85 -1.83 -0.84 115.31 122.02 1gtz h LEU 33 Ca -0.44 -0.10 -0.08 0.00 0.84 0.00 0.00 57.88 58.10 1gtz h LEU 33 Cb 1.29 -0.12 -0.02 0.00 0.37 0.00 0.00 40.66 42.19 1gtz h LEU 33 CO 0.54 0.57 -0.03 0.00 -0.34 0.00 0.00 178.44 179.18 1gtz h ALA 34 N 1.48 1.03 -0.69 1.25 0.00 -1.93 -0.26 119.26 120.13 1gtz h ALA 34 Ca 0.09 -0.29 -0.06 0.00 0.00 0.00 0.00 54.91 54.65 1gtz h ALA 34 Cb 0.41 -0.19 -0.03 0.00 0.00 0.00 0.00 17.79 17.98 1gtz h ALA 34 CO 0.02 0.60 0.20 -0.44 0.00 0.00 0.00 179.25 179.62 1gtz h ASP 35 N 0.76 1.01 -0.26 0.00 3.32 -1.70 -1.87 116.42 117.68 1gtz h ASP 35 Ca 0.14 -0.19 -0.03 0.00 0.02 0.00 0.00 57.03 56.96 1gtz h ASP 35 Cb 0.51 -0.26 -0.01 0.00 0.22 0.00 0.00 39.33 39.78 1gtz h ASP 35 CO 0.03 0.95 0.03 0.58 -1.72 0.00 0.00 179.24 179.11 1gtz h VAL 36 N 1.03 1.24 -0.70 -1.35 2.07 -0.64 -1.81 116.25 116.09 1gtz h VAL 36 Ca 0.22 -0.82 0.14 0.00 0.82 0.00 0.00 66.70 67.06 1gtz h VAL 36 Cb 0.32 1.28 -0.10 0.00 -1.52 0.00 0.00 31.29 31.27 1gtz h VAL 36 CO -0.00 0.26 0.22 -0.08 0.02 0.00 0.00 177.57 177.98 1gtz h GLU 37 N 0.24 0.33 -0.68 1.57 4.81 -0.85 -1.56 114.58 118.44 1gtz h GLU 37 Ca 0.08 -0.02 -0.04 0.00 -0.13 0.00 0.00 59.36 59.25 1gtz h GLU 37 Cb 0.36 -0.08 -0.03 0.00 0.63 0.00 0.00 28.75 29.63 1gtz h GLU 37 CO 0.01 0.22 0.29 0.00 -0.73 0.00 0.00 179.01 178.79 1gtz h ALA 38 N 1.54 0.89 -0.48 2.92 0.00 -1.12 -0.76 119.26 122.25 1gtz h ALA 38 Ca 0.38 -0.17 0.06 0.00 0.00 0.00 0.00 54.91 55.18 1gtz h ALA 38 Cb 0.60 -0.27 -0.05 0.00 0.00 0.00 0.00 17.79 18.07 1gtz h ALA 38 CO -0.43 0.49 0.18 -0.07 0.00 0.00 0.00 179.25 179.43 1gtz h LEU 39 N 0.97 0.21 -1.07 0.00 3.38 -1.02 -2.07 115.31 115.70 1gtz h LEU 39 Ca 0.23 0.05 -0.08 0.00 0.09 0.00 0.00 57.88 58.18 1gtz h LEU 39 Cb 0.19 0.03 -0.01 0.00 0.09 0.00 0.00 40.66 40.95 1gtz h LEU 39 CO -0.02 0.15 -0.17 0.00 0.09 0.00 0.00 178.44 178.49 1gtz h VAL 41 N 0.42 1.10 -0.12 0.00 2.07 -0.91 -1.61 116.25 117.20 1gtz h VAL 41 Ca 0.07 -0.23 -0.14 0.00 0.82 0.00 0.00 66.70 67.23 1gtz h VAL 41 Cb 0.54 0.66 -0.01 0.00 -1.52 0.00 0.00 31.29 30.96 1gtz h VAL 41 CO 0.04 0.10 -0.54 0.50 0.02 0.00 0.00 177.57 177.69 1gtz h LYS 42 N 0.44 0.33 -0.29 1.57 3.64 -1.34 -0.35 116.57 120.56 1gtz h LYS 42 Ca 0.12 -0.21 -0.12 0.00 -1.27 0.00 0.00 60.65 59.17 1gtz h LYS 42 Cb -0.01 0.02 -0.01 0.00 -0.41 0.00 0.00 32.23 31.82 1gtz h LYS 42 CO -0.02 0.79 -0.33 0.00 -2.27 0.00 0.00 179.45 177.62 1gtz h ALA 43 N 1.17 0.88 -0.11 5.00 0.00 -0.95 -2.23 119.26 123.02 1gtz h ALA 43 Ca 0.01 -0.41 -0.22 0.00 0.00 0.00 0.00 54.91 54.29 1gtz h ALA 43 Cb 1.03 -0.12 0.01 0.00 0.00 0.00 0.00 17.79 18.71 1gtz h ALA 43 CO 0.09 0.63 -0.80 0.00 0.00 0.00 0.00 179.25 179.16 1gtz h ALA 44 N 1.11 0.36 -0.81 0.00 0.00 -1.22 -3.14 119.26 115.55 1gtz h ALA 44 Ca 0.06 -0.62 0.08 0.00 0.00 0.00 0.00 54.91 54.43 1gtz h ALA 44 Cb 0.82 -0.02 -0.05 0.00 0.00 0.00 0.00 17.79 18.54 1gtz h ALA 44 CO 0.07 0.71 0.53 0.00 0.00 0.00 0.00 179.25 180.56 1gtz h ALA 45 N 0.63 1.66 0.00 0.00 0.00 -0.64 -0.16 119.26 120.75 1gtz h ALA 45 Ca -0.06 -0.02 0.00 0.00 0.00 0.00 0.00 54.91 54.84 1gtz h ALA 45 Cb 1.42 -0.21 0.00 0.00 0.00 0.00 0.00 17.79 19.01 1gtz h ALA 45 CO 0.16 0.20 0.00 0.00 0.00 0.00 0.00 179.25 179.61 1gtz h ALA 46 N 1.57 1.00 -0.16 0.00 0.00 -1.36 -0.59 119.26 119.72 1gtz h ALA 46 Ca 0.36 0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.27 1gtz h ALA 46 Cb 0.31 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.10 1gtz h ALA 46 CO -0.13 0.00 0.00 0.72 0.00 0.00 0.00 179.25 179.84 1gtz n HIS 47 N -2.47 0.19 -0.58 0.00 8.25 -0.44 -4.97 115.22 115.22 1gtz n HIS 47 Ca -0.01 -0.14 0.00 0.00 -0.26 0.00 0.00 57.72 57.30 1gtz n HIS 47 Cb 0.07 -0.00 0.00 0.00 1.12 0.00 0.00 29.99 31.18 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 0.95 0.73 2.56 -1.41 0.00 -0.23 -4.90 105.19 102.89 1gtz n GLY 48 Ca 0.12 0.00 -0.15 0.00 0.00 0.00 0.00 46.02 45.99 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 -2.44 2.34 3.29 -0.02 0.00 -0.20 -4.53 105.19 103.63 1gtz n GLY 49 Ca 0.00 -2.22 -0.17 0.00 0.00 0.00 0.00 46.02 43.63 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 -1.57 0.25 0.08 2.61 -4.23 -1.26 -2.91 115.64 108.61 1gtz s THR 50 Ca 0.32 -2.00 0.03 0.00 -1.18 0.00 0.00 61.69 58.85 1gtz s THR 50 Cb -0.03 -2.53 -0.03 0.00 1.34 0.00 0.00 72.50 71.25 1gtz s THR 50 CO 0.20 0.00 -0.08 0.68 -0.54 0.00 0.00 174.62 174.88 1gtz s VAL 51 N -3.76 0.73 -0.32 2.29 -7.23 -1.26 -1.10 120.40 109.75 1gtz s VAL 51 Ca 0.37 -1.53 0.02 0.00 -1.81 0.00 0.00 61.98 59.03 1gtz s VAL 51 Cb 0.06 -1.19 0.10 0.00 0.56 0.00 0.00 36.38 35.90 1gtz s VAL 51 CO 0.16 -0.59 0.06 -0.62 -0.31 0.00 0.00 175.10 173.81 1gtz s ASP 52 N -2.31 4.40 -0.21 4.85 -1.08 0.12 -4.85 116.67 117.59 1gtz s ASP 52 Ca 0.02 -1.88 -0.08 0.00 -0.52 0.00 0.00 52.55 50.09 1gtz s ASP 52 Cb -0.03 -1.28 -0.04 0.00 -1.46 0.00 0.00 42.92 40.11 1gtz s ASP 52 CO -0.01 -0.39 0.07 0.12 0.52 0.00 0.00 175.17 175.48 1gtz s PHE 53 N 1.23 3.19 0.04 -5.34 5.36 -1.26 -1.28 117.98 119.92 1gtz s PHE 53 Ca 0.09 -0.07 -0.03 0.00 -0.96 0.00 0.00 56.93 55.96 1gtz s PHE 53 Cb -0.18 -2.15 -0.02 0.00 -0.34 0.00 0.00 43.02 40.33 1gtz s PHE 53 CO -0.15 -0.03 0.04 1.03 -1.46 0.00 0.00 175.22 174.65 1gtz s ARG 54 N 0.85 0.55 -0.02 10.12 0.52 -0.01 -4.99 118.95 125.97 1gtz s ARG 54 Ca 0.04 -0.85 -0.03 0.00 -0.52 0.00 0.00 55.73 54.37 1gtz s ARG 54 Cb -0.14 0.20 0.00 0.00 0.52 0.00 0.00 34.95 35.54 1gtz s ARG 54 CO 0.02 -0.12 0.07 -1.14 0.02 0.00 0.00 175.30 174.16 1gtz s GLN 55 N -2.75 0.15 -0.11 3.54 -0.44 -1.26 -1.42 119.66 117.37 1gtz s GLN 55 Ca -0.04 -0.01 -0.13 0.00 -2.50 0.00 0.00 55.36 52.68 1gtz s GLN 55 Cb -0.00 0.07 0.03 0.00 -1.64 0.00 0.00 33.01 31.47 1gtz s GLN 55 CO -0.05 -0.02 0.36 0.45 0.50 0.00 0.00 175.29 176.52 1gtz s SER 56 N -0.24 -0.35 0.00 6.67 0.15 -0.67 -4.97 113.70 114.28 1gtz s SER 56 Ca -0.03 0.62 0.29 0.00 0.70 0.00 0.00 55.95 57.53 1gtz s SER 56 Cb -0.02 0.67 1.19 0.00 -1.71 0.00 0.00 66.02 66.15 1gtz s SER 56 CO 0.00 -0.19 1.83 0.59 1.20 0.00 0.00 173.24 176.67 1gtz n ASN 57 N 2.56 0.68 -4.54 5.45 3.02 -1.26 -2.63 115.26 118.54 1gtz n ASN 57 Ca -0.15 -0.82 -0.37 0.00 -0.03 0.00 0.00 54.58 53.21 1gtz n ASN 57 Cb 0.57 -0.02 -0.11 0.00 -0.61 0.00 0.00 39.78 39.61 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 -2.35 3.17 0.10 3.10 3.76 -1.26 -4.73 115.29 117.08 1gtz s HIS 58 Ca 0.32 -0.12 -0.23 0.00 -0.15 0.00 0.00 55.06 54.88 1gtz s HIS 58 Cb 0.20 -2.28 -0.10 0.00 1.11 0.00 0.00 32.58 31.51 1gtz s HIS 58 CO 0.45 -0.20 1.71 1.49 -0.85 0.00 0.00 174.74 177.34 1gtz h GLU 59 N 8.06 -0.12 -0.33 1.40 4.81 -2.00 -2.53 114.58 123.86 1gtz h GLU 59 Ca -0.37 0.01 0.00 0.00 -0.13 0.00 0.00 59.36 58.87 1gtz h GLU 59 Cb 1.18 0.03 -0.02 0.00 0.63 0.00 0.00 28.75 30.57 1gtz h GLU 59 CO 0.59 -0.08 0.21 0.78 -0.73 0.00 0.00 179.01 179.77 1gtz h GLY 60 N -0.13 0.47 1.01 1.92 0.00 -1.99 -2.14 103.07 102.22 1gtz h GLY 60 Ca 0.03 -0.18 -0.07 0.00 0.00 0.00 0.00 47.33 47.11 1gtz h GLY 60 CO -0.07 0.18 0.09 -2.09 0.00 0.00 0.00 176.54 174.64 1gtz h GLU 61 N 0.45 0.91 -0.79 4.80 4.81 -1.90 -2.12 114.58 120.75 1gtz h GLU 61 Ca 0.12 -0.25 -0.02 0.00 -0.13 0.00 0.00 59.36 59.08 1gtz h GLU 61 Cb -0.03 -0.11 -0.04 0.00 0.63 0.00 0.00 28.75 29.21 1gtz h GLU 61 CO -0.02 0.89 0.42 -0.07 -0.73 0.00 0.00 179.01 179.49 1gtz h LEU 62 N 0.80 0.99 -0.36 1.64 3.38 -1.23 -1.19 115.31 119.34 1gtz h LEU 62 Ca 0.17 -0.09 0.01 0.00 0.09 0.00 0.00 57.88 58.06 1gtz h LEU 62 Cb 0.42 -0.25 -0.02 0.00 0.09 0.00 0.00 40.66 40.89 1gtz h LEU 62 CO 0.01 0.80 0.21 0.58 0.09 0.00 0.00 178.44 180.14 1gtz h VAL 63 N 1.10 1.04 -0.52 1.22 2.07 -1.37 -0.77 116.25 119.02 1gtz h VAL 63 Ca 0.28 -0.15 -0.07 0.00 0.82 0.00 0.00 66.70 67.58 1gtz h VAL 63 Cb 0.05 0.57 -0.02 0.00 -1.52 0.00 0.00 31.29 30.36 1gtz h VAL 63 CO -0.04 0.08 0.04 0.44 0.02 0.00 0.00 177.57 178.10 1gtz h ASP 64 N 0.43 0.82 0.18 0.57 3.32 -0.87 -1.63 116.42 119.24 1gtz h ASP 64 Ca 0.14 -0.19 -0.11 0.00 0.02 0.00 0.00 57.03 56.89 1gtz h ASP 64 Cb 0.00 -0.22 -0.01 0.00 0.22 0.00 0.00 39.33 39.32 1gtz h ASP 64 CO -0.07 0.86 -0.41 -0.50 -1.72 0.00 0.00 179.24 177.41 1gtz h TRP 65 N 0.80 0.34 -0.58 4.55 6.55 -0.95 -1.84 115.95 124.82 1gtz h TRP 65 Ca 0.16 -0.09 -0.09 0.00 0.95 0.00 0.00 58.89 59.82 1gtz h TRP 65 Cb 0.43 -0.08 -0.02 0.00 -0.86 0.00 0.00 29.16 28.63 1gtz h TRP 65 CO 0.02 0.66 0.01 0.82 -1.05 0.00 0.00 178.44 178.91 1gtz h ILE 66 N 0.25 1.26 -0.27 1.49 2.04 -0.50 -0.63 117.51 121.15 1gtz h ILE 66 Ca 0.02 -1.12 -0.09 0.00 1.00 0.00 0.00 64.86 64.67 1gtz h ILE 66 Cb 0.83 0.83 -0.01 0.00 -0.74 0.00 0.00 36.82 37.72 1gtz h ILE 66 CO 0.07 0.41 -0.21 0.45 0.00 0.00 0.00 178.15 178.86 1gtz h HIS 67 N 0.92 0.55 -0.16 1.37 3.86 -0.87 -0.58 115.15 120.24 1gtz h HIS 67 Ca 0.17 -0.11 -0.00 0.00 -1.16 0.00 0.00 60.37 59.27 1gtz h HIS 67 Cb 0.54 -0.14 -0.01 0.00 1.06 0.00 0.00 27.41 28.86 1gtz h HIS 67 CO 0.04 0.68 0.10 1.49 0.86 0.00 0.00 177.93 181.09 1gtz h GLU 68 N 0.45 0.21 -0.84 2.45 4.81 -1.01 -2.78 114.58 117.86 1gtz h GLU 68 Ca 0.07 -0.02 0.03 0.00 -0.13 0.00 0.00 59.36 59.31 1gtz h GLU 68 Cb 0.62 -0.05 -0.05 0.00 0.63 0.00 0.00 28.75 29.90 1gtz h GLU 68 CO 0.04 0.17 0.55 0.00 -0.73 0.00 0.00 179.01 179.04 1gtz h ALA 69 N 1.03 1.47 -0.95 2.92 0.00 -0.62 -1.42 119.26 121.69 1gtz h ALA 69 Ca 0.06 -0.04 0.21 0.00 0.00 0.00 0.00 54.91 55.14 1gtz h ALA 69 Cb 0.01 -0.30 -0.08 0.00 0.00 0.00 0.00 17.79 17.42 1gtz h ALA 69 CO -0.01 0.46 0.62 -0.09 0.00 0.00 0.00 179.25 180.22 1gtz h ARG 70 N 1.06 0.46 0.00 0.00 2.43 -0.83 -1.51 114.38 116.00 1gtz h ARG 70 Ca 0.33 -0.03 -0.37 0.00 -0.81 0.00 0.00 59.98 59.10 1gtz h ARG 70 Cb -0.00 -0.10 -0.07 0.00 -0.42 0.00 0.00 29.97 29.38 1gtz h ARG 70 CO -0.09 0.31 -2.38 1.28 -1.51 0.00 0.00 179.97 177.58 1gtz n LEU 71 N -4.57 0.10 -0.04 3.80 4.77 -0.77 -4.73 117.00 115.56 1gtz n LEU 71 Ca 0.21 -0.00 0.01 0.00 -0.03 0.00 0.00 56.01 56.19 1gtz n LEU 71 Cb 0.71 0.45 0.00 0.00 -2.33 0.00 0.00 43.42 42.25 1gtz n LEU 71 CO 0.28 0.51 0.18 0.59 -1.33 0.00 0.00 177.39 177.62 1gtz n ASN 72 N -2.76 0.75 -4.38 -1.43 3.02 -0.61 -5.09 115.26 104.77 1gtz n ASN 72 Ca -0.33 -0.88 -0.21 0.00 -0.03 0.00 0.00 54.58 53.13 1gtz n ASN 72 Cb 1.15 0.34 -0.10 0.00 -0.61 0.00 0.00 39.78 40.56 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 -0.46 1.91 -1.52 3.10 3.76 -0.59 -4.54 115.29 116.96 1gtz s HIS 73 Ca 0.01 -0.48 0.27 0.00 -0.15 0.00 0.00 55.06 54.72 1gtz s HIS 73 Cb 0.01 -0.88 0.95 0.00 1.11 0.00 0.00 32.58 33.77 1gtz s HIS 73 CO 0.03 0.46 1.69 0.00 -0.85 0.00 0.00 174.74 176.07 1gtz n GLY 75 N 1.36 -0.76 2.89 0.00 0.00 -1.26 -4.48 105.19 102.93 1gtz n GLY 75 Ca 0.12 -1.07 -0.19 0.00 0.00 0.00 0.00 46.02 44.87 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 0.47 -0.19 -0.61 1.01 -0.25 -1.30 121.20 118.33 1gtz s ILE 76 Ca 0.00 -0.11 -0.07 0.00 0.00 0.00 0.00 60.65 60.47 1gtz s ILE 76 Cb 0.00 -0.50 -0.04 0.00 0.01 0.00 0.00 42.46 41.93 1gtz s ILE 76 CO 0.00 0.20 0.06 -0.69 0.00 0.00 0.00 174.94 174.51 1gtz s VAL 77 N 0.80 4.65 -0.01 2.92 1.01 -0.55 -1.05 120.40 128.17 1gtz s VAL 77 Ca -0.10 -0.08 0.01 0.00 0.00 0.00 0.00 61.98 61.80 1gtz s VAL 77 Cb -0.13 -3.10 0.01 0.00 0.00 0.00 0.00 36.38 33.16 1gtz s VAL 77 CO -0.00 0.45 -0.01 -0.51 0.00 0.00 0.00 175.10 175.03 1gtz s ILE 78 N 0.54 0.15 -0.50 2.22 2.07 -0.14 -1.17 121.20 124.38 1gtz s ILE 78 Ca 0.03 -0.00 -0.01 0.00 -1.41 0.00 0.00 60.65 59.26 1gtz s ILE 78 Cb -0.13 -0.19 0.13 0.00 0.13 0.00 0.00 42.46 42.40 1gtz s ILE 78 CO 0.01 0.09 0.28 0.21 -1.91 0.00 0.00 174.94 173.61 1gtz s ASN 79 N 0.43 5.00 0.02 4.50 3.84 -0.34 -0.91 114.94 127.49 1gtz s ASN 79 Ca -0.04 -2.53 0.17 0.00 0.21 0.00 0.00 52.86 50.67 1gtz s ASN 79 Cb -0.07 -1.77 0.72 0.00 -0.55 0.00 0.00 41.25 39.58 1gtz s ASN 79 CO -0.01 -0.40 1.54 -2.65 -2.79 0.00 0.00 177.10 172.79 1gtz n PRO 80 N 3.86 0.01 0.00 0.43 -0.02 -1.26 -0.06 135.00 137.96 1gtz n PRO 80 Ca 0.04 0.23 0.00 0.00 -2.02 0.00 0.00 63.50 61.75 1gtz n PRO 80 Cb 0.38 -1.53 0.00 0.00 -0.02 0.00 0.00 33.50 32.34 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 -1.52 0.00 0.32 3.55 0.00 -1.26 -1.62 120.51 119.98 1gtz n ALA 81 Ca 0.04 0.00 0.20 0.00 0.00 0.00 0.00 53.44 53.68 1gtz n ALA 81 Cb 0.20 0.00 1.04 0.00 0.00 0.00 0.00 19.45 20.69 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 -0.60 1.05 0.00 0.00 0.00 -1.93 -1.17 119.26 116.61 1gtz h ALA 82 Ca 0.00 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.90 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 0.00 179.25 179.92 1gtz n TYR 83 N -3.17 0.85 -0.34 0.00 0.53 -0.64 -2.12 117.16 112.27 1gtz n TYR 83 Ca -0.02 0.31 0.02 0.00 -1.02 0.00 0.00 57.90 57.19 1gtz n TYR 83 Cb 0.14 -1.00 0.16 0.00 -1.03 0.00 0.00 39.34 37.61 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 0.92 1.38 7.72 0.02 -1.27 0.15 113.55 122.47 1gtz h SER 84 Ca 0.00 0.02 0.00 0.00 -0.84 0.00 0.00 61.79 60.97 1gtz h SER 84 Cb 0.46 -0.17 0.00 0.00 0.14 0.00 0.00 62.40 62.82 1gtz h SER 84 CO 0.00 0.57 -0.37 0.45 -1.14 0.00 0.00 176.83 176.34 1gtz h HIS 85 N 1.05 0.00 0.00 3.45 3.86 -1.58 0.57 115.15 122.50 1gtz h HIS 85 Ca 0.41 0.00 0.00 0.00 -1.16 0.00 0.00 60.37 59.62 1gtz h HIS 85 Cb 0.21 0.00 0.00 0.00 1.06 0.00 0.00 27.41 28.68 1gtz h HIS 85 CO -0.02 0.00 -0.83 0.25 0.86 0.00 0.00 177.93 178.19 1gtz n THR 86 N -2.57 0.00 -3.11 2.45 -2.24 -1.07 -4.81 114.28 102.93 1gtz n THR 86 Ca 0.03 0.00 -0.44 0.00 -2.27 0.00 0.00 64.05 61.37 1gtz n THR 86 Cb 0.49 0.18 -0.05 0.00 -2.10 0.00 0.00 70.33 68.85 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 -1.85 6.20 0.27 3.42 0.15 0.02 -4.82 113.70 117.09 1gtz s SER 87 Ca 0.00 -1.21 0.09 0.00 0.70 0.00 0.00 55.95 55.53 1gtz s SER 87 Cb 0.00 -2.31 0.34 0.00 -1.71 0.00 0.00 66.02 62.34 1gtz s SER 87 CO 0.00 -1.06 1.61 0.58 1.20 0.00 0.00 173.24 175.56 1gtz h VAL 88 N 5.91 1.43 -0.74 4.45 2.07 -1.94 -2.97 116.25 124.45 1gtz h VAL 88 Ca -0.29 -2.06 -0.00 0.00 0.82 0.00 0.00 66.70 65.17 1gtz h VAL 88 Cb 1.09 2.10 -0.04 0.00 -1.52 0.00 0.00 31.29 32.92 1gtz h VAL 88 CO 1.06 0.59 0.45 0.00 0.02 0.00 0.00 177.57 179.69 1gtz h ALA 89 N 1.34 0.95 -0.12 1.67 0.00 -1.97 -0.35 119.26 120.78 1gtz h ALA 89 Ca -0.01 -0.09 -0.14 0.00 0.00 0.00 0.00 54.91 54.68 1gtz h ALA 89 Cb 1.09 -0.30 0.01 0.00 0.00 0.00 0.00 17.79 18.58 1gtz h ALA 89 CO 0.08 0.41 -0.48 0.82 0.00 0.00 0.00 179.25 180.09 1gtz h ILE 90 N 1.01 1.36 -0.37 0.00 2.04 -1.90 -1.19 117.51 118.46 1gtz h ILE 90 Ca 0.27 -1.78 0.08 0.00 1.00 0.00 0.00 64.86 64.42 1gtz h ILE 90 Cb -0.04 2.13 -0.09 0.00 -0.74 0.00 0.00 36.82 38.08 1gtz h ILE 90 CO -0.05 0.54 -0.26 0.25 0.00 0.00 0.00 178.15 178.63 1gtz h LEU 91 N 0.16 -0.87 -0.66 1.44 5.85 -1.30 -1.17 115.31 118.76 1gtz h LEU 91 Ca -0.03 0.17 -0.01 0.00 0.84 0.00 0.00 57.88 58.85 1gtz h LEU 91 Cb 1.11 0.43 -0.03 0.00 0.37 0.00 0.00 40.66 42.54 1gtz h LEU 91 CO 0.10 -0.28 0.38 0.44 -0.34 0.00 0.00 178.44 178.74 1gtz h ASP 92 N -0.21 0.81 -0.23 1.25 3.32 -0.93 -1.10 116.42 119.33 1gtz h ASP 92 Ca 0.18 -0.08 -0.01 0.00 0.02 0.00 0.00 57.03 57.14 1gtz h ASP 92 Cb 0.49 -0.21 -0.01 0.00 0.22 0.00 0.00 39.33 39.82 1gtz h ASP 92 CO -0.49 0.65 0.12 0.00 -1.72 0.00 0.00 179.24 177.80 1gtz h ALA 93 N 1.19 0.30 0.00 3.45 0.00 -0.84 -2.20 119.26 121.15 1gtz h ALA 93 Ca 0.23 -0.08 -0.02 0.00 0.00 0.00 0.00 54.91 55.04 1gtz h ALA 93 Cb 0.01 -0.09 -0.00 0.00 0.00 0.00 0.00 17.79 17.70 1gtz h ALA 93 CO -0.04 -0.15 -0.10 -0.07 0.00 0.00 0.00 179.25 178.89 1gtz h LEU 94 N 0.25 0.00 -0.46 0.00 3.38 -0.92 -2.50 115.31 115.07 1gtz h LEU 94 Ca 0.08 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.05 1gtz h LEU 94 Cb 0.10 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.85 1gtz h LEU 94 CO -0.01 0.10 0.00 0.59 0.09 0.00 0.00 178.44 179.21 1gtz n ASN 95 N -4.32 0.62 0.07 -0.43 5.03 -0.44 -2.18 115.26 113.60 1gtz n ASN 95 Ca -0.03 0.63 0.13 0.00 0.87 0.00 0.00 54.58 56.18 1gtz n ASN 95 Cb 0.17 -0.77 0.48 0.00 -1.02 0.00 0.00 39.78 38.65 1gtz n ASN 95 CO 0.00 0.00 0.00 0.35 -1.83 0.00 0.00 177.26 175.78 1gtz n THR 96 N -2.16 0.46 -2.55 3.41 -2.24 -0.94 -4.48 114.28 105.79 1gtz n THR 96 Ca 0.03 -0.09 -0.42 0.00 -2.27 0.00 0.00 64.05 61.30 1gtz n THR 96 Cb 0.27 -0.66 0.01 0.00 -2.10 0.00 0.00 70.33 67.85 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 2.33 1.84 0.00 0.00 2.03 -1.26 -2.17 116.55 119.32 1gtz n ASP 98 Ca 0.39 0.37 0.00 0.00 0.52 0.00 0.00 54.79 56.06 1gtz n ASP 98 Cb 0.33 -1.21 0.00 0.00 -0.72 0.00 0.00 41.12 39.51 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 6.63 1.13 3.73 0.27 0.00 -1.26 -5.01 105.19 110.69 1gtz n GLY 99 Ca 0.44 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 46.05 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 4.42 0.26 0.99 2.96 -0.92 -4.97 118.68 121.42 1gtz s LEU 100 Ca 0.00 2.21 -0.30 0.00 -0.22 0.00 0.00 54.13 55.82 1gtz s LEU 100 Cb 0.00 -3.60 -0.10 0.00 0.50 0.00 0.00 46.19 42.99 1gtz s LEU 100 CO 0.00 -0.45 1.38 -2.84 -1.32 0.00 0.00 176.35 173.13 1gtz s PRO 101 N 0.27 4.31 -0.02 0.98 0.02 -1.26 -4.91 135.00 134.38 1gtz s PRO 101 Ca 0.56 2.24 0.00 0.00 0.02 0.00 0.00 61.00 63.83 1gtz s PRO 101 Cb -0.33 -3.11 0.02 0.00 0.02 0.00 0.00 34.50 31.10 1gtz s PRO 101 CO 0.34 -0.33 0.00 0.08 -0.33 0.00 0.00 177.00 176.76 1gtz s VAL 102 N -0.29 0.10 -0.10 3.83 1.01 -1.26 -1.10 120.40 122.60 1gtz s VAL 102 Ca 0.56 0.08 0.01 0.00 0.00 0.00 0.00 61.98 62.63 1gtz s VAL 102 Cb -0.40 -0.17 0.02 0.00 0.00 0.00 0.00 36.38 35.82 1gtz s VAL 102 CO 0.45 0.10 -0.11 -0.69 0.00 0.00 0.00 175.10 174.85 1gtz s VAL 103 N 0.73 1.16 -0.06 2.92 1.01 -0.22 -0.65 120.40 125.29 1gtz s VAL 103 Ca -0.07 -0.43 -0.07 0.00 0.00 0.00 0.00 61.98 61.41 1gtz s VAL 103 Cb -0.10 -1.11 -0.04 0.00 0.00 0.00 0.00 36.38 35.13 1gtz s VAL 103 CO -0.02 0.38 0.21 -0.70 0.00 0.00 0.00 175.10 174.97 1gtz s GLU 104 N 1.19 3.53 -0.06 2.72 2.12 -0.47 -0.96 118.70 126.76 1gtz s GLU 104 Ca -0.04 -0.08 0.02 0.00 0.36 0.00 0.00 54.97 55.23 1gtz s GLU 104 Cb -0.14 -3.15 0.01 0.00 0.26 0.00 0.00 34.13 31.11 1gtz s GLU 104 CO -0.03 0.72 -0.12 0.08 -0.54 0.00 0.00 175.26 175.38 1gtz s VAL 105 N -1.14 1.10 -0.12 3.70 1.01 -0.08 -1.04 120.40 123.82 1gtz s VAL 105 Ca 0.21 -0.46 0.01 0.00 0.00 0.00 0.00 61.98 61.74 1gtz s VAL 105 Cb -0.13 -1.01 -0.01 0.00 0.00 0.00 0.00 36.38 35.23 1gtz s VAL 105 CO 0.10 0.35 -0.16 -1.00 0.00 0.00 0.00 175.10 174.39 1gtz s HIS 106 N 0.69 2.75 0.05 5.22 3.76 -0.21 -4.05 115.29 123.50 1gtz s HIS 106 Ca -0.14 -0.75 -0.25 0.00 -0.15 0.00 0.00 55.06 53.77 1gtz s HIS 106 Cb -0.16 -1.81 -0.17 0.00 1.11 0.00 0.00 32.58 31.55 1gtz s HIS 106 CO 0.03 -0.27 1.55 0.82 -0.85 0.00 0.00 174.74 176.03 1gtz h ILE 107 N 5.48 1.02 -4.17 0.60 2.04 -1.87 -1.97 117.51 118.64 1gtz h ILE 107 Ca -0.24 -0.36 -0.50 0.00 1.00 0.00 0.00 64.86 64.76 1gtz h ILE 107 Cb 1.22 1.25 0.04 0.00 -0.74 0.00 0.00 36.82 38.60 1gtz h ILE 107 CO 0.53 0.09 0.35 -0.94 0.00 0.00 0.00 178.15 178.18 1gtz s SER 108 N -5.25 6.33 -0.86 1.72 1.04 -1.26 -2.14 113.70 113.29 1gtz s SER 108 Ca -0.14 1.36 -0.23 0.00 0.48 0.00 0.00 55.95 57.42 1gtz s SER 108 Cb 0.04 -2.44 0.06 0.00 0.10 0.00 0.00 66.02 63.79 1gtz s SER 108 CO 0.65 -0.74 1.26 0.21 0.98 0.00 0.00 173.24 175.60 1gtz s ASN 109 N -3.88 6.37 0.43 7.02 3.84 -1.26 -1.97 114.94 125.48 1gtz s ASN 109 Ca 0.54 -1.20 0.14 0.00 0.21 0.00 0.00 52.86 52.55 1gtz s ASN 109 Cb -0.11 -2.51 1.01 0.00 -0.55 0.00 0.00 41.25 39.10 1gtz s ASN 109 CO 0.47 -1.51 1.96 0.16 -2.79 0.00 0.00 177.10 175.39 1gtz h ILE 110 N 6.27 0.88 0.00 -5.21 3.07 -1.93 -1.84 117.51 118.75 1gtz h ILE 110 Ca -0.03 -0.15 0.00 0.00 1.55 0.00 0.00 64.86 66.23 1gtz h ILE 110 Cb 1.03 0.41 0.00 0.00 -0.27 0.00 0.00 36.82 37.99 1gtz h ILE 110 CO 1.29 0.08 0.00 1.41 -1.05 0.00 0.00 178.15 179.88 1gtz n HIS 111 N -4.47 0.00 1.00 0.16 8.25 -1.26 -1.71 115.22 117.19 1gtz n HIS 111 Ca 0.11 0.00 0.10 0.00 -0.26 0.00 0.00 57.72 57.67 1gtz n HIS 111 Cb 0.40 -0.45 -0.06 0.00 1.12 0.00 0.00 29.99 31.00 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 -1.45 0.47 -0.22 -0.41 6.02 -0.69 -4.99 117.38 116.10 1gtz n GLN 112 Ca 0.02 -0.38 0.00 0.00 -0.01 0.00 0.00 57.00 56.63 1gtz n GLN 112 Cb 0.09 -1.49 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 -0.93 2.55 -1.63 -1.09 1.74 -0.69 -5.06 116.66 111.55 1gtz n ARG 113 Ca 0.06 0.00 -0.37 0.00 -0.77 0.00 0.00 57.85 56.77 1gtz n ARG 113 Cb 0.38 0.00 0.07 0.00 -1.02 0.00 0.00 32.46 31.89 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 -0.22 0.94 -0.01 5.56 4.71 -1.26 -4.88 120.64 125.48 1gtz n GLU 114 Ca 0.00 0.37 0.20 0.00 -0.01 0.00 0.00 57.16 57.73 1gtz n GLU 114 Cb 0.00 -2.38 0.69 0.00 -1.01 0.00 0.00 31.44 28.73 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 0.36 0.01 0.00 3.49 0.11 -1.97 0.30 132.00 134.30 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 32.45 1gtz h PRO 115 CO 0.51 0.01 0.00 1.97 -0.21 0.00 0.00 178.00 180.28 1gtz n PHE 116 N -4.38 0.62 1.34 0.65 1.16 -1.26 -1.44 117.46 114.15 1gtz n PHE 116 Ca 0.10 0.25 0.13 0.00 -1.87 0.00 0.00 57.45 56.06 1gtz n PHE 116 Cb 0.61 -0.90 0.42 0.00 -1.61 0.00 0.00 39.48 38.00 1gtz n PHE 116 CO 0.00 0.00 0.00 0.54 -1.87 0.00 0.00 176.76 175.43 1gtz n ARG 117 N -2.07 1.26 0.20 3.97 1.74 0.09 -4.45 116.66 117.40 1gtz n ARG 117 Ca 0.02 -0.76 0.10 0.00 -0.77 0.00 0.00 57.85 56.44 1gtz n ARG 117 Cb 0.19 -1.48 0.20 0.00 -1.02 0.00 0.00 32.46 30.35 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 1.86 0.00 -3.26 -1.55 3.86 -1.32 -3.44 115.15 111.30 1gtz h HIS 118 Ca 0.00 0.00 -0.65 0.00 -1.16 0.00 0.00 60.37 58.56 1gtz h HIS 118 Cb 0.53 0.00 -0.16 0.00 1.06 0.00 0.00 27.41 28.84 1gtz h HIS 118 CO 0.00 0.15 -0.60 -1.58 0.86 0.00 0.00 177.93 176.76 1gtz s HIS 119 N -3.22 3.19 -0.11 2.45 5.65 -1.26 -4.91 115.29 117.08 1gtz s HIS 119 Ca 0.05 0.08 0.02 0.00 0.25 0.00 0.00 55.06 55.46 1gtz s HIS 119 Cb 0.06 -1.92 0.01 0.00 -1.18 0.00 0.00 32.58 29.56 1gtz s HIS 119 CO 0.68 0.29 -0.16 0.45 -0.65 0.00 0.00 174.74 175.35 1gtz s SER 120 N -0.26 2.45 0.40 9.88 0.15 -1.26 -4.15 113.70 120.91 1gtz s SER 120 Ca 0.07 -0.43 0.14 0.00 0.70 0.00 0.00 55.95 56.42 1gtz s SER 120 Cb -0.12 -1.10 0.83 0.00 -1.71 0.00 0.00 66.02 63.91 1gtz s SER 120 CO 0.02 0.03 1.88 1.88 1.20 0.00 0.00 173.24 178.25 1gtz h TYR 121 N 7.33 0.00 -0.06 3.44 -1.99 -1.19 -3.08 116.97 121.43 1gtz h TYR 121 Ca -0.30 0.00 -0.15 0.00 2.00 0.00 0.00 58.73 60.27 1gtz h TYR 121 Cb 1.18 0.00 -0.01 0.00 2.00 0.00 0.00 36.73 39.90 1gtz h TYR 121 CO 0.48 0.31 -0.64 0.28 -0.00 0.00 0.00 178.16 178.58 1gtz h VAL 122 N 0.00 1.40 0.00 -2.88 2.07 -1.86 -2.96 116.25 112.02 1gtz h VAL 122 Ca -0.00 -2.08 0.00 0.00 0.82 0.00 0.00 66.70 65.44 1gtz h VAL 122 Cb 0.56 2.07 0.00 0.00 -1.52 0.00 0.00 31.29 32.40 1gtz h VAL 122 CO 0.04 0.61 0.00 -1.54 0.02 0.00 0.00 177.57 176.70 1gtz n SER 123 N -3.84 0.40 0.13 0.57 3.41 -1.16 -1.25 113.62 111.87 1gtz n SER 123 Ca -0.02 0.64 0.12 0.00 -0.26 0.00 0.00 58.87 59.35 1gtz n SER 123 Cb 0.64 -0.71 0.26 0.00 -0.26 0.00 0.00 64.21 64.15 1gtz n SER 123 CO 0.00 0.00 0.00 1.56 -0.16 0.00 0.00 175.04 176.44 1gtz h GLN 124 N 0.00 0.00 0.00 4.33 1.08 -1.69 -3.31 115.11 115.53 1gtz h GLN 124 Ca 0.00 0.00 -0.30 0.00 -1.45 0.00 0.00 58.65 56.90 1gtz h GLN 124 Cb 0.17 0.00 -0.05 0.00 -0.05 0.00 0.00 27.48 27.55 1gtz h GLN 124 CO 0.00 0.00 -2.12 -2.13 -0.95 0.00 0.00 178.83 173.63 1gtz n ARG 125 N -2.51 0.65 -1.61 1.46 3.00 -0.41 -5.00 116.66 112.23 1gtz n ARG 125 Ca 0.04 0.10 -0.44 0.00 -0.00 0.00 0.00 57.85 57.55 1gtz n ARG 125 Cb 0.47 -1.40 -0.01 0.00 0.00 0.00 0.00 32.46 31.52 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 -3.00 0.12 -0.06 5.13 0.00 -0.38 -4.89 120.51 117.42 1gtz n ALA 126 Ca -0.34 0.38 -0.13 0.00 0.00 0.00 0.00 53.44 53.36 1gtz n ALA 126 Cb 0.90 -2.07 -0.06 0.00 0.00 0.00 0.00 19.45 18.21 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 2.09 0.40 -4.17 0.00 3.32 -1.23 -3.45 116.42 113.38 1gtz h ASP 127 Ca -0.41 -0.43 -0.38 0.00 0.02 0.00 0.00 57.03 55.83 1gtz h ASP 127 Cb 1.33 -0.11 -0.18 0.00 0.22 0.00 0.00 39.33 40.59 1gtz h ASP 127 CO 0.61 0.74 -0.75 -0.83 -1.72 0.00 0.00 179.24 177.29 1gtz s GLY 128 N -3.35 0.99 -0.03 2.75 0.00 -1.19 -5.06 107.32 101.43 1gtz s GLY 128 Ca -0.14 -1.25 0.01 0.00 0.00 0.00 0.00 44.72 43.34 1gtz s GLY 128 CO 0.75 -1.32 -0.05 0.14 0.00 0.00 0.00 173.10 172.62 1gtz s VAL 129 N -2.27 0.52 -0.06 1.40 1.01 -1.26 -1.37 120.40 118.37 1gtz s VAL 129 Ca 0.08 -0.17 0.02 0.00 0.00 0.00 0.00 61.98 61.91 1gtz s VAL 129 Cb -0.04 -0.51 0.01 0.00 0.00 0.00 0.00 36.38 35.84 1gtz s VAL 129 CO 0.02 0.20 -0.13 -0.69 0.00 0.00 0.00 175.10 174.50 1gtz s VAL 130 N 0.54 1.15 -0.00 2.92 1.01 -0.21 -4.97 120.40 120.84 1gtz s VAL 130 Ca -0.07 -0.50 0.01 0.00 0.00 0.00 0.00 61.98 61.42 1gtz s VAL 130 Cb -0.10 -1.05 -0.00 0.00 0.00 0.00 0.00 36.38 35.22 1gtz s VAL 130 CO 0.00 0.36 -0.03 0.00 0.00 0.00 0.00 175.10 175.43 1gtz s ALA 131 N 0.61 0.26 -0.40 5.51 0.00 -1.26 -1.05 121.76 125.44 1gtz s ALA 131 Ca -0.14 -0.14 0.00 0.00 0.00 0.00 0.00 51.96 51.68 1gtz s ALA 131 Cb -0.15 -0.07 0.00 0.00 0.00 0.00 0.00 23.12 22.90 1gtz s ALA 131 CO 0.04 0.06 0.00 0.41 0.00 0.00 0.00 175.76 176.27 1gtz n GLY 132 N 3.00 0.67 1.74 0.00 0.00 -0.74 -4.73 105.19 105.13 1gtz n GLY 132 Ca -0.13 -0.55 0.04 0.00 0.00 0.00 0.00 46.02 45.38 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 0.18 0.65 0.24 0.00 0.00 -0.91 -2.81 105.19 102.54 1gtz n GLY 134 Ca 0.31 -0.80 0.15 0.00 0.00 0.00 0.00 46.02 45.67 1gtz n GLY 134 CO 0.00 0.00 0.00 -0.39 0.00 0.00 0.00 173.32 172.93 1gtz h VAL 135 N 0.00 0.00 0.00 1.61 -1.51 -1.90 -1.75 116.25 112.70 1gtz h VAL 135 Ca 0.00 -0.57 -0.01 0.00 -1.23 0.00 0.00 66.70 64.89 1gtz h VAL 135 Cb 0.00 1.53 -0.00 0.00 -2.13 0.00 0.00 31.29 30.69 1gtz h VAL 135 CO 0.00 0.00 -0.06 -0.61 -1.23 0.00 0.00 177.57 175.67 1gtz h GLN 136 N 0.00 0.00 -0.34 5.19 4.15 -1.97 -1.83 115.11 120.31 1gtz h GLN 136 Ca 0.00 0.00 -0.00 0.00 0.77 0.00 0.00 58.65 59.42 1gtz h GLN 136 Cb 0.60 0.00 -0.02 0.00 0.21 0.00 0.00 27.48 28.27 1gtz h GLN 136 CO 0.00 0.06 0.20 0.78 -1.93 0.00 0.00 178.83 177.94 1gtz h GLY 137 N 0.54 0.49 1.28 2.39 0.00 -1.14 -1.47 103.07 105.17 1gtz h GLY 137 Ca -0.00 -0.20 -0.01 0.00 0.00 0.00 0.00 47.33 47.12 1gtz h GLY 137 CO 0.01 0.19 0.39 -0.97 0.00 0.00 0.00 176.54 176.16 1gtz h TYR 138 N 0.47 0.92 -0.44 5.60 -1.99 -1.53 -0.84 116.97 119.17 1gtz h TYR 138 Ca 0.12 -0.01 -0.07 0.00 2.00 0.00 0.00 58.73 60.78 1gtz h TYR 138 Cb -0.00 -0.30 -0.02 0.00 2.00 0.00 0.00 36.73 38.41 1gtz h TYR 138 CO 0.00 0.63 0.01 0.28 -0.00 0.00 0.00 178.16 179.09 1gtz h VAL 139 N 0.96 1.26 -0.56 -2.88 2.07 -1.41 -1.94 116.25 113.74 1gtz h VAL 139 Ca 0.25 -1.01 0.03 0.00 0.82 0.00 0.00 66.70 66.78 1gtz h VAL 139 Cb 0.00 1.06 -0.04 0.00 -1.52 0.00 0.00 31.29 30.79 1gtz h VAL 139 CO -0.04 0.35 0.34 -0.26 0.02 0.00 0.00 177.57 177.97 1gtz h PHE 140 N 0.60 0.63 -0.05 1.57 0.05 -1.05 -1.00 116.94 117.70 1gtz h PHE 140 Ca 0.12 0.02 0.01 0.00 3.82 0.00 0.00 57.97 61.94 1gtz h PHE 140 Cb 0.47 -0.20 -0.01 0.00 2.00 0.00 0.00 35.95 38.21 1gtz h PHE 140 CO 0.04 0.36 0.00 0.78 -0.18 0.00 0.00 178.31 179.31 1gtz h GLY 141 N 0.66 0.05 0.93 -1.45 0.00 -0.62 -1.27 103.07 101.37 1gtz h GLY 141 Ca 0.22 0.00 0.02 0.00 0.00 0.00 0.00 47.33 47.58 1gtz h GLY 141 CO -0.10 -0.00 0.39 -2.08 0.00 0.00 0.00 176.54 174.74 1gtz h VAL 142 N 0.02 1.11 -0.47 4.60 2.07 -0.93 -1.28 116.25 121.37 1gtz h VAL 142 Ca 0.02 -0.27 -0.02 0.00 0.82 0.00 0.00 66.70 67.25 1gtz h VAL 142 Cb 0.02 0.27 -0.02 0.00 -1.52 0.00 0.00 31.29 30.03 1gtz h VAL 142 CO -0.03 0.14 0.20 -0.33 0.02 0.00 0.00 177.57 177.57 1gtz h GLU 143 N 0.78 0.67 -0.19 1.57 5.08 -0.99 -0.48 114.58 121.00 1gtz h GLU 143 Ca 0.24 -0.09 -0.11 0.00 -1.00 0.00 0.00 59.36 58.40 1gtz h GLU 143 Cb -0.03 -0.13 -0.00 0.00 0.50 0.00 0.00 28.75 29.09 1gtz h GLU 143 CO -0.08 0.54 -0.29 -0.09 -1.00 0.00 0.00 179.01 178.09 1gtz h ARG 144 N 0.67 0.54 -0.57 2.33 9.65 -0.81 -1.79 114.38 124.39 1gtz h ARG 144 Ca 0.16 -0.32 -0.01 0.00 -1.10 0.00 0.00 59.98 58.72 1gtz h ARG 144 Cb 0.11 0.03 -0.03 0.00 -1.39 0.00 0.00 29.97 28.69 1gtz h ARG 144 CO -0.02 0.92 0.33 0.82 2.80 0.00 0.00 179.97 184.83 1gtz h ILE 145 N 0.20 1.18 -0.90 1.20 1.08 -1.02 -1.13 117.51 118.11 1gtz h ILE 145 Ca 0.02 -0.42 0.09 0.00 -0.39 0.00 0.00 64.86 64.15 1gtz h ILE 145 Cb 0.87 0.42 -0.07 0.00 -3.07 0.00 0.00 36.82 34.98 1gtz h ILE 145 CO 0.07 0.19 0.55 0.00 -0.69 0.00 0.00 178.15 178.26 1gtz h ALA 146 N 1.16 1.28 -0.11 1.87 0.00 -0.92 0.49 119.26 123.04 1gtz h ALA 146 Ca 0.20 0.01 -0.16 0.00 0.00 0.00 0.00 54.91 54.97 1gtz h ALA 146 Cb 0.01 -0.20 -0.01 0.00 0.00 0.00 0.00 17.79 17.59 1gtz h ALA 146 CO -0.04 0.23 -0.61 0.00 0.00 0.00 0.00 179.25 178.83 1gtz h ALA 147 N 1.46 0.76 0.09 0.00 0.00 -0.76 -2.67 119.26 118.14 1gtz h ALA 147 Ca 0.42 -0.54 -0.26 0.00 0.00 0.00 0.00 54.91 54.53 1gtz h ALA 147 Cb 0.31 -0.08 -0.00 0.00 0.00 0.00 0.00 17.79 18.02 1gtz h ALA 147 CO -0.22 0.72 -1.16 -0.07 0.00 0.00 0.00 179.25 178.52 1gtz h LEU 148 N 0.27 0.34 -0.41 0.00 3.38 -0.67 -3.17 115.31 115.05 1gtz h LEU 148 Ca -0.01 -0.35 -0.12 0.00 0.09 0.00 0.00 57.88 57.50 1gtz h LEU 148 Cb 1.14 -0.11 -0.02 0.00 0.09 0.00 0.00 40.66 41.76 1gtz h LEU 148 CO 0.10 1.26 -0.56 0.00 0.09 0.00 0.00 178.44 179.34 1gtz h ALA 149 N 0.69 0.76 -0.02 1.53 0.00 -0.87 -3.50 119.26 117.85 1gtz h ALA 149 Ca -0.10 -0.51 0.00 0.00 0.00 0.00 0.00 54.91 54.30 1gtz h ALA 149 Cb 1.89 -0.09 0.00 0.00 0.00 0.00 0.00 17.79 19.59 1gtz h ALA 149 CO 0.18 0.69 0.00 0.41 0.00 0.00 0.00 179.25 180.54