#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 5.65 0.39 2.89 1.04 -1.26 -4.67 113.70 117.73 1gtz s SER 3 Ca 0.00 1.16 0.11 0.00 0.48 0.00 0.00 55.95 57.69 1gtz s SER 3 Cb 0.00 -2.04 0.78 0.00 0.10 0.00 0.00 66.02 64.87 1gtz s SER 3 CO 0.00 -1.20 1.89 -0.07 0.98 0.00 0.00 173.24 174.84 1gtz h LEU 4 N -0.53 0.14 -1.02 2.42 4.07 -1.78 -1.95 115.31 116.67 1gtz h LEU 4 Ca -0.45 -0.03 -0.08 0.00 0.08 0.00 0.00 57.88 57.40 1gtz h LEU 4 Cb 1.24 -0.04 -0.01 0.00 1.08 0.00 0.00 40.66 42.93 1gtz h LEU 4 CO 0.63 0.36 -0.39 0.00 -1.08 0.00 0.00 178.44 177.97 1gtz h ALA 5 N 1.65 1.05 0.00 1.53 0.00 -1.88 -3.29 119.26 118.33 1gtz h ALA 5 Ca 0.03 -0.35 0.00 0.00 0.00 0.00 0.00 54.91 54.58 1gtz h ALA 5 Cb 0.45 -0.06 0.00 0.00 0.00 0.00 0.00 17.79 18.18 1gtz h ALA 5 CO 0.03 0.48 -1.18 0.09 0.00 0.00 0.00 179.25 178.68 1gtz n ASN 6 N -3.63 0.63 -3.57 0.00 5.03 -0.80 -4.99 115.26 107.93 1gtz n ASN 6 Ca -0.01 -0.46 -0.17 0.00 0.87 0.00 0.00 54.58 54.82 1gtz n ASN 6 Cb 0.49 1.07 -0.07 0.00 -1.02 0.00 0.00 39.78 40.26 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 -3.18 -1.60 0.51 5.41 0.00 -0.82 -4.97 121.76 117.11 1gtz s ALA 7 Ca 0.03 1.22 -0.18 0.00 0.00 0.00 0.00 51.96 53.03 1gtz s ALA 7 Cb 0.15 -0.09 -0.07 0.00 0.00 0.00 0.00 23.12 23.10 1gtz s ALA 7 CO 0.84 -0.35 1.00 -1.25 0.00 0.00 0.00 175.76 176.01 1gtz s PRO 8 N -1.06 3.82 -0.05 0.00 0.04 -1.26 -4.24 135.00 132.26 1gtz s PRO 8 Ca -0.10 1.11 -0.30 0.00 0.04 0.00 0.00 61.00 61.74 1gtz s PRO 8 Cb -0.01 -2.11 -0.03 0.00 0.04 0.00 0.00 34.50 32.39 1gtz s PRO 8 CO 0.08 -0.38 1.11 0.42 0.04 0.00 0.00 177.00 178.26 1gtz s ILE 9 N -2.41 4.49 0.01 0.56 1.01 -0.28 -1.06 121.20 123.52 1gtz s ILE 9 Ca 0.62 1.79 -0.28 0.00 0.00 0.00 0.00 60.65 62.77 1gtz s ILE 9 Cb -0.12 -4.15 -0.04 0.00 0.01 0.00 0.00 42.46 38.16 1gtz s ILE 9 CO 0.28 0.04 0.89 -0.32 0.00 0.00 0.00 174.94 175.83 1gtz s MET 10 N 1.81 4.55 -0.25 2.79 -2.45 0.15 -1.01 119.30 124.88 1gtz s MET 10 Ca 0.53 1.26 0.02 0.00 -1.25 0.00 0.00 55.69 56.25 1gtz s MET 10 Cb -0.23 -3.43 0.05 0.00 1.25 0.00 0.00 34.83 32.47 1gtz s MET 10 CO 0.23 0.06 -0.10 0.42 1.05 0.00 0.00 175.02 176.67 1gtz s ILE 11 N 0.67 2.34 -0.11 10.11 1.01 -0.22 -0.84 121.20 134.16 1gtz s ILE 11 Ca 0.46 -1.46 -0.01 0.00 0.00 0.00 0.00 60.65 59.64 1gtz s ILE 11 Cb -0.21 -2.31 -0.03 0.00 0.01 0.00 0.00 42.46 39.93 1gtz s ILE 11 CO 0.25 0.05 -0.07 -0.76 0.00 0.00 0.00 174.94 174.41 1gtz s LEU 12 N 1.17 3.09 -0.11 2.97 1.43 0.46 -0.83 118.68 126.85 1gtz s LEU 12 Ca -0.06 -0.13 0.01 0.00 -1.03 0.00 0.00 54.13 52.93 1gtz s LEU 12 Cb -0.19 -1.70 0.02 0.00 0.03 0.00 0.00 46.19 44.35 1gtz s LEU 12 CO -0.05 0.26 -0.14 0.20 0.23 0.00 0.00 176.35 176.84 1gtz s ASN 13 N -0.17 2.38 0.88 2.29 0.01 -0.54 -1.29 114.94 118.50 1gtz s ASN 13 Ca 0.02 -0.41 0.00 0.00 -0.71 0.00 0.00 52.86 51.76 1gtz s ASN 13 Cb -0.13 -1.05 0.00 0.00 0.41 0.00 0.00 41.25 40.48 1gtz s ASN 13 CO 0.03 0.00 0.00 0.61 -1.51 0.00 0.00 177.10 176.23 1gtz n GLY 14 N 4.27 -1.86 3.76 0.66 0.00 0.13 -1.52 105.19 110.63 1gtz n GLY 14 Ca -0.19 -1.53 -0.38 0.00 0.00 0.00 0.00 46.02 43.92 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 -2.64 3.54 0.00 1.61 0.04 -1.09 -3.30 135.00 133.16 1gtz s PRO 15 Ca 0.00 2.06 0.00 0.00 0.04 0.00 0.00 61.00 63.10 1gtz s PRO 15 Cb 0.00 -2.43 0.00 0.00 0.04 0.00 0.00 34.50 32.11 1gtz s PRO 15 CO 0.00 -0.81 0.00 0.09 0.04 0.00 0.00 177.00 176.32 1gtz n ASN 16 N -0.57 0.00 0.17 6.66 3.02 -1.26 -4.54 115.26 118.74 1gtz n ASN 16 Ca 0.08 0.00 0.13 0.00 -0.03 0.00 0.00 54.58 54.75 1gtz n ASN 16 Cb 0.46 0.00 0.59 0.00 -0.61 0.00 0.00 39.78 40.22 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 -1.86 3.41 3.38 -1.93 -1.90 115.31 116.41 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 -0.02 0.00 0.09 0.00 0.00 40.66 40.73 1gtz h LEU 17 CO 0.00 0.00 0.31 -0.55 0.09 0.00 0.00 178.44 178.29 1gtz h ASN 18 N 0.00 0.14 -0.40 -0.43 -1.07 -1.88 -1.24 115.58 110.70 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 0.22 -0.03 0.00 0.00 -2.07 0.00 0.00 38.32 36.44 1gtz h ASN 18 CO 0.00 0.09 0.00 0.18 0.07 0.00 0.00 177.43 177.77 1gtz n LEU 19 N -4.45 2.54 -4.70 6.14 4.77 -0.71 -4.81 117.00 115.78 1gtz n LEU 19 Ca 0.07 -1.28 -0.44 0.00 -0.03 0.00 0.00 56.01 54.33 1gtz n LEU 19 Cb 0.41 -0.35 -0.03 0.00 -2.33 0.00 0.00 43.42 41.12 1gtz n LEU 19 CO 0.35 0.54 1.24 -0.11 -1.33 0.00 0.00 177.39 178.08 1gtz n LEU 20 N 0.64 3.58 0.00 2.23 7.94 -0.47 -0.94 117.00 129.99 1gtz n LEU 20 Ca 0.14 1.09 0.00 0.00 -1.11 0.00 0.00 56.01 56.14 1gtz n LEU 20 Cb 0.45 -1.50 0.00 0.00 0.53 0.00 0.00 43.42 42.89 1gtz n LEU 20 CO 0.11 -0.09 0.00 0.61 -1.11 0.00 0.00 177.39 176.91 1gtz n GLY 21 N 3.26 3.15 0.11 -3.96 0.00 -1.10 -3.79 105.19 102.85 1gtz n GLY 21 Ca 0.15 0.00 -0.14 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 -1.33 0.67 -4.74 1.61 6.02 -0.11 -4.67 117.38 114.83 1gtz n GLN 22 Ca 0.00 0.11 -0.32 0.00 -0.01 0.00 0.00 57.00 56.78 1gtz n GLN 22 Cb 0.00 -1.56 -0.13 0.00 1.02 0.00 0.00 30.24 29.57 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 -2.52 2.67 -1.17 -1.58 0.00 -0.76 -4.80 121.76 113.61 1gtz s ALA 23 Ca -0.21 -1.09 -0.29 0.00 0.00 0.00 0.00 51.96 50.38 1gtz s ALA 23 Cb 0.07 -0.87 0.03 0.00 0.00 0.00 0.00 23.12 22.35 1gtz s ALA 23 CO 0.73 0.57 0.72 1.04 0.00 0.00 0.00 175.76 178.82 1gtz n GLN 24 N 1.85 -0.62 0.24 0.00 6.02 -1.26 -4.73 117.38 118.87 1gtz n GLN 24 Ca -0.16 0.24 0.12 0.00 -0.01 0.00 0.00 57.00 57.18 1gtz n GLN 24 Cb 0.52 -3.06 0.54 0.00 1.02 0.00 0.00 30.24 29.26 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 -2.27 0.00 0.00 -1.09 0.13 -1.87 -0.46 132.00 126.44 1gtz h PRO 25 Ca -0.69 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.44 1gtz h PRO 25 Cb 1.39 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.52 1gtz h PRO 25 CO 0.50 0.17 0.00 -0.85 -0.23 0.00 0.00 178.00 177.59 1gtz n GLU 26 N -3.36 0.16 -0.08 0.86 0.00 -1.26 -0.65 120.64 116.31 1gtz n GLU 26 Ca -0.00 0.27 -0.16 0.00 0.00 0.00 0.00 57.16 57.26 1gtz n GLU 26 Cb 0.38 -1.74 -0.07 0.00 0.00 0.00 0.00 31.44 30.01 1gtz n GLU 26 CO 0.00 0.00 0.00 -0.89 0.00 0.00 0.00 177.13 176.24 1gtz n ILE 27 N -2.04 0.94 0.86 3.84 5.41 -0.26 -4.80 119.36 123.30 1gtz n ILE 27 Ca 0.04 -0.28 0.10 0.00 1.00 0.00 0.00 62.75 63.61 1gtz n ILE 27 Cb 0.31 -1.52 0.00 0.00 -0.71 0.00 0.00 39.64 37.73 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 -3.51 0.00 0.00 1.39 4.02 -0.71 -4.66 117.16 113.69 1gtz n TYR 28 Ca -0.32 0.00 0.00 0.00 -0.01 0.00 0.00 57.90 57.57 1gtz n TYR 28 Cb 0.76 0.00 0.00 0.00 -0.02 0.00 0.00 39.34 40.08 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 1.28 0.27 0.69 2.72 0.00 0.18 -4.75 105.19 105.57 1gtz n GLY 29 Ca 0.08 -1.91 0.09 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 -0.48 2.43 -4.79 1.61 7.64 -1.26 -3.89 113.62 114.88 1gtz n SER 30 Ca 0.00 -1.72 -0.38 0.00 1.01 0.00 0.00 58.87 57.79 1gtz n SER 30 Cb 0.00 -0.00 -0.06 0.00 -1.01 0.00 0.00 64.21 63.14 1gtz n SER 30 CO 0.00 0.00 0.00 -1.81 -3.01 0.00 0.00 175.04 170.22 1gtz s ASP 31 N -1.43 7.29 0.71 6.43 1.01 -1.26 -4.66 116.67 124.76 1gtz s ASP 31 Ca 0.20 1.66 -0.05 0.00 0.71 0.00 0.00 52.55 55.07 1gtz s ASP 31 Cb 0.14 -2.51 0.09 0.00 1.01 0.00 0.00 42.92 41.65 1gtz s ASP 31 CO 0.21 0.06 1.01 0.42 0.21 0.00 0.00 175.17 177.08 1gtz s THR 32 N -1.42 2.27 0.22 -1.27 -4.23 -1.26 -2.71 115.64 107.25 1gtz s THR 32 Ca 0.43 -0.38 -0.07 0.00 -1.18 0.00 0.00 61.69 60.49 1gtz s THR 32 Cb -0.20 -2.89 0.18 0.00 1.34 0.00 0.00 72.50 70.93 1gtz s THR 32 CO 0.24 0.00 1.81 0.25 -0.54 0.00 0.00 174.62 176.38 1gtz h LEU 33 N -0.59 1.11 -0.70 4.79 5.85 -1.82 -1.20 115.31 122.74 1gtz h LEU 33 Ca -0.42 -0.15 -0.02 0.00 0.84 0.00 0.00 57.88 58.13 1gtz h LEU 33 Cb 1.29 -0.29 -0.03 0.00 0.37 0.00 0.00 40.66 42.00 1gtz h LEU 33 CO 0.51 0.95 0.37 0.00 -0.34 0.00 0.00 178.44 179.93 1gtz h ALA 34 N 1.21 0.90 -0.70 1.25 0.00 -1.94 0.49 119.26 120.47 1gtz h ALA 34 Ca 0.28 -0.12 0.04 0.00 0.00 0.00 0.00 54.91 55.11 1gtz h ALA 34 Cb 0.16 -0.28 -0.05 0.00 0.00 0.00 0.00 17.79 17.62 1gtz h ALA 34 CO -0.03 0.43 0.42 -0.44 0.00 0.00 0.00 179.25 179.63 1gtz h ASP 35 N 0.97 0.67 -0.46 0.00 3.32 -1.72 -1.65 116.42 117.54 1gtz h ASP 35 Ca 0.24 0.01 -0.05 0.00 0.02 0.00 0.00 57.03 57.26 1gtz h ASP 35 Cb 0.07 -0.13 -0.02 0.00 0.22 0.00 0.00 39.33 39.47 1gtz h ASP 35 CO -0.04 0.45 0.11 0.58 -1.72 0.00 0.00 179.24 178.62 1gtz h VAL 36 N 0.80 1.24 -0.67 -1.35 2.07 -0.50 -1.81 116.25 116.02 1gtz h VAL 36 Ca 0.29 -0.84 0.08 0.00 0.82 0.00 0.00 66.70 67.05 1gtz h VAL 36 Cb 0.09 0.90 -0.06 0.00 -1.52 0.00 0.00 31.29 30.69 1gtz h VAL 36 CO -0.14 0.30 0.34 -0.08 0.02 0.00 0.00 177.57 178.01 1gtz h GLU 37 N 0.62 0.58 -0.89 1.57 4.81 -0.40 -1.39 114.58 119.49 1gtz h GLU 37 Ca 0.14 -0.04 0.01 0.00 -0.13 0.00 0.00 59.36 59.35 1gtz h GLU 37 Cb 0.34 -0.13 -0.04 0.00 0.63 0.00 0.00 28.75 29.54 1gtz h GLU 37 CO 0.00 0.39 0.59 0.00 -0.73 0.00 0.00 179.01 179.26 1gtz h ALA 38 N 1.39 1.37 -0.69 2.92 0.00 -1.07 -0.81 119.26 122.37 1gtz h ALA 38 Ca 0.32 -0.06 -0.01 0.00 0.00 0.00 0.00 54.91 55.16 1gtz h ALA 38 Cb 0.30 -0.36 -0.03 0.00 0.00 0.00 0.00 17.79 17.70 1gtz h ALA 38 CO -0.24 0.59 0.37 -0.07 0.00 0.00 0.00 179.25 179.90 1gtz h LEU 39 N 1.20 0.86 -0.35 0.00 3.38 -0.81 -2.15 115.31 117.44 1gtz h LEU 39 Ca 0.33 -0.10 -0.06 0.00 0.09 0.00 0.00 57.88 58.14 1gtz h LEU 39 Cb -0.14 -0.22 -0.01 0.00 0.09 0.00 0.00 40.66 40.38 1gtz h LEU 39 CO -0.07 0.71 -0.01 0.00 0.09 0.00 0.00 178.44 179.16 1gtz h VAL 41 N 0.43 1.22 -0.18 0.00 2.07 -1.10 -1.05 116.25 117.64 1gtz h VAL 41 Ca 0.10 -0.45 -0.09 0.00 0.82 0.00 0.00 66.70 67.08 1gtz h VAL 41 Cb 0.48 -0.22 -0.00 0.00 -1.52 0.00 0.00 31.29 30.02 1gtz h VAL 41 CO 0.02 0.24 -0.22 0.50 0.02 0.00 0.00 177.57 178.13 1gtz h LYS 42 N 1.32 0.48 -0.35 1.57 3.64 -1.36 0.12 116.57 122.00 1gtz h LYS 42 Ca 0.38 -0.27 0.00 0.00 -1.27 0.00 0.00 60.65 59.50 1gtz h LYS 42 Cb -0.08 0.02 -0.02 0.00 -0.41 0.00 0.00 32.23 31.74 1gtz h LYS 42 CO -0.10 0.85 0.22 0.00 -2.27 0.00 0.00 179.45 178.14 1gtz h ALA 43 N 0.62 0.44 -0.33 5.00 0.00 -1.25 -2.54 119.26 121.20 1gtz h ALA 43 Ca 0.02 -0.04 -0.13 0.00 0.00 0.00 0.00 54.91 54.77 1gtz h ALA 43 Cb 0.78 -0.14 -0.01 0.00 0.00 0.00 0.00 17.79 18.42 1gtz h ALA 43 CO 0.05 -0.08 -0.31 0.00 0.00 0.00 0.00 179.25 178.92 1gtz h ALA 44 N 1.10 0.84 -0.60 0.00 0.00 -1.04 -3.05 119.26 116.53 1gtz h ALA 44 Ca 0.13 -0.40 -0.03 0.00 0.00 0.00 0.00 54.91 54.60 1gtz h ALA 44 Cb -0.02 -0.13 -0.03 0.00 0.00 0.00 0.00 17.79 17.61 1gtz h ALA 44 CO -0.03 0.64 0.24 0.00 0.00 0.00 0.00 179.25 180.11 1gtz h ALA 45 N 1.05 1.31 -0.75 0.00 0.00 -0.78 0.19 119.26 120.28 1gtz h ALA 45 Ca 0.07 -0.15 0.20 0.00 0.00 0.00 0.00 54.91 55.03 1gtz h ALA 45 Cb 0.82 -0.24 -0.04 0.00 0.00 0.00 0.00 17.79 18.33 1gtz h ALA 45 CO 0.07 0.52 0.53 0.00 0.00 0.00 0.00 179.25 180.37 1gtz h ALA 46 N 1.42 2.57 -0.71 0.00 0.00 -1.34 -1.09 119.26 120.11 1gtz h ALA 46 Ca 0.20 -0.02 0.00 0.00 0.00 0.00 0.00 54.91 55.10 1gtz h ALA 46 Cb 0.16 0.03 0.00 0.00 0.00 0.00 0.00 17.79 17.98 1gtz h ALA 46 CO -0.02 -0.79 0.00 0.72 0.00 0.00 0.00 179.25 179.16 1gtz n HIS 47 N -4.36 1.06 -1.76 0.00 8.25 -0.47 -4.94 115.22 113.00 1gtz n HIS 47 Ca 0.15 -0.50 -0.09 0.00 -0.26 0.00 0.00 57.72 57.02 1gtz n HIS 47 Cb 0.76 -0.04 -0.02 0.00 1.12 0.00 0.00 29.99 31.81 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 1.57 0.49 3.64 -1.41 0.00 -0.41 -4.82 105.19 104.24 1gtz n GLY 48 Ca 0.24 -0.56 -0.30 0.00 0.00 0.00 0.00 46.02 45.41 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 -1.40 3.31 3.18 -0.02 0.00 0.53 -4.30 105.19 106.48 1gtz n GLY 49 Ca -0.10 -2.35 -0.11 0.00 0.00 0.00 0.00 46.02 43.46 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 -2.77 0.41 0.26 2.61 -4.23 -1.26 -3.56 115.64 107.10 1gtz s THR 50 Ca 0.10 -1.93 0.12 0.00 -1.18 0.00 0.00 61.69 58.80 1gtz s THR 50 Cb -0.01 -1.96 -0.05 0.00 1.34 0.00 0.00 72.50 71.82 1gtz s THR 50 CO 0.06 -0.59 -0.20 0.68 -0.54 0.00 0.00 174.62 174.03 1gtz s VAL 51 N -3.83 2.39 -0.40 2.29 -7.23 -1.26 -1.12 120.40 111.24 1gtz s VAL 51 Ca 0.20 -2.32 0.02 0.00 -1.81 0.00 0.00 61.98 58.08 1gtz s VAL 51 Cb 0.07 -2.24 0.12 0.00 0.56 0.00 0.00 36.38 34.88 1gtz s VAL 51 CO 0.00 -0.36 0.16 -0.62 -0.31 0.00 0.00 175.10 173.97 1gtz s ASP 52 N -3.33 4.18 -0.24 4.85 -1.08 -0.18 -4.86 116.67 116.02 1gtz s ASP 52 Ca 0.27 -2.36 -0.12 0.00 -0.52 0.00 0.00 52.55 49.83 1gtz s ASP 52 Cb -0.05 -1.29 -0.05 0.00 -1.46 0.00 0.00 42.92 40.07 1gtz s ASP 52 CO 0.13 -0.32 0.21 0.12 0.52 0.00 0.00 175.17 175.83 1gtz s PHE 53 N 0.65 3.31 0.08 -5.34 5.36 -1.26 -1.05 117.98 119.73 1gtz s PHE 53 Ca 0.14 0.28 0.02 0.00 -0.96 0.00 0.00 56.93 56.40 1gtz s PHE 53 Cb -0.22 -2.33 -0.04 0.00 -0.34 0.00 0.00 43.02 40.09 1gtz s PHE 53 CO -0.08 0.01 -0.07 1.03 -1.46 0.00 0.00 175.22 174.66 1gtz s ARG 54 N 1.23 0.74 -0.04 10.12 0.52 -0.01 -4.98 118.95 126.52 1gtz s ARG 54 Ca 0.09 -1.17 -0.04 0.00 -0.52 0.00 0.00 55.73 54.10 1gtz s ARG 54 Cb -0.14 -0.20 0.01 0.00 0.52 0.00 0.00 34.95 35.14 1gtz s ARG 54 CO 0.06 -0.01 0.11 -1.14 0.02 0.00 0.00 175.30 174.35 1gtz s GLN 55 N -3.22 0.13 -0.05 3.54 -0.44 -1.26 -1.47 119.66 116.88 1gtz s GLN 55 Ca 0.06 0.16 -0.10 0.00 -2.50 0.00 0.00 55.36 52.97 1gtz s GLN 55 Cb 0.01 0.05 0.02 0.00 -1.64 0.00 0.00 33.01 31.46 1gtz s GLN 55 CO -0.04 -0.02 0.24 0.45 0.50 0.00 0.00 175.29 176.43 1gtz s SER 56 N 0.09 -0.18 0.00 6.67 0.15 -0.57 -4.98 113.70 114.88 1gtz s SER 56 Ca -0.00 0.24 0.29 0.00 0.70 0.00 0.00 55.95 57.18 1gtz s SER 56 Cb -0.01 0.40 1.28 0.00 -1.71 0.00 0.00 66.02 65.98 1gtz s SER 56 CO -0.00 -0.24 1.90 0.59 1.20 0.00 0.00 173.24 176.68 1gtz n ASN 57 N 2.18 0.37 -4.45 5.45 3.02 -1.26 -2.68 115.26 117.89 1gtz n ASN 57 Ca -0.17 -0.49 -0.35 0.00 -0.03 0.00 0.00 54.58 53.53 1gtz n ASN 57 Cb 0.57 -0.11 -0.12 0.00 -0.61 0.00 0.00 39.78 39.51 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 -2.49 3.07 0.15 3.10 3.76 -1.26 -4.74 115.29 116.87 1gtz s HIS 58 Ca 0.29 -0.42 -0.17 0.00 -0.15 0.00 0.00 55.06 54.60 1gtz s HIS 58 Cb 0.20 -2.15 0.05 0.00 1.11 0.00 0.00 32.58 31.80 1gtz s HIS 58 CO 0.47 -0.27 1.72 1.49 -0.85 0.00 0.00 174.74 177.31 1gtz h GLU 59 N 7.76 0.15 -0.41 1.40 4.81 -2.00 -0.54 114.58 125.76 1gtz h GLU 59 Ca -0.37 -0.01 -0.08 0.00 -0.13 0.00 0.00 59.36 58.77 1gtz h GLU 59 Cb 1.18 -0.03 -0.02 0.00 0.63 0.00 0.00 28.75 30.50 1gtz h GLU 59 CO 0.60 0.10 -0.07 0.78 -0.73 0.00 0.00 179.01 179.70 1gtz h GLY 60 N 0.16 0.76 1.10 1.92 0.00 -1.99 -1.72 103.07 103.31 1gtz h GLY 60 Ca 0.16 -0.53 -0.14 0.00 0.00 0.00 0.00 47.33 46.82 1gtz h GLY 60 CO -0.22 0.49 -0.27 -2.09 0.00 0.00 0.00 176.54 174.45 1gtz h GLU 61 N 0.65 0.96 -0.83 4.80 4.81 -1.84 -0.33 114.58 122.80 1gtz h GLU 61 Ca 0.12 -0.44 0.00 0.00 -0.13 0.00 0.00 59.36 58.91 1gtz h GLU 61 Cb 0.50 -0.01 -0.04 0.00 0.63 0.00 0.00 28.75 29.83 1gtz h GLU 61 CO 0.03 1.11 0.54 -0.07 -0.73 0.00 0.00 179.01 179.88 1gtz h LEU 62 N 0.80 0.97 -0.62 1.64 3.38 -0.88 -1.26 115.31 119.34 1gtz h LEU 62 Ca 0.09 -0.03 -0.10 0.00 0.09 0.00 0.00 57.88 57.93 1gtz h LEU 62 Cb 0.85 -0.24 -0.02 0.00 0.09 0.00 0.00 40.66 41.34 1gtz h LEU 62 CO 0.08 0.71 -0.02 0.58 0.09 0.00 0.00 178.44 179.88 1gtz h VAL 63 N 1.13 1.27 -0.82 1.22 2.07 -1.08 -1.38 116.25 118.65 1gtz h VAL 63 Ca 0.30 -1.17 -0.01 0.00 0.82 0.00 0.00 66.70 66.64 1gtz h VAL 63 Cb -0.11 0.82 -0.04 0.00 -1.52 0.00 0.00 31.29 30.44 1gtz h VAL 63 CO -0.06 0.43 0.48 0.44 0.02 0.00 0.00 177.57 178.87 1gtz h ASP 64 N 0.97 1.00 -0.37 0.57 3.32 -0.52 -1.65 116.42 119.74 1gtz h ASP 64 Ca 0.17 -0.08 -0.11 0.00 0.02 0.00 0.00 57.03 57.04 1gtz h ASP 64 Cb 0.58 -0.25 -0.02 0.00 0.22 0.00 0.00 39.33 39.86 1gtz h ASP 64 CO 0.03 0.78 -0.16 -0.50 -1.72 0.00 0.00 179.24 177.68 1gtz h TRP 65 N 1.13 0.93 -0.46 4.55 6.55 -1.00 -1.93 115.95 125.73 1gtz h TRP 65 Ca 0.29 -0.19 -0.01 0.00 0.95 0.00 0.00 58.89 59.93 1gtz h TRP 65 Cb -0.02 -0.23 -0.02 0.00 -0.86 0.00 0.00 29.16 28.03 1gtz h TRP 65 CO -0.00 0.93 0.24 0.82 -1.05 0.00 0.00 178.44 179.38 1gtz h ILE 66 N 0.74 1.17 -0.84 1.49 2.04 -0.92 -1.43 117.51 119.77 1gtz h ILE 66 Ca 0.11 -0.45 0.00 0.00 1.00 0.00 0.00 64.86 65.52 1gtz h ILE 66 Cb 0.67 0.63 -0.04 0.00 -0.74 0.00 0.00 36.82 37.34 1gtz h ILE 66 CO 0.05 0.18 0.52 0.45 0.00 0.00 0.00 178.15 179.35 1gtz h HIS 67 N 0.60 1.08 -0.73 1.37 3.86 -0.87 -2.09 115.15 118.36 1gtz h HIS 67 Ca 0.16 0.01 -0.06 0.00 -1.16 0.00 0.00 60.37 59.32 1gtz h HIS 67 Cb 0.07 -0.36 -0.03 0.00 1.06 0.00 0.00 27.41 28.15 1gtz h HIS 67 CO -0.02 0.70 0.22 1.49 0.86 0.00 0.00 177.93 181.19 1gtz h GLU 68 N 1.14 1.14 -0.10 2.45 4.81 -1.13 -2.86 114.58 120.04 1gtz h GLU 68 Ca 0.30 -0.25 -0.09 0.00 -0.13 0.00 0.00 59.36 59.20 1gtz h GLU 68 Cb -0.08 -0.16 -0.01 0.00 0.63 0.00 0.00 28.75 29.12 1gtz h GLU 68 CO -0.06 0.98 -0.33 0.00 -0.73 0.00 0.00 179.01 178.86 1gtz h ALA 69 N 1.11 1.26 -0.86 2.92 0.00 -0.78 -1.62 119.26 121.29 1gtz h ALA 69 Ca 0.23 -0.35 0.11 0.00 0.00 0.00 0.00 54.91 54.91 1gtz h ALA 69 Cb 0.32 -0.08 -0.06 0.00 0.00 0.00 0.00 17.79 17.96 1gtz h ALA 69 CO -0.01 0.51 0.56 -0.09 0.00 0.00 0.00 179.25 180.22 1gtz h ARG 70 N 0.17 0.75 0.00 0.00 2.43 -1.15 -1.53 114.38 115.05 1gtz h ARG 70 Ca 0.02 -0.05 -0.34 0.00 -0.81 0.00 0.00 59.98 58.81 1gtz h ARG 70 Cb 0.68 -0.17 -0.06 0.00 -0.42 0.00 0.00 29.97 30.00 1gtz h ARG 70 CO 0.05 0.50 -2.13 1.28 -1.51 0.00 0.00 179.97 178.16 1gtz n LEU 71 N -4.53 0.40 -0.04 3.80 4.77 -0.82 -4.75 117.00 115.83 1gtz n LEU 71 Ca 0.15 0.16 0.01 0.00 -0.03 0.00 0.00 56.01 56.30 1gtz n LEU 71 Cb 0.36 0.34 0.00 0.00 -2.33 0.00 0.00 43.42 41.79 1gtz n LEU 71 CO 0.31 0.47 0.16 0.59 -1.33 0.00 0.00 177.39 177.58 1gtz n ASN 72 N -2.88 0.70 -4.45 -1.43 3.02 -0.67 -5.08 115.26 104.47 1gtz n ASN 72 Ca -0.27 -0.85 -0.23 0.00 -0.03 0.00 0.00 54.58 53.20 1gtz n ASN 72 Cb 1.12 0.43 -0.10 0.00 -0.61 0.00 0.00 39.78 40.61 1gtz n ASN 72 CO 0.00 0.00 0.00 -1.00 -2.62 0.00 0.00 177.26 173.64 1gtz s HIS 73 N -0.59 2.21 -0.96 3.10 3.76 -0.62 -4.40 115.29 117.78 1gtz s HIS 73 Ca 0.02 -0.37 0.24 0.00 -0.15 0.00 0.00 55.06 54.80 1gtz s HIS 73 Cb 0.01 -0.97 0.40 0.00 1.11 0.00 0.00 32.58 33.13 1gtz s HIS 73 CO 0.04 0.65 1.34 0.00 -0.85 0.00 0.00 174.74 175.92 1gtz n GLY 75 N 1.49 -0.39 2.84 0.00 0.00 -1.26 -4.40 105.19 103.46 1gtz n GLY 75 Ca 0.05 -0.93 -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 0.55 -0.32 -0.61 1.01 -0.25 -0.67 121.20 118.92 1gtz s ILE 76 Ca 0.00 -0.05 -0.11 0.00 0.00 0.00 0.00 60.65 60.49 1gtz s ILE 76 Cb 0.00 -0.63 -0.02 0.00 0.01 0.00 0.00 42.46 41.82 1gtz s ILE 76 CO 0.00 0.26 0.19 -0.69 0.00 0.00 0.00 174.94 174.71 1gtz s VAL 77 N 1.49 4.99 -0.07 2.92 1.01 -0.02 -0.77 120.40 129.94 1gtz s VAL 77 Ca -0.02 -0.24 0.04 0.00 0.00 0.00 0.00 61.98 61.76 1gtz s VAL 77 Cb -0.13 -3.52 0.00 0.00 0.00 0.00 0.00 36.38 32.73 1gtz s VAL 77 CO -0.03 0.07 -0.20 -0.51 0.00 0.00 0.00 175.10 174.43 1gtz s ILE 78 N 1.68 1.69 -0.43 2.22 2.07 0.46 -0.41 121.20 128.49 1gtz s ILE 78 Ca 0.06 -0.83 -0.06 0.00 -1.41 0.00 0.00 60.65 58.41 1gtz s ILE 78 Cb -0.17 -1.47 0.10 0.00 0.13 0.00 0.00 42.46 41.06 1gtz s ILE 78 CO 0.09 0.48 0.26 0.21 -1.91 0.00 0.00 174.94 174.06 1gtz s ASN 79 N 0.28 5.48 0.03 4.50 3.84 -0.41 -0.58 114.94 128.08 1gtz s ASN 79 Ca -0.12 -1.85 0.18 0.00 0.21 0.00 0.00 52.86 51.28 1gtz s ASN 79 Cb -0.15 -1.92 0.78 0.00 -0.55 0.00 0.00 41.25 39.40 1gtz s ASN 79 CO 0.05 -0.59 1.59 -2.65 -2.79 0.00 0.00 177.10 172.71 1gtz n PRO 80 N 4.77 0.03 0.00 0.43 -0.02 -1.26 -0.69 135.00 138.26 1gtz n PRO 80 Ca -0.06 0.22 0.00 0.00 -2.02 0.00 0.00 63.50 61.64 1gtz n PRO 80 Cb 0.41 -1.55 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 -1.54 0.00 -0.00 3.55 0.00 -1.26 -1.91 120.51 119.34 1gtz n ALA 81 Ca 0.04 0.00 0.10 0.00 0.00 0.00 0.00 53.44 53.59 1gtz n ALA 81 Cb 0.22 0.00 0.53 0.00 0.00 0.00 0.00 19.45 20.19 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 -0.73 2.00 -0.03 0.00 0.00 -1.94 0.32 119.26 118.88 1gtz h ALA 82 Ca 0.00 -0.01 0.01 0.00 0.00 0.00 0.00 54.91 54.90 1gtz h ALA 82 Cb 0.00 -0.08 -0.00 0.00 0.00 0.00 0.00 17.79 17.71 1gtz h ALA 82 CO 0.00 -0.09 0.26 1.88 0.00 0.00 0.00 179.25 181.30 1gtz h TYR 83 N 0.33 0.00 -0.32 0.00 0.99 -1.77 -2.55 116.97 113.65 1gtz h TYR 83 Ca 0.20 0.00 0.05 0.00 2.00 0.00 0.00 58.73 60.99 1gtz h TYR 83 Cb 0.38 0.00 -0.05 0.00 1.00 0.00 0.00 36.73 38.06 1gtz h TYR 83 CO -0.00 0.00 0.02 0.77 -0.00 0.00 0.00 178.16 178.95 1gtz h SER 84 N 0.00 -0.08 1.10 3.88 0.02 -0.97 -0.95 113.55 116.56 1gtz h SER 84 Ca 0.01 0.06 0.00 0.00 -0.84 0.00 0.00 61.79 61.03 1gtz h SER 84 Cb 0.52 0.11 0.00 0.00 0.14 0.00 0.00 62.40 63.17 1gtz h SER 84 CO -0.00 -0.00 0.00 1.41 -1.14 0.00 0.00 176.83 177.10 1gtz n HIS 85 N -5.14 0.19 0.00 3.45 8.25 -0.96 -0.88 115.22 120.13 1gtz n HIS 85 Ca 0.01 0.06 0.00 0.00 -0.26 0.00 0.00 57.72 57.52 1gtz n HIS 85 Cb 0.16 -0.59 0.00 0.00 1.12 0.00 0.00 29.99 30.67 1gtz n HIS 85 CO 0.00 0.00 0.00 0.25 0.64 0.00 0.00 176.34 177.23 1gtz n THR 86 N -1.66 0.00 -3.39 1.59 -2.24 -0.96 -4.79 114.28 102.84 1gtz n THR 86 Ca 0.07 -0.06 -0.45 0.00 -2.27 0.00 0.00 64.05 61.34 1gtz n THR 86 Cb 0.36 0.42 -0.05 0.00 -2.10 0.00 0.00 70.33 68.96 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 -0.89 6.20 0.36 3.42 0.15 -0.40 -4.83 113.70 117.70 1gtz s SER 87 Ca 0.00 -2.12 0.12 0.00 0.70 0.00 0.00 55.95 54.65 1gtz s SER 87 Cb 0.00 -2.15 0.66 0.00 -1.71 0.00 0.00 66.02 62.82 1gtz s SER 87 CO 0.00 -0.72 1.80 0.58 1.20 0.00 0.00 173.24 176.09 1gtz h VAL 88 N 5.60 1.29 0.00 4.45 2.07 -1.93 -3.14 116.25 124.58 1gtz h VAL 88 Ca -0.15 -1.39 -0.06 0.00 0.82 0.00 0.00 66.70 65.92 1gtz h VAL 88 Cb 1.07 1.74 -0.01 0.00 -1.52 0.00 0.00 31.29 32.57 1gtz h VAL 88 CO 0.91 0.40 -0.28 0.00 0.02 0.00 0.00 177.57 178.61 1gtz h ALA 89 N 1.59 1.34 0.20 1.67 0.00 -1.98 0.66 119.26 122.74 1gtz h ALA 89 Ca -0.00 -0.26 -0.32 0.00 0.00 0.00 0.00 54.91 54.33 1gtz h ALA 89 Cb 0.72 -0.05 0.02 0.00 0.00 0.00 0.00 17.79 18.48 1gtz h ALA 89 CO 0.05 0.35 -1.44 0.82 0.00 0.00 0.00 179.25 179.03 1gtz h ILE 90 N 0.00 1.31 0.37 0.00 2.04 -1.90 -1.71 117.51 117.62 1gtz h ILE 90 Ca -0.00 -2.80 -0.01 0.00 1.00 0.00 0.00 64.86 63.04 1gtz h ILE 90 Cb 0.57 2.97 -0.00 0.00 -0.74 0.00 0.00 36.82 39.61 1gtz h ILE 90 CO 0.04 0.84 -0.23 0.25 0.00 0.00 0.00 178.15 179.05 1gtz h LEU 91 N 0.12 -0.56 -0.68 1.44 5.85 -1.45 -0.31 115.31 119.72 1gtz h LEU 91 Ca -0.23 0.03 0.05 0.00 0.84 0.00 0.00 57.88 58.57 1gtz h LEU 91 Cb 2.10 0.17 -0.05 0.00 0.37 0.00 0.00 40.66 43.24 1gtz h LEU 91 CO 0.24 -0.36 0.39 0.44 -0.34 0.00 0.00 178.44 178.81 1gtz h ASP 92 N -0.57 0.61 -0.40 1.25 3.32 -0.78 -0.83 116.42 119.02 1gtz h ASP 92 Ca -0.04 0.02 0.05 0.00 0.02 0.00 0.00 57.03 57.08 1gtz h ASP 92 Cb 0.47 -0.11 -0.05 0.00 0.22 0.00 0.00 39.33 39.86 1gtz h ASP 92 CO 0.04 0.41 0.12 0.00 -1.72 0.00 0.00 179.24 178.09 1gtz h ALA 93 N 1.33 0.46 -0.35 3.45 0.00 -0.86 -2.59 119.26 120.70 1gtz h ALA 93 Ca 0.29 0.06 0.03 0.00 0.00 0.00 0.00 54.91 55.29 1gtz h ALA 93 Cb 0.12 0.05 -0.02 0.00 0.00 0.00 0.00 17.79 17.95 1gtz h ALA 93 CO -0.15 -0.27 0.23 -0.07 0.00 0.00 0.00 179.25 178.98 1gtz h LEU 94 N 0.27 0.30 -1.42 0.00 3.38 -0.44 -1.87 115.31 115.53 1gtz h LEU 94 Ca 0.19 -0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.15 1gtz h LEU 94 Cb 0.19 -0.07 0.00 0.00 0.09 0.00 0.00 40.66 40.87 1gtz h LEU 94 CO -0.21 0.21 0.00 0.78 0.09 0.00 0.00 178.44 179.31 1gtz h ASN 95 N 0.35 0.00 1.56 -0.43 -0.26 -0.79 -2.51 115.58 113.50 1gtz h ASN 95 Ca 0.14 0.00 0.00 0.00 -0.56 0.00 0.00 56.30 55.88 1gtz h ASN 95 Cb 0.13 0.00 0.00 0.00 -1.06 0.00 0.00 38.32 37.39 1gtz h ASN 95 CO -0.03 0.00 0.00 0.71 -1.06 0.00 0.00 177.43 177.05 1gtz h THR 96 N 0.00 0.00 -1.92 2.81 1.35 -1.06 -3.39 112.91 110.69 1gtz h THR 96 Ca 0.00 -0.61 -0.75 0.00 -0.55 0.00 0.00 66.41 64.50 1gtz h THR 96 Cb 0.49 1.59 -0.17 0.00 -1.73 0.00 0.00 68.15 68.33 1gtz h THR 96 CO 0.00 0.00 1.58 0.00 -0.25 0.00 0.00 175.52 176.85 1gtz n ASP 98 N 4.64 3.29 0.00 0.00 2.03 -1.26 -2.66 116.55 122.59 1gtz n ASP 98 Ca 0.37 0.63 0.00 0.00 0.52 0.00 0.00 54.79 56.31 1gtz n ASP 98 Cb 0.40 -1.43 0.00 0.00 -0.72 0.00 0.00 41.12 39.36 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 5.22 2.63 3.72 0.27 0.00 -1.26 -5.00 105.19 110.77 1gtz n GLY 99 Ca 0.28 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.88 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 0.17 0.99 2.96 -1.09 -4.97 118.68 121.15 1gtz s LEU 100 Ca 0.00 2.06 -0.30 0.00 -0.22 0.00 0.00 54.13 55.67 1gtz s LEU 100 Cb 0.00 -3.59 -0.08 0.00 0.50 0.00 0.00 46.19 43.02 1gtz s LEU 100 CO 0.00 -0.38 1.31 -2.84 -1.32 0.00 0.00 176.35 173.12 1gtz s PRO 101 N 0.45 4.39 -0.07 0.98 0.02 -1.26 -4.91 135.00 134.59 1gtz s PRO 101 Ca 0.55 2.02 0.01 0.00 0.02 0.00 0.00 61.00 63.60 1gtz s PRO 101 Cb -0.30 -3.22 0.02 0.00 0.02 0.00 0.00 34.50 31.02 1gtz s PRO 101 CO 0.32 -0.28 -0.10 0.08 -0.33 0.00 0.00 177.00 176.69 1gtz s VAL 102 N 0.41 1.03 -0.13 3.83 1.01 -1.26 -1.09 120.40 124.20 1gtz s VAL 102 Ca 0.58 -0.38 0.01 0.00 0.00 0.00 0.00 61.98 62.19 1gtz s VAL 102 Cb -0.36 -0.97 0.02 0.00 0.00 0.00 0.00 36.38 35.07 1gtz s VAL 102 CO 0.35 0.34 -0.16 -0.69 0.00 0.00 0.00 175.10 174.95 1gtz s VAL 103 N 0.96 1.61 -0.05 2.92 1.01 0.05 -0.70 120.40 126.20 1gtz s VAL 103 Ca -0.09 -0.69 -0.20 0.00 0.00 0.00 0.00 61.98 61.00 1gtz s VAL 103 Cb -0.15 -1.48 -0.05 0.00 0.00 0.00 0.00 36.38 34.70 1gtz s VAL 103 CO 0.00 0.46 0.55 -0.70 0.00 0.00 0.00 175.10 175.42 1gtz s GLU 104 N 1.17 4.31 -0.08 2.72 2.12 -0.62 -0.40 118.70 127.92 1gtz s GLU 104 Ca -0.02 0.62 0.03 0.00 0.36 0.00 0.00 54.97 55.96 1gtz s GLU 104 Cb -0.14 -3.38 0.01 0.00 0.26 0.00 0.00 34.13 30.88 1gtz s GLU 104 CO -0.06 0.28 -0.18 0.08 -0.54 0.00 0.00 175.26 174.84 1gtz s VAL 105 N 0.16 1.59 -0.16 3.70 1.01 0.25 -0.82 120.40 126.13 1gtz s VAL 105 Ca 0.29 -0.75 0.01 0.00 0.00 0.00 0.00 61.98 61.53 1gtz s VAL 105 Cb -0.17 -1.40 0.02 0.00 0.00 0.00 0.00 36.38 34.83 1gtz s VAL 105 CO 0.14 0.46 -0.15 -1.00 0.00 0.00 0.00 175.10 174.55 1gtz s HIS 106 N 0.48 2.35 0.13 5.22 3.76 -0.37 -4.01 115.29 122.85 1gtz s HIS 106 Ca -0.16 -1.36 -0.18 0.00 -0.15 0.00 0.00 55.06 53.20 1gtz s HIS 106 Cb -0.17 -1.68 -0.03 0.00 1.11 0.00 0.00 32.58 31.81 1gtz s HIS 106 CO 0.06 -0.71 1.75 0.82 -0.85 0.00 0.00 174.74 175.81 1gtz h ILE 107 N 6.05 1.11 -2.98 0.60 2.04 -1.86 -1.60 117.51 120.88 1gtz h ILE 107 Ca -0.39 -0.26 -0.46 0.00 1.00 0.00 0.00 64.86 64.75 1gtz h ILE 107 Cb 1.13 0.74 0.04 0.00 -0.74 0.00 0.00 36.82 38.00 1gtz h ILE 107 CO 0.55 0.11 0.00 -0.94 0.00 0.00 0.00 178.15 177.87 1gtz s SER 108 N -5.54 5.59 -1.05 1.72 1.04 -1.26 -2.42 113.70 111.78 1gtz s SER 108 Ca -0.13 0.34 -0.22 0.00 0.48 0.00 0.00 55.95 56.42 1gtz s SER 108 Cb 0.09 -1.41 0.06 0.00 0.10 0.00 0.00 66.02 64.87 1gtz s SER 108 CO 0.71 -0.94 1.45 0.21 0.98 0.00 0.00 173.24 175.66 1gtz s ASN 109 N -4.30 6.57 0.59 7.02 3.84 -1.26 -2.18 114.94 125.22 1gtz s ASN 109 Ca 0.52 -1.67 0.29 0.00 0.21 0.00 0.00 52.86 52.21 1gtz s ASN 109 Cb -0.10 -2.55 1.47 0.00 -0.55 0.00 0.00 41.25 39.52 1gtz s ASN 109 CO 0.40 -1.41 1.89 0.16 -2.79 0.00 0.00 177.10 175.36 1gtz h ILE 110 N 6.50 0.36 0.00 -5.21 3.07 -1.93 -1.42 117.51 118.88 1gtz h ILE 110 Ca 0.23 0.00 0.00 0.00 1.55 0.00 0.00 64.86 66.64 1gtz h ILE 110 Cb 0.99 0.61 0.00 0.00 -0.27 0.00 0.00 36.82 38.15 1gtz h ILE 110 CO 1.40 0.00 0.00 1.41 -1.05 0.00 0.00 178.15 179.91 1gtz n HIS 111 N -3.70 0.88 0.83 0.16 8.25 -1.26 -1.68 115.22 118.70 1gtz n HIS 111 Ca 0.08 0.33 0.12 0.00 -0.26 0.00 0.00 57.72 57.99 1gtz n HIS 111 Cb 0.67 -1.03 0.14 0.00 1.12 0.00 0.00 29.99 30.90 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 -2.28 2.36 -0.04 -0.41 6.02 -0.53 -4.99 117.38 117.50 1gtz n GLN 112 Ca 0.03 -2.00 0.00 0.00 -0.01 0.00 0.00 57.00 55.02 1gtz n GLN 112 Cb 0.27 -1.48 0.00 0.00 1.02 0.00 0.00 30.24 30.06 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 1.35 3.21 -1.35 -1.09 1.74 -0.68 -5.06 116.66 114.78 1gtz n ARG 113 Ca 0.16 0.00 -0.34 0.00 -0.77 0.00 0.00 57.85 56.89 1gtz n ARG 113 Cb 0.59 0.00 0.10 0.00 -1.02 0.00 0.00 32.46 32.14 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 2.33 2.00 0.47 5.56 8.01 -1.26 -4.87 118.70 130.93 1gtz s GLU 114 Ca 0.00 1.81 0.15 0.00 0.01 0.00 0.00 54.97 56.94 1gtz s GLU 114 Cb 0.00 -1.81 1.12 0.00 -4.31 0.00 0.00 34.13 29.13 1gtz s GLU 114 CO 0.00 -1.96 2.05 -1.35 0.01 0.00 0.00 175.26 174.02 1gtz h PRO 115 N -0.41 0.25 0.00 0.39 0.11 -1.97 0.51 132.00 130.88 1gtz h PRO 115 Ca -0.48 -0.01 0.00 0.00 0.11 0.00 0.00 66.00 65.62 1gtz h PRO 115 Cb 1.30 -0.06 0.00 0.00 0.11 0.00 0.00 31.00 32.36 1gtz h PRO 115 CO 0.49 0.16 0.00 1.97 -0.21 0.00 0.00 178.00 180.41 1gtz n PHE 116 N -4.48 0.18 1.06 0.65 1.16 -1.26 -1.38 117.46 113.39 1gtz n PHE 116 Ca 0.04 0.08 0.11 0.00 -1.87 0.00 0.00 57.45 55.81 1gtz n PHE 116 Cb 0.25 -0.62 0.10 0.00 -1.61 0.00 0.00 39.48 37.59 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 -1.67 0.54 0.19 3.97 1.74 0.17 -4.40 116.66 117.20 1gtz n ARG 117 Ca 0.02 -0.40 0.04 0.00 -0.77 0.00 0.00 57.85 56.74 1gtz n ARG 117 Cb 0.14 -1.49 0.39 0.00 -1.02 0.00 0.00 32.46 30.48 1gtz n ARG 117 CO 0.00 0.00 0.00 0.45 -1.52 0.00 0.00 177.63 176.56 1gtz h HIS 118 N 0.99 0.00 -3.05 -1.55 3.86 -1.28 -3.44 115.15 110.67 1gtz h HIS 118 Ca 0.00 0.00 -0.66 0.00 -1.16 0.00 0.00 60.37 58.55 1gtz h HIS 118 Cb 0.58 0.00 -0.12 0.00 1.06 0.00 0.00 27.41 28.93 1gtz h HIS 118 CO 0.00 0.36 -0.55 -1.58 0.86 0.00 0.00 177.93 177.02 1gtz s HIS 119 N -4.03 3.36 -0.09 2.45 5.65 -1.26 -4.92 115.29 116.45 1gtz s HIS 119 Ca -0.02 0.30 0.01 0.00 0.25 0.00 0.00 55.06 55.59 1gtz s HIS 119 Cb 0.13 -1.93 0.02 0.00 -1.18 0.00 0.00 32.58 29.62 1gtz s HIS 119 CO 0.70 0.49 -0.10 0.45 -0.65 0.00 0.00 174.74 175.63 1gtz s SER 120 N -0.58 1.93 0.28 9.88 0.15 -1.26 -4.11 113.70 119.99 1gtz s SER 120 Ca 0.11 -0.30 -0.02 0.00 0.70 0.00 0.00 55.95 56.44 1gtz s SER 120 Cb -0.12 -0.82 0.41 0.00 -1.71 0.00 0.00 66.02 63.78 1gtz s SER 120 CO 0.02 -0.04 1.94 1.88 1.20 0.00 0.00 173.24 178.24 1gtz h TYR 121 N 7.52 1.11 -0.39 3.44 -1.99 -1.31 -3.05 116.97 122.30 1gtz h TYR 121 Ca -0.31 0.03 -0.06 0.00 2.00 0.00 0.00 58.73 60.39 1gtz h TYR 121 Cb 1.16 -0.37 -0.02 0.00 2.00 0.00 0.00 36.73 39.50 1gtz h TYR 121 CO 0.48 0.66 0.00 0.28 -0.00 0.00 0.00 178.16 179.59 1gtz h VAL 122 N 1.17 1.21 0.00 -2.88 2.07 -1.86 -2.76 116.25 113.20 1gtz h VAL 122 Ca 0.35 -0.86 0.00 0.00 0.82 0.00 0.00 66.70 67.01 1gtz h VAL 122 Cb -0.03 0.91 0.00 0.00 -1.52 0.00 0.00 31.29 30.65 1gtz h VAL 122 CO -0.10 0.30 0.00 0.77 0.02 0.00 0.00 177.57 178.56 1gtz h SER 123 N 0.59 0.00 1.35 0.57 4.64 -1.89 0.78 113.55 119.59 1gtz h SER 123 Ca 0.12 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.44 1gtz h SER 123 Cb 0.37 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.46 1gtz h SER 123 CO 0.01 0.00 0.00 1.56 -0.87 0.00 0.00 176.83 177.53 1gtz h GLN 124 N 0.00 0.00 0.00 4.77 4.20 -1.64 -3.29 115.11 119.15 1gtz h GLN 124 Ca 0.00 0.00 -0.24 0.00 0.06 0.00 0.00 58.65 58.47 1gtz h GLN 124 Cb 0.02 0.00 -0.04 0.00 0.30 0.00 0.00 27.48 27.75 1gtz h GLN 124 CO 0.00 0.00 -1.90 -2.13 -0.67 0.00 0.00 178.83 174.13 1gtz n ARG 125 N -2.32 0.98 -1.69 1.46 3.00 -0.59 -5.02 116.66 112.48 1gtz n ARG 125 Ca 0.05 0.06 -0.41 0.00 -0.00 0.00 0.00 57.85 57.54 1gtz n ARG 125 Cb 0.39 -1.32 0.01 0.00 0.00 0.00 0.00 32.46 31.54 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 -2.78 1.14 -0.08 5.13 0.00 0.17 -4.89 120.51 119.20 1gtz n ALA 126 Ca -0.25 0.25 -0.12 0.00 0.00 0.00 0.00 53.44 53.32 1gtz n ALA 126 Cb 0.84 -2.24 -0.05 0.00 0.00 0.00 0.00 19.45 18.00 1gtz n ALA 126 CO 0.00 0.00 0.00 -0.44 0.00 0.00 0.00 177.50 177.06 1gtz h ASP 127 N 1.98 0.43 -3.28 0.00 3.32 -1.26 -3.46 116.42 114.15 1gtz h ASP 127 Ca -0.47 -0.37 -0.44 0.00 0.02 0.00 0.00 57.03 55.76 1gtz h ASP 127 Cb 1.30 -0.12 -0.14 0.00 0.22 0.00 0.00 39.33 40.59 1gtz h ASP 127 CO 0.59 0.70 -0.69 -0.83 -1.72 0.00 0.00 179.24 177.29 1gtz s GLY 128 N -3.25 1.60 -0.11 2.75 0.00 -1.19 -5.07 107.32 102.06 1gtz s GLY 128 Ca -0.14 -1.78 -0.04 0.00 0.00 0.00 0.00 44.72 42.76 1gtz s GLY 128 CO 0.75 -1.76 0.23 0.14 0.00 0.00 0.00 173.10 172.46 1gtz s VAL 129 N -3.11 -0.23 -0.04 1.40 1.01 -1.26 -1.59 120.40 116.58 1gtz s VAL 129 Ca 0.26 0.24 0.05 0.00 0.00 0.00 0.00 61.98 62.54 1gtz s VAL 129 Cb 0.03 -0.37 -0.02 0.00 0.00 0.00 0.00 36.38 36.01 1gtz s VAL 129 CO 0.09 0.10 -0.19 -0.69 0.00 0.00 0.00 175.10 174.41 1gtz s VAL 130 N 1.90 2.61 -0.14 2.92 1.01 0.00 -5.00 120.40 123.70 1gtz s VAL 130 Ca -0.03 -0.89 -0.09 0.00 0.00 0.00 0.00 61.98 60.97 1gtz s VAL 130 Cb -0.11 -1.98 0.05 0.00 0.00 0.00 0.00 36.38 34.34 1gtz s VAL 130 CO -0.08 0.58 0.35 0.00 0.00 0.00 0.00 175.10 175.96 1gtz s ALA 131 N -0.62 -0.87 0.00 5.51 0.00 -1.26 -1.23 121.76 123.29 1gtz s ALA 131 Ca 0.09 1.28 0.00 0.00 0.00 0.00 0.00 51.96 53.33 1gtz s ALA 131 Cb -0.11 -0.78 0.00 0.00 0.00 0.00 0.00 23.12 22.23 1gtz s ALA 131 CO 0.00 -0.23 0.00 0.41 0.00 0.00 0.00 175.76 175.94 1gtz n GLY 132 N 4.01 0.54 1.61 0.00 0.00 -0.60 -4.74 105.19 106.01 1gtz n GLY 132 Ca -0.22 -0.16 0.07 0.00 0.00 0.00 0.00 46.02 45.70 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 0.68 0.25 0.15 0.00 0.00 -1.01 -2.84 105.19 102.42 1gtz n GLY 134 Ca 0.23 -0.92 0.13 0.00 0.00 0.00 0.00 46.02 45.47 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 -0.27 1.61 -1.51 -1.89 -2.28 116.25 111.91 1gtz h VAL 135 Ca 0.00 -0.41 0.08 0.00 -1.23 0.00 0.00 66.70 65.14 1gtz h VAL 135 Cb 0.00 1.28 -0.01 0.00 -2.13 0.00 0.00 31.29 30.43 1gtz h VAL 135 CO 0.00 0.00 0.20 -0.61 -1.23 0.00 0.00 177.57 175.93 1gtz h GLN 136 N 0.00 0.00 -0.09 5.19 4.15 -1.96 -0.58 115.11 121.82 1gtz h GLN 136 Ca 0.00 0.00 0.03 0.00 0.77 0.00 0.00 58.65 59.45 1gtz h GLN 136 Cb 0.55 0.00 -0.00 0.00 0.21 0.00 0.00 27.48 28.24 1gtz h GLN 136 CO 0.00 0.00 0.08 0.78 -1.93 0.00 0.00 178.83 177.76 1gtz h GLY 137 N 0.00 0.00 1.47 2.39 0.00 -1.25 0.28 103.07 105.95 1gtz h GLY 137 Ca 0.13 0.00 -0.10 0.00 0.00 0.00 0.00 47.33 47.36 1gtz h GLY 137 CO -0.00 0.00 -0.19 -0.97 0.00 0.00 0.00 176.54 175.37 1gtz h TYR 138 N 0.00 0.69 -0.43 5.60 -1.99 -1.31 -0.90 116.97 118.64 1gtz h TYR 138 Ca 0.04 -0.14 -0.06 0.00 2.00 0.00 0.00 58.73 60.58 1gtz h TYR 138 Cb 0.21 -0.17 -0.02 0.00 2.00 0.00 0.00 36.73 38.75 1gtz h TYR 138 CO 0.00 0.78 0.05 0.28 -0.00 0.00 0.00 178.16 179.26 1gtz h VAL 139 N 0.56 1.25 0.06 -2.88 2.07 -1.06 -0.35 116.25 115.89 1gtz h VAL 139 Ca 0.09 -0.93 0.03 0.00 0.82 0.00 0.00 66.70 66.70 1gtz h VAL 139 Cb 0.64 1.02 -0.04 0.00 -1.52 0.00 0.00 31.29 31.39 1gtz h VAL 139 CO 0.05 0.32 -0.32 -0.26 0.02 0.00 0.00 177.57 177.37 1gtz h PHE 140 N 0.57 -0.88 -0.47 1.57 0.05 -1.27 0.02 116.94 116.53 1gtz h PHE 140 Ca 0.13 0.02 0.09 0.00 3.82 0.00 0.00 57.97 62.03 1gtz h PHE 140 Cb 0.41 0.38 -0.10 0.00 2.00 0.00 0.00 35.95 38.64 1gtz h PHE 140 CO 0.03 -0.42 -0.35 0.78 -0.18 0.00 0.00 178.31 178.17 1gtz h GLY 141 N -0.51 -0.26 0.84 -1.45 0.00 -0.83 0.35 103.07 101.21 1gtz h GLY 141 Ca 0.04 0.45 0.03 0.00 0.00 0.00 0.00 47.33 47.85 1gtz h GLY 141 CO -0.23 -0.20 0.37 -2.08 0.00 0.00 0.00 176.54 174.41 1gtz h VAL 142 N -0.23 1.06 -0.40 4.60 2.07 -0.47 -0.28 116.25 122.59 1gtz h VAL 142 Ca 0.19 -0.25 -0.02 0.00 0.82 0.00 0.00 66.70 67.44 1gtz h VAL 142 Cb 0.55 0.26 -0.02 0.00 -1.52 0.00 0.00 31.29 30.56 1gtz h VAL 142 CO -0.60 0.13 0.18 -0.33 0.02 0.00 0.00 177.57 176.98 1gtz h GLU 143 N 0.73 0.55 -0.36 1.57 5.08 -0.66 -1.50 114.58 120.00 1gtz h GLU 143 Ca 0.25 -0.06 -0.16 0.00 -1.00 0.00 0.00 59.36 58.39 1gtz h GLU 143 Cb 0.05 -0.11 -0.00 0.00 0.50 0.00 0.00 28.75 29.18 1gtz h GLU 143 CO -0.11 0.44 -0.40 -0.09 -1.00 0.00 0.00 179.01 177.85 1gtz h ARG 144 N 0.56 0.90 -0.63 2.33 9.65 -0.41 -2.08 114.38 124.70 1gtz h ARG 144 Ca 0.14 -0.49 -0.05 0.00 -1.10 0.00 0.00 59.98 58.48 1gtz h ARG 144 Cb 0.08 0.02 -0.03 0.00 -1.39 0.00 0.00 29.97 28.66 1gtz h ARG 144 CO -0.02 1.14 0.20 0.82 2.80 0.00 0.00 179.97 184.91 1gtz h ILE 145 N 0.71 1.25 -0.73 1.20 1.08 -0.42 -1.54 117.51 119.06 1gtz h ILE 145 Ca 0.05 -0.85 0.11 0.00 -0.39 0.00 0.00 64.86 63.79 1gtz h ILE 145 Cb 0.99 0.60 -0.08 0.00 -3.07 0.00 0.00 36.82 35.27 1gtz h ILE 145 CO 0.10 0.32 0.33 0.00 -0.69 0.00 0.00 178.15 178.21 1gtz h ALA 146 N 1.07 1.02 -0.35 1.87 0.00 -1.14 0.16 119.26 121.89 1gtz h ALA 146 Ca 0.20 0.08 -0.07 0.00 0.00 0.00 0.00 54.91 55.13 1gtz h ALA 146 Cb 0.30 0.01 -0.01 0.00 0.00 0.00 0.00 17.79 18.08 1gtz h ALA 146 CO -0.01 -0.12 -0.04 0.00 0.00 0.00 0.00 179.25 179.09 1gtz h ALA 147 N 1.48 0.47 0.00 0.00 0.00 -0.93 -3.17 119.26 117.10 1gtz h ALA 147 Ca 0.38 -0.27 -0.11 0.00 0.00 0.00 0.00 54.91 54.90 1gtz h ALA 147 Cb 0.48 -0.13 -0.02 0.00 0.00 0.00 0.00 17.79 18.13 1gtz h ALA 147 CO -0.32 0.28 -0.53 -0.07 0.00 0.00 0.00 179.25 178.60 1gtz h LEU 148 N 0.44 0.00 -1.33 0.00 3.38 -0.59 -3.23 115.31 113.97 1gtz h LEU 148 Ca 0.09 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.06 1gtz h LEU 148 Cb 0.52 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.27 1gtz h LEU 148 CO 0.03 0.53 0.00 0.00 0.09 0.00 0.00 178.44 179.08 1gtz n ALA 149 N -2.29 2.47 -0.07 1.53 0.00 0.49 -5.01 120.51 117.64 1gtz n ALA 149 Ca 0.01 -0.63 0.00 0.00 0.00 0.00 0.00 53.44 52.82 1gtz n ALA 149 Cb 0.66 -1.01 0.00 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