#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2hgu s LYS 3 N 0.00 0.16 -0.88 1.97 2.20 -1.26 -5.14 119.74 116.79 2hgu s LYS 3 Ca 0.00 -0.02 -0.19 0.00 -0.36 0.00 0.00 55.97 55.41 2hgu s LYS 3 Cb 0.00 0.03 0.13 0.00 -1.51 0.00 0.00 37.83 36.48 2hgu s LYS 3 CO 0.00 -0.24 1.06 0.14 -0.36 0.00 0.00 175.35 175.95 2hgu s VAL 4 N 2.19 4.77 0.57 4.02 -7.23 -1.26 -5.06 120.40 118.40 2hgu s VAL 4 Ca 0.18 -1.53 -0.18 0.00 -1.81 0.00 0.00 61.98 58.64 2hgu s VAL 4 Cb 0.02 -4.73 -0.09 0.00 0.56 0.00 0.00 36.38 32.14 2hgu s VAL 4 CO -0.17 -1.45 0.52 0.52 -0.31 0.00 0.00 175.10 174.22 2hgu n VAL 5 N 5.40 2.25 0.00 1.32 0.31 -1.26 -4.88 118.33 121.47 2hgu n VAL 5 Ca 0.19 -0.50 0.00 0.00 -0.01 0.00 0.00 64.34 64.02 2hgu n VAL 5 Cb 0.48 -0.68 0.00 0.00 -0.91 0.00 0.00 33.84 32.74 2hgu n VAL 5 CO 0.00 0.00 0.00 0.00 -1.32 0.00 0.00 176.83 175.51 2hgu n ALA 6 N -1.69 0.00 -1.70 3.52 0.00 -1.26 -5.09 120.51 114.29 2hgu n ALA 6 Ca 0.12 0.00 -0.44 0.00 0.00 0.00 0.00 53.44 53.12 2hgu n ALA 6 Cb 0.47 0.00 -0.02 0.00 0.00 0.00 0.00 19.45 19.90 2hgu n ALA 6 CO 0.00 0.00 0.00 1.33 0.00 0.00 0.00 177.50 178.83 2hgu n VAL 7 N 0.00 0.83 -3.31 0.00 0.24 -1.26 -4.63 118.33 110.20 2hgu n VAL 7 Ca 0.00 -0.21 -0.41 0.00 -2.04 0.00 0.00 64.34 61.68 2hgu n VAL 7 Cb 0.00 -1.69 -0.08 0.00 -1.47 0.00 0.00 33.84 30.60 2hgu n VAL 7 CO 0.00 0.00 0.00 -0.69 -2.14 0.00 0.00 176.83 174.00 2hgu s VAL 8 N 0.12 5.08 -0.40 3.34 1.01 -0.15 -4.95 120.40 124.46 2hgu s VAL 8 Ca 0.68 0.27 -0.22 0.00 0.00 0.00 0.00 61.98 62.71 2hgu s VAL 8 Cb -0.59 -3.89 0.01 0.00 0.00 0.00 0.00 36.38 31.91 2hgu s VAL 8 CO 0.47 -0.14 0.73 -0.54 0.00 0.00 0.00 175.10 175.62 2hgu s LYS 9 N 2.24 3.57 0.09 2.72 1.02 -1.26 -0.89 119.74 127.22 2hgu s LYS 9 Ca 0.16 0.03 0.07 0.00 0.02 0.00 0.00 55.97 56.25 2hgu s LYS 9 Cb -0.16 -3.87 -0.03 0.00 -0.52 0.00 0.00 37.83 33.25 2hgu s LYS 9 CO 0.12 -0.93 -0.18 -0.48 -0.92 0.00 0.00 175.35 172.97 2hgu s LEU 10 N 3.03 2.29 -0.15 3.17 2.34 -0.21 -4.98 118.68 124.16 2hgu s LEU 10 Ca 0.28 -0.66 -0.01 0.00 0.06 0.00 0.00 54.13 53.80 2hgu s LEU 10 Cb -0.13 -0.70 -0.01 0.00 -0.56 0.00 0.00 46.19 44.78 2hgu s LEU 10 CO 0.18 -0.01 -0.11 -1.10 -1.06 0.00 0.00 176.35 174.25 2hgu s GLN 11 N -1.85 3.39 0.22 1.48 -0.21 -1.26 -1.06 119.66 120.37 2hgu s GLN 11 Ca 0.03 -0.67 -0.12 0.00 0.02 0.00 0.00 55.36 54.62 2hgu s GLN 11 Cb -0.10 -2.72 -0.00 0.00 1.00 0.00 0.00 33.01 31.18 2hgu s GLN 11 CO 0.03 0.12 0.41 -0.51 -2.12 0.00 0.00 175.29 173.23 2hgu s LEU 12 N 0.59 0.50 -0.66 2.90 1.43 0.08 -4.95 118.68 118.57 2hgu s LEU 12 Ca -0.07 -0.90 -0.19 0.00 -1.03 0.00 0.00 54.13 51.94 2hgu s LEU 12 Cb -0.15 1.58 -0.16 0.00 0.03 0.00 0.00 46.19 47.48 2hgu s LEU 12 CO 0.03 -1.05 1.87 -0.81 0.23 0.00 0.00 176.35 176.62 2hgu n PRO 13 N -0.33 1.34 -1.53 1.29 -0.04 -1.26 -1.22 135.00 133.25 2hgu n PRO 13 Ca -0.04 -1.61 -0.55 0.00 -0.04 0.00 0.00 63.50 61.27 2hgu n PRO 13 Cb 0.62 -2.74 -0.07 0.00 -0.04 0.00 0.00 33.50 31.28 2hgu n PRO 13 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 2hgu n ALA 14 N 6.99 -2.50 0.00 0.55 0.00 -1.26 -0.77 120.51 123.52 2hgu n ALA 14 Ca 0.46 0.55 0.00 0.00 0.00 0.00 0.00 53.44 54.45 2hgu n ALA 14 Cb 0.34 -1.88 0.00 0.00 0.00 0.00 0.00 19.45 17.91 2hgu n ALA 14 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 2hgu n GLY 15 N 1.90 2.17 0.00 0.00 0.00 -1.25 -4.01 105.19 103.99 2hgu n GLY 15 Ca 0.19 -0.52 0.00 0.00 0.00 0.00 0.00 46.02 45.69 2hgu n GLY 15 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 2hgu n LYS 16 N 0.00 2.29 0.00 1.61 4.01 0.05 -4.92 118.16 121.19 2hgu n LYS 16 Ca 0.00 0.00 0.00 0.00 -0.51 0.00 0.00 58.31 57.80 2hgu n LYS 16 Cb 0.00 0.00 0.00 0.00 -0.51 0.00 0.00 35.03 34.52 2hgu n LYS 16 CO 0.00 0.00 0.00 0.00 -1.11 0.00 0.00 177.40 176.29 2hgu n ALA 17 N -3.00 0.00 0.00 7.82 0.00 -1.26 -4.43 120.51 119.64 2hgu n ALA 17 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.44 2hgu n ALA 17 Cb 0.00 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.45 2hgu n ALA 17 CO 0.00 0.00 0.00 0.25 0.00 0.00 0.00 177.50 177.75 2hgu n THR 18 N 0.00 0.00 -1.46 0.00 -2.24 -1.26 -4.76 114.28 104.56 2hgu n THR 18 Ca 0.00 0.00 -0.48 0.00 -2.27 0.00 0.00 64.05 61.30 2hgu n THR 18 Cb 0.00 0.00 -0.08 0.00 -2.10 0.00 0.00 70.33 68.15 2hgu n THR 18 CO 0.00 0.00 0.00 -0.81 -0.57 0.00 0.00 175.07 173.69 2hgu n PRO 19 N 0.00 0.92 0.00 -0.78 -0.04 -1.26 -4.66 135.00 129.18 2hgu n PRO 19 Ca 0.00 0.21 0.00 0.00 -0.04 0.00 0.00 63.50 63.67 2hgu n PRO 19 Cb 0.00 -2.46 0.00 0.00 -0.04 0.00 0.00 33.50 31.00 2hgu n PRO 19 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 2hgu n ALA 20 N 10.71 0.00 0.14 0.55 0.00 -1.26 -1.07 120.51 129.58 2hgu n ALA 20 Ca 0.44 0.00 -0.14 0.00 0.00 0.00 0.00 53.44 53.74 2hgu n ALA 20 Cb 0.24 0.07 -0.08 0.00 0.00 0.00 0.00 19.45 19.69 2hgu n ALA 20 CO 0.00 0.00 0.00 -1.00 0.00 0.00 0.00 177.50 176.50 2hgu h PRO 21 N 0.00 -0.30 0.00 0.00 0.13 -1.98 -0.50 132.00 129.35 2hgu h PRO 21 Ca 0.00 0.02 0.00 0.00 -0.87 0.00 0.00 66.00 65.15 2hgu h PRO 21 Cb 0.00 0.07 0.00 0.00 0.13 0.00 0.00 31.00 31.20 2hgu h PRO 21 CO 0.00 -0.13 0.00 -1.00 -0.23 0.00 0.00 178.00 176.64 2hgu h PRO 22 N -0.40 0.00 0.00 1.56 0.13 -1.80 -3.31 132.00 128.19 2hgu h PRO 22 Ca -0.03 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.10 2hgu h PRO 22 Cb 0.30 0.00 0.00 0.00 0.13 0.00 0.00 31.00 31.43 2hgu h PRO 22 CO 0.05 0.00 -0.84 0.28 -0.23 0.00 0.00 178.00 177.26 2hgu n VAL 23 N -2.80 0.00 0.00 1.56 0.31 -0.23 -4.04 118.33 113.13 2hgu n VAL 23 Ca 0.02 -0.04 0.00 0.00 -0.01 0.00 0.00 64.34 64.31 2hgu n VAL 23 Cb 0.36 0.51 0.00 0.00 -0.91 0.00 0.00 33.84 33.81 2hgu n VAL 23 CO 0.00 0.00 0.00 0.61 -1.32 0.00 0.00 176.83 176.12 2hgu n GLY 24 N 2.19 -0.78 0.00 2.92 0.00 -0.20 -2.79 105.19 106.53 2hgu n GLY 24 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.02 2hgu n GLY 24 CO 0.00 0.00 0.00 -1.05 0.00 0.00 0.00 173.32 172.27 2hgu n PRO 25 N -1.17 0.00 0.00 1.61 -0.02 -1.24 -3.29 135.00 130.89 2hgu n PRO 25 Ca 0.00 0.33 0.00 0.00 -2.02 0.00 0.00 63.50 61.81 2hgu n PRO 25 Cb 0.00 -1.24 0.00 0.00 -0.02 0.00 0.00 33.50 32.24 2hgu n PRO 25 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 2hgu n ALA 26 N -1.50 0.00 -0.37 3.55 0.00 -1.24 -1.16 120.51 119.77 2hgu n ALA 26 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.44 2hgu n ALA 26 Cb 0.00 0.06 0.00 0.00 0.00 0.00 0.00 19.45 19.51 2hgu n ALA 26 CO 0.00 0.00 0.00 1.28 0.00 0.00 0.00 177.50 178.78 2hgu n LEU 27 N -0.93 0.00 -0.30 0.00 4.77 -1.25 -1.01 117.00 118.28 2hgu n LEU 27 Ca 0.00 0.81 0.03 0.00 -0.03 0.00 0.00 56.01 56.82 2hgu n LEU 27 Cb 0.00 -0.31 0.08 0.00 -2.33 0.00 0.00 43.42 40.86 2hgu n LEU 27 CO 0.00 -0.31 0.51 0.61 -1.33 0.00 0.00 177.39 176.87 2hgu n GLY 28 N -0.87 -1.48 0.12 -0.72 0.00 -0.97 0.18 105.19 101.45 2hgu n GLY 28 Ca 0.00 0.88 -0.16 0.00 0.00 0.00 0.00 46.02 46.75 2hgu n GLY 28 CO 0.00 0.00 0.00 -0.18 0.00 0.00 0.00 173.32 173.14 2hgu n GLN 29 N -5.28 0.69 0.02 1.61 0.00 -0.31 -4.10 117.38 110.02 2hgu n GLN 29 Ca 0.11 0.21 -0.05 0.00 -0.00 0.00 0.00 57.00 57.27 2hgu n GLN 29 Cb 0.38 -1.67 0.15 0.00 0.00 0.00 0.00 30.24 29.09 2hgu n GLN 29 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 177.06 178.31 2hgu h HIS 30 N 0.03 0.56 0.00 3.69 2.76 -0.87 -3.45 115.15 117.87 2hgu h HIS 30 Ca -0.43 -0.15 0.00 0.00 -2.20 0.00 0.00 60.37 57.59 2hgu h HIS 30 Cb 2.03 -0.12 0.00 0.00 1.55 0.00 0.00 27.41 30.87 2hgu h HIS 30 CO 0.04 0.79 0.00 0.41 -1.30 0.00 0.00 177.93 177.87 2hgu n GLY 31 N -0.10 -0.17 0.00 5.26 0.00 -0.37 -4.72 105.19 105.09 2hgu n GLY 31 Ca -0.01 0.04 0.00 0.00 0.00 0.00 0.00 46.02 46.05 2hgu n GLY 31 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2hgu n ALA 32 N 0.00 0.00 -3.62 4.61 0.00 0.49 -4.39 120.51 117.60 2hgu n ALA 32 Ca 0.00 0.00 -0.14 0.00 0.00 0.00 0.00 53.44 53.30 2hgu n ALA 32 Cb 0.00 0.00 -0.13 0.00 0.00 0.00 0.00 19.45 19.32 2hgu n ALA 32 CO 0.00 0.00 0.00 -0.80 0.00 0.00 0.00 177.50 176.70 2hgu s ASN 33 N 2.00 0.49 0.00 0.00 0.01 -1.25 -2.29 114.94 113.90 2hgu s ASN 33 Ca 0.00 0.46 0.00 0.00 -0.71 0.00 0.00 52.86 52.61 2hgu s ASN 33 Cb 0.00 0.68 0.00 0.00 0.41 0.00 0.00 41.25 42.34 2hgu s ASN 33 CO 0.00 -0.26 0.00 -0.38 -1.51 0.00 0.00 177.10 174.95 2hgu n ILE 34 N 5.35 0.00 0.10 0.60 5.41 -1.12 -1.24 119.36 128.46 2hgu n ILE 34 Ca -0.06 0.04 0.11 0.00 1.00 0.00 0.00 62.75 63.84 2hgu n ILE 34 Cb 0.50 -0.37 0.60 0.00 -0.71 0.00 0.00 39.64 39.66 2hgu n ILE 34 CO 0.00 0.00 0.00 -0.03 0.00 0.00 0.00 176.55 176.52 2hgu h MET 35 N 0.00 0.13 0.06 0.38 4.05 -1.90 0.03 114.93 117.68 2hgu h MET 35 Ca 0.00 -0.01 -0.00 0.00 -0.28 0.00 0.00 59.70 59.41 2hgu h MET 35 Cb 0.00 -0.03 0.00 0.00 -0.80 0.00 0.00 31.60 30.77 2hgu h MET 35 CO 0.00 0.09 -0.03 1.49 0.23 0.00 0.00 176.91 178.69 2hgu h GLU 36 N 0.14 -0.08 -0.70 0.39 4.81 -1.97 0.59 114.58 117.75 2hgu h GLU 36 Ca 0.13 0.01 0.06 0.00 -0.13 0.00 0.00 59.36 59.42 2hgu h GLU 36 Cb 0.35 0.02 -0.04 0.00 0.63 0.00 0.00 28.75 29.70 2hgu h GLU 36 CO -0.02 0.49 0.46 0.74 -0.73 0.00 0.00 179.01 179.96 2hgu h PHE 37 N -0.75 0.75 -0.23 0.92 0.05 -1.10 -1.09 116.94 115.49 2hgu h PHE 37 Ca -0.01 0.02 0.06 0.00 3.82 0.00 0.00 57.97 61.86 2hgu h PHE 37 Cb 0.61 -0.25 -0.07 0.00 2.00 0.00 0.00 35.95 38.24 2hgu h PHE 37 CO 0.13 0.40 -0.27 0.28 -0.18 0.00 0.00 178.31 178.67 2hgu h VAL 38 N 0.75 0.35 -0.09 -0.55 2.07 -0.69 0.95 116.25 119.04 2hgu h VAL 38 Ca 0.30 0.00 -0.08 0.00 0.82 0.00 0.00 66.70 67.73 2hgu h VAL 38 Cb 0.22 0.35 -0.01 0.00 -1.52 0.00 0.00 31.29 30.33 2hgu h VAL 38 CO -0.09 0.00 -0.33 0.11 0.02 0.00 0.00 177.57 177.28 2hgu h LYS 39 N -0.29 0.16 -0.34 1.57 1.57 0.29 0.31 116.57 119.86 2hgu h LYS 39 Ca 0.13 -0.06 0.02 0.00 -1.87 0.00 0.00 60.65 58.87 2hgu h LYS 39 Cb 0.49 -0.01 -0.02 0.00 0.08 0.00 0.00 32.23 32.77 2hgu h LYS 39 CO -0.39 0.48 0.19 0.00 -0.57 0.00 0.00 179.45 179.15 2hgu h ALA 40 N 1.53 0.42 -0.32 3.86 0.00 -0.62 -0.37 119.26 123.76 2hgu h ALA 40 Ca 0.02 -0.00 0.03 0.00 0.00 0.00 0.00 54.91 54.96 2hgu h ALA 40 Cb 0.65 -0.08 -0.04 0.00 0.00 0.00 0.00 17.79 18.32 2hgu h ALA 40 CO 0.05 -0.18 -0.22 0.74 0.00 0.00 0.00 179.25 179.65 2hgu h PHE 41 N 0.38 -0.69 -0.97 0.00 0.05 0.25 0.45 116.94 116.41 2hgu h PHE 41 Ca 0.13 0.04 0.10 0.00 3.82 0.00 0.00 57.97 62.07 2hgu h PHE 41 Cb 0.02 0.34 -0.13 0.00 2.00 0.00 0.00 35.95 38.19 2hgu h PHE 41 CO -0.08 -0.15 -0.54 0.09 -0.18 0.00 0.00 178.31 177.45 2hgu n ASN 42 N -3.80 -0.95 -0.26 2.17 3.02 -0.00 0.96 115.26 116.39 2hgu n ASN 42 Ca 0.00 1.73 0.04 0.00 -0.03 0.00 0.00 54.58 56.32 2hgu n ASN 42 Cb 0.10 -0.26 0.09 0.00 -0.61 0.00 0.00 39.78 39.11 2hgu n ASN 42 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 2hgu n ALA 43 N -3.31 0.15 -0.00 5.41 0.00 0.15 -1.06 120.51 121.84 2hgu n ALA 43 Ca 0.04 0.79 -0.00 0.00 0.00 0.00 0.00 53.44 54.26 2hgu n ALA 43 Cb 0.28 -0.46 -0.00 0.00 0.00 0.00 0.00 19.45 19.27 2hgu n ALA 43 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 2hgu h ALA 44 N 1.40 0.00 -0.13 0.00 0.00 0.18 -3.38 119.26 117.33 2hgu h ALA 44 Ca 0.34 -0.14 0.04 0.00 0.00 0.00 0.00 54.91 55.14 2hgu h ALA 44 Cb 0.52 0.00 -0.01 0.00 0.00 0.00 0.00 17.79 18.30 2hgu h ALA 44 CO -0.74 0.00 1.01 1.79 0.00 0.00 0.00 179.25 181.31 2hgu h THR 45 N -0.00 0.00 -1.24 0.00 1.35 -0.59 -1.56 112.91 110.87 2hgu h THR 45 Ca 0.00 0.00 0.40 0.00 -0.55 0.00 0.00 66.41 66.26 2hgu h THR 45 Cb 0.00 0.02 -0.09 0.00 -1.73 0.00 0.00 68.15 66.35 2hgu h THR 45 CO 0.00 0.00 0.83 0.00 -0.25 0.00 0.00 175.52 176.10 2hgu n ALA 46 N -1.60 1.21 -1.50 6.62 0.00 -0.23 -0.52 120.51 124.48 2hgu n ALA 46 Ca 0.03 0.63 0.07 0.00 0.00 0.00 0.00 53.44 54.16 2hgu n ALA 46 Cb 1.05 -0.85 0.12 0.00 0.00 0.00 0.00 19.45 19.76 2hgu n ALA 46 CO 0.00 0.00 0.00 -1.71 0.00 0.00 0.00 177.50 175.79 2hgu n ASN 47 N -4.01 1.62 -3.42 0.00 2.85 -0.59 -4.92 115.26 106.80 2hgu n ASN 47 Ca 0.33 -2.97 -0.15 0.00 -0.11 0.00 0.00 54.58 51.68 2hgu n ASN 47 Cb 1.35 -0.40 -0.10 0.00 1.24 0.00 0.00 39.78 41.87 2hgu n ASN 47 CO 0.00 0.00 0.00 -0.04 -2.11 0.00 0.00 177.26 175.11 2hgu s MET 48 N -2.14 0.28 0.00 1.20 -1.94 0.32 -5.09 119.30 111.93 2hgu s MET 48 Ca 0.27 0.19 0.00 0.00 -1.71 0.00 0.00 55.69 54.44 2hgu s MET 48 Cb 0.26 -0.80 0.00 0.00 2.01 0.00 0.00 34.83 36.29 2hgu s MET 48 CO -0.02 -0.78 0.00 0.41 -0.01 0.00 0.00 175.02 174.62 2hgu n GLY 49 N 5.33 -2.05 0.00 -0.03 0.00 -1.26 -3.88 105.19 103.30 2hgu n GLY 49 Ca -0.04 0.99 0.00 0.00 0.00 0.00 0.00 46.02 46.97 2hgu n GLY 49 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 2hgu n ASP 50 N 0.00 0.00 -0.12 1.61 8.00 -1.26 -4.63 116.55 120.15 2hgu n ASP 50 Ca 0.00 0.00 0.00 0.00 0.71 0.00 0.00 54.79 55.50 2hgu n ASP 50 Cb 0.00 0.00 0.00 0.00 -0.02 0.00 0.00 41.12 41.10 2hgu n ASP 50 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 2hgu n ALA 51 N 0.00 1.24 -0.45 2.24 0.00 -1.26 -5.12 120.51 117.17 2hgu n ALA 51 Ca 0.00 -0.61 0.00 0.00 0.00 0.00 0.00 53.44 52.83 2hgu n ALA 51 Cb 0.00 -0.12 0.00 0.00 0.00 0.00 0.00 19.45 19.33 2hgu n ALA 51 CO 0.00 0.00 0.00 -0.89 0.00 0.00 0.00 177.50 176.61 2hgu n ILE 52 N 0.00 -1.46 -4.59 0.00 5.41 -1.26 -4.70 119.36 112.77 2hgu n ILE 52 Ca 0.00 0.54 -0.23 0.00 1.00 0.00 0.00 62.75 64.05 2hgu n ILE 52 Cb 0.55 -0.80 -0.16 0.00 -0.71 0.00 0.00 39.64 38.52 2hgu n ILE 52 CO 0.00 0.00 0.00 -0.69 0.00 0.00 0.00 176.55 175.86 2hgu s VAL 53 N -3.51 1.08 -0.09 1.39 1.01 -0.35 -4.66 120.40 115.27 2hgu s VAL 53 Ca 0.00 -0.51 0.00 0.00 0.00 0.00 0.00 61.98 61.47 2hgu s VAL 53 Cb 0.00 -0.95 -0.03 0.00 0.00 0.00 0.00 36.38 35.40 2hgu s VAL 53 CO 0.00 0.33 -0.09 -2.16 0.00 0.00 0.00 175.10 173.18 2hgu s PRO 54 N 0.22 3.00 -0.09 2.72 0.04 -1.26 -0.74 135.00 138.88 2hgu s PRO 54 Ca -0.05 -0.60 -0.14 0.00 0.04 0.00 0.00 61.00 60.26 2hgu s PRO 54 Cb -0.11 -2.62 0.03 0.00 0.04 0.00 0.00 34.50 31.84 2hgu s PRO 54 CO 0.02 0.49 0.35 0.08 0.04 0.00 0.00 177.00 177.97 2hgu s VAL 55 N -0.36 0.02 -0.17 -0.36 1.01 -0.22 -1.38 120.40 118.93 2hgu s VAL 55 Ca 0.05 -0.17 -0.06 0.00 0.00 0.00 0.00 61.98 61.80 2hgu s VAL 55 Cb -0.12 -0.55 -0.04 0.00 0.00 0.00 0.00 36.38 35.67 2hgu s VAL 55 CO 0.02 -0.09 0.03 -0.70 0.00 0.00 0.00 175.10 174.36 2hgu s GLU 56 N -0.37 3.88 -0.06 2.72 2.12 -0.08 -1.05 118.70 125.87 2hgu s GLU 56 Ca -0.05 -0.40 0.03 0.00 0.36 0.00 0.00 54.97 54.92 2hgu s GLU 56 Cb -0.03 -3.12 0.00 0.00 0.26 0.00 0.00 34.13 31.24 2hgu s GLU 56 CO 0.02 0.27 -0.16 0.96 -0.54 0.00 0.00 175.26 175.81 2hgu s ILE 57 N 0.34 1.36 0.35 -3.70 -4.36 -0.07 -1.28 121.20 113.85 2hgu s ILE 57 Ca 0.01 -0.65 -0.10 0.00 -0.26 0.00 0.00 60.65 59.65 2hgu s ILE 57 Cb -0.13 -1.19 0.03 0.00 1.25 0.00 0.00 42.46 42.41 2hgu s ILE 57 CO 0.01 0.40 0.63 0.28 0.24 0.00 0.00 174.94 176.50 2hgu s THR 58 N 0.29 0.00 -0.45 8.37 -1.32 0.13 -0.97 115.64 121.69 2hgu s THR 58 Ca -0.09 -1.28 -0.07 0.00 -1.21 0.00 0.00 61.69 59.04 2hgu s THR 58 Cb -0.13 -2.69 0.12 0.00 -1.51 0.00 0.00 72.50 68.28 2hgu s THR 58 CO 0.03 0.00 0.30 -0.63 -2.21 0.00 0.00 174.62 172.11 2hgu s ILE 59 N -2.81 3.88 0.00 5.08 1.01 -1.25 -1.40 121.20 125.70 2hgu s ILE 59 Ca 0.22 -1.90 0.00 0.00 0.00 0.00 0.00 60.65 58.97 2hgu s ILE 59 Cb -0.03 -3.59 0.00 0.00 0.01 0.00 0.00 42.46 38.85 2hgu s ILE 59 CO 0.15 -0.75 0.00 0.00 0.00 0.00 0.00 174.94 174.34 2hgu n TYR 60 N 4.78 0.00 -0.19 3.97 9.36 -0.28 -4.96 117.16 129.85 2hgu n TYR 60 Ca -0.06 0.00 -0.06 0.00 3.32 0.00 0.00 57.90 61.10 2hgu n TYR 60 Cb 0.41 0.00 0.06 0.00 -0.63 0.00 0.00 39.34 39.18 2hgu n TYR 60 CO 0.00 0.00 0.00 0.00 0.22 0.00 0.00 176.86 177.08 2hgu n ALA 61 N -3.00 -1.10 -0.72 2.98 0.00 -1.26 -1.35 120.51 116.06 2hgu n ALA 61 Ca 0.00 -0.32 0.00 0.00 0.00 0.00 0.00 53.44 53.12 2hgu n ALA 61 Cb 0.00 -0.03 0.00 0.00 0.00 0.00 0.00 19.45 19.42 2hgu n ALA 61 CO 0.00 0.00 0.00 -0.25 0.00 0.00 0.00 177.50 177.25 2hgu n ASP 62 N -1.58 -1.32 -3.41 0.00 9.92 -1.26 -3.27 116.55 115.62 2hgu n ASP 62 Ca 0.03 0.00 -0.30 0.00 -0.53 0.00 0.00 54.79 53.99 2hgu n ASP 62 Cb 0.13 -2.11 0.02 0.00 -0.64 0.00 0.00 41.12 38.52 2hgu n ASP 62 CO 0.00 0.00 0.00 0.54 0.13 0.00 0.00 177.20 177.87 2hgu n ARG 63 N -1.49 -1.58 -1.81 -1.24 1.74 -0.97 -4.93 116.66 106.38 2hgu n ARG 63 Ca 0.00 1.02 0.00 0.00 -0.77 0.00 0.00 57.85 58.10 2hgu n ARG 63 Cb 0.09 -1.85 0.00 0.00 -1.02 0.00 0.00 32.46 29.69 2hgu n ARG 63 CO 0.00 0.00 0.00 -1.13 -1.52 0.00 0.00 177.63 174.98 2hgu n SER 64 N -0.96 0.00 -3.86 0.55 3.41 -0.46 -5.01 113.62 107.30 2hgu n SER 64 Ca -0.17 -1.00 -0.26 0.00 -0.26 0.00 0.00 58.87 57.19 2hgu n SER 64 Cb 0.62 0.00 -0.17 0.00 -0.26 0.00 0.00 64.21 64.40 2hgu n SER 64 CO 0.00 0.00 0.00 0.72 -0.16 0.00 0.00 175.04 175.60 2hgu s PHE 65 N -3.28 1.28 0.00 7.33 -0.12 -1.25 -1.12 117.98 120.81 2hgu s PHE 65 Ca 0.00 -0.66 0.00 0.00 -0.05 0.00 0.00 56.93 56.22 2hgu s PHE 65 Cb 0.00 -1.12 0.00 0.00 -0.63 0.00 0.00 43.02 41.27 2hgu s PHE 65 CO 0.00 -0.49 0.00 0.25 -0.05 0.00 0.00 175.22 174.93 2hgu n THR 66 N 4.99 0.00 0.00 -4.49 -2.24 -0.50 -4.93 114.28 107.12 2hgu n THR 66 Ca -0.11 0.00 0.00 0.00 -2.27 0.00 0.00 64.05 61.67 2hgu n THR 66 Cb 0.49 0.00 0.00 0.00 -2.10 0.00 0.00 70.33 68.72 2hgu n THR 66 CO 0.00 0.00 0.00 0.33 -0.57 0.00 0.00 175.07 174.83 2hgu n PHE 67 N 0.00 0.00 -3.70 4.78 7.35 -1.25 -0.69 117.46 123.94 2hgu n PHE 67 Ca 0.00 0.00 -0.14 0.00 -0.76 0.00 0.00 57.45 56.55 2hgu n PHE 67 Cb 0.00 0.00 -0.14 0.00 0.35 0.00 0.00 39.48 39.69 2hgu n PHE 67 CO 0.00 0.00 0.00 0.08 -0.76 0.00 0.00 176.76 176.08 2hgu s VAL 68 N 0.00 -0.19 -0.15 -2.13 1.01 -0.40 -5.01 120.40 113.53 2hgu s VAL 68 Ca 0.00 0.23 -0.13 0.00 0.00 0.00 0.00 61.98 62.08 2hgu s VAL 68 Cb 0.00 -0.36 -0.05 0.00 0.00 0.00 0.00 36.38 35.97 2hgu s VAL 68 CO 0.00 0.09 0.27 0.42 0.00 0.00 0.00 175.10 175.89 2hgu s THR 69 N 1.75 5.31 -0.15 3.92 -4.23 -1.26 -0.91 115.64 120.07 2hgu s THR 69 Ca -0.04 0.51 -0.05 0.00 -1.18 0.00 0.00 61.69 60.93 2hgu s THR 69 Cb -0.11 -3.60 0.07 0.00 1.34 0.00 0.00 72.50 70.20 2hgu s THR 69 CO -0.08 0.43 0.29 -0.54 -0.54 0.00 0.00 174.62 174.19 2hgu s LYS 70 N 0.19 0.19 0.00 3.99 1.02 -0.48 -5.00 119.74 119.65 2hgu s LYS 70 Ca 0.16 0.75 0.00 0.00 0.02 0.00 0.00 55.97 56.91 2hgu s LYS 70 Cb -0.13 -0.07 0.00 0.00 -0.52 0.00 0.00 37.83 37.11 2hgu s LYS 70 CO 0.04 -0.32 0.00 0.25 -0.92 0.00 0.00 175.35 174.40 2hgu n THR 71 N 5.36 0.00 -1.55 2.17 -2.24 -1.26 -4.53 114.28 112.23 2hgu n THR 71 Ca -0.06 0.00 -0.18 0.00 -2.27 0.00 0.00 64.05 61.53 2hgu n THR 71 Cb 0.50 0.00 -0.09 0.00 -2.10 0.00 0.00 70.33 68.64 2hgu n THR 71 CO 0.00 0.00 0.00 -0.81 -0.57 0.00 0.00 175.07 173.69 2hgu n PRO 72 N 0.17 0.55 0.00 -0.78 -0.04 -1.26 -4.77 135.00 128.86 2hgu n PRO 72 Ca 0.00 -0.60 0.00 0.00 -0.04 0.00 0.00 63.50 62.86 2hgu n PRO 72 Cb 0.00 -3.27 0.00 0.00 -0.04 0.00 0.00 33.50 30.19 2hgu n PRO 72 CO 0.00 0.00 0.00 -2.30 -0.04 0.00 0.00 175.50 173.16 2hgu n PRO 73 N 8.42 0.00 0.00 0.54 -0.02 -1.26 -3.11 135.00 139.57 2hgu n PRO 73 Ca 0.49 0.00 0.00 0.00 -2.02 0.00 0.00 63.50 61.97 2hgu n PRO 73 Cb 0.40 0.00 0.00 0.00 -0.02 0.00 0.00 33.50 33.88 2hgu n PRO 73 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 2hgu n ALA 74 N 0.00 0.00 -0.14 3.55 0.00 -1.26 -1.20 120.51 121.46 2hgu n ALA 74 Ca 0.00 0.00 0.04 0.00 0.00 0.00 0.00 53.44 53.48 2hgu n ALA 74 Cb 0.00 0.00 0.09 0.00 0.00 0.00 0.00 19.45 19.54 2hgu n ALA 74 CO 0.00 0.00 0.00 0.43 0.00 0.00 0.00 177.50 177.93 2hgu n SER 75 N 0.00 -0.09 0.26 0.00 7.64 -1.26 -0.77 113.62 119.40 2hgu n SER 75 Ca 0.00 0.67 -0.15 0.00 1.01 0.00 0.00 58.87 60.40 2hgu n SER 75 Cb 0.00 -0.23 -0.08 0.00 -1.01 0.00 0.00 64.21 62.89 2hgu n SER 75 CO 0.00 0.00 0.00 1.88 -3.01 0.00 0.00 175.04 173.91 2hgu h TYR 76 N 0.00 -0.61 -0.04 1.43 -1.99 -1.77 -0.82 116.97 113.17 2hgu h TYR 76 Ca 0.22 -0.01 0.01 0.00 2.00 0.00 0.00 58.73 60.94 2hgu h TYR 76 Cb 0.40 0.20 -0.00 0.00 2.00 0.00 0.00 36.73 39.34 2hgu h TYR 76 CO -0.25 -0.30 0.04 -0.07 -0.00 0.00 0.00 178.16 177.58 2hgu h LEU 77 N -0.85 0.00 0.06 3.88 3.38 0.53 0.21 115.31 122.51 2hgu h LEU 77 Ca -0.07 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.90 2hgu h LEU 77 Cb 0.58 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 41.33 2hgu h LEU 77 CO 0.11 0.00 -0.10 0.40 0.09 0.00 0.00 178.44 178.94 2hgu h ILE 78 N 0.00 0.00 -0.83 1.22 2.04 -0.17 -0.13 117.51 119.64 2hgu h ILE 78 Ca 0.02 0.00 0.09 0.00 1.00 0.00 0.00 64.86 65.97 2hgu h ILE 78 Cb 0.09 0.00 -0.07 0.00 -0.74 0.00 0.00 36.82 36.09 2hgu h ILE 78 CO -0.00 0.00 0.47 0.03 0.00 0.00 0.00 178.15 178.65 2hgu h ARG 79 N -0.17 0.77 -0.37 2.37 3.08 -0.87 -0.72 114.38 118.47 2hgu h ARG 79 Ca -0.01 -0.05 0.03 0.00 0.07 0.00 0.00 59.98 60.03 2hgu h ARG 79 Cb 0.16 -0.17 -0.04 0.00 0.08 0.00 0.00 29.97 29.99 2hgu h ARG 79 CO -0.04 0.51 -0.22 1.63 -1.07 0.00 0.00 179.97 180.78 2hgu n LYS 80 N -4.74 -0.16 -0.18 0.04 4.01 0.03 0.49 118.16 117.65 2hgu n LYS 80 Ca 0.14 1.06 -0.09 0.00 -0.51 0.00 0.00 58.31 58.90 2hgu n LYS 80 Cb 0.28 -1.57 0.01 0.00 -0.51 0.00 0.00 35.03 33.23 2hgu n LYS 80 CO 0.00 0.00 0.00 0.00 -1.11 0.00 0.00 177.40 176.29 2hgu h ALA 81 N -0.31 0.68 -1.48 7.82 0.00 -0.90 -3.35 119.26 121.73 2hgu h ALA 81 Ca 0.06 -0.27 0.00 0.00 0.00 0.00 0.00 54.91 54.70 2hgu h ALA 81 Cb 0.15 -0.19 0.00 0.00 0.00 0.00 0.00 17.79 17.75 2hgu h ALA 81 CO -0.35 0.46 0.00 0.00 0.00 0.00 0.00 179.25 179.36 2hgu n ALA 82 N -2.43 0.00 0.00 0.00 0.00 0.18 -4.91 120.51 113.35 2hgu n ALA 82 Ca 0.01 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.45 2hgu n ALA 82 Cb 0.29 0.35 0.00 0.00 0.00 0.00 0.00 19.45 20.09 2hgu n ALA 82 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 2hgu n GLY 83 N -0.98 0.00 3.08 0.00 0.00 -0.12 -5.08 105.19 102.09 2hgu n GLY 83 Ca 0.00 0.00 -0.13 0.00 0.00 0.00 0.00 46.02 45.89 2hgu n GLY 83 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 2hgu s LEU 84 N 0.00 2.29 0.00 0.99 1.43 -1.26 -5.12 118.68 117.02 2hgu s LEU 84 Ca 0.00 -0.62 0.00 0.00 -1.03 0.00 0.00 54.13 52.48 2hgu s LEU 84 Cb 0.00 -0.17 0.00 0.00 0.03 0.00 0.00 46.19 46.05 2hgu s LEU 84 CO 0.00 -0.24 0.00 -0.62 0.23 0.00 0.00 176.35 175.72 2hgu n GLU 85 N 1.23 0.00 0.00 1.70 1.02 -1.26 -4.68 120.64 118.65 2hgu n GLU 85 Ca -0.21 0.00 0.00 0.00 -0.02 0.00 0.00 57.16 56.93 2hgu n GLU 85 Cb 0.55 0.00 0.00 0.00 -0.02 0.00 0.00 31.44 31.97 2hgu n GLU 85 CO 0.00 0.00 0.00 1.63 1.18 0.00 0.00 177.13 179.94 2hgu n LYS 86 N 0.00 3.13 -3.37 3.49 5.02 -1.26 -4.95 118.16 120.22 2hgu n LYS 86 Ca 0.00 0.00 -0.33 0.00 -2.02 0.00 0.00 58.31 55.96 2hgu n LYS 86 Cb 0.00 0.00 -0.06 0.00 -0.02 0.00 0.00 35.03 34.95 2hgu n LYS 86 CO 0.00 0.00 0.00 0.20 -0.52 0.00 0.00 177.40 177.08 2hgu s GLY 87 N 0.00 2.36 0.00 0.72 0.00 -1.26 -4.92 107.32 104.22 2hgu s GLY 87 Ca 0.00 -0.19 0.00 0.00 0.00 0.00 0.00 44.72 44.53 2hgu s GLY 87 CO 0.00 0.01 0.78 0.00 0.00 0.00 0.00 173.10 173.89 2hgu n ALA 88 N 0.24 2.46 0.00 3.20 0.00 -1.26 -4.77 120.51 120.38 2hgu n ALA 88 Ca -0.02 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.42 2hgu n ALA 88 Cb 0.52 -1.55 0.00 0.00 0.00 0.00 0.00 19.45 18.42 2hgu n ALA 88 CO 0.00 0.00 0.00 0.72 0.00 0.00 0.00 177.50 178.22 2hgu n HIS 89 N 1.72 0.00 -3.66 0.00 8.25 -1.26 -4.59 115.22 115.68 2hgu n HIS 89 Ca 0.00 0.00 -0.08 0.00 -0.26 0.00 0.00 57.72 57.38 2hgu n HIS 89 Cb 0.20 0.00 -0.08 0.00 1.12 0.00 0.00 29.99 31.23 2hgu n HIS 89 CO 0.00 0.00 0.00 0.15 0.64 0.00 0.00 176.34 177.13 2hgu s LYS 90 N 0.00 0.47 -0.16 -0.41 -0.14 -1.26 -5.16 119.74 113.08 2hgu s LYS 90 Ca 0.00 1.07 -0.10 0.00 -1.36 0.00 0.00 55.97 55.57 2hgu s LYS 90 Cb 0.00 0.26 -0.05 0.00 -1.68 0.00 0.00 37.83 36.36 2hgu s LYS 90 CO 0.00 -0.19 0.18 -1.25 -0.76 0.00 0.00 175.35 173.33 2hgu s PRO 91 N 2.05 4.01 0.00 -1.68 0.04 -1.20 -4.27 135.00 133.95 2hgu s PRO 91 Ca -0.07 -0.10 0.00 0.00 0.04 0.00 0.00 61.00 60.87 2hgu s PRO 91 Cb -0.09 -3.36 0.00 0.00 0.04 0.00 0.00 34.50 31.09 2hgu s PRO 91 CO -0.15 0.42 0.00 0.41 0.04 0.00 0.00 177.00 177.72 2hgu n GLY 92 N 3.04 2.10 0.00 0.56 0.00 -1.26 -4.51 105.19 105.12 2hgu n GLY 92 Ca -0.16 -0.24 0.01 0.00 0.00 0.00 0.00 46.02 45.63 2hgu n GLY 92 CO 0.00 0.00 0.00 -2.13 0.00 0.00 0.00 173.32 171.19 2hgu n ARG 93 N 0.00 0.47 0.00 1.61 0.63 -1.26 -1.96 116.66 116.15 2hgu n ARG 93 Ca 0.00 0.00 0.00 0.00 -0.92 0.00 0.00 57.85 56.93 2hgu n ARG 93 Cb 0.00 -1.06 0.00 0.00 0.45 0.00 0.00 32.46 31.85 2hgu n ARG 93 CO 0.00 0.00 0.00 -1.91 -2.51 0.00 0.00 177.63 173.21 2hgu n GLU 94 N -0.56 2.02 -1.96 -0.14 2.13 -1.26 -5.04 120.64 115.83 2hgu n GLU 94 Ca 0.01 0.00 0.00 0.00 0.66 0.00 0.00 57.16 57.83 2hgu n GLU 94 Cb 0.01 -0.82 0.00 0.00 0.27 0.00 0.00 31.44 30.90 2hgu n GLU 94 CO 0.00 0.00 0.00 1.63 -0.41 0.00 0.00 177.13 178.35 2hgu n LYS 95 N -1.02 -0.43 0.00 5.31 5.02 -0.83 -4.70 118.16 121.51 2hgu n LYS 95 Ca 0.00 -0.21 0.00 0.00 -2.02 0.00 0.00 58.31 56.08 2hgu n LYS 95 Cb 0.00 0.38 0.00 0.00 -0.02 0.00 0.00 35.03 35.39 2hgu n LYS 95 CO 0.00 0.00 0.00 1.33 -0.52 0.00 0.00 177.40 178.21 2hgu n VAL 96 N -0.47 0.00 -3.68 -0.18 0.24 -1.26 -4.97 118.33 108.01 2hgu n VAL 96 Ca 0.00 -0.15 -0.38 0.00 -2.04 0.00 0.00 64.34 61.78 2hgu n VAL 96 Cb 0.00 0.63 -0.12 0.00 -1.47 0.00 0.00 33.84 32.88 2hgu n VAL 96 CO 0.00 0.00 0.00 -0.83 -2.14 0.00 0.00 176.83 173.86 2hgu s GLY 97 N -1.04 1.84 -0.01 7.63 0.00 -0.62 -5.06 107.32 110.06 2hgu s GLY 97 Ca 0.00 -1.20 0.01 0.00 0.00 0.00 0.00 44.72 43.53 2hgu s GLY 97 CO 0.00 0.61 -0.03 0.50 0.00 0.00 0.00 173.10 174.19 2hgu s ARG 98 N 1.65 0.27 0.00 2.90 0.52 -1.26 -0.68 118.95 122.35 2hgu s ARG 98 Ca 0.06 -0.08 0.00 0.00 -0.52 0.00 0.00 55.73 55.19 2hgu s ARG 98 Cb -0.16 -0.29 0.00 0.00 0.52 0.00 0.00 34.95 35.02 2hgu s ARG 98 CO 0.06 0.03 0.00 -0.89 0.02 0.00 0.00 175.30 174.52 2hgu n ILE 99 N 3.21 0.00 -4.23 1.52 5.41 -0.40 -4.82 119.36 120.05 2hgu n ILE 99 Ca -0.15 0.00 -0.18 0.00 1.00 0.00 0.00 62.75 63.42 2hgu n ILE 99 Cb 0.57 -0.01 -0.11 0.00 -0.71 0.00 0.00 39.64 39.38 2hgu n ILE 99 CO 0.00 0.00 0.00 0.42 0.00 0.00 0.00 176.55 176.97 2hgu s THR 100 N -0.77 1.26 0.00 1.39 -4.23 -1.26 -1.20 115.64 110.83 2hgu s THR 100 Ca 0.00 -1.67 0.00 0.00 -1.18 0.00 0.00 61.69 58.84 2hgu s THR 100 Cb 0.00 -1.47 0.00 0.00 1.34 0.00 0.00 72.50 72.37 2hgu s THR 100 CO 0.00 -0.41 0.41 0.79 -0.54 0.00 0.00 174.62 174.87 2hgu n TRP 101 N 0.61 0.00 0.00 3.99 7.02 -1.26 -1.08 117.44 126.72 2hgu n TRP 101 Ca -0.16 0.00 0.00 0.00 -1.02 0.00 0.00 57.50 56.32 2hgu n TRP 101 Cb 0.57 -0.07 0.00 0.00 -2.42 0.00 0.00 31.31 29.38 2hgu n TRP 101 CO 0.00 0.00 0.00 0.39 -2.02 0.00 0.00 177.69 176.06 2hgu n GLU 102 N -1.24 0.00 -0.33 -0.99 1.02 -1.26 -0.96 120.64 116.89 2hgu n GLU 102 Ca 0.00 0.23 0.30 0.00 -0.02 0.00 0.00 57.16 57.67 2hgu n GLU 102 Cb 0.00 -1.14 0.53 0.00 -0.02 0.00 0.00 31.44 30.81 2hgu n GLU 102 CO 0.00 0.00 0.00 0.94 1.18 0.00 0.00 177.13 179.25 2hgu n GLN 103 N -1.03 -0.04 0.00 3.49 0.00 -1.25 -0.65 117.38 117.89 2hgu n GLN 103 Ca 0.00 1.10 0.00 0.00 -0.00 0.00 0.00 57.00 58.10 2hgu n GLN 103 Cb 0.00 -2.06 0.00 0.00 0.00 0.00 0.00 30.24 28.18 2hgu n GLN 103 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 177.06 177.34 2hgu n VAL 104 N -4.65 0.00 -0.37 1.69 0.31 -0.24 -1.08 118.33 113.99 2hgu n VAL 104 Ca 0.33 1.26 0.29 0.00 -0.01 0.00 0.00 64.34 66.20 2hgu n VAL 104 Cb 1.18 -2.25 0.55 0.00 -0.91 0.00 0.00 33.84 32.41 2hgu n VAL 104 CO 0.00 0.00 0.00 -0.07 -1.32 0.00 0.00 176.83 175.44 2hgu h LEU 105 N 0.00 0.40 0.54 7.52 3.38 0.95 0.19 115.31 128.29 2hgu h LEU 105 Ca 0.00 0.16 -0.03 0.00 0.09 0.00 0.00 57.88 58.11 2hgu h LEU 105 Cb 0.00 0.13 0.01 0.00 0.09 0.00 0.00 40.66 40.88 2hgu h LEU 105 CO 0.00 -0.14 -0.26 1.05 0.09 0.00 0.00 178.44 179.18 2hgu h GLU 106 N 0.23 -0.70 -1.23 1.13 4.11 -1.08 -0.23 114.58 116.81 2hgu h GLU 106 Ca 0.75 0.05 0.37 0.00 0.07 0.00 0.00 59.36 60.60 2hgu h GLU 106 Cb 2.00 0.16 -0.11 0.00 0.50 0.00 0.00 28.75 31.30 2hgu h GLU 106 CO -0.51 -0.47 0.80 0.82 0.07 0.00 0.00 179.01 179.73 2hgu h ILE 107 N -0.89 0.28 0.00 -1.06 2.04 0.60 0.78 117.51 119.26 2hgu h ILE 107 Ca -0.07 -0.06 0.00 0.00 1.00 0.00 0.00 64.86 65.72 2hgu h ILE 107 Cb 0.56 0.08 0.00 0.00 -0.74 0.00 0.00 36.82 36.71 2hgu h ILE 107 CO 0.12 0.03 0.00 0.00 0.00 0.00 0.00 178.15 178.31 2hgu n ALA 108 N -2.53 -0.35 -0.25 1.87 0.00 -0.16 -1.12 120.51 117.96 2hgu n ALA 108 Ca 0.32 0.00 -0.00 0.00 0.00 0.00 0.00 53.44 53.76 2hgu n ALA 108 Cb 1.24 0.12 0.03 0.00 0.00 0.00 0.00 19.45 20.83 2hgu n ALA 108 CO 0.00 0.00 0.00 1.63 0.00 0.00 0.00 177.50 179.13 2hgu n LYS 109 N -2.13 -0.15 0.23 0.00 5.02 0.26 -0.90 118.16 120.49 2hgu n LYS 109 Ca 0.00 1.01 -0.16 0.00 -2.02 0.00 0.00 58.31 57.14 2hgu n LYS 109 Cb 0.00 -1.50 -0.08 0.00 -0.02 0.00 0.00 35.03 33.44 2hgu n LYS 109 CO 0.00 0.00 0.00 0.37 -0.52 0.00 0.00 177.40 177.25 2hgu h GLN 110 N 0.00 -0.74 0.00 1.97 4.15 -0.68 -2.61 115.11 117.20 2hgu h GLN 110 Ca 0.23 0.05 0.00 0.00 0.77 0.00 0.00 58.65 59.70 2hgu h GLN 110 Cb 0.40 0.17 0.00 0.00 0.21 0.00 0.00 27.48 28.25 2hgu h GLN 110 CO -0.65 -0.49 0.00 -0.22 -1.93 0.00 0.00 178.83 175.54 2hgu h LYS 111 N -0.76 0.00 -0.15 1.69 3.64 0.50 -3.38 116.57 118.11 2hgu h LYS 111 Ca -0.03 0.00 0.04 0.00 -1.27 0.00 0.00 60.65 59.40 2hgu h LYS 111 Cb 0.69 0.00 -0.01 0.00 -0.41 0.00 0.00 32.23 32.50 2hgu h LYS 111 CO -0.07 0.00 0.24 -1.33 -2.27 0.00 0.00 179.45 176.02 2hgu n MET 112 N -2.93 0.00 0.00 1.90 2.81 -0.08 -4.21 117.12 114.62 2hgu n MET 112 Ca 0.00 0.20 0.00 0.00 -1.81 0.00 0.00 57.70 56.10 2hgu n MET 112 Cb 0.26 -0.52 0.00 0.00 -0.71 0.00 0.00 33.22 32.25 2hgu n MET 112 CO 0.00 0.00 0.00 -2.30 1.51 0.00 0.00 175.97 175.18 2hgu n PRO 113 N -1.44 0.00 -0.01 0.03 -0.02 -1.26 -2.21 135.00 130.09 2hgu n PRO 113 Ca 0.03 0.00 0.00 0.00 -2.02 0.00 0.00 63.50 61.51 2hgu n PRO 113 Cb 0.28 -0.08 0.00 0.00 -0.02 0.00 0.00 33.50 33.68 2hgu n PRO 113 CO 0.00 0.00 0.00 -3.47 1.98 0.00 0.00 175.50 174.01 2hgu n ASP 114 N 0.00 0.00 -4.22 2.55 2.03 -1.26 -4.73 116.55 110.91 2hgu n ASP 114 Ca 0.00 -1.67 -0.34 0.00 0.52 0.00 0.00 54.79 53.30 2hgu n ASP 114 Cb 0.00 -0.21 -0.14 0.00 -0.72 0.00 0.00 41.12 40.04 2hgu n ASP 114 CO 0.00 0.00 0.00 -0.22 -1.92 0.00 0.00 177.20 175.06 2hgu s LEU 115 N 0.00 2.95 -0.06 -2.67 1.98 -0.94 -4.83 118.68 115.12 2hgu s LEU 115 Ca 0.00 -0.70 -0.37 0.00 -2.89 0.00 0.00 54.13 50.18 2hgu s LEU 115 Cb 0.00 -1.66 -0.18 0.00 0.66 0.00 0.00 46.19 45.01 2hgu s LEU 115 CO 0.00 -0.08 1.02 -0.46 -1.89 0.00 0.00 176.35 174.95 2hgu n ASN 116 N 4.70 0.13 0.00 3.68 0.23 -1.26 -3.97 115.26 118.77 2hgu n ASN 116 Ca -0.18 1.05 0.00 0.00 -0.53 0.00 0.00 54.58 54.92 2hgu n ASN 116 Cb 0.49 -0.82 0.00 0.00 -2.08 0.00 0.00 39.78 37.36 2hgu n ASN 116 CO 0.00 0.00 0.00 0.41 -0.93 0.00 0.00 177.26 176.74 2hgu n THR 117 N 1.64 0.00 0.00 5.53 -1.04 -1.26 -4.73 114.28 114.41 2hgu n THR 117 Ca 0.19 0.00 0.00 0.00 -2.04 0.00 0.00 64.05 62.20 2hgu n THR 117 Cb 0.06 0.00 0.00 0.00 -1.82 0.00 0.00 70.33 68.57 2hgu n THR 117 CO 0.00 0.00 0.00 0.35 -0.64 0.00 0.00 175.07 174.78 2hgu n THR 118 N 0.00 0.00 -3.64 12.58 -2.24 -1.25 -5.13 114.28 114.59 2hgu n THR 118 Ca 0.00 0.00 -0.05 0.00 -2.27 0.00 0.00 64.05 61.73 2hgu n THR 118 Cb 0.00 0.00 -0.07 0.00 -2.10 0.00 0.00 70.33 68.16 2hgu n THR 118 CO 0.00 0.00 0.00 -0.62 -0.57 0.00 0.00 175.07 173.88 2hgu s ASP 119 N 0.00 -0.42 0.08 3.42 2.15 -1.26 -5.02 116.67 115.63 2hgu s ASP 119 Ca 0.00 0.74 -0.32 0.00 0.43 0.00 0.00 52.55 53.40 2hgu s ASP 119 Cb 0.00 0.93 -0.15 0.00 -0.30 0.00 0.00 42.92 43.40 2hgu s ASP 119 CO 0.00 -0.12 1.51 -0.07 -0.17 0.00 0.00 175.17 176.31 2hgu h LEU 120 N 4.85 -1.31 -1.24 -1.34 3.38 -2.00 -0.64 115.31 117.02 2hgu h LEU 120 Ca -0.28 0.11 0.03 0.00 0.09 0.00 0.00 57.88 57.83 2hgu h LEU 120 Cb 1.18 0.44 -0.04 0.00 0.09 0.00 0.00 40.66 42.33 2hgu h LEU 120 CO 0.15 -0.59 0.52 -0.33 0.09 0.00 0.00 178.44 178.28 2hgu h GLU 121 N -0.88 0.97 0.66 1.13 5.08 -1.98 -1.31 114.58 118.26 2hgu h GLU 121 Ca -0.05 -0.06 -0.03 0.00 -1.00 0.00 0.00 59.36 58.23 2hgu h GLU 121 Cb 0.78 -0.22 -0.01 0.00 0.50 0.00 0.00 28.75 29.80 2hgu h GLU 121 CO -0.10 0.64 -0.44 0.00 -1.00 0.00 0.00 179.01 178.11 2hgu h ALA 122 N 1.53 -1.10 -0.32 3.43 0.00 -1.83 -0.01 119.26 120.96 2hgu h ALA 122 Ca 0.31 -0.21 -0.00 0.00 0.00 0.00 0.00 54.91 55.00 2hgu h ALA 122 Cb -0.01 0.57 -0.02 0.00 0.00 0.00 0.00 17.79 18.33 2hgu h ALA 122 CO -0.08 -1.14 0.19 0.00 0.00 0.00 0.00 179.25 178.22 2hgu h ALA 123 N -0.86 0.41 -0.21 0.00 0.00 -0.99 -0.40 119.26 117.21 2hgu h ALA 123 Ca -0.08 -0.06 0.06 0.00 0.00 0.00 0.00 54.91 54.83 2hgu h ALA 123 Cb 0.86 -0.13 -0.07 0.00 0.00 0.00 0.00 17.79 18.45 2hgu h ALA 123 CO 0.06 -0.08 -0.31 0.00 0.00 0.00 0.00 179.25 178.92 2hgu h ALA 124 N 1.07 -0.28 -0.55 0.00 0.00 -1.13 -0.56 119.26 117.80 2hgu h ALA 124 Ca 0.12 0.05 0.08 0.00 0.00 0.00 0.00 54.91 55.15 2hgu h ALA 124 Cb 0.02 0.61 -0.06 0.00 0.00 0.00 0.00 17.79 18.36 2hgu h ALA 124 CO -0.02 -0.76 0.21 0.00 0.00 0.00 0.00 179.25 178.68 2hgu h ARG 125 N -0.33 0.38 -0.59 0.00 3.08 -0.77 0.83 114.38 116.98 2hgu h ARG 125 Ca 0.12 -0.02 0.11 0.00 0.07 0.00 0.00 59.98 60.26 2hgu h ARG 125 Cb 0.53 -0.09 -0.08 0.00 0.08 0.00 0.00 29.97 30.41 2hgu h ARG 125 CO -0.40 0.25 0.13 0.52 -1.07 0.00 0.00 179.97 179.40 2hgu h MET 126 N 0.40 0.25 0.44 0.04 2.86 -0.27 -0.12 114.93 118.52 2hgu h MET 126 Ca 0.27 -0.02 -0.01 0.00 -2.06 0.00 0.00 59.70 57.88 2hgu h MET 126 Cb 0.29 -0.06 -0.02 0.00 0.06 0.00 0.00 31.60 31.88 2hgu h MET 126 CO -0.26 0.17 -0.43 0.82 1.06 0.00 0.00 176.91 178.26 2hgu h ILE 127 N 0.26 0.00 -0.46 -1.22 2.04 0.66 -0.52 117.51 118.28 2hgu h ILE 127 Ca 0.31 0.00 0.09 0.00 1.00 0.00 0.00 64.86 66.26 2hgu h ILE 127 Cb 0.46 0.00 -0.10 0.00 -0.74 0.00 0.00 36.82 36.44 2hgu h ILE 127 CO -0.40 0.00 -0.23 0.00 0.00 0.00 0.00 178.15 177.52 2hgu h ALA 128 N -1.04 0.08 0.46 1.87 0.00 -0.81 -0.35 119.26 119.47 2hgu h ALA 128 Ca -0.06 0.15 -0.02 0.00 0.00 0.00 0.00 54.91 54.99 2hgu h ALA 128 Cb 0.75 0.56 -0.00 0.00 0.00 0.00 0.00 17.79 19.09 2hgu h ALA 128 CO -0.05 -0.59 -0.30 0.78 0.00 0.00 0.00 179.25 179.09 2hgu h GLY 129 N -0.14 -0.96 1.38 0.00 0.00 -0.86 -0.65 103.07 101.83 2hgu h GLY 129 Ca 0.21 0.40 -0.06 0.00 0.00 0.00 0.00 47.33 47.88 2hgu h GLY 129 CO -0.54 -0.32 0.05 1.48 0.00 0.00 0.00 176.54 177.21 2hgu h SER 130 N -0.72 0.73 -0.31 0.19 4.64 -1.09 -0.04 113.55 116.94 2hgu h SER 130 Ca -0.06 -0.15 0.07 0.00 -0.47 0.00 0.00 61.79 61.18 2hgu h SER 130 Cb 0.59 -0.19 -0.07 0.00 -0.31 0.00 0.00 62.40 62.41 2hgu h SER 130 CO 0.05 0.76 -0.19 0.00 -0.87 0.00 0.00 176.83 176.58 2hgu h ALA 131 N 1.33 0.02 0.03 5.18 0.00 -1.03 0.28 119.26 125.07 2hgu h ALA 131 Ca 0.15 0.11 0.03 0.00 0.00 0.00 0.00 54.91 55.20 2hgu h ALA 131 Cb 0.37 0.43 -0.05 0.00 0.00 0.00 0.00 17.79 18.54 2hgu h ALA 131 CO 0.01 -0.59 -0.43 0.00 0.00 0.00 0.00 179.25 178.24 2hgu h ARG 132 N -0.15 -0.59 -0.59 0.00 3.08 0.36 0.37 114.38 116.86 2hgu h ARG 132 Ca 0.16 0.04 0.22 0.00 0.07 0.00 0.00 59.98 60.48 2hgu h ARG 132 Cb 0.40 0.13 -0.11 0.00 0.08 0.00 0.00 29.97 30.48 2hgu h ARG 132 CO -0.40 -0.39 0.23 0.45 -1.07 0.00 0.00 179.97 178.79 2hgu n SER 133 N -5.46 0.13 0.02 7.04 2.88 0.84 -0.46 113.62 118.62 2hgu n SER 133 Ca -0.06 0.99 -0.02 0.00 -1.33 0.00 0.00 58.87 58.45 2hgu n SER 133 Cb 0.38 -0.45 -0.01 0.00 -0.75 0.00 0.00 64.21 63.38 2hgu n SER 133 CO 0.00 0.00 0.00 -0.03 -1.23 0.00 0.00 175.04 173.78 2hgu h MET 134 N 0.00 -0.11 0.00 -1.46 1.85 0.52 -3.43 114.93 112.29 2hgu h MET 134 Ca 0.46 0.01 0.00 0.00 -0.61 0.00 0.00 59.70 59.56 2hgu h MET 134 Cb 1.17 0.03 0.00 0.00 0.43 0.00 0.00 31.60 33.22 2hgu h MET 134 CO -0.48 -0.07 0.00 0.41 -0.40 0.00 0.00 176.91 176.36 2hgu n GLY 135 N 1.41 -0.06 3.26 1.39 0.00 0.39 -3.22 105.19 108.37 2hgu n GLY 135 Ca -0.01 0.00 -0.44 0.00 0.00 0.00 0.00 46.02 45.57 2hgu n GLY 135 CO 0.00 0.00 0.00 -0.62 0.00 0.00 0.00 173.32 172.70 2hgu n VAL 136 N 0.00 4.41 -3.53 1.61 0.31 0.11 -1.59 118.33 119.65 2hgu n VAL 136 Ca 0.00 -4.84 -0.29 0.00 -0.01 0.00 0.00 64.34 59.20 2hgu n VAL 136 Cb 0.00 -2.43 -0.04 0.00 -0.91 0.00 0.00 33.84 30.47 2hgu n VAL 136 CO 0.00 0.00 0.00 -1.61 -1.32 0.00 0.00 176.83 173.90 2hgu s GLU 137 N 0.49 3.61 -0.44 5.55 2.02 0.15 0.19 118.70 130.27 2hgu s GLU 137 Ca 0.39 -0.09 -0.29 0.00 0.02 0.00 0.00 54.97 55.01 2hgu s GLU 137 Cb -0.00 -2.75 0.01 0.00 0.10 0.00 0.00 34.13 31.49 2hgu s GLU 137 CO -0.00 0.34 1.39 0.14 0.02 0.00 0.00 175.26 177.14 2hgu s VAL 138 N -1.89 3.92 0.00 2.63 -7.23 -1.26 -1.28 120.40 115.28 2hgu s VAL 138 Ca 0.42 0.92 0.00 0.00 -1.81 0.00 0.00 61.98 61.51 2hgu s VAL 138 Cb -0.11 -4.27 0.00 0.00 0.56 0.00 0.00 36.38 32.56 2hgu s VAL 138 CO 0.27 -0.83 0.00 0.52 -0.31 0.00 0.00 175.10 174.75