#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1hac n LEU 2 N 0.00 -1.33 -4.64 7.52 7.99 -1.26 -5.09 117.00 120.18 1hac n LEU 2 Ca 0.00 0.00 -0.29 0.00 -0.01 0.00 0.00 56.01 55.71 1hac n LEU 2 Cb 0.00 -0.43 0.20 0.00 -0.11 0.00 0.00 43.42 43.08 1hac n LEU 2 CO 0.00 0.00 0.64 -0.94 -1.51 0.00 0.00 177.39 175.58 1hac s SER 3 N -2.46 1.87 0.06 -1.43 1.04 -1.26 -4.75 113.70 106.76 1hac s SER 3 Ca 0.00 0.92 -0.20 0.00 0.48 0.00 0.00 55.95 57.16 1hac s SER 3 Cb 0.00 -1.41 -0.12 0.00 0.10 0.00 0.00 66.02 64.59 1hac s SER 3 CO 0.00 -3.57 1.42 -0.65 0.98 0.00 0.00 173.24 171.42 1hac h PRO 4 N -2.20 0.39 -1.14 4.02 0.11 -1.98 0.11 132.00 131.31 1hac h PRO 4 Ca -0.51 -0.17 0.32 0.00 0.11 0.00 0.00 66.00 65.76 1hac h PRO 4 Cb 1.32 -0.01 -0.09 0.00 0.11 0.00 0.00 31.00 32.33 1hac h PRO 4 CO 0.48 0.68 0.76 0.00 -0.21 0.00 0.00 178.00 179.71 1hac h ALA 5 N 0.70 2.56 0.01 -0.75 0.00 -1.98 2.44 119.26 122.23 1hac h ALA 5 Ca 0.04 0.05 -0.19 0.00 0.00 0.00 0.00 54.91 54.80 1hac h ALA 5 Cb 0.56 0.08 0.02 0.00 0.00 0.00 0.00 17.79 18.45 1hac h ALA 5 CO 0.03 -0.99 -0.76 -0.44 0.00 0.00 0.00 179.25 177.08 1hac h ASP 6 N 0.24 0.66 1.61 0.00 3.32 -1.76 -2.53 116.42 117.96 1hac h ASP 6 Ca 0.64 -0.76 0.00 0.00 0.02 0.00 0.00 57.03 56.92 1hac h ASP 6 Cb 1.92 -0.20 0.00 0.00 0.22 0.00 0.00 39.33 41.27 1hac h ASP 6 CO -0.25 1.33 0.00 0.11 -1.72 0.00 0.00 179.24 178.71 1hac h LYS 7 N 0.05 0.00 0.21 3.56 1.57 0.35 -2.59 116.57 119.72 1hac h LYS 7 Ca -0.10 0.00 -0.31 0.00 -1.87 0.00 0.00 60.65 58.37 1hac h LYS 7 Cb 1.45 0.00 0.03 0.00 0.08 0.00 0.00 32.23 33.79 1hac h LYS 7 CO 0.15 0.00 -1.43 1.15 -0.57 0.00 0.00 179.45 178.74 1hac h THR 8 N 0.00 1.22 0.03 -0.16 2.02 0.36 -3.16 112.91 113.22 1hac h THR 8 Ca 0.00 -2.61 -0.28 0.00 0.77 0.00 0.00 66.41 64.29 1hac h THR 8 Cb 0.80 2.99 0.02 0.00 -1.74 0.00 0.00 68.15 70.22 1hac h THR 8 CO 0.00 0.80 -1.10 0.78 0.37 0.00 0.00 175.52 176.37 1hac h ASN 9 N 0.02 0.91 0.09 4.18 -0.26 -1.50 -2.33 115.58 116.69 1hac h ASN 9 Ca -0.26 -0.76 0.02 0.00 -0.56 0.00 0.00 56.30 54.74 1hac h ASN 9 Cb 2.04 -0.28 -0.04 0.00 -1.06 0.00 0.00 38.32 38.99 1hac h ASN 9 CO 0.22 1.56 -0.26 0.58 -1.06 0.00 0.00 177.43 178.47 1hac h VAL 10 N 0.37 0.42 -0.33 2.81 2.07 -1.62 -0.49 116.25 119.49 1hac h VAL 10 Ca -0.15 0.00 0.06 0.00 0.82 0.00 0.00 66.70 67.43 1hac h VAL 10 Cb 1.76 0.42 -0.08 0.00 -1.52 0.00 0.00 31.29 31.87 1hac h VAL 10 CO 0.22 0.00 -0.43 0.11 0.02 0.00 0.00 177.57 177.48 1hac h LYS 11 N -0.45 -0.37 0.39 1.57 1.57 -1.59 0.12 116.57 117.82 1hac h LYS 11 Ca 0.04 0.02 -0.00 0.00 -1.87 0.00 0.00 60.65 58.84 1hac h LYS 11 Cb 0.49 0.08 -0.02 0.00 0.08 0.00 0.00 32.23 32.86 1hac h LYS 11 CO -0.17 -0.24 -0.40 0.00 -0.57 0.00 0.00 179.45 178.07 1hac h ALA 12 N 0.30 -0.86 -0.37 3.86 0.00 -1.06 2.04 119.26 123.18 1hac h ALA 12 Ca 0.12 -0.14 0.07 0.00 0.00 0.00 0.00 54.91 54.95 1hac h ALA 12 Cb 0.60 0.57 -0.09 0.00 0.00 0.00 0.00 17.79 18.87 1hac h ALA 12 CO -0.53 -1.02 -0.43 0.00 0.00 0.00 0.00 179.25 177.27 1hac h ALA 13 N -0.43 -0.46 0.00 0.00 0.00 -0.73 1.13 119.26 118.77 1hac h ALA 13 Ca -0.03 0.05 -0.05 0.00 0.00 0.00 0.00 54.91 54.88 1hac h ALA 13 Cb 0.72 0.88 -0.01 0.00 0.00 0.00 0.00 17.79 19.39 1hac h ALA 13 CO -0.07 -0.88 -0.25 2.35 0.00 0.00 0.00 179.25 180.40 1hac h TRP 14 N -0.35 0.00 0.08 0.00 2.91 -0.54 -2.37 115.95 115.67 1hac h TRP 14 Ca 0.13 0.00 0.02 0.00 1.13 0.00 0.00 58.89 60.16 1hac h TRP 14 Cb 0.59 0.00 -0.03 0.00 -0.51 0.00 0.00 29.16 29.21 1hac h TRP 14 CO -0.61 0.25 -0.20 0.78 -1.03 0.00 0.00 178.44 177.64 1hac h GLY 15 N 0.87 -0.34 0.37 2.65 0.00 1.09 0.58 103.07 108.29 1hac h GLY 15 Ca -0.00 0.23 0.00 0.00 0.00 0.00 0.00 47.33 47.56 1hac h GLY 15 CO 0.03 -0.18 0.00 0.28 0.00 0.00 0.00 176.54 176.67 1hac n LYS 16 N -5.33 0.80 -0.10 4.80 4.76 0.29 -3.69 118.16 119.70 1hac n LYS 16 Ca -0.06 0.00 -0.19 0.00 -2.87 0.00 0.00 58.31 55.19 1hac n LYS 16 Cb 0.24 -1.18 -0.10 0.00 -1.84 0.00 0.00 35.03 32.14 1hac n LYS 16 CO 0.00 0.00 0.00 0.28 -1.37 0.00 0.00 177.40 176.31 1hac h VAL 17 N 0.00 0.91 0.00 -0.18 2.07 -0.37 -3.50 116.25 115.19 1hac h VAL 17 Ca 0.00 -2.05 0.00 0.00 0.82 0.00 0.00 66.70 65.47 1hac h VAL 17 Cb 0.00 2.09 0.00 0.00 -1.52 0.00 0.00 31.29 31.86 1hac h VAL 17 CO 0.00 0.31 0.00 0.61 0.02 0.00 0.00 177.57 178.51 1hac n GLY 18 N 1.48 2.96 0.26 2.17 0.00 -1.16 -2.99 105.19 107.92 1hac n GLY 18 Ca -0.26 -0.37 0.15 0.00 0.00 0.00 0.00 46.02 45.54 1hac n GLY 18 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1hac h ALA 19 N -0.97 1.00 0.00 4.61 0.00 -1.95 -2.42 119.26 119.54 1hac h ALA 19 Ca 0.00 -0.05 0.00 0.00 0.00 0.00 0.00 54.91 54.86 1hac h ALA 19 Cb 0.00 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 17.78 1hac h ALA 19 CO 0.00 0.07 0.00 0.72 0.00 0.00 0.00 179.25 180.04 1hac n HIS 20 N -3.17 0.07 -0.24 0.00 -0.00 -1.16 -3.06 115.22 107.67 1hac n HIS 20 Ca 0.01 0.03 -0.07 0.00 -0.00 0.00 0.00 57.72 57.69 1hac n HIS 20 Cb 0.36 -0.55 -0.03 0.00 -0.00 0.00 0.00 29.99 29.78 1hac n HIS 20 CO 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 176.34 176.34 1hac h ALA 21 N 2.31 -0.25 -0.53 -1.41 0.00 -1.54 1.12 119.26 118.95 1hac h ALA 21 Ca 0.00 0.14 0.09 0.00 0.00 0.00 0.00 54.91 55.13 1hac h ALA 21 Cb 0.17 0.97 -0.07 0.00 0.00 0.00 0.00 17.79 18.86 1hac h ALA 21 CO 0.00 -0.80 0.15 0.78 0.00 0.00 0.00 179.25 179.38 1hac h GLY 22 N -0.18 0.69 1.60 0.00 0.00 -1.77 0.69 103.07 104.10 1hac h GLY 22 Ca 0.20 -0.06 -0.12 0.00 0.00 0.00 0.00 47.33 47.35 1hac h GLY 22 CO -0.74 -0.05 -0.40 1.05 0.00 0.00 0.00 176.54 176.40 1hac h GLU 23 N 0.30 0.44 -0.30 4.80 4.11 -1.45 0.10 114.58 122.59 1hac h GLU 23 Ca 0.27 -0.22 -0.04 0.00 0.07 0.00 0.00 59.36 59.44 1hac h GLU 23 Cb 0.34 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 29.58 1hac h GLU 23 CO -0.31 0.77 0.03 1.88 0.07 0.00 0.00 179.01 181.45 1hac h TYR 24 N 0.37 0.55 -1.00 2.06 0.05 0.36 0.12 116.97 119.48 1hac h TYR 24 Ca 0.03 -0.09 0.03 0.00 0.05 0.00 0.00 58.73 58.75 1hac h TYR 24 Cb 0.87 -0.15 -0.05 0.00 1.01 0.00 0.00 36.73 38.40 1hac h TYR 24 CO 0.03 0.62 0.66 0.78 -1.05 0.00 0.00 178.16 179.20 1hac h GLY 25 N 0.33 1.45 1.26 3.88 0.00 0.51 0.82 103.07 111.31 1hac h GLY 25 Ca 0.09 -0.51 -0.09 0.00 0.00 0.00 0.00 47.33 46.82 1hac h GLY 25 CO 0.01 0.46 -0.02 0.00 0.00 0.00 0.00 176.54 176.99 1hac h ALA 26 N 1.39 0.99 -0.19 3.60 0.00 -0.57 -2.31 119.26 122.17 1hac h ALA 26 Ca 0.39 -0.29 -0.06 0.00 0.00 0.00 0.00 54.91 54.95 1hac h ALA 26 Cb -0.06 -0.20 -0.01 0.00 0.00 0.00 0.00 17.79 17.51 1hac h ALA 26 CO -0.11 0.61 -0.14 1.49 0.00 0.00 0.00 179.25 181.11 1hac h GLU 27 N 0.82 0.31 -0.09 0.00 4.81 0.12 -2.03 114.58 118.52 1hac h GLU 27 Ca 0.15 -0.08 -0.06 0.00 -0.13 0.00 0.00 59.36 59.24 1hac h GLU 27 Cb 0.52 -0.04 0.00 0.00 0.63 0.00 0.00 28.75 29.86 1hac h GLU 27 CO 0.03 0.46 -0.18 0.00 -0.73 0.00 0.00 179.01 178.59 1hac h ALA 28 N 1.57 0.14 -0.38 2.92 0.00 -0.94 -1.40 119.26 121.17 1hac h ALA 28 Ca 0.06 -0.36 0.08 0.00 0.00 0.00 0.00 54.91 54.69 1hac h ALA 28 Cb 0.43 -0.02 -0.08 0.00 0.00 0.00 0.00 17.79 18.11 1hac h ALA 28 CO 0.03 0.07 -0.18 -0.07 0.00 0.00 0.00 179.25 179.09 1hac h LEU 29 N -0.18 -0.62 -1.64 0.00 3.38 -1.03 0.42 115.31 115.65 1hac h LEU 29 Ca 0.00 0.14 0.09 0.00 0.09 0.00 0.00 57.88 58.21 1hac h LEU 29 Cb 0.76 0.34 -0.03 0.00 0.09 0.00 0.00 40.66 41.81 1hac h LEU 29 CO 0.04 -0.21 0.39 -0.08 0.09 0.00 0.00 178.44 178.66 1hac h GLU 30 N -0.11 0.41 0.03 1.13 4.81 -1.39 0.20 114.58 119.65 1hac h GLU 30 Ca 0.19 -0.02 -0.22 0.00 -0.13 0.00 0.00 59.36 59.17 1hac h GLU 30 Cb 0.40 -0.09 -0.00 0.00 0.63 0.00 0.00 28.75 29.69 1hac h GLU 30 CO -0.45 0.27 -0.97 0.00 -0.73 0.00 0.00 179.01 177.12 1hac h ARG 31 N 0.42 0.28 -0.09 1.92 3.08 0.40 -2.05 114.38 118.34 1hac h ARG 31 Ca 0.26 -0.34 -0.03 0.00 0.07 0.00 0.00 59.98 59.95 1hac h ARG 31 Cb 0.48 0.10 -0.00 0.00 0.08 0.00 0.00 29.97 30.63 1hac h ARG 31 CO -0.07 1.06 -0.06 1.98 -1.07 0.00 0.00 179.97 181.80 1hac h MET 32 N 0.14 0.19 -0.42 0.04 4.05 0.14 0.16 114.93 119.24 1hac h MET 32 Ca -0.07 -0.09 -0.06 0.00 -0.28 0.00 0.00 59.70 59.19 1hac h MET 32 Cb 1.63 -0.00 -0.02 0.00 -0.80 0.00 0.00 31.60 32.41 1hac h MET 32 CO 0.16 0.59 0.00 0.74 0.23 0.00 0.00 176.91 178.63 1hac h PHE 33 N -0.20 0.70 0.83 1.39 0.04 -0.78 1.18 116.94 120.10 1hac h PHE 33 Ca 0.02 -0.08 -0.04 0.00 2.80 0.00 0.00 57.97 60.66 1hac h PHE 33 Cb 0.55 -0.20 0.01 0.00 2.20 0.00 0.00 35.95 38.51 1hac h PHE 33 CO 0.08 0.66 -0.40 -0.07 -0.60 0.00 0.00 178.31 177.99 1hac h LEU 34 N 0.63 -0.94 0.00 1.54 4.07 -1.15 -2.31 115.31 117.15 1hac h LEU 34 Ca 0.13 0.03 0.00 0.00 0.08 0.00 0.00 57.88 58.12 1hac h LEU 34 Cb 0.39 0.24 0.00 0.00 1.08 0.00 0.00 40.66 42.37 1hac h LEU 34 CO 0.01 -0.65 -0.28 0.28 -1.08 0.00 0.00 178.44 176.72 1hac h SER 35 N -1.15 0.00 -1.46 -0.43 0.02 -0.70 -3.37 113.55 106.46 1hac h SER 35 Ca -0.11 -0.04 -0.49 0.00 -0.84 0.00 0.00 61.79 60.31 1hac h SER 35 Cb 0.86 0.00 -0.41 0.00 0.14 0.00 0.00 62.40 62.99 1hac h SER 35 CO 0.19 0.02 -0.95 0.49 -1.14 0.00 0.00 176.83 175.44 1hac n PHE 36 N -2.59 2.27 -0.13 3.45 3.72 0.41 -4.96 117.46 119.63 1hac n PHE 36 Ca 0.04 -3.17 0.01 0.00 -0.05 0.00 0.00 57.45 54.29 1hac n PHE 36 Cb 0.49 -0.28 0.04 0.00 -0.94 0.00 0.00 39.48 38.79 1hac n PHE 36 CO 0.00 0.00 0.00 -0.35 -0.05 0.00 0.00 176.76 176.36 1hac n PRO 37 N -0.21 -0.04 -0.39 -1.08 -0.04 -0.87 -0.26 135.00 132.10 1hac n PRO 37 Ca 0.25 0.55 0.32 0.00 -0.04 0.00 0.00 63.50 64.58 1hac n PRO 37 Cb 0.69 -0.82 0.59 0.00 -0.04 0.00 0.00 33.50 33.93 1hac n PRO 37 CO 0.00 0.00 0.00 1.15 -0.04 0.00 0.00 175.50 176.61 1hac h THR 38 N 0.00 0.22 -0.10 0.52 2.02 -1.91 1.48 112.91 115.13 1hac h THR 38 Ca 0.16 -0.06 0.03 0.00 0.77 0.00 0.00 66.41 67.31 1hac h THR 38 Cb 0.24 0.03 -0.00 0.00 -1.74 0.00 0.00 68.15 66.68 1hac h THR 38 CO -0.36 0.03 0.15 0.71 0.37 0.00 0.00 175.52 176.42 1hac h THR 39 N 0.17 0.34 -0.52 3.16 1.35 -0.96 0.24 112.91 116.70 1hac h THR 39 Ca 0.77 0.00 0.09 0.00 -0.55 0.00 0.00 66.41 66.72 1hac h THR 39 Cb 2.21 0.87 -0.03 0.00 -1.73 0.00 0.00 68.15 69.47 1hac h THR 39 CO -0.45 0.00 0.35 0.11 -0.25 0.00 0.00 175.52 175.28 1hac h LYS 40 N 0.00 0.31 0.00 4.72 1.57 0.19 -2.35 116.57 121.01 1hac h LYS 40 Ca 0.05 -0.02 0.00 0.00 -1.87 0.00 0.00 60.65 58.81 1hac h LYS 40 Cb 0.35 -0.07 0.00 0.00 0.08 0.00 0.00 32.23 32.59 1hac h LYS 40 CO -0.00 0.20 0.50 0.00 -0.57 0.00 0.00 179.45 179.58 1hac h THR 41 N 0.32 0.00 -0.00 -0.16 1.03 -0.64 0.59 112.91 114.05 1hac h THR 41 Ca 0.24 0.00 0.00 0.00 -0.01 0.00 0.00 66.41 66.64 1hac h THR 41 Cb 0.52 0.39 0.00 0.00 -1.07 0.00 0.00 68.15 67.99 1hac h THR 41 CO -0.05 0.00 -0.85 -1.22 -0.01 0.00 0.00 175.52 173.38 1hac n TYR 42 N -2.54 0.00 -2.80 0.00 4.01 -0.88 -4.53 117.16 110.42 1hac n TYR 42 Ca -0.01 0.00 -0.28 0.00 -0.16 0.00 0.00 57.90 57.45 1hac n TYR 42 Cb 0.53 -0.04 -0.03 0.00 -0.31 0.00 0.00 39.34 39.50 1hac n TYR 42 CO 0.00 0.00 0.00 1.19 -0.46 0.00 0.00 176.86 177.59 1hac n PHE 43 N -1.31 3.82 0.16 -0.72 3.01 0.21 -4.84 117.46 117.79 1hac n PHE 43 Ca 0.05 -3.68 0.04 0.00 1.01 0.00 0.00 57.45 54.87 1hac n PHE 43 Cb 0.35 -0.45 0.16 0.00 -0.01 0.00 0.00 39.48 39.53 1hac n PHE 43 CO 0.00 0.00 0.00 -1.00 1.01 0.00 0.00 176.76 176.77 1hac h PRO 44 N 2.96 0.00 -1.40 -1.08 0.13 -1.80 -3.08 132.00 127.73 1hac h PRO 44 Ca 0.20 0.00 -0.31 0.00 -0.87 0.00 0.00 66.00 65.02 1hac h PRO 44 Cb 0.58 0.00 -0.14 0.00 0.13 0.00 0.00 31.00 31.57 1hac h PRO 44 CO 0.86 0.47 0.40 -2.39 -0.23 0.00 0.00 178.00 177.10 1hac n HIS 45 N -3.35 1.53 -4.01 1.56 1.44 -1.26 -4.86 115.22 106.27 1hac n HIS 45 Ca 0.01 -1.78 -0.12 0.00 -2.01 0.00 0.00 57.72 53.82 1hac n HIS 45 Cb 0.64 -0.87 -0.12 0.00 0.12 0.00 0.00 29.99 29.76 1hac n HIS 45 CO 0.00 0.00 0.00 -0.06 -2.81 0.00 0.00 176.34 173.47 1hac s PHE 46 N -1.77 0.34 -0.43 -1.40 0.40 -1.17 -5.09 117.98 108.87 1hac s PHE 46 Ca 0.30 -0.31 -0.25 0.00 -0.60 0.00 0.00 56.93 56.07 1hac s PHE 46 Cb 0.24 -0.22 0.02 0.00 0.51 0.00 0.00 43.02 43.58 1hac s PHE 46 CO 0.01 -0.08 0.89 0.34 0.70 0.00 0.00 175.22 177.07 1hac s ASP 47 N -0.89 6.53 -0.30 1.36 -1.08 -1.26 -4.90 116.67 116.14 1hac s ASP 47 Ca -0.07 0.23 0.08 0.00 -0.52 0.00 0.00 52.55 52.26 1hac s ASP 47 Cb -0.06 -2.44 0.49 0.00 -1.46 0.00 0.00 42.92 39.45 1hac s ASP 47 CO -0.00 -0.95 1.42 0.18 0.52 0.00 0.00 175.17 176.34 1hac n LEU 48 N 6.92 4.21 -4.94 -1.34 4.32 -1.26 -4.42 117.00 120.49 1hac n LEU 48 Ca 0.05 -3.97 -0.25 0.00 -0.02 0.00 0.00 56.01 51.83 1hac n LEU 48 Cb 0.48 -0.60 0.05 0.00 -1.62 0.00 0.00 43.42 41.73 1hac n LEU 48 CO 0.61 1.42 0.51 -0.94 -1.22 0.00 0.00 177.39 177.77 1hac s SER 49 N -2.76 5.21 0.36 -1.43 1.04 -1.26 -4.97 113.70 109.89 1hac s SER 49 Ca 0.46 0.40 0.19 0.00 0.48 0.00 0.00 55.95 57.48 1hac s SER 49 Cb 0.41 -1.25 1.28 0.00 0.10 0.00 0.00 66.02 66.56 1hac s SER 49 CO -0.01 -1.28 1.57 1.57 0.98 0.00 0.00 173.24 176.07 1hac n HIS 50 N -2.63 1.11 -1.21 5.02 -0.00 -1.26 -1.91 115.22 114.34 1hac n HIS 50 Ca 0.07 1.17 0.03 0.00 0.46 0.00 0.00 57.72 59.44 1hac n HIS 50 Cb 0.59 -1.54 0.22 0.00 -0.12 0.00 0.00 29.99 29.15 1hac n HIS 50 CO 0.00 0.00 0.00 0.41 0.46 0.00 0.00 176.34 177.21 1hac n GLY 51 N -1.28 4.49 3.45 1.57 0.00 -1.26 -5.02 105.19 107.14 1hac n GLY 51 Ca 0.36 -1.13 -0.46 0.00 0.00 0.00 0.00 46.02 44.79 1hac n GLY 51 CO 0.00 0.00 0.00 -1.26 0.00 0.00 0.00 173.32 172.06 1hac n SER 52 N -0.86 1.26 0.28 1.61 2.88 -0.80 -4.71 113.62 113.26 1hac n SER 52 Ca 0.27 0.20 0.13 0.00 -1.33 0.00 0.00 58.87 58.13 1hac n SER 52 Cb 0.95 -1.14 0.67 0.00 -0.75 0.00 0.00 64.21 63.94 1hac n SER 52 CO 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 175.04 173.81 1hac h ALA 53 N 13.03 1.28 0.01 -1.46 0.00 -1.92 1.53 119.26 131.73 1hac h ALA 53 Ca -0.16 0.00 -0.00 0.00 0.00 0.00 0.00 54.91 54.75 1hac h ALA 53 Cb 1.32 0.00 0.00 0.00 0.00 0.00 0.00 17.79 19.11 1hac h ALA 53 CO 1.19 -0.28 -0.01 1.96 0.00 0.00 0.00 179.25 182.12 1hac h GLN 54 N 0.00 -0.01 -0.94 0.00 4.20 -1.86 -1.06 115.11 115.44 1hac h GLN 54 Ca 0.00 0.00 0.10 0.00 0.06 0.00 0.00 58.65 58.81 1hac h GLN 54 Cb 0.61 0.00 -0.07 0.00 0.30 0.00 0.00 27.48 28.32 1hac h GLN 54 CO 0.00 0.54 0.60 0.28 -0.67 0.00 0.00 178.83 179.59 1hac h VAL 55 N -0.99 0.97 -0.61 -0.54 2.07 0.21 0.39 116.25 117.75 1hac h VAL 55 Ca -0.00 -0.33 -0.02 0.00 0.82 0.00 0.00 66.70 67.18 1hac h VAL 55 Cb 0.56 -0.07 -0.03 0.00 -1.52 0.00 0.00 31.29 30.24 1hac h VAL 55 CO 0.00 0.17 0.32 0.11 0.02 0.00 0.00 177.57 178.19 1hac h LYS 56 N 0.95 0.86 -0.18 1.57 6.56 0.18 -0.94 116.57 125.57 1hac h LYS 56 Ca 0.44 -0.11 -0.16 0.00 -1.06 0.00 0.00 60.65 59.76 1hac h LYS 56 Cb 0.41 -0.16 -0.01 0.00 -0.57 0.00 0.00 32.23 31.90 1hac h LYS 56 CO -0.20 0.67 -0.54 0.78 -2.06 0.00 0.00 179.45 178.10 1hac h GLY 57 N 0.83 0.58 0.59 3.86 0.00 0.42 -3.08 103.07 106.27 1hac h GLY 57 Ca 0.21 -0.67 -0.02 0.00 0.00 0.00 0.00 47.33 46.86 1hac h GLY 57 CO -0.03 0.60 -0.16 0.84 0.00 0.00 0.00 176.54 177.79 1hac h HIS 58 N 0.41 -0.42 -1.71 5.60 6.17 -0.08 -2.54 115.15 122.58 1hac h HIS 58 Ca 0.01 -0.01 0.50 0.00 0.71 0.00 0.00 60.37 61.58 1hac h HIS 58 Cb 1.08 0.14 -0.07 0.00 2.52 0.00 0.00 27.41 31.08 1hac h HIS 58 CO 0.04 -0.08 1.29 0.78 0.71 0.00 0.00 177.93 180.68 1hac h GLY 59 N -0.87 0.00 0.18 5.26 0.00 -1.23 1.54 103.07 107.95 1hac h GLY 59 Ca -0.05 0.00 -0.01 0.00 0.00 0.00 0.00 47.33 47.27 1hac h GLY 59 CO 0.08 0.00 -0.09 1.70 0.00 0.00 0.00 176.54 178.23 1hac h LYS 60 N 0.00 -0.24 -0.61 4.80 3.64 -1.45 -2.61 116.57 120.10 1hac h LYS 60 Ca 0.81 0.02 0.09 0.00 -1.27 0.00 0.00 60.65 60.30 1hac h LYS 60 Cb 3.39 0.05 -0.11 0.00 -0.41 0.00 0.00 32.23 35.16 1hac h LYS 60 CO -0.01 -0.16 -0.45 0.87 -2.27 0.00 0.00 179.45 177.44 1hac h LYS 61 N -0.97 -0.21 -0.10 1.90 1.79 0.24 0.47 116.57 119.69 1hac h LYS 61 Ca -0.03 0.01 0.04 0.00 -2.18 0.00 0.00 60.65 58.50 1hac h LYS 61 Cb 0.19 0.05 -0.06 0.00 -1.58 0.00 0.00 32.23 30.83 1hac h LYS 61 CO 0.04 -0.14 -0.30 0.28 -1.08 0.00 0.00 179.45 178.26 1hac h VAL 62 N -0.21 0.33 -0.64 0.50 2.07 -0.78 0.38 116.25 117.89 1hac h VAL 62 Ca 0.18 0.00 0.06 0.00 0.82 0.00 0.00 66.70 67.77 1hac h VAL 62 Cb 0.56 0.33 -0.06 0.00 -1.52 0.00 0.00 31.29 30.60 1hac h VAL 62 CO -0.71 0.00 0.34 0.00 0.02 0.00 0.00 177.57 177.22 1hac h ALA 63 N 0.46 0.86 -0.45 1.67 0.00 -0.88 0.19 119.26 121.10 1hac h ALA 63 Ca 0.09 0.03 0.08 0.00 0.00 0.00 0.00 54.91 55.11 1hac h ALA 63 Cb 0.52 -0.09 -0.07 0.00 0.00 0.00 0.00 17.79 18.16 1hac h ALA 63 CO -0.32 -0.01 0.07 -0.44 0.00 0.00 0.00 179.25 178.54 1hac h ASP 64 N 0.62 -0.05 -0.86 0.00 5.19 0.92 0.27 116.42 122.52 1hac h ASP 64 Ca 0.29 0.09 0.05 0.00 -0.62 0.00 0.00 57.03 56.84 1hac h ASP 64 Cb 0.22 0.13 -0.06 0.00 0.18 0.00 0.00 39.33 39.81 1hac h ASP 64 CO -0.20 0.01 0.55 0.00 -3.12 0.00 0.00 179.24 176.47 1hac h ALA 65 N 1.36 1.15 -0.69 3.45 0.00 0.26 -1.55 119.26 123.24 1hac h ALA 65 Ca 0.22 -0.02 -0.02 0.00 0.00 0.00 0.00 54.91 55.09 1hac h ALA 65 Cb 0.30 -0.27 -0.03 0.00 0.00 0.00 0.00 17.79 17.79 1hac h ALA 65 CO -0.31 0.35 0.34 -0.07 0.00 0.00 0.00 179.25 179.56 1hac h LEU 66 N 1.03 0.90 -1.08 0.00 3.38 0.10 -1.48 115.31 118.16 1hac h LEU 66 Ca 0.36 -0.12 0.10 0.00 0.09 0.00 0.00 57.88 58.30 1hac h LEU 66 Cb 0.08 -0.23 -0.07 0.00 0.09 0.00 0.00 40.66 40.52 1hac h LEU 66 CO -0.14 0.77 0.62 0.74 0.09 0.00 0.00 178.44 180.51 1hac h THR 67 N 0.96 0.97 0.32 0.22 2.02 0.41 0.74 112.91 118.55 1hac h THR 67 Ca 0.24 -0.34 -0.02 0.00 0.77 0.00 0.00 66.41 67.06 1hac h THR 67 Cb 0.10 -0.11 0.00 0.00 -1.74 0.00 0.00 68.15 66.41 1hac h THR 67 CO -0.03 0.18 -0.15 -1.13 0.37 0.00 0.00 175.52 174.76 1hac h ASN 68 N 0.99 -0.36 -0.99 4.18 -0.73 -1.12 0.61 115.58 118.17 1hac h ASN 68 Ca 0.45 -0.11 0.05 0.00 1.87 0.00 0.00 56.30 58.57 1hac h ASN 68 Cb 0.40 0.09 -0.06 0.00 0.27 0.00 0.00 38.32 39.02 1hac h ASN 68 CO -0.21 -0.10 0.64 0.00 -0.37 0.00 0.00 177.43 177.39 1hac h ALA 69 N -0.02 1.33 0.02 1.57 0.00 -0.19 0.30 119.26 122.27 1hac h ALA 69 Ca -0.04 -0.04 -0.00 0.00 0.00 0.00 0.00 54.91 54.83 1hac h ALA 69 Cb 0.45 -0.33 0.00 0.00 0.00 0.00 0.00 17.79 17.91 1hac h ALA 69 CO 0.07 0.49 -0.01 0.28 0.00 0.00 0.00 179.25 180.08 1hac h VAL 70 N 1.21 1.14 -0.91 0.00 2.07 0.78 -1.49 116.25 119.06 1hac h VAL 70 Ca 0.41 -0.49 0.18 0.00 0.82 0.00 0.00 66.70 67.62 1hac h VAL 70 Cb 0.07 1.47 -0.07 0.00 -1.52 0.00 0.00 31.29 31.24 1hac h VAL 70 CO -0.15 0.13 0.59 0.00 0.02 0.00 0.00 177.57 178.16 1hac h ALA 71 N 0.75 2.01 -1.35 1.67 0.00 0.35 -2.58 119.26 120.11 1hac h ALA 71 Ca -0.00 0.02 -0.64 0.00 0.00 0.00 0.00 54.91 54.29 1hac h ALA 71 Cb 0.22 -0.07 -0.38 0.00 0.00 0.00 0.00 17.79 17.57 1hac h ALA 71 CO 0.00 -0.29 -0.22 0.72 0.00 0.00 0.00 179.25 179.46 1hac n HIS 72 N -4.56 3.28 -0.34 0.00 8.25 0.69 -4.86 115.22 117.69 1hac n HIS 72 Ca 0.19 -2.88 0.06 0.00 -0.26 0.00 0.00 57.72 54.84 1hac n HIS 72 Cb 0.60 -0.40 0.22 0.00 1.12 0.00 0.00 29.99 31.53 1hac n HIS 72 CO 0.00 0.00 0.00 0.28 0.64 0.00 0.00 176.34 177.26 1hac h VAL 73 N 2.40 0.89 -0.20 1.59 2.07 -0.85 -0.97 116.25 121.17 1hac h VAL 73 Ca 0.38 -0.31 0.00 0.00 0.82 0.00 0.00 66.70 67.59 1hac h VAL 73 Cb 0.69 -0.09 0.00 0.00 -1.52 0.00 0.00 31.29 30.37 1hac h VAL 73 CO 1.02 0.16 0.00 0.47 0.02 0.00 0.00 177.57 179.24 1hac n ASP 74 N -4.68 1.60 -2.58 0.57 9.92 -1.26 -3.58 116.55 116.53 1hac n ASP 74 Ca 0.18 -2.10 -0.01 0.00 -0.53 0.00 0.00 54.79 52.33 1hac n ASP 74 Cb 0.35 -0.29 0.07 0.00 -0.64 0.00 0.00 41.12 40.62 1hac n ASP 74 CO 0.00 0.00 0.00 -0.67 0.13 0.00 0.00 177.20 176.66 1hac n ASP 75 N 0.15 0.26 -0.12 -2.24 2.03 -0.43 -4.97 116.55 111.23 1hac n ASP 75 Ca 0.08 -2.09 -0.10 0.00 0.52 0.00 0.00 54.79 53.20 1hac n ASP 75 Cb 0.30 0.01 -0.02 0.00 -0.72 0.00 0.00 41.12 40.70 1hac n ASP 75 CO 0.00 0.00 0.00 0.24 -1.92 0.00 0.00 177.20 175.52 1hac h MET 76 N 1.76 0.56 -0.96 -0.67 0.00 -1.45 0.12 114.93 114.29 1hac h MET 76 Ca -0.28 -0.13 0.30 0.00 0.00 0.00 0.00 59.70 59.59 1hac h MET 76 Cb 1.33 -0.08 -0.16 0.00 0.00 0.00 0.00 31.60 32.70 1hac h MET 76 CO 0.01 0.60 0.38 -1.00 0.00 0.00 0.00 176.91 176.91 1hac h PRO 77 N 0.42 0.18 0.06 -0.22 0.13 -1.92 0.38 132.00 131.04 1hac h PRO 77 Ca 0.11 -0.01 -0.09 0.00 -0.87 0.00 0.00 66.00 65.14 1hac h PRO 77 Cb 0.29 -0.04 0.01 0.00 0.13 0.00 0.00 31.00 31.38 1hac h PRO 77 CO -0.00 0.12 -0.39 -0.97 -0.23 0.00 0.00 178.00 176.53 1hac h ASN 78 N 0.19 0.21 -0.85 1.44 -1.24 -1.93 -2.46 115.58 110.94 1hac h ASN 78 Ca 0.68 -0.97 0.10 0.00 0.71 0.00 0.00 56.30 56.81 1hac h ASN 78 Cb 1.53 -0.07 -0.06 0.00 0.73 0.00 0.00 38.32 40.45 1hac h ASN 78 CO -0.69 1.18 0.55 0.00 -1.29 0.00 0.00 177.43 177.18 1hac h ALA 79 N 0.03 1.71 -0.39 1.57 0.00 0.21 -2.89 119.26 119.50 1hac h ALA 79 Ca -0.07 -0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.84 1hac h ALA 79 Cb 1.29 -0.18 0.00 0.00 0.00 0.00 0.00 17.79 18.91 1hac h ALA 79 CO 0.07 0.11 0.00 1.28 0.00 0.00 0.00 179.25 180.70 1hac n LEU 80 N -4.52 2.55 -0.07 0.00 4.77 0.10 -4.74 117.00 115.09 1hac n LEU 80 Ca 0.14 -1.20 -0.02 0.00 -0.03 0.00 0.00 56.01 54.91 1hac n LEU 80 Cb 0.33 -0.26 -0.02 0.00 -2.33 0.00 0.00 43.42 41.14 1hac n LEU 80 CO 0.31 0.60 0.50 0.28 -1.33 0.00 0.00 177.39 177.75 1hac h SER 81 N 3.01 -0.41 -0.76 -1.43 0.02 -1.21 -2.63 113.55 110.12 1hac h SER 81 Ca 0.00 0.06 0.19 0.00 -0.84 0.00 0.00 61.79 61.20 1hac h SER 81 Cb 0.68 0.18 -0.14 0.00 0.14 0.00 0.00 62.40 63.25 1hac h SER 81 CO 0.00 -0.05 -0.07 0.00 -1.14 0.00 0.00 176.83 175.56 1hac n ALA 82 N -2.99 0.30 -0.03 3.77 0.00 -1.26 -1.02 120.51 119.28 1hac n ALA 82 Ca 0.00 0.83 -0.16 0.00 0.00 0.00 0.00 53.44 54.11 1hac n ALA 82 Cb 0.06 -0.56 -0.05 0.00 0.00 0.00 0.00 19.45 18.90 1hac n ALA 82 CO 0.00 0.00 0.00 -0.07 0.00 0.00 0.00 177.50 177.43 1hac h LEU 83 N 0.00 0.90 -1.23 0.00 -0.00 -1.87 -2.33 115.31 110.78 1hac h LEU 83 Ca 0.42 -0.57 0.26 0.00 -0.00 0.00 0.00 57.88 57.99 1hac h LEU 83 Cb 0.78 -0.26 -0.11 0.00 -0.00 0.00 0.00 40.66 41.07 1hac h LEU 83 CO -0.75 1.36 0.64 0.28 -0.00 0.00 0.00 178.44 179.98 1hac h SER 84 N 0.54 0.53 0.19 -0.43 0.02 -0.73 1.94 113.55 115.62 1hac h SER 84 Ca -0.04 0.10 -0.27 0.00 -0.84 0.00 0.00 61.79 60.74 1hac h SER 84 Cb 1.34 0.02 0.02 0.00 0.14 0.00 0.00 62.40 63.92 1hac h SER 84 CO 0.15 0.09 -1.14 0.44 -1.14 0.00 0.00 176.83 175.24 1hac h ASP 85 N 0.46 0.77 0.03 3.07 5.19 -1.42 -1.95 116.42 122.57 1hac h ASP 85 Ca 0.62 -0.68 -0.00 0.00 -0.62 0.00 0.00 57.03 56.34 1hac h ASP 85 Cb 1.41 -0.24 0.00 0.00 0.18 0.00 0.00 39.33 40.68 1hac h ASP 85 CO -0.36 1.49 -0.01 0.25 -3.12 0.00 0.00 179.24 177.48 1hac h LEU 86 N 0.28 -0.03 0.10 1.55 5.85 -0.58 0.57 115.31 123.03 1hac h LEU 86 Ca -0.15 -0.19 -0.00 0.00 0.84 0.00 0.00 57.88 58.38 1hac h LEU 86 Cb 1.80 0.01 0.00 0.00 0.37 0.00 0.00 40.66 42.84 1hac h LEU 86 CO 0.21 0.17 -0.05 0.45 -0.34 0.00 0.00 178.44 178.89 1hac h HIS 87 N -0.24 -0.12 0.00 1.25 3.86 0.30 1.64 115.15 121.84 1hac h HIS 87 Ca -0.00 -0.00 0.00 0.00 -1.16 0.00 0.00 60.37 59.20 1hac h HIS 87 Cb 0.22 0.04 0.00 0.00 1.06 0.00 0.00 27.41 28.73 1hac h HIS 87 CO -0.01 0.29 0.00 0.00 0.86 0.00 0.00 177.93 179.07 1hac n ALA 88 N -2.66 -0.08 -0.06 2.45 0.00 -0.73 0.22 120.51 119.64 1hac n ALA 88 Ca -0.06 0.00 -0.11 0.00 0.00 0.00 0.00 53.44 53.27 1hac n ALA 88 Cb 0.23 0.03 -0.04 0.00 0.00 0.00 0.00 19.45 19.67 1hac n ALA 88 CO 0.00 0.00 0.00 0.45 0.00 0.00 0.00 177.50 177.95 1hac h HIS 89 N 0.00 0.35 0.00 0.00 3.86 -1.63 -0.81 115.15 116.91 1hac h HIS 89 Ca 0.00 -0.04 0.00 0.00 -1.16 0.00 0.00 60.37 59.17 1hac h HIS 89 Cb 0.00 -0.10 0.00 0.00 1.06 0.00 0.00 27.41 28.37 1hac h HIS 89 CO 0.02 0.42 -0.11 1.57 0.86 0.00 0.00 177.93 180.69 1hac h LYS 90 N 0.17 0.00 0.00 2.45 5.09 0.36 -3.39 116.57 121.25 1hac h LYS 90 Ca 0.07 0.00 -0.11 0.00 0.09 0.00 0.00 60.65 60.69 1hac h LYS 90 Cb 0.23 0.00 -0.02 0.00 0.10 0.00 0.00 32.23 32.55 1hac h LYS 90 CO -0.00 0.00 -0.55 -0.07 -2.09 0.00 0.00 179.45 176.74 1hac h LEU 91 N -0.76 0.00 0.79 7.07 4.07 0.26 -3.48 115.31 123.26 1hac h LEU 91 Ca 0.00 0.00 -0.40 0.00 0.08 0.00 0.00 57.88 57.56 1hac h LEU 91 Cb 0.11 0.00 0.05 0.00 1.08 0.00 0.00 40.66 41.90 1hac h LEU 91 CO 0.00 0.55 -0.61 0.54 -1.08 0.00 0.00 178.44 177.84 1hac n ARG 92 N -3.35 -4.99 -1.75 1.13 3.00 0.59 -4.91 116.66 106.38 1hac n ARG 92 Ca 0.01 0.85 -0.42 0.00 -0.01 0.00 0.00 57.85 58.29 1hac n ARG 92 Cb 0.70 -5.72 -0.02 0.00 0.00 0.00 0.00 32.46 27.42 1hac n ARG 92 CO 0.00 0.00 0.00 0.08 0.00 0.00 0.00 177.63 177.71 1hac s VAL 93 N -3.17 2.03 0.02 1.55 1.01 -0.91 -4.89 120.40 116.04 1hac s VAL 93 Ca 0.34 0.02 -0.30 0.00 0.00 0.00 0.00 61.98 62.04 1hac s VAL 93 Cb -0.16 -3.01 -0.07 0.00 0.00 0.00 0.00 36.38 33.14 1hac s VAL 93 CO 0.42 0.00 1.68 -0.62 0.00 0.00 0.00 175.10 176.58 1hac s ASP 94 N 0.72 6.62 0.57 3.32 -1.08 -1.26 -4.79 116.67 120.78 1hac s ASP 94 Ca 0.67 2.41 0.37 0.00 -0.52 0.00 0.00 52.55 55.49 1hac s ASP 94 Cb -0.49 -2.55 1.43 0.00 -1.46 0.00 0.00 42.92 39.85 1hac s ASP 94 CO 0.43 -0.91 1.61 -0.65 0.52 0.00 0.00 175.17 176.17 1hac h PRO 95 N 8.95 0.00 -0.23 4.34 0.11 -2.00 -0.95 132.00 142.22 1hac h PRO 95 Ca -0.42 0.00 0.05 0.00 0.11 0.00 0.00 66.00 65.74 1hac h PRO 95 Cb 1.20 0.00 -0.05 0.00 0.11 0.00 0.00 31.00 32.26 1hac h PRO 95 CO 0.94 0.00 -0.10 0.28 -0.21 0.00 0.00 178.00 178.91 1hac h VAL 96 N 0.00 0.67 -1.24 3.15 2.07 -2.02 -1.74 116.25 117.13 1hac h VAL 96 Ca 0.61 0.00 0.36 0.00 0.82 0.00 0.00 66.70 68.49 1hac h VAL 96 Cb 2.76 0.67 -0.07 0.00 -1.52 0.00 0.00 31.29 33.13 1hac h VAL 96 CO -0.01 0.00 0.86 0.78 0.02 0.00 0.00 177.57 179.23 1hac h ASN 97 N -0.07 0.13 -0.55 0.57 4.21 -1.54 0.23 115.58 118.57 1hac h ASN 97 Ca 0.12 0.03 0.05 0.00 1.21 0.00 0.00 56.30 57.72 1hac h ASN 97 Cb 0.25 0.02 -0.05 0.00 -1.12 0.00 0.00 38.32 37.42 1hac h ASN 97 CO -0.28 0.00 0.28 -0.26 -1.29 0.00 0.00 177.43 175.89 1hac h PHE 98 N 0.10 0.52 -1.00 1.19 -1.00 -1.46 -2.06 116.94 113.23 1hac h PHE 98 Ca 0.63 0.02 0.05 0.00 2.81 0.00 0.00 57.97 61.49 1hac h PHE 98 Cb 2.26 -0.15 -0.06 0.00 3.61 0.00 0.00 35.95 41.61 1hac h PHE 98 CO -0.00 0.25 0.65 0.87 -1.61 0.00 0.00 178.31 178.47 1hac h LYS 99 N 0.54 1.19 -0.54 1.51 1.57 -0.66 -2.71 116.57 117.47 1hac h LYS 99 Ca 0.24 -0.07 0.04 0.00 -1.87 0.00 0.00 60.65 58.99 1hac h LYS 99 Cb 0.15 -0.27 -0.04 0.00 0.08 0.00 0.00 32.23 32.15 1hac h LYS 99 CO -0.17 0.79 0.29 -0.07 -0.57 0.00 0.00 179.45 179.72 1hac h LEU 100 N 1.23 0.44 -0.47 2.94 3.38 -1.35 -2.13 115.31 119.34 1hac h LEU 100 Ca 0.41 0.02 -0.07 0.00 0.09 0.00 0.00 57.88 58.33 1hac h LEU 100 Cb 0.08 -0.07 -0.02 0.00 0.09 0.00 0.00 40.66 40.74 1hac h LEU 100 CO -0.15 0.30 0.02 0.25 0.09 0.00 0.00 178.44 178.96 1hac h LEU 101 N 0.57 0.80 -0.44 1.67 5.85 -1.18 -1.21 115.31 121.38 1hac h LEU 101 Ca 0.23 -0.30 -0.02 0.00 0.84 0.00 0.00 57.88 58.63 1hac h LEU 101 Cb 0.10 -0.21 -0.02 0.00 0.37 0.00 0.00 40.66 40.90 1hac h LEU 101 CO -0.14 0.90 0.19 0.28 -0.34 0.00 0.00 178.44 179.33 1hac h SER 102 N 0.68 0.60 -0.94 1.25 0.02 -1.45 0.57 113.55 114.27 1hac h SER 102 Ca 0.14 -0.16 0.09 0.00 -0.84 0.00 0.00 61.79 61.02 1hac h SER 102 Cb 0.48 -0.16 -0.07 0.00 0.14 0.00 0.00 62.40 62.79 1hac h SER 102 CO 0.02 0.59 0.61 -0.74 -1.14 0.00 0.00 176.83 176.17 1hac h HIS 103 N 0.57 1.07 -0.09 3.45 -0.00 -1.26 0.43 115.15 119.32 1hac h HIS 103 Ca 0.15 0.03 -0.04 0.00 -0.00 0.00 0.00 60.37 60.51 1hac h HIS 103 Cb 0.17 -0.35 -0.00 0.00 -0.00 0.00 0.00 27.41 27.23 1hac h HIS 103 CO -0.00 0.50 -0.10 0.00 -0.00 0.00 0.00 177.93 178.33 1hac h LEU 105 N -0.19 0.78 -0.13 0.00 7.12 0.69 -2.00 115.31 121.58 1hac h LEU 105 Ca 0.01 0.05 -0.01 0.00 0.13 0.00 0.00 57.88 58.07 1hac h LEU 105 Cb 0.62 -0.10 -0.01 0.00 -0.53 0.00 0.00 40.66 40.64 1hac h LEU 105 CO 0.02 0.42 0.05 -0.07 -0.13 0.00 0.00 178.44 178.73 1hac h LEU 106 N 0.87 0.17 -2.41 2.25 3.38 -0.10 0.20 115.31 119.67 1hac h LEU 106 Ca 0.45 -0.17 -0.01 0.00 0.09 0.00 0.00 57.88 58.25 1hac h LEU 106 Cb 0.44 -0.05 -0.00 0.00 0.09 0.00 0.00 40.66 41.15 1hac h LEU 106 CO -0.27 0.29 -0.03 0.58 0.09 0.00 0.00 178.44 179.11 1hac h VAL 107 N 0.04 0.41 0.01 1.22 2.07 -0.86 0.48 116.25 119.62 1hac h VAL 107 Ca 0.04 -0.15 -0.31 0.00 0.82 0.00 0.00 66.70 67.10 1hac h VAL 107 Cb 0.17 1.10 -0.05 0.00 -1.52 0.00 0.00 31.29 30.99 1hac h VAL 107 CO -0.00 0.03 -1.85 0.41 0.02 0.00 0.00 177.57 176.18 1hac n THR 108 N -3.61 1.59 0.02 2.57 -1.04 -0.80 -2.69 114.28 110.31 1hac n THR 108 Ca -0.03 -0.79 -0.13 0.00 -2.04 0.00 0.00 64.05 61.07 1hac n THR 108 Cb 0.12 -1.02 -0.09 0.00 -1.82 0.00 0.00 70.33 67.53 1hac n THR 108 CO 0.00 0.00 0.00 -0.07 -0.64 0.00 0.00 175.07 174.36 1hac h LEU 109 N 0.01 -0.06 -0.48 -4.42 4.07 -0.27 -1.58 115.31 112.56 1hac h LEU 109 Ca -0.34 -0.40 0.08 0.00 0.08 0.00 0.00 57.88 57.29 1hac h LEU 109 Cb 2.05 0.02 -0.07 0.00 1.08 0.00 0.00 40.66 43.74 1hac h LEU 109 CO 0.07 0.38 0.10 0.00 -1.08 0.00 0.00 178.44 177.91 1hac h ALA 110 N 0.38 0.54 -0.30 1.53 0.00 -1.07 0.91 119.26 121.25 1hac h ALA 110 Ca -0.01 0.10 -0.01 0.00 0.00 0.00 0.00 54.91 54.99 1hac h ALA 110 Cb 0.46 0.13 -0.02 0.00 0.00 0.00 0.00 17.79 18.37 1hac h ALA 110 CO 0.01 -0.31 0.12 0.00 0.00 0.00 0.00 179.25 179.08 1hac h ALA 111 N 1.37 1.66 0.03 0.00 0.00 -1.34 -2.82 119.26 118.15 1hac h ALA 111 Ca 0.24 -0.08 -0.37 0.00 0.00 0.00 0.00 54.91 54.70 1hac h ALA 111 Cb 0.32 -0.13 -0.06 0.00 0.00 0.00 0.00 17.79 17.92 1hac h ALA 111 CO -0.31 0.27 -2.25 0.72 0.00 0.00 0.00 179.25 177.68 1hac n HIS 112 N -4.42 0.41 -1.59 0.00 -0.00 -0.61 -4.61 115.22 104.40 1hac n HIS 112 Ca 0.01 0.11 -0.28 0.00 -0.00 0.00 0.00 57.72 57.56 1hac n HIS 112 Cb 0.13 -1.06 0.07 0.00 -0.00 0.00 0.00 29.99 29.13 1hac n HIS 112 CO 0.00 0.00 0.00 1.28 -0.00 0.00 0.00 176.34 177.62 1hac n LEU 113 N -3.15 6.34 -0.19 2.41 7.99 0.31 -4.86 117.00 125.85 1hac n LEU 113 Ca -0.36 -4.38 -0.01 0.00 -0.01 0.00 0.00 56.01 51.25 1hac n LEU 113 Cb 1.05 -0.71 0.02 0.00 -0.11 0.00 0.00 43.42 43.67 1hac n LEU 113 CO 0.37 1.67 0.28 -0.81 -1.51 0.00 0.00 177.39 177.39 1hac n PRO 114 N -0.87 -0.12 -0.23 3.23 -0.04 -1.07 0.28 135.00 136.18 1hac n PRO 114 Ca 0.53 0.75 -0.01 0.00 -0.04 0.00 0.00 63.50 64.74 1hac n PRO 114 Cb 0.85 -1.11 0.21 0.00 -0.04 0.00 0.00 33.50 33.41 1hac n PRO 114 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 1hac h ALA 115 N 0.64 1.37 0.16 0.55 0.00 -1.90 -3.07 119.26 117.02 1hac h ALA 115 Ca 0.16 -0.09 -0.33 0.00 0.00 0.00 0.00 54.91 54.65 1hac h ALA 115 Cb 0.29 -0.31 0.00 0.00 0.00 0.00 0.00 17.79 17.77 1hac h ALA 115 CO -0.48 0.54 -1.65 0.93 0.00 0.00 0.00 179.25 178.58 1hac h GLU 116 N 1.04 0.34 -5.48 0.00 3.07 -0.58 -3.43 114.58 109.55 1hac h GLU 116 Ca 0.27 -0.57 -0.25 0.00 -0.50 0.00 0.00 59.36 58.31 1hac h GLU 116 Cb -0.04 0.21 0.00 0.00 -0.84 0.00 0.00 28.75 28.09 1hac h GLU 116 CO -0.05 1.23 0.89 0.34 -1.40 0.00 0.00 179.01 180.02 1hac n PHE 117 N -3.53 1.29 -4.29 4.33 7.35 0.83 -4.74 117.46 118.70 1hac n PHE 117 Ca -0.21 0.06 -0.20 0.00 -0.76 0.00 0.00 57.45 56.33 1hac n PHE 117 Cb 1.06 -2.62 -0.11 0.00 0.35 0.00 0.00 39.48 38.16 1hac n PHE 117 CO 0.00 0.00 0.00 0.95 -0.76 0.00 0.00 176.76 176.95 1hac s THR 118 N 13.40 1.61 0.26 -2.13 -4.23 -1.26 -4.88 115.64 118.41 1hac s THR 118 Ca 0.96 -1.81 -0.08 0.00 -1.18 0.00 0.00 61.69 59.58 1hac s THR 118 Cb -0.16 -1.69 0.36 0.00 1.34 0.00 0.00 72.50 72.34 1hac s THR 118 CO 0.18 -0.34 1.59 -0.65 -0.54 0.00 0.00 174.62 174.87 1hac h PRO 119 N 3.42 0.02 -0.51 3.99 0.11 -1.98 0.85 132.00 137.91 1hac h PRO 119 Ca -0.41 -0.00 -0.05 0.00 0.11 0.00 0.00 66.00 65.65 1hac h PRO 119 Cb 1.20 -0.00 -0.02 0.00 0.11 0.00 0.00 31.00 32.28 1hac h PRO 119 CO 0.50 0.01 0.13 0.00 -0.21 0.00 0.00 178.00 178.43 1hac h ALA 120 N 1.84 0.67 -0.35 -0.75 0.00 -1.95 0.68 119.26 119.40 1hac h ALA 120 Ca 0.43 -0.21 -0.02 0.00 0.00 0.00 0.00 54.91 55.11 1hac h ALA 120 Cb 0.71 -0.19 -0.02 0.00 0.00 0.00 0.00 17.79 18.30 1hac h ALA 120 CO -0.84 0.36 0.14 0.28 0.00 0.00 0.00 179.25 179.18 1hac h VAL 121 N 0.70 1.19 -0.19 0.00 2.07 -0.23 0.25 116.25 120.03 1hac h VAL 121 Ca 0.16 -0.57 0.04 0.00 0.82 0.00 0.00 66.70 67.15 1hac h VAL 121 Cb 0.33 0.91 -0.04 0.00 -1.52 0.00 0.00 31.29 30.98 1hac h VAL 121 CO 0.00 0.20 -0.05 -0.74 0.02 0.00 0.00 177.57 177.01 1hac h HIS 122 N 0.42 -0.10 -0.82 1.57 6.17 0.78 0.20 115.15 123.36 1hac h HIS 122 Ca 0.12 0.02 0.06 0.00 0.71 0.00 0.00 60.37 61.28 1hac h HIS 122 Cb 0.18 0.07 -0.06 0.00 2.52 0.00 0.00 27.41 30.13 1hac h HIS 122 CO -0.00 -0.08 0.50 0.00 0.71 0.00 0.00 177.93 179.06 1hac h ALA 123 N 1.19 1.13 -0.15 5.26 0.00 0.11 -0.46 119.26 126.33 1hac h ALA 123 Ca 0.09 -0.00 -0.17 0.00 0.00 0.00 0.00 54.91 54.83 1hac h ALA 123 Cb 0.14 -0.21 -0.00 0.00 0.00 0.00 0.00 17.79 17.71 1hac h ALA 123 CO -0.20 0.23 -0.62 0.77 0.00 0.00 0.00 179.25 179.44 1hac h SER 124 N 0.92 0.62 -0.29 0.00 0.02 0.27 -2.69 113.55 112.39 1hac h SER 124 Ca 0.36 -0.35 -0.12 0.00 -0.84 0.00 0.00 61.79 60.84 1hac h SER 124 Cb 0.18 -0.18 -0.00 0.00 0.14 0.00 0.00 62.40 62.54 1hac h SER 124 CO -0.18 1.08 -0.28 -0.07 -1.14 0.00 0.00 176.83 176.25 1hac h LEU 125 N 0.40 0.74 -0.85 5.07 -0.00 -0.12 -1.87 115.31 118.68 1hac h LEU 125 Ca -0.01 -0.47 0.12 0.00 -0.00 0.00 0.00 57.88 57.53 1hac h LEU 125 Cb 1.18 -0.21 -0.08 0.00 -0.00 0.00 0.00 40.66 41.54 1hac h LEU 125 CO 0.11 1.06 0.47 -0.78 -0.00 0.00 0.00 178.44 179.30 1hac h ASP 126 N 0.44 0.62 0.22 -0.43 3.58 -1.13 0.75 116.42 120.47 1hac h ASP 126 Ca 0.05 0.07 -0.15 0.00 0.42 0.00 0.00 57.03 57.42 1hac h ASP 126 Cb 0.85 -0.04 -0.01 0.00 1.72 0.00 0.00 39.33 41.85 1hac h ASP 126 CO 0.07 0.30 -0.56 0.11 -2.88 0.00 0.00 179.24 176.28 1hac h LYS 127 N 0.72 0.36 0.78 0.28 1.57 -1.34 -0.57 116.57 118.36 1hac h LYS 127 Ca 0.44 -0.23 -0.04 0.00 -1.87 0.00 0.00 60.65 58.95 1hac h LYS 127 Cb 0.53 0.03 0.01 0.00 0.08 0.00 0.00 32.23 32.88 1hac h LYS 127 CO -0.31 0.83 -0.37 0.35 -0.57 0.00 0.00 179.45 179.37 1hac h PHE 128 N 0.28 -0.97 -0.90 -1.35 3.57 0.26 -2.36 116.94 115.48 1hac h PHE 128 Ca 0.00 -0.02 0.07 0.00 3.53 0.00 0.00 57.97 61.55 1hac h PHE 128 Cb 1.07 0.32 -0.07 0.00 2.79 0.00 0.00 35.95 40.07 1hac h PHE 128 CO 0.03 -0.59 0.56 -0.07 -2.23 0.00 0.00 178.31 176.01 1hac h LEU 129 N -1.14 0.87 -1.84 0.59 3.38 0.37 0.40 115.31 117.94 1hac h LEU 129 Ca -0.11 0.02 0.26 0.00 0.09 0.00 0.00 57.88 58.14 1hac h LEU 129 Cb 0.82 -0.16 -0.05 0.00 0.09 0.00 0.00 40.66 41.36 1hac h LEU 129 CO 0.18 0.54 0.66 0.00 0.09 0.00 0.00 178.44 179.91 1hac h ALA 130 N 1.43 2.69 0.18 1.53 0.00 -0.76 0.49 119.26 124.82 1hac h ALA 130 Ca 0.40 -0.01 -0.35 0.00 0.00 0.00 0.00 54.91 54.94 1hac h ALA 130 Cb 0.21 0.05 0.01 0.00 0.00 0.00 0.00 17.79 18.06 1hac h ALA 130 CO -0.19 -0.98 -1.76 0.77 0.00 0.00 0.00 179.25 177.10 1hac h SER 131 N 0.12 0.59 -0.61 0.00 0.02 -0.43 -2.44 113.55 110.78 1hac h SER 131 Ca 0.46 -0.90 0.11 0.00 -0.84 0.00 0.00 61.79 60.62 1hac h SER 131 Cb 1.64 -0.19 -0.09 0.00 0.14 0.00 0.00 62.40 63.91 1hac h SER 131 CO -0.07 1.77 0.15 0.58 -1.14 0.00 0.00 176.83 178.12 1hac h VAL 132 N 0.10 0.65 -0.00 2.27 2.07 -0.24 -0.13 116.25 120.96 1hac h VAL 132 Ca -0.34 -0.10 0.00 0.00 0.82 0.00 0.00 66.70 67.08 1hac h VAL 132 Cb 2.09 0.34 -0.00 0.00 -1.52 0.00 0.00 31.29 32.20 1hac h VAL 132 CO 0.17 0.05 -0.02 0.28 0.02 0.00 0.00 177.57 178.07 1hac h SER 133 N 0.29 -0.05 -0.70 0.57 0.02 -1.03 -0.96 113.55 111.69 1hac h SER 133 Ca 0.32 0.01 0.06 0.00 -0.84 0.00 0.00 61.79 61.34 1hac h SER 133 Cb 0.48 0.02 -0.04 0.00 0.14 0.00 0.00 62.40 63.00 1hac h SER 133 CO -0.40 -0.03 0.46 0.74 -1.14 0.00 0.00 176.83 176.46 1hac h THR 134 N -0.03 1.04 -0.11 -2.27 2.02 -0.64 -1.98 112.91 110.93 1hac h THR 134 Ca 0.01 -0.26 -0.16 0.00 0.77 0.00 0.00 66.41 66.77 1hac h THR 134 Cb 0.04 0.22 0.01 0.00 -1.74 0.00 0.00 68.15 66.68 1hac h THR 134 CO -0.02 0.14 -0.56 0.58 0.37 0.00 0.00 175.52 176.03 1hac h VAL 135 N 0.75 1.35 0.00 3.16 2.07 -0.56 -2.14 116.25 120.88 1hac h VAL 135 Ca 0.29 -1.85 0.00 0.00 0.82 0.00 0.00 66.70 65.96 1hac h VAL 135 Cb 0.21 2.15 0.00 0.00 -1.52 0.00 0.00 31.29 32.13 1hac h VAL 135 CO -0.09 0.56 0.00 0.18 0.02 0.00 0.00 177.57 178.24 1hac n LEU 136 N -4.17 0.00 0.00 2.57 4.77 -0.41 -1.79 117.00 117.97 1hac n LEU 136 Ca -0.08 0.18 0.00 0.00 -0.03 0.00 0.00 56.01 56.08 1hac n LEU 136 Cb 0.63 -0.18 0.00 0.00 -2.33 0.00 0.00 43.42 41.54 1hac n LEU 136 CO 0.48 -0.14 0.26 0.35 -1.33 0.00 0.00 177.39 177.00 1hac n THR 137 N -1.18 0.13 -0.09 -5.08 -2.24 -0.99 -4.18 114.28 100.66 1hac n THR 137 Ca 0.03 -0.50 0.25 0.00 -2.27 0.00 0.00 64.05 61.57 1hac n THR 137 Cb 0.04 1.04 0.72 0.00 -2.10 0.00 0.00 70.33 70.03 1hac n THR 137 CO 0.00 0.00 0.00 0.77 -0.57 0.00 0.00 175.07 175.27 1hac h SER 138 N 0.00 0.00 0.41 3.42 4.64 -0.70 0.92 113.55 122.24 1hac h SER 138 Ca 0.00 0.00 -0.01 0.00 -0.47 0.00 0.00 61.79 61.31 1hac h SER 138 Cb 0.14 0.00 -0.00 0.00 -0.31 0.00 0.00 62.40 62.23 1hac h SER 138 CO 0.00 0.00 -0.03 0.11 -0.87 0.00 0.00 176.83 176.04 1hac h LYS 139 N 0.00 0.00 0.00 4.77 1.79 -1.83 -3.30 116.57 118.01 1hac h LYS 139 Ca 0.35 0.00 0.00 0.00 -2.18 0.00 0.00 60.65 58.82 1hac h LYS 139 Cb 1.48 0.00 0.00 0.00 -1.58 0.00 0.00 32.23 32.13 1hac h LYS 139 CO -0.00 0.03 0.00 0.66 -1.08 0.00 0.00 179.45 179.06 1hac n TYR 140 N -3.25 0.00 1.79 -1.35 4.01 0.32 -4.95 117.16 113.73 1hac n TYR 140 Ca -0.02 0.00 0.14 0.00 -0.16 0.00 0.00 57.90 57.87 1hac n TYR 140 Cb 0.19 0.00 0.85 0.00 -0.31 0.00 0.00 39.34 40.07 1hac n TYR 140 CO 0.00 0.00 0.00 0.54 -0.46 0.00 0.00 176.86 176.94