#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1hho n LEU 2 N 0.00 -2.85 -4.99 6.55 4.77 -1.26 -5.09 117.00 114.13 1hho n LEU 2 Ca 0.00 0.58 -0.19 0.00 -0.03 0.00 0.00 56.01 56.38 1hho n LEU 2 Cb 0.00 -1.43 0.01 0.00 -2.33 0.00 0.00 43.42 39.67 1hho n LEU 2 CO 0.00 -0.47 0.17 -0.94 -1.33 0.00 0.00 177.39 174.82 1hho s SER 3 N -0.11 5.71 0.60 -1.43 1.04 -1.26 -4.81 113.70 113.45 1hho s SER 3 Ca 0.00 -0.21 0.27 0.00 0.48 0.00 0.00 55.95 56.50 1hho s SER 3 Cb 0.00 -0.96 1.22 0.00 0.10 0.00 0.00 66.02 66.37 1hho s SER 3 CO 0.00 -0.71 1.62 1.55 0.98 0.00 0.00 173.24 176.68 1hho h PRO 4 N 0.60 0.00 0.00 4.02 0.13 -1.98 0.14 132.00 134.91 1hho h PRO 4 Ca -0.43 0.00 -0.12 0.00 -0.87 0.00 0.00 66.00 64.58 1hho h PRO 4 Cb 1.27 0.00 -0.02 0.00 0.13 0.00 0.00 31.00 32.38 1hho h PRO 4 CO 0.50 0.00 -1.93 0.00 -0.23 0.00 0.00 178.00 176.34 1hho n ALA 5 N -2.26 2.30 -0.01 -0.56 0.00 -1.26 -2.44 120.51 116.29 1hho n ALA 5 Ca 0.14 -0.72 -0.13 0.00 0.00 0.00 0.00 53.44 52.74 1hho n ALA 5 Cb 1.03 -0.66 -0.10 0.00 0.00 0.00 0.00 19.45 19.73 1hho n ALA 5 CO 0.00 0.00 0.00 -0.44 0.00 0.00 0.00 177.50 177.06 1hho h ASP 6 N 0.00 -0.00 -0.14 0.00 3.45 -1.19 -2.22 116.42 116.32 1hho h ASP 6 Ca -0.17 -0.45 0.04 0.00 0.43 0.00 0.00 57.03 56.88 1hho h ASP 6 Cb 1.42 0.00 -0.01 0.00 -0.56 0.00 0.00 39.33 40.19 1hho h ASP 6 CO 0.01 0.45 0.10 0.50 -1.57 0.00 0.00 179.24 178.74 1hho h LYS 7 N -0.45 0.00 -0.18 3.56 3.64 -1.07 0.22 116.57 122.29 1hho h LYS 7 Ca -0.00 0.00 -0.13 0.00 -1.27 0.00 0.00 60.65 59.25 1hho h LYS 7 Cb 0.45 0.00 0.00 0.00 -0.41 0.00 0.00 32.23 32.27 1hho h LYS 7 CO 0.00 0.00 -0.40 1.15 -2.27 0.00 0.00 179.45 177.93 1hho h THR 8 N 0.00 1.34 -0.39 1.00 2.02 -1.15 -0.88 112.91 114.85 1hho h THR 8 Ca 0.07 -1.65 -0.10 0.00 0.77 0.00 0.00 66.41 65.50 1hho h THR 8 Cb 0.27 1.93 -0.02 0.00 -1.74 0.00 0.00 68.15 68.60 1hho h THR 8 CO -0.00 0.51 -0.18 0.78 0.37 0.00 0.00 175.52 177.00 1hho h ASN 9 N 0.25 0.74 0.77 4.18 -0.26 -0.96 -2.45 115.58 117.84 1hho h ASN 9 Ca 0.00 -0.25 -0.21 0.00 -0.56 0.00 0.00 56.30 55.28 1hho h ASN 9 Cb 1.01 -0.20 -0.02 0.00 -1.06 0.00 0.00 38.32 38.05 1hho h ASN 9 CO 0.09 0.92 -0.97 0.58 -1.06 0.00 0.00 177.43 176.99 1hho h VAL 10 N 0.66 1.58 0.00 2.81 2.07 -0.59 0.15 116.25 122.94 1hho h VAL 10 Ca 0.10 -2.98 -0.00 0.00 0.82 0.00 0.00 66.70 64.63 1hho h VAL 10 Cb 0.67 2.68 -0.00 0.00 -1.52 0.00 0.00 31.29 33.12 1hho h VAL 10 CO 0.05 0.86 -0.01 0.11 0.02 0.00 0.00 177.57 178.60 1hho h LYS 11 N 0.05 0.00 0.00 1.57 1.57 -0.90 -2.94 116.57 115.92 1hho h LYS 11 Ca -0.04 0.00 -0.15 0.00 -1.87 0.00 0.00 60.65 58.58 1hho h LYS 11 Cb 1.66 0.00 -0.03 0.00 0.08 0.00 0.00 32.23 33.94 1hho h LYS 11 CO 0.14 0.01 -1.58 0.00 -0.57 0.00 0.00 179.45 177.45 1hho n ALA 12 N -2.12 1.78 0.28 3.86 0.00 -0.95 -2.34 120.51 121.03 1hho n ALA 12 Ca -0.02 -0.47 0.15 0.00 0.00 0.00 0.00 53.44 53.10 1hho n ALA 12 Cb 0.13 0.21 0.82 0.00 0.00 0.00 0.00 19.45 20.62 1hho n ALA 12 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1hho h ALA 13 N 0.11 1.27 0.12 0.00 0.00 -0.79 -2.37 119.26 117.59 1hho h ALA 13 Ca -0.23 -0.07 -0.30 0.00 0.00 0.00 0.00 54.91 54.32 1hho h ALA 13 Cb 1.40 -0.01 0.03 0.00 0.00 0.00 0.00 17.79 19.20 1hho h ALA 13 CO -0.02 0.09 -1.24 2.35 0.00 0.00 0.00 179.25 180.43 1hho h TRP 14 N 0.00 1.00 -0.77 0.00 -0.00 -1.62 -1.78 115.95 112.78 1hho h TRP 14 Ca -0.00 -0.63 0.08 0.00 -0.00 0.00 0.00 58.89 58.34 1hho h TRP 14 Cb 0.25 -0.08 -0.11 0.00 -0.00 0.00 0.00 29.16 29.22 1hho h TRP 14 CO 0.00 1.47 -0.56 0.78 -0.00 0.00 0.00 178.44 180.13 1hho h GLY 15 N 0.36 -0.83 2.00 2.65 0.00 -1.15 -1.07 103.07 105.02 1hho h GLY 15 Ca -0.18 0.74 -0.01 0.00 0.00 0.00 0.00 47.33 47.88 1hho h GLY 15 CO 0.24 -0.03 -0.06 0.50 0.00 0.00 0.00 176.54 177.19 1hho h LYS 16 N -0.15 0.00 0.00 4.80 1.79 -1.46 -2.72 116.57 118.83 1hho h LYS 16 Ca 0.14 0.00 -0.11 0.00 -2.18 0.00 0.00 60.65 58.50 1hho h LYS 16 Cb 0.49 0.00 -0.02 0.00 -1.58 0.00 0.00 32.23 31.13 1hho h LYS 16 CO -0.81 0.06 -0.51 0.28 -1.08 0.00 0.00 179.45 177.39 1hho h VAL 17 N 0.00 0.98 0.00 0.50 2.07 -0.27 -3.48 116.25 116.05 1hho h VAL 17 Ca -0.00 -2.08 0.00 0.00 0.82 0.00 0.00 66.70 65.44 1hho h VAL 17 Cb 0.16 2.27 0.00 0.00 -1.52 0.00 0.00 31.29 32.21 1hho h VAL 17 CO 0.01 0.50 0.00 0.61 0.02 0.00 0.00 177.57 178.71 1hho n GLY 18 N 0.83 1.18 0.31 2.17 0.00 -1.03 -2.16 105.19 106.48 1hho n GLY 18 Ca 0.01 0.11 0.20 0.00 0.00 0.00 0.00 46.02 46.34 1hho n GLY 18 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1hho h ALA 19 N 0.00 1.00 -0.20 4.61 0.00 -1.92 -0.78 119.26 121.96 1hho h ALA 19 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.91 1hho h ALA 19 Cb 0.00 0.00 0.00 0.00 0.00 0.00 0.00 17.79 17.79 1hho h ALA 19 CO 0.00 0.00 0.00 0.72 0.00 0.00 0.00 179.25 179.97 1hho n HIS 20 N -3.04 0.27 -0.32 0.00 8.25 -0.92 -4.27 115.22 115.19 1hho n HIS 20 Ca -0.01 -0.13 -0.01 0.00 -0.26 0.00 0.00 57.72 57.30 1hho n HIS 20 Cb 0.17 0.00 0.12 0.00 1.12 0.00 0.00 29.99 31.39 1hho n HIS 20 CO 0.00 0.00 0.00 0.00 0.64 0.00 0.00 176.34 176.98 1hho h ALA 21 N 3.48 1.15 -0.39 -1.41 0.00 -1.27 -0.89 119.26 119.93 1hho h ALA 21 Ca 0.00 -0.03 -0.10 0.00 0.00 0.00 0.00 54.91 54.78 1hho h ALA 21 Cb 0.30 -0.29 -0.02 0.00 0.00 0.00 0.00 17.79 17.78 1hho h ALA 21 CO 0.00 0.39 -0.15 0.78 0.00 0.00 0.00 179.25 180.27 1hho h GLY 22 N 1.08 0.77 2.00 0.00 0.00 -1.83 -0.60 103.07 104.49 1hho h GLY 22 Ca 0.35 -0.59 -0.02 0.00 0.00 0.00 0.00 47.33 47.07 1hho h GLY 22 CO -0.12 0.54 -0.11 0.83 0.00 0.00 0.00 176.54 177.68 1hho h GLU 23 N 0.64 0.00 0.00 4.80 5.08 -1.48 -1.52 114.58 122.09 1hho h GLU 23 Ca 0.10 0.00 -0.21 0.00 -1.00 0.00 0.00 59.36 58.25 1hho h GLU 23 Cb 0.62 0.00 -0.04 0.00 0.50 0.00 0.00 28.75 29.83 1hho h GLU 23 CO 0.04 0.11 -1.51 1.88 -1.00 0.00 0.00 179.01 178.53 1hho h TYR 24 N 0.00 0.00 0.00 4.33 0.99 -0.63 -2.88 116.97 118.79 1hho h TYR 24 Ca -0.00 0.00 0.00 0.00 2.00 0.00 0.00 58.73 60.73 1hho h TYR 24 Cb 0.36 0.00 0.00 0.00 1.00 0.00 0.00 36.73 38.09 1hho h TYR 24 CO 0.00 0.74 0.00 0.78 -0.00 0.00 0.00 178.16 179.68 1hho h GLY 25 N 3.63 0.00 0.77 3.88 0.00 -0.50 0.20 103.07 111.04 1hho h GLY 25 Ca -0.21 0.00 -0.19 0.00 0.00 0.00 0.00 47.33 46.93 1hho h GLY 25 CO 0.06 0.00 -1.62 0.00 0.00 0.00 0.00 176.54 174.98 1hho n ALA 26 N -1.81 1.91 0.11 3.60 0.00 -0.63 -3.46 120.51 120.23 1hho n ALA 26 Ca 0.04 -0.67 -0.03 0.00 0.00 0.00 0.00 53.44 52.79 1hho n ALA 26 Cb 0.38 -0.83 0.05 0.00 0.00 0.00 0.00 19.45 19.06 1hho n ALA 26 CO 0.00 0.00 0.00 1.49 0.00 0.00 0.00 177.50 178.99 1hho h GLU 27 N 0.00 0.00 -0.10 0.00 4.81 -1.09 -2.21 114.58 115.99 1hho h GLU 27 Ca -0.21 0.00 -0.19 0.00 -0.13 0.00 0.00 59.36 58.82 1hho h GLU 27 Cb 1.66 0.00 -0.00 0.00 0.63 0.00 0.00 28.75 31.04 1hho h GLU 27 CO 0.04 0.76 -0.74 0.00 -0.73 0.00 0.00 179.01 178.34 1hho h ALA 28 N 1.24 0.52 -0.09 2.92 0.00 -1.05 -1.32 119.26 121.48 1hho h ALA 28 Ca -0.01 -0.60 -0.01 0.00 0.00 0.00 0.00 54.91 54.29 1hho h ALA 28 Cb 1.38 -0.05 -0.00 0.00 0.00 0.00 0.00 17.79 19.11 1hho h ALA 28 CO 0.10 0.74 0.03 -0.07 0.00 0.00 0.00 179.25 180.05 1hho h LEU 29 N 0.35 0.13 -0.18 0.00 3.38 -1.58 -2.20 115.31 115.20 1hho h LEU 29 Ca -0.04 -0.19 0.03 0.00 0.09 0.00 0.00 57.88 57.78 1hho h LEU 29 Cb 1.33 -0.03 -0.03 0.00 0.09 0.00 0.00 40.66 42.02 1hho h LEU 29 CO 0.13 0.28 -0.01 -0.08 0.09 0.00 0.00 178.44 178.86 1hho h GLU 30 N -0.03 0.05 -1.02 1.13 4.81 -1.03 -2.20 114.58 116.29 1hho h GLU 30 Ca 0.03 -0.00 0.25 0.00 -0.13 0.00 0.00 59.36 59.51 1hho h GLU 30 Cb 0.20 -0.01 -0.12 0.00 0.63 0.00 0.00 28.75 29.45 1hho h GLU 30 CO -0.00 0.03 0.61 0.00 -0.73 0.00 0.00 179.01 178.92 1hho h ARG 31 N 0.05 0.51 0.11 1.92 3.08 -1.10 -1.04 114.38 117.92 1hho h ARG 31 Ca 0.09 -0.03 -0.28 0.00 0.07 0.00 0.00 59.98 59.83 1hho h ARG 31 Cb 0.11 -0.12 0.03 0.00 0.08 0.00 0.00 29.97 30.07 1hho h ARG 31 CO -0.15 0.34 -1.15 1.98 -1.07 0.00 0.00 179.97 179.92 1hho h MET 32 N 0.53 0.59 -0.31 0.04 4.05 -0.84 0.33 114.93 119.32 1hho h MET 32 Ca 0.64 -0.78 -0.03 0.00 -0.28 0.00 0.00 59.70 59.25 1hho h MET 32 Cb 1.31 0.26 -0.02 0.00 -0.80 0.00 0.00 31.60 32.35 1hho h MET 32 CO -0.44 1.35 0.05 0.74 0.23 0.00 0.00 176.91 178.84 1hho h PHE 33 N 0.19 0.46 0.20 1.39 0.04 -1.08 0.40 116.94 118.54 1hho h PHE 33 Ca -0.18 -0.03 -0.27 0.00 2.80 0.00 0.00 57.97 60.29 1hho h PHE 33 Cb 1.84 -0.14 0.03 0.00 2.20 0.00 0.00 35.95 39.88 1hho h PHE 33 CO 0.13 0.43 -1.20 -0.07 -0.60 0.00 0.00 178.31 177.00 1hho h LEU 34 N 0.45 0.70 0.05 1.54 4.07 -0.96 -3.32 115.31 117.85 1hho h LEU 34 Ca 0.10 -0.93 -0.33 0.00 0.08 0.00 0.00 57.88 56.81 1hho h LEU 34 Cb 0.22 -0.23 -0.04 0.00 1.08 0.00 0.00 40.66 41.69 1hho h LEU 34 CO 0.00 1.58 -1.87 -1.20 -1.08 0.00 0.00 178.44 175.87 1hho n SER 35 N -3.89 1.41 -3.83 -0.43 7.64 0.12 -4.51 113.62 110.12 1hho n SER 35 Ca -0.15 0.30 -0.29 0.00 1.01 0.00 0.00 58.87 59.74 1hho n SER 35 Cb 0.98 -0.38 -0.13 0.00 -1.01 0.00 0.00 64.21 63.67 1hho n SER 35 CO 0.00 0.00 0.00 -0.36 -3.01 0.00 0.00 175.04 171.67 1hho s PHE 36 N -2.58 2.92 -1.05 1.43 0.40 0.10 -4.96 117.98 114.24 1hho s PHE 36 Ca -0.13 -3.02 0.15 0.00 -0.60 0.00 0.00 56.93 53.32 1hho s PHE 36 Cb 0.07 -2.41 0.63 0.00 0.51 0.00 0.00 43.02 41.82 1hho s PHE 36 CO 0.80 -0.68 1.46 -2.30 0.70 0.00 0.00 175.22 175.20 1hho n PRO 37 N 2.69 0.03 0.17 0.24 -0.02 -1.25 -2.23 135.00 134.63 1hho n PRO 37 Ca 0.14 0.24 0.05 0.00 -2.02 0.00 0.00 63.50 61.90 1hho n PRO 37 Cb 0.35 -1.50 0.26 0.00 -0.02 0.00 0.00 33.50 32.59 1hho n PRO 37 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 1hho h THR 38 N 0.00 0.91 0.00 3.45 1.03 -1.88 -2.66 112.91 113.76 1hho h THR 38 Ca 0.00 -1.73 -0.06 0.00 -0.01 0.00 0.00 66.41 64.62 1hho h THR 38 Cb 0.24 2.06 -0.01 0.00 -1.07 0.00 0.00 68.15 69.37 1hho h THR 38 CO 0.00 0.42 -0.27 0.71 -0.01 0.00 0.00 175.52 176.37 1hho h THR 39 N 0.00 1.07 0.00 0.00 1.35 -1.76 -2.85 112.91 110.72 1hho h THR 39 Ca -0.00 -0.95 0.00 0.00 -0.55 0.00 0.00 66.41 64.91 1hho h THR 39 Cb 1.02 1.53 0.00 0.00 -1.73 0.00 0.00 68.15 68.97 1hho h THR 39 CO 0.06 0.26 0.45 0.11 -0.25 0.00 0.00 175.52 176.14 1hho h LYS 40 N 0.00 0.00 0.00 4.72 1.57 -1.65 -2.34 116.57 118.86 1hho h LYS 40 Ca -0.00 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.78 1hho h LYS 40 Cb 0.51 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.82 1hho h LYS 40 CO 0.03 0.00 0.00 0.00 -0.57 0.00 0.00 179.45 178.91 1hho h THR 41 N 0.00 0.00 0.00 -0.16 1.03 -1.72 -1.85 112.91 110.21 1hho h THR 41 Ca 0.00 -0.34 0.00 0.00 -0.01 0.00 0.00 66.41 66.06 1hho h THR 41 Cb 0.90 1.33 0.00 0.00 -1.07 0.00 0.00 68.15 69.31 1hho h THR 41 CO 0.00 0.00 -0.62 -1.22 -0.01 0.00 0.00 175.52 173.67 1hho n TYR 42 N -3.08 0.40 -2.50 0.00 4.01 -0.88 -4.30 117.16 110.81 1hho n TYR 42 Ca -0.01 0.12 -0.26 0.00 -0.16 0.00 0.00 57.90 57.59 1hho n TYR 42 Cb 0.22 -0.55 0.00 0.00 -0.31 0.00 0.00 39.34 38.71 1hho n TYR 42 CO 0.00 0.00 0.00 1.19 -0.46 0.00 0.00 176.86 177.59 1hho n PHE 43 N -1.96 3.28 1.73 -0.72 3.01 -0.70 -4.80 117.46 117.31 1hho n PHE 43 Ca 0.04 -3.11 0.15 0.00 1.01 0.00 0.00 57.45 55.54 1hho n PHE 43 Cb 0.41 -0.10 0.83 0.00 -0.01 0.00 0.00 39.48 40.62 1hho n PHE 43 CO 0.00 0.00 0.00 -2.30 1.01 0.00 0.00 176.76 175.47 1hho n PRO 44 N -0.45 0.81 -0.29 -1.08 -0.02 -1.26 -1.85 135.00 130.86 1hho n PRO 44 Ca 0.37 -0.07 0.07 0.00 -2.02 0.00 0.00 63.50 61.85 1hho n PRO 44 Cb 0.67 -1.50 0.20 0.00 -0.02 0.00 0.00 33.50 32.85 1hho n PRO 44 CO 0.00 0.00 0.00 -2.39 1.98 0.00 0.00 175.50 175.09 1hho n HIS 45 N -1.03 0.67 -4.54 6.00 1.44 -1.26 -4.91 115.22 111.59 1hho n HIS 45 Ca 0.20 -0.65 -0.32 0.00 -2.01 0.00 0.00 57.72 54.93 1hho n HIS 45 Cb 0.18 -0.15 -0.11 0.00 0.12 0.00 0.00 29.99 30.03 1hho n HIS 45 CO 0.00 0.00 0.00 -0.06 -2.81 0.00 0.00 176.34 173.47 1hho s PHE 46 N -1.74 2.82 -0.24 -1.40 2.99 -0.77 -5.05 117.98 114.60 1hho s PHE 46 Ca 0.31 -0.08 -0.29 0.00 0.00 0.00 0.00 56.93 56.87 1hho s PHE 46 Cb 0.21 -1.60 0.01 0.00 0.00 0.00 0.00 43.02 41.64 1hho s PHE 46 CO 0.13 0.33 1.10 0.34 -0.00 0.00 0.00 175.22 177.12 1hho s ASP 47 N -1.31 7.03 -0.31 1.36 -1.08 -1.26 -4.88 116.67 116.21 1hho s ASP 47 Ca 0.16 1.37 0.10 0.00 -0.52 0.00 0.00 52.55 53.66 1hho s ASP 47 Cb -0.11 -2.54 0.69 0.00 -1.46 0.00 0.00 42.92 39.50 1hho s ASP 47 CO 0.06 -0.74 1.73 0.18 0.52 0.00 0.00 175.17 176.92 1hho n LEU 48 N 6.52 5.64 -4.96 -1.34 4.32 -1.26 -4.41 117.00 121.50 1hho n LEU 48 Ca 0.12 -3.29 -0.22 0.00 -0.02 0.00 0.00 56.01 52.61 1hho n LEU 48 Cb 0.46 -0.71 0.00 0.00 -1.62 0.00 0.00 43.42 41.55 1hho n LEU 48 CO 0.54 0.86 0.20 -0.94 -1.22 0.00 0.00 177.39 176.83 1hho s SER 49 N -1.35 5.95 0.08 -1.43 1.04 -1.26 -4.98 113.70 111.75 1hho s SER 49 Ca 0.53 0.17 -0.17 0.00 0.48 0.00 0.00 55.95 56.95 1hho s SER 49 Cb 0.43 -1.53 -0.05 0.00 0.10 0.00 0.00 66.02 64.97 1hho s SER 49 CO 0.11 -0.55 1.29 -0.74 0.98 0.00 0.00 173.24 174.33 1hho h HIS 50 N 0.61 -0.95 -0.26 5.02 2.76 -2.02 -0.32 115.15 119.99 1hho h HIS 50 Ca -0.47 0.05 0.00 0.00 -2.20 0.00 0.00 60.37 57.76 1hho h HIS 50 Cb 1.25 0.46 0.00 0.00 1.55 0.00 0.00 27.41 30.67 1hho h HIS 50 CO 0.45 -0.24 0.00 0.41 -1.30 0.00 0.00 177.93 177.25 1hho n GLY 51 N -1.18 2.03 3.66 5.26 0.00 -1.26 -4.87 105.19 108.84 1hho n GLY 51 Ca -0.01 -0.41 -0.42 0.00 0.00 0.00 0.00 46.02 45.19 1hho n GLY 51 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 1hho s SER 52 N -0.40 6.58 0.36 1.61 0.15 -0.13 -4.87 113.70 117.01 1hho s SER 52 Ca 0.24 2.43 0.10 0.00 0.70 0.00 0.00 55.95 59.42 1hho s SER 52 Cb 0.18 -2.54 0.85 0.00 -1.71 0.00 0.00 66.02 62.81 1hho s SER 52 CO 0.08 -0.97 1.86 0.00 1.20 0.00 0.00 173.24 175.41 1hho h ALA 53 N 9.73 1.88 -0.05 5.45 0.00 -1.88 0.37 119.26 134.77 1hho h ALA 53 Ca -0.43 0.02 -0.06 0.00 0.00 0.00 0.00 54.91 54.43 1hho h ALA 53 Cb 1.20 -0.11 0.00 0.00 0.00 0.00 0.00 17.79 18.89 1hho h ALA 53 CO 0.95 -0.13 -0.21 1.96 0.00 0.00 0.00 179.25 181.81 1hho h GLN 54 N 0.65 0.22 -0.24 0.00 4.20 -1.89 0.18 115.11 118.23 1hho h GLN 54 Ca 0.46 -0.18 -0.04 0.00 0.06 0.00 0.00 58.65 58.95 1hho h GLN 54 Cb 0.79 0.04 -0.01 0.00 0.30 0.00 0.00 27.48 28.59 1hho h GLN 54 CO -0.21 0.83 -0.01 0.28 -0.67 0.00 0.00 178.83 179.05 1hho h VAL 55 N -0.33 1.16 -0.42 -0.54 2.07 -1.71 -0.27 116.25 116.21 1hho h VAL 55 Ca -0.01 -0.62 0.00 0.00 0.82 0.00 0.00 66.70 66.89 1hho h VAL 55 Cb 0.87 1.00 -0.02 0.00 -1.52 0.00 0.00 31.29 31.62 1hho h VAL 55 CO 0.04 0.21 0.28 0.11 0.02 0.00 0.00 177.57 178.23 1hho h LYS 56 N 0.35 0.56 0.00 1.57 6.56 0.29 -1.70 116.57 124.19 1hho h LYS 56 Ca 0.08 -0.04 0.00 0.00 -1.06 0.00 0.00 60.65 59.63 1hho h LYS 56 Cb 0.26 -0.12 0.00 0.00 -0.57 0.00 0.00 32.23 31.79 1hho h LYS 56 CO 0.01 0.38 0.00 0.41 -2.06 0.00 0.00 179.45 178.18 1hho n GLY 57 N -1.19 -1.63 0.09 3.86 0.00 0.57 -2.76 105.19 104.12 1hho n GLY 57 Ca 0.01 -0.04 -0.17 0.00 0.00 0.00 0.00 46.02 45.82 1hho n GLY 57 CO 0.00 0.00 0.00 0.84 0.00 0.00 0.00 173.32 174.16 1hho h HIS 58 N 0.00 0.20 -0.76 1.61 -0.00 -0.40 -3.10 115.15 112.71 1hho h HIS 58 Ca 0.00 -0.15 0.21 0.00 -0.00 0.00 0.00 60.37 60.44 1hho h HIS 58 Cb 0.66 -0.01 -0.14 0.00 -0.00 0.00 0.00 27.41 27.92 1hho h HIS 58 CO 0.00 1.19 0.04 0.41 -0.00 0.00 0.00 177.93 179.57 1hho n GLY 59 N 1.62 -1.01 0.31 5.26 0.00 -0.70 -0.40 105.19 110.28 1hho n GLY 59 Ca -0.15 0.74 -0.08 0.00 0.00 0.00 0.00 46.02 46.52 1hho n GLY 59 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 1hho h LYS 60 N 0.00 1.10 -0.06 1.61 1.57 -1.44 0.13 116.57 119.48 1hho h LYS 60 Ca 0.47 -0.31 -0.04 0.00 -1.87 0.00 0.00 60.65 58.90 1hho h LYS 60 Cb 0.99 -0.12 0.00 0.00 0.08 0.00 0.00 32.23 33.18 1hho h LYS 60 CO -0.71 1.02 -0.12 0.87 -0.57 0.00 0.00 179.45 179.95 1hho h LYS 61 N 1.01 0.19 -0.24 3.15 1.57 -0.78 -0.93 116.57 120.54 1hho h LYS 61 Ca 0.19 -0.12 0.03 0.00 -1.87 0.00 0.00 60.65 58.88 1hho h LYS 61 Cb 0.48 0.02 -0.03 0.00 0.08 0.00 0.00 32.23 32.78 1hho h LYS 61 CO 0.02 0.71 0.07 0.28 -0.57 0.00 0.00 179.45 179.96 1hho h VAL 62 N -0.31 0.92 -0.71 0.50 2.07 -0.52 -1.10 116.25 117.11 1hho h VAL 62 Ca 0.00 -0.06 0.02 0.00 0.82 0.00 0.00 66.70 67.48 1hho h VAL 62 Cb 0.70 0.73 -0.04 0.00 -1.52 0.00 0.00 31.29 31.16 1hho h VAL 62 CO 0.03 0.03 0.45 0.00 0.02 0.00 0.00 177.57 178.10 1hho h ALA 63 N 1.16 0.91 -0.63 1.67 0.00 -0.62 0.65 119.26 122.41 1hho h ALA 63 Ca 0.11 -0.03 -0.04 0.00 0.00 0.00 0.00 54.91 54.94 1hho h ALA 63 Cb 0.09 -0.25 -0.03 0.00 0.00 0.00 0.00 17.79 17.60 1hho h ALA 63 CO -0.12 0.26 0.22 -0.44 0.00 0.00 0.00 179.25 179.16 1hho h ASP 64 N 0.90 0.87 1.13 0.00 3.32 -1.02 -1.52 116.42 120.10 1hho h ASP 64 Ca 0.27 -0.13 -0.07 0.00 0.02 0.00 0.00 57.03 57.12 1hho h ASP 64 Cb -0.03 -0.22 -0.01 0.00 0.22 0.00 0.00 39.33 39.29 1hho h ASP 64 CO -0.09 0.80 -0.34 0.00 -1.72 0.00 0.00 179.24 177.89 1hho h ALA 65 N 1.32 0.90 -0.20 3.45 0.00 0.38 -0.88 119.26 124.23 1hho h ALA 65 Ca 0.21 -0.31 -0.17 0.00 0.00 0.00 0.00 54.91 54.64 1hho h ALA 65 Cb 0.23 -0.05 -0.00 0.00 0.00 0.00 0.00 17.79 17.96 1hho h ALA 65 CO -0.01 0.42 -0.56 -0.07 0.00 0.00 0.00 179.25 179.03 1hho h LEU 66 N 0.00 0.70 -0.51 0.00 3.38 -0.57 -1.29 115.31 117.02 1hho h LEU 66 Ca -0.00 -0.38 -0.16 0.00 0.09 0.00 0.00 57.88 57.43 1hho h LEU 66 Cb 1.00 -0.20 -0.02 0.00 0.09 0.00 0.00 40.66 41.53 1hho h LEU 66 CO 0.04 1.11 -0.73 0.74 0.09 0.00 0.00 178.44 179.69 1hho h THR 67 N 0.48 1.48 -0.20 0.22 2.02 -0.86 -0.77 112.91 115.27 1hho h THR 67 Ca 0.01 -2.38 -0.17 0.00 0.77 0.00 0.00 66.41 64.64 1hho h THR 67 Cb 1.12 2.28 -0.00 0.00 -1.74 0.00 0.00 68.15 69.80 1hho h THR 67 CO 0.11 0.69 -0.56 -1.13 0.37 0.00 0.00 175.52 174.99 1hho h ASN 68 N 0.08 0.69 -0.52 4.18 -0.73 -1.16 -1.96 115.58 116.15 1hho h ASN 68 Ca -0.02 -0.37 -0.02 0.00 1.87 0.00 0.00 56.30 57.76 1hho h ASN 68 Cb 1.29 -0.20 -0.02 0.00 0.27 0.00 0.00 38.32 39.66 1hho h ASN 68 CO 0.10 1.11 0.25 0.00 -0.37 0.00 0.00 177.43 178.52 1hho h ALA 69 N 0.91 0.67 -0.72 1.57 0.00 -0.60 -3.23 119.26 117.86 1hho h ALA 69 Ca 0.01 -0.13 0.03 0.00 0.00 0.00 0.00 54.91 54.82 1hho h ALA 69 Cb 1.12 -0.21 -0.04 0.00 0.00 0.00 0.00 17.79 18.66 1hho h ALA 69 CO 0.11 0.24 0.45 0.28 0.00 0.00 0.00 179.25 180.33 1hho h VAL 70 N 0.70 1.10 -3.48 0.00 2.07 -0.95 0.30 116.25 115.98 1hho h VAL 70 Ca 0.18 -0.30 -0.77 0.00 0.82 0.00 0.00 66.70 66.62 1hho h VAL 70 Cb 0.13 0.14 -0.24 0.00 -1.52 0.00 0.00 31.29 29.79 1hho h VAL 70 CO -0.02 0.16 0.31 0.00 0.02 0.00 0.00 177.57 178.04 1hho s ALA 71 N -6.12 3.99 0.00 1.67 0.00 -0.75 -3.09 121.76 117.46 1hho s ALA 71 Ca -0.13 -3.26 0.00 0.00 0.00 0.00 0.00 51.96 48.58 1hho s ALA 71 Cb 0.15 -3.65 0.00 0.00 0.00 0.00 0.00 23.12 19.63 1hho s ALA 71 CO 0.77 -2.43 0.00 0.72 0.00 0.00 0.00 175.76 174.82 1hho n HIS 72 N 4.43 0.00 -0.35 0.00 -0.00 -1.24 -4.63 115.22 113.44 1hho n HIS 72 Ca 0.17 0.00 0.35 0.00 -0.00 0.00 0.00 57.72 58.25 1hho n HIS 72 Cb 0.47 0.00 0.73 0.00 -0.00 0.00 0.00 29.99 31.19 1hho n HIS 72 CO 0.00 0.00 0.00 -0.24 -0.00 0.00 0.00 176.34 176.10 1hho h VAL 73 N 0.00 0.38 -0.47 1.59 3.04 -0.33 0.41 116.25 120.86 1hho h VAL 73 Ca 0.00 -0.02 0.00 0.00 -1.01 0.00 0.00 66.70 65.67 1hho h VAL 73 Cb 0.00 0.33 0.00 0.00 -2.01 0.00 0.00 31.29 29.61 1hho h VAL 73 CO 0.00 0.01 0.00 0.47 -1.01 0.00 0.00 177.57 177.04 1hho n ASP 74 N -4.23 2.81 -2.55 3.17 10.43 -1.26 -3.89 116.55 121.03 1hho n ASP 74 Ca 0.27 -2.08 -0.04 0.00 2.57 0.00 0.00 54.79 55.51 1hho n ASP 74 Cb 1.27 -0.37 0.09 0.00 1.84 0.00 0.00 41.12 43.95 1hho n ASP 74 CO 0.00 0.00 0.00 -0.67 -1.07 0.00 0.00 177.20 175.46 1hho n ASP 75 N 0.86 -1.43 -0.13 -2.24 4.64 0.11 -5.01 116.55 113.36 1hho n ASP 75 Ca 0.17 -2.08 -0.07 0.00 -1.38 0.00 0.00 54.79 51.43 1hho n ASP 75 Cb 0.47 0.80 0.01 0.00 -1.04 0.00 0.00 41.12 41.37 1hho n ASP 75 CO 0.00 0.00 0.00 0.24 -0.82 0.00 0.00 177.20 176.62 1hho h MET 76 N 1.32 0.46 -0.69 -0.67 2.86 -0.87 -2.70 114.93 114.65 1hho h MET 76 Ca -0.36 -0.03 0.09 0.00 -2.06 0.00 0.00 59.70 57.35 1hho h MET 76 Cb 1.26 -0.10 -0.11 0.00 0.06 0.00 0.00 31.60 32.70 1hho h MET 76 CO -0.13 0.31 -0.47 -1.00 1.06 0.00 0.00 176.91 176.68 1hho h PRO 77 N 0.48 -0.17 0.00 -0.22 0.13 -1.92 0.33 132.00 130.63 1hho h PRO 77 Ca 0.16 0.01 -0.06 0.00 -0.87 0.00 0.00 66.00 65.24 1hho h PRO 77 Cb 0.01 0.04 -0.01 0.00 0.13 0.00 0.00 31.00 31.17 1hho h PRO 77 CO -0.08 -0.12 -0.29 -0.97 -0.23 0.00 0.00 178.00 176.31 1hho h ASN 78 N -0.18 0.00 0.71 1.44 -1.24 -1.96 -2.41 115.58 111.94 1hho h ASN 78 Ca 0.18 0.00 -0.26 0.00 0.71 0.00 0.00 56.30 56.93 1hho h ASN 78 Cb 0.54 0.00 -0.01 0.00 0.73 0.00 0.00 38.32 39.58 1hho h ASN 78 CO -0.76 0.29 -1.24 0.00 -1.29 0.00 0.00 177.43 174.44 1hho h ALA 79 N 1.71 0.24 -0.62 1.57 0.00 -0.60 -3.18 119.26 118.37 1hho h ALA 79 Ca -0.00 -0.96 0.00 0.00 0.00 0.00 0.00 54.91 53.95 1hho h ALA 79 Cb 0.67 0.03 0.00 0.00 0.00 0.00 0.00 17.79 18.49 1hho h ALA 79 CO 0.04 1.12 0.00 1.28 0.00 0.00 0.00 179.25 181.69 1hho n LEU 80 N -3.44 4.09 -0.23 0.00 4.77 0.95 -4.55 117.00 118.60 1hho n LEU 80 Ca -0.08 -2.21 -0.06 0.00 -0.03 0.00 0.00 56.01 53.63 1hho n LEU 80 Cb 1.00 -0.48 -0.05 0.00 -2.33 0.00 0.00 43.42 41.55 1hho n LEU 80 CO 0.51 0.87 0.38 -1.54 -1.33 0.00 0.00 177.39 176.27 1hho n SER 81 N 1.16 -0.58 0.08 -1.43 3.41 -0.91 -1.11 113.62 114.24 1hho n SER 81 Ca 0.23 1.20 -0.09 0.00 -0.26 0.00 0.00 58.87 59.95 1hho n SER 81 Cb 0.70 -0.24 -0.00 0.00 -0.26 0.00 0.00 64.21 64.41 1hho n SER 81 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 1hho h ALA 82 N 0.04 0.52 0.00 7.33 0.00 -1.85 -2.92 119.26 122.38 1hho h ALA 82 Ca 0.09 -0.69 -0.01 0.00 0.00 0.00 0.00 54.91 54.30 1hho h ALA 82 Cb 0.22 -0.06 -0.00 0.00 0.00 0.00 0.00 17.79 17.95 1hho h ALA 82 CO -0.51 0.86 -0.05 -0.07 0.00 0.00 0.00 179.25 179.48 1hho h LEU 83 N 0.16 0.00 -0.15 0.00 3.38 -1.78 -1.25 115.31 115.66 1hho h LEU 83 Ca -0.05 0.00 -0.00 0.00 0.09 0.00 0.00 57.88 57.92 1hho h LEU 83 Cb 1.46 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 42.20 1hho h LEU 83 CO 0.14 0.05 0.09 0.28 0.09 0.00 0.00 178.44 179.08 1hho h SER 84 N 0.00 0.18 0.10 -0.43 0.02 -0.94 0.13 113.55 112.61 1hho h SER 84 Ca -0.00 -0.07 -0.00 0.00 -0.84 0.00 0.00 61.79 60.88 1hho h SER 84 Cb 0.09 -0.05 0.00 0.00 0.14 0.00 0.00 62.40 62.59 1hho h SER 84 CO 0.01 0.20 -0.05 0.44 -1.14 0.00 0.00 176.83 176.29 1hho h ASP 85 N 0.15 -0.11 -0.61 3.07 3.32 -1.31 -1.30 116.42 119.63 1hho h ASP 85 Ca 0.05 -0.12 0.01 0.00 0.02 0.00 0.00 57.03 56.99 1hho h ASP 85 Cb 0.05 0.03 -0.03 0.00 0.22 0.00 0.00 39.33 39.60 1hho h ASP 85 CO -0.01 0.05 0.40 0.25 -1.72 0.00 0.00 179.24 178.21 1hho h LEU 86 N -0.27 0.70 0.21 1.55 7.12 -1.22 0.39 115.31 123.78 1hho h LEU 86 Ca -0.01 -0.02 -0.32 0.00 0.13 0.00 0.00 57.88 57.66 1hho h LEU 86 Cb 0.22 -0.18 0.02 0.00 -0.53 0.00 0.00 40.66 40.20 1hho h LEU 86 CO 0.02 0.51 -1.41 0.45 -0.13 0.00 0.00 178.44 177.88 1hho h HIS 87 N 0.83 0.79 0.05 1.25 3.86 -0.70 0.12 115.15 121.35 1hho h HIS 87 Ca 0.22 -0.58 -0.34 0.00 -1.16 0.00 0.00 60.37 58.51 1hho h HIS 87 Cb -0.09 -0.03 -0.04 0.00 1.06 0.00 0.00 27.41 28.31 1hho h HIS 87 CO -0.03 1.47 -1.97 0.00 0.86 0.00 0.00 177.93 178.26 1hho n ALA 88 N -2.66 1.22 0.01 2.45 0.00 -0.50 -0.83 120.51 120.20 1hho n ALA 88 Ca -0.14 -0.77 -0.01 0.00 0.00 0.00 0.00 53.44 52.51 1hho n ALA 88 Cb 1.08 -0.65 -0.01 0.00 0.00 0.00 0.00 19.45 19.87 1hho n ALA 88 CO 0.00 0.00 0.00 0.45 0.00 0.00 0.00 177.50 177.95 1hho h HIS 89 N 0.03 -0.07 0.09 0.00 3.86 -0.34 -3.26 115.15 115.45 1hho h HIS 89 Ca -0.40 -0.00 -0.23 0.00 -1.16 0.00 0.00 60.37 58.58 1hho h HIS 89 Cb 2.03 0.02 0.02 0.00 1.06 0.00 0.00 27.41 30.55 1hho h HIS 89 CO 0.04 -0.04 -0.95 -0.22 0.86 0.00 0.00 177.93 177.61 1hho h LYS 90 N -0.46 0.49 0.00 2.45 3.64 -1.56 -3.35 116.57 117.78 1hho h LYS 90 Ca -0.01 -0.64 -0.04 0.00 -1.27 0.00 0.00 60.65 58.69 1hho h LYS 90 Cb 0.06 0.21 -0.01 0.00 -0.41 0.00 0.00 32.23 32.08 1hho h LYS 90 CO 0.01 1.27 -1.77 1.28 -2.27 0.00 0.00 179.45 177.97 1hho n LEU 91 N -4.00 0.24 -3.55 5.20 4.77 0.40 -5.00 117.00 115.06 1hho n LEU 91 Ca -0.13 0.09 -0.21 0.00 -0.03 0.00 0.00 56.01 55.73 1hho n LEU 91 Cb 0.85 0.03 0.05 0.00 -2.33 0.00 0.00 43.42 42.02 1hho n LEU 91 CO 0.53 0.00 -0.02 0.54 -1.33 0.00 0.00 177.39 177.11 1hho n ARG 92 N -2.42 -3.72 -2.53 3.23 5.12 -0.01 -4.92 116.66 111.40 1hho n ARG 92 Ca -0.06 0.68 -0.41 0.00 -1.93 0.00 0.00 57.85 56.13 1hho n ARG 92 Cb 0.62 -5.22 -0.04 0.00 -1.16 0.00 0.00 32.46 26.66 1hho n ARG 92 CO 0.00 0.00 0.00 0.08 -1.93 0.00 0.00 177.63 175.78 1hho s VAL 93 N -3.51 3.97 0.04 1.55 1.01 -0.56 -4.97 120.40 117.93 1hho s VAL 93 Ca 0.21 1.66 -0.31 0.00 0.00 0.00 0.00 61.98 63.55 1hho s VAL 93 Cb -0.05 -4.06 -0.06 0.00 0.00 0.00 0.00 36.38 32.21 1hho s VAL 93 CO 0.79 0.26 1.31 -0.62 0.00 0.00 0.00 175.10 176.85 1hho s ASP 94 N 0.04 6.94 0.61 3.32 -1.08 -1.26 -4.81 116.67 120.42 1hho s ASP 94 Ca 0.50 2.11 0.37 0.00 -0.52 0.00 0.00 52.55 55.00 1hho s ASP 94 Cb -0.29 -2.57 1.96 0.00 -1.46 0.00 0.00 42.92 40.56 1hho s ASP 94 CO 0.34 -0.61 2.23 -0.65 0.52 0.00 0.00 175.17 177.00 1hho h PRO 95 N 7.19 0.00 0.00 4.34 0.11 -1.99 0.52 132.00 142.17 1hho h PRO 95 Ca -0.40 0.00 -0.03 0.00 0.11 0.00 0.00 66.00 65.68 1hho h PRO 95 Cb 1.20 0.00 -0.00 0.00 0.11 0.00 0.00 31.00 32.30 1hho h PRO 95 CO 0.86 0.03 -0.16 -0.24 -0.21 0.00 0.00 178.00 178.28 1hho h VAL 96 N 0.00 0.58 0.00 3.15 3.04 -2.02 -1.81 116.25 119.19 1hho h VAL 96 Ca -0.00 -0.73 -0.01 0.00 -1.01 0.00 0.00 66.70 64.94 1hho h VAL 96 Cb 0.15 1.48 -0.00 0.00 -2.01 0.00 0.00 31.29 30.91 1hho h VAL 96 CO 0.00 0.16 -0.07 0.78 -1.01 0.00 0.00 177.57 177.43 1hho h ASN 97 N 0.00 0.00 0.51 3.17 -0.26 -0.30 -1.17 115.58 117.52 1hho h ASN 97 Ca -0.00 0.00 -0.14 0.00 -0.56 0.00 0.00 56.30 55.60 1hho h ASN 97 Cb 0.47 0.00 -0.02 0.00 -1.06 0.00 0.00 38.32 37.71 1hho h ASN 97 CO 0.02 0.07 -0.62 -0.26 -1.06 0.00 0.00 177.43 175.58 1hho h PHE 98 N 0.00 0.14 -0.20 1.19 0.04 -1.42 -2.58 116.94 114.12 1hho h PHE 98 Ca -0.00 -0.06 -0.19 0.00 2.80 0.00 0.00 57.97 60.52 1hho h PHE 98 Cb 0.42 -0.02 0.00 0.00 2.20 0.00 0.00 35.95 38.55 1hho h PHE 98 CO 0.00 0.70 -0.65 0.87 -0.60 0.00 0.00 178.31 178.63 1hho h LYS 99 N 0.08 0.73 -0.25 1.51 1.57 -1.28 -2.49 116.57 116.43 1hho h LYS 99 Ca -0.01 -0.52 -0.14 0.00 -1.87 0.00 0.00 60.65 58.11 1hho h LYS 99 Cb 1.11 0.09 -0.01 0.00 0.08 0.00 0.00 32.23 33.50 1hho h LYS 99 CO 0.09 1.14 -0.42 -0.07 -0.57 0.00 0.00 179.45 179.62 1hho h LEU 100 N 0.53 0.65 -0.36 2.94 3.38 -1.39 -2.80 115.31 118.26 1hho h LEU 100 Ca -0.02 -0.30 -0.14 0.00 0.09 0.00 0.00 57.88 57.51 1hho h LEU 100 Cb 1.25 -0.18 -0.01 0.00 0.09 0.00 0.00 40.66 41.82 1hho h LEU 100 CO 0.13 0.99 -0.34 0.25 0.09 0.00 0.00 178.44 179.56 1hho h LEU 101 N 0.49 0.92 -1.32 1.67 5.85 -1.52 -2.05 115.31 119.36 1hho h LEU 101 Ca 0.04 -0.46 -0.04 0.00 0.84 0.00 0.00 57.88 58.25 1hho h LEU 101 Cb 0.94 -0.26 -0.02 0.00 0.37 0.00 0.00 40.66 41.70 1hho h LEU 101 CO 0.08 1.19 -0.01 0.28 -0.34 0.00 0.00 178.44 179.65 1hho h SER 102 N 0.66 0.41 -0.20 1.25 0.02 -1.37 0.21 113.55 114.53 1hho h SER 102 Ca 0.06 -0.07 -0.17 0.00 -0.84 0.00 0.00 61.79 60.76 1hho h SER 102 Cb 0.93 -0.11 0.00 0.00 0.14 0.00 0.00 62.40 63.36 1hho h SER 102 CO 0.09 0.48 -0.56 -0.74 -1.14 0.00 0.00 176.83 174.96 1hho h HIS 103 N 0.43 0.94 -0.28 3.45 -0.00 -1.48 -2.13 115.15 116.08 1hho h HIS 103 Ca 0.09 -0.37 -0.13 0.00 -0.00 0.00 0.00 60.37 59.96 1hho h HIS 103 Cb 0.30 -0.16 -0.01 0.00 -0.00 0.00 0.00 27.41 27.54 1hho h HIS 103 CO 0.01 1.17 -0.38 0.00 -0.00 0.00 0.00 177.93 178.73 1hho h LEU 105 N 0.53 -0.41 -0.06 0.00 4.07 -0.78 0.68 115.31 119.35 1hho h LEU 105 Ca 0.05 0.19 -0.04 0.00 0.08 0.00 0.00 57.88 58.16 1hho h LEU 105 Cb 0.90 0.36 0.00 0.00 1.08 0.00 0.00 40.66 42.99 1hho h LEU 105 CO 0.08 -0.18 -0.11 -0.07 -1.08 0.00 0.00 178.44 177.07 1hho h LEU 106 N 0.08 0.20 -1.00 1.67 3.38 -0.74 0.16 115.31 119.05 1hho h LEU 106 Ca 0.38 -0.57 0.31 0.00 0.09 0.00 0.00 57.88 58.09 1hho h LEU 106 Cb 0.64 -0.06 -0.15 0.00 0.09 0.00 0.00 40.66 41.19 1hho h LEU 106 CO -0.66 0.73 0.56 0.58 0.09 0.00 0.00 178.44 179.74 1hho h VAL 107 N -0.33 0.34 0.05 1.22 2.07 -1.40 0.12 116.25 118.31 1hho h VAL 107 Ca 0.00 -0.12 -0.24 0.00 0.82 0.00 0.00 66.70 67.16 1hho h VAL 107 Cb 0.70 -0.06 0.00 0.00 -1.52 0.00 0.00 31.29 30.41 1hho h VAL 107 CO 0.03 0.07 -1.04 0.74 0.02 0.00 0.00 177.57 177.38 1hho h THR 108 N 0.36 1.45 0.06 2.57 2.02 -0.49 -1.31 112.91 117.56 1hho h THR 108 Ca 0.72 -2.68 -0.00 0.00 0.77 0.00 0.00 66.41 65.21 1hho h THR 108 Cb 1.59 2.61 0.00 0.00 -1.74 0.00 0.00 68.15 70.61 1hho h THR 108 CO -0.59 0.79 -0.03 -0.07 0.37 0.00 0.00 175.52 175.99 1hho h LEU 109 N 0.16 -0.07 -1.04 2.58 4.07 -0.06 -3.06 115.31 117.89 1hho h LEU 109 Ca -0.10 -0.26 0.17 0.00 0.08 0.00 0.00 57.88 57.78 1hho h LEU 109 Cb 1.71 0.02 -0.10 0.00 1.08 0.00 0.00 40.66 43.37 1hho h LEU 109 CO 0.17 0.22 0.62 0.00 -1.08 0.00 0.00 178.44 178.37 1hho h ALA 110 N 0.55 1.67 -0.00 1.53 0.00 -0.88 0.46 119.26 122.58 1hho h ALA 110 Ca -0.01 0.06 0.00 0.00 0.00 0.00 0.00 54.91 54.96 1hho h ALA 110 Cb 0.32 -0.12 0.00 0.00 0.00 0.00 0.00 17.79 18.00 1hho h ALA 110 CO 0.01 0.00 -0.08 0.00 0.00 0.00 0.00 179.25 179.18 1hho n ALA 111 N -2.35 2.58 -0.01 0.00 0.00 -0.50 -3.54 120.51 116.69 1hho n ALA 111 Ca 0.22 -0.16 -0.01 0.00 0.00 0.00 0.00 53.44 53.49 1hho n ALA 111 Cb 0.52 -1.41 -0.03 0.00 0.00 0.00 0.00 19.45 18.53 1hho n ALA 111 CO 0.00 0.00 0.00 0.72 0.00 0.00 0.00 177.50 178.22 1hho n HIS 112 N -1.41 0.00 -3.20 0.00 -0.00 -0.36 -4.92 115.22 105.33 1hho n HIS 112 Ca 0.09 0.00 -0.22 0.00 -0.00 0.00 0.00 57.72 57.58 1hho n HIS 112 Cb 0.32 -0.14 -0.06 0.00 -0.00 0.00 0.00 29.99 30.11 1hho n HIS 112 CO 0.00 0.00 0.00 1.28 -0.00 0.00 0.00 176.34 177.62 1hho n LEU 113 N -1.98 0.96 0.07 2.41 4.77 0.15 -4.98 117.00 118.40 1hho n LEU 113 Ca -0.04 -4.92 0.13 0.00 -0.03 0.00 0.00 56.01 51.15 1hho n LEU 113 Cb 0.46 0.48 0.42 0.00 -2.33 0.00 0.00 43.42 42.45 1hho n LEU 113 CO 0.07 2.16 0.82 -0.81 -1.33 0.00 0.00 177.39 178.30 1hho n PRO 114 N 0.88 0.20 -0.04 3.23 -0.04 -1.26 -1.39 135.00 136.58 1hho n PRO 114 Ca 0.24 0.14 -0.14 0.00 -0.04 0.00 0.00 63.50 63.70 1hho n PRO 114 Cb 0.55 -1.71 -0.08 0.00 -0.04 0.00 0.00 33.50 32.22 1hho n PRO 114 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 1hho h ALA 115 N 2.64 0.18 0.05 0.55 0.00 -1.94 -3.36 119.26 117.38 1hho h ALA 115 Ca 0.00 -0.38 -0.25 0.00 0.00 0.00 0.00 54.91 54.28 1hho h ALA 115 Cb 0.68 -0.03 -0.02 0.00 0.00 0.00 0.00 17.79 18.42 1hho h ALA 115 CO 0.00 0.14 -1.23 0.93 0.00 0.00 0.00 179.25 179.09 1hho h GLU 116 N -0.09 0.12 -2.46 0.00 4.39 -1.93 -3.39 114.58 111.23 1hho h GLU 116 Ca 0.00 -0.20 -0.48 0.00 0.34 0.00 0.00 59.36 59.03 1hho h GLU 116 Cb 0.82 0.07 -0.05 0.00 -0.10 0.00 0.00 28.75 29.49 1hho h GLU 116 CO 0.05 1.03 1.68 0.34 -1.16 0.00 0.00 179.01 180.95 1hho n PHE 117 N -3.39 1.43 -1.65 4.33 7.35 -0.49 -4.75 117.46 120.30 1hho n PHE 117 Ca -0.07 -2.33 -0.35 0.00 -0.76 0.00 0.00 57.45 53.95 1hho n PHE 117 Cb 0.99 -1.95 0.07 0.00 0.35 0.00 0.00 39.48 38.94 1hho n PHE 117 CO 0.00 0.00 0.00 0.95 -0.76 0.00 0.00 176.76 176.95 1hho s THR 118 N 0.80 2.45 0.47 -2.13 -4.23 -1.26 -4.73 115.64 107.02 1hho s THR 118 Ca 0.66 0.24 0.35 0.00 -1.18 0.00 0.00 61.69 61.76 1hho s THR 118 Cb 0.26 -2.90 0.55 0.00 1.34 0.00 0.00 72.50 71.75 1hho s THR 118 CO -0.06 -0.10 1.63 -0.65 -0.54 0.00 0.00 174.62 174.90 1hho h PRO 119 N 0.13 0.06 0.00 3.99 0.11 -1.98 0.62 132.00 134.93 1hho h PRO 119 Ca -0.49 -0.00 -0.07 0.00 0.11 0.00 0.00 66.00 65.55 1hho h PRO 119 Cb 1.30 -0.01 -0.01 0.00 0.11 0.00 0.00 31.00 32.38 1hho h PRO 119 CO 0.52 0.04 -0.98 0.00 -0.21 0.00 0.00 178.00 177.37 1hho h ALA 120 N 1.44 0.63 0.00 -0.75 0.00 -1.96 -2.53 119.26 116.10 1hho h ALA 120 Ca 0.82 -0.35 -0.24 0.00 0.00 0.00 0.00 54.91 55.14 1hho h ALA 120 Cb 2.80 0.09 -0.04 0.00 0.00 0.00 0.00 17.79 20.64 1hho h ALA 120 CO -0.28 0.39 -1.43 0.28 0.00 0.00 0.00 179.25 178.20 1hho h VAL 121 N 0.00 0.95 -0.46 0.00 2.07 -0.92 -2.51 116.25 115.39 1hho h VAL 121 Ca -0.06 -2.68 0.01 0.00 0.82 0.00 0.00 66.70 64.80 1hho h VAL 121 Cb 1.25 2.43 -0.03 0.00 -1.52 0.00 0.00 31.29 33.42 1hho h VAL 121 CO 0.02 0.54 0.29 -0.74 0.02 0.00 0.00 177.57 177.71 1hho h HIS 122 N 0.00 0.55 -0.52 1.57 6.17 0.02 0.42 115.15 123.36 1hho h HIS 122 Ca -0.19 0.01 -0.01 0.00 0.71 0.00 0.00 60.37 60.90 1hho h HIS 122 Cb 1.84 -0.18 -0.02 0.00 2.52 0.00 0.00 27.41 31.57 1hho h HIS 122 CO 0.00 0.33 0.29 0.00 0.71 0.00 0.00 177.93 179.26 1hho h ALA 123 N 1.19 0.67 -0.20 5.26 0.00 -1.47 0.27 119.26 124.96 1hho h ALA 123 Ca 0.18 -0.09 -0.11 0.00 0.00 0.00 0.00 54.91 54.89 1hho h ALA 123 Cb -0.03 -0.21 -0.01 0.00 0.00 0.00 0.00 17.79 17.54 1hho h ALA 123 CO -0.06 0.18 -0.33 0.77 0.00 0.00 0.00 179.25 179.82 1hho h SER 124 N 0.69 0.43 0.00 0.00 0.02 -1.07 -2.03 113.55 111.59 1hho h SER 124 Ca 0.18 -0.16 -0.00 0.00 -0.84 0.00 0.00 61.79 60.97 1hho h SER 124 Cb 0.04 -0.12 0.00 0.00 0.14 0.00 0.00 62.40 62.46 1hho h SER 124 CO -0.03 0.74 -0.00 -0.07 -1.14 0.00 0.00 176.83 176.33 1hho h LEU 125 N 0.36 -0.00 -0.78 5.07 4.07 -0.75 0.31 115.31 123.60 1hho h LEU 125 Ca 0.04 -0.91 0.14 0.00 0.08 0.00 0.00 57.88 57.24 1hho h LEU 125 Cb 0.75 0.00 -0.14 0.00 1.08 0.00 0.00 40.66 42.35 1hho h LEU 125 CO 0.06 0.91 -0.30 -0.78 -1.08 0.00 0.00 178.44 177.25 1hho h ASP 126 N -0.93 -1.08 -0.23 -0.43 1.82 -0.91 0.48 116.42 115.14 1hho h ASP 126 Ca -0.00 0.26 -0.02 0.00 -0.39 0.00 0.00 57.03 56.88 1hho h ASP 126 Cb 0.91 0.60 -0.01 0.00 0.68 0.00 0.00 39.33 41.50 1hho h ASP 126 CO 0.00 -0.29 0.08 0.11 -1.61 0.00 0.00 179.24 177.53 1hho h LYS 127 N -0.06 0.35 -0.92 0.28 1.57 -1.32 0.86 116.57 117.33 1hho h LYS 127 Ca 0.32 -0.07 0.06 0.00 -1.87 0.00 0.00 60.65 59.09 1hho h LYS 127 Cb 0.58 -0.05 -0.06 0.00 0.08 0.00 0.00 32.23 32.78 1hho h LYS 127 CO -0.82 0.42 0.59 0.35 -0.57 0.00 0.00 179.45 179.41 1hho h PHE 128 N 0.21 1.09 0.00 -1.35 3.57 0.22 -1.94 116.94 118.73 1hho h PHE 128 Ca 0.07 0.03 -0.05 0.00 3.53 0.00 0.00 57.97 61.56 1hho h PHE 128 Cb 0.21 -0.36 -0.01 0.00 2.79 0.00 0.00 35.95 38.58 1hho h PHE 128 CO -0.00 0.57 -0.21 -0.07 -2.23 0.00 0.00 178.31 176.36 1hho h LEU 129 N 1.08 0.00 -1.23 0.59 3.38 0.11 0.47 115.31 119.71 1hho h LEU 129 Ca 0.39 0.00 -0.07 0.00 0.09 0.00 0.00 57.88 58.30 1hho h LEU 129 Cb 0.14 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 40.88 1hho h LEU 129 CO -0.16 0.21 -0.33 0.00 0.09 0.00 0.00 178.44 178.26 1hho h ALA 130 N 1.79 1.16 0.17 1.53 0.00 -0.18 -2.21 119.26 121.51 1hho h ALA 130 Ca -0.00 -0.30 -0.32 0.00 0.00 0.00 0.00 54.91 54.29 1hho h ALA 130 Cb 0.88 -0.05 0.01 0.00 0.00 0.00 0.00 17.79 18.63 1hho h ALA 130 CO 0.03 0.41 -1.54 0.77 0.00 0.00 0.00 179.25 178.91 1hho h SER 131 N 0.00 0.56 -0.66 0.00 0.02 -0.21 -1.15 113.55 112.11 1hho h SER 131 Ca -0.00 -0.72 0.03 0.00 -0.84 0.00 0.00 61.79 60.26 1hho h SER 131 Cb 0.72 -0.18 -0.04 0.00 0.14 0.00 0.00 62.40 63.03 1hho h SER 131 CO 0.04 1.59 0.40 0.58 -1.14 0.00 0.00 176.83 178.30 1hho h VAL 132 N 0.10 1.07 -0.49 2.27 2.07 -1.31 -1.30 116.25 118.67 1hho h VAL 132 Ca -0.26 -0.27 -0.11 0.00 0.82 0.00 0.00 66.70 66.88 1hho h VAL 132 Cb 2.07 0.22 -0.02 0.00 -1.52 0.00 0.00 31.29 32.04 1hho h VAL 132 CO 0.20 0.14 -0.14 0.28 0.02 0.00 0.00 177.57 178.07 1hho h SER 133 N 0.79 0.93 -0.58 0.57 0.02 -1.28 -0.82 113.55 113.19 1hho h SER 133 Ca 0.27 -0.31 -0.07 0.00 -0.84 0.00 0.00 61.79 60.83 1hho h SER 133 Cb 0.04 -0.25 -0.02 0.00 0.14 0.00 0.00 62.40 62.30 1hho h SER 133 CO -0.11 1.07 0.07 0.74 -1.14 0.00 0.00 176.83 177.46 1hho h THR 134 N 0.82 1.26 -0.07 -2.27 2.02 -0.99 -2.10 112.91 111.58 1hho h THR 134 Ca 0.13 -1.02 0.02 0.00 0.77 0.00 0.00 66.41 66.31 1hho h THR 134 Cb 0.68 0.79 -0.02 0.00 -1.74 0.00 0.00 68.15 67.86 1hho h THR 134 CO 0.05 0.37 -0.04 0.58 0.37 0.00 0.00 175.52 176.85 1hho h VAL 135 N 0.87 0.87 0.00 3.16 2.07 -1.08 -2.69 116.25 119.44 1hho h VAL 135 Ca 0.17 0.00 0.00 0.00 0.82 0.00 0.00 66.70 67.69 1hho h VAL 135 Cb 0.45 0.87 0.00 0.00 -1.52 0.00 0.00 31.29 31.09 1hho h VAL 135 CO 0.02 0.00 0.00 0.18 0.02 0.00 0.00 177.57 177.79 1hho n LEU 136 N -5.16 0.00 -0.01 2.57 4.77 -0.33 -2.58 117.00 116.26 1hho n LEU 136 Ca -0.05 0.00 0.02 0.00 -0.03 0.00 0.00 56.01 55.95 1hho n LEU 136 Cb 0.09 0.00 0.03 0.00 -2.33 0.00 0.00 43.42 41.21 1hho n LEU 136 CO 0.29 0.00 0.51 0.35 -1.33 0.00 0.00 177.39 177.20 1hho n THR 137 N -0.92 1.14 1.27 -5.08 -2.24 -0.84 -4.15 114.28 103.46 1hho n THR 137 Ca 0.19 -1.21 0.13 0.00 -2.27 0.00 0.00 64.05 60.89 1hho n THR 137 Cb 0.09 0.37 0.42 0.00 -2.10 0.00 0.00 70.33 69.11 1hho n THR 137 CO 0.00 0.00 0.00 -1.54 -0.57 0.00 0.00 175.07 172.96 1hho n SER 138 N -0.66 0.92 -0.48 3.42 3.41 -1.03 -1.79 113.62 117.41 1hho n SER 138 Ca 0.03 -0.83 0.13 0.00 -0.26 0.00 0.00 58.87 57.94 1hho n SER 138 Cb 0.33 0.10 0.37 0.00 -0.26 0.00 0.00 64.21 64.75 1hho n SER 138 CO 0.00 0.00 0.00 1.17 -0.16 0.00 0.00 175.04 176.05 1hho n LYS 139 N -0.71 1.47 0.16 4.33 4.81 -1.26 -3.04 118.16 123.92 1hho n LYS 139 Ca 0.13 -0.96 0.13 0.00 -0.87 0.00 0.00 58.31 56.74 1hho n LYS 139 Cb 0.34 -1.48 0.40 0.00 0.02 0.00 0.00 35.03 34.30 1hho n LYS 139 CO 0.00 0.00 0.00 1.88 1.17 0.00 0.00 177.40 180.45 1hho h TYR 140 N 2.35 0.00 -0.03 5.64 0.99 -1.70 -3.49 116.97 120.73 1hho h TYR 140 Ca 0.00 0.00 0.00 0.00 2.00 0.00 0.00 58.73 60.73 1hho h TYR 140 Cb 0.59 0.00 0.00 0.00 1.00 0.00 0.00 36.73 38.32 1hho h TYR 140 CO 0.00 0.00 0.00 0.54 -0.00 0.00 0.00 178.16 178.70