#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3dht n LEU 2 N 0.00 -5.62 0.00 6.55 4.77 -1.26 -5.04 117.00 116.40 3dht n LEU 2 Ca 0.00 2.05 -0.22 0.00 -0.03 0.00 0.00 56.01 57.81 3dht n LEU 2 Cb 0.00 -3.00 0.18 0.00 -2.33 0.00 0.00 43.42 38.27 3dht n LEU 2 CO 0.00 -3.51 0.53 -1.54 -1.33 0.00 0.00 177.39 171.53 3dht n SER 3 N 1.50 -1.18 0.10 -1.43 3.41 -1.26 -4.79 113.62 109.97 3dht n SER 3 Ca -0.36 -1.12 -0.01 0.00 -0.26 0.00 0.00 58.87 57.12 3dht n SER 3 Cb 0.56 -0.76 0.27 0.00 -0.26 0.00 0.00 64.21 64.03 3dht n SER 3 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 3dht h ALA 4 N -2.31 1.23 -0.60 7.33 0.00 -1.99 -1.26 119.26 121.66 3dht h ALA 4 Ca -0.31 -0.35 -0.07 0.00 0.00 0.00 0.00 54.91 54.18 3dht h ALA 4 Cb 0.92 -0.09 -0.03 0.00 0.00 0.00 0.00 17.79 18.60 3dht h ALA 4 CO 0.21 0.52 0.10 -0.44 0.00 0.00 0.00 179.25 179.64 3dht h ASP 5 N 0.21 0.91 -0.17 0.00 5.19 -1.99 -2.03 116.42 118.54 3dht h ASP 5 Ca 0.03 -0.20 -0.06 0.00 -0.62 0.00 0.00 57.03 56.17 3dht h ASP 5 Cb 0.68 -0.24 -0.00 0.00 0.18 0.00 0.00 39.33 39.95 3dht h ASP 5 CO 0.05 0.91 -0.15 0.44 -3.12 0.00 0.00 179.24 177.38 3dht h ASP 6 N 0.91 0.42 -0.74 6.45 3.32 -1.84 -1.39 116.42 123.55 3dht h ASP 6 Ca 0.19 -0.47 0.08 0.00 0.02 0.00 0.00 57.03 56.85 3dht h ASP 6 Cb 0.39 -0.12 -0.07 0.00 0.22 0.00 0.00 39.33 39.76 3dht h ASP 6 CO 0.01 0.80 0.40 0.50 -1.72 0.00 0.00 179.24 179.23 3dht h LYS 7 N 0.05 0.67 0.00 3.56 1.63 -1.17 -2.08 116.57 119.24 3dht h LYS 7 Ca 0.03 -0.04 -0.22 0.00 -0.85 0.00 0.00 60.65 59.57 3dht h LYS 7 Cb 0.67 -0.15 -0.03 0.00 -0.60 0.00 0.00 32.23 32.12 3dht h LYS 7 CO 0.04 0.44 -1.19 1.79 -3.45 0.00 0.00 179.45 177.08 3dht h THR 8 N 0.69 1.27 -0.78 1.00 1.35 -1.39 -3.07 112.91 111.97 3dht h THR 8 Ca 0.35 -2.96 -0.01 0.00 -0.55 0.00 0.00 66.41 63.24 3dht h THR 8 Cb 0.31 2.61 -0.04 0.00 -1.73 0.00 0.00 68.15 69.30 3dht h THR 8 CO -0.24 0.72 0.45 0.78 -0.25 0.00 0.00 175.52 176.98 3dht h ASN 9 N 0.00 0.96 0.09 5.36 -0.26 -1.10 -2.48 115.58 118.14 3dht h ASN 9 Ca -0.10 -0.08 -0.00 0.00 -0.56 0.00 0.00 56.30 55.55 3dht h ASN 9 Cb 1.79 -0.24 0.00 0.00 -1.06 0.00 0.00 38.32 38.80 3dht h ASN 9 CO 0.10 0.77 -0.04 0.40 -1.06 0.00 0.00 177.43 177.59 3dht h ILE 10 N 1.08 0.94 -0.24 2.81 5.03 -1.41 -2.73 117.51 123.00 3dht h ILE 10 Ca 0.28 -0.10 -0.09 0.00 -0.12 0.00 0.00 64.86 64.82 3dht h ILE 10 Cb 0.00 1.01 -0.01 0.00 -3.03 0.00 0.00 36.82 34.79 3dht h ILE 10 CO -0.05 0.03 -0.23 0.11 -0.68 0.00 0.00 178.15 177.33 3dht h LYS 11 N -0.16 0.45 -0.12 2.37 1.57 -1.44 -0.88 116.57 118.35 3dht h LYS 11 Ca -0.01 -0.16 -0.00 0.00 -1.87 0.00 0.00 60.65 58.61 3dht h LYS 11 Cb 0.13 -0.03 -0.01 0.00 0.08 0.00 0.00 32.23 32.40 3dht h LYS 11 CO 0.02 0.65 0.07 -0.91 -0.57 0.00 0.00 179.45 178.71 3dht h ASN 12 N 0.40 0.14 0.59 0.86 4.21 -1.48 0.84 115.58 121.14 3dht h ASN 12 Ca 0.06 -0.07 -0.02 0.00 1.21 0.00 0.00 56.30 57.48 3dht h ASN 12 Cb 0.62 -0.04 -0.01 0.00 -1.12 0.00 0.00 38.32 37.77 3dht h ASN 12 CO 0.04 0.17 -0.46 0.00 -1.29 0.00 0.00 177.43 175.90 3dht h TRP 14 N -1.02 0.00 -0.04 0.00 6.55 -1.27 0.14 115.95 120.31 3dht h TRP 14 Ca -0.07 0.00 -0.15 0.00 0.95 0.00 0.00 58.89 59.62 3dht h TRP 14 Cb 0.85 0.00 -0.01 0.00 -0.86 0.00 0.00 29.16 29.14 3dht h TRP 14 CO -0.18 0.00 -0.66 0.78 -1.05 0.00 0.00 178.44 177.34 3dht h GLY 15 N 0.56 0.20 1.14 1.49 0.00 0.31 -3.27 103.07 103.50 3dht h GLY 15 Ca 0.00 -0.26 -0.29 0.00 0.00 0.00 0.00 47.33 46.78 3dht h GLY 15 CO 0.00 0.23 -1.60 0.50 0.00 0.00 0.00 176.54 175.68 3dht h LYS 16 N 0.13 0.06 0.00 4.80 1.57 0.17 -3.31 116.57 119.99 3dht h LYS 16 Ca -0.01 -0.10 -0.04 0.00 -1.87 0.00 0.00 60.65 58.62 3dht h LYS 16 Cb 1.18 0.04 -0.01 0.00 0.08 0.00 0.00 32.23 33.52 3dht h LYS 16 CO 0.10 0.73 -0.20 -0.84 -0.57 0.00 0.00 179.45 178.67 3dht h ILE 17 N 0.02 0.66 0.00 1.86 -2.65 -1.22 -3.46 117.51 112.72 3dht h ILE 17 Ca -0.25 -0.85 0.00 0.00 1.03 0.00 0.00 64.86 64.79 3dht h ILE 17 Cb 1.98 1.54 0.00 0.00 -2.05 0.00 0.00 36.82 38.29 3dht h ILE 17 CO 0.10 0.19 0.00 0.61 0.03 0.00 0.00 178.15 179.08 3dht n GLY 18 N -0.36 2.65 1.65 0.16 0.00 -1.23 -0.42 105.19 107.64 3dht n GLY 18 Ca -0.01 0.34 -0.04 0.00 0.00 0.00 0.00 46.02 46.31 3dht n GLY 18 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3dht n GLY 19 N 0.00 4.01 0.07 -0.02 0.00 -1.26 -4.01 105.19 103.98 3dht n GLY 19 Ca 0.00 -1.06 0.11 0.00 0.00 0.00 0.00 46.02 45.08 3dht n GLY 19 CO 0.00 0.00 0.00 1.42 0.00 0.00 0.00 173.32 174.74 3dht n HIS 20 N -0.46 0.57 -0.29 1.61 8.25 0.44 -4.37 115.22 120.97 3dht n HIS 20 Ca 0.37 0.17 0.13 0.00 -0.26 0.00 0.00 57.72 58.13 3dht n HIS 20 Cb 1.25 -0.73 0.26 0.00 1.12 0.00 0.00 29.99 31.89 3dht n HIS 20 CO 0.00 0.00 0.00 0.41 0.64 0.00 0.00 176.34 177.39 3dht n GLY 21 N 1.24 -1.12 0.34 -1.41 0.00 -1.24 -0.08 105.19 102.92 3dht n GLY 21 Ca -0.01 0.82 -0.15 0.00 0.00 0.00 0.00 46.02 46.68 3dht n GLY 21 CO 0.00 0.00 0.00 -1.33 0.00 0.00 0.00 173.32 171.99 3dht h GLY 22 N 0.00 -0.73 2.00 -0.02 0.00 -1.87 0.49 103.07 102.93 3dht h GLY 22 Ca 0.52 0.36 -0.04 0.00 0.00 0.00 0.00 47.33 48.18 3dht h GLY 22 CO -0.78 -0.28 -0.17 1.05 0.00 0.00 0.00 176.54 176.36 3dht h GLU 23 N -0.67 0.00 0.16 4.80 4.11 -0.94 -2.34 114.58 119.70 3dht h GLU 23 Ca -0.02 0.00 -0.01 0.00 0.07 0.00 0.00 59.36 59.40 3dht h GLU 23 Cb 0.60 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.86 3dht h GLU 23 CO -0.06 0.17 -0.08 1.88 0.07 0.00 0.00 179.01 181.00 3dht h TYR 24 N 0.00 -0.20 -0.59 2.06 0.05 -0.25 -1.89 116.97 116.15 3dht h TYR 24 Ca -0.00 -0.00 0.11 0.00 0.05 0.00 0.00 58.73 58.88 3dht h TYR 24 Cb 0.78 0.07 -0.03 0.00 1.01 0.00 0.00 36.73 38.55 3dht h TYR 24 CO 0.00 0.17 0.40 0.78 -1.05 0.00 0.00 178.16 178.46 3dht h GLY 25 N -0.62 0.50 0.76 3.88 0.00 -0.81 0.26 103.07 107.04 3dht h GLY 25 Ca -0.02 -0.14 -0.01 0.00 0.00 0.00 0.00 47.33 47.15 3dht h GLY 25 CO 0.04 0.08 -0.09 -2.09 0.00 0.00 0.00 176.54 174.48 3dht h GLU 26 N 0.35 -0.23 -0.80 4.80 4.81 -1.41 -2.57 114.58 119.54 3dht h GLU 26 Ca 0.27 0.02 0.05 0.00 -0.13 0.00 0.00 59.36 59.57 3dht h GLU 26 Cb 0.61 0.05 -0.05 0.00 0.63 0.00 0.00 28.75 29.98 3dht h GLU 26 CO -0.07 0.03 0.49 1.49 -0.73 0.00 0.00 179.01 180.23 3dht h GLU 27 N -0.48 0.90 -0.91 1.92 4.81 -0.38 0.28 114.58 120.72 3dht h GLU 27 Ca -0.02 -0.05 -0.02 0.00 -0.13 0.00 0.00 59.36 59.13 3dht h GLU 27 Cb 0.37 -0.20 -0.04 0.00 0.63 0.00 0.00 28.75 29.51 3dht h GLU 27 CO 0.04 0.59 0.50 0.00 -0.73 0.00 0.00 179.01 179.41 3dht h ALA 28 N 1.36 1.17 0.22 2.92 0.00 -0.56 0.19 119.26 124.56 3dht h ALA 28 Ca 0.34 -0.13 -0.01 0.00 0.00 0.00 0.00 54.91 55.10 3dht h ALA 28 Cb 0.11 -0.36 0.00 0.00 0.00 0.00 0.00 17.79 17.54 3dht h ALA 28 CO -0.15 0.67 -0.11 -0.07 0.00 0.00 0.00 179.25 179.60 3dht h LEU 29 N 1.27 -0.25 -1.23 0.00 3.38 -1.00 -0.85 115.31 116.63 3dht h LEU 29 Ca 0.32 -0.24 0.23 0.00 0.09 0.00 0.00 57.88 58.27 3dht h LEU 29 Cb 0.02 0.06 -0.10 0.00 0.09 0.00 0.00 40.66 40.74 3dht h LEU 29 CO -0.05 0.14 0.63 -0.61 0.09 0.00 0.00 178.44 178.64 3dht h GLN 30 N -0.69 0.53 -0.16 1.13 4.15 -0.80 0.13 115.11 119.39 3dht h GLN 30 Ca -0.03 -0.03 -0.14 0.00 0.77 0.00 0.00 58.65 59.21 3dht h GLN 30 Cb 0.48 -0.12 -0.01 0.00 0.21 0.00 0.00 27.48 28.04 3dht h GLN 30 CO 0.05 0.35 -0.51 0.00 -1.93 0.00 0.00 178.83 176.79 3dht h ARG 31 N 0.54 0.45 -0.20 1.69 3.08 -0.47 -3.22 114.38 116.24 3dht h ARG 31 Ca 0.57 -0.27 -0.14 0.00 0.07 0.00 0.00 59.98 60.22 3dht h ARG 31 Cb 1.21 0.02 0.00 0.00 0.08 0.00 0.00 29.97 31.28 3dht h ARG 31 CO -0.33 0.85 -0.42 1.98 -1.07 0.00 0.00 179.97 180.99 3dht h MET 32 N 0.36 0.64 0.00 0.04 4.05 0.50 -2.45 114.93 118.06 3dht h MET 32 Ca 0.01 -0.42 0.00 0.00 -0.28 0.00 0.00 59.70 59.02 3dht h MET 32 Cb 1.01 0.05 0.00 0.00 -0.80 0.00 0.00 31.60 31.87 3dht h MET 32 CO 0.09 1.03 0.00 0.74 0.23 0.00 0.00 176.91 179.00 3dht h PHE 33 N 0.32 0.00 0.00 1.39 0.04 -0.88 -0.54 116.94 117.27 3dht h PHE 33 Ca 0.00 0.00 -0.31 0.00 2.80 0.00 0.00 57.97 60.47 3dht h PHE 33 Cb 1.02 0.00 -0.05 0.00 2.20 0.00 0.00 35.95 39.12 3dht h PHE 33 CO 0.09 0.00 -2.08 0.00 -0.60 0.00 0.00 178.31 175.72 3dht n ALA 34 N -1.92 1.66 0.15 2.45 0.00 -1.22 -3.86 120.51 117.77 3dht n ALA 34 Ca -0.01 -0.79 0.03 0.00 0.00 0.00 0.00 53.44 52.67 3dht n ALA 34 Cb 0.14 0.16 0.15 0.00 0.00 0.00 0.00 19.45 19.90 3dht n ALA 34 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 3dht h ALA 35 N -0.35 0.79 -2.13 0.00 0.00 -1.46 -3.37 119.26 112.74 3dht h ALA 35 Ca -0.46 -0.46 -0.57 0.00 0.00 0.00 0.00 54.91 53.42 3dht h ALA 35 Cb 1.54 -0.08 -0.39 0.00 0.00 0.00 0.00 17.79 18.86 3dht h ALA 35 CO -0.18 0.63 -0.99 1.19 0.00 0.00 0.00 179.25 179.90 3dht n PHE 36 N -3.39 0.28 0.26 0.00 3.01 -0.21 -4.98 117.46 112.42 3dht n PHE 36 Ca 0.01 -3.63 0.15 0.00 1.01 0.00 0.00 57.45 54.99 3dht n PHE 36 Cb 0.65 -0.29 0.78 0.00 -0.01 0.00 0.00 39.48 40.62 3dht n PHE 36 CO 0.00 0.00 0.00 -1.35 1.01 0.00 0.00 176.76 176.42 3dht h PRO 37 N 4.36 0.00 -1.25 -1.08 0.11 -1.71 -1.35 132.00 131.08 3dht h PRO 37 Ca 0.13 0.00 0.36 0.00 0.11 0.00 0.00 66.00 66.60 3dht h PRO 37 Cb 0.85 0.00 -0.06 0.00 0.11 0.00 0.00 31.00 31.89 3dht h PRO 37 CO 0.51 0.00 0.88 1.15 -0.21 0.00 0.00 178.00 180.33 3dht h THR 38 N 0.00 0.37 -0.06 -1.15 2.02 -1.90 -1.44 112.91 110.74 3dht h THR 38 Ca 0.00 -0.02 -0.17 0.00 0.77 0.00 0.00 66.41 66.99 3dht h THR 38 Cb 0.11 0.29 -0.01 0.00 -1.74 0.00 0.00 68.15 66.80 3dht h THR 38 CO 0.00 0.01 -0.68 0.71 0.37 0.00 0.00 175.52 175.93 3dht h THR 39 N 0.07 1.40 -1.18 3.16 1.35 -1.56 -3.21 112.91 112.94 3dht h THR 39 Ca 0.62 -2.13 0.34 0.00 -0.55 0.00 0.00 66.41 64.70 3dht h THR 39 Cb 2.30 2.10 -0.05 0.00 -1.73 0.00 0.00 68.15 70.78 3dht h THR 39 CO -0.08 0.63 0.90 0.11 -0.25 0.00 0.00 175.52 176.83 3dht h LYS 40 N 0.20 0.00 -0.94 4.72 1.57 -1.45 0.11 116.57 120.79 3dht h LYS 40 Ca -0.02 0.00 0.19 0.00 -1.87 0.00 0.00 60.65 58.95 3dht h LYS 40 Cb 1.23 0.00 -0.08 0.00 0.08 0.00 0.00 32.23 33.46 3dht h LYS 40 CO 0.11 0.00 0.60 1.15 -0.57 0.00 0.00 179.45 180.74 3dht h THR 41 N 0.00 0.72 0.00 -0.16 2.02 -1.71 -1.31 112.91 112.46 3dht h THR 41 Ca 0.56 -0.20 0.00 0.00 0.77 0.00 0.00 66.41 67.54 3dht h THR 41 Cb 2.35 0.09 0.00 0.00 -1.74 0.00 0.00 68.15 68.86 3dht h THR 41 CO -0.01 0.10 0.00 -1.22 0.37 0.00 0.00 175.52 174.77 3dht n TYR 42 N -4.59 0.38 -2.15 3.16 4.01 0.38 -3.45 117.16 114.90 3dht n TYR 42 Ca 0.20 0.13 -0.20 0.00 -0.16 0.00 0.00 57.90 57.87 3dht n TYR 42 Cb 0.62 -0.71 0.02 0.00 -0.31 0.00 0.00 39.34 38.96 3dht n TYR 42 CO 0.00 0.00 0.00 1.19 -0.46 0.00 0.00 176.86 177.59 3dht n PHE 43 N -1.83 2.53 0.30 -0.72 3.01 -0.50 -4.83 117.46 115.43 3dht n PHE 43 Ca 0.04 -2.22 0.17 0.00 1.01 0.00 0.00 57.45 56.45 3dht n PHE 43 Cb 0.28 -0.32 0.96 0.00 -0.01 0.00 0.00 39.48 40.39 3dht n PHE 43 CO 0.00 0.00 0.00 0.77 1.01 0.00 0.00 176.76 178.54 3dht h SER 44 N 2.25 0.00 0.94 4.37 0.02 -1.58 -2.91 113.55 116.64 3dht h SER 44 Ca 0.29 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 61.24 3dht h SER 44 Cb 1.49 0.00 0.00 0.00 0.14 0.00 0.00 62.40 64.03 3dht h SER 44 CO 0.67 0.01 -0.17 0.00 -1.14 0.00 0.00 176.83 176.21 3dht n HIS 45 N -3.65 0.17 -4.41 3.45 1.44 -1.26 -4.89 115.22 106.07 3dht n HIS 45 Ca -0.03 0.05 -0.23 0.00 -2.01 0.00 0.00 57.72 55.51 3dht n HIS 45 Cb 0.10 -0.51 -0.10 0.00 0.12 0.00 0.00 29.99 29.59 3dht n HIS 45 CO 0.00 0.00 0.00 0.96 -2.81 0.00 0.00 176.34 174.49 3dht s ILE 46 N -3.03 2.16 0.40 0.61 -4.36 -1.10 -5.13 121.20 110.76 3dht s ILE 46 Ca 0.12 -2.22 -0.26 0.00 -0.26 0.00 0.00 60.65 58.03 3dht s ILE 46 Cb 0.17 -2.13 -0.09 0.00 1.25 0.00 0.00 42.46 41.66 3dht s ILE 46 CO 0.59 -0.39 1.29 -0.62 0.24 0.00 0.00 174.94 176.06 3dht s ASP 47 N -3.19 6.36 0.00 4.36 2.15 -1.26 -4.94 116.67 120.14 3dht s ASP 47 Ca 0.24 2.63 0.00 0.00 0.43 0.00 0.00 52.55 55.86 3dht s ASP 47 Cb -0.04 -2.64 0.00 0.00 -0.30 0.00 0.00 42.92 39.94 3dht s ASP 47 CO 0.11 -0.82 0.01 0.52 -0.17 0.00 0.00 175.17 174.82 3dht n VAL 48 N 0.17 0.00 -1.59 1.11 0.31 -1.26 -4.26 118.33 112.81 3dht n VAL 48 Ca 0.03 -0.02 -0.47 0.00 -0.01 0.00 0.00 64.34 63.88 3dht n VAL 48 Cb 0.44 1.43 -0.03 0.00 -0.91 0.00 0.00 33.84 34.77 3dht n VAL 48 CO 0.00 0.00 0.00 -1.20 -1.32 0.00 0.00 176.83 174.31 3dht n SER 49 N -0.02 1.39 0.00 4.52 7.64 -1.26 -4.83 113.62 121.06 3dht n SER 49 Ca 0.00 1.16 0.00 0.00 1.01 0.00 0.00 58.87 61.04 3dht n SER 49 Cb 0.11 -1.26 0.00 0.00 -1.01 0.00 0.00 64.21 62.05 3dht n SER 49 CO 0.00 0.00 0.00 -2.65 -3.01 0.00 0.00 175.04 169.38 3dht n PRO 50 N 1.32 0.00 -2.89 1.43 -0.02 -1.26 -3.57 135.00 130.01 3dht n PRO 50 Ca 0.12 0.00 -0.41 0.00 -2.02 0.00 0.00 63.50 61.20 3dht n PRO 50 Cb 0.28 0.00 -0.04 0.00 -0.02 0.00 0.00 33.50 33.72 3dht n PRO 50 CO 0.00 0.00 0.00 0.20 1.98 0.00 0.00 175.50 177.68 3dht s GLY 51 N -0.06 2.71 0.08 -1.23 0.00 -1.26 -4.96 107.32 102.61 3dht s GLY 51 Ca 0.00 0.30 -0.26 0.00 0.00 0.00 0.00 44.72 44.77 3dht s GLY 51 CO 0.00 1.43 0.72 -0.45 0.00 0.00 0.00 173.10 174.80 3dht s SER 52 N 0.91 -0.50 -0.07 1.64 0.15 -1.23 -5.01 113.70 109.58 3dht s SER 52 Ca 0.44 0.06 0.15 0.00 0.70 0.00 0.00 55.95 57.30 3dht s SER 52 Cb -0.19 0.51 -0.22 0.00 -1.71 0.00 0.00 66.02 64.41 3dht s SER 52 CO 0.22 -0.81 0.51 0.00 1.20 0.00 0.00 173.24 174.37 3dht n ALA 53 N -0.21 1.61 0.02 5.45 0.00 -1.26 -3.05 120.51 123.07 3dht n ALA 53 Ca -0.14 -0.89 -0.08 0.00 0.00 0.00 0.00 53.44 52.34 3dht n ALA 53 Cb 0.63 -0.67 -0.13 0.00 0.00 0.00 0.00 19.45 19.28 3dht n ALA 53 CO 0.00 0.00 0.00 1.96 0.00 0.00 0.00 177.50 179.46 3dht h GLN 54 N 0.00 0.00 -0.10 0.00 4.20 -1.98 -2.93 115.11 114.30 3dht h GLN 54 Ca -0.33 0.00 -0.06 0.00 0.06 0.00 0.00 58.65 58.32 3dht h GLN 54 Cb 1.98 0.00 -0.01 0.00 0.30 0.00 0.00 27.48 29.75 3dht h GLN 54 CO 0.06 0.74 -0.20 0.28 -0.67 0.00 0.00 178.83 179.04 3dht h VAL 55 N 0.00 1.20 -0.26 -0.54 2.07 -1.74 -2.49 116.25 114.48 3dht h VAL 55 Ca -0.14 -0.90 -0.16 0.00 0.82 0.00 0.00 66.70 66.32 3dht h VAL 55 Cb 1.88 1.34 -0.01 0.00 -1.52 0.00 0.00 31.29 32.99 3dht h VAL 55 CO 0.10 0.27 -0.48 0.50 0.02 0.00 0.00 177.57 177.99 3dht h LYS 56 N 0.16 0.69 -0.04 1.57 3.64 -1.51 -1.24 116.57 119.84 3dht h LYS 56 Ca 0.03 -0.39 -0.15 0.00 -1.27 0.00 0.00 60.65 58.86 3dht h LYS 56 Cb 0.45 0.03 0.01 0.00 -0.41 0.00 0.00 32.23 32.31 3dht h LYS 56 CO 0.03 1.01 -0.57 0.00 -2.27 0.00 0.00 179.45 177.65 3dht h ALA 57 N 0.92 0.13 -0.57 5.00 0.00 -1.41 -2.66 119.26 120.66 3dht h ALA 57 Ca 0.03 -0.54 -0.10 0.00 0.00 0.00 0.00 54.91 54.30 3dht h ALA 57 Cb 1.03 0.02 -0.02 0.00 0.00 0.00 0.00 17.79 18.82 3dht h ALA 57 CO 0.10 0.37 -0.02 1.25 0.00 0.00 0.00 179.25 180.94 3dht h HIS 58 N -0.01 1.13 -0.36 0.00 -0.00 -1.53 -2.80 115.15 111.58 3dht h HIS 58 Ca -0.06 -0.20 0.07 0.00 -0.00 0.00 0.00 60.37 60.17 3dht h HIS 58 Cb 1.25 -0.29 -0.09 0.00 -0.00 0.00 0.00 27.41 28.28 3dht h HIS 58 CO 0.13 1.01 -0.42 0.78 -0.00 0.00 0.00 177.93 179.44 3dht h GLY 59 N 0.92 -0.55 0.81 5.26 0.00 -1.20 -1.16 103.07 107.15 3dht h GLY 59 Ca 0.16 0.53 0.03 0.00 0.00 0.00 0.00 47.33 48.04 3dht h GLY 59 CO 0.03 -0.19 0.14 1.70 0.00 0.00 0.00 176.54 178.22 3dht h LYS 60 N -0.34 0.29 -0.79 4.80 3.64 -1.42 -2.69 116.57 120.05 3dht h LYS 60 Ca 0.13 -0.02 0.13 0.00 -1.27 0.00 0.00 60.65 59.62 3dht h LYS 60 Cb 0.58 -0.07 -0.09 0.00 -0.41 0.00 0.00 32.23 32.25 3dht h LYS 60 CO -0.54 0.19 0.39 0.87 -2.27 0.00 0.00 179.45 178.09 3dht h LYS 61 N 0.30 0.58 0.49 1.90 1.57 -1.15 -2.00 116.57 118.27 3dht h LYS 61 Ca 0.14 -0.03 -0.01 0.00 -1.87 0.00 0.00 60.65 58.87 3dht h LYS 61 Cb 0.07 -0.13 -0.01 0.00 0.08 0.00 0.00 32.23 32.24 3dht h LYS 61 CO -0.11 0.38 -0.36 0.28 -0.57 0.00 0.00 179.45 179.07 3dht h VAL 62 N 0.60 0.27 0.00 0.50 2.07 -0.91 -2.80 116.25 115.97 3dht h VAL 62 Ca 0.42 0.00 -0.00 0.00 0.82 0.00 0.00 66.70 67.94 3dht h VAL 62 Cb 0.54 0.27 -0.00 0.00 -1.52 0.00 0.00 31.29 30.58 3dht h VAL 62 CO -0.33 0.00 -0.00 0.00 0.02 0.00 0.00 177.57 177.25 3dht h ALA 63 N -0.44 1.09 -0.20 1.67 0.00 -1.19 -0.99 119.26 119.20 3dht h ALA 63 Ca -0.05 -0.00 -0.12 0.00 0.00 0.00 0.00 54.91 54.73 3dht h ALA 63 Cb 0.70 -0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.49 3dht h ALA 63 CO 0.02 0.00 -0.36 -0.44 0.00 0.00 0.00 179.25 178.47 3dht h ASP 64 N 0.00 0.67 0.73 0.00 5.19 -1.11 -0.41 116.42 121.48 3dht h ASP 64 Ca -0.00 -0.54 -0.03 0.00 -0.62 0.00 0.00 57.03 55.84 3dht h ASP 64 Cb 0.02 -0.19 -0.00 0.00 0.18 0.00 0.00 39.33 39.34 3dht h ASP 64 CO 0.00 1.08 -0.15 0.00 -3.12 0.00 0.00 179.24 177.05 3dht h ALA 65 N 0.61 1.09 0.05 3.45 0.00 -1.03 0.28 119.26 123.70 3dht h ALA 65 Ca 0.01 -0.14 -0.28 0.00 0.00 0.00 0.00 54.91 54.51 3dht h ALA 65 Cb 0.95 -0.02 0.02 0.00 0.00 0.00 0.00 17.79 18.74 3dht h ALA 65 CO 0.08 0.19 -1.12 -0.07 0.00 0.00 0.00 179.25 178.33 3dht h LEU 66 N 0.00 0.88 -0.19 0.00 3.38 -1.29 -2.05 115.31 116.04 3dht h LEU 66 Ca -0.00 -0.74 -0.01 0.00 0.09 0.00 0.00 57.88 57.22 3dht h LEU 66 Cb 0.56 -0.27 -0.01 0.00 0.09 0.00 0.00 40.66 41.03 3dht h LEU 66 CO 0.02 1.55 0.08 0.00 0.09 0.00 0.00 178.44 180.18 3dht h ALA 67 N 0.38 0.24 -0.26 1.53 0.00 -0.62 -2.17 119.26 118.36 3dht h ALA 67 Ca -0.15 -0.09 0.05 0.00 0.00 0.00 0.00 54.91 54.72 3dht h ALA 67 Cb 1.78 -0.07 -0.05 0.00 0.00 0.00 0.00 17.79 19.45 3dht h ALA 67 CO 0.22 -0.19 -0.08 0.87 0.00 0.00 0.00 179.25 180.07 3dht h LYS 68 N 0.16 -0.02 0.39 0.00 1.57 -0.51 -2.26 116.57 115.91 3dht h LYS 68 Ca 0.06 0.00 -0.02 0.00 -1.87 0.00 0.00 60.65 58.83 3dht h LYS 68 Cb 0.14 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.46 3dht h LYS 68 CO -0.01 -0.01 -0.19 0.00 -0.57 0.00 0.00 179.45 178.67 3dht h ALA 69 N 1.23 -0.53 -1.10 3.86 0.00 -1.36 -1.31 119.26 120.06 3dht h ALA 69 Ca 0.13 -0.12 0.31 0.00 0.00 0.00 0.00 54.91 55.22 3dht h ALA 69 Cb 0.21 0.21 -0.07 0.00 0.00 0.00 0.00 17.79 18.14 3dht h ALA 69 CO -0.28 -0.78 0.76 0.00 0.00 0.00 0.00 179.25 178.95 3dht h ALA 70 N 0.04 2.73 0.02 0.00 0.00 -1.26 0.19 119.26 120.98 3dht h ALA 70 Ca -0.05 0.00 -0.00 0.00 0.00 0.00 0.00 54.91 54.86 3dht h ALA 70 Cb 0.42 0.06 0.00 0.00 0.00 0.00 0.00 17.79 18.28 3dht h ALA 70 CO 0.09 -1.09 -0.01 -0.44 0.00 0.00 0.00 179.25 177.80 3dht h ASP 71 N 0.16 -0.02 -1.19 0.00 5.19 -0.84 -3.30 116.42 116.41 3dht h ASP 71 Ca 0.56 -0.65 -0.60 0.00 -0.62 0.00 0.00 57.03 55.72 3dht h ASP 71 Cb 1.91 0.00 -0.23 0.00 0.18 0.00 0.00 39.33 41.19 3dht h ASP 71 CO -0.13 0.66 0.74 1.41 -3.12 0.00 0.00 179.24 178.80 3dht n HIS 72 N -4.78 2.50 -0.44 4.55 8.25 -0.30 -4.74 115.22 120.26 3dht n HIS 72 Ca -0.09 -2.41 0.36 0.00 -0.26 0.00 0.00 57.72 55.32 3dht n HIS 72 Cb 0.33 -1.27 0.65 0.00 1.12 0.00 0.00 29.99 30.82 3dht n HIS 72 CO 0.00 0.00 0.00 0.28 0.64 0.00 0.00 176.34 177.26 3dht h VAL 73 N 1.48 0.18 -0.00 1.59 2.07 -0.78 0.22 116.25 121.02 3dht h VAL 73 Ca 0.49 -0.04 0.00 0.00 0.82 0.00 0.00 66.70 67.97 3dht h VAL 73 Cb 0.59 0.05 0.00 0.00 -1.52 0.00 0.00 31.29 30.41 3dht h VAL 73 CO 1.24 0.02 -0.40 -0.62 0.02 0.00 0.00 177.57 177.83 3dht n GLU 74 N -4.61 0.27 -3.12 1.57 1.02 -1.26 -4.27 120.64 110.23 3dht n GLU 74 Ca 0.35 -0.15 -0.20 0.00 -0.02 0.00 0.00 57.16 57.15 3dht n GLU 74 Cb 1.38 -1.50 -0.03 0.00 -0.02 0.00 0.00 31.44 31.27 3dht n GLU 74 CO 0.00 0.00 0.00 -3.47 1.18 0.00 0.00 177.13 174.84 3dht n ASP 75 N -1.23 1.65 -0.09 1.62 2.03 0.06 -4.97 116.55 115.61 3dht n ASP 75 Ca 0.08 -3.15 -0.12 0.00 0.52 0.00 0.00 54.79 52.11 3dht n ASP 75 Cb 0.34 -0.60 -0.04 0.00 -0.72 0.00 0.00 41.12 40.09 3dht n ASP 75 CO 0.00 0.00 0.00 -0.07 -1.92 0.00 0.00 177.20 175.21 3dht h LEU 76 N 2.99 0.62 -0.77 -2.67 3.38 -1.73 0.27 115.31 117.40 3dht h LEU 76 Ca 0.10 -0.42 0.10 0.00 0.09 0.00 0.00 57.88 57.75 3dht h LEU 76 Cb 0.87 -0.17 -0.07 0.00 0.09 0.00 0.00 40.66 41.38 3dht h LEU 76 CO 0.57 0.90 0.41 1.55 0.09 0.00 0.00 178.44 181.96 3dht h PRO 77 N 0.34 0.66 0.36 1.13 0.13 -1.93 -2.04 132.00 130.64 3dht h PRO 77 Ca 0.06 -0.04 -0.02 0.00 -0.87 0.00 0.00 66.00 65.13 3dht h PRO 77 Cb 0.68 -0.15 0.00 0.00 0.13 0.00 0.00 31.00 31.66 3dht h PRO 77 CO 0.04 0.44 -0.17 0.78 -0.23 0.00 0.00 178.00 178.86 3dht h GLY 78 N 0.68 -0.50 2.00 1.56 0.00 -1.86 -2.18 103.07 102.77 3dht h GLY 78 Ca 0.38 0.19 -0.06 0.00 0.00 0.00 0.00 47.33 47.83 3dht h GLY 78 CO -0.26 -0.18 -0.28 0.00 0.00 0.00 0.00 176.54 175.82 3dht h ALA 79 N 0.14 1.40 0.00 3.60 0.00 -0.39 -3.31 119.26 120.69 3dht h ALA 79 Ca -0.05 -0.25 -0.01 0.00 0.00 0.00 0.00 54.91 54.60 3dht h ALA 79 Cb 0.38 -0.04 -0.01 0.00 0.00 0.00 0.00 17.79 18.11 3dht h ALA 79 CO 0.08 0.35 -0.19 1.28 0.00 0.00 0.00 179.25 180.76 3dht n LEU 80 N -4.00 1.92 0.23 0.00 4.77 -0.78 -4.78 117.00 114.36 3dht n LEU 80 Ca -0.02 -2.77 0.08 0.00 -0.03 0.00 0.00 56.01 53.27 3dht n LEU 80 Cb 0.34 -0.35 0.55 0.00 -2.33 0.00 0.00 43.42 41.64 3dht n LEU 80 CO 0.36 0.71 0.87 0.77 -1.33 0.00 0.00 177.39 178.77 3dht h SER 81 N 0.17 0.00 1.49 -1.43 4.64 -1.49 -2.26 113.55 114.67 3dht h SER 81 Ca -0.01 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.31 3dht h SER 81 Cb 1.11 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.20 3dht h SER 81 CO 0.00 0.21 0.00 0.74 -0.87 0.00 0.00 176.83 176.92 3dht h THR 82 N 0.00 0.00 -0.00 2.95 2.02 -1.88 -2.61 112.91 113.39 3dht h THR 82 Ca -0.00 -0.69 0.00 0.00 0.77 0.00 0.00 66.41 66.49 3dht h THR 82 Cb 0.46 1.66 0.00 0.00 -1.74 0.00 0.00 68.15 68.53 3dht h THR 82 CO 0.03 0.00 -0.57 0.18 0.37 0.00 0.00 175.52 175.53 3dht n LEU 83 N -2.88 0.77 -0.02 2.58 4.77 -0.87 -3.85 117.00 117.51 3dht n LEU 83 Ca 0.03 -0.19 -0.16 0.00 -0.03 0.00 0.00 56.01 55.66 3dht n LEU 83 Cb 0.41 -0.16 -0.10 0.00 -2.33 0.00 0.00 43.42 41.24 3dht n LEU 83 CO 0.30 0.18 0.35 0.28 -1.33 0.00 0.00 177.39 177.17 3dht h SER 84 N 0.32 0.41 0.97 -1.43 0.02 -1.19 -2.91 113.55 109.73 3dht h SER 84 Ca 0.00 -0.72 -0.09 0.00 -0.84 0.00 0.00 61.79 60.14 3dht h SER 84 Cb 0.51 -0.12 -0.01 0.00 0.14 0.00 0.00 62.40 62.92 3dht h SER 84 CO 0.00 1.08 -0.41 0.44 -1.14 0.00 0.00 176.83 176.80 3dht h ASP 85 N -0.21 0.00 0.43 3.07 5.19 -1.72 -0.79 116.42 122.40 3dht h ASP 85 Ca -0.04 0.00 -0.02 0.00 -0.62 0.00 0.00 57.03 56.34 3dht h ASP 85 Cb 1.12 0.00 0.00 0.00 0.18 0.00 0.00 39.33 40.63 3dht h ASP 85 CO 0.08 0.41 -0.21 0.25 -3.12 0.00 0.00 179.24 176.66 3dht h LEU 86 N 0.00 -0.49 0.00 1.55 7.12 -1.67 0.85 115.31 122.68 3dht h LEU 86 Ca -0.00 -0.10 -0.00 0.00 0.13 0.00 0.00 57.88 57.91 3dht h LEU 86 Cb 1.00 0.13 -0.00 0.00 -0.53 0.00 0.00 40.66 41.26 3dht h LEU 86 CO 0.05 -0.15 -0.02 0.45 -0.13 0.00 0.00 178.44 178.65 3dht h HIS 87 N -0.86 0.00 0.29 1.25 3.86 -1.47 -1.43 115.15 116.80 3dht h HIS 87 Ca -0.06 0.00 -0.01 0.00 -1.16 0.00 0.00 60.37 59.14 3dht h HIS 87 Cb 0.56 0.00 0.00 0.00 1.06 0.00 0.00 27.41 29.03 3dht h HIS 87 CO 0.01 0.08 -0.14 0.00 0.86 0.00 0.00 177.93 178.74 3dht h ALA 88 N -0.92 -0.40 0.00 2.45 0.00 -1.26 -1.06 119.26 118.08 3dht h ALA 88 Ca -0.00 -0.12 -0.04 0.00 0.00 0.00 0.00 54.91 54.74 3dht h ALA 88 Cb 0.09 0.15 -0.01 0.00 0.00 0.00 0.00 17.79 18.03 3dht h ALA 88 CO -0.00 -0.67 -0.26 1.25 0.00 0.00 0.00 179.25 179.57 3dht h HIS 89 N -0.50 0.00 0.05 0.00 -0.00 -1.56 -3.32 115.15 109.82 3dht h HIS 89 Ca -0.04 0.00 -0.17 0.00 -0.00 0.00 0.00 60.37 60.16 3dht h HIS 89 Cb 0.37 0.00 0.02 0.00 -0.00 0.00 0.00 27.41 27.80 3dht h HIS 89 CO -0.03 0.81 -0.71 -0.22 -0.00 0.00 0.00 177.93 177.79 3dht h LYS 90 N -1.00 0.40 0.00 5.26 3.64 -0.62 -3.39 116.57 120.85 3dht h LYS 90 Ca -0.06 -0.49 -0.16 0.00 -1.27 0.00 0.00 60.65 58.67 3dht h LYS 90 Cb 0.81 0.15 -0.03 0.00 -0.41 0.00 0.00 32.23 32.76 3dht h LYS 90 CO -0.04 1.16 -2.08 1.28 -2.27 0.00 0.00 179.45 177.51 3dht n LEU 91 N -4.16 0.09 -3.64 5.20 4.77 -0.56 -5.00 117.00 113.71 3dht n LEU 91 Ca -0.12 0.04 -0.22 0.00 -0.03 0.00 0.00 56.01 55.68 3dht n LEU 91 Cb 0.74 0.20 0.06 0.00 -2.33 0.00 0.00 43.42 42.09 3dht n LEU 91 CO 0.48 0.20 0.08 0.54 -1.33 0.00 0.00 177.39 177.36 3dht n ARG 92 N -2.52 -6.15 -1.96 3.23 5.12 -0.41 -4.94 116.66 109.03 3dht n ARG 92 Ca -0.16 0.73 -0.42 0.00 -1.93 0.00 0.00 57.85 56.07 3dht n ARG 92 Cb 0.82 -5.58 -0.03 0.00 -1.16 0.00 0.00 32.46 26.51 3dht n ARG 92 CO 0.00 0.00 0.00 0.08 -1.93 0.00 0.00 177.63 175.78 3dht s VAL 93 N -3.44 2.87 0.28 1.55 1.01 -1.16 -4.96 120.40 116.55 3dht s VAL 93 Ca 0.24 0.51 -0.29 0.00 0.00 0.00 0.00 61.98 62.44 3dht s VAL 93 Cb -0.11 -3.33 -0.14 0.00 0.00 0.00 0.00 36.38 32.80 3dht s VAL 93 CO 0.77 0.02 1.13 -0.67 0.00 0.00 0.00 175.10 176.36 3dht n ASP 94 N 4.66 1.80 0.00 3.32 -0.08 -1.26 -4.87 116.55 120.12 3dht n ASP 94 Ca 0.14 1.18 0.09 0.00 -1.51 0.00 0.00 54.79 54.70 3dht n ASP 94 Cb 0.40 -1.34 0.48 0.00 2.34 0.00 0.00 41.12 43.00 3dht n ASP 94 CO 0.00 0.00 0.00 -2.65 0.12 0.00 0.00 177.20 174.67 3dht n PRO 95 N 0.95 0.27 0.05 -0.67 -0.02 -1.26 -2.56 135.00 131.75 3dht n PRO 95 Ca 0.09 0.11 -0.09 0.00 -2.02 0.00 0.00 63.50 61.59 3dht n PRO 95 Cb 0.32 -1.50 -0.13 0.00 -0.02 0.00 0.00 33.50 32.17 3dht n PRO 95 CO 0.00 0.00 0.00 0.28 1.98 0.00 0.00 175.50 177.76 3dht h VAL 96 N 0.00 1.50 -0.51 -1.45 2.07 -2.03 -3.34 116.25 112.48 3dht h VAL 96 Ca 0.00 -3.22 0.02 0.00 0.82 0.00 0.00 66.70 64.32 3dht h VAL 96 Cb 0.18 2.77 -0.03 0.00 -1.52 0.00 0.00 31.29 32.69 3dht h VAL 96 CO 0.00 0.87 0.34 0.78 0.02 0.00 0.00 177.57 179.58 3dht h ASN 97 N 0.01 0.54 0.73 0.57 -0.26 -1.87 -2.07 115.58 113.22 3dht h ASN 97 Ca -0.09 -0.01 -0.01 0.00 -0.56 0.00 0.00 56.30 55.63 3dht h ASN 97 Cb 1.85 -0.13 -0.00 0.00 -1.06 0.00 0.00 38.32 38.97 3dht h ASN 97 CO 0.13 0.38 -0.06 -0.26 -1.06 0.00 0.00 177.43 176.56 3dht h PHE 98 N 0.64 0.00 0.00 1.19 0.04 -1.74 -1.61 116.94 115.46 3dht h PHE 98 Ca 0.20 0.00 -0.10 0.00 2.80 0.00 0.00 57.97 60.87 3dht h PHE 98 Cb 0.01 0.00 -0.01 0.00 2.20 0.00 0.00 35.95 38.15 3dht h PHE 98 CO -0.00 0.06 -0.46 0.87 -0.60 0.00 0.00 178.31 178.18 3dht h LYS 99 N 0.00 0.00 0.16 1.51 1.57 -1.58 -2.35 116.57 115.87 3dht h LYS 99 Ca -0.00 0.00 -0.30 0.00 -1.87 0.00 0.00 60.65 58.48 3dht h LYS 99 Cb 0.45 0.00 0.01 0.00 0.08 0.00 0.00 32.23 32.77 3dht h LYS 99 CO 0.01 0.46 -1.36 0.74 -0.57 0.00 0.00 179.45 178.73 3dht h PHE 100 N 0.00 0.60 0.11 -1.35 0.04 -1.34 -2.98 116.94 112.02 3dht h PHE 100 Ca -0.00 -0.44 -0.29 0.00 2.80 0.00 0.00 57.97 60.03 3dht h PHE 100 Cb 1.16 -0.02 0.03 0.00 2.20 0.00 0.00 35.95 39.31 3dht h PHE 100 CO 0.00 1.37 -1.23 1.25 -0.60 0.00 0.00 178.31 179.10 3dht h LEU 101 N 0.09 0.85 -1.17 1.54 5.85 -1.52 -2.66 115.31 118.29 3dht h LEU 101 Ca -0.19 -0.78 -0.01 0.00 0.84 0.00 0.00 57.88 57.75 3dht h LEU 101 Cb 2.03 -0.27 -0.04 0.00 0.37 0.00 0.00 40.66 42.76 3dht h LEU 101 CO 0.21 1.58 0.44 0.28 -0.34 0.00 0.00 178.44 180.61 3dht h SER 102 N 0.27 0.89 -0.10 1.25 0.02 -1.55 -0.55 113.55 113.78 3dht h SER 102 Ca -0.18 -0.05 -0.02 0.00 -0.84 0.00 0.00 61.79 60.70 3dht h SER 102 Cb 1.90 -0.22 -0.00 0.00 0.14 0.00 0.00 62.40 64.21 3dht h SER 102 CO 0.23 0.69 -0.01 -0.74 -1.14 0.00 0.00 176.83 175.87 3dht h HIS 103 N 1.02 0.21 0.00 3.45 -0.00 -1.55 -2.44 115.15 115.84 3dht h HIS 103 Ca 0.27 -0.04 -0.04 0.00 -0.00 0.00 0.00 60.37 60.56 3dht h HIS 103 Cb -0.03 -0.05 -0.01 0.00 -0.00 0.00 0.00 27.41 27.33 3dht h HIS 103 CO 0.00 0.46 -0.19 0.00 -0.00 0.00 0.00 177.93 178.20 3dht h LEU 105 N 0.00 0.38 -0.02 0.00 5.85 -0.99 -2.07 115.31 118.45 3dht h LEU 105 Ca -0.00 -0.15 -0.24 0.00 0.84 0.00 0.00 57.88 58.32 3dht h LEU 105 Cb 0.37 -0.10 0.02 0.00 0.37 0.00 0.00 40.66 41.32 3dht h LEU 105 CO 0.02 0.72 -0.94 -0.07 -0.34 0.00 0.00 178.44 177.83 3dht h LEU 106 N 0.31 0.86 -1.94 2.25 3.38 -0.74 -2.21 115.31 117.22 3dht h LEU 106 Ca 0.03 -0.73 -0.01 0.00 0.09 0.00 0.00 57.88 57.26 3dht h LEU 106 Cb 0.79 -0.26 -0.00 0.00 0.09 0.00 0.00 40.66 41.28 3dht h LEU 106 CO 0.06 1.47 -0.05 0.58 0.09 0.00 0.00 178.44 180.60 3dht h VAL 107 N 0.33 0.99 0.06 1.22 2.07 -1.11 0.83 116.25 120.63 3dht h VAL 107 Ca -0.11 -0.18 -0.00 0.00 0.82 0.00 0.00 66.70 67.23 3dht h VAL 107 Cb 1.60 1.10 0.00 0.00 -1.52 0.00 0.00 31.29 32.47 3dht h VAL 107 CO 0.19 0.05 -0.03 0.74 0.02 0.00 0.00 177.57 178.54 3dht h THR 108 N 0.00 1.26 -0.38 2.57 2.02 -1.24 -2.12 112.91 115.01 3dht h THR 108 Ca -0.00 -1.39 -0.01 0.00 0.77 0.00 0.00 66.41 65.78 3dht h THR 108 Cb 0.09 2.12 -0.02 0.00 -1.74 0.00 0.00 68.15 68.61 3dht h THR 108 CO 0.01 0.33 0.19 -0.07 0.37 0.00 0.00 175.52 176.34 3dht h LEU 109 N -0.74 0.50 -1.20 2.58 4.07 -1.28 -2.01 115.31 117.23 3dht h LEU 109 Ca -0.01 -0.12 0.03 0.00 0.08 0.00 0.00 57.88 57.86 3dht h LEU 109 Cb 0.60 -0.13 -0.05 0.00 1.08 0.00 0.00 40.66 42.17 3dht h LEU 109 CO 0.01 0.48 0.55 0.00 -1.08 0.00 0.00 178.44 178.40 3dht h ALA 110 N 1.04 1.48 -0.37 1.53 0.00 -0.93 0.14 119.26 122.16 3dht h ALA 110 Ca 0.13 -0.04 -0.06 0.00 0.00 0.00 0.00 54.91 54.94 3dht h ALA 110 Cb 0.11 -0.30 -0.01 0.00 0.00 0.00 0.00 17.79 17.60 3dht h ALA 110 CO -0.02 0.44 -0.01 0.00 0.00 0.00 0.00 179.25 179.67 3dht n HIS 112 N -4.48 0.60 -3.23 0.00 -0.00 -0.78 -4.49 115.22 102.84 3dht n HIS 112 Ca -0.01 0.17 -0.25 0.00 -0.00 0.00 0.00 57.72 57.63 3dht n HIS 112 Cb 0.28 -0.69 -0.07 0.00 -0.00 0.00 0.00 29.99 29.51 3dht n HIS 112 CO 0.00 0.00 0.00 0.72 -0.00 0.00 0.00 176.34 177.06 3dht n HIS 113 N -2.13 0.33 -0.11 4.41 8.25 0.45 -4.96 115.22 121.47 3dht n HIS 113 Ca 0.03 -3.66 -0.03 0.00 -0.26 0.00 0.00 57.72 53.80 3dht n HIS 113 Cb 0.44 -0.39 0.19 0.00 1.12 0.00 0.00 29.99 31.35 3dht n HIS 113 CO 0.00 0.00 0.00 -1.00 0.64 0.00 0.00 176.34 175.98 3dht h PRO 114 N 4.03 0.79 -0.47 -0.41 0.13 -1.79 -1.14 132.00 133.13 3dht h PRO 114 Ca 0.09 -0.18 0.01 0.00 -0.87 0.00 0.00 66.00 65.05 3dht h PRO 114 Cb 0.84 -0.11 -0.02 0.00 0.13 0.00 0.00 31.00 31.84 3dht h PRO 114 CO 0.53 0.75 0.31 0.78 -0.23 0.00 0.00 178.00 180.14 3dht h GLY 115 N 0.96 0.66 1.59 1.56 0.00 -1.93 -3.23 103.07 102.68 3dht h GLY 115 Ca 0.16 -0.24 -0.22 0.00 0.00 0.00 0.00 47.33 47.02 3dht h GLY 115 CO 0.01 0.23 -1.20 -0.55 0.00 0.00 0.00 176.54 175.03 3dht h ASP 116 N 0.63 0.00 0.00 0.19 5.19 -1.95 -3.41 116.42 117.07 3dht h ASP 116 Ca 0.17 0.00 -0.68 0.00 -0.62 0.00 0.00 57.03 55.90 3dht h ASP 116 Cb -0.06 0.00 -0.01 0.00 0.18 0.00 0.00 39.33 39.44 3dht h ASP 116 CO -0.04 0.91 2.87 0.33 -3.12 0.00 0.00 179.24 180.18 3dht n PHE 117 N -3.20 2.87 -2.55 4.55 7.35 -0.44 -4.79 117.46 121.25 3dht n PHE 117 Ca -0.06 -2.56 -0.26 0.00 -0.76 0.00 0.00 57.45 53.82 3dht n PHE 117 Cb 0.94 -2.24 0.02 0.00 0.35 0.00 0.00 39.48 38.56 3dht n PHE 117 CO 0.00 0.00 0.00 0.95 -0.76 0.00 0.00 176.76 176.95 3dht s THR 118 N 3.79 3.89 0.17 -2.13 -4.23 -1.26 -4.90 115.64 110.97 3dht s THR 118 Ca 0.51 -0.07 -0.25 0.00 -1.18 0.00 0.00 61.69 60.70 3dht s THR 118 Cb 0.14 -3.51 0.05 0.00 1.34 0.00 0.00 72.50 70.51 3dht s THR 118 CO -0.02 -0.49 1.57 -0.65 -0.54 0.00 0.00 174.62 174.49 3dht h PRO 119 N -0.00 -0.22 -0.23 3.99 0.11 -1.98 0.14 132.00 133.81 3dht h PRO 119 Ca -0.46 0.01 0.05 0.00 0.11 0.00 0.00 66.00 65.71 3dht h PRO 119 Cb 1.25 0.05 -0.05 0.00 0.11 0.00 0.00 31.00 32.36 3dht h PRO 119 CO 0.60 -0.14 -0.07 0.00 -0.21 0.00 0.00 178.00 178.17 3dht h ALA 120 N 0.66 0.13 -0.19 -0.75 0.00 -1.96 -1.80 119.26 115.34 3dht h ALA 120 Ca 0.18 0.09 0.05 0.00 0.00 0.00 0.00 54.91 55.23 3dht h ALA 120 Cb 0.56 0.20 -0.05 0.00 0.00 0.00 0.00 17.79 18.51 3dht h ALA 120 CO -0.68 -0.49 -0.10 1.98 0.00 0.00 0.00 179.25 179.96 3dht h MET 121 N -0.03 -0.08 0.00 0.00 1.85 -1.83 -3.19 114.93 111.65 3dht h MET 121 Ca 0.11 0.01 -0.03 0.00 -0.61 0.00 0.00 59.70 59.18 3dht h MET 121 Cb 0.20 0.02 -0.00 0.00 0.43 0.00 0.00 31.60 32.24 3dht h MET 121 CO -0.25 -0.05 -0.13 1.25 -0.40 0.00 0.00 176.91 177.33 3dht h HIS 122 N -0.09 0.00 0.06 1.39 6.17 0.08 -1.55 115.15 121.22 3dht h HIS 122 Ca 0.11 0.00 -0.00 0.00 0.71 0.00 0.00 60.37 61.18 3dht h HIS 122 Cb 0.24 0.00 0.00 0.00 2.52 0.00 0.00 27.41 30.17 3dht h HIS 122 CO -0.26 0.13 -0.03 0.00 0.71 0.00 0.00 177.93 178.48 3dht h ALA 123 N 1.87 -0.08 -0.58 5.26 0.00 -1.38 -1.25 119.26 123.10 3dht h ALA 123 Ca -0.00 -0.23 0.12 0.00 0.00 0.00 0.00 54.91 54.80 3dht h ALA 123 Cb 0.23 0.03 -0.09 0.00 0.00 0.00 0.00 17.79 17.96 3dht h ALA 123 CO 0.02 -0.31 0.03 0.77 0.00 0.00 0.00 179.25 179.76 3dht h SER 124 N -0.56 -0.20 -0.30 0.00 0.02 -1.48 0.17 113.55 111.20 3dht h SER 124 Ca -0.01 0.14 -0.00 0.00 -0.84 0.00 0.00 61.79 61.07 3dht h SER 124 Cb 0.49 0.23 -0.01 0.00 0.14 0.00 0.00 62.40 63.24 3dht h SER 124 CO 0.01 -0.08 0.17 -0.07 -1.14 0.00 0.00 176.83 175.73 3dht h LEU 125 N 0.14 0.37 0.48 5.07 3.38 -1.27 0.32 115.31 123.80 3dht h LEU 125 Ca 0.30 -0.07 -0.02 0.00 0.09 0.00 0.00 57.88 58.18 3dht h LEU 125 Cb 0.47 -0.09 -0.01 0.00 0.09 0.00 0.00 40.66 41.12 3dht h LEU 125 CO -0.47 0.33 -0.32 -0.78 0.09 0.00 0.00 178.44 177.29 3dht h ASP 126 N 0.37 -0.82 -0.97 -0.43 3.58 -0.72 -2.00 116.42 115.43 3dht h ASP 126 Ca 0.11 0.05 0.23 0.00 0.42 0.00 0.00 57.03 57.84 3dht h ASP 126 Cb 0.04 0.25 -0.12 0.00 1.72 0.00 0.00 39.33 41.22 3dht h ASP 126 CO -0.02 -0.50 0.54 0.50 -2.88 0.00 0.00 179.24 176.89 3dht h LYS 127 N -0.78 0.53 0.04 0.28 3.64 -0.49 -0.54 116.57 119.25 3dht h LYS 127 Ca -0.05 -0.03 -0.00 0.00 -1.27 0.00 0.00 60.65 59.29 3dht h LYS 127 Cb 0.65 -0.12 0.00 0.00 -0.41 0.00 0.00 32.23 32.35 3dht h LYS 127 CO 0.04 0.35 -0.02 0.35 -2.27 0.00 0.00 179.45 177.90 3dht h PHE 128 N 0.55 -0.04 0.00 1.91 3.57 -0.05 -2.65 116.94 120.23 3dht h PHE 128 Ca 0.62 -0.00 0.00 0.00 3.53 0.00 0.00 57.97 62.12 3dht h PHE 128 Cb 1.16 0.01 0.00 0.00 2.79 0.00 0.00 35.95 39.91 3dht h PHE 128 CO -0.04 0.19 0.00 1.28 -2.23 0.00 0.00 178.31 177.51 3dht n LEU 129 N -5.00 0.69 -0.02 0.59 4.77 -0.78 -1.18 117.00 116.06 3dht n LEU 129 Ca -0.08 0.65 -0.16 0.00 -0.03 0.00 0.00 56.01 56.39 3dht n LEU 129 Cb 0.14 -0.54 -0.10 0.00 -2.33 0.00 0.00 43.42 40.60 3dht n LEU 129 CO 0.33 -0.50 0.36 0.00 -1.33 0.00 0.00 177.39 176.24 3dht h ALA 130 N 2.31 0.13 -0.03 -1.18 0.00 -0.86 0.81 119.26 120.44 3dht h ALA 130 Ca 0.00 -0.50 -0.15 0.00 0.00 0.00 0.00 54.91 54.26 3dht h ALA 130 Cb 0.42 0.01 -0.02 0.00 0.00 0.00 0.00 17.79 18.20 3dht h ALA 130 CO 0.00 0.29 -0.66 0.66 0.00 0.00 0.00 179.25 179.54 3dht h SER 131 N -0.08 0.14 -0.23 0.00 4.64 -1.14 0.57 113.55 117.44 3dht h SER 131 Ca -0.04 -0.09 -0.06 0.00 -0.47 0.00 0.00 61.79 61.13 3dht h SER 131 Cb 1.13 -0.04 -0.02 0.00 -0.31 0.00 0.00 62.40 63.16 3dht h SER 131 CO 0.09 0.76 -0.05 0.58 -0.87 0.00 0.00 176.83 177.34 3dht h VAL 132 N 0.08 1.22 -0.26 0.95 2.07 -1.19 -0.28 116.25 118.86 3dht h VAL 132 Ca -0.01 -0.93 -0.10 0.00 0.82 0.00 0.00 66.70 66.47 3dht h VAL 132 Cb 1.18 1.01 -0.00 0.00 -1.52 0.00 0.00 31.29 31.96 3dht h VAL 132 CO 0.09 0.32 -0.24 0.28 0.02 0.00 0.00 177.57 178.04 3dht h SER 133 N 0.54 0.66 0.48 0.57 0.02 -0.48 -2.58 113.55 112.77 3dht h SER 133 Ca 0.11 -0.47 -0.01 0.00 -0.84 0.00 0.00 61.79 60.58 3dht h SER 133 Cb 0.43 -0.18 -0.02 0.00 0.14 0.00 0.00 62.40 62.76 3dht h SER 133 CO 0.02 0.99 -0.48 0.74 -1.14 0.00 0.00 176.83 176.96 3dht h THR 134 N 0.34 0.05 -0.98 -2.27 2.02 0.39 -1.61 112.91 110.85 3dht h THR 134 Ca 0.04 0.00 0.07 0.00 0.77 0.00 0.00 66.41 67.29 3dht h THR 134 Cb 0.80 0.05 -0.07 0.00 -1.74 0.00 0.00 68.15 67.20 3dht h THR 134 CO 0.06 0.00 0.63 0.58 0.37 0.00 0.00 175.52 177.16 3dht h VAL 135 N -0.97 1.06 -0.55 3.16 2.07 -1.17 0.65 116.25 120.50 3dht h VAL 135 Ca -0.06 -0.39 0.06 0.00 0.82 0.00 0.00 66.70 67.14 3dht h VAL 135 Cb 0.85 -0.17 -0.03 0.00 -1.52 0.00 0.00 31.29 30.42 3dht h VAL 135 CO -0.06 0.21 0.37 -0.07 0.02 0.00 0.00 177.57 178.03 3dht h LEU 136 N 1.13 0.45 -3.07 2.57 -0.00 -1.18 -1.15 115.31 114.06 3dht h LEU 136 Ca 0.43 0.00 0.00 0.00 -0.00 0.00 0.00 57.88 58.31 3dht h LEU 136 Cb 0.20 -0.10 0.00 0.00 -0.00 0.00 0.00 40.66 40.76 3dht h LEU 136 CO -0.18 0.29 0.00 0.35 -0.00 0.00 0.00 178.44 178.90 3dht n THR 137 N -4.47 1.64 0.25 0.22 -2.24 -0.53 -3.94 114.28 105.21 3dht n THR 137 Ca 0.08 -1.25 0.11 0.00 -2.27 0.00 0.00 64.05 60.72 3dht n THR 137 Cb 0.25 0.19 0.66 0.00 -2.10 0.00 0.00 70.33 69.32 3dht n THR 137 CO 0.00 0.00 0.00 0.77 -0.57 0.00 0.00 175.07 175.27 3dht h SER 138 N 3.21 0.00 -0.02 3.42 4.64 0.41 -3.49 113.55 121.72 3dht h SER 138 Ca 0.00 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.32 3dht h SER 138 Cb 1.24 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.33 3dht h SER 138 CO 0.15 0.15 0.00 0.29 -0.87 0.00 0.00 176.83 176.55