#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3dht n HIS 2 N 0.00 0.00 -3.15 6.34 -0.00 -1.26 -5.04 115.22 112.11 3dht n HIS 2 Ca 0.00 0.00 -0.20 0.00 -0.00 0.00 0.00 57.72 57.52 3dht n HIS 2 Cb 0.00 -0.24 0.02 0.00 -0.00 0.00 0.00 29.99 29.77 3dht n HIS 2 CO 0.00 0.00 0.00 1.28 -0.00 0.00 0.00 176.34 177.62 3dht n LEU 3 N -1.21 -5.63 -4.57 2.41 4.32 -1.26 -5.03 117.00 106.03 3dht n LEU 3 Ca 0.00 0.17 -0.29 0.00 -0.02 0.00 0.00 56.01 55.86 3dht n LEU 3 Cb 0.00 -2.67 0.23 0.00 -1.62 0.00 0.00 43.42 39.36 3dht n LEU 3 CO 0.00 -1.30 0.59 0.42 -1.22 0.00 0.00 177.39 175.88 3dht s THR 4 N -2.25 1.74 0.07 -5.08 -4.23 -1.26 -4.67 115.64 99.97 3dht s THR 4 Ca 0.27 0.00 -0.20 0.00 -1.18 0.00 0.00 61.69 60.58 3dht s THR 4 Cb -0.05 -2.39 -0.10 0.00 1.34 0.00 0.00 72.50 71.29 3dht s THR 4 CO 0.81 0.00 1.55 0.44 -0.54 0.00 0.00 174.62 176.88 3dht h ASP 5 N -2.47 0.29 1.19 3.99 5.19 -1.98 0.73 116.42 123.36 3dht h ASP 5 Ca -0.50 -0.25 0.00 0.00 -0.62 0.00 0.00 57.03 55.65 3dht h ASP 5 Cb 1.32 -0.08 0.00 0.00 0.18 0.00 0.00 39.33 40.75 3dht h ASP 5 CO 0.44 0.47 0.00 0.00 -3.12 0.00 0.00 179.24 177.02 3dht h ALA 6 N 0.83 1.00 0.00 3.45 0.00 -1.99 -1.43 119.26 121.11 3dht h ALA 6 Ca 0.06 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.97 3dht h ALA 6 Cb 0.30 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.09 3dht h ALA 6 CO 0.00 0.00 -0.57 1.49 0.00 0.00 0.00 179.25 180.17 3dht h GLU 7 N 0.00 0.00 0.07 0.00 4.81 -1.77 -3.15 114.58 114.54 3dht h GLU 7 Ca 0.00 0.00 -0.32 0.00 -0.13 0.00 0.00 59.36 58.91 3dht h GLU 7 Cb 0.60 0.00 -0.03 0.00 0.63 0.00 0.00 28.75 29.95 3dht h GLU 7 CO 0.00 0.00 -1.76 0.87 -0.73 0.00 0.00 179.01 177.39 3dht h LYS 8 N 0.00 0.15 0.00 1.92 1.79 0.11 -3.34 116.57 117.20 3dht h LYS 8 Ca 0.00 -0.26 -0.04 0.00 -2.18 0.00 0.00 60.65 58.17 3dht h LYS 8 Cb 0.84 0.10 -0.01 0.00 -1.58 0.00 0.00 32.23 31.58 3dht h LYS 8 CO 0.00 0.90 -0.29 0.00 -1.08 0.00 0.00 179.45 178.98 3dht h ALA 9 N 0.56 0.84 -0.44 3.86 0.00 -1.41 -3.01 119.26 119.66 3dht h ALA 9 Ca -0.32 -0.20 -0.15 0.00 0.00 0.00 0.00 54.91 54.25 3dht h ALA 9 Cb 2.02 -0.02 -0.01 0.00 0.00 0.00 0.00 17.79 19.78 3dht h ALA 9 CO 0.10 0.26 -0.30 0.00 0.00 0.00 0.00 179.25 179.31 3dht h ALA 10 N 1.80 0.62 0.34 0.00 0.00 -1.71 -2.50 119.26 117.80 3dht h ALA 10 Ca -0.01 -0.42 -0.02 0.00 0.00 0.00 0.00 54.91 54.46 3dht h ALA 10 Cb 1.16 -0.14 0.00 0.00 0.00 0.00 0.00 17.79 18.81 3dht h ALA 10 CO 0.03 0.67 -0.16 0.28 0.00 0.00 0.00 179.25 180.07 3dht h VAL 11 N 0.81 0.52 0.00 0.00 2.07 -1.67 -2.09 116.25 115.89 3dht h VAL 11 Ca 0.09 -0.71 -0.01 0.00 0.82 0.00 0.00 66.70 66.88 3dht h VAL 11 Cb 0.89 0.80 -0.00 0.00 -1.52 0.00 0.00 31.29 31.46 3dht h VAL 11 CO 0.08 0.11 -0.05 -0.55 0.02 0.00 0.00 177.57 177.18 3dht h ASN 12 N -0.92 0.00 0.10 0.57 -1.07 -1.66 -0.50 115.58 112.09 3dht h ASN 12 Ca -0.05 0.00 -0.13 0.00 0.07 0.00 0.00 56.30 56.19 3dht h ASN 12 Cb 0.52 0.00 0.02 0.00 -2.07 0.00 0.00 38.32 36.79 3dht h ASN 12 CO 0.08 0.05 -0.58 1.23 0.07 0.00 0.00 177.43 178.28 3dht h GLY 13 N 2.30 0.24 1.65 9.14 0.00 -1.52 -3.00 103.07 111.89 3dht h GLY 13 Ca -0.00 -0.62 -0.22 0.00 0.00 0.00 0.00 47.33 46.49 3dht h GLY 13 CO 0.01 0.54 -0.95 1.41 0.00 0.00 0.00 176.54 177.55 3dht h LEU 14 N -0.56 0.40 -2.64 3.11 3.38 -1.34 -2.00 115.31 115.67 3dht h LEU 14 Ca -0.10 -0.34 0.00 0.00 0.09 0.00 0.00 57.88 57.53 3dht h LEU 14 Cb 1.46 -0.12 -0.00 0.00 0.09 0.00 0.00 40.66 42.08 3dht h LEU 14 CO 0.11 1.15 0.01 -0.25 0.09 0.00 0.00 178.44 179.55 3dht h TRP 15 N 0.16 0.00 -0.64 1.13 2.91 -1.25 -2.86 115.95 115.40 3dht h TRP 15 Ca -0.07 0.00 0.09 0.00 1.13 0.00 0.00 58.89 60.04 3dht h TRP 15 Cb 1.59 0.00 -0.07 0.00 -0.51 0.00 0.00 29.16 30.17 3dht h TRP 15 CO 0.05 0.00 0.27 0.78 -1.03 0.00 0.00 178.44 178.51 3dht h GLY 16 N 0.00 0.93 -2.45 2.65 0.00 -1.20 -3.16 103.07 99.83 3dht h GLY 16 Ca 0.00 -0.15 -0.03 0.00 0.00 0.00 0.00 47.33 47.15 3dht h GLY 16 CO -0.00 0.00 0.02 0.58 0.00 0.00 0.00 176.54 177.15 3dht n LYS 17 N -4.95 3.60 -4.04 4.80 2.85 -1.08 -4.92 118.16 114.43 3dht n LYS 17 Ca 0.10 -2.99 -0.33 0.00 -1.05 0.00 0.00 58.31 54.03 3dht n LYS 17 Cb 0.28 -2.02 -0.06 0.00 -0.65 0.00 0.00 35.03 32.57 3dht n LYS 17 CO 0.00 0.00 0.00 0.14 -0.05 0.00 0.00 177.40 177.49 3dht s VAL 18 N -2.85 4.98 -0.48 0.58 -7.23 -1.19 -5.01 120.40 109.19 3dht s VAL 18 Ca 0.48 -0.29 -0.29 0.00 -1.81 0.00 0.00 61.98 60.07 3dht s VAL 18 Cb 0.38 -3.28 0.03 0.00 0.56 0.00 0.00 36.38 34.07 3dht s VAL 18 CO 0.11 0.37 1.16 0.21 -0.31 0.00 0.00 175.10 176.64 3dht s ASN 19 N -1.72 6.61 0.25 4.85 3.84 -1.26 -4.92 114.94 122.58 3dht s ASN 19 Ca 0.23 0.48 -0.05 0.00 0.21 0.00 0.00 52.86 53.73 3dht s ASN 19 Cb -0.12 -2.55 0.31 0.00 -0.55 0.00 0.00 41.25 38.34 3dht s ASN 19 CO 0.14 -1.28 1.89 -0.65 -2.79 0.00 0.00 177.10 174.42 3dht h PRO 20 N 9.35 1.16 -0.62 0.43 0.11 -1.98 -2.15 132.00 138.29 3dht h PRO 20 Ca -0.23 -0.07 0.10 0.00 0.11 0.00 0.00 66.00 65.91 3dht h PRO 20 Cb 1.06 -0.26 -0.04 0.00 0.11 0.00 0.00 31.00 31.87 3dht h PRO 20 CO 1.13 0.77 0.42 -0.44 -0.21 0.00 0.00 178.00 179.66 3dht h ASP 21 N 1.19 0.39 0.29 -2.05 3.32 -1.91 -1.01 116.42 116.64 3dht h ASP 21 Ca 0.38 0.01 -0.33 0.00 0.02 0.00 0.00 57.03 57.11 3dht h ASP 21 Cb 0.02 -0.07 -0.02 0.00 0.22 0.00 0.00 39.33 39.47 3dht h ASP 21 CO -0.13 0.23 -1.82 0.44 -1.72 0.00 0.00 179.24 176.25 3dht h ASP 22 N 0.43 0.32 -0.65 6.45 3.32 -1.82 -3.02 116.42 121.45 3dht h ASP 22 Ca 0.29 -0.63 0.09 0.00 0.02 0.00 0.00 57.03 56.80 3dht h ASP 22 Cb 0.56 -0.10 -0.07 0.00 0.22 0.00 0.00 39.33 39.94 3dht h ASP 22 CO -0.08 1.55 0.31 0.58 -1.72 0.00 0.00 179.24 179.88 3dht h VAL 23 N 0.06 0.85 -0.07 -1.35 2.07 -1.01 0.64 116.25 117.43 3dht h VAL 23 Ca -0.35 -0.19 -0.02 0.00 0.82 0.00 0.00 66.70 66.97 3dht h VAL 23 Cb 2.03 0.26 -0.00 0.00 -1.52 0.00 0.00 31.29 32.06 3dht h VAL 23 CO 0.11 0.10 -0.02 1.23 0.02 0.00 0.00 177.57 179.01 3dht h GLY 24 N 0.54 0.14 2.00 2.17 0.00 -1.31 -1.00 103.07 105.61 3dht h GLY 24 Ca 0.32 -0.12 -0.07 0.00 0.00 0.00 0.00 47.33 47.46 3dht h GLY 24 CO -0.26 0.11 -0.32 -1.33 0.00 0.00 0.00 176.54 174.74 3dht h GLY 25 N -0.21 0.00 1.03 4.60 0.00 -1.44 -2.18 103.07 104.87 3dht h GLY 25 Ca 0.02 0.00 -0.34 0.00 0.00 0.00 0.00 47.33 47.01 3dht h GLY 25 CO 0.01 0.00 -1.68 -2.09 0.00 0.00 0.00 176.54 172.78 3dht h GLU 26 N 0.00 0.36 -0.30 4.80 4.81 -0.86 -0.61 114.58 122.79 3dht h GLU 26 Ca -0.00 -0.62 -0.04 0.00 -0.13 0.00 0.00 59.36 58.56 3dht h GLU 26 Cb 0.69 0.23 -0.01 0.00 0.63 0.00 0.00 28.75 30.29 3dht h GLU 26 CO 0.04 1.26 0.02 0.00 -0.73 0.00 0.00 179.01 179.60 3dht h ALA 27 N 0.23 0.40 -0.61 2.92 0.00 -1.21 0.57 119.26 121.56 3dht h ALA 27 Ca -0.31 -0.22 -0.07 0.00 0.00 0.00 0.00 54.91 54.31 3dht h ALA 27 Cb 2.08 -0.11 -0.03 0.00 0.00 0.00 0.00 17.79 19.74 3dht h ALA 27 CO 0.18 0.13 0.09 1.25 0.00 0.00 0.00 179.25 180.90 3dht h LEU 28 N 0.32 0.96 0.70 0.00 6.46 -1.51 -1.24 115.31 121.01 3dht h LEU 28 Ca 0.09 -0.22 -0.03 0.00 -0.12 0.00 0.00 57.88 57.60 3dht h LEU 28 Cb 0.40 -0.25 -0.00 0.00 -0.73 0.00 0.00 40.66 40.07 3dht h LEU 28 CO 0.01 0.97 -0.43 1.23 -0.62 0.00 0.00 178.44 179.60 3dht h GLY 29 N 1.03 -1.16 0.87 3.75 0.00 -0.74 -3.05 103.07 103.77 3dht h GLY 29 Ca 0.19 0.47 0.03 0.00 0.00 0.00 0.00 47.33 48.02 3dht h GLY 29 CO 0.01 -0.40 0.45 3.21 0.00 0.00 0.00 176.54 179.81 3dht h ARG 30 N -1.06 0.86 -0.50 4.80 3.08 0.21 -3.08 114.38 118.68 3dht h ARG 30 Ca -0.09 -0.05 0.10 0.00 0.07 0.00 0.00 59.98 60.01 3dht h ARG 30 Cb 0.85 -0.19 -0.09 0.00 0.08 0.00 0.00 29.97 30.62 3dht h ARG 30 CO 0.09 0.57 -0.11 1.25 -1.07 0.00 0.00 179.97 180.70 3dht h LEU 31 N 0.89 -0.44 -1.02 3.04 5.85 -1.16 0.23 115.31 122.70 3dht h LEU 31 Ca 0.29 0.15 -0.07 0.00 0.84 0.00 0.00 57.88 59.09 3dht h LEU 31 Cb 0.02 0.30 -0.02 0.00 0.37 0.00 0.00 40.66 41.33 3dht h LEU 31 CO -0.11 -0.16 -0.03 -0.07 -0.34 0.00 0.00 178.44 177.73 3dht h LEU 32 N 0.01 0.64 -0.29 2.25 3.38 -1.45 0.92 115.31 120.77 3dht h LEU 32 Ca 0.24 -0.15 -0.14 0.00 0.09 0.00 0.00 57.88 57.92 3dht h LEU 32 Cb 0.37 -0.17 -0.00 0.00 0.09 0.00 0.00 40.66 40.95 3dht h LEU 32 CO -0.51 0.73 -0.36 0.58 0.09 0.00 0.00 178.44 178.97 3dht h VAL 33 N 0.63 1.30 0.00 1.22 2.07 -1.23 -3.17 116.25 117.06 3dht h VAL 33 Ca 0.12 -1.54 -0.09 0.00 0.82 0.00 0.00 66.70 66.01 3dht h VAL 33 Cb 0.44 1.60 -0.01 0.00 -1.52 0.00 0.00 31.29 31.79 3dht h VAL 33 CO 0.02 0.50 -0.77 0.58 0.02 0.00 0.00 177.57 177.91 3dht h VAL 34 N 0.51 0.46 -2.63 2.57 2.07 -0.87 -3.40 116.25 114.97 3dht h VAL 34 Ca 0.04 -1.74 -0.60 0.00 0.82 0.00 0.00 66.70 65.23 3dht h VAL 34 Cb 0.95 2.08 -0.39 0.00 -1.52 0.00 0.00 31.29 32.40 3dht h VAL 34 CO 0.09 0.26 -0.85 -0.31 0.02 0.00 0.00 177.57 176.78 3dht s TYR 35 N -3.06 1.49 -0.49 1.57 2.02 0.31 -5.01 117.35 114.17 3dht s TYR 35 Ca 0.02 -2.30 0.24 0.00 -0.37 0.00 0.00 57.07 54.66 3dht s TYR 35 Cb 0.08 -1.33 0.97 0.00 -0.40 0.00 0.00 41.96 41.28 3dht s TYR 35 CO 0.76 -0.78 1.72 -2.30 -1.57 0.00 0.00 175.55 173.38 3dht n PRO 36 N 3.17 0.20 0.19 -1.71 -0.02 -1.20 -1.94 135.00 133.70 3dht n PRO 36 Ca 0.20 0.41 0.14 0.00 -2.02 0.00 0.00 63.50 62.23 3dht n PRO 36 Cb 0.41 -1.87 0.58 0.00 -0.02 0.00 0.00 33.50 32.60 3dht n PRO 36 CO 0.00 0.00 0.00 0.11 1.98 0.00 0.00 175.50 177.59 3dht h TRP 37 N 0.00 0.00 0.00 6.00 0.09 -1.94 -2.48 115.95 117.62 3dht h TRP 37 Ca 0.00 0.00 0.00 0.00 0.09 0.00 0.00 58.89 58.98 3dht h TRP 37 Cb 0.40 0.00 0.00 0.00 0.08 0.00 0.00 29.16 29.64 3dht h TRP 37 CO 0.00 0.00 0.00 0.25 0.09 0.00 0.00 178.44 178.78 3dht n THR 38 N -2.59 0.76 0.08 0.12 -2.24 -0.82 -3.02 114.28 106.56 3dht n THR 38 Ca 0.01 0.12 -0.06 0.00 -2.27 0.00 0.00 64.05 61.85 3dht n THR 38 Cb 0.25 -0.99 0.10 0.00 -2.10 0.00 0.00 70.33 67.60 3dht n THR 38 CO 0.00 0.00 0.00 1.56 -0.57 0.00 0.00 175.07 176.06 3dht h GLN 39 N 0.00 0.27 -0.95 -0.78 4.20 -1.64 -3.18 115.11 113.03 3dht h GLN 39 Ca 0.00 -0.19 0.08 0.00 0.06 0.00 0.00 58.65 58.60 3dht h GLN 39 Cb 0.43 0.03 -0.07 0.00 0.30 0.00 0.00 27.48 28.17 3dht h GLN 39 CO 0.00 0.81 0.60 -0.09 -0.67 0.00 0.00 178.83 179.48 3dht h ARG 40 N 0.20 1.02 -0.10 1.46 2.43 -1.72 -1.20 114.38 116.47 3dht h ARG 40 Ca -0.01 -0.06 -0.06 0.00 -0.81 0.00 0.00 59.98 59.04 3dht h ARG 40 Cb 1.15 -0.23 -0.01 0.00 -0.42 0.00 0.00 29.97 30.45 3dht h ARG 40 CO 0.10 0.68 -0.21 1.88 -1.51 0.00 0.00 179.97 180.91 3dht h TYR 41 N 1.05 0.17 -1.39 2.20 -1.99 -1.72 -3.05 116.97 112.25 3dht h TYR 41 Ca 0.43 -0.02 -0.69 0.00 2.00 0.00 0.00 58.73 60.45 3dht h TYR 41 Cb 0.25 -0.05 -0.31 0.00 2.00 0.00 0.00 36.73 38.63 3dht h TYR 41 CO -0.02 0.37 0.59 1.19 -0.00 0.00 0.00 178.16 180.30 3dht n PHE 42 N -4.23 3.11 0.28 4.88 3.01 -0.47 -4.77 117.46 119.27 3dht n PHE 42 Ca -0.01 -2.69 0.16 0.00 1.01 0.00 0.00 57.45 55.92 3dht n PHE 42 Cb 0.31 -1.09 0.86 0.00 -0.01 0.00 0.00 39.48 39.55 3dht n PHE 42 CO 0.00 0.00 0.00 0.38 1.01 0.00 0.00 176.76 178.15 3dht h ASP 43 N 2.45 0.00 -0.45 4.37 3.04 -1.40 -2.94 116.42 121.49 3dht h ASP 43 Ca 0.54 0.00 0.00 0.00 -3.24 0.00 0.00 57.03 54.33 3dht h ASP 43 Cb 0.61 0.00 0.00 0.00 -1.04 0.00 0.00 39.33 38.90 3dht h ASP 43 CO 1.37 0.00 0.00 -0.24 -2.04 0.00 0.00 179.24 178.33 3dht n SER 44 N -2.72 2.53 -1.46 4.15 2.88 -1.26 -4.34 113.62 113.40 3dht n SER 44 Ca -0.02 -1.98 0.03 0.00 -1.33 0.00 0.00 58.87 55.57 3dht n SER 44 Cb 0.19 -0.30 0.30 0.00 -0.75 0.00 0.00 64.21 63.65 3dht n SER 44 CO 0.00 0.00 0.00 0.49 -1.23 0.00 0.00 175.04 174.30 3dht n PHE 45 N 0.88 1.65 -2.92 0.66 3.01 -1.11 -5.07 117.46 114.57 3dht n PHE 45 Ca 0.16 -1.03 0.00 0.00 1.01 0.00 0.00 57.45 57.59 3dht n PHE 45 Cb 0.41 -0.49 0.00 0.00 -0.01 0.00 0.00 39.48 39.39 3dht n PHE 45 CO 0.00 0.00 0.00 0.41 1.01 0.00 0.00 176.76 178.18 3dht n GLY 46 N -0.25 -1.41 3.83 1.37 0.00 -1.26 -4.86 105.19 102.61 3dht n GLY 46 Ca 0.30 -1.47 -0.32 0.00 0.00 0.00 0.00 46.02 44.52 3dht n GLY 46 CO 0.00 0.00 0.00 0.51 0.00 0.00 0.00 173.32 173.83 3dht s ASP 47 N -4.00 6.58 -0.34 1.61 -4.77 -1.26 -4.97 116.67 109.52 3dht s ASP 47 Ca 0.00 1.64 0.16 0.00 -3.30 0.00 0.00 52.55 51.05 3dht s ASP 47 Cb 0.00 -2.52 0.44 0.00 -1.09 0.00 0.00 42.92 39.74 3dht s ASP 47 CO 0.00 -0.61 0.92 0.18 0.70 0.00 0.00 175.17 176.35 3dht n LEU 48 N -1.40 1.53 0.19 2.11 4.77 -1.26 -4.77 117.00 118.17 3dht n LEU 48 Ca 0.07 -4.06 0.08 0.00 -0.03 0.00 0.00 56.01 52.07 3dht n LEU 48 Cb 0.54 0.43 0.19 0.00 -2.33 0.00 0.00 43.42 42.24 3dht n LEU 48 CO 0.44 1.74 0.68 0.77 -1.33 0.00 0.00 177.39 179.69 3dht h SER 49 N 2.98 0.00 -5.27 -1.43 4.64 -1.95 -3.46 113.55 109.07 3dht h SER 49 Ca -0.04 0.00 -0.08 0.00 -0.47 0.00 0.00 61.79 61.20 3dht h SER 49 Cb 1.12 0.00 -0.08 0.00 -0.31 0.00 0.00 62.40 63.12 3dht h SER 49 CO 0.52 0.25 -0.11 -0.94 -0.87 0.00 0.00 176.83 175.68 3dht s SER 50 N -6.28 0.05 0.34 4.97 1.04 -1.26 -5.02 113.70 107.53 3dht s SER 50 Ca 0.04 -1.02 0.09 0.00 0.48 0.00 0.00 55.95 55.55 3dht s SER 50 Cb 0.07 0.61 0.83 0.00 0.10 0.00 0.00 66.02 67.64 3dht s SER 50 CO 0.69 -1.19 1.80 0.00 0.98 0.00 0.00 173.24 175.52 3dht h ALA 51 N 2.22 1.83 0.44 5.32 0.00 -1.97 -2.20 119.26 124.90 3dht h ALA 51 Ca -0.27 0.06 -0.02 0.00 0.00 0.00 0.00 54.91 54.68 3dht h ALA 51 Cb 1.25 -0.08 0.00 0.00 0.00 0.00 0.00 17.79 18.97 3dht h ALA 51 CO 0.36 -0.17 -0.21 0.77 0.00 0.00 0.00 179.25 180.00 3dht h SER 52 N 0.67 -0.50 -1.41 0.00 0.02 -1.99 -3.26 113.55 107.08 3dht h SER 52 Ca 0.54 -0.04 0.42 0.00 -0.84 0.00 0.00 61.79 61.87 3dht h SER 52 Cb 0.96 0.13 -0.09 0.00 0.14 0.00 0.00 62.40 63.55 3dht h SER 52 CO -0.31 -0.07 0.97 0.00 -1.14 0.00 0.00 176.83 176.28 3dht h ALA 53 N -0.99 3.06 -0.53 3.77 0.00 -1.87 0.19 119.26 122.89 3dht h ALA 53 Ca -0.06 0.02 0.00 0.00 0.00 0.00 0.00 54.91 54.87 3dht h ALA 53 Cb 0.51 0.13 0.00 0.00 0.00 0.00 0.00 17.79 18.43 3dht h ALA 53 CO 0.10 -1.56 0.00 0.44 0.00 0.00 0.00 179.25 178.22 3dht n ILE 54 N -4.35 2.68 0.00 0.00 -5.35 -0.86 -3.64 119.36 107.85 3dht n ILE 54 Ca 0.34 -1.47 0.00 0.00 -0.27 0.00 0.00 62.75 61.35 3dht n ILE 54 Cb 1.45 -0.26 0.00 0.00 -1.74 0.00 0.00 39.64 39.09 3dht n ILE 54 CO 0.00 0.00 0.00 0.23 -1.76 0.00 0.00 176.55 175.02 3dht n MET 55 N 0.47 1.31 0.11 6.28 2.81 0.62 -4.73 117.12 124.00 3dht n MET 55 Ca 0.27 0.00 0.12 0.00 -1.81 0.00 0.00 57.70 56.28 3dht n MET 55 Cb 1.15 -0.68 0.04 0.00 -0.71 0.00 0.00 33.22 33.02 3dht n MET 55 CO 0.00 0.00 0.00 0.78 1.51 0.00 0.00 175.97 178.26 3dht h GLY 56 N 0.00 0.00 -7.10 3.03 0.00 -1.68 -3.47 103.07 93.85 3dht h GLY 56 Ca 0.00 0.00 -0.61 0.00 0.00 0.00 0.00 47.33 46.72 3dht h GLY 56 CO 0.00 0.00 1.52 -2.01 0.00 0.00 0.00 176.54 176.05 3dht n ASN 57 N -2.63 1.74 0.28 0.19 2.85 -1.24 -4.84 115.26 111.61 3dht n ASN 57 Ca 0.01 0.22 0.16 0.00 -0.11 0.00 0.00 54.58 54.85 3dht n ASN 57 Cb 0.53 -1.24 0.91 0.00 1.24 0.00 0.00 39.78 41.22 3dht n ASN 57 CO 0.00 0.00 0.00 -0.65 -2.11 0.00 0.00 177.26 174.50 3dht h PRO 58 N 13.44 0.00 0.01 1.20 0.11 -1.93 -2.41 132.00 142.43 3dht h PRO 58 Ca -0.21 0.00 -0.20 0.00 0.11 0.00 0.00 66.00 65.70 3dht h PRO 58 Cb 1.32 0.00 -0.02 0.00 0.11 0.00 0.00 31.00 32.41 3dht h PRO 58 CO 1.12 0.00 -0.91 -0.22 -0.21 0.00 0.00 178.00 177.78 3dht h LYS 59 N 0.00 0.06 -0.17 1.05 3.64 -1.89 -1.14 116.57 118.12 3dht h LYS 59 Ca 0.02 -0.08 -0.04 0.00 -1.27 0.00 0.00 60.65 59.28 3dht h LYS 59 Cb 0.10 0.03 -0.01 0.00 -0.41 0.00 0.00 32.23 31.95 3dht h LYS 59 CO -0.00 0.93 -0.03 0.28 -2.27 0.00 0.00 179.45 178.36 3dht h VAL 60 N 0.03 1.28 -0.47 2.00 2.07 -1.77 -1.67 116.25 117.72 3dht h VAL 60 Ca -0.03 -0.97 0.00 0.00 0.82 0.00 0.00 66.70 66.52 3dht h VAL 60 Cb 1.59 1.57 -0.02 0.00 -1.52 0.00 0.00 31.29 32.90 3dht h VAL 60 CO 0.13 0.29 0.30 0.11 0.02 0.00 0.00 177.57 178.42 3dht h LYS 61 N 0.05 0.63 -0.56 1.57 1.57 -1.49 -1.51 116.57 116.83 3dht h LYS 61 Ca 0.05 -0.05 0.01 0.00 -1.87 0.00 0.00 60.65 58.79 3dht h LYS 61 Cb 0.46 -0.14 -0.03 0.00 0.08 0.00 0.00 32.23 32.60 3dht h LYS 61 CO 0.02 0.45 0.37 0.00 -0.57 0.00 0.00 179.45 179.71 3dht h ALA 62 N 1.15 0.72 -0.47 3.86 0.00 -1.17 -2.61 119.26 120.74 3dht h ALA 62 Ca 0.17 -0.03 -0.13 0.00 0.00 0.00 0.00 54.91 54.92 3dht h ALA 62 Cb -0.04 -0.21 -0.01 0.00 0.00 0.00 0.00 17.79 17.53 3dht h ALA 62 CO -0.03 0.13 -0.22 1.25 0.00 0.00 0.00 179.25 180.38 3dht h HIS 63 N 0.74 1.11 0.00 0.00 -0.00 -1.16 -2.96 115.15 112.88 3dht h HIS 63 Ca 0.21 -0.27 0.00 0.00 -0.00 0.00 0.00 60.37 60.32 3dht h HIS 63 Cb -0.06 -0.26 0.00 0.00 -0.00 0.00 0.00 27.41 27.09 3dht h HIS 63 CO -0.04 1.08 0.00 0.41 -0.00 0.00 0.00 177.93 179.38 3dht n GLY 64 N -0.13 -0.74 0.12 5.26 0.00 -0.58 -1.78 105.19 107.34 3dht n GLY 64 Ca 0.00 -0.06 -0.21 0.00 0.00 0.00 0.00 46.02 45.75 3dht n GLY 64 CO 0.00 0.00 0.00 1.70 0.00 0.00 0.00 173.32 175.02 3dht h LYS 65 N 0.00 0.14 -0.04 1.61 3.64 -1.32 -3.06 116.57 117.53 3dht h LYS 65 Ca 0.00 -0.24 0.01 0.00 -1.27 0.00 0.00 60.65 59.16 3dht h LYS 65 Cb 0.13 0.09 -0.00 0.00 -0.41 0.00 0.00 32.23 32.04 3dht h LYS 65 CO 0.00 1.11 0.04 0.87 -2.27 0.00 0.00 179.45 179.20 3dht h LYS 66 N -0.56 0.00 -0.11 1.90 1.79 -1.37 -1.35 116.57 116.87 3dht h LYS 66 Ca -0.32 0.00 -0.14 0.00 -2.18 0.00 0.00 60.65 58.02 3dht h LYS 66 Cb 1.58 0.00 0.01 0.00 -1.58 0.00 0.00 32.23 32.23 3dht h LYS 66 CO -0.04 0.00 -0.47 0.28 -1.08 0.00 0.00 179.45 178.14 3dht h VAL 67 N 0.00 1.37 -0.07 0.50 2.07 -1.47 -3.21 116.25 115.44 3dht h VAL 67 Ca 0.02 -1.79 -0.13 0.00 0.82 0.00 0.00 66.70 65.62 3dht h VAL 67 Cb 0.09 2.17 -0.01 0.00 -1.52 0.00 0.00 31.29 32.02 3dht h VAL 67 CO -0.00 0.54 -0.55 -0.29 0.02 0.00 0.00 177.57 177.28 3dht h ILE 68 N 0.11 1.37 -0.09 4.57 6.09 -1.27 -2.02 117.51 126.27 3dht h ILE 68 Ca -0.03 -1.86 -0.13 0.00 -1.37 0.00 0.00 64.86 61.47 3dht h ILE 68 Cb 1.11 1.93 -0.01 0.00 0.47 0.00 0.00 36.82 40.32 3dht h ILE 68 CO 0.10 0.55 -0.52 0.78 -3.07 0.00 0.00 178.15 175.99 3dht h ASN 69 N 0.16 0.27 -0.28 2.19 -0.26 -1.38 0.17 115.58 116.44 3dht h ASN 69 Ca 0.00 -0.13 -0.10 0.00 -0.56 0.00 0.00 56.30 55.50 3dht h ASN 69 Cb 1.02 -0.08 -0.01 0.00 -1.06 0.00 0.00 38.32 38.20 3dht h ASN 69 CO 0.08 0.74 -0.23 0.00 -1.06 0.00 0.00 177.43 176.96 3dht h ALA 70 N 1.27 0.41 -0.83 -0.83 0.00 -1.53 -2.24 119.26 115.50 3dht h ALA 70 Ca 0.01 -0.37 0.02 0.00 0.00 0.00 0.00 54.91 54.56 3dht h ALA 70 Cb 0.98 -0.09 -0.04 0.00 0.00 0.00 0.00 17.79 18.64 3dht h ALA 70 CO 0.08 0.38 0.55 0.35 0.00 0.00 0.00 179.25 180.61 3dht h PHE 71 N 0.39 1.02 -0.84 0.00 3.57 -1.07 -1.15 116.94 118.86 3dht h PHE 71 Ca 0.05 0.02 -0.02 0.00 3.53 0.00 0.00 57.97 61.55 3dht h PHE 71 Cb 0.79 -0.34 -0.04 0.00 2.79 0.00 0.00 35.95 39.15 3dht h PHE 71 CO 0.07 0.61 0.44 -0.97 -2.23 0.00 0.00 178.31 176.23 3dht h ASN 72 N 1.07 1.06 -0.06 0.41 -1.24 -0.57 -2.23 115.58 114.02 3dht h ASN 72 Ca 0.32 -0.10 0.03 0.00 0.71 0.00 0.00 56.30 57.26 3dht h ASN 72 Cb -0.04 -0.27 -0.04 0.00 0.73 0.00 0.00 38.32 38.70 3dht h ASN 72 CO -0.08 0.86 -0.15 0.44 -1.29 0.00 0.00 177.43 177.21 3dht h ASP 73 N 1.18 -0.47 -0.96 1.15 3.32 -0.68 -2.29 116.42 117.67 3dht h ASP 73 Ca 0.29 0.08 0.14 0.00 0.02 0.00 0.00 57.03 57.56 3dht h ASP 73 Cb 0.06 0.21 -0.15 0.00 0.22 0.00 0.00 39.33 39.66 3dht h ASP 73 CO -0.04 -0.21 -0.40 0.61 -1.72 0.00 0.00 179.24 177.48 3dht n GLY 74 N -1.29 -2.06 0.37 2.75 0.00 -0.53 -0.48 105.19 103.95 3dht n GLY 74 Ca -0.04 1.09 -0.03 0.00 0.00 0.00 0.00 46.02 47.04 3dht n GLY 74 CO 0.00 0.00 0.00 1.41 0.00 0.00 0.00 173.32 174.73 3dht h LEU 75 N 0.00 1.13 -0.99 0.99 3.38 -1.19 -2.36 115.31 116.28 3dht h LEU 75 Ca 0.31 -0.06 -0.10 0.00 0.09 0.00 0.00 57.88 58.12 3dht h LEU 75 Cb 0.55 -0.29 -0.01 0.00 0.09 0.00 0.00 40.66 41.00 3dht h LEU 75 CO -0.95 0.85 -0.42 0.11 0.09 0.00 0.00 178.44 178.13 3dht h LYS 76 N 1.31 0.18 -1.10 1.13 1.79 -0.22 -3.33 116.57 116.33 3dht h LYS 76 Ca 0.35 -0.09 -0.49 0.00 -2.18 0.00 0.00 60.65 58.23 3dht h LYS 76 Cb -0.09 -0.00 -0.42 0.00 -1.58 0.00 0.00 32.23 30.14 3dht h LYS 76 CO -0.07 0.57 -0.89 0.72 -1.08 0.00 0.00 179.45 178.70 3dht n HIS 77 N -4.02 2.55 0.17 -1.35 8.25 -0.29 -4.85 115.22 115.68 3dht n HIS 77 Ca -0.02 -2.72 0.09 0.00 -0.26 0.00 0.00 57.72 54.82 3dht n HIS 77 Cb 0.47 -0.22 0.48 0.00 1.12 0.00 0.00 29.99 31.84 3dht n HIS 77 CO 0.00 0.00 0.00 1.28 0.64 0.00 0.00 176.34 178.26 3dht n LEU 78 N -0.46 0.47 -0.10 2.41 4.77 -0.93 -0.92 117.00 122.24 3dht n LEU 78 Ca 0.30 0.70 -0.07 0.00 -0.03 0.00 0.00 56.01 56.92 3dht n LEU 78 Cb 0.78 -0.74 0.01 0.00 -2.33 0.00 0.00 43.42 41.14 3dht n LEU 78 CO 0.31 -0.82 0.94 0.44 -1.33 0.00 0.00 177.39 176.93 3dht h ASP 79 N 0.00 0.13 -2.78 -1.43 3.32 -1.88 -3.39 116.42 110.39 3dht h ASP 79 Ca 0.00 0.04 -0.60 0.00 0.02 0.00 0.00 57.03 56.49 3dht h ASP 79 Cb 0.05 0.02 -0.39 0.00 0.22 0.00 0.00 39.33 39.23 3dht h ASP 79 CO 0.00 0.11 -0.82 0.21 -1.72 0.00 0.00 179.24 177.02 3dht s ASN 80 N -5.36 2.81 0.26 6.45 2.47 -0.10 -4.93 114.94 116.55 3dht s ASN 80 Ca -0.13 -3.06 -0.01 0.00 0.42 0.00 0.00 52.86 50.08 3dht s ASN 80 Cb 0.12 -0.82 0.34 0.00 -1.45 0.00 0.00 41.25 39.44 3dht s ASN 80 CO 0.71 -0.19 1.73 -0.07 -3.72 0.00 0.00 177.10 175.56 3dht h LEU 81 N 5.96 0.67 -0.14 3.21 -0.00 -1.76 -2.84 115.31 120.40 3dht h LEU 81 Ca 0.16 -0.19 -0.09 0.00 -0.00 0.00 0.00 57.88 57.76 3dht h LEU 81 Cb 0.88 -0.18 0.00 0.00 -0.00 0.00 0.00 40.66 41.37 3dht h LEU 81 CO 0.46 0.82 -0.26 0.11 -0.00 0.00 0.00 178.44 179.57 3dht h LYS 82 N 0.62 0.43 0.41 1.13 6.56 -1.91 -2.22 116.57 121.58 3dht h LYS 82 Ca 0.11 -0.27 -0.02 0.00 -1.06 0.00 0.00 60.65 59.41 3dht h LYS 82 Cb 0.57 0.03 0.00 0.00 -0.57 0.00 0.00 32.23 32.26 3dht h LYS 82 CO 0.04 0.87 -0.20 0.78 -2.06 0.00 0.00 179.45 178.88 3dht h GLY 83 N 0.04 -0.57 0.04 3.86 0.00 -1.97 -0.54 103.07 103.93 3dht h GLY 83 Ca 0.01 0.21 0.19 0.00 0.00 0.00 0.00 47.33 47.74 3dht h GLY 83 CO 0.06 -0.21 0.48 -0.84 0.00 0.00 0.00 176.54 176.03 3dht h THR 84 N -0.55 0.63 -0.61 4.70 2.02 -1.53 -2.51 112.91 115.05 3dht h THR 84 Ca -0.06 -0.20 0.00 0.00 0.77 0.00 0.00 66.41 66.92 3dht h THR 84 Cb 0.42 -0.01 0.00 0.00 -1.74 0.00 0.00 68.15 66.83 3dht h THR 84 CO 0.09 0.11 0.00 0.49 0.37 0.00 0.00 175.52 176.58 3dht n PHE 85 N -4.90 0.81 0.04 3.16 3.01 -0.84 -4.59 117.46 114.15 3dht n PHE 85 Ca 0.21 -0.44 -0.12 0.00 1.01 0.00 0.00 57.45 58.10 3dht n PHE 85 Cb 0.56 -0.00 -0.06 0.00 -0.01 0.00 0.00 39.48 39.97 3dht n PHE 85 CO 0.00 0.00 0.00 0.00 1.01 0.00 0.00 176.76 177.77 3dht h ALA 86 N 4.03 -0.54 0.26 4.37 0.00 -0.62 0.57 119.26 127.33 3dht h ALA 86 Ca 0.00 -0.02 0.00 0.00 0.00 0.00 0.00 54.91 54.89 3dht h ALA 86 Cb 0.95 0.67 -0.02 0.00 0.00 0.00 0.00 17.79 19.40 3dht h ALA 86 CO 0.00 -0.88 -0.24 1.25 0.00 0.00 0.00 179.25 179.38 3dht h HIS 87 N -0.50 -0.63 0.00 0.00 -0.00 -1.81 -2.66 115.15 109.55 3dht h HIS 87 Ca 0.07 0.00 -0.03 0.00 -0.00 0.00 0.00 60.37 60.40 3dht h HIS 87 Cb 0.60 0.24 -0.00 0.00 -0.00 0.00 0.00 27.41 28.25 3dht h HIS 87 CO -0.41 -0.35 -0.16 -0.07 -0.00 0.00 0.00 177.93 176.94 3dht h LEU 88 N -0.52 0.00 -0.17 0.26 3.38 -1.81 -1.14 115.31 115.31 3dht h LEU 88 Ca -0.01 0.00 -0.05 0.00 0.09 0.00 0.00 57.88 57.92 3dht h LEU 88 Cb 0.47 0.00 -0.00 0.00 0.09 0.00 0.00 40.66 41.22 3dht h LEU 88 CO -0.04 0.16 -0.07 -1.28 0.09 0.00 0.00 178.44 177.30 3dht h SER 89 N 0.00 0.36 -0.52 -0.43 0.87 -0.77 -2.12 113.55 110.94 3dht h SER 89 Ca -0.00 -0.40 0.08 0.00 -1.23 0.00 0.00 61.79 60.24 3dht h SER 89 Cb 0.31 -0.10 -0.07 0.00 -0.44 0.00 0.00 62.40 62.11 3dht h SER 89 CO 0.02 0.68 0.15 -0.08 -0.53 0.00 0.00 176.83 177.07 3dht h GLU 90 N 0.04 0.30 -0.06 2.24 4.81 -1.03 -2.68 114.58 118.20 3dht h GLU 90 Ca 0.04 -0.02 0.02 0.00 -0.13 0.00 0.00 59.36 59.27 3dht h GLU 90 Cb 0.54 -0.07 -0.03 0.00 0.63 0.00 0.00 28.75 29.82 3dht h GLU 90 CO 0.02 0.20 -0.08 1.25 -0.73 0.00 0.00 179.01 179.67 3dht h LEU 91 N 0.31 -0.24 0.00 1.64 5.85 -1.13 0.35 115.31 122.09 3dht h LEU 91 Ca 0.26 0.05 0.00 0.00 0.84 0.00 0.00 57.88 59.03 3dht h LEU 91 Cb 0.32 0.12 0.00 0.00 0.37 0.00 0.00 40.66 41.47 3dht h LEU 91 CO -0.30 -0.11 0.00 1.41 -0.34 0.00 0.00 178.44 179.10 3dht n HIS 92 N -5.21 0.00 -0.01 1.25 8.25 -0.81 -2.38 115.22 116.32 3dht n HIS 92 Ca -0.05 0.00 -0.05 0.00 -0.26 0.00 0.00 57.72 57.36 3dht n HIS 92 Cb 0.13 -0.20 -0.02 0.00 1.12 0.00 0.00 29.99 31.03 3dht n HIS 92 CO 0.00 0.00 0.00 0.00 0.64 0.00 0.00 176.34 176.98 3dht h ASP 94 N -0.36 0.00 0.00 0.00 5.19 -1.04 -3.24 116.42 116.98 3dht h ASP 94 Ca -0.06 0.00 0.00 0.00 -0.62 0.00 0.00 57.03 56.35 3dht h ASP 94 Cb 0.57 0.00 0.00 0.00 0.18 0.00 0.00 39.33 40.08 3dht h ASP 94 CO -0.04 0.50 -0.56 1.17 -3.12 0.00 0.00 179.24 177.19 3dht n LYS 95 N -3.74 2.56 -0.01 3.56 3.00 -1.00 -4.80 118.16 117.73 3dht n LYS 95 Ca -0.01 0.00 0.01 0.00 -0.00 0.00 0.00 58.31 58.31 3dht n LYS 95 Cb 0.55 -0.75 -0.04 0.00 0.00 0.00 0.00 35.03 34.79 3dht n LYS 95 CO 0.00 0.00 0.00 1.28 0.00 0.00 0.00 177.40 178.68 3dht n LEU 96 N -1.09 0.00 -3.65 3.14 4.77 -1.07 -5.02 117.00 114.07 3dht n LEU 96 Ca 0.00 0.00 -0.24 0.00 -0.03 0.00 0.00 56.01 55.74 3dht n LEU 96 Cb 0.00 0.05 0.04 0.00 -2.33 0.00 0.00 43.42 41.18 3dht n LEU 96 CO 0.00 0.05 -0.07 1.41 -1.33 0.00 0.00 177.39 177.45 3dht n HIS 97 N -1.88 -1.97 -3.49 -1.77 8.25 -1.12 -4.96 115.22 108.29 3dht n HIS 97 Ca -0.04 0.69 -0.38 0.00 -0.26 0.00 0.00 57.72 57.73 3dht n HIS 97 Cb 0.34 -3.95 -0.09 0.00 1.12 0.00 0.00 29.99 27.41 3dht n HIS 97 CO 0.00 0.00 0.00 0.08 0.64 0.00 0.00 176.34 177.06 3dht s VAL 98 N -3.58 5.25 0.04 1.59 1.01 -0.89 -5.04 120.40 118.76 3dht s VAL 98 Ca 0.24 0.44 -0.30 0.00 0.00 0.00 0.00 61.98 62.36 3dht s VAL 98 Cb -0.07 -3.63 -0.08 0.00 0.00 0.00 0.00 36.38 32.60 3dht s VAL 98 CO 0.83 0.24 1.74 -0.62 0.00 0.00 0.00 175.10 177.29 3dht s ASP 99 N 1.39 6.56 0.59 3.32 2.15 -1.26 -4.87 116.67 124.55 3dht s ASP 99 Ca 0.13 2.50 0.32 0.00 0.43 0.00 0.00 52.55 55.92 3dht s ASP 99 Cb -0.15 -2.55 1.32 0.00 -0.30 0.00 0.00 42.92 41.24 3dht s ASP 99 CO 0.08 -0.95 1.63 -0.65 -0.17 0.00 0.00 175.17 175.12 3dht h PRO 100 N 9.16 0.00 -0.50 4.34 0.11 -1.96 0.92 132.00 144.07 3dht h PRO 100 Ca -0.44 0.00 0.10 0.00 0.11 0.00 0.00 66.00 65.78 3dht h PRO 100 Cb 1.21 0.00 -0.03 0.00 0.11 0.00 0.00 31.00 32.29 3dht h PRO 100 CO 0.94 0.00 0.34 1.49 -0.21 0.00 0.00 178.00 180.56 3dht h GLU 101 N 0.00 0.21 0.00 1.05 4.57 -1.99 -0.33 114.58 118.08 3dht h GLU 101 Ca 0.45 -0.01 -0.00 0.00 -1.18 0.00 0.00 59.36 58.61 3dht h GLU 101 Cb 2.27 -0.05 -0.00 0.00 -0.16 0.00 0.00 28.75 30.81 3dht h GLU 101 CO -0.00 0.14 -0.02 -0.91 -1.18 0.00 0.00 179.01 177.03 3dht h ASN 102 N 0.21 0.00 -0.03 1.04 4.21 -1.18 -2.96 115.58 116.88 3dht h ASN 102 Ca 0.23 0.00 -0.02 0.00 1.21 0.00 0.00 56.30 57.72 3dht h ASN 102 Cb 0.63 0.00 0.00 0.00 -1.12 0.00 0.00 38.32 37.83 3dht h ASN 102 CO -0.04 0.02 -0.06 -0.26 -1.29 0.00 0.00 177.43 175.80 3dht h PHE 103 N 0.00 0.12 0.00 1.19 0.04 -1.24 -2.48 116.94 114.58 3dht h PHE 103 Ca -0.00 -0.04 -0.05 0.00 2.80 0.00 0.00 57.97 60.68 3dht h PHE 103 Cb 0.12 -0.02 -0.01 0.00 2.20 0.00 0.00 35.95 38.24 3dht h PHE 103 CO 0.00 0.65 -0.22 0.07 -0.60 0.00 0.00 178.31 178.20 3dht h ARG 104 N -0.43 0.00 0.21 1.51 0.11 -1.64 0.87 114.38 115.01 3dht h ARG 104 Ca 0.00 0.00 -0.01 0.00 0.10 0.00 0.00 59.98 60.07 3dht h ARG 104 Cb 0.64 0.00 0.00 0.00 1.11 0.00 0.00 29.97 31.72 3dht h ARG 104 CO 0.01 0.22 -0.10 -0.07 0.10 0.00 0.00 179.97 180.14 3dht h LEU 105 N 0.00 -0.24 -0.65 0.08 3.38 -1.46 -1.53 115.31 114.89 3dht h LEU 105 Ca -0.00 -0.11 -0.03 0.00 0.09 0.00 0.00 57.88 57.84 3dht h LEU 105 Cb 0.45 0.06 -0.03 0.00 0.09 0.00 0.00 40.66 41.23 3dht h LEU 105 CO 0.03 -0.04 0.30 0.25 0.09 0.00 0.00 178.44 179.07 3dht h LEU 106 N -0.44 0.85 -0.84 1.67 5.85 -1.08 -2.49 115.31 118.85 3dht h LEU 106 Ca -0.03 -0.14 0.21 0.00 0.84 0.00 0.00 57.88 58.76 3dht h LEU 106 Cb 0.33 -0.22 -0.14 0.00 0.37 0.00 0.00 40.66 41.00 3dht h LEU 106 CO 0.05 0.75 0.06 1.23 -0.34 0.00 0.00 178.44 180.20 3dht h GLY 107 N 0.90 1.05 1.61 3.75 0.00 -0.73 0.26 103.07 109.91 3dht h GLY 107 Ca 0.22 0.09 -0.04 0.00 0.00 0.00 0.00 47.33 47.60 3dht h GLY 107 CO -0.03 -0.35 0.05 3.43 0.00 0.00 0.00 176.54 179.64 3dht h ASN 108 N 0.11 0.46 -0.47 0.19 -0.26 -0.82 -1.76 115.58 113.02 3dht h ASN 108 Ca 0.48 -0.07 -0.14 0.00 -0.56 0.00 0.00 56.30 56.02 3dht h ASN 108 Cb 0.92 -0.12 -0.01 0.00 -1.06 0.00 0.00 38.32 38.05 3dht h ASN 108 CO -0.72 0.49 -0.23 0.24 -1.06 0.00 0.00 177.43 176.14 3dht h MET 109 N 0.49 1.00 -0.34 0.81 2.86 -0.27 -1.60 114.93 117.87 3dht h MET 109 Ca 0.11 -0.44 0.00 0.00 -2.06 0.00 0.00 59.70 57.32 3dht h MET 109 Cb 0.24 -0.03 -0.02 0.00 0.06 0.00 0.00 31.60 31.85 3dht h MET 109 CO 0.00 1.11 0.22 0.82 1.06 0.00 0.00 176.91 180.13 3dht h ILE 110 N 0.85 1.10 -0.77 -1.22 2.04 -1.19 -2.06 117.51 116.26 3dht h ILE 110 Ca 0.11 -0.20 0.16 0.00 1.00 0.00 0.00 64.86 65.93 3dht h ILE 110 Cb 0.82 0.61 -0.10 0.00 -0.74 0.00 0.00 36.82 37.41 3dht h ILE 110 CO 0.07 0.10 0.29 0.58 0.00 0.00 0.00 178.15 179.19 3dht h VAL 111 N 0.46 0.60 0.00 1.67 2.07 -0.72 -1.68 116.25 118.65 3dht h VAL 111 Ca 0.12 -0.14 0.00 0.00 0.82 0.00 0.00 66.70 67.51 3dht h VAL 111 Cb -0.03 0.16 0.00 0.00 -1.52 0.00 0.00 31.29 29.90 3dht h VAL 111 CO -0.03 0.07 -1.39 2.30 0.02 0.00 0.00 177.57 178.54 3dht n ILE 112 N -5.04 0.31 -0.15 4.57 -5.35 -0.66 -3.07 119.36 109.97 3dht n ILE 112 Ca 0.15 -0.48 -0.08 0.00 -0.27 0.00 0.00 62.75 62.07 3dht n ILE 112 Cb 0.46 -0.12 0.06 0.00 -1.74 0.00 0.00 39.64 38.30 3dht n ILE 112 CO 0.00 0.00 0.00 0.58 -1.76 0.00 0.00 176.55 175.37 3dht h VAL 113 N 0.00 1.26 -0.47 7.28 2.07 -1.19 0.21 116.25 125.41 3dht h VAL 113 Ca 0.00 -1.24 0.03 0.00 0.82 0.00 0.00 66.70 66.32 3dht h VAL 113 Cb 0.96 1.00 -0.04 0.00 -1.52 0.00 0.00 31.29 31.69 3dht h VAL 113 CO 0.00 0.43 0.25 -0.07 0.02 0.00 0.00 177.57 178.20 3dht h LEU 114 N 0.83 0.38 -0.19 2.57 3.38 -1.38 0.45 115.31 121.35 3dht h LEU 114 Ca 0.13 0.02 -0.04 0.00 0.09 0.00 0.00 57.88 58.08 3dht h LEU 114 Cb 0.65 -0.06 -0.01 0.00 0.09 0.00 0.00 40.66 41.33 3dht h LEU 114 CO 0.04 0.27 -0.03 1.23 0.09 0.00 0.00 178.44 180.05 3dht h GLY 115 N 0.50 0.38 0.58 0.83 0.00 -1.44 0.86 103.07 104.77 3dht h GLY 115 Ca 0.20 -0.30 0.08 0.00 0.00 0.00 0.00 47.33 47.31 3dht h GLY 115 CO -0.12 0.27 0.40 0.84 0.00 0.00 0.00 176.54 177.93 3dht h HIS 116 N 0.08 0.72 -0.01 5.60 -0.00 -0.43 -2.52 115.15 118.59 3dht h HIS 116 Ca 0.05 0.03 -0.00 0.00 -0.00 0.00 0.00 60.37 60.44 3dht h HIS 116 Cb 0.45 -0.22 0.00 0.00 -0.00 0.00 0.00 27.41 27.64 3dht h HIS 116 CO 0.04 0.31 -0.01 0.45 -0.00 0.00 0.00 177.93 178.73 3dht h HIS 117 N 0.70 0.02 -0.00 5.26 -0.00 0.06 -3.36 115.15 117.83 3dht h HIS 117 Ca 0.34 -0.01 0.00 0.00 -0.00 0.00 0.00 60.37 60.70 3dht h HIS 117 Cb 0.28 -0.00 0.00 0.00 -0.00 0.00 0.00 27.41 27.69 3dht h HIS 117 CO -0.08 0.58 -0.31 1.28 -0.00 0.00 0.00 177.93 179.40 3dht n LEU 118 N -4.80 0.76 0.00 2.43 4.77 0.28 -5.03 117.00 115.40 3dht n LEU 118 Ca -0.09 -0.12 0.00 0.00 -0.03 0.00 0.00 56.01 55.77 3dht n LEU 118 Cb 0.29 -0.18 0.00 0.00 -2.33 0.00 0.00 43.42 41.20 3dht n LEU 118 CO 0.34 0.15 0.00 0.61 -1.33 0.00 0.00 177.39 177.16 3dht n GLY 119 N 1.39 1.73 0.52 -0.72 0.00 -0.95 -2.96 105.19 104.20 3dht n GLY 119 Ca 0.10 -0.53 0.01 0.00 0.00 0.00 0.00 46.02 45.60 3dht n GLY 119 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 3dht n LYS 120 N 12.94 1.37 0.02 1.61 5.02 -1.26 -2.94 118.16 134.92 3dht n LYS 120 Ca 0.00 -0.33 0.11 0.00 -2.02 0.00 0.00 58.31 56.06 3dht n LYS 120 Cb 0.00 -1.45 -0.06 0.00 -0.02 0.00 0.00 35.03 33.51 3dht n LYS 120 CO 0.00 0.00 0.00 0.39 -0.52 0.00 0.00 177.40 177.27 3dht n GLU 121 N -0.02 0.34 -1.68 1.97 1.02 -1.16 -4.55 120.64 116.57 3dht n GLU 121 Ca 0.03 -0.05 -0.41 0.00 -0.02 0.00 0.00 57.16 56.71 3dht n GLU 121 Cb 0.28 -1.57 -0.01 0.00 -0.02 0.00 0.00 31.44 30.13 3dht n GLU 121 CO 0.00 0.00 0.00 0.34 1.18 0.00 0.00 177.13 178.65 3dht n PHE 122 N -1.98 3.17 -1.92 -0.32 7.35 -1.15 -4.86 117.46 117.75 3dht n PHE 122 Ca 0.01 -2.99 -0.34 0.00 -0.76 0.00 0.00 57.45 53.37 3dht n PHE 122 Cb 0.45 -2.47 0.03 0.00 0.35 0.00 0.00 39.48 37.84 3dht n PHE 122 CO 0.00 0.00 0.00 0.95 -0.76 0.00 0.00 176.76 176.95 3dht s THR 123 N 2.57 3.19 0.45 -2.13 -4.23 -1.26 -4.70 115.64 109.52 3dht s THR 123 Ca 0.53 0.62 0.31 0.00 -1.18 0.00 0.00 61.69 61.96 3dht s THR 123 Cb 0.15 -3.16 0.50 0.00 1.34 0.00 0.00 72.50 71.33 3dht s THR 123 CO -0.07 -0.28 1.63 -0.65 -0.54 0.00 0.00 174.62 174.70 3dht h PRO 124 N 0.43 0.09 -0.02 3.99 0.11 -1.98 0.28 132.00 134.90 3dht h PRO 124 Ca -0.48 -0.01 -0.00 0.00 0.11 0.00 0.00 66.00 65.62 3dht h PRO 124 Cb 1.25 -0.02 -0.00 0.00 0.11 0.00 0.00 31.00 32.34 3dht h PRO 124 CO 0.55 0.06 0.01 0.00 -0.21 0.00 0.00 178.00 178.40 3dht h ALA 126 N 0.85 -0.40 -0.69 0.00 0.00 -0.83 -2.84 119.26 115.34 3dht h ALA 126 Ca 0.01 -0.06 0.15 0.00 0.00 0.00 0.00 54.91 55.00 3dht h ALA 126 Cb 0.16 0.28 -0.13 0.00 0.00 0.00 0.00 17.79 18.10 3dht h ALA 126 CO -0.00 -0.75 -0.09 0.37 0.00 0.00 0.00 179.25 178.78 3dht h GLN 127 N -0.43 0.05 -0.33 0.00 4.15 -1.24 -2.22 115.11 115.09 3dht h GLN 127 Ca -0.00 -0.00 0.00 0.00 0.77 0.00 0.00 58.65 59.42 3dht h GLN 127 Cb 0.40 -0.01 -0.02 0.00 0.21 0.00 0.00 27.48 28.06 3dht h GLN 127 CO -0.04 0.03 0.21 0.00 -1.93 0.00 0.00 178.83 177.09 3dht h ALA 128 N 1.67 0.41 -0.87 3.38 0.00 -1.22 0.50 119.26 123.13 3dht h ALA 128 Ca 0.35 -0.04 0.14 0.00 0.00 0.00 0.00 54.91 55.37 3dht h ALA 128 Cb 0.57 -0.13 -0.09 0.00 0.00 0.00 0.00 17.79 18.14 3dht h ALA 128 CO -0.66 -0.10 0.47 0.00 0.00 0.00 0.00 179.25 178.96 3dht h ALA 129 N 1.10 1.32 -0.03 0.00 0.00 -1.25 -1.75 119.26 118.65 3dht h ALA 129 Ca 0.12 0.08 -0.18 0.00 0.00 0.00 0.00 54.91 54.93 3dht h ALA 129 Cb -0.02 -0.05 -0.01 0.00 0.00 0.00 0.00 17.79 17.71 3dht h ALA 129 CO -0.02 -0.05 -0.76 0.74 0.00 0.00 0.00 179.25 179.16 3dht h PHE 130 N 0.68 0.34 0.52 0.00 -1.00 -0.67 -3.10 116.94 113.70 3dht h PHE 130 Ca 0.47 -0.16 -0.01 0.00 2.81 0.00 0.00 57.97 61.08 3dht h PHE 130 Cb 0.64 -0.05 -0.02 0.00 3.61 0.00 0.00 35.95 40.13 3dht h PHE 130 CO -0.07 0.91 -0.46 1.96 -1.61 0.00 0.00 178.31 179.03 3dht h GLN 131 N 0.16 -0.94 -0.93 1.51 1.08 0.77 -0.28 115.11 116.48 3dht h GLN 131 Ca -0.03 0.06 0.17 0.00 -1.45 0.00 0.00 58.65 57.40 3dht h GLN 131 Cb 1.34 0.21 -0.08 0.00 -0.05 0.00 0.00 27.48 28.90 3dht h GLN 131 CO 0.12 -0.63 0.59 0.87 -0.95 0.00 0.00 178.83 178.83 3dht h LYS 132 N -0.98 0.64 0.20 1.46 1.57 -1.42 0.39 116.57 118.43 3dht h LYS 132 Ca -0.06 -0.04 -0.01 0.00 -1.87 0.00 0.00 60.65 58.67 3dht h LYS 132 Cb 0.84 -0.14 0.00 0.00 0.08 0.00 0.00 32.23 33.01 3dht h LYS 132 CO -0.03 0.42 -0.10 0.28 -0.57 0.00 0.00 179.45 179.46 3dht h VAL 133 N 0.66 0.85 -0.24 0.50 2.07 -1.44 0.11 116.25 118.77 3dht h VAL 133 Ca 0.49 -0.91 -0.02 0.00 0.82 0.00 0.00 66.70 67.07 3dht h VAL 133 Cb 0.85 1.34 -0.01 0.00 -1.52 0.00 0.00 31.29 31.95 3dht h VAL 133 CO -0.24 0.19 0.05 -0.37 0.02 0.00 0.00 177.57 177.21 3dht h VAL 134 N -0.77 1.12 0.14 2.57 -1.51 -0.52 0.56 116.25 117.84 3dht h VAL 134 Ca -0.03 -0.45 -0.01 0.00 -1.23 0.00 0.00 66.70 64.99 3dht h VAL 134 Cb 0.51 0.90 0.00 0.00 -2.13 0.00 0.00 31.29 30.57 3dht h VAL 134 CO 0.04 0.16 -0.07 0.00 -1.23 0.00 0.00 177.57 176.47 3dht h ALA 135 N 1.72 -0.19 -0.56 5.19 0.00 -0.27 -1.84 119.26 123.31 3dht h ALA 135 Ca 0.08 -0.15 0.09 0.00 0.00 0.00 0.00 54.91 54.93 3dht h ALA 135 Cb 0.15 0.07 -0.07 0.00 0.00 0.00 0.00 17.79 17.95 3dht h ALA 135 CO -0.00 -0.47 0.17 0.78 0.00 0.00 0.00 179.25 179.73 3dht h GLY 136 N -0.47 0.74 2.00 0.00 0.00 0.06 -1.27 103.07 104.13 3dht h GLY 136 Ca -0.02 -0.08 -0.02 0.00 0.00 0.00 0.00 47.33 47.21 3dht h GLY 136 CO 0.03 -0.04 -0.10 -2.08 0.00 0.00 0.00 176.54 174.36 3dht h VAL 137 N 0.33 0.84 -0.01 4.60 2.07 0.10 -2.08 116.25 122.10 3dht h VAL 137 Ca 0.28 -0.36 -0.06 0.00 0.82 0.00 0.00 66.70 67.37 3dht h VAL 137 Cb 0.35 1.21 0.00 0.00 -1.52 0.00 0.00 31.29 31.34 3dht h VAL 137 CO -0.31 0.10 -0.24 0.00 0.02 0.00 0.00 177.57 177.14 3dht h ALA 138 N 1.90 0.05 0.00 1.67 0.00 -0.36 -3.11 119.26 119.42 3dht h ALA 138 Ca -0.00 -0.45 0.00 0.00 0.00 0.00 0.00 54.91 54.46 3dht h ALA 138 Cb 0.20 0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.00 3dht h ALA 138 CO 0.01 0.08 0.00 0.66 0.00 0.00 0.00 179.25 180.00 3dht h SER 139 N -0.45 0.00 -0.07 0.00 4.64 -1.45 -2.62 113.55 113.60 3dht h SER 139 Ca -0.03 0.00 0.02 0.00 -0.47 0.00 0.00 61.79 61.32 3dht h SER 139 Cb 0.96 0.00 -0.02 0.00 -0.31 0.00 0.00 62.40 63.03 3dht h SER 139 CO 0.05 0.00 -0.06 0.00 -0.87 0.00 0.00 176.83 175.94 3dht h ALA 140 N 2.27 -0.01 0.00 5.18 0.00 -1.43 -2.79 119.26 122.49 3dht h ALA 140 Ca 0.00 0.03 0.00 0.00 0.00 0.00 0.00 54.91 54.94 3dht h ALA 140 Cb 0.80 0.14 0.00 0.00 0.00 0.00 0.00 17.79 18.73 3dht h ALA 140 CO 0.00 -0.53 0.00 1.28 0.00 0.00 0.00 179.25 180.00 3dht n LEU 141 N -5.19 0.00 -0.00 0.00 4.77 -0.99 -3.26 117.00 112.32 3dht n LEU 141 Ca -0.05 0.00 0.06 0.00 -0.03 0.00 0.00 56.01 55.99 3dht n LEU 141 Cb 0.12 0.00 -0.08 0.00 -2.33 0.00 0.00 43.42 41.13 3dht n LEU 141 CO 0.28 0.00 -0.43 0.00 -1.33 0.00 0.00 177.39 175.91 3dht n ALA 142 N -0.93 2.82 0.83 -1.18 0.00 -1.07 -4.61 120.51 116.37 3dht n ALA 142 Ca 0.16 -0.30 0.07 0.00 0.00 0.00 0.00 53.44 53.36 3dht n ALA 142 Cb 0.07 -0.42 0.40 0.00 0.00 0.00 0.00 19.45 19.51 3dht n ALA 142 CO 0.00 0.00 0.00 -2.39 0.00 0.00 0.00 177.50 175.11 3dht n HIS 143 N -1.69 0.00 -0.78 0.00 1.44 -1.12 -1.93 115.22 111.13 3dht n HIS 143 Ca -0.01 0.00 0.08 0.00 -2.01 0.00 0.00 57.72 55.78 3dht n HIS 143 Cb 0.27 -0.06 0.33 0.00 0.12 0.00 0.00 29.99 30.64 3dht n HIS 143 CO 0.00 0.00 0.00 1.63 -2.81 0.00 0.00 176.34 175.16 3dht n LYS 144 N -1.06 3.82 0.00 -1.40 4.01 -1.26 -5.12 118.16 117.15 3dht n LYS 144 Ca 0.10 -2.90 0.05 0.00 -0.51 0.00 0.00 58.31 55.05 3dht n LYS 144 Cb 0.06 -1.95 0.05 0.00 -0.51 0.00 0.00 35.03 32.68 3dht n LYS 144 CO 0.00 0.00 0.00 0.66 -1.11 0.00 0.00 177.40 176.95