#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3dnm s THR 14 N 0.00 2.93 0.15 2.12 -1.32 -1.26 -5.06 115.64 113.20 3dnm s THR 14 Ca 0.00 0.62 -0.02 0.00 -1.21 0.00 0.00 61.69 61.08 3dnm s THR 14 Cb 0.00 -3.28 -0.04 0.00 -1.51 0.00 0.00 72.50 67.68 3dnm s THR 14 CO 0.00 -0.09 0.10 -0.54 -2.21 0.00 0.00 174.62 171.88 3dnm s LYS 15 N -3.10 1.00 0.20 7.08 -0.14 -1.26 -4.91 119.74 118.61 3dnm s LYS 15 Ca 0.71 -1.44 -0.12 0.00 -1.36 0.00 0.00 55.97 53.76 3dnm s LYS 15 Cb -0.28 0.26 -0.07 0.00 -1.68 0.00 0.00 37.83 36.06 3dnm s LYS 15 CO 0.32 -0.30 0.57 -1.64 -0.76 0.00 0.00 175.35 173.54 3dnm s MET 16 N -4.06 3.91 -0.06 1.68 -1.94 0.16 -5.03 119.30 113.97 3dnm s MET 16 Ca 0.26 0.43 -0.30 0.00 -1.71 0.00 0.00 55.69 54.37 3dnm s MET 16 Cb 0.07 -2.75 -0.04 0.00 2.01 0.00 0.00 34.83 34.12 3dnm s MET 16 CO 0.03 0.37 1.34 -0.51 -0.01 0.00 0.00 175.02 176.25 3dnm s ASP 17 N -2.05 6.91 0.08 3.03 1.01 -1.26 -4.67 116.67 119.71 3dnm s ASP 17 Ca 0.44 1.95 -0.15 0.00 0.71 0.00 0.00 52.55 55.50 3dnm s ASP 17 Cb -0.13 -2.55 -0.03 0.00 1.01 0.00 0.00 42.92 41.22 3dnm s ASP 17 CO 0.20 -0.71 0.74 -2.65 0.21 0.00 0.00 175.17 172.95 3dnm n PRO 18 N 5.79 -0.21 0.03 8.23 -0.02 -1.26 -0.85 135.00 146.72 3dnm n PRO 18 Ca 0.13 0.73 -0.12 0.00 -2.02 0.00 0.00 63.50 62.22 3dnm n PRO 18 Cb 0.44 -1.07 -0.05 0.00 -0.02 0.00 0.00 33.50 32.80 3dnm n PRO 18 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 3dnm h ARG 19 N 0.00 -0.47 -0.77 -0.52 3.08 -1.90 -1.18 114.38 112.61 3dnm h ARG 19 Ca 0.08 0.03 0.18 0.00 0.07 0.00 0.00 59.98 60.34 3dnm h ARG 19 Cb 0.20 0.11 -0.13 0.00 0.08 0.00 0.00 29.97 30.23 3dnm h ARG 19 CO -0.45 -0.31 0.05 -0.44 -1.07 0.00 0.00 179.97 177.75 3dnm h ASP 20 N -0.49 -0.26 -0.64 7.04 3.45 -1.38 0.54 116.42 124.67 3dnm h ASP 20 Ca 0.07 0.19 0.04 0.00 0.43 0.00 0.00 57.03 57.76 3dnm h ASP 20 Cb 0.60 0.32 -0.04 0.00 -0.56 0.00 0.00 39.33 39.65 3dnm h ASP 20 CO -0.33 -0.16 0.43 0.15 -1.57 0.00 0.00 179.24 177.75 3dnm h PHE 21 N 0.13 0.71 -0.42 4.55 -0.00 -0.86 0.10 116.94 121.16 3dnm h PHE 21 Ca 0.43 0.02 -0.02 0.00 -0.00 0.00 0.00 57.97 58.40 3dnm h PHE 21 Cb 0.78 -0.24 -0.02 0.00 -0.00 0.00 0.00 35.95 36.48 3dnm h PHE 21 CO -0.39 0.41 0.18 -0.07 -0.00 0.00 0.00 178.31 178.44 3dnm h LEU 22 N 0.73 0.58 -1.93 0.59 3.38 0.94 0.21 115.31 119.80 3dnm h LEU 22 Ca 0.26 -0.16 0.08 0.00 0.09 0.00 0.00 57.88 58.16 3dnm h LEU 22 Cb 0.13 -0.15 -0.02 0.00 0.09 0.00 0.00 40.66 40.71 3dnm h LEU 22 CO -0.08 0.57 0.23 -0.61 0.09 0.00 0.00 178.44 178.65 3dnm h GLN 23 N 0.54 0.09 0.03 1.13 5.75 0.82 0.39 115.11 123.85 3dnm h GLN 23 Ca 0.14 -0.01 -0.00 0.00 -0.15 0.00 0.00 58.65 58.64 3dnm h GLN 23 Cb 0.17 -0.02 0.00 0.00 1.07 0.00 0.00 27.48 28.70 3dnm h GLN 23 CO -0.01 0.06 -0.02 1.25 -2.65 0.00 0.00 178.83 177.46 3dnm h LEU 24 N 0.09 -0.04 -2.32 -2.39 5.85 0.84 -2.03 115.31 115.30 3dnm h LEU 24 Ca 0.15 -0.63 0.01 0.00 0.84 0.00 0.00 57.88 58.25 3dnm h LEU 24 Cb 0.50 0.01 -0.00 0.00 0.37 0.00 0.00 40.66 41.54 3dnm h LEU 24 CO -0.01 0.65 0.02 -0.07 -0.34 0.00 0.00 178.44 178.68 3dnm h LEU 25 N -0.76 0.00 -0.05 2.25 3.38 0.50 -0.87 115.31 119.77 3dnm h LEU 25 Ca -0.00 0.00 -0.05 0.00 0.09 0.00 0.00 57.88 57.92 3dnm h LEU 25 Cb 0.67 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.42 3dnm h LEU 25 CO 0.01 0.00 -0.15 0.50 0.09 0.00 0.00 178.44 178.89 3dnm h LYS 26 N 0.00 0.18 -0.85 1.13 3.64 -0.21 -2.02 116.57 118.45 3dnm h LYS 26 Ca 0.01 -0.14 -0.01 0.00 -1.27 0.00 0.00 60.65 59.24 3dnm h LYS 26 Cb 0.05 0.02 -0.04 0.00 -0.41 0.00 0.00 32.23 31.85 3dnm h LYS 26 CO -0.00 0.76 0.49 0.82 -2.27 0.00 0.00 179.45 179.25 3dnm h ILE 27 N -0.36 1.24 -0.19 2.00 2.04 -0.72 -1.27 117.51 120.25 3dnm h ILE 27 Ca -0.01 -0.56 -0.06 0.00 1.00 0.00 0.00 64.86 65.24 3dnm h ILE 27 Cb 0.78 0.08 -0.01 0.00 -0.74 0.00 0.00 36.82 36.92 3dnm h ILE 27 CO 0.03 0.26 -0.14 0.78 0.00 0.00 0.00 178.15 179.08 3dnm h ASN 28 N 1.17 0.29 -0.15 1.72 -0.26 -1.20 -2.73 115.58 114.43 3dnm h ASN 28 Ca 0.30 -0.07 -0.03 0.00 -0.56 0.00 0.00 56.30 55.94 3dnm h ASN 28 Cb -0.01 -0.08 -0.00 0.00 -1.06 0.00 0.00 38.32 37.16 3dnm h ASN 28 CO -0.05 0.47 -0.02 0.00 -1.06 0.00 0.00 177.43 176.76 3dnm h ALA 29 N 1.57 0.21 0.14 -0.83 0.00 -0.56 -2.20 119.26 117.57 3dnm h ALA 29 Ca 0.06 -0.22 0.01 0.00 0.00 0.00 0.00 54.91 54.76 3dnm h ALA 29 Cb 0.43 -0.05 -0.02 0.00 0.00 0.00 0.00 17.79 18.15 3dnm h ALA 29 CO 0.03 -0.06 -0.21 0.93 0.00 0.00 0.00 179.25 179.94 3dnm h GLU 30 N -0.01 -0.40 0.00 0.00 5.08 -1.02 -1.40 114.58 116.83 3dnm h GLU 30 Ca 0.04 0.03 0.00 0.00 -1.00 0.00 0.00 59.36 58.43 3dnm h GLU 30 Cb 0.43 0.09 0.00 0.00 0.50 0.00 0.00 28.75 29.77 3dnm h GLU 30 CO 0.01 -0.26 0.00 1.63 -1.00 0.00 0.00 179.01 179.39 3dnm n LYS 31 N -5.33 0.23 -1.34 2.33 4.76 -1.05 -4.82 118.16 112.94 3dnm n LYS 31 Ca -0.07 0.13 -0.37 0.00 -2.87 0.00 0.00 58.31 55.13 3dnm n LYS 31 Cb 0.25 -1.50 0.05 0.00 -1.84 0.00 0.00 35.03 31.99 3dnm n LYS 31 CO 0.00 0.00 0.00 0.00 -1.37 0.00 0.00 177.40 176.03 3dnm n ALA 32 N -1.30 -1.48 -1.77 7.82 0.00 -0.53 -4.88 120.51 118.38 3dnm n ALA 32 Ca 0.08 -0.16 -0.39 0.00 0.00 0.00 0.00 53.44 52.97 3dnm n ALA 32 Cb 0.14 -1.82 -0.01 0.00 0.00 0.00 0.00 19.45 17.76 3dnm n ALA 32 CO 0.00 0.00 0.00 -1.83 0.00 0.00 0.00 177.50 175.67 3dnm s GLU 33 N -2.44 3.97 0.00 0.00 1.03 -1.26 -5.01 118.70 114.98 3dnm s GLU 33 Ca 0.66 1.99 0.00 0.00 0.03 0.00 0.00 54.97 57.65 3dnm s GLU 33 Cb -0.39 -2.68 0.00 0.00 -0.80 0.00 0.00 34.13 30.26 3dnm s GLU 33 CO 0.57 -0.44 0.74 0.36 -1.33 0.00 0.00 175.26 175.16 3dnm n LYS 34 N 0.03 0.00 -3.85 -4.83 2.85 -1.26 -4.57 118.16 106.53 3dnm n LYS 34 Ca 0.04 0.35 -0.30 0.00 -1.05 0.00 0.00 58.31 57.35 3dnm n LYS 34 Cb 0.45 -1.28 -0.14 0.00 -0.65 0.00 0.00 35.03 33.41 3dnm n LYS 34 CO 0.00 0.00 0.00 -0.80 -0.05 0.00 0.00 177.40 176.55 3dnm s ASN 35 N -2.05 4.04 -0.11 -5.58 0.01 -1.26 -5.10 114.94 104.89 3dnm s ASN 35 Ca 0.00 -2.83 -0.22 0.00 -0.71 0.00 0.00 52.86 49.11 3dnm s ASN 35 Cb 0.00 -1.38 -0.03 0.00 0.41 0.00 0.00 41.25 40.25 3dnm s ASN 35 CO 0.00 -0.25 0.63 -0.22 -1.51 0.00 0.00 177.10 175.75 3dnm s LEU 36 N 0.01 4.26 0.16 0.60 1.98 -1.26 -5.00 118.68 119.43 3dnm s LEU 36 Ca 0.17 1.01 -0.34 0.00 -2.89 0.00 0.00 54.13 52.08 3dnm s LEU 36 Cb -0.25 -2.95 -0.15 0.00 0.66 0.00 0.00 46.19 43.50 3dnm s LEU 36 CO -0.00 -0.13 1.39 -2.65 -1.89 0.00 0.00 176.35 173.06 3dnm n PRO 37 N 4.10 1.63 -0.27 0.98 -0.02 -1.26 -4.68 135.00 135.48 3dnm n PRO 37 Ca -0.03 0.58 0.19 0.00 -2.02 0.00 0.00 63.50 62.23 3dnm n PRO 37 Cb 0.51 -2.24 0.50 0.00 -0.02 0.00 0.00 33.50 32.25 3dnm n PRO 37 CO 0.00 0.00 0.00 1.25 1.98 0.00 0.00 175.50 178.73 3dnm h LEU 38 N 4.64 0.44 -1.29 2.45 5.85 -1.99 0.93 115.31 126.35 3dnm h LEU 38 Ca -0.45 0.05 -0.04 0.00 0.84 0.00 0.00 57.88 58.27 3dnm h LEU 38 Cb 1.30 -0.03 -0.01 0.00 0.37 0.00 0.00 40.66 42.30 3dnm h LEU 38 CO 0.79 0.16 -0.21 -2.24 -0.34 0.00 0.00 178.44 176.61 3dnm h ASP 39 N 0.43 0.00 0.09 1.25 -0.00 -1.98 -2.49 116.42 113.72 3dnm h ASP 39 Ca 0.50 0.00 -0.31 0.00 -0.00 0.00 0.00 57.03 57.22 3dnm h ASP 39 Cb 1.21 0.00 -0.02 0.00 -0.00 0.00 0.00 39.33 40.52 3dnm h ASP 39 CO -0.21 0.21 -1.66 1.56 -0.00 0.00 0.00 179.24 179.14 3dnm h GLN 40 N 0.00 0.19 -0.95 4.15 4.20 -1.24 -2.86 115.11 118.60 3dnm h GLN 40 Ca -0.00 -0.33 0.22 0.00 0.06 0.00 0.00 58.65 58.60 3dnm h GLN 40 Cb 0.66 0.12 -0.07 0.00 0.30 0.00 0.00 27.48 28.49 3dnm h GLN 40 CO 0.03 1.16 0.62 -0.22 -0.67 0.00 0.00 178.83 179.75 3dnm h LYS 41 N -0.31 0.41 0.40 1.46 3.64 -1.03 0.22 116.57 121.36 3dnm h LYS 41 Ca -0.38 -0.02 -0.02 0.00 -1.27 0.00 0.00 60.65 58.96 3dnm h LYS 41 Cb 1.78 -0.09 0.00 0.00 -0.41 0.00 0.00 32.23 33.51 3dnm h LYS 41 CO 0.00 0.27 -0.19 0.00 -2.27 0.00 0.00 179.45 177.26 3dnm h ARG 42 N 0.43 -0.52 -0.94 1.90 3.08 -1.52 -2.44 114.38 114.37 3dnm h ARG 42 Ca 0.51 0.04 0.16 0.00 0.07 0.00 0.00 59.98 60.75 3dnm h ARG 42 Cb 1.24 0.12 -0.08 0.00 0.08 0.00 0.00 29.97 31.33 3dnm h ARG 42 CO -0.21 -0.21 0.60 0.00 -1.07 0.00 0.00 179.97 179.07 3dnm h ALA 43 N -0.67 1.81 0.00 0.04 0.00 -0.90 0.18 119.26 119.72 3dnm h ALA 43 Ca -0.05 0.03 0.00 0.00 0.00 0.00 0.00 54.91 54.89 3dnm h ALA 43 Cb 0.54 -0.11 0.00 0.00 0.00 0.00 0.00 17.79 18.22 3dnm h ALA 43 CO 0.09 -0.09 0.00 0.78 0.00 0.00 0.00 179.25 180.04 3dnm h GLY 44 N 0.71 0.00 1.54 0.00 0.00 -0.67 -1.34 103.07 103.32 3dnm h GLY 44 Ca 0.49 0.00 -0.23 0.00 0.00 0.00 0.00 47.33 47.58 3dnm h GLY 44 CO -0.25 0.00 -0.99 1.98 0.00 0.00 0.00 176.54 177.28 3dnm h MET 45 N 0.00 0.40 0.01 4.80 -1.53 -0.17 -0.49 114.93 117.95 3dnm h MET 45 Ca 0.00 -0.46 -0.00 0.00 -3.44 0.00 0.00 59.70 55.80 3dnm h MET 45 Cb 0.78 0.14 0.00 0.00 -0.55 0.00 0.00 31.60 31.96 3dnm h MET 45 CO 0.00 1.13 -0.00 0.93 0.14 0.00 0.00 176.91 179.11 3dnm h GLU 46 N 0.21 -0.01 -0.09 0.39 4.39 -1.12 0.12 114.58 118.48 3dnm h GLU 46 Ca -0.09 0.00 0.03 0.00 0.34 0.00 0.00 59.36 59.64 3dnm h GLU 46 Cb 1.64 0.00 -0.03 0.00 -0.10 0.00 0.00 28.75 30.27 3dnm h GLU 46 CO 0.17 0.51 -0.07 0.00 -1.16 0.00 0.00 179.01 178.46 3dnm h ALA 47 N 0.44 0.00 0.69 3.43 0.00 -1.29 -2.66 119.26 119.87 3dnm h ALA 47 Ca -0.00 0.04 -0.03 0.00 0.00 0.00 0.00 54.91 54.91 3dnm h ALA 47 Cb 0.53 0.15 0.01 0.00 0.00 0.00 0.00 17.79 18.48 3dnm h ALA 47 CO 0.00 -0.54 -0.33 1.25 0.00 0.00 0.00 179.25 179.64 3dnm h LEU 48 N -0.08 -0.78 -0.23 0.00 5.85 -1.11 -2.90 115.31 116.06 3dnm h LEU 48 Ca 0.06 0.03 0.00 0.00 0.84 0.00 0.00 57.88 58.81 3dnm h LEU 48 Cb 0.17 0.20 0.00 0.00 0.37 0.00 0.00 40.66 41.40 3dnm h LEU 48 CO -0.14 -0.53 0.00 0.00 -0.34 0.00 0.00 178.44 177.43 3dnm n GLU 50 N -0.28 0.79 0.05 0.00 2.13 -1.01 -3.99 120.64 118.33 3dnm n GLU 50 Ca 0.00 -0.11 0.13 0.00 0.66 0.00 0.00 57.16 57.84 3dnm n GLU 50 Cb 0.00 -1.38 0.52 0.00 0.27 0.00 0.00 31.44 30.85 3dnm n GLU 50 CO 0.00 0.00 0.00 -2.13 -0.41 0.00 0.00 177.13 174.59 3dnm n ARG 51 N -1.89 0.12 -2.85 5.31 3.00 -0.50 -4.82 116.66 115.03 3dnm n ARG 51 Ca -0.01 0.11 -0.33 0.00 -0.00 0.00 0.00 57.85 57.62 3dnm n ARG 51 Cb 0.40 -1.64 -0.07 0.00 0.00 0.00 0.00 32.46 31.15 3dnm n ARG 51 CO 0.00 0.00 0.00 -0.06 0.00 0.00 0.00 177.63 177.57 3dnm s PHE 52 N -3.05 3.33 0.13 -0.14 2.99 -1.26 -5.03 117.98 114.95 3dnm s PHE 52 Ca 0.12 1.58 -0.30 0.00 0.00 0.00 0.00 56.93 58.33 3dnm s PHE 52 Cb 0.16 -2.82 -0.07 0.00 0.00 0.00 0.00 43.02 40.28 3dnm s PHE 52 CO 0.55 -0.08 1.17 -1.25 -0.00 0.00 0.00 175.22 175.61 3dnm s PRO 53 N -3.13 4.50 -0.15 0.24 0.04 -1.26 -4.90 135.00 130.34 3dnm s PRO 53 Ca 0.61 1.79 -0.07 0.00 0.04 0.00 0.00 61.00 63.37 3dnm s PRO 53 Cb -0.09 -3.29 -0.04 0.00 0.04 0.00 0.00 34.50 31.11 3dnm s PRO 53 CO 0.14 -0.11 0.08 1.03 0.04 0.00 0.00 177.00 178.18 3dnm s ARG 54 N 0.23 3.69 0.40 4.56 0.52 -1.26 -4.46 118.95 122.63 3dnm s ARG 54 Ca 0.54 -0.28 -0.23 0.00 -0.52 0.00 0.00 55.73 55.24 3dnm s ARG 54 Cb -0.30 -3.16 -0.13 0.00 0.52 0.00 0.00 34.95 31.88 3dnm s ARG 54 CO 0.33 0.49 0.63 0.00 0.02 0.00 0.00 175.30 176.78 3dnm n ALA 55 N 2.87 -1.30 -1.86 2.13 0.00 -1.26 -4.89 120.51 116.19 3dnm n ALA 55 Ca -0.18 0.21 -0.40 0.00 0.00 0.00 0.00 53.44 53.07 3dnm n ALA 55 Cb 0.53 -1.82 -0.06 0.00 0.00 0.00 0.00 19.45 18.10 3dnm n ALA 55 CO 0.00 0.00 0.00 -2.00 0.00 0.00 0.00 177.50 175.50 3dnm s GLU 56 N -1.59 4.71 0.00 0.00 2.12 -1.26 -3.80 118.70 118.88 3dnm s GLU 56 Ca 0.63 1.32 0.00 0.00 0.36 0.00 0.00 54.97 57.28 3dnm s GLU 56 Cb -0.63 -3.25 0.00 0.00 0.26 0.00 0.00 34.13 30.51 3dnm s GLU 56 CO 0.58 0.54 0.00 0.41 -0.54 0.00 0.00 175.26 176.25 3dnm n GLY 57 N 1.50 0.54 3.21 -1.50 0.00 -1.26 -5.01 105.19 102.67 3dnm n GLY 57 Ca -0.04 -0.44 -0.41 0.00 0.00 0.00 0.00 46.02 45.13 3dnm n GLY 57 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 3dnm s VAL 58 N -2.00 4.38 0.22 1.61 1.01 -1.25 -4.15 120.40 120.22 3dnm s VAL 58 Ca 0.00 -2.11 -0.30 0.00 0.00 0.00 0.00 61.98 59.57 3dnm s VAL 58 Cb 0.00 -3.84 -0.10 0.00 0.00 0.00 0.00 36.38 32.44 3dnm s VAL 58 CO 0.00 -0.84 1.45 -1.61 0.00 0.00 0.00 175.10 174.10 3dnm s GLU 59 N 0.91 4.27 -0.72 2.72 2.02 -0.91 -4.80 118.70 122.19 3dnm s GLU 59 Ca 0.10 2.28 -0.12 0.00 0.02 0.00 0.00 54.97 57.24 3dnm s GLU 59 Cb -0.23 -3.13 0.19 0.00 0.10 0.00 0.00 34.13 31.06 3dnm s GLU 59 CO -0.02 -0.45 0.64 -0.51 0.02 0.00 0.00 175.26 174.94 3dnm s LEU 60 N 0.06 6.33 -0.16 1.80 1.43 -1.26 -3.26 118.68 123.62 3dnm s LEU 60 Ca 0.62 -2.51 -0.24 0.00 -1.03 0.00 0.00 54.13 50.96 3dnm s LEU 60 Cb -0.41 -2.13 -0.02 0.00 0.03 0.00 0.00 46.19 43.65 3dnm s LEU 60 CO 0.39 -0.59 0.78 -0.89 0.23 0.00 0.00 176.35 176.27 3dnm s THR 61 N 0.45 4.93 -0.94 5.49 2.01 -1.00 -4.94 115.64 121.63 3dnm s THR 61 Ca 0.14 1.53 -0.20 0.00 0.31 0.00 0.00 61.69 63.48 3dnm s THR 61 Cb -0.16 -4.09 0.11 0.00 0.01 0.00 0.00 72.50 68.36 3dnm s THR 61 CO -0.05 0.07 1.21 -0.76 -0.69 0.00 0.00 174.62 174.39 3dnm s LEU 62 N 1.91 4.60 0.00 4.42 1.43 -1.26 -0.78 118.68 129.00 3dnm s LEU 62 Ca 0.37 -1.83 0.00 0.00 -1.03 0.00 0.00 54.13 51.64 3dnm s LEU 62 Cb -0.17 -2.45 0.00 0.00 0.03 0.00 0.00 46.19 43.61 3dnm s LEU 62 CO 0.13 -1.20 0.00 1.07 0.23 0.00 0.00 176.35 176.58 3dnm n THR 63 N 5.89 0.00 -3.98 5.49 5.66 -0.37 -4.99 114.28 121.98 3dnm n THR 63 Ca 0.25 0.00 -0.09 0.00 -3.05 0.00 0.00 64.05 61.16 3dnm n THR 63 Cb 0.49 -0.03 -0.06 0.00 -1.55 0.00 0.00 70.33 69.19 3dnm n THR 63 CO 0.00 0.00 0.00 1.51 -3.05 0.00 0.00 175.07 173.53 3dnm s ASP 64 N 0.90 -0.08 -0.10 1.09 -4.77 -1.26 -1.34 116.67 111.12 3dnm s ASP 64 Ca 0.00 -0.90 -0.04 0.00 -3.30 0.00 0.00 52.55 48.31 3dnm s ASP 64 Cb 0.00 0.55 0.05 0.00 -1.09 0.00 0.00 42.92 42.44 3dnm s ASP 64 CO 0.00 -1.08 0.19 -0.76 0.70 0.00 0.00 175.17 174.22 3dnm s LEU 65 N -3.00 -0.07 -1.75 2.11 1.43 0.38 -4.85 118.68 112.93 3dnm s LEU 65 Ca 0.21 0.41 0.00 0.00 -1.03 0.00 0.00 54.13 53.73 3dnm s LEU 65 Cb 0.00 0.42 0.00 0.00 0.03 0.00 0.00 46.19 46.64 3dnm s LEU 65 CO 0.07 -0.23 0.00 0.61 0.23 0.00 0.00 176.35 177.02 3dnm n GLY 66 N 5.21 0.04 2.45 -3.19 0.00 -1.26 -0.33 105.19 108.11 3dnm n GLY 66 Ca -0.07 0.00 0.00 0.00 0.00 0.00 0.00 46.02 45.95 3dnm n GLY 66 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3dnm n GLY 67 N -0.84 0.80 3.60 -0.02 0.00 -1.26 -4.84 105.19 102.63 3dnm n GLY 67 Ca -0.22 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.45 3dnm n GLY 67 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 3dnm s VAL 68 N -3.14 4.75 0.49 1.61 1.01 0.56 -5.07 120.40 120.61 3dnm s VAL 68 Ca 0.00 -0.04 -0.22 0.00 0.00 0.00 0.00 61.98 61.72 3dnm s VAL 68 Cb 0.00 -3.17 -0.08 0.00 0.00 0.00 0.00 36.38 33.13 3dnm s VAL 68 CO 0.00 0.42 1.02 -2.65 0.00 0.00 0.00 175.10 173.89 3dnm n PRO 69 N 3.93 1.26 -3.58 2.72 -0.02 -1.26 -0.47 135.00 137.58 3dnm n PRO 69 Ca -0.16 0.46 -0.14 0.00 -2.02 0.00 0.00 63.50 61.64 3dnm n PRO 69 Cb 0.52 -2.13 -0.06 0.00 -0.02 0.00 0.00 33.50 31.81 3dnm n PRO 69 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 3dnm s ILE 71 N -0.58 4.73 0.62 0.00 1.01 -0.51 -1.24 121.20 125.24 3dnm s ILE 71 Ca -0.04 -1.31 -0.16 0.00 0.00 0.00 0.00 60.65 59.15 3dnm s ILE 71 Cb -0.02 -3.90 -0.02 0.00 0.01 0.00 0.00 42.46 38.53 3dnm s ILE 71 CO 0.03 -0.60 1.08 -0.60 0.00 0.00 0.00 174.94 174.85 3dnm s ARG 72 N 1.52 3.12 -0.15 2.79 3.52 0.04 -2.32 118.95 127.48 3dnm s ARG 72 Ca 0.04 1.30 -0.12 0.00 -0.13 0.00 0.00 55.73 56.82 3dnm s ARG 72 Cb -0.24 -2.00 0.04 0.00 -1.56 0.00 0.00 34.95 31.19 3dnm s ARG 72 CO 0.04 -0.98 0.38 -0.65 -0.81 0.00 0.00 175.30 173.27 3dnm s GLN 73 N -4.04 0.41 -0.10 5.12 -0.21 0.11 -2.38 119.66 118.56 3dnm s GLN 73 Ca 0.65 0.60 -0.30 0.00 0.02 0.00 0.00 55.36 56.33 3dnm s GLN 73 Cb -0.18 0.13 0.12 0.00 1.00 0.00 0.00 33.01 34.07 3dnm s GLN 73 CO 0.38 -0.09 0.98 0.00 -2.12 0.00 0.00 175.29 174.44 3dnm s ALA 74 N 0.61 -1.91 0.61 6.09 0.00 -1.20 0.17 121.76 126.13 3dnm s ALA 74 Ca -0.03 1.35 -0.04 0.00 0.00 0.00 0.00 51.96 53.24 3dnm s ALA 74 Cb -0.05 -0.18 0.03 0.00 0.00 0.00 0.00 23.12 22.93 3dnm s ALA 74 CO -0.04 -0.50 0.90 0.95 0.00 0.00 0.00 175.76 177.07 3dnm s THR 75 N -2.11 3.01 0.15 0.00 -4.23 -1.26 -2.15 115.64 109.05 3dnm s THR 75 Ca 0.03 -0.26 -0.23 0.00 -1.18 0.00 0.00 61.69 60.04 3dnm s THR 75 Cb -0.01 -3.21 0.02 0.00 1.34 0.00 0.00 72.50 70.65 3dnm s THR 75 CO -0.04 -0.20 1.63 -0.78 -0.54 0.00 0.00 174.62 174.69 3dnm h ASP 76 N -0.23 -0.82 -1.75 3.99 -0.00 -2.00 -2.81 116.42 112.79 3dnm h ASP 76 Ca -0.44 0.14 -0.71 0.00 -0.00 0.00 0.00 57.03 56.01 3dnm h ASP 76 Cb 1.29 0.38 -0.25 0.00 -0.00 0.00 0.00 39.33 40.74 3dnm h ASP 76 CO 0.59 -0.29 0.94 0.61 -0.00 0.00 0.00 179.24 181.08 3dnm n GLY 77 N -1.38 5.34 3.78 -0.78 0.00 -1.26 -5.01 105.19 105.87 3dnm n GLY 77 Ca -0.01 -2.35 -0.37 0.00 0.00 0.00 0.00 46.02 43.28 3dnm n GLY 77 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3dnm s ALA 78 N -3.65 3.17 1.00 4.61 0.00 -1.06 -4.98 121.76 120.85 3dnm s ALA 78 Ca 0.54 0.74 0.00 0.00 0.00 0.00 0.00 51.96 53.24 3dnm s ALA 78 Cb 0.43 -3.28 0.00 0.00 0.00 0.00 0.00 23.12 20.27 3dnm s ALA 78 CO -0.35 -0.17 0.00 0.41 0.00 0.00 0.00 175.76 175.64 3dnm n GLY 79 N 0.58 -1.73 0.00 0.00 0.00 -0.41 -4.93 105.19 98.70 3dnm n GLY 79 Ca 0.03 -1.32 0.10 0.00 0.00 0.00 0.00 46.02 44.83 3dnm n GLY 79 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3dnm n ALA 80 N -3.00 4.23 -0.68 4.61 0.00 -1.26 -4.68 120.51 119.73 3dnm n ALA 80 Ca 0.00 -0.56 -0.31 0.00 0.00 0.00 0.00 53.44 52.56 3dnm n ALA 80 Cb 0.00 -0.74 0.17 0.00 0.00 0.00 0.00 19.45 18.87 3dnm n ALA 80 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 3dnm n ALA 81 N -1.67 -1.83 -3.08 0.00 0.00 -1.26 -4.90 120.51 107.77 3dnm n ALA 81 Ca 0.02 -0.70 -0.12 0.00 0.00 0.00 0.00 53.44 52.64 3dnm n ALA 81 Cb 0.38 -2.01 -0.12 0.00 0.00 0.00 0.00 19.45 17.70 3dnm n ALA 81 CO 0.00 0.00 0.00 -1.01 0.00 0.00 0.00 177.50 176.49 3dnm s HIS 82 N -2.51 -0.20 -0.26 0.00 0.09 0.82 -2.94 115.29 110.27 3dnm s HIS 82 Ca 0.63 0.50 0.01 0.00 -0.00 0.00 0.00 55.06 56.20 3dnm s HIS 82 Cb -0.22 0.07 0.07 0.00 -0.00 0.00 0.00 32.58 32.50 3dnm s HIS 82 CO 0.62 -0.12 -0.02 0.42 -0.00 0.00 0.00 174.74 175.64 3dnm s ILE 83 N 0.01 1.66 -0.23 0.60 1.01 -0.54 -0.86 121.20 122.85 3dnm s ILE 83 Ca -0.01 -1.49 -0.25 0.00 0.00 0.00 0.00 60.65 58.90 3dnm s ILE 83 Cb -0.02 -1.99 -0.00 0.00 0.01 0.00 0.00 42.46 40.45 3dnm s ILE 83 CO 0.00 -0.25 0.86 -0.22 0.00 0.00 0.00 174.94 175.33 3dnm s LEU 84 N 1.30 4.09 -0.06 2.97 2.96 -0.59 0.20 118.68 129.55 3dnm s LEU 84 Ca -0.02 1.09 0.06 0.00 -0.22 0.00 0.00 54.13 55.05 3dnm s LEU 84 Cb -0.19 -3.24 -0.01 0.00 0.50 0.00 0.00 46.19 43.25 3dnm s LEU 84 CO -0.09 -0.52 -0.24 -0.47 -1.32 0.00 0.00 176.35 173.71 3dnm s TYR 85 N 2.81 2.46 -0.19 5.38 6.14 0.03 -1.99 117.35 131.99 3dnm s TYR 85 Ca 0.36 -0.71 -0.02 0.00 0.64 0.00 0.00 57.07 57.34 3dnm s TYR 85 Cb -0.15 -1.61 -0.01 0.00 0.42 0.00 0.00 41.96 40.61 3dnm s TYR 85 CO 0.08 -0.21 -0.08 -0.06 0.64 0.00 0.00 175.55 175.92 3dnm s PHE 86 N -0.16 2.91 0.85 4.97 0.08 0.09 -1.23 117.98 125.50 3dnm s PHE 86 Ca -0.04 -0.87 -0.12 0.00 0.12 0.00 0.00 56.93 56.02 3dnm s PHE 86 Cb -0.14 -2.01 0.10 0.00 -0.57 0.00 0.00 43.02 40.40 3dnm s PHE 86 CO 0.04 -0.45 1.13 -3.38 -0.10 0.00 0.00 175.22 172.46 3dnm s HIS 87 N 1.09 2.70 0.61 0.36 -3.43 -1.26 -3.07 115.29 112.30 3dnm s HIS 87 Ca 0.01 0.96 0.08 0.00 -0.80 0.00 0.00 55.06 55.31 3dnm s HIS 87 Cb -0.15 -3.29 0.10 0.00 -1.43 0.00 0.00 32.58 27.81 3dnm s HIS 87 CO -0.01 -2.05 0.84 0.20 -2.00 0.00 0.00 174.74 171.72 3dnm s GLY 88 N -4.05 1.71 0.00 -1.38 0.00 -1.16 -2.44 107.32 100.00 3dnm s GLY 88 Ca 0.62 -2.14 0.00 0.00 0.00 0.00 0.00 44.72 43.20 3dnm s GLY 88 CO 0.53 -1.63 0.00 0.61 0.00 0.00 0.00 173.10 172.61 3dnm n GLY 89 N -2.37 0.13 2.17 0.20 0.00 -1.26 -4.26 105.19 99.81 3dnm n GLY 89 Ca 0.16 0.00 -0.10 0.00 0.00 0.00 0.00 46.02 46.08 3dnm n GLY 89 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3dnm n GLY 90 N 0.00 0.11 3.66 -0.02 0.00 -1.26 -0.65 105.19 107.02 3dnm n GLY 90 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.02 3dnm n GLY 90 CO 0.00 0.00 0.00 -1.72 0.00 0.00 0.00 173.32 171.60 3dnm n TYR 91 N -2.58 0.00 -0.14 1.61 4.02 -1.26 -4.69 117.16 114.12 3dnm n TYR 91 Ca -0.11 0.00 0.00 0.00 -0.01 0.00 0.00 57.90 57.78 3dnm n TYR 91 Cb 0.48 -1.03 0.00 0.00 -0.02 0.00 0.00 39.34 38.78 3dnm n TYR 91 CO 0.00 0.00 0.00 0.44 -1.01 0.00 0.00 176.86 176.29 3dnm n ILE 92 N -2.01 0.32 -3.81 -0.72 -5.35 -0.22 -1.84 119.36 105.72 3dnm n ILE 92 Ca 0.00 -0.59 -0.09 0.00 -0.27 0.00 0.00 62.75 61.81 3dnm n ILE 92 Cb 0.01 0.93 0.03 0.00 -1.74 0.00 0.00 39.64 38.87 3dnm n ILE 92 CO 0.00 0.00 0.00 -0.94 -1.76 0.00 0.00 176.55 173.85 3dnm s SER 93 N -0.32 0.03 0.00 7.28 1.04 0.18 -4.71 113.70 117.20 3dnm s SER 93 Ca 0.00 -1.17 0.00 0.00 0.48 0.00 0.00 55.95 55.26 3dnm s SER 93 Cb 0.00 0.84 0.00 0.00 0.10 0.00 0.00 66.02 66.96 3dnm s SER 93 CO 0.00 -1.68 0.00 0.61 0.98 0.00 0.00 173.24 173.15 3dnm n GLY 94 N -0.55 0.67 3.61 7.32 0.00 -1.26 -4.07 105.19 110.91 3dnm n GLY 94 Ca -0.08 -1.81 -0.07 0.00 0.00 0.00 0.00 46.02 44.05 3dnm n GLY 94 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 3dnm s SER 95 N -1.25 -0.33 0.30 1.61 1.04 -1.26 -5.01 113.70 108.80 3dnm s SER 95 Ca 0.00 -0.20 0.04 0.00 0.48 0.00 0.00 55.95 56.27 3dnm s SER 95 Cb 0.00 0.49 0.64 0.00 0.10 0.00 0.00 66.02 67.25 3dnm s SER 95 CO 0.00 -0.85 1.83 -0.65 0.98 0.00 0.00 173.24 174.54 3dnm h PRO 96 N 2.00 0.87 0.00 4.02 0.11 -1.86 -2.90 132.00 134.24 3dnm h PRO 96 Ca -0.24 -0.05 0.00 0.00 0.11 0.00 0.00 66.00 65.81 3dnm h PRO 96 Cb 1.25 -0.20 0.00 0.00 0.11 0.00 0.00 31.00 32.16 3dnm h PRO 96 CO 0.29 0.58 0.00 0.43 -0.21 0.00 0.00 178.00 179.09 3dnm n SER 97 N -4.64 0.00 -0.28 -2.05 7.64 -1.26 -2.45 113.62 110.58 3dnm n SER 97 Ca 0.20 0.68 0.24 0.00 1.01 0.00 0.00 58.87 61.00 3dnm n SER 97 Cb 0.43 -0.18 0.42 0.00 -1.01 0.00 0.00 64.21 63.86 3dnm n SER 97 CO 0.00 0.00 0.00 0.35 -3.01 0.00 0.00 175.04 172.38 3dnm n THR 98 N -1.33 -0.18 0.38 0.44 -2.24 -1.11 0.40 114.28 110.64 3dnm n THR 98 Ca 0.00 1.17 0.10 0.00 -2.27 0.00 0.00 64.05 63.05 3dnm n THR 98 Cb 0.00 -1.91 0.26 0.00 -2.10 0.00 0.00 70.33 66.59 3dnm n THR 98 CO 0.00 0.00 0.00 1.41 -0.57 0.00 0.00 175.07 175.91 3dnm n HIS 99 N -4.04 0.61 -0.33 4.78 8.25 -1.02 -4.36 115.22 119.11 3dnm n HIS 99 Ca 0.25 -0.30 0.14 0.00 -0.26 0.00 0.00 57.72 57.55 3dnm n HIS 99 Cb 0.95 0.00 0.33 0.00 1.12 0.00 0.00 29.99 32.39 3dnm n HIS 99 CO 0.00 0.00 0.00 -0.07 0.64 0.00 0.00 176.34 176.91 3dnm h LEU 100 N 3.48 0.54 -0.77 2.41 3.38 0.20 0.10 115.31 124.65 3dnm h LEU 100 Ca 0.00 0.13 0.16 0.00 0.09 0.00 0.00 57.88 58.26 3dnm h LEU 100 Cb 0.78 0.06 -0.15 0.00 0.09 0.00 0.00 40.66 41.45 3dnm h LEU 100 CO 0.00 0.10 -0.18 0.58 0.09 0.00 0.00 178.44 179.02 3dnm h VAL 101 N 0.54 0.23 0.00 1.22 2.07 -1.78 0.36 116.25 118.89 3dnm h VAL 101 Ca 0.59 -0.00 -0.08 0.00 0.82 0.00 0.00 66.70 68.03 3dnm h VAL 101 Cb 1.06 0.23 -0.01 0.00 -1.52 0.00 0.00 31.29 31.05 3dnm h VAL 101 CO -0.47 0.00 -0.44 0.25 0.02 0.00 0.00 177.57 176.93 3dnm h LEU 102 N 0.00 0.00 -0.92 2.57 5.85 -1.18 -3.35 115.31 118.29 3dnm h LEU 102 Ca 0.37 -0.73 -0.04 0.00 0.84 0.00 0.00 57.88 58.33 3dnm h LEU 102 Cb 0.58 0.00 -0.03 0.00 0.37 0.00 0.00 40.66 41.57 3dnm h LEU 102 CO -0.79 1.12 0.33 0.71 -0.34 0.00 0.00 178.44 179.47 3dnm h THR 103 N -1.00 1.25 -0.92 1.05 1.35 -0.82 -0.80 112.91 113.02 3dnm h THR 103 Ca -0.12 -0.75 0.05 0.00 -0.55 0.00 0.00 66.41 65.05 3dnm h THR 103 Cb 1.01 0.31 -0.06 0.00 -1.73 0.00 0.00 68.15 67.68 3dnm h THR 103 CO -0.07 0.31 0.58 0.71 -0.25 0.00 0.00 175.52 176.80 3dnm h THR 104 N 1.10 1.10 -0.44 6.82 1.35 -0.47 0.47 112.91 122.84 3dnm h THR 104 Ca 0.26 -0.38 -0.08 0.00 -0.55 0.00 0.00 66.41 65.66 3dnm h THR 104 Cb 0.17 -0.09 -0.01 0.00 -1.73 0.00 0.00 68.15 66.48 3dnm h THR 104 CO -0.03 0.20 -0.05 1.56 -0.25 0.00 0.00 175.52 176.95 3dnm h GLN 105 N 1.09 0.81 -0.04 4.72 1.08 -1.56 -1.55 115.11 119.67 3dnm h GLN 105 Ca 0.38 -0.28 -0.00 0.00 -1.45 0.00 0.00 58.65 57.30 3dnm h GLN 105 Cb 0.10 -0.06 -0.00 0.00 -0.05 0.00 0.00 27.48 27.47 3dnm h GLN 105 CO -0.15 0.90 0.02 -0.07 -0.95 0.00 0.00 178.83 178.58 3dnm h LEU 106 N 0.64 0.05 -1.45 1.46 3.38 0.34 -0.70 115.31 119.03 3dnm h LEU 106 Ca 0.12 -0.06 0.02 0.00 0.09 0.00 0.00 57.88 58.05 3dnm h LEU 106 Cb 0.57 -0.01 -0.03 0.00 0.09 0.00 0.00 40.66 41.27 3dnm h LEU 106 CO 0.03 0.09 0.39 0.00 0.09 0.00 0.00 178.44 179.05 3dnm h ALA 107 N 0.95 1.64 0.00 1.53 0.00 -0.06 -3.10 119.26 120.22 3dnm h ALA 107 Ca 0.01 -0.03 -0.01 0.00 0.00 0.00 0.00 54.91 54.88 3dnm h ALA 107 Cb 0.06 -0.21 -0.00 0.00 0.00 0.00 0.00 17.79 17.63 3dnm h ALA 107 CO -0.00 0.31 -0.03 -0.22 0.00 0.00 0.00 179.25 179.31 3dnm h LYS 108 N 0.74 0.01 0.00 0.00 3.64 -0.96 -2.74 116.57 117.26 3dnm h LYS 108 Ca 0.23 -0.01 0.00 0.00 -1.27 0.00 0.00 60.65 59.60 3dnm h LYS 108 Cb 0.00 0.00 0.00 0.00 -0.41 0.00 0.00 32.23 31.83 3dnm h LYS 108 CO -0.06 1.00 0.00 1.04 -2.27 0.00 0.00 179.45 179.17 3dnm n GLN 109 N -4.60 0.44 0.00 1.90 6.02 -0.30 -1.98 117.38 118.86 3dnm n GLN 109 Ca -0.10 0.00 0.00 0.00 -0.01 0.00 0.00 57.00 56.89 3dnm n GLN 109 Cb 0.49 -1.02 0.00 0.00 1.02 0.00 0.00 30.24 30.73 3dnm n GLN 109 CO 0.00 0.00 0.00 -1.13 -1.01 0.00 0.00 177.06 174.92 3dnm n SER 110 N -0.52 0.16 -3.89 1.08 3.41 -1.17 -4.71 113.62 107.98 3dnm n SER 110 Ca 0.00 -1.03 -0.38 0.00 -0.26 0.00 0.00 58.87 57.21 3dnm n SER 110 Cb 0.00 0.00 0.03 0.00 -0.26 0.00 0.00 64.21 63.98 3dnm n SER 110 CO 0.00 0.00 0.00 -1.20 -0.16 0.00 0.00 175.04 173.68 3dnm n SER 111 N -0.01 -4.73 -3.93 4.04 7.64 -0.84 -4.85 113.62 110.94 3dnm n SER 111 Ca 0.00 -1.14 -0.09 0.00 1.01 0.00 0.00 58.87 58.65 3dnm n SER 111 Cb 0.27 -2.31 -0.10 0.00 -1.01 0.00 0.00 64.21 61.06 3dnm n SER 111 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 3dnm s ALA 112 N -3.42 -0.06 -0.19 -0.43 0.00 -1.05 -1.29 121.76 115.32 3dnm s ALA 112 Ca 0.41 -0.52 -0.26 0.00 0.00 0.00 0.00 51.96 51.60 3dnm s ALA 112 Cb -0.20 0.22 -0.01 0.00 0.00 0.00 0.00 23.12 23.13 3dnm s ALA 112 CO 0.92 -0.28 0.88 0.99 0.00 0.00 0.00 175.76 178.27 3dnm s THR 113 N -2.32 4.83 -0.15 0.00 2.01 -1.15 -4.56 115.64 114.30 3dnm s THR 113 Ca -0.07 1.71 -0.04 0.00 0.31 0.00 0.00 61.69 63.59 3dnm s THR 113 Cb -0.03 -4.17 -0.03 0.00 0.01 0.00 0.00 72.50 68.28 3dnm s THR 113 CO -0.03 -0.03 -0.00 -0.22 -0.69 0.00 0.00 174.62 173.64 3dnm s LEU 114 N 2.46 3.47 -0.47 4.42 0.20 0.13 -1.47 118.68 127.42 3dnm s LEU 114 Ca 0.39 -0.02 -0.06 0.00 0.69 0.00 0.00 54.13 55.13 3dnm s LEU 114 Cb -0.16 -1.84 0.12 0.00 -0.43 0.00 0.00 46.19 43.88 3dnm s LEU 114 CO 0.11 0.21 0.31 0.26 -0.29 0.00 0.00 176.35 176.94 3dnm s TRP 115 N 0.12 3.50 -0.58 5.38 0.52 0.13 0.05 118.94 128.06 3dnm s TRP 115 Ca 0.01 -2.19 -0.27 0.00 0.02 0.00 0.00 56.10 53.68 3dnm s TRP 115 Cb -0.13 -3.37 0.03 0.00 -1.15 0.00 0.00 33.47 28.86 3dnm s TRP 115 CO 0.02 -0.97 1.11 0.45 0.02 0.00 0.00 176.95 177.57 3dnm s SER 116 N 2.11 6.39 0.24 2.95 0.15 -0.98 -0.79 113.70 123.78 3dnm s SER 116 Ca 0.08 -0.09 -0.30 0.00 0.70 0.00 0.00 55.95 56.34 3dnm s SER 116 Cb -0.24 -2.51 -0.09 0.00 -1.71 0.00 0.00 66.02 61.47 3dnm s SER 116 CO -0.03 -1.41 1.04 -0.22 1.20 0.00 0.00 173.24 173.83 3dnm s LEU 117 N 4.63 4.57 -0.99 3.45 2.96 -0.36 -1.42 118.68 131.51 3dnm s LEU 117 Ca 0.38 2.12 -0.01 0.00 -0.22 0.00 0.00 54.13 56.40 3dnm s LEU 117 Cb -0.09 -3.62 0.31 0.00 0.50 0.00 0.00 46.19 43.29 3dnm s LEU 117 CO 0.23 -0.06 1.56 -0.67 -1.32 0.00 0.00 176.35 176.09 3dnm n ASP 118 N 1.54 6.57 -4.76 3.68 -0.08 0.12 -4.55 116.55 119.07 3dnm n ASP 118 Ca -0.01 -3.56 -0.36 0.00 -1.51 0.00 0.00 54.79 49.35 3dnm n ASP 118 Cb 0.46 -1.14 0.03 0.00 2.34 0.00 0.00 41.12 42.81 3dnm n ASP 118 CO 0.00 0.00 0.00 -0.72 0.12 0.00 0.00 177.20 176.60 3dnm s TYR 119 N -3.54 2.42 0.47 -0.67 -0.85 -1.26 -4.48 117.35 109.44 3dnm s TYR 119 Ca 0.36 1.52 -0.24 0.00 -0.52 0.00 0.00 57.07 58.20 3dnm s TYR 119 Cb 0.14 -3.45 -0.07 0.00 0.38 0.00 0.00 41.96 38.96 3dnm s TYR 119 CO -0.02 -2.13 1.37 1.03 -1.52 0.00 0.00 175.55 174.27 3dnm s ARG 120 N -3.36 3.57 0.24 -3.49 0.52 -1.26 -4.99 118.95 110.17 3dnm s ARG 120 Ca 0.76 2.27 0.07 0.00 -0.52 0.00 0.00 55.73 58.31 3dnm s ARG 120 Cb -0.29 -2.53 -0.04 0.00 0.52 0.00 0.00 34.95 32.61 3dnm s ARG 120 CO 0.33 -0.86 0.22 -0.51 0.02 0.00 0.00 175.30 174.49 3dnm s LEU 121 N -2.95 3.89 0.32 2.53 1.43 -1.26 -4.14 118.68 118.50 3dnm s LEU 121 Ca 0.64 -0.19 0.05 0.00 -1.03 0.00 0.00 54.13 53.60 3dnm s LEU 121 Cb -0.41 -2.43 -0.02 0.00 0.03 0.00 0.00 46.19 43.37 3dnm s LEU 121 CO 0.51 -0.03 0.46 0.00 0.23 0.00 0.00 176.35 177.52 3dnm s ALA 122 N -2.08 4.05 -0.41 4.21 0.00 -0.77 -2.07 121.76 124.68 3dnm s ALA 122 Ca 0.33 -1.30 0.26 0.00 0.00 0.00 0.00 51.96 51.25 3dnm s ALA 122 Cb -0.08 -1.78 0.94 0.00 0.00 0.00 0.00 23.12 22.20 3dnm s ALA 122 CO 0.25 0.01 1.78 -1.00 0.00 0.00 0.00 175.76 176.80 3dnm h PRO 123 N 0.91 0.00 -0.95 0.00 0.13 -1.89 -3.40 132.00 126.81 3dnm h PRO 123 Ca -0.48 0.00 0.25 0.00 -0.87 0.00 0.00 66.00 64.90 3dnm h PRO 123 Cb 1.24 0.00 -0.13 0.00 0.13 0.00 0.00 31.00 32.24 3dnm h PRO 123 CO 0.56 0.00 0.48 1.05 -0.23 0.00 0.00 178.00 179.86 3dnm h GLU 124 N 0.00 0.42 -2.82 0.86 9.09 -1.96 -3.30 114.58 116.86 3dnm h GLU 124 Ca 0.00 -0.03 -0.56 0.00 0.05 0.00 0.00 59.36 58.82 3dnm h GLU 124 Cb 0.57 -0.09 -0.40 0.00 -1.65 0.00 0.00 28.75 27.18 3dnm h GLU 124 CO 0.00 0.28 -0.80 -0.80 0.05 0.00 0.00 179.01 177.74 3dnm s ASN 125 N -5.13 3.39 0.99 3.06 -0.87 -0.88 -5.08 114.94 110.42 3dnm s ASN 125 Ca -0.11 -1.76 -0.13 0.00 -1.57 0.00 0.00 52.86 49.29 3dnm s ASN 125 Cb 0.27 -0.48 0.18 0.00 -0.02 0.00 0.00 41.25 41.20 3dnm s ASN 125 CO 0.79 -0.38 1.06 -2.65 -2.57 0.00 0.00 177.10 173.35 3dnm n PRO 126 N 4.63 -1.01 -1.48 -0.60 -0.02 -1.25 -3.77 135.00 131.50 3dnm n PRO 126 Ca 0.02 -1.65 -0.45 0.00 -2.02 0.00 0.00 63.50 59.40 3dnm n PRO 126 Cb 0.40 -1.08 -0.01 0.00 -0.02 0.00 0.00 33.50 32.78 3dnm n PRO 126 CO 0.00 0.00 0.00 0.34 1.98 0.00 0.00 175.50 177.82 3dnm n PHE 127 N -3.45 0.15 -0.67 6.00 7.35 -1.10 -1.85 117.46 123.89 3dnm n PHE 127 Ca 0.13 0.77 0.04 0.00 -0.76 0.00 0.00 57.45 57.63 3dnm n PHE 127 Cb 0.46 -2.07 0.34 0.00 0.35 0.00 0.00 39.48 38.55 3dnm n PHE 127 CO 0.00 0.00 0.00 -0.35 -0.76 0.00 0.00 176.76 175.65 3dnm n PRO 128 N 0.81 4.22 -0.28 -7.13 -0.04 -1.26 -5.01 135.00 126.31 3dnm n PRO 128 Ca 0.13 -2.73 -0.08 0.00 -0.04 0.00 0.00 63.50 60.77 3dnm n PRO 128 Cb 0.31 -2.16 -0.07 0.00 -0.04 0.00 0.00 33.50 31.54 3dnm n PRO 128 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 3dnm h ALA 129 N 3.53 -0.42 0.27 0.55 0.00 -1.63 0.13 119.26 121.70 3dnm h ALA 129 Ca 0.05 0.08 0.01 0.00 0.00 0.00 0.00 54.91 55.04 3dnm h ALA 129 Cb 1.87 1.24 -0.03 0.00 0.00 0.00 0.00 17.79 20.87 3dnm h ALA 129 CO 0.48 -0.71 -0.35 0.00 0.00 0.00 0.00 179.25 178.67 3dnm h ALA 130 N 0.01 -0.70 -0.69 0.00 0.00 -1.81 -2.21 119.26 113.87 3dnm h ALA 130 Ca 0.11 -0.10 0.15 0.00 0.00 0.00 0.00 54.91 55.07 3dnm h ALA 130 Cb 0.31 0.52 -0.12 0.00 0.00 0.00 0.00 17.79 18.49 3dnm h ALA 130 CO -0.64 -0.94 -0.06 0.28 0.00 0.00 0.00 179.25 177.89 3dnm h VAL 131 N -0.67 0.37 -0.50 0.00 2.07 -1.82 -0.32 116.25 115.38 3dnm h VAL 131 Ca -0.01 -0.02 0.09 0.00 0.82 0.00 0.00 66.70 67.59 3dnm h VAL 131 Cb 0.63 0.30 -0.08 0.00 -1.52 0.00 0.00 31.29 30.63 3dnm h VAL 131 CO -0.11 0.01 0.04 0.44 0.02 0.00 0.00 177.57 177.97 3dnm h ASP 132 N 0.06 -0.13 -0.85 0.57 3.45 -0.20 -1.80 116.42 117.52 3dnm h ASP 132 Ca 0.36 0.11 -0.03 0.00 0.43 0.00 0.00 57.03 57.89 3dnm h ASP 132 Cb 0.59 0.18 -0.04 0.00 -0.56 0.00 0.00 39.33 39.50 3dnm h ASP 132 CO -0.64 -0.03 0.41 0.44 -1.57 0.00 0.00 179.24 177.84 3dnm h ASP 133 N 0.16 1.12 -0.70 6.45 3.32 -0.51 -1.05 116.42 125.22 3dnm h ASP 133 Ca 0.25 -0.14 0.01 0.00 0.02 0.00 0.00 57.03 57.17 3dnm h ASP 133 Cb 0.37 -0.29 -0.03 0.00 0.22 0.00 0.00 39.33 39.60 3dnm h ASP 133 CO -0.38 0.94 0.46 0.00 -1.72 0.00 0.00 179.24 178.53 3dnm h VAL 135 N 0.95 0.64 -0.68 0.00 2.07 -0.85 -2.17 116.25 116.21 3dnm h VAL 135 Ca 0.25 -0.89 0.14 0.00 0.82 0.00 0.00 66.70 67.03 3dnm h VAL 135 Cb -0.10 1.03 -0.13 0.00 -1.52 0.00 0.00 31.29 30.58 3dnm h VAL 135 CO -0.05 0.15 -0.12 0.00 0.02 0.00 0.00 177.57 177.56 3dnm h ALA 136 N -0.45 0.52 -0.17 1.67 0.00 -0.98 0.17 119.26 120.01 3dnm h ALA 136 Ca -0.03 0.25 0.00 0.00 0.00 0.00 0.00 54.91 55.13 3dnm h ALA 136 Cb 0.51 0.48 -0.01 0.00 0.00 0.00 0.00 17.79 18.77 3dnm h ALA 136 CO 0.06 -0.42 0.11 0.00 0.00 0.00 0.00 179.25 179.00 3dnm h ALA 137 N 1.67 0.22 -0.06 0.00 0.00 -0.88 -0.50 119.26 119.71 3dnm h ALA 137 Ca 0.34 -0.01 0.03 0.00 0.00 0.00 0.00 54.91 55.27 3dnm h ALA 137 Cb 0.53 -0.07 -0.04 0.00 0.00 0.00 0.00 17.79 18.22 3dnm h ALA 137 CO -0.67 -0.30 -0.14 -0.92 0.00 0.00 0.00 179.25 177.21 3dnm h TYR 138 N 0.23 -0.37 -0.67 0.00 -0.00 -0.44 0.90 116.97 116.63 3dnm h TYR 138 Ca 0.06 0.02 0.14 0.00 -0.00 0.00 0.00 58.73 58.95 3dnm h TYR 138 Cb -0.03 0.17 -0.11 0.00 -0.00 0.00 0.00 36.73 36.77 3dnm h TYR 138 CO -0.07 -0.21 0.07 -0.09 -0.00 0.00 0.00 178.16 177.86 3dnm h ARG 139 N -0.21 0.17 -0.06 1.82 2.43 -0.41 0.30 114.38 118.42 3dnm h ARG 139 Ca 0.07 -0.01 -0.01 0.00 -0.81 0.00 0.00 59.98 59.22 3dnm h ARG 139 Cb 0.31 -0.04 -0.00 0.00 -0.42 0.00 0.00 29.97 29.82 3dnm h ARG 139 CO -0.19 0.11 0.01 0.00 -1.51 0.00 0.00 179.97 178.40 3dnm h ALA 140 N 1.58 0.08 -0.06 2.80 0.00 -0.04 -2.85 119.26 120.77 3dnm h ALA 140 Ca 0.36 -0.15 0.02 0.00 0.00 0.00 0.00 54.91 55.14 3dnm h ALA 140 Cb 0.60 -0.02 -0.00 0.00 0.00 0.00 0.00 17.79 18.36 3dnm h ALA 140 CO -0.52 -0.27 0.08 1.25 0.00 0.00 0.00 179.25 179.79 3dnm h LEU 141 N -0.15 0.00 0.19 0.00 5.85 0.29 -2.09 115.31 119.40 3dnm h LEU 141 Ca 0.02 0.00 -0.01 0.00 0.84 0.00 0.00 57.88 58.73 3dnm h LEU 141 Cb 0.28 0.00 0.00 0.00 0.37 0.00 0.00 40.66 41.32 3dnm h LEU 141 CO 0.00 0.00 -0.09 -0.07 -0.34 0.00 0.00 178.44 177.94 3dnm h LEU 142 N 0.00 -0.21 0.16 2.25 3.38 -0.26 0.44 115.31 121.06 3dnm h LEU 142 Ca 0.03 -0.21 0.02 0.00 0.09 0.00 0.00 57.88 57.80 3dnm h LEU 142 Cb 0.19 0.05 -0.04 0.00 0.09 0.00 0.00 40.66 40.96 3dnm h LEU 142 CO -0.00 0.11 -0.36 0.11 0.09 0.00 0.00 178.44 178.38 3dnm h LYS 143 N -0.55 -0.60 0.05 1.13 1.57 -1.42 0.71 116.57 117.46 3dnm h LYS 143 Ca -0.03 0.04 0.03 0.00 -1.87 0.00 0.00 60.65 58.82 3dnm h LYS 143 Cb 0.41 0.14 -0.04 0.00 0.08 0.00 0.00 32.23 32.82 3dnm h LYS 143 CO 0.04 -0.40 -0.27 1.15 -0.57 0.00 0.00 179.45 179.40 3dnm h THR 144 N -0.62 0.40 0.00 -0.16 2.02 -1.50 -1.76 112.91 111.29 3dnm h THR 144 Ca 0.02 0.00 -0.02 0.00 0.77 0.00 0.00 66.41 67.18 3dnm h THR 144 Cb 0.63 0.40 -0.00 0.00 -1.74 0.00 0.00 68.15 67.44 3dnm h THR 144 CO -0.19 0.00 -0.10 0.00 0.37 0.00 0.00 175.52 175.60 3dnm h ALA 145 N 0.33 1.59 0.00 6.16 0.00 -0.65 -3.47 119.26 123.23 3dnm h ALA 145 Ca 0.05 -0.09 0.00 0.00 0.00 0.00 0.00 54.91 54.87 3dnm h ALA 145 Cb 0.50 -0.02 0.00 0.00 0.00 0.00 0.00 17.79 18.28 3dnm h ALA 145 CO -0.20 0.12 0.00 0.41 0.00 0.00 0.00 179.25 179.58 3dnm n GLY 146 N -1.07 2.40 3.00 0.00 0.00 0.24 -4.93 105.19 104.83 3dnm n GLY 146 Ca -0.02 -0.48 -0.18 0.00 0.00 0.00 0.00 46.02 45.33 3dnm n GLY 146 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 3dnm s SER 147 N 0.00 0.97 0.24 1.61 0.15 -1.25 -4.82 113.70 110.60 3dnm s SER 147 Ca 0.00 -0.15 0.19 0.00 0.70 0.00 0.00 55.95 56.69 3dnm s SER 147 Cb 0.00 -0.14 0.93 0.00 -1.71 0.00 0.00 66.02 65.10 3dnm s SER 147 CO 0.00 0.09 1.58 0.00 1.20 0.00 0.00 173.24 176.11 3dnm n ALA 148 N 2.98 1.26 0.24 5.45 0.00 -1.26 -2.07 120.51 127.10 3dnm n ALA 148 Ca -0.14 0.12 0.12 0.00 0.00 0.00 0.00 53.44 53.54 3dnm n ALA 148 Cb 0.57 -1.29 0.51 0.00 0.00 0.00 0.00 19.45 19.23 3dnm n ALA 148 CO 0.00 0.00 0.00 -0.44 0.00 0.00 0.00 177.50 177.06 3dnm h ASP 149 N 0.00 0.00 -0.48 0.00 3.45 -1.93 -3.02 116.42 114.43 3dnm h ASP 149 Ca 0.00 0.00 0.00 0.00 0.43 0.00 0.00 57.03 57.46 3dnm h ASP 149 Cb 0.13 0.00 0.00 0.00 -0.56 0.00 0.00 39.33 38.90 3dnm h ASP 149 CO 0.00 0.16 0.00 0.54 -1.57 0.00 0.00 179.24 178.37 3dnm n ARG 150 N -3.30 3.72 -4.27 3.56 1.74 -0.88 -4.62 116.66 112.61 3dnm n ARG 150 Ca 0.00 -2.86 -0.27 0.00 -0.77 0.00 0.00 57.85 53.95 3dnm n ARG 150 Cb 0.40 -1.91 -0.09 0.00 -1.02 0.00 0.00 32.46 29.83 3dnm n ARG 150 CO 0.00 0.00 0.00 0.42 -1.52 0.00 0.00 177.63 176.53 3dnm s ILE 151 N -2.30 3.26 -0.05 0.55 1.01 -1.15 -0.13 121.20 122.39 3dnm s ILE 151 Ca 0.46 -1.56 -0.06 0.00 0.00 0.00 0.00 60.65 59.49 3dnm s ILE 151 Cb 0.33 -2.60 0.01 0.00 0.01 0.00 0.00 42.46 40.22 3dnm s ILE 151 CO 0.17 -0.06 0.17 -0.63 0.00 0.00 0.00 174.94 174.58 3dnm s ILE 152 N -1.60 0.02 -0.08 2.92 1.01 -0.04 -1.64 121.20 121.79 3dnm s ILE 152 Ca 0.24 -0.18 -0.01 0.00 0.00 0.00 0.00 60.65 60.70 3dnm s ILE 152 Cb -0.09 -0.30 -0.03 0.00 0.01 0.00 0.00 42.46 42.05 3dnm s ILE 152 CO 0.15 -0.10 -0.01 -0.63 0.00 0.00 0.00 174.94 174.35 3dnm s ILE 153 N -0.29 4.20 0.05 2.92 -1.09 0.47 -1.55 121.20 125.92 3dnm s ILE 153 Ca -0.04 -0.29 -0.18 0.00 -2.23 0.00 0.00 60.65 57.92 3dnm s ILE 153 Cb -0.03 -2.76 0.03 0.00 -1.58 0.00 0.00 42.46 38.12 3dnm s ILE 153 CO 0.01 0.60 0.40 0.00 -1.23 0.00 0.00 174.94 174.72 3dnm s ALA 154 N -0.84 -0.97 -0.22 9.38 0.00 -0.84 0.51 121.76 128.78 3dnm s ALA 154 Ca 0.13 0.26 -0.36 0.00 0.00 0.00 0.00 51.96 51.99 3dnm s ALA 154 Cb -0.11 0.36 0.15 0.00 0.00 0.00 0.00 23.12 23.51 3dnm s ALA 154 CO 0.02 -0.46 1.25 0.20 0.00 0.00 0.00 175.76 176.77 3dnm s GLY 155 N -2.05 -0.25 -0.03 0.00 0.00 -0.84 -0.73 107.32 103.42 3dnm s GLY 155 Ca -0.05 1.74 0.01 0.00 0.00 0.00 0.00 44.72 46.42 3dnm s GLY 155 CO -0.03 0.59 -0.01 0.51 0.00 0.00 0.00 173.10 174.17 3dnm s ASP 156 N -2.06 5.08 1.19 1.64 -4.77 -1.17 -1.45 116.67 115.13 3dnm s ASP 156 Ca 0.10 0.02 0.00 0.00 -3.30 0.00 0.00 52.55 49.36 3dnm s ASP 156 Cb -0.01 -1.34 0.00 0.00 -1.09 0.00 0.00 42.92 40.48 3dnm s ASP 156 CO -0.04 0.31 0.00 -0.24 0.70 0.00 0.00 175.17 175.90 3dnm n SER 157 N 1.63 0.00 -0.31 2.11 2.88 0.15 -0.01 113.62 120.08 3dnm n SER 157 Ca -0.16 0.00 0.03 0.00 -1.33 0.00 0.00 58.87 57.41 3dnm n SER 157 Cb 0.53 0.00 0.17 0.00 -0.75 0.00 0.00 64.21 64.16 3dnm n SER 157 CO 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 175.04 173.81 3dnm h ALA 158 N -0.59 1.24 0.00 -1.46 0.00 -1.84 0.49 119.26 117.09 3dnm h ALA 158 Ca 0.00 0.02 -0.00 0.00 0.00 0.00 0.00 54.91 54.92 3dnm h ALA 158 Cb 0.00 -0.18 -0.00 0.00 0.00 0.00 0.00 17.79 17.61 3dnm h ALA 158 CO 0.00 0.19 -0.01 0.78 0.00 0.00 0.00 179.25 180.21 3dnm h GLY 159 N 0.90 0.00 1.89 0.00 0.00 -0.09 0.20 103.07 105.97 3dnm h GLY 159 Ca 0.41 0.00 -0.19 0.00 0.00 0.00 0.00 47.33 47.54 3dnm h GLY 159 CO -0.22 0.00 -0.90 -1.33 0.00 0.00 0.00 176.54 174.09 3dnm h GLY 160 N 0.07 0.10 2.00 4.60 0.00 0.23 -2.82 103.07 107.24 3dnm h GLY 160 Ca -0.00 -0.20 -0.12 0.00 0.00 0.00 0.00 47.33 47.01 3dnm h GLY 160 CO 0.00 0.18 -0.55 -1.33 0.00 0.00 0.00 176.54 174.83 3dnm h GLY 161 N 2.25 0.00 2.00 4.60 0.00 0.10 -3.08 103.07 108.94 3dnm h GLY 161 Ca -0.03 0.00 -0.17 0.00 0.00 0.00 0.00 47.33 47.13 3dnm h GLY 161 CO 0.13 0.00 -0.80 1.41 0.00 0.00 0.00 176.54 177.28 3dnm h LEU 162 N 0.00 0.00 -1.78 3.11 3.38 -1.32 -0.31 115.31 118.39 3dnm h LEU 162 Ca -0.01 0.00 -0.03 0.00 0.09 0.00 0.00 57.88 57.93 3dnm h LEU 162 Cb 1.10 0.00 -0.00 0.00 0.09 0.00 0.00 40.66 41.84 3dnm h LEU 162 CO 0.07 0.80 -0.15 0.00 0.09 0.00 0.00 178.44 179.25 3dnm h THR 163 N 0.00 0.94 0.00 0.22 1.03 -1.40 0.11 112.91 113.80 3dnm h THR 163 Ca -0.01 -0.54 -0.11 0.00 -0.01 0.00 0.00 66.41 65.74 3dnm h THR 163 Cb 1.58 1.31 -0.02 0.00 -1.07 0.00 0.00 68.15 69.95 3dnm h THR 163 CO 0.10 0.15 -0.80 0.74 -0.01 0.00 0.00 175.52 175.71 3dnm h THR 164 N 0.00 0.54 -0.62 0.00 2.02 -1.61 -3.31 112.91 109.94 3dnm h THR 164 Ca -0.00 -1.64 0.10 0.00 0.77 0.00 0.00 66.41 65.64 3dnm h THR 164 Cb 0.30 1.26 -0.11 0.00 -1.74 0.00 0.00 68.15 67.85 3dnm h THR 164 CO 0.02 0.18 -0.41 0.00 0.37 0.00 0.00 175.52 175.68 3dnm h ALA 165 N -0.70 -0.23 -0.39 6.16 0.00 -0.92 0.19 119.26 123.37 3dnm h ALA 165 Ca -0.16 0.13 0.00 0.00 0.00 0.00 0.00 54.91 54.88 3dnm h ALA 165 Cb 0.88 0.93 -0.02 0.00 0.00 0.00 0.00 17.79 19.58 3dnm h ALA 165 CO -0.10 -0.78 0.25 0.66 0.00 0.00 0.00 179.25 179.28 3dnm h SER 166 N -0.19 0.45 0.87 0.00 4.64 -0.99 -0.64 113.55 117.68 3dnm h SER 166 Ca 0.20 -0.01 -0.12 0.00 -0.47 0.00 0.00 61.79 61.39 3dnm h SER 166 Cb 0.56 -0.11 -0.02 0.00 -0.31 0.00 0.00 62.40 62.52 3dnm h SER 166 CO -0.71 0.33 -0.55 0.24 -0.87 0.00 0.00 176.83 175.27 3dnm h MET 167 N 0.53 0.00 -0.07 4.77 2.86 -0.80 0.19 114.93 122.40 3dnm h MET 167 Ca 0.14 0.00 -0.10 0.00 -2.06 0.00 0.00 59.70 57.68 3dnm h MET 167 Cb -0.05 0.00 0.00 0.00 0.06 0.00 0.00 31.60 31.62 3dnm h MET 167 CO -0.03 0.55 -0.36 -0.07 1.06 0.00 0.00 176.91 178.07 3dnm h LEU 168 N 0.00 0.44 -1.49 1.22 3.38 -0.25 -0.57 115.31 118.04 3dnm h LEU 168 Ca -0.01 -0.65 -0.02 0.00 0.09 0.00 0.00 57.88 57.29 3dnm h LEU 168 Cb 1.13 -0.13 -0.02 0.00 0.09 0.00 0.00 40.66 41.74 3dnm h LEU 168 CO 0.07 1.02 0.11 0.50 0.09 0.00 0.00 178.44 180.23 3dnm h LYS 169 N -0.11 0.45 -0.26 1.13 3.11 -0.97 -0.33 116.57 119.60 3dnm h LYS 169 Ca -0.02 -0.06 -0.17 0.00 -2.81 0.00 0.00 60.65 57.59 3dnm h LYS 169 Cb 1.01 -0.09 0.00 0.00 -1.00 0.00 0.00 32.23 32.15 3dnm h LYS 169 CO 0.07 0.39 -0.50 0.00 -2.81 0.00 0.00 179.45 176.61 3dnm h ALA 170 N 1.68 0.40 -0.19 5.00 0.00 -0.50 -1.21 119.26 124.44 3dnm h ALA 170 Ca 0.11 -0.49 0.01 0.00 0.00 0.00 0.00 54.91 54.54 3dnm h ALA 170 Cb 0.12 -0.07 -0.02 0.00 0.00 0.00 0.00 17.79 17.83 3dnm h ALA 170 CO -0.01 0.58 0.08 -0.22 0.00 0.00 0.00 179.25 179.69 3dnm h LYS 171 N 0.54 0.18 0.01 0.00 3.64 -0.40 0.44 116.57 120.98 3dnm h LYS 171 Ca 0.01 -0.01 0.01 0.00 -1.27 0.00 0.00 60.65 59.39 3dnm h LYS 171 Cb 1.11 -0.04 -0.03 0.00 -0.41 0.00 0.00 32.23 32.86 3dnm h LYS 171 CO 0.11 0.12 -0.29 0.93 -2.27 0.00 0.00 179.45 178.05 3dnm h GLU 172 N 0.18 -0.36 -1.01 1.90 5.08 -0.96 -1.46 114.58 117.96 3dnm h GLU 172 Ca 0.08 0.02 0.22 0.00 -1.00 0.00 0.00 59.36 58.69 3dnm h GLU 172 Cb 0.03 0.08 -0.11 0.00 0.50 0.00 0.00 28.75 29.25 3dnm h GLU 172 CO -0.06 -0.24 0.61 -0.44 -1.00 0.00 0.00 179.01 177.88 3dnm h ASP 173 N -0.37 0.69 0.00 1.42 5.19 -0.89 -3.46 116.42 119.00 3dnm h ASP 173 Ca 0.01 0.11 0.00 0.00 -0.62 0.00 0.00 57.03 56.53 3dnm h ASP 173 Cb 0.39 -0.00 0.00 0.00 0.18 0.00 0.00 39.33 39.90 3dnm h ASP 173 CO -0.19 0.18 0.00 0.61 -3.12 0.00 0.00 179.24 176.72 3dnm n GLY 174 N -1.34 1.80 3.88 2.75 0.00 0.14 -5.09 105.19 107.33 3dnm n GLY 174 Ca 0.25 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.97 3dnm n GLY 174 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 3dnm s LEU 175 N 0.00 3.69 0.36 0.99 1.43 -0.43 -5.00 118.68 119.73 3dnm s LEU 175 Ca 0.00 1.19 -0.26 0.00 -1.03 0.00 0.00 54.13 54.03 3dnm s LEU 175 Cb 0.00 -4.12 -0.09 0.00 0.03 0.00 0.00 46.19 42.01 3dnm s LEU 175 CO 0.00 -0.52 1.11 -2.16 0.23 0.00 0.00 176.35 175.01 3dnm s PRO 176 N -4.22 4.27 0.23 1.29 0.04 -1.26 -4.50 135.00 130.86 3dnm s PRO 176 Ca 0.52 1.72 -0.30 0.00 0.04 0.00 0.00 61.00 62.98 3dnm s PRO 176 Cb -0.10 -2.79 -0.09 0.00 0.04 0.00 0.00 34.50 31.56 3dnm s PRO 176 CO 0.37 -0.10 1.12 -1.64 0.04 0.00 0.00 177.00 176.79 3dnm s MET 177 N -2.10 4.59 1.23 4.56 -1.94 -1.26 -4.96 119.30 119.42 3dnm s MET 177 Ca 0.53 1.80 -0.17 0.00 -1.71 0.00 0.00 55.69 56.15 3dnm s MET 177 Cb -0.28 -3.22 0.27 0.00 2.01 0.00 0.00 34.83 33.61 3dnm s MET 177 CO 0.36 0.10 0.71 -2.30 -0.01 0.00 0.00 175.02 173.88 3dnm n PRO 178 N 1.79 -2.90 0.21 2.03 -0.02 -1.26 -4.78 135.00 130.07 3dnm n PRO 178 Ca 0.01 -0.83 0.10 0.00 -2.02 0.00 0.00 63.50 60.76 3dnm n PRO 178 Cb 0.45 -1.96 0.29 0.00 -0.02 0.00 0.00 33.50 32.26 3dnm n PRO 178 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 3dnm h ALA 179 N -2.81 0.92 -1.15 3.55 0.00 -1.28 -3.43 119.26 115.06 3dnm h ALA 179 Ca -0.54 -0.17 0.30 0.00 0.00 0.00 0.00 54.91 54.50 3dnm h ALA 179 Cb 1.30 -0.03 -0.21 0.00 0.00 0.00 0.00 17.79 18.85 3dnm h ALA 179 CO 0.40 0.23 0.94 0.20 0.00 0.00 0.00 179.25 181.01 3dnm s GLY 180 N -4.29 -0.19 -0.12 0.00 0.00 -1.25 -4.47 107.32 97.00 3dnm s GLY 180 Ca 0.04 1.95 0.02 0.00 0.00 0.00 0.00 44.72 46.73 3dnm s GLY 180 CO 0.66 0.67 -0.18 1.08 0.00 0.00 0.00 173.10 175.33 3dnm s LEU 181 N -1.93 1.90 -0.18 0.66 1.43 0.34 -0.39 118.68 120.50 3dnm s LEU 181 Ca 0.11 -0.50 -0.01 0.00 -1.03 0.00 0.00 54.13 52.69 3dnm s LEU 181 Cb -0.01 -1.24 0.00 0.00 0.03 0.00 0.00 46.19 44.97 3dnm s LEU 181 CO -0.03 0.05 -0.12 -0.69 0.23 0.00 0.00 176.35 175.79 3dnm s VAL 182 N 0.85 2.81 -0.04 -1.59 1.01 0.18 0.06 120.40 123.68 3dnm s VAL 182 Ca -0.08 -0.70 0.05 0.00 0.00 0.00 0.00 61.98 61.25 3dnm s VAL 182 Cb -0.15 -2.22 -0.01 0.00 0.00 0.00 0.00 36.38 33.99 3dnm s VAL 182 CO -0.01 0.49 -0.20 -0.04 0.00 0.00 0.00 175.10 175.34 3dnm s MET 183 N 1.16 1.96 -0.33 2.72 -1.94 -0.30 -1.99 119.30 120.57 3dnm s MET 183 Ca 0.01 -0.72 -0.04 0.00 -1.71 0.00 0.00 55.69 53.23 3dnm s MET 183 Cb -0.14 -1.73 0.05 0.00 2.01 0.00 0.00 34.83 35.02 3dnm s MET 183 CO -0.04 0.33 0.07 -0.51 -0.01 0.00 0.00 175.02 174.86 3dnm s LEU 184 N -0.14 4.23 -1.25 -0.03 1.02 -0.53 -1.62 118.68 120.36 3dnm s LEU 184 Ca -0.01 -1.26 -0.08 0.00 0.02 0.00 0.00 54.13 52.79 3dnm s LEU 184 Cb -0.11 -1.80 -0.01 0.00 0.02 0.00 0.00 46.19 44.29 3dnm s LEU 184 CO 0.02 -0.32 0.68 -1.20 0.02 0.00 0.00 176.35 175.55 3dnm n SER 185 N 4.72 -2.88 -4.61 2.29 7.64 0.50 -0.67 113.62 120.62 3dnm n SER 185 Ca -0.12 -0.93 -0.45 0.00 1.01 0.00 0.00 58.87 58.38 3dnm n SER 185 Cb 0.44 -3.63 -0.02 0.00 -1.01 0.00 0.00 64.21 59.99 3dnm n SER 185 CO 0.00 0.00 0.00 -2.65 -3.01 0.00 0.00 175.04 169.38 3dnm n PRO 186 N -4.20 1.47 -3.55 1.43 -0.02 -1.26 -2.95 135.00 125.92 3dnm n PRO 186 Ca -0.21 0.52 -0.41 0.00 -2.02 0.00 0.00 63.50 61.38 3dnm n PRO 186 Cb 0.64 -1.94 -0.08 0.00 -0.02 0.00 0.00 33.50 32.10 3dnm n PRO 186 CO 0.00 0.00 0.00 0.12 1.98 0.00 0.00 175.50 177.60 3dnm s PHE 187 N -0.90 3.45 0.00 6.00 5.99 -0.49 -4.47 117.98 127.56 3dnm s PHE 187 Ca 0.60 -1.96 0.00 0.00 0.00 0.00 0.00 56.93 55.57 3dnm s PHE 187 Cb -0.70 -3.50 0.00 0.00 0.00 0.00 0.00 43.02 38.82 3dnm s PHE 187 CO 0.59 -0.98 0.58 1.33 -0.00 0.00 0.00 175.22 176.73 3dnm n VAL 188 N 4.72 0.33 -3.66 3.12 0.24 -1.26 -3.87 118.33 117.94 3dnm n VAL 188 Ca -0.05 -0.47 -0.29 0.00 -2.04 0.00 0.00 64.34 61.49 3dnm n VAL 188 Cb 0.41 1.01 -0.14 0.00 -1.47 0.00 0.00 33.84 33.65 3dnm n VAL 188 CO 0.00 0.00 0.00 -0.62 -2.14 0.00 0.00 176.83 174.07 3dnm s ASP 189 N -0.33 3.64 0.00 -1.34 3.68 -1.26 -3.11 116.67 117.95 3dnm s ASP 189 Ca 0.00 -2.13 0.07 0.00 2.13 0.00 0.00 52.55 52.61 3dnm s ASP 189 Cb 0.00 -0.82 0.39 0.00 -1.45 0.00 0.00 42.92 41.04 3dnm s ASP 189 CO 0.00 -0.33 1.09 0.18 0.13 0.00 0.00 175.17 176.23 3dnm n LEU 190 N 4.17 0.00 -0.13 -1.34 4.32 -1.26 -2.61 117.00 120.15 3dnm n LEU 190 Ca 0.05 0.00 0.15 0.00 -0.02 0.00 0.00 56.01 56.18 3dnm n LEU 190 Cb 0.38 0.00 0.67 0.00 -1.62 0.00 0.00 43.42 42.85 3dnm n LEU 190 CO 0.17 0.00 0.92 0.35 -1.22 0.00 0.00 177.39 177.61 3dnm n THR 191 N -0.62 0.00 -3.52 -5.08 -2.24 -1.26 -4.93 114.28 96.62 3dnm n THR 191 Ca 0.05 -0.07 -0.25 0.00 -2.27 0.00 0.00 64.05 61.51 3dnm n THR 191 Cb 0.02 -0.12 -0.05 0.00 -2.10 0.00 0.00 70.33 68.09 3dnm n THR 191 CO 0.00 0.00 0.00 0.18 -0.57 0.00 0.00 175.07 174.68 3dnm n LEU 192 N -0.84 -0.49 -0.19 3.22 4.77 -1.07 -4.86 117.00 117.54 3dnm n LEU 192 Ca 0.17 -0.60 0.04 0.00 -0.03 0.00 0.00 56.01 55.59 3dnm n LEU 192 Cb 0.25 -1.21 0.08 0.00 -2.33 0.00 0.00 43.42 40.21 3dnm n LEU 192 CO 0.22 0.06 0.55 -1.54 -1.33 0.00 0.00 177.39 175.35 3dnm n SER 193 N -1.78 2.38 -5.00 -1.43 3.41 -1.26 -4.86 113.62 105.08 3dnm n SER 193 Ca 0.07 -2.33 -0.18 0.00 -0.26 0.00 0.00 58.87 56.18 3dnm n SER 193 Cb 0.40 -0.18 0.01 0.00 -0.26 0.00 0.00 64.21 64.18 3dnm n SER 193 CO 0.00 0.00 0.00 -0.13 -0.16 0.00 0.00 175.04 174.75 3dnm s ARG 194 N -1.57 2.89 0.13 4.33 0.52 -1.26 -4.98 118.95 119.01 3dnm s ARG 194 Ca 0.14 -1.16 -0.14 0.00 -0.52 0.00 0.00 55.73 54.06 3dnm s ARG 194 Cb 0.11 -2.76 0.08 0.00 0.52 0.00 0.00 34.95 32.90 3dnm s ARG 194 CO 0.04 -0.21 0.96 1.87 0.02 0.00 0.00 175.30 177.98 3dnm n TRP 195 N -1.82 -0.08 -0.34 -0.53 -0.00 -1.26 -0.46 117.44 112.95 3dnm n TRP 195 Ca 0.06 0.77 -0.03 0.00 -0.00 0.00 0.00 57.50 58.30 3dnm n TRP 195 Cb 0.59 -0.67 0.09 0.00 -0.00 0.00 0.00 31.31 31.32 3dnm n TRP 195 CO 0.00 0.00 0.00 0.66 -0.00 0.00 0.00 177.69 178.35 3dnm h SER 196 N 0.00 1.06 -1.05 5.87 4.64 -1.90 0.05 113.55 122.23 3dnm h SER 196 Ca 0.18 -0.03 0.29 0.00 -0.47 0.00 0.00 61.79 61.76 3dnm h SER 196 Cb 0.33 -0.27 -0.12 0.00 -0.31 0.00 0.00 62.40 62.03 3dnm h SER 196 CO -0.60 0.77 0.63 0.78 -0.87 0.00 0.00 176.83 177.55 3dnm h ASN 197 N 1.25 0.53 0.00 4.97 2.35 0.10 0.60 115.58 125.38 3dnm h ASN 197 Ca 0.34 0.14 -0.37 0.00 -0.55 0.00 0.00 56.30 55.85 3dnm h ASN 197 Cb -0.13 0.07 -0.06 0.00 0.05 0.00 0.00 38.32 38.24 3dnm h ASN 197 CO -0.07 0.00 -2.32 -1.54 -1.65 0.00 0.00 177.43 171.85 3dnm n SER 198 N -4.84 2.00 0.16 5.81 3.41 -1.16 -3.94 113.62 115.05 3dnm n SER 198 Ca 0.29 0.06 0.05 0.00 -0.26 0.00 0.00 58.87 59.01 3dnm n SER 198 Cb 0.92 -0.52 0.49 0.00 -0.26 0.00 0.00 64.21 64.84 3dnm n SER 198 CO 0.00 0.00 0.00 0.78 -0.16 0.00 0.00 175.04 175.66 3dnm h ASN 199 N -0.39 0.16 -0.06 4.04 2.35 -0.79 -3.12 115.58 117.77 3dnm h ASN 199 Ca -0.56 -0.02 0.00 0.00 -0.55 0.00 0.00 56.30 55.18 3dnm h ASN 199 Cb 1.68 -0.04 0.00 0.00 0.05 0.00 0.00 38.32 40.01 3dnm h ASN 199 CO -0.21 0.23 0.00 0.18 -1.65 0.00 0.00 177.43 175.97 3dnm n LEU 200 N -4.40 1.83 -0.27 1.61 4.77 0.19 -4.72 117.00 116.00 3dnm n LEU 200 Ca -0.01 -1.27 0.04 0.00 -0.03 0.00 0.00 56.01 54.74 3dnm n LEU 200 Cb 0.17 -0.04 0.13 0.00 -2.33 0.00 0.00 43.42 41.36 3dnm n LEU 200 CO 0.36 0.41 0.75 0.00 -1.33 0.00 0.00 177.39 177.58 3dnm h ALA 201 N 1.29 0.65 -0.67 -1.18 0.00 -1.53 0.18 119.26 118.01 3dnm h ALA 201 Ca 0.00 0.29 0.09 0.00 0.00 0.00 0.00 54.91 55.29 3dnm h ALA 201 Cb 0.38 0.54 -0.07 0.00 0.00 0.00 0.00 17.79 18.63 3dnm h ALA 201 CO 0.00 -0.43 0.31 -0.44 0.00 0.00 0.00 179.25 178.69 3dnm h ASP 202 N 0.03 0.38 0.61 0.00 3.32 -1.84 -2.75 116.42 116.17 3dnm h ASP 202 Ca 0.40 0.06 -0.05 0.00 0.02 0.00 0.00 57.03 57.47 3dnm h ASP 202 Cb 0.67 0.01 -0.01 0.00 0.22 0.00 0.00 39.33 40.22 3dnm h ASP 202 CO -0.77 0.22 -0.23 0.03 -1.72 0.00 0.00 179.24 176.77 3dnm h ARG 203 N 0.53 0.00 -5.72 3.56 3.08 -0.98 -3.41 114.38 111.44 3dnm h ARG 203 Ca 0.33 0.00 -0.61 0.00 0.07 0.00 0.00 59.98 59.77 3dnm h ARG 203 Cb 0.36 0.00 -0.13 0.00 0.08 0.00 0.00 29.97 30.28 3dnm h ARG 203 CO -0.27 0.23 0.65 0.34 -1.07 0.00 0.00 179.97 179.85 3dnm s ASP 204 N -6.33 6.21 -0.15 7.04 -1.08 -0.99 -4.87 116.67 116.50 3dnm s ASP 204 Ca -0.01 -0.73 0.06 0.00 -0.52 0.00 0.00 52.55 51.35 3dnm s ASP 204 Cb 0.12 -2.45 0.43 0.00 -1.46 0.00 0.00 42.92 39.56 3dnm s ASP 204 CO 0.64 -1.46 1.24 0.49 0.52 0.00 0.00 175.17 176.59 3dnm n PHE 205 N 7.96 1.23 0.10 -5.34 3.72 -1.26 -4.29 117.46 119.58 3dnm n PHE 205 Ca -0.01 -0.56 0.00 0.00 -0.05 0.00 0.00 57.45 56.83 3dnm n PHE 205 Cb 0.47 -0.39 0.00 0.00 -0.94 0.00 0.00 39.48 38.62 3dnm n PHE 205 CO 0.00 0.00 0.00 1.28 -0.05 0.00 0.00 176.76 177.99 3dnm n LEU 206 N 0.19 0.29 -4.47 4.37 4.77 -1.26 -4.69 117.00 116.19 3dnm n LEU 206 Ca 0.18 0.32 -0.44 0.00 -0.03 0.00 0.00 56.01 56.05 3dnm n LEU 206 Cb 0.84 0.11 0.00 0.00 -2.33 0.00 0.00 43.42 42.04 3dnm n LEU 206 CO 0.21 -0.75 1.60 0.00 -1.33 0.00 0.00 177.39 177.11 3dnm n ALA 207 N -3.37 3.85 -1.93 -1.18 0.00 -1.26 -4.98 120.51 111.63 3dnm n ALA 207 Ca 0.00 -4.13 -0.31 0.00 0.00 0.00 0.00 53.44 49.00 3dnm n ALA 207 Cb 0.00 -3.21 0.00 0.00 0.00 0.00 0.00 19.45 16.24 3dnm n ALA 207 CO 0.00 0.00 0.00 -1.21 0.00 0.00 0.00 177.50 176.29 3dnm s GLU 208 N 2.30 3.63 0.04 0.00 2.02 -1.26 -4.67 118.70 120.76 3dnm s GLU 208 Ca 0.46 0.69 -0.13 0.00 0.02 0.00 0.00 54.97 56.01 3dnm s GLU 208 Cb -0.00 -2.13 -0.05 0.00 0.10 0.00 0.00 34.13 32.04 3dnm s GLU 208 CO 0.02 -0.48 1.22 -1.35 0.02 0.00 0.00 175.26 174.69 3dnm h PRO 209 N -0.10 -0.26 -0.25 0.39 0.11 -1.88 -1.41 132.00 128.61 3dnm h PRO 209 Ca -0.45 0.02 0.07 0.00 0.11 0.00 0.00 66.00 65.75 3dnm h PRO 209 Cb 1.19 0.06 -0.01 0.00 0.11 0.00 0.00 31.00 32.35 3dnm h PRO 209 CO 0.62 -0.17 0.19 -0.44 -0.21 0.00 0.00 178.00 177.99 3dnm h ASP 210 N -0.27 0.00 0.00 -2.05 3.32 -2.00 -2.72 116.42 112.71 3dnm h ASP 210 Ca 0.00 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.05 3dnm h ASP 210 Cb 0.28 0.00 0.00 0.00 0.22 0.00 0.00 39.33 39.83 3dnm h ASP 210 CO -0.14 0.00 0.00 0.41 -1.72 0.00 0.00 179.24 177.79 3dnm n THR 211 N -4.34 0.00 -0.38 0.35 -1.04 -0.80 -3.08 114.28 104.99 3dnm n THR 211 Ca 0.03 1.40 0.30 0.00 -2.04 0.00 0.00 64.05 63.73 3dnm n THR 211 Cb 0.34 -2.39 0.57 0.00 -1.82 0.00 0.00 70.33 67.03 3dnm n THR 211 CO 0.00 0.00 0.00 -0.07 -0.64 0.00 0.00 175.07 174.36 3dnm h LEU 212 N 0.00 0.36 0.00 -4.42 3.38 -1.30 -1.59 115.31 111.74 3dnm h LEU 212 Ca 0.00 0.12 0.00 0.00 0.09 0.00 0.00 57.88 58.09 3dnm h LEU 212 Cb 0.00 0.08 0.00 0.00 0.09 0.00 0.00 40.66 40.83 3dnm h LEU 212 CO 0.00 -0.07 0.00 0.61 0.09 0.00 0.00 178.44 179.07 3dnm n GLY 213 N -1.47 -2.85 0.26 0.83 0.00 -1.03 0.46 105.19 101.39 3dnm n GLY 213 Ca 0.32 0.30 0.10 0.00 0.00 0.00 0.00 46.02 46.73 3dnm n GLY 213 CO 0.00 0.00 0.00 1.05 0.00 0.00 0.00 173.32 174.37 3dnm h GLU 214 N 0.00 0.00 0.64 1.61 4.11 -1.47 -0.04 114.58 119.43 3dnm h GLU 214 Ca 0.00 0.00 -0.03 0.00 0.07 0.00 0.00 59.36 59.40 3dnm h GLU 214 Cb 0.00 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 29.24 3dnm h GLU 214 CO 0.00 0.09 -0.44 1.98 0.07 0.00 0.00 179.01 180.71 3dnm h MET 215 N 0.00 -0.99 0.47 1.06 4.05 -0.77 0.00 114.93 118.74 3dnm h MET 215 Ca -0.00 0.07 -0.01 0.00 -0.28 0.00 0.00 59.70 59.47 3dnm h MET 215 Cb 0.19 0.23 -0.02 0.00 -0.80 0.00 0.00 31.60 31.19 3dnm h MET 215 CO 0.01 -0.66 -0.46 1.03 0.23 0.00 0.00 176.91 177.06 3dnm h SER 216 N -1.03 -1.27 -0.82 1.39 0.87 0.71 -2.52 113.55 110.89 3dnm h SER 216 Ca -0.09 0.10 0.11 0.00 -1.23 0.00 0.00 61.79 60.68 3dnm h SER 216 Cb 0.84 0.42 -0.12 0.00 -0.44 0.00 0.00 62.40 63.10 3dnm h SER 216 CO 0.05 -0.61 -0.38 -0.62 -0.53 0.00 0.00 176.83 174.75 3dnm n GLU 217 N -5.23 -0.25 -0.25 2.24 1.02 -0.09 -0.52 120.64 117.56 3dnm n GLU 217 Ca -0.11 1.25 -0.06 0.00 -0.02 0.00 0.00 57.16 58.22 3dnm n GLU 217 Cb 0.42 -1.86 0.08 0.00 -0.02 0.00 0.00 31.44 30.07 3dnm n GLU 217 CO 0.00 0.00 0.00 -0.07 1.18 0.00 0.00 177.13 178.24 3dnm h LEU 218 N 0.00 1.04 -0.17 -4.62 3.38 -0.90 -2.72 115.31 111.33 3dnm h LEU 218 Ca 0.23 -0.20 -0.06 0.00 0.09 0.00 0.00 57.88 57.94 3dnm h LEU 218 Cb 0.44 -0.27 -0.00 0.00 0.09 0.00 0.00 40.66 40.91 3dnm h LEU 218 CO -0.80 0.97 -0.14 0.22 0.09 0.00 0.00 178.44 178.78 3dnm h TYR 219 N 1.06 0.47 -0.86 1.13 -0.00 -0.35 -3.25 116.97 115.17 3dnm h TYR 219 Ca 0.23 -0.13 0.04 0.00 -0.00 0.00 0.00 58.73 58.86 3dnm h TYR 219 Cb 0.31 -0.10 -0.05 0.00 -0.00 0.00 0.00 36.73 36.89 3dnm h TYR 219 CO 0.02 0.75 0.56 0.28 -0.00 0.00 0.00 178.16 179.78 3dnm h VAL 220 N 0.05 1.13 -6.42 1.81 2.07 -0.79 -2.91 116.25 111.19 3dnm h VAL 220 Ca 0.03 -0.36 -0.40 0.00 0.82 0.00 0.00 66.70 66.78 3dnm h VAL 220 Cb 0.66 -0.02 0.00 0.00 -1.52 0.00 0.00 31.29 30.42 3dnm h VAL 220 CO 0.04 0.19 -0.92 0.61 0.02 0.00 0.00 177.57 177.51 3dnm n GLY 221 N -1.41 -1.02 4.42 2.17 0.00 -1.03 -1.37 105.19 106.95 3dnm n GLY 221 Ca 0.11 0.52 0.00 0.00 0.00 0.00 0.00 46.02 46.65 3dnm n GLY 221 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3dnm n GLY 222 N -1.38 1.21 3.26 -0.02 0.00 -1.26 -4.96 105.19 102.03 3dnm n GLY 222 Ca -0.26 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.46 3dnm n GLY 222 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 3dnm n GLU 223 N 0.00 -2.07 -2.90 1.61 -0.58 -0.47 -4.92 120.64 111.30 3dnm n GLU 223 Ca 0.00 -0.59 -0.41 0.00 -0.42 0.00 0.00 57.16 55.74 3dnm n GLU 223 Cb 0.00 -1.74 -0.04 0.00 -0.57 0.00 0.00 31.44 29.09 3dnm n GLU 223 CO 0.00 0.00 0.00 0.34 -0.48 0.00 0.00 177.13 176.99 3dnm s ASP 224 N -2.00 6.99 0.45 1.62 2.15 -1.26 -4.95 116.67 119.67 3dnm s ASP 224 Ca 0.56 1.21 0.14 0.00 0.43 0.00 0.00 52.55 54.89 3dnm s ASP 224 Cb -0.13 -2.46 1.07 0.00 -0.30 0.00 0.00 42.92 41.11 3dnm s ASP 224 CO 0.61 -0.34 2.02 0.03 -0.17 0.00 0.00 175.17 177.32 3dnm h ARG 225 N 7.19 0.33 -0.61 4.34 3.08 -1.93 0.07 114.38 126.85 3dnm h ARG 225 Ca -0.32 -0.02 0.00 0.00 0.07 0.00 0.00 59.98 59.71 3dnm h ARG 225 Cb 1.15 -0.08 0.00 0.00 0.08 0.00 0.00 29.97 31.12 3dnm h ARG 225 CO 0.81 0.22 0.00 1.63 -1.07 0.00 0.00 179.97 181.56 3dnm n LYS 226 N -4.47 2.74 -1.87 0.04 5.02 -1.26 -4.13 118.16 114.23 3dnm n LYS 226 Ca 0.07 -1.74 -0.42 0.00 -2.02 0.00 0.00 58.31 54.20 3dnm n LYS 226 Cb 0.31 -1.68 -0.03 0.00 -0.02 0.00 0.00 35.03 33.60 3dnm n LYS 226 CO 0.00 0.00 0.00 1.21 -0.52 0.00 0.00 177.40 178.09 3dnm s ASN 227 N -0.70 6.57 0.35 4.39 3.04 0.01 -4.80 114.94 123.80 3dnm s ASN 227 Ca 0.31 2.48 0.16 0.00 0.04 0.00 0.00 52.86 55.85 3dnm s ASN 227 Cb 0.21 -2.55 1.13 0.00 -1.54 0.00 0.00 41.25 38.50 3dnm s ASN 227 CO 0.14 -0.95 1.66 1.55 -3.04 0.00 0.00 177.10 176.46 3dnm h PRO 228 N 9.31 0.29 0.00 0.43 0.13 -1.85 0.83 132.00 141.14 3dnm h PRO 228 Ca -0.44 -0.02 0.00 0.00 -0.87 0.00 0.00 66.00 64.68 3dnm h PRO 228 Cb 1.20 -0.07 0.00 0.00 0.13 0.00 0.00 31.00 32.27 3dnm h PRO 228 CO 0.94 0.19 0.00 -0.11 -0.23 0.00 0.00 178.00 178.79 3dnm n LEU 229 N -5.00 0.00 -0.09 1.56 7.94 -1.26 -2.02 117.00 118.13 3dnm n LEU 229 Ca 0.32 0.26 -0.15 0.00 -1.11 0.00 0.00 56.01 55.33 3dnm n LEU 229 Cb 1.03 -0.26 -0.08 0.00 0.53 0.00 0.00 43.42 44.64 3dnm n LEU 229 CO 0.11 -0.06 -1.09 -0.38 -1.11 0.00 0.00 177.39 174.86 3dnm n ILE 230 N -1.26 1.00 -3.73 1.96 5.41 0.27 -4.78 119.36 118.24 3dnm n ILE 230 Ca 0.12 -0.34 -0.28 0.00 1.00 0.00 0.00 62.75 63.24 3dnm n ILE 230 Cb 0.18 -1.32 -0.12 0.00 -0.71 0.00 0.00 39.64 37.67 3dnm n ILE 230 CO 0.00 0.00 0.00 -0.44 0.00 0.00 0.00 176.55 176.11 3dnm s SER 231 N -6.00 3.65 0.60 4.38 0.01 -0.32 -4.73 113.70 111.29 3dnm s SER 231 Ca -0.24 -3.29 0.28 0.00 1.31 0.00 0.00 55.95 54.01 3dnm s SER 231 Cb 0.07 -1.19 1.21 0.00 0.21 0.00 0.00 66.02 66.32 3dnm s SER 231 CO 0.38 -0.16 1.59 -0.65 0.41 0.00 0.00 173.24 174.80 3dnm h PRO 232 N 5.87 0.00 0.00 12.44 0.11 -1.34 -1.81 132.00 147.27 3dnm h PRO 232 Ca 0.12 0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.23 3dnm h PRO 232 Cb 0.85 0.00 0.00 0.00 0.11 0.00 0.00 31.00 31.96 3dnm h PRO 232 CO 0.57 0.00 0.00 1.55 -0.21 0.00 0.00 178.00 179.91 3dnm n VAL 233 N -3.46 0.20 -0.16 3.15 3.14 -1.20 0.05 118.33 120.05 3dnm n VAL 233 Ca 0.17 0.05 0.00 0.00 -2.96 0.00 0.00 64.34 61.60 3dnm n VAL 233 Cb 1.14 -1.05 0.00 0.00 -1.06 0.00 0.00 33.84 32.87 3dnm n VAL 233 CO 0.00 0.00 0.00 -1.22 -6.46 0.00 0.00 176.83 169.15 3dnm n TYR 234 N -1.04 0.00 -2.35 1.45 4.01 -0.68 -4.97 117.16 113.58 3dnm n TYR 234 Ca 0.00 -0.43 -0.17 0.00 -0.16 0.00 0.00 57.90 57.14 3dnm n TYR 234 Cb 0.00 -0.04 0.09 0.00 -0.31 0.00 0.00 39.34 39.08 3dnm n TYR 234 CO 0.00 0.00 0.00 0.00 -0.46 0.00 0.00 176.86 176.40 3dnm n ALA 235 N -0.43 -0.08 -3.31 -0.72 0.00 0.11 -4.73 120.51 111.34 3dnm n ALA 235 Ca 0.00 -1.34 -0.42 0.00 0.00 0.00 0.00 53.44 51.69 3dnm n ALA 235 Cb 0.29 0.17 -0.01 0.00 0.00 0.00 0.00 19.45 19.90 3dnm n ALA 235 CO 0.00 0.00 0.00 -3.47 0.00 0.00 0.00 177.50 174.03 3dnm n ASP 236 N -3.05 5.42 0.00 0.00 2.03 -1.26 -4.87 116.55 114.81 3dnm n ASP 236 Ca 0.12 -3.19 0.00 0.00 0.52 0.00 0.00 54.79 52.24 3dnm n ASP 236 Cb 0.41 -1.24 0.02 0.00 -0.72 0.00 0.00 41.12 39.59 3dnm n ASP 236 CO 0.00 0.00 0.00 0.18 -1.92 0.00 0.00 177.20 175.46 3dnm n LEU 237 N 2.11 0.00 -4.70 -2.67 4.77 -1.26 -4.80 117.00 110.45 3dnm n LEU 237 Ca 0.24 0.00 -0.36 0.00 -0.03 0.00 0.00 56.01 55.86 3dnm n LEU 237 Cb 0.37 0.00 0.08 0.00 -2.33 0.00 0.00 43.42 41.54 3dnm n LEU 237 CO 0.52 0.00 0.81 -1.20 -1.33 0.00 0.00 177.39 176.18 3dnm n SER 238 N -0.68 1.60 0.00 -1.43 7.64 -1.26 -3.15 113.62 116.33 3dnm n SER 238 Ca 0.01 0.76 0.00 0.00 1.01 0.00 0.00 58.87 60.65 3dnm n SER 238 Cb 0.00 -1.52 0.00 0.00 -1.01 0.00 0.00 64.21 61.68 3dnm n SER 238 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 3dnm n GLY 239 N 0.90 3.00 3.74 0.23 0.00 -1.26 -5.01 105.19 106.79 3dnm n GLY 239 Ca 0.15 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.84 3dnm n GLY 239 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 3dnm s LEU 240 N 0.00 3.32 0.89 0.99 1.43 -1.19 -4.98 118.68 119.15 3dnm s LEU 240 Ca 0.00 2.17 -0.13 0.00 -1.03 0.00 0.00 54.13 55.14 3dnm s LEU 240 Cb 0.00 -4.57 0.13 0.00 0.03 0.00 0.00 46.19 41.78 3dnm s LEU 240 CO 0.00 -2.00 1.18 -2.16 0.23 0.00 0.00 176.35 173.60 3dnm s PRO 241 N -4.05 1.26 0.49 1.29 0.04 -1.26 -4.78 135.00 127.99 3dnm s PRO 241 Ca 0.70 0.12 -0.22 0.00 0.04 0.00 0.00 61.00 61.63 3dnm s PRO 241 Cb -0.24 -1.87 -0.08 0.00 0.04 0.00 0.00 34.50 32.35 3dnm s PRO 241 CO 0.44 -2.08 1.09 0.39 0.04 0.00 0.00 177.00 176.88 3dnm n GLU 242 N -3.65 1.38 -4.15 4.56 1.02 -1.26 -4.67 120.64 113.87 3dnm n GLU 242 Ca 0.08 0.50 -0.18 0.00 -0.02 0.00 0.00 57.16 57.55 3dnm n GLU 242 Cb 0.60 -2.21 -0.15 0.00 -0.02 0.00 0.00 31.44 29.65 3dnm n GLU 242 CO 0.00 0.00 0.00 0.00 1.18 0.00 0.00 177.13 178.31 3dnm s MET 243 N -2.37 0.57 -0.13 3.49 0.23 -0.82 -0.50 119.30 119.77 3dnm s MET 243 Ca 0.67 -0.14 -0.04 0.00 -1.03 0.00 0.00 55.69 55.16 3dnm s MET 243 Cb -0.49 -0.58 -0.03 0.00 -1.53 0.00 0.00 34.83 32.19 3dnm s MET 243 CO 0.53 0.02 0.02 -1.17 -2.03 0.00 0.00 175.02 172.39 3dnm s LEU 244 N 0.36 3.61 -0.07 0.18 2.96 0.11 -1.66 118.68 124.18 3dnm s LEU 244 Ca -0.04 0.09 0.01 0.00 -0.22 0.00 0.00 54.13 53.97 3dnm s LEU 244 Cb -0.08 -1.86 0.02 0.00 0.50 0.00 0.00 46.19 44.77 3dnm s LEU 244 CO -0.00 0.29 -0.07 -0.63 -1.32 0.00 0.00 176.35 174.61 3dnm s ILE 245 N -0.32 0.80 0.05 6.68 1.01 0.17 -1.15 121.20 128.44 3dnm s ILE 245 Ca 0.07 -0.24 0.08 0.00 0.00 0.00 0.00 60.65 60.56 3dnm s ILE 245 Cb -0.12 -0.80 -0.03 0.00 0.01 0.00 0.00 42.46 41.52 3dnm s ILE 245 CO 0.02 0.30 -0.21 -1.00 0.00 0.00 0.00 174.94 174.04 3dnm s HIS 246 N 1.10 2.47 -0.07 3.97 3.76 -0.64 -0.86 115.29 125.03 3dnm s HIS 246 Ca -0.07 -0.31 -0.24 0.00 -0.15 0.00 0.00 55.06 54.29 3dnm s HIS 246 Cb -0.14 -1.43 0.05 0.00 1.11 0.00 0.00 32.58 32.17 3dnm s HIS 246 CO -0.01 0.22 0.54 0.54 -0.85 0.00 0.00 174.74 175.18 3dnm s VAL 247 N -0.90 0.02 0.61 -0.90 0.11 -0.59 -0.37 120.40 118.37 3dnm s VAL 247 Ca 0.14 -0.15 -0.06 0.00 -2.93 0.00 0.00 61.98 58.97 3dnm s VAL 247 Cb -0.10 -0.84 0.02 0.00 -1.53 0.00 0.00 36.38 33.93 3dnm s VAL 247 CO 0.04 -0.09 0.93 -0.83 -3.33 0.00 0.00 175.10 171.83 3dnm s GLY 248 N -0.97 1.62 0.07 6.54 0.00 -1.26 -0.33 107.32 112.98 3dnm s GLY 248 Ca -0.10 -0.70 -0.04 0.00 0.00 0.00 0.00 44.72 43.89 3dnm s GLY 248 CO 0.06 -0.40 1.10 1.48 0.00 0.00 0.00 173.10 175.35 3dnm h SER 249 N -0.26 0.40 -0.14 1.64 4.64 -0.78 -3.36 113.55 115.69 3dnm h SER 249 Ca -0.45 -0.45 -0.67 0.00 -0.47 0.00 0.00 61.79 59.75 3dnm h SER 249 Cb 1.26 -0.13 0.01 0.00 -0.31 0.00 0.00 62.40 63.23 3dnm h SER 249 CO 0.61 1.35 3.64 -0.62 -0.87 0.00 0.00 176.83 180.94 3dnm n GLU 250 N -3.51 3.79 -4.17 4.77 -0.58 -0.62 -4.87 120.64 115.45 3dnm n GLU 250 Ca -0.09 -2.33 -0.19 0.00 -0.42 0.00 0.00 57.16 54.12 3dnm n GLU 250 Cb 1.02 -2.77 -0.16 0.00 -0.57 0.00 0.00 31.44 28.96 3dnm n GLU 250 CO 0.00 0.00 0.00 -1.21 -0.48 0.00 0.00 177.13 175.44 3dnm s GLU 251 N 1.76 0.79 0.32 3.49 2.02 -1.26 -4.10 118.70 121.72 3dnm s GLU 251 Ca 0.68 -0.11 0.09 0.00 0.02 0.00 0.00 54.97 55.64 3dnm s GLU 251 Cb 0.18 -0.79 0.56 0.00 0.10 0.00 0.00 34.13 34.18 3dnm s GLU 251 CO -0.06 -0.06 1.76 0.00 0.02 0.00 0.00 175.26 176.91 3dnm h ALA 252 N 7.05 1.22 -0.22 5.21 0.00 -1.80 -1.95 119.26 128.77 3dnm h ALA 252 Ca -0.38 -0.37 0.00 0.00 0.00 0.00 0.00 54.91 54.16 3dnm h ALA 252 Cb 1.16 -0.08 0.00 0.00 0.00 0.00 0.00 17.79 18.86 3dnm h ALA 252 CO 0.48 0.54 0.00 1.28 0.00 0.00 0.00 179.25 181.55 3dnm n LEU 253 N -4.06 1.80 -0.20 0.00 4.77 -1.26 -1.74 117.00 116.31 3dnm n LEU 253 Ca -0.01 -0.91 -0.01 0.00 -0.03 0.00 0.00 56.01 55.05 3dnm n LEU 253 Cb 0.44 -0.32 0.09 0.00 -2.33 0.00 0.00 43.42 41.30 3dnm n LEU 253 CO 0.41 0.34 1.02 0.25 -1.33 0.00 0.00 177.39 178.08 3dnm h LEU 254 N 1.38 0.33 -1.22 2.23 5.85 -1.68 -0.76 115.31 121.44 3dnm h LEU 254 Ca 0.00 0.05 0.00 0.00 0.84 0.00 0.00 57.88 58.77 3dnm h LEU 254 Cb 0.59 0.00 0.00 0.00 0.37 0.00 0.00 40.66 41.62 3dnm h LEU 254 CO 0.06 0.21 0.00 0.28 -0.34 0.00 0.00 178.44 178.66 3dnm h SER 255 N 0.49 0.00 -0.14 1.25 0.02 -1.83 -1.69 113.55 111.65 3dnm h SER 255 Ca 0.28 0.00 -0.17 0.00 -0.84 0.00 0.00 61.79 61.06 3dnm h SER 255 Cb 0.28 0.00 0.01 0.00 0.14 0.00 0.00 62.40 62.82 3dnm h SER 255 CO -0.24 0.00 -0.59 0.44 -1.14 0.00 0.00 176.83 175.30 3dnm h ASP 256 N 0.00 0.77 -0.27 3.07 3.45 -1.43 0.45 116.42 122.46 3dnm h ASP 256 Ca 0.00 -0.62 -0.09 0.00 0.43 0.00 0.00 57.03 56.75 3dnm h ASP 256 Cb 0.17 -0.23 -0.02 0.00 -0.56 0.00 0.00 39.33 38.69 3dnm h ASP 256 CO 0.00 1.26 -0.14 0.28 -1.57 0.00 0.00 179.24 179.07 3dnm h SER 257 N 0.32 0.68 0.19 6.45 0.02 -1.29 0.54 113.55 120.47 3dnm h SER 257 Ca -0.03 -0.20 -0.29 0.00 -0.84 0.00 0.00 61.79 60.42 3dnm h SER 257 Cb 1.22 -0.18 0.02 0.00 0.14 0.00 0.00 62.40 63.60 3dnm h SER 257 CO 0.12 0.84 -1.34 0.71 -1.14 0.00 0.00 176.83 176.02 3dnm h THR 258 N 0.62 1.25 -0.28 -2.27 1.35 -1.49 -3.02 112.91 109.07 3dnm h THR 258 Ca 0.10 -2.58 -0.12 0.00 -0.55 0.00 0.00 66.41 63.27 3dnm h THR 258 Cb 0.59 2.99 -0.01 0.00 -1.73 0.00 0.00 68.15 69.99 3dnm h THR 258 CO 0.04 0.78 -0.31 0.74 -0.25 0.00 0.00 175.52 176.52 3dnm h THR 259 N -0.07 1.28 0.00 6.82 2.02 -0.85 -0.26 112.91 121.85 3dnm h THR 259 Ca -0.25 -1.41 -0.09 0.00 0.77 0.00 0.00 66.41 65.43 3dnm h THR 259 Cb 1.96 1.40 -0.01 0.00 -1.74 0.00 0.00 68.15 69.75 3dnm h THR 259 CO 0.19 0.45 -0.44 0.25 0.37 0.00 0.00 175.52 176.34 3dnm h LEU 260 N 0.50 0.00 -0.21 2.58 7.12 -1.02 -1.52 115.31 122.76 3dnm h LEU 260 Ca 0.06 0.00 -0.22 0.00 0.13 0.00 0.00 57.88 57.85 3dnm h LEU 260 Cb 0.78 0.00 0.01 0.00 -0.53 0.00 0.00 40.66 40.92 3dnm h LEU 260 CO 0.06 0.44 -0.85 0.00 -0.13 0.00 0.00 178.44 177.97 3dnm h ALA 261 N 1.56 0.39 0.46 1.25 0.00 -1.31 -1.18 119.26 120.42 3dnm h ALA 261 Ca -0.00 -0.65 -0.02 0.00 0.00 0.00 0.00 54.91 54.24 3dnm h ALA 261 Cb 1.00 -0.02 0.00 0.00 0.00 0.00 0.00 17.79 18.78 3dnm h ALA 261 CO 0.06 0.75 -0.22 1.49 0.00 0.00 0.00 179.25 181.32 3dnm h GLU 262 N 0.35 -0.59 0.51 0.00 4.81 -0.78 0.15 114.58 119.03 3dnm h GLU 262 Ca -0.07 0.04 -0.02 0.00 -0.13 0.00 0.00 59.36 59.18 3dnm h GLU 262 Cb 1.47 0.13 0.00 0.00 0.63 0.00 0.00 28.75 30.99 3dnm h GLU 262 CO 0.16 -0.30 -0.24 0.00 -0.73 0.00 0.00 179.01 177.90 3dnm h ARG 263 N -0.84 -0.66 -0.88 1.92 2.47 -1.35 0.51 114.38 115.56 3dnm h ARG 263 Ca -0.06 0.04 0.12 0.00 -1.26 0.00 0.00 59.98 58.82 3dnm h ARG 263 Cb 0.56 0.15 -0.07 0.00 -1.65 0.00 0.00 29.97 28.97 3dnm h ARG 263 CO 0.10 -0.39 0.57 0.00 0.56 0.00 0.00 179.97 180.81 3dnm h ALA 264 N -0.35 1.74 0.72 0.04 0.00 -1.30 1.37 119.26 121.48 3dnm h ALA 264 Ca -0.07 0.01 -0.03 0.00 0.00 0.00 0.00 54.91 54.81 3dnm h ALA 264 Cb 0.57 -0.16 0.00 0.00 0.00 0.00 0.00 17.79 18.20 3dnm h ALA 264 CO 0.11 0.05 -0.41 0.78 0.00 0.00 0.00 179.25 179.79 3dnm h GLY 265 N 0.78 -1.19 2.00 0.00 0.00 -0.02 0.96 103.07 105.60 3dnm h GLY 265 Ca 0.42 0.47 0.00 0.00 0.00 0.00 0.00 47.33 48.23 3dnm h GLY 265 CO -0.19 -0.41 0.00 0.00 0.00 0.00 0.00 176.54 175.94 3dnm h ALA 266 N -1.35 1.00 0.00 3.60 0.00 0.11 0.11 119.26 122.74 3dnm h ALA 266 Ca -0.10 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.81 3dnm h ALA 266 Cb 0.83 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.62 3dnm h ALA 266 CO 0.12 0.00 0.00 0.00 0.00 0.00 0.00 179.25 179.37 3dnm n ALA 267 N -2.02 2.16 -0.15 0.00 0.00 0.46 -4.88 120.51 116.08 3dnm n ALA 267 Ca -0.01 -0.09 0.00 0.00 0.00 0.00 0.00 53.44 53.34 3dnm n ALA 267 Cb 0.16 -1.40 0.00 0.00 0.00 0.00 0.00 19.45 18.21 3dnm n ALA 267 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3dnm n GLY 268 N 1.00 0.93 3.90 0.00 0.00 0.38 -4.30 105.19 107.08 3dnm n GLY 268 Ca 0.07 -0.01 -0.29 0.00 0.00 0.00 0.00 46.02 45.79 3dnm n GLY 268 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 3dnm s VAL 269 N -2.00 4.99 0.01 1.61 1.01 0.25 -4.91 120.40 121.36 3dnm s VAL 269 Ca 0.00 0.16 -0.25 0.00 0.00 0.00 0.00 61.98 61.89 3dnm s VAL 269 Cb 0.00 -3.72 -0.05 0.00 0.00 0.00 0.00 36.38 32.61 3dnm s VAL 269 CO 0.00 -0.33 0.77 -0.55 0.00 0.00 0.00 175.10 174.99 3dnm s SER 270 N -3.10 7.17 -0.00 3.32 0.15 -1.26 -4.36 113.70 115.62 3dnm s SER 270 Ca 0.45 1.40 0.00 0.00 0.70 0.00 0.00 55.95 58.51 3dnm s SER 270 Cb -0.11 -2.46 -0.00 0.00 -1.71 0.00 0.00 66.02 61.74 3dnm s SER 270 CO 0.29 -0.04 -0.01 -0.69 1.20 0.00 0.00 173.24 173.99 3dnm s VAL 271 N 0.26 0.12 -0.13 4.45 1.01 -1.26 -1.95 120.40 122.90 3dnm s VAL 271 Ca 0.40 -0.06 -0.00 0.00 0.00 0.00 0.00 61.98 62.31 3dnm s VAL 271 Cb -0.20 -0.11 0.03 0.00 0.00 0.00 0.00 36.38 36.10 3dnm s VAL 271 CO 0.22 0.03 -0.08 -1.61 0.00 0.00 0.00 175.10 173.67 3dnm s GLU 272 N -0.01 1.59 -0.07 2.72 2.02 -0.66 -5.01 118.70 119.28 3dnm s GLU 272 Ca 0.00 -0.33 0.04 0.00 0.02 0.00 0.00 54.97 54.70 3dnm s GLU 272 Cb -0.01 -1.71 -0.02 0.00 0.10 0.00 0.00 34.13 32.49 3dnm s GLU 272 CO -0.00 -0.29 -0.18 -1.17 0.02 0.00 0.00 175.26 173.64 3dnm s LEU 273 N 1.68 2.51 -0.06 1.80 0.20 -1.26 0.46 118.68 124.00 3dnm s LEU 273 Ca 0.04 -0.32 0.00 0.00 0.69 0.00 0.00 54.13 54.54 3dnm s LEU 273 Cb -0.13 -1.50 0.02 0.00 -0.43 0.00 0.00 46.19 44.15 3dnm s LEU 273 CO -0.08 0.28 -0.05 -0.75 -0.29 0.00 0.00 176.35 175.46 3dnm s LYS 274 N -0.36 0.96 -0.32 1.98 2.20 -0.04 -4.98 119.74 119.19 3dnm s LYS 274 Ca 0.03 -0.10 -0.07 0.00 -0.36 0.00 0.00 55.97 55.47 3dnm s LYS 274 Cb -0.12 -1.04 0.02 0.00 -1.51 0.00 0.00 37.83 35.18 3dnm s LYS 274 CO 0.02 -0.15 0.10 0.42 -0.36 0.00 0.00 175.35 175.38 3dnm s ILE 275 N 1.28 3.94 -0.32 5.43 1.01 -1.26 -1.55 121.20 129.73 3dnm s ILE 275 Ca -0.05 -0.90 -0.21 0.00 0.00 0.00 0.00 60.65 59.49 3dnm s ILE 275 Cb -0.14 -3.13 -0.00 0.00 0.01 0.00 0.00 42.46 39.20 3dnm s ILE 275 CO -0.02 -0.06 0.69 0.26 0.00 0.00 0.00 174.94 175.81 3dnm s TRP 276 N 1.46 3.19 0.55 3.97 0.52 0.55 -4.89 118.94 124.29 3dnm s TRP 276 Ca 0.01 0.61 -0.20 0.00 0.02 0.00 0.00 56.10 56.54 3dnm s TRP 276 Cb -0.18 -3.11 -0.08 0.00 -1.15 0.00 0.00 33.47 28.95 3dnm s TRP 276 CO 0.03 -0.54 0.77 -2.30 0.02 0.00 0.00 176.95 174.93 3dnm n PRO 277 N 6.04 0.80 -0.95 4.98 -0.02 -1.26 -1.77 135.00 142.81 3dnm n PRO 277 Ca 0.01 0.30 -0.05 0.00 -2.02 0.00 0.00 63.50 61.74 3dnm n PRO 277 Cb 0.49 -1.92 -0.02 0.00 -0.02 0.00 0.00 33.50 32.03 3dnm n PRO 277 CO 0.00 0.00 0.00 -0.25 1.98 0.00 0.00 175.50 177.23 3dnm n ASP 278 N 0.09 -1.84 -4.88 2.55 8.00 -1.26 -4.76 116.55 114.45 3dnm n ASP 278 Ca 0.12 0.12 -0.36 0.00 0.71 0.00 0.00 54.79 55.38 3dnm n ASP 278 Cb 0.45 -1.79 -0.06 0.00 -0.02 0.00 0.00 41.12 39.70 3dnm n ASP 278 CO 0.00 0.00 0.00 -0.04 -0.39 0.00 0.00 177.20 176.77 3dnm s MET 279 N -2.03 3.54 0.78 -1.24 -1.94 -1.09 -4.67 119.30 112.66 3dnm s MET 279 Ca 0.00 -0.06 -0.07 0.00 -1.71 0.00 0.00 55.69 53.85 3dnm s MET 279 Cb 0.00 -3.16 0.17 0.00 2.01 0.00 0.00 34.83 33.84 3dnm s MET 279 CO 0.00 0.73 1.06 -0.35 -0.01 0.00 0.00 175.02 176.46 3dnm n PRO 280 N 1.69 -0.56 -1.68 2.03 -0.04 -1.26 -1.58 135.00 133.60 3dnm n PRO 280 Ca -0.17 -2.27 -0.47 0.00 -0.04 0.00 0.00 63.50 60.56 3dnm n PRO 280 Cb 0.54 -0.90 -0.04 0.00 -0.04 0.00 0.00 33.50 33.05 3dnm n PRO 280 CO 0.00 0.00 0.00 1.58 -0.04 0.00 0.00 175.50 177.04 3dnm n HIS 281 N -3.17 2.37 -3.67 0.54 -0.00 -1.26 -2.47 115.22 107.56 3dnm n HIS 281 Ca 0.15 0.00 -0.27 0.00 -0.00 0.00 0.00 57.72 57.60 3dnm n HIS 281 Cb 0.55 -2.66 0.04 0.00 -0.00 0.00 0.00 29.99 27.91 3dnm n HIS 281 CO 0.00 0.00 0.00 0.28 -0.00 0.00 0.00 176.34 176.62 3dnm n VAL 282 N 4.74 -5.64 0.31 3.57 0.31 -1.26 -4.86 118.33 115.50 3dnm n VAL 282 Ca 0.21 -0.87 0.20 0.00 -0.01 0.00 0.00 64.34 63.86 3dnm n VAL 282 Cb 0.31 -4.28 0.99 0.00 -0.91 0.00 0.00 33.84 29.96 3dnm n VAL 282 CO 0.00 0.00 0.00 2.19 -1.32 0.00 0.00 176.83 177.70 3dnm h PHE 283 N -1.80 0.00 0.00 3.52 -5.15 -1.86 -2.76 116.94 108.90 3dnm h PHE 283 Ca -0.65 0.00 0.00 0.00 -0.20 0.00 0.00 57.97 57.12 3dnm h PHE 283 Cb 1.36 0.00 0.00 0.00 0.22 0.00 0.00 35.95 37.53 3dnm h PHE 283 CO 0.37 0.02 0.02 1.04 -2.00 0.00 0.00 178.31 177.75 3dnm n GLN 284 N -3.19 0.00 0.10 6.09 3.00 -1.26 -0.40 117.38 121.72 3dnm n GLN 284 Ca -0.02 0.27 0.10 0.00 -0.01 0.00 0.00 57.00 57.34 3dnm n GLN 284 Cb 0.16 -1.52 0.00 0.00 0.00 0.00 0.00 30.24 28.89 3dnm n GLN 284 CO 0.00 0.00 0.00 0.52 0.00 0.00 0.00 177.06 177.58 3dnm h MET 285 N 0.00 0.00 -0.90 -1.09 2.86 -1.85 -3.38 114.93 110.57 3dnm h MET 285 Ca 0.00 0.00 -0.61 0.00 -2.06 0.00 0.00 59.70 57.03 3dnm h MET 285 Cb 0.03 0.00 -0.31 0.00 0.06 0.00 0.00 31.60 31.38 3dnm h MET 285 CO 0.00 0.04 0.41 0.66 1.06 0.00 0.00 176.91 179.07 3dnm n TYR 286 N -2.73 2.98 -0.31 -0.22 4.02 0.47 -4.61 117.16 116.75 3dnm n TYR 286 Ca -0.01 -2.66 0.12 0.00 -0.01 0.00 0.00 57.90 55.34 3dnm n TYR 286 Cb 0.58 -1.10 0.34 0.00 -0.02 0.00 0.00 39.34 39.14 3dnm n TYR 286 CO 0.00 0.00 0.00 0.78 -1.01 0.00 0.00 176.86 176.63 3dnm h GLY 287 N 1.90 1.43 -0.89 2.72 0.00 -1.74 0.14 103.07 106.63 3dnm h GLY 287 Ca 0.53 -0.34 0.40 0.00 0.00 0.00 0.00 47.33 47.92 3dnm h GLY 287 CO 1.29 0.06 0.63 1.70 0.00 0.00 0.00 176.54 180.22 3dnm h LYS 288 N 0.77 0.11 0.00 4.80 3.64 -1.95 -3.24 116.57 120.70 3dnm h LYS 288 Ca 0.50 -0.01 -0.14 0.00 -1.27 0.00 0.00 60.65 59.73 3dnm h LYS 288 Cb 0.75 -0.03 -0.03 0.00 -0.41 0.00 0.00 32.23 32.52 3dnm h LYS 288 CO -0.26 0.08 -1.53 1.19 -2.27 0.00 0.00 179.45 176.65 3dnm n PHE 289 N -5.06 0.00 -4.16 1.91 3.01 -0.07 -4.86 117.46 108.23 3dnm n PHE 289 Ca 0.36 0.00 -0.34 0.00 1.01 0.00 0.00 57.45 58.48 3dnm n PHE 289 Cb 1.24 -0.36 -0.11 0.00 -0.01 0.00 0.00 39.48 40.24 3dnm n PHE 289 CO 0.00 0.00 0.00 0.14 1.01 0.00 0.00 176.76 177.91 3dnm s VAL 290 N -2.19 4.35 0.20 -4.37 -7.23 -0.56 0.38 120.40 110.98 3dnm s VAL 290 Ca -0.13 -0.19 -0.11 0.00 -1.81 0.00 0.00 61.98 59.74 3dnm s VAL 290 Cb 0.03 -2.95 0.13 0.00 0.56 0.00 0.00 36.38 34.16 3dnm s VAL 290 CO 0.21 0.46 1.72 -1.13 -0.31 0.00 0.00 175.10 176.06 3dnm h ASN 291 N 6.83 0.08 -1.03 4.85 -1.24 -1.83 -2.32 115.58 120.92 3dnm h ASN 291 Ca -0.35 0.09 0.26 0.00 0.71 0.00 0.00 56.30 57.01 3dnm h ASN 291 Cb 1.18 0.10 -0.09 0.00 0.73 0.00 0.00 38.32 40.24 3dnm h ASN 291 CO 0.66 0.06 0.66 0.00 -1.29 0.00 0.00 177.43 177.52 3dnm h ALA 292 N 1.41 2.22 -0.80 1.57 0.00 -1.95 0.20 119.26 121.91 3dnm h ALA 292 Ca 0.28 0.06 0.19 0.00 0.00 0.00 0.00 54.91 55.44 3dnm h ALA 292 Cb 0.37 0.02 -0.13 0.00 0.00 0.00 0.00 17.79 18.04 3dnm h ALA 292 CO -0.33 -0.61 0.09 0.00 0.00 0.00 0.00 179.25 178.40 3dnm h ALA 293 N 1.62 0.97 -0.04 0.00 0.00 -1.67 0.24 119.26 120.38 3dnm h ALA 293 Ca 0.58 0.23 -0.04 0.00 0.00 0.00 0.00 54.91 55.68 3dnm h ALA 293 Cb 1.46 0.38 0.00 0.00 0.00 0.00 0.00 17.79 19.63 3dnm h ALA 293 CO -0.28 -0.43 -0.15 -0.44 0.00 0.00 0.00 179.25 177.94 3dnm h ASP 294 N 0.15 0.20 -0.57 0.00 3.45 -0.76 -2.69 116.42 116.20 3dnm h ASP 294 Ca 0.46 -0.64 0.10 0.00 0.43 0.00 0.00 57.03 57.38 3dnm h ASP 294 Cb 0.86 -0.06 -0.08 0.00 -0.56 0.00 0.00 39.33 39.50 3dnm h ASP 294 CO -0.66 0.81 0.15 0.40 -1.57 0.00 0.00 179.24 178.36 3dnm h ILE 295 N -0.40 0.70 0.35 0.35 1.08 -0.94 -0.28 117.51 118.37 3dnm h ILE 295 Ca -0.01 -0.10 -0.01 0.00 -0.39 0.00 0.00 64.86 64.35 3dnm h ILE 295 Cb 0.80 0.38 -0.00 0.00 -3.07 0.00 0.00 36.82 34.93 3dnm h ILE 295 CO 0.03 0.05 -0.19 -1.28 -0.69 0.00 0.00 178.15 176.08 3dnm h SER 296 N 0.29 -0.46 -0.38 1.72 0.87 -0.62 0.11 113.55 115.08 3dnm h SER 296 Ca 0.29 0.02 0.08 0.00 -1.23 0.00 0.00 61.79 60.96 3dnm h SER 296 Cb 0.40 0.13 -0.08 0.00 -0.44 0.00 0.00 62.40 62.41 3dnm h SER 296 CO -0.35 -0.31 -0.17 0.40 -0.53 0.00 0.00 176.83 175.86 3dnm h ILE 297 N -0.50 0.46 -0.62 2.23 1.08 -1.08 0.82 117.51 119.90 3dnm h ILE 297 Ca -0.04 0.00 0.06 0.00 -0.39 0.00 0.00 64.86 64.49 3dnm h ILE 297 Cb 0.40 0.46 -0.05 0.00 -3.07 0.00 0.00 36.82 34.56 3dnm h ILE 297 CO 0.06 0.00 0.33 0.50 -0.69 0.00 0.00 178.15 178.35 3dnm h LYS 298 N -0.11 0.59 -0.26 2.37 1.63 -0.82 0.19 116.57 120.17 3dnm h LYS 298 Ca 0.19 -0.04 -0.13 0.00 -0.85 0.00 0.00 60.65 59.82 3dnm h LYS 298 Cb 0.40 -0.13 -0.01 0.00 -0.60 0.00 0.00 32.23 31.88 3dnm h LYS 298 CO -0.45 0.39 -0.39 0.93 -3.45 0.00 0.00 179.45 176.48 3dnm h GLU 299 N 0.61 0.61 -0.45 1.90 5.08 0.76 -0.83 114.58 122.25 3dnm h GLU 299 Ca 0.28 -0.30 -0.06 0.00 -1.00 0.00 0.00 59.36 58.27 3dnm h GLU 299 Cb 0.20 0.00 -0.02 0.00 0.50 0.00 0.00 28.75 29.43 3dnm h GLU 299 CO -0.19 0.89 0.02 0.82 -1.00 0.00 0.00 179.01 179.55 3dnm h ILE 300 N 0.50 1.23 0.09 3.13 2.04 0.15 -1.88 117.51 122.76 3dnm h ILE 300 Ca 0.05 -0.92 -0.29 0.00 1.00 0.00 0.00 64.86 64.70 3dnm h ILE 300 Cb 0.89 0.87 0.03 0.00 -0.74 0.00 0.00 36.82 37.87 3dnm h ILE 300 CO 0.08 0.33 -1.18 0.00 0.00 0.00 0.00 178.15 177.37 3dnm h HIS 302 N 0.30 0.99 0.48 0.00 -0.00 -1.03 -1.53 115.15 114.36 3dnm h HIS 302 Ca -0.17 0.03 -0.02 0.00 -0.00 0.00 0.00 60.37 60.20 3dnm h HIS 302 Cb 1.85 -0.33 0.00 0.00 -0.00 0.00 0.00 27.41 28.94 3dnm h HIS 302 CO 0.11 0.53 -0.23 2.35 -0.00 0.00 0.00 177.93 180.69 3dnm h TRP 303 N 0.99 -0.60 0.05 5.26 7.01 -1.23 -2.63 115.95 124.80 3dnm h TRP 303 Ca 0.36 -0.01 0.01 0.00 2.11 0.00 0.00 58.89 61.36 3dnm h TRP 303 Cb 0.17 0.20 -0.02 0.00 -2.10 0.00 0.00 29.16 27.41 3dnm h TRP 303 CO -0.00 -0.28 -0.23 0.82 -2.79 0.00 0.00 178.44 175.96 3dnm h ILE 304 N -0.88 0.00 -0.87 2.65 2.04 -0.59 -2.57 117.51 117.28 3dnm h ILE 304 Ca -0.07 0.00 0.19 0.00 1.00 0.00 0.00 64.86 65.98 3dnm h ILE 304 Cb 0.59 0.00 -0.06 0.00 -0.74 0.00 0.00 36.82 36.60 3dnm h ILE 304 CO 0.11 0.00 0.58 0.77 0.00 0.00 0.00 178.15 179.60 3dnm h SER 305 N -0.32 0.43 -0.25 1.72 4.64 -1.41 0.23 113.55 118.59 3dnm h SER 305 Ca -0.00 0.04 -0.04 0.00 -0.47 0.00 0.00 61.79 61.32 3dnm h SER 305 Cb 0.32 -0.04 -0.02 0.00 -0.31 0.00 0.00 62.40 62.35 3dnm h SER 305 CO -0.12 0.19 0.04 0.00 -0.87 0.00 0.00 176.83 176.06 3dnm h ALA 306 N 1.62 1.43 -0.09 5.18 0.00 -1.14 -2.69 119.26 123.58 3dnm h ALA 306 Ca 0.45 -0.17 -0.05 0.00 0.00 0.00 0.00 54.91 55.14 3dnm h ALA 306 Cb 1.06 -0.15 -0.00 0.00 0.00 0.00 0.00 17.79 18.70 3dnm h ALA 306 CO -0.17 0.41 -0.13 0.00 0.00 0.00 0.00 179.25 179.35 3dnm h ARG 307 N 0.50 0.25 -3.33 0.00 2.47 -0.20 -3.19 114.38 110.88 3dnm h ARG 307 Ca 0.11 -0.15 -0.69 0.00 -1.26 0.00 0.00 59.98 57.99 3dnm h ARG 307 Cb 0.26 0.01 -0.02 0.00 -1.65 0.00 0.00 29.97 28.58 3dnm h ARG 307 CO 0.00 0.72 3.39 -0.89 0.56 0.00 0.00 179.97 183.75 3dnm n ILE 308 N -4.61 4.11 -0.53 2.04 5.41 -0.74 -5.05 119.36 119.99 3dnm n ILE 308 Ca -0.07 -2.99 0.00 0.00 1.00 0.00 0.00 62.75 60.69 3dnm n ILE 308 Cb 0.36 -2.55 0.00 0.00 -0.71 0.00 0.00 39.64 36.74 3dnm n ILE 308 CO 0.00 0.00 0.00 -0.24 0.00 0.00 0.00 176.55 176.31