#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3men s MET 1 N 0.00 0.72 0.25 1.43 0.00 -1.26 -5.04 119.30 115.40 3men s MET 1 Ca 0.00 -0.78 -0.31 0.00 0.00 0.00 0.00 55.69 54.59 3men s MET 1 Cb 0.00 0.29 -0.13 0.00 0.00 0.00 0.00 34.83 35.00 3men s MET 1 CO 0.00 -0.21 1.52 1.28 0.00 0.00 0.00 175.02 177.61 3men n LEU 2 N 0.43 3.61 -4.18 0.18 4.77 -1.26 -4.11 117.00 116.43 3men n LEU 2 Ca -0.17 1.13 -0.33 0.00 -0.03 0.00 0.00 56.01 56.61 3men n LEU 2 Cb 0.60 -1.50 -0.16 0.00 -2.33 0.00 0.00 43.42 40.03 3men n LEU 2 CO 0.23 -0.19 -0.53 -0.89 -1.33 0.00 0.00 177.39 174.68 3men s THR 3 N 0.18 2.21 -0.15 -5.08 2.01 -0.60 -0.89 115.64 113.32 3men s THR 3 Ca 0.69 -0.92 -0.04 0.00 0.31 0.00 0.00 61.69 61.72 3men s THR 3 Cb -0.59 -1.90 -0.03 0.00 0.01 0.00 0.00 72.50 69.99 3men s THR 3 CO 0.46 0.54 0.00 -0.31 -0.69 0.00 0.00 174.62 174.63 3men s TYR 4 N 0.90 3.13 -0.21 4.92 2.02 -0.39 -0.71 117.35 127.01 3men s TYR 4 Ca -0.05 -0.05 -0.15 0.00 -0.37 0.00 0.00 57.07 56.45 3men s TYR 4 Cb -0.15 -1.95 0.06 0.00 -0.40 0.00 0.00 41.96 39.52 3men s TYR 4 CO -0.03 0.16 0.53 0.12 -1.57 0.00 0.00 175.55 174.75 3men s PHE 5 N 0.04 -0.68 -0.12 2.71 5.36 -0.78 -1.31 117.98 123.19 3men s PHE 5 Ca 0.02 1.53 -0.01 0.00 -0.96 0.00 0.00 56.93 57.51 3men s PHE 5 Cb -0.13 0.30 -0.02 0.00 -0.34 0.00 0.00 43.02 42.83 3men s PHE 5 CO 0.02 -0.35 -0.10 -1.58 -1.46 0.00 0.00 175.22 171.75 3men s HIS 6 N 0.85 2.88 0.61 10.12 5.65 -1.26 -3.78 115.29 130.36 3men s HIS 6 Ca -0.05 -0.42 0.33 0.00 0.25 0.00 0.00 55.06 55.17 3men s HIS 6 Cb -0.05 -1.84 1.97 0.00 -1.18 0.00 0.00 32.58 31.48 3men s HIS 6 CO -0.07 -0.06 2.29 -1.00 -0.65 0.00 0.00 174.74 175.24 3men h PRO 7 N 6.41 0.00 0.00 2.88 0.13 -1.98 -0.67 132.00 138.77 3men h PRO 7 Ca -0.32 0.00 -0.00 0.00 -0.87 0.00 0.00 66.00 64.81 3men h PRO 7 Cb 1.20 0.00 -0.00 0.00 0.13 0.00 0.00 31.00 32.33 3men h PRO 7 CO 0.57 0.00 -0.01 -0.44 -0.23 0.00 0.00 178.00 177.89 3men h ASP 8 N 0.00 0.00 -0.07 1.44 5.19 -1.95 -1.88 116.42 119.15 3men h ASP 8 Ca -0.00 0.00 0.02 0.00 -0.62 0.00 0.00 57.03 56.43 3men h ASP 8 Cb 0.00 0.00 -0.00 0.00 0.18 0.00 0.00 39.33 39.51 3men h ASP 8 CO 0.00 0.01 0.05 1.56 -3.12 0.00 0.00 179.24 177.74 3men h GLN 9 N 0.00 0.00 0.00 3.56 4.20 -1.36 -1.89 115.11 119.61 3men h GLN 9 Ca -0.00 0.00 0.00 0.00 0.06 0.00 0.00 58.65 58.71 3men h GLN 9 Cb 0.05 0.00 0.00 0.00 0.30 0.00 0.00 27.48 27.83 3men h GLN 9 CO 0.00 0.00 0.00 0.43 -0.67 0.00 0.00 178.83 178.59 3men n SER 10 N -4.40 0.45 0.20 1.46 7.64 -0.71 -3.75 113.62 114.51 3men n SER 10 Ca -0.01 0.59 0.08 0.00 1.01 0.00 0.00 58.87 60.54 3men n SER 10 Cb 0.16 -0.70 0.35 0.00 -1.01 0.00 0.00 64.21 63.01 3men n SER 10 CO 0.00 0.00 0.00 -0.07 -3.01 0.00 0.00 175.04 171.96 3men h LEU 11 N 0.00 0.00 -9.17 -3.43 3.38 -1.51 -3.43 115.31 101.15 3men h LEU 11 Ca 0.00 0.00 -0.57 0.00 0.09 0.00 0.00 57.88 57.40 3men h LEU 11 Cb 0.40 0.00 -0.04 0.00 0.09 0.00 0.00 40.66 41.10 3men h LEU 11 CO 0.00 0.29 0.79 -2.28 0.09 0.00 0.00 178.44 177.32 3men s HIS 12 N -3.49 3.16 -0.49 1.13 2.46 -1.25 -4.71 115.29 112.10 3men s HIS 12 Ca 0.01 1.28 0.06 0.00 0.47 0.00 0.00 55.06 56.89 3men s HIS 12 Cb 0.10 -3.37 0.23 0.00 -0.13 0.00 0.00 32.58 29.41 3men s HIS 12 CO 0.66 -1.01 0.86 -2.39 -2.47 0.00 0.00 174.74 170.39 3men n HIS 13 N 6.06 -3.41 -1.73 3.88 1.44 -1.26 -4.53 115.22 115.66 3men n HIS 13 Ca 0.12 -1.70 -0.30 0.00 -2.01 0.00 0.00 57.72 53.83 3men n HIS 13 Cb 0.46 1.54 0.06 0.00 0.12 0.00 0.00 29.99 32.18 3men n HIS 13 CO 0.00 0.00 0.00 -1.25 -2.81 0.00 0.00 176.34 172.28 3men s PRO 14 N 0.71 2.55 -0.00 -1.40 0.05 -1.26 -4.98 135.00 130.66 3men s PRO 14 Ca 0.32 0.56 0.13 0.00 0.05 0.00 0.00 61.00 62.06 3men s PRO 14 Cb 0.19 -1.98 -0.16 0.00 0.05 0.00 0.00 34.50 32.61 3men s PRO 14 CO -0.22 -1.28 0.50 0.54 0.05 0.00 0.00 177.00 176.60 3men n ARG 15 N -3.19 2.10 -4.03 4.56 5.12 -1.26 -4.80 116.66 115.16 3men n ARG 15 Ca 0.07 -0.03 -0.33 0.00 -1.93 0.00 0.00 57.85 55.63 3men n ARG 15 Cb 0.57 -1.17 -0.15 0.00 -1.16 0.00 0.00 32.46 30.54 3men n ARG 15 CO 0.00 0.00 0.00 0.99 -1.93 0.00 0.00 177.63 176.69 3men s THR 16 N -2.41 2.45 -0.04 0.55 2.01 -1.26 -4.57 115.64 112.36 3men s THR 16 Ca 0.03 -1.17 -0.01 0.00 0.31 0.00 0.00 61.69 60.85 3men s THR 16 Cb 0.10 -2.24 0.03 0.00 0.01 0.00 0.00 72.50 70.39 3men s THR 16 CO 0.55 0.23 0.01 -0.31 -0.69 0.00 0.00 174.62 174.41 3men s TYR 17 N 1.25 0.37 -0.23 4.92 2.02 -1.26 -4.59 117.35 119.84 3men s TYR 17 Ca -0.01 0.00 -0.07 0.00 -0.37 0.00 0.00 57.07 56.62 3men s TYR 17 Cb -0.17 -0.54 -0.03 0.00 -0.40 0.00 0.00 41.96 40.83 3men s TYR 17 CO -0.07 -0.20 0.05 0.12 -1.57 0.00 0.00 175.55 173.89 3men s PHE 18 N 1.50 3.10 -0.18 2.71 5.36 -0.40 0.06 117.98 130.14 3men s PHE 18 Ca -0.03 -0.33 -0.12 0.00 -0.96 0.00 0.00 56.93 55.49 3men s PHE 18 Cb -0.13 -2.17 0.06 0.00 -0.34 0.00 0.00 43.02 40.43 3men s PHE 18 CO -0.03 -0.24 0.44 0.45 -1.46 0.00 0.00 175.22 174.39 3men s SER 19 N 1.25 -0.53 -1.19 6.13 0.15 -0.41 -3.96 113.70 115.13 3men s SER 19 Ca 0.04 0.94 -0.16 0.00 0.70 0.00 0.00 55.95 57.48 3men s SER 19 Cb -0.15 0.87 -0.01 0.00 -1.71 0.00 0.00 66.02 65.02 3men s SER 19 CO 0.03 -0.18 0.73 0.54 1.20 0.00 0.00 173.24 175.55 3men n ARG 20 N 3.79 -1.85 0.00 5.44 1.74 -1.26 -2.17 116.66 122.34 3men n ARG 20 Ca -0.20 0.47 0.00 0.00 -0.77 0.00 0.00 57.85 57.35 3men n ARG 20 Cb 0.56 -4.29 0.00 0.00 -1.02 0.00 0.00 32.46 27.71 3men n ARG 20 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 3men n GLY 21 N -1.72 2.84 3.10 -0.13 0.00 -1.26 -5.00 105.19 103.02 3men n GLY 21 Ca -0.14 0.00 -0.07 0.00 0.00 0.00 0.00 46.02 45.80 3men n GLY 21 CO 0.00 0.00 0.00 1.09 0.00 0.00 0.00 173.32 174.41 3men s ARG 22 N -0.15 0.62 0.40 1.61 1.70 -0.92 -5.14 118.95 117.07 3men s ARG 22 Ca 0.00 -1.15 -0.25 0.00 -0.47 0.00 0.00 55.73 53.85 3men s ARG 22 Cb 0.00 0.22 -0.08 0.00 -0.57 0.00 0.00 34.95 34.52 3men s ARG 22 CO 0.00 -0.12 1.16 -1.64 -1.08 0.00 0.00 175.30 173.62 3men s MET 23 N -3.78 4.06 0.11 3.89 1.00 -1.26 -1.28 119.30 122.05 3men s MET 23 Ca 0.05 1.82 0.03 0.00 0.00 0.00 0.00 55.69 57.59 3men s MET 23 Cb 0.07 -2.67 -0.04 0.00 0.00 0.00 0.00 34.83 32.18 3men s MET 23 CO -0.10 -0.31 -0.08 1.03 0.00 0.00 0.00 175.02 175.57 3men s ARG 24 N -2.30 0.89 0.18 2.03 0.52 0.11 -4.92 118.95 115.47 3men s ARG 24 Ca 0.57 -1.34 -0.32 0.00 -0.52 0.00 0.00 55.73 54.12 3men s ARG 24 Cb -0.30 -0.36 -0.11 0.00 0.52 0.00 0.00 34.95 34.70 3men s ARG 24 CO 0.38 0.02 1.64 0.00 0.02 0.00 0.00 175.30 177.36 3men s MET 25 N -3.67 4.18 0.32 3.54 0.00 -1.26 -4.01 119.30 118.40 3men s MET 25 Ca 0.12 2.47 -0.28 0.00 0.00 0.00 0.00 55.69 58.00 3men s MET 25 Cb 0.03 -3.12 -0.13 0.00 0.00 0.00 0.00 34.83 31.61 3men s MET 25 CO -0.03 -0.67 1.21 -2.30 0.00 0.00 0.00 175.02 173.23 3men n PRO 26 N 3.99 1.89 -0.02 3.16 -0.02 -1.26 -4.92 135.00 137.82 3men n PRO 26 Ca 0.15 0.66 -0.01 0.00 -2.02 0.00 0.00 63.50 62.28 3men n PRO 26 Cb 0.37 -2.19 -0.04 0.00 -0.02 0.00 0.00 33.50 31.63 3men n PRO 26 CO 0.00 0.00 0.00 1.04 1.98 0.00 0.00 175.50 178.52 3men n GLN 27 N 0.65 2.58 -2.99 -0.52 1.13 -1.26 -4.88 117.38 112.09 3men n GLN 27 Ca 0.06 -0.01 -0.44 0.00 -1.94 0.00 0.00 57.00 54.67 3men n GLN 27 Cb 0.35 -1.12 0.00 0.00 0.11 0.00 0.00 30.24 29.58 3men n GLN 27 CO 0.00 0.00 0.00 -1.91 -1.44 0.00 0.00 177.06 173.71 3men n GLU 28 N -2.07 3.40 -4.29 -1.09 0.00 -1.26 -4.88 120.64 110.45 3men n GLU 28 Ca -0.06 -3.93 -0.26 0.00 0.00 0.00 0.00 57.16 52.91 3men n GLU 28 Cb 0.54 -2.97 -0.09 0.00 0.00 0.00 0.00 31.44 28.92 3men n GLU 28 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 177.13 177.27 3men s VAL 29 N 1.13 3.25 0.50 6.31 -7.23 -1.26 -4.91 120.40 118.19 3men s VAL 29 Ca 0.41 -1.69 0.27 0.00 -1.81 0.00 0.00 61.98 59.15 3men s VAL 29 Cb -0.03 -2.63 0.44 0.00 0.56 0.00 0.00 36.38 34.71 3men s VAL 29 CO -0.01 -0.16 1.89 -0.65 -0.31 0.00 0.00 175.10 175.86 3men h PRO 30 N 2.73 0.12 -0.38 4.82 0.11 -1.87 -1.68 132.00 135.86 3men h PRO 30 Ca -0.46 -0.01 0.05 0.00 0.11 0.00 0.00 66.00 65.69 3men h PRO 30 Cb 1.21 -0.03 -0.02 0.00 0.11 0.00 0.00 31.00 32.27 3men h PRO 30 CO 0.56 0.08 0.25 1.49 -0.21 0.00 0.00 178.00 180.17 3men h GLU 31 N 0.13 0.29 -0.67 1.05 4.57 -1.96 -0.42 114.58 117.58 3men h GLU 31 Ca 0.43 -0.02 0.14 0.00 -1.18 0.00 0.00 59.36 58.73 3men h GLU 31 Cb 1.48 -0.07 -0.11 0.00 -0.16 0.00 0.00 28.75 29.90 3men h GLU 31 CO -0.06 0.19 0.06 0.00 -1.18 0.00 0.00 179.01 178.02 3men h ARG 32 N 0.30 0.16 -0.15 1.92 3.08 -1.67 -1.49 114.38 116.53 3men h ARG 32 Ca 0.16 -0.01 -0.14 0.00 0.07 0.00 0.00 59.98 60.07 3men h ARG 32 Cb 0.26 -0.04 -0.01 0.00 0.08 0.00 0.00 29.97 30.27 3men h ARG 32 CO -0.03 0.11 -0.49 0.00 -1.07 0.00 0.00 179.97 178.48 3men h ALA 33 N 1.59 0.88 -0.73 0.04 0.00 -1.25 -2.49 119.26 117.30 3men h ALA 33 Ca 0.36 -0.48 0.02 0.00 0.00 0.00 0.00 54.91 54.81 3men h ALA 33 Cb 0.60 -0.09 -0.04 0.00 0.00 0.00 0.00 17.79 18.26 3men h ALA 33 CO -0.53 0.66 0.48 0.00 0.00 0.00 0.00 179.25 179.86 3men h ALA 34 N 1.16 0.94 -0.37 0.00 0.00 -1.22 0.14 119.26 119.91 3men h ALA 34 Ca 0.01 -0.04 -0.15 0.00 0.00 0.00 0.00 54.91 54.73 3men h ALA 34 Cb 0.98 -0.28 -0.01 0.00 0.00 0.00 0.00 17.79 18.48 3men h ALA 34 CO 0.08 0.32 -0.37 0.00 0.00 0.00 0.00 179.25 179.28 3men h ARG 35 N 0.96 0.89 -0.37 0.00 2.47 -1.14 -2.22 114.38 114.97 3men h ARG 35 Ca 0.28 -0.46 -0.09 0.00 -1.26 0.00 0.00 59.98 58.45 3men h ARG 35 Cb -0.07 0.01 -0.01 0.00 -1.65 0.00 0.00 29.97 28.25 3men h ARG 35 CO -0.08 1.10 -0.14 -0.07 0.56 0.00 0.00 179.97 181.35 3men h LEU 36 N 0.73 0.76 -0.61 3.04 3.38 -1.11 -1.85 115.31 119.65 3men h LEU 36 Ca 0.06 -0.39 0.06 0.00 0.09 0.00 0.00 57.88 57.70 3men h LEU 36 Cb 0.95 -0.21 -0.05 0.00 0.09 0.00 0.00 40.66 41.44 3men h LEU 36 CO 0.09 0.98 0.32 0.58 0.09 0.00 0.00 178.44 180.50 3men h VAL 37 N 0.54 0.95 -0.98 1.22 2.07 -0.71 -1.58 116.25 117.76 3men h VAL 37 Ca 0.09 -0.21 0.13 0.00 0.82 0.00 0.00 66.70 67.53 3men h VAL 37 Cb 0.67 0.29 -0.09 0.00 -1.52 0.00 0.00 31.29 30.65 3men h VAL 37 CO 0.05 0.11 0.60 0.00 0.02 0.00 0.00 177.57 178.35 3men h ALA 38 N 1.33 1.48 -0.31 1.67 0.00 -1.01 0.05 119.26 122.47 3men h ALA 38 Ca 0.27 0.03 -0.05 0.00 0.00 0.00 0.00 54.91 55.16 3men h ALA 38 Cb 0.18 -0.18 -0.01 0.00 0.00 0.00 0.00 17.79 17.78 3men h ALA 38 CO -0.18 0.17 -0.02 0.00 0.00 0.00 0.00 179.25 179.22 3men h ALA 39 N 1.54 0.42 -0.53 0.00 0.00 -0.65 -1.53 119.26 118.52 3men h ALA 39 Ca 0.49 -0.25 0.07 0.00 0.00 0.00 0.00 54.91 55.23 3men h ALA 39 Cb 0.52 -0.11 -0.06 0.00 0.00 0.00 0.00 17.79 18.14 3men h ALA 39 CO -0.28 0.19 0.20 0.00 0.00 0.00 0.00 179.25 179.36 3men h ALA 40 N 0.83 0.66 -0.32 0.00 0.00 -0.77 -2.13 119.26 117.53 3men h ALA 40 Ca 0.09 0.06 0.01 0.00 0.00 0.00 0.00 54.91 55.08 3men h ALA 40 Cb 0.47 0.03 -0.02 0.00 0.00 0.00 0.00 17.79 18.27 3men h ALA 40 CO 0.02 -0.20 0.19 0.74 0.00 0.00 0.00 179.25 180.00 3men h PHE 41 N 0.38 0.35 0.00 0.00 0.04 -0.80 -1.91 116.94 115.00 3men h PHE 41 Ca 0.25 0.01 0.00 0.00 2.80 0.00 0.00 57.97 61.04 3men h PHE 41 Cb 0.27 -0.11 0.00 0.00 2.20 0.00 0.00 35.95 38.31 3men h PHE 41 CO -0.16 0.20 0.00 0.00 -0.60 0.00 0.00 178.31 177.76 3men h ALA 42 N 1.14 1.00 -0.02 2.45 0.00 -0.65 -1.38 119.26 121.80 3men h ALA 42 Ca 0.13 0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.04 3men h ALA 42 Cb 0.00 0.00 0.00 0.00 0.00 0.00 0.00 17.79 17.79 3men h ALA 42 CO -0.06 0.00 -0.24 -1.33 0.00 0.00 0.00 179.25 177.62 3men n MET 43 N -2.86 1.62 -0.80 0.00 2.81 -0.91 -4.96 117.12 112.02 3men n MET 43 Ca -0.01 -1.28 0.00 0.00 -1.81 0.00 0.00 57.70 54.60 3men n MET 43 Cb 0.16 -1.47 0.00 0.00 -0.71 0.00 0.00 33.22 31.19 3men n MET 43 CO 0.00 0.00 0.00 0.41 1.51 0.00 0.00 175.97 177.89 3men n GLY 44 N 1.37 0.59 3.74 3.03 0.00 -0.52 -4.81 105.19 108.58 3men n GLY 44 Ca 0.12 -0.12 -0.41 0.00 0.00 0.00 0.00 46.02 45.60 3men n GLY 44 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 3men s PHE 45 N -2.00 3.30 -0.05 1.61 0.40 -0.75 -4.95 117.98 115.54 3men s PHE 45 Ca 0.00 1.31 -0.30 0.00 -0.60 0.00 0.00 56.93 57.34 3men s PHE 45 Cb 0.00 -3.55 -0.04 0.00 0.51 0.00 0.00 43.02 39.94 3men s PHE 45 CO 0.00 -1.65 1.25 -1.25 0.70 0.00 0.00 175.22 174.26 3men s PRO 46 N -0.33 4.33 -0.31 0.24 0.04 -1.26 -4.57 135.00 133.14 3men s PRO 46 Ca 0.55 1.73 -0.11 0.00 0.04 0.00 0.00 61.00 63.21 3men s PRO 46 Cb -0.36 -3.58 -0.02 0.00 0.04 0.00 0.00 34.50 30.59 3men s PRO 46 CO 0.39 -0.49 0.19 0.08 0.04 0.00 0.00 177.00 177.21 3men s VAL 47 N 2.35 5.00 0.08 -0.36 1.01 -1.26 -1.55 120.40 125.67 3men s VAL 47 Ca 0.57 -0.19 0.07 0.00 0.00 0.00 0.00 61.98 62.44 3men s VAL 47 Cb -0.26 -3.50 -0.03 0.00 0.00 0.00 0.00 36.38 32.59 3men s VAL 47 CO 0.22 0.10 -0.19 -0.13 0.00 0.00 0.00 175.10 175.10 3men s ARG 48 N 1.69 1.12 0.14 2.72 0.52 0.11 -4.98 118.95 120.26 3men s ARG 48 Ca 0.06 -1.04 -0.31 0.00 -0.52 0.00 0.00 55.73 53.91 3men s ARG 48 Cb -0.17 -1.29 -0.09 0.00 0.52 0.00 0.00 34.95 33.92 3men s ARG 48 CO 0.09 0.31 1.49 -1.21 0.02 0.00 0.00 175.30 176.00 3men s GLU 49 N -1.65 4.26 0.46 3.54 2.02 -1.25 -1.87 118.70 124.21 3men s GLU 49 Ca 0.05 2.24 -0.23 0.00 0.02 0.00 0.00 54.97 57.04 3men s GLU 49 Cb -0.10 -3.20 -0.07 0.00 0.10 0.00 0.00 34.13 30.86 3men s GLU 49 CO 0.03 -0.54 1.20 -1.25 0.02 0.00 0.00 175.26 174.73 3men s PRO 50 N 1.15 3.72 1.03 0.39 0.04 -1.26 -4.94 135.00 135.12 3men s PRO 50 Ca 0.68 1.88 -0.12 0.00 0.04 0.00 0.00 61.00 63.48 3men s PRO 50 Cb -0.41 -2.45 0.21 0.00 0.04 0.00 0.00 34.50 31.89 3men s PRO 50 CO 0.31 -0.61 1.08 -0.51 0.04 0.00 0.00 177.00 177.31 3men s ASP 51 N -1.23 2.14 -0.56 6.66 1.01 -1.26 -4.98 116.67 118.45 3men s ASP 51 Ca 0.63 1.74 -0.23 0.00 0.71 0.00 0.00 52.55 55.40 3men s ASP 51 Cb -0.31 -2.36 0.05 0.00 1.01 0.00 0.00 42.92 41.31 3men s ASP 51 CO 0.38 -3.52 0.87 -0.62 0.21 0.00 0.00 175.17 172.49 3men s ASP 52 N -2.76 6.27 0.00 0.27 -1.08 -1.26 -4.84 116.67 113.27 3men s ASP 52 Ca 0.67 -0.64 0.30 0.00 -0.52 0.00 0.00 52.55 52.36 3men s ASP 52 Cb -0.23 -2.40 1.49 0.00 -1.46 0.00 0.00 42.92 40.33 3men s ASP 52 CO 0.61 -1.19 1.99 0.49 0.52 0.00 0.00 175.17 177.59 3men n PHE 53 N 7.20 0.00 -3.18 -5.34 3.72 -1.26 -5.05 117.46 113.55 3men n PHE 53 Ca -0.02 0.00 0.00 0.00 -0.05 0.00 0.00 57.45 57.38 3men n PHE 53 Cb 0.46 -0.02 0.00 0.00 -0.94 0.00 0.00 39.48 38.99 3men n PHE 53 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 176.76 177.12 3men n GLY 54 N 1.10 -2.14 0.08 1.37 0.00 -1.26 -4.60 105.19 99.74 3men n GLY 54 Ca 0.21 -1.46 -0.06 0.00 0.00 0.00 0.00 46.02 44.72 3men n GLY 54 CO 0.00 0.00 0.00 1.19 0.00 0.00 0.00 173.32 174.51 3men h ILE 55 N 0.00 0.93 -0.80 -0.61 6.09 -2.01 -3.40 117.51 117.70 3men h ILE 55 Ca 0.00 -2.64 0.12 0.00 -1.37 0.00 0.00 64.86 60.97 3men h ILE 55 Cb 0.00 2.41 -0.08 0.00 0.47 0.00 0.00 36.82 39.61 3men h ILE 55 CO 0.00 0.53 0.41 0.00 -3.07 0.00 0.00 178.15 176.02 3men h ALA 56 N 1.13 1.17 0.00 0.18 0.00 -1.98 0.13 119.26 119.89 3men h ALA 56 Ca -0.19 0.07 -0.01 0.00 0.00 0.00 0.00 54.91 54.78 3men h ALA 56 Cb 1.83 -0.04 -0.00 0.00 0.00 0.00 0.00 17.79 19.58 3men h ALA 56 CO 0.08 -0.05 -0.04 -1.35 0.00 0.00 0.00 179.25 177.88 3men h PRO 57 N 0.63 0.00 0.01 0.00 0.11 -1.83 0.50 132.00 131.44 3men h PRO 57 Ca 0.42 0.00 -0.14 0.00 0.11 0.00 0.00 66.00 66.39 3men h PRO 57 Cb 0.53 0.00 0.01 0.00 0.11 0.00 0.00 31.00 31.65 3men h PRO 57 CO -0.32 0.04 -0.54 0.82 -0.21 0.00 0.00 178.00 177.79 3men h ILE 58 N 0.00 1.47 0.00 4.15 2.04 -1.09 -3.21 117.51 120.87 3men h ILE 58 Ca -0.00 -2.10 -0.01 0.00 1.00 0.00 0.00 64.86 63.75 3men h ILE 58 Cb 0.58 2.71 -0.00 0.00 -0.74 0.00 0.00 36.82 39.37 3men h ILE 58 CO 0.01 0.60 -0.02 0.00 0.00 0.00 0.00 178.15 178.73 3men h ALA 59 N 0.28 1.15 0.00 1.87 0.00 -0.69 -0.72 119.26 121.15 3men h ALA 59 Ca -0.07 -0.02 -0.01 0.00 0.00 0.00 0.00 54.91 54.80 3men h ALA 59 Cb 1.28 -0.00 -0.00 0.00 0.00 0.00 0.00 17.79 19.06 3men h ALA 59 CO 0.11 0.03 -0.07 0.00 0.00 0.00 0.00 179.25 179.32 3men h ALA 60 N 1.98 1.21 0.00 0.00 0.00 -0.90 -3.29 119.26 118.25 3men h ALA 60 Ca -0.00 -0.06 -0.24 0.00 0.00 0.00 0.00 54.91 54.61 3men h ALA 60 Cb 0.15 -0.01 -0.04 0.00 0.00 0.00 0.00 17.79 17.89 3men h ALA 60 CO 0.00 0.09 -1.85 0.28 0.00 0.00 0.00 179.25 177.77 3men n VAL 61 N -3.47 0.85 -3.93 0.00 0.31 -0.66 -5.05 118.33 106.38 3men n VAL 61 Ca -0.02 -0.28 -0.32 0.00 -0.01 0.00 0.00 64.34 63.71 3men n VAL 61 Cb 0.20 -1.28 -0.05 0.00 -0.91 0.00 0.00 33.84 31.81 3men n VAL 61 CO 0.00 0.00 0.00 -1.00 -1.32 0.00 0.00 176.83 174.51 3men s HIS 62 N -2.29 3.50 0.20 3.52 4.02 -0.37 -4.77 115.29 119.11 3men s HIS 62 Ca -0.21 0.28 -0.30 0.00 1.02 0.00 0.00 55.06 55.85 3men s HIS 62 Cb 0.06 -1.78 -0.09 0.00 -1.02 0.00 0.00 32.58 29.76 3men s HIS 62 CO 0.32 0.61 1.36 0.34 1.02 0.00 0.00 174.74 178.38 3men s ASP 63 N -2.26 6.82 0.41 1.40 3.68 -0.70 -4.46 116.67 121.56 3men s ASP 63 Ca 0.31 2.47 0.19 0.00 2.13 0.00 0.00 52.55 57.66 3men s ASP 63 Cb -0.13 -2.61 0.89 0.00 -1.45 0.00 0.00 42.92 39.62 3men s ASP 63 CO 0.24 -0.59 1.85 0.71 0.13 0.00 0.00 175.17 177.50 3men h THR 64 N 3.74 0.91 -0.04 1.71 1.35 -1.91 -1.80 112.91 116.87 3men h THR 64 Ca -0.45 -1.19 -0.09 0.00 -0.55 0.00 0.00 66.41 64.13 3men h THR 64 Cb 1.21 1.70 -0.01 0.00 -1.73 0.00 0.00 68.15 69.33 3men h THR 64 CO 0.79 0.30 -0.39 0.45 -0.25 0.00 0.00 175.52 176.42 3men h HIS 65 N 0.00 0.08 -0.22 4.73 3.86 -1.98 -0.81 115.15 120.81 3men h HIS 65 Ca -0.00 -0.02 -0.07 0.00 -1.16 0.00 0.00 60.37 59.11 3men h HIS 65 Cb 0.68 -0.02 -0.00 0.00 1.06 0.00 0.00 27.41 29.13 3men h HIS 65 CO 0.00 0.46 -0.15 -0.92 0.86 0.00 0.00 177.93 178.17 3men h TYR 66 N 0.06 0.58 -0.46 2.45 3.20 -1.67 -1.20 116.97 119.93 3men h TYR 66 Ca 0.00 -0.16 -0.09 0.00 3.14 0.00 0.00 58.73 61.62 3men h TYR 66 Cb 0.72 -0.13 -0.02 0.00 1.54 0.00 0.00 36.73 38.84 3men h TYR 66 CO 0.00 0.80 -0.10 -0.07 -1.64 0.00 0.00 178.16 177.16 3men h LEU 67 N 0.19 0.81 0.00 2.82 3.38 -1.15 0.25 115.31 121.61 3men h LEU 67 Ca 0.04 -0.24 -0.00 0.00 0.09 0.00 0.00 57.88 57.77 3men h LEU 67 Cb 0.67 -0.22 0.00 0.00 0.09 0.00 0.00 40.66 41.21 3men h LEU 67 CO 0.04 0.93 -0.00 0.03 0.09 0.00 0.00 178.44 179.53 3men h ARG 68 N 0.74 -0.01 -0.23 1.13 3.08 -1.17 -1.28 114.38 116.64 3men h ARG 68 Ca 0.13 0.00 0.06 0.00 0.07 0.00 0.00 59.98 60.24 3men h ARG 68 Cb 0.59 0.00 -0.07 0.00 0.08 0.00 0.00 29.97 30.57 3men h ARG 68 CO 0.04 0.06 -0.26 0.35 -1.07 0.00 0.00 179.97 179.09 3men h PHE 69 N -0.07 -0.70 -0.83 3.04 3.57 -0.46 -2.11 116.94 119.38 3men h PHE 69 Ca -0.00 0.04 0.05 0.00 3.53 0.00 0.00 57.97 61.59 3men h PHE 69 Cb 0.07 0.34 -0.05 0.00 2.79 0.00 0.00 35.95 39.10 3men h PHE 69 CO -0.06 -0.34 0.55 1.25 -2.23 0.00 0.00 178.31 177.48 3men h LEU 70 N -0.27 0.84 -0.60 0.59 5.85 -0.25 0.27 115.31 121.74 3men h LEU 70 Ca 0.13 -0.00 -0.15 0.00 0.84 0.00 0.00 57.88 58.70 3men h LEU 70 Cb 0.48 -0.18 -0.01 0.00 0.37 0.00 0.00 40.66 41.32 3men h LEU 70 CO -0.39 0.56 -0.62 -0.08 -0.34 0.00 0.00 178.44 177.57 3men h GLU 71 N 0.97 0.30 -0.01 1.25 4.81 -0.68 -3.32 114.58 117.90 3men h GLU 71 Ca 0.35 -0.21 0.00 0.00 -0.13 0.00 0.00 59.36 59.37 3men h GLU 71 Cb 0.14 0.03 0.00 0.00 0.63 0.00 0.00 28.75 29.55 3men h GLU 71 CO -0.12 0.82 -0.37 0.25 -0.73 0.00 0.00 179.01 178.87 3men n THR 72 N -3.87 0.00 -0.24 0.32 -2.24 -0.74 -4.72 114.28 102.78 3men n THR 72 Ca -0.03 -0.32 -0.07 0.00 -2.27 0.00 0.00 64.05 61.37 3men n THR 72 Cb 0.63 1.09 0.04 0.00 -2.10 0.00 0.00 70.33 70.00 3men n THR 72 CO 0.00 0.00 0.00 1.62 -0.57 0.00 0.00 175.07 176.12 3men h VAL 73 N 0.89 1.25 -0.64 2.28 3.04 -1.07 -0.97 116.25 121.03 3men h VAL 73 Ca 0.00 -0.85 0.00 0.00 -1.01 0.00 0.00 66.70 64.84 3men h VAL 73 Cb 0.37 0.53 -0.03 0.00 -2.01 0.00 0.00 31.29 30.15 3men h VAL 73 CO 0.00 0.33 0.40 -0.74 -1.01 0.00 0.00 177.57 176.55 3men h HIS 74 N 0.98 0.83 -0.93 3.17 6.17 -1.84 0.28 115.15 123.81 3men h HIS 74 Ca 0.22 0.01 0.01 0.00 0.71 0.00 0.00 60.37 61.32 3men h HIS 74 Cb 0.28 -0.28 -0.05 0.00 2.52 0.00 0.00 27.41 29.89 3men h HIS 74 CO 0.02 0.55 0.62 -0.09 0.71 0.00 0.00 177.93 179.74 3men h ARG 75 N 0.87 1.22 -0.05 5.26 2.43 -1.78 -0.31 114.38 122.02 3men h ARG 75 Ca 0.23 -0.07 -0.19 0.00 -0.81 0.00 0.00 59.98 59.14 3men h ARG 75 Cb -0.05 -0.28 -0.00 0.00 -0.42 0.00 0.00 29.97 29.22 3men h ARG 75 CO -0.05 0.81 -0.78 0.93 -1.51 0.00 0.00 179.97 179.38 3men h GLU 76 N 1.26 0.37 -0.22 0.20 4.39 -0.52 -2.98 114.58 117.07 3men h GLU 76 Ca 0.34 -0.32 -0.11 0.00 0.34 0.00 0.00 59.36 59.61 3men h GLU 76 Cb -0.14 0.08 -0.01 0.00 -0.10 0.00 0.00 28.75 28.57 3men h GLU 76 CO -0.07 0.98 -0.32 2.35 -1.16 0.00 0.00 179.01 180.78 3men h TRP 77 N 0.24 0.53 0.00 4.33 2.91 -0.21 -2.85 115.95 120.89 3men h TRP 77 Ca -0.04 -0.13 -0.06 0.00 1.13 0.00 0.00 58.89 59.79 3men h TRP 77 Cb 1.36 -0.12 -0.01 0.00 -0.51 0.00 0.00 29.16 29.88 3men h TRP 77 CO 0.04 0.73 -0.31 -0.22 -1.03 0.00 0.00 178.44 177.66 3men h LYS 78 N 0.40 0.00 0.00 2.65 3.64 -0.98 -2.63 116.57 119.65 3men h LYS 78 Ca 0.05 0.00 0.00 0.00 -1.27 0.00 0.00 60.65 59.43 3men h LYS 78 Cb 0.76 0.00 0.00 0.00 -0.41 0.00 0.00 32.23 32.58 3men h LYS 78 CO 0.06 0.31 0.00 0.00 -2.27 0.00 0.00 179.45 177.55 3men n ALA 79 N -2.42 2.13 -1.90 5.00 0.00 -1.08 -4.79 120.51 117.45 3men n ALA 79 Ca -0.02 -0.06 -0.29 0.00 0.00 0.00 0.00 53.44 53.08 3men n ALA 79 Cb 0.37 -1.42 0.09 0.00 0.00 0.00 0.00 19.45 18.49 3men n ALA 79 CO 0.00 0.00 0.00 -1.64 0.00 0.00 0.00 177.50 175.86 3men s MET 80 N -3.05 2.01 0.49 0.00 -1.94 -0.99 -5.01 119.30 110.81 3men s MET 80 Ca 0.11 0.12 -0.21 0.00 -1.71 0.00 0.00 55.69 54.00 3men s MET 80 Cb 0.15 -1.96 -0.10 0.00 2.01 0.00 0.00 34.83 34.93 3men s MET 80 CO 0.48 -1.56 0.67 -2.30 -0.01 0.00 0.00 175.02 172.30 3men n PRO 81 N -3.29 0.74 -0.22 2.03 -0.02 -1.26 -4.84 135.00 128.14 3men n PRO 81 Ca 0.08 0.27 0.18 0.00 -2.02 0.00 0.00 63.50 62.01 3men n PRO 81 Cb 0.61 -1.74 0.51 0.00 -0.02 0.00 0.00 33.50 32.86 3men n PRO 81 CO 0.00 0.00 0.00 1.05 1.98 0.00 0.00 175.50 178.53 3men h GLU 82 N 0.72 0.40 -0.26 -0.52 9.09 -1.93 -0.84 114.58 121.24 3men h GLU 82 Ca -0.44 -0.02 0.08 0.00 0.05 0.00 0.00 59.36 59.03 3men h GLU 82 Cb 1.38 -0.09 -0.01 0.00 -1.65 0.00 0.00 28.75 28.38 3men h GLU 82 CO 0.51 0.26 0.33 0.22 0.05 0.00 0.00 179.01 180.38 3men h ASP 83 N 0.41 0.00 0.59 3.06 3.58 -2.00 -0.81 116.42 121.25 3men h ASP 83 Ca 0.43 0.00 0.00 0.00 0.42 0.00 0.00 57.03 57.88 3men h ASP 83 Cb 1.06 0.00 0.00 0.00 1.72 0.00 0.00 39.33 42.11 3men h ASP 83 CO -0.15 0.00 0.00 0.79 -2.88 0.00 0.00 179.24 177.00 3men n TRP 84 N -3.63 0.00 -2.63 0.28 7.02 -0.32 -5.02 117.44 113.14 3men n TRP 84 Ca 0.04 0.00 0.01 0.00 -1.02 0.00 0.00 57.50 56.53 3men n TRP 84 Cb 0.47 -0.43 -0.00 0.00 -2.42 0.00 0.00 31.31 28.93 3men n TRP 84 CO 0.00 0.00 0.00 0.41 -2.02 0.00 0.00 177.69 176.08 3men n GLY 85 N 0.55 -2.06 0.00 6.99 0.00 -0.31 -4.60 105.19 105.75 3men n GLY 85 Ca 0.07 -1.42 0.11 0.00 0.00 0.00 0.00 46.02 44.78 3men n GLY 85 CO 0.00 0.00 0.00 1.34 0.00 0.00 0.00 173.32 174.66 3men n ASP 86 N -0.20 0.71 -4.14 1.61 2.03 -1.26 -4.82 116.55 110.48 3men n ASP 86 Ca 0.00 -0.55 -0.31 0.00 0.52 0.00 0.00 54.79 54.45 3men n ASP 86 Cb 0.03 0.60 -0.17 0.00 -0.72 0.00 0.00 41.12 40.86 3men n ASP 86 CO 0.00 0.00 0.00 -1.61 -1.92 0.00 0.00 177.20 173.67 3men s GLU 87 N -3.02 2.81 0.16 -0.67 2.02 -1.26 -4.65 118.70 114.10 3men s GLU 87 Ca 0.09 -0.78 -0.30 0.00 0.02 0.00 0.00 54.97 54.00 3men s GLU 87 Cb 0.17 -2.30 -0.08 0.00 0.10 0.00 0.00 34.13 32.02 3men s GLU 87 CO 0.78 -0.03 1.31 0.00 0.02 0.00 0.00 175.26 177.33 3men s ALA 88 N 0.87 3.52 0.05 5.21 0.00 -0.58 -4.82 121.76 126.01 3men s ALA 88 Ca -0.07 1.07 -0.13 0.00 0.00 0.00 0.00 51.96 52.84 3men s ALA 88 Cb -0.15 -3.49 0.02 0.00 0.00 0.00 0.00 23.12 19.50 3men s ALA 88 CO -0.02 -0.53 0.28 -1.64 0.00 0.00 0.00 175.76 173.84 3men s MET 89 N 0.29 0.81 -0.15 0.00 -1.94 -1.26 -1.28 119.30 115.78 3men s MET 89 Ca 0.59 -0.60 -0.12 0.00 -1.71 0.00 0.00 55.69 53.85 3men s MET 89 Cb -0.36 0.35 -0.05 0.00 2.01 0.00 0.00 34.83 36.78 3men s MET 89 CO 0.35 -0.26 0.23 0.45 -0.01 0.00 0.00 175.02 175.78 3men s SER 90 N -2.22 6.39 -0.06 3.03 0.15 -1.26 -4.95 113.70 114.78 3men s SER 90 Ca -0.03 0.45 0.09 0.00 0.70 0.00 0.00 55.95 57.16 3men s SER 90 Cb 0.00 -2.14 0.17 0.00 -1.71 0.00 0.00 66.02 62.34 3men s SER 90 CO -0.05 0.20 1.11 -0.46 1.20 0.00 0.00 173.24 175.23 3men n ASN 91 N 3.14 2.36 -3.80 5.45 6.94 -1.26 -4.91 115.26 123.18 3men n ASN 91 Ca -0.15 -2.46 -0.24 0.00 -0.02 0.00 0.00 54.58 51.71 3men n ASN 91 Cb 0.52 -0.21 -0.17 0.00 -2.36 0.00 0.00 39.78 37.56 3men n ASN 91 CO 0.00 0.00 0.00 -0.63 -1.03 0.00 0.00 177.26 175.60 3men s ILE 92 N -1.79 0.54 -0.75 1.53 1.01 -1.26 -5.06 121.20 115.42 3men s ILE 92 Ca 0.17 -0.06 0.02 0.00 0.00 0.00 0.00 60.65 60.78 3men s ILE 92 Cb 0.13 -0.71 0.35 0.00 0.01 0.00 0.00 42.46 42.24 3men s ILE 92 CO 0.03 0.22 1.45 0.49 0.00 0.00 0.00 174.94 177.14 3men n PHE 93 N 5.09 3.34 -3.83 3.97 3.72 -1.26 -4.38 117.46 124.11 3men n PHE 93 Ca -0.08 -3.08 -0.28 0.00 -0.05 0.00 0.00 57.45 53.96 3men n PHE 93 Cb 0.50 -0.77 -0.16 0.00 -0.94 0.00 0.00 39.48 38.10 3men n PHE 93 CO 0.00 0.00 0.00 0.08 -0.05 0.00 0.00 176.76 176.79 3men s VAL 94 N -4.73 0.90 0.03 -4.37 1.01 -1.25 -5.00 120.40 106.99 3men s VAL 94 Ca 0.46 -0.61 -0.17 0.00 0.00 0.00 0.00 61.98 61.66 3men s VAL 94 Cb 0.30 -1.19 -0.25 0.00 0.00 0.00 0.00 36.38 35.24 3men s VAL 94 CO -0.19 0.00 1.11 0.08 0.00 0.00 0.00 175.10 176.10 3men h ARG 95 N 8.16 0.54 -1.99 2.72 -0.00 -1.91 -3.34 114.38 118.55 3men h ARG 95 Ca -0.20 -0.62 -0.03 0.00 -0.00 0.00 0.00 59.98 59.12 3men h ARG 95 Cb 1.11 0.19 -0.19 0.00 -0.00 0.00 0.00 29.97 31.08 3men h ARG 95 CO 0.37 1.24 0.26 -1.83 -0.00 0.00 0.00 179.97 180.00 3men s GLU 96 N -3.14 0.99 0.50 0.08 -1.05 -1.26 -4.31 118.70 110.52 3men s GLU 96 Ca -0.11 0.19 -0.23 0.00 -0.15 0.00 0.00 54.97 54.67 3men s GLU 96 Cb 0.05 0.47 -0.06 0.00 -0.44 0.00 0.00 34.13 34.14 3men s GLU 96 CO 0.88 -0.32 1.29 -2.14 0.95 0.00 0.00 175.26 175.92 3men s PRO 97 N -1.35 3.43 -0.29 -4.83 0.02 -1.26 -5.18 135.00 125.55 3men s PRO 97 Ca -0.09 2.08 -0.07 0.00 0.02 0.00 0.00 61.00 62.95 3men s PRO 97 Cb -0.00 -2.36 0.14 0.00 0.02 0.00 0.00 34.50 32.30 3men s PRO 97 CO 0.07 -0.91 0.61 1.21 -0.33 0.00 0.00 177.00 177.65 3men s ASN 98 N -1.05 -1.09 0.33 2.53 3.84 -1.26 -5.04 114.94 113.19 3men s ASN 98 Ca 0.67 1.31 0.26 0.00 0.21 0.00 0.00 52.86 55.31 3men s ASN 98 Cb -0.36 2.16 1.07 0.00 -0.55 0.00 0.00 41.25 43.56 3men s ASN 98 CO 0.44 -0.23 1.78 0.00 -2.79 0.00 0.00 177.10 176.29 3men h ALA 99 N 8.02 1.00 -5.16 1.71 0.00 -1.94 -3.47 119.26 119.43 3men h ALA 99 Ca -0.19 0.00 -0.36 0.00 0.00 0.00 0.00 54.91 54.36 3men h ALA 99 Cb 1.12 0.00 -0.06 0.00 0.00 0.00 0.00 17.79 18.85 3men h ALA 99 CO 0.15 0.00 -0.53 1.28 0.00 0.00 0.00 179.25 180.15 3men n LEU 100 N -2.44 -1.62 -4.41 0.00 4.77 -1.26 -4.96 117.00 107.08 3men n LEU 100 Ca 0.02 -0.31 -0.40 0.00 -0.03 0.00 0.00 56.01 55.29 3men n LEU 100 Cb 0.25 -2.21 -0.11 0.00 -2.33 0.00 0.00 43.42 39.02 3men n LEU 100 CO 0.22 0.13 -0.17 -0.13 -1.33 0.00 0.00 177.39 176.11 3men s ARG 101 N -5.86 3.06 0.00 3.23 0.52 -1.26 -4.78 118.95 113.86 3men s ARG 101 Ca 0.34 -0.92 0.00 0.00 -0.52 0.00 0.00 55.73 54.63 3men s ARG 101 Cb -0.18 -3.69 0.00 0.00 0.52 0.00 0.00 34.95 31.61 3men s ARG 101 CO 0.42 -0.58 0.00 0.41 0.02 0.00 0.00 175.30 175.57 3men n GLY 102 N 5.01 0.83 0.24 -3.53 0.00 -1.26 -4.43 105.19 102.05 3men n GLY 102 Ca -0.13 -1.76 -0.01 0.00 0.00 0.00 0.00 46.02 44.12 3men n GLY 102 CO 0.00 0.00 0.00 -0.24 0.00 0.00 0.00 173.32 173.08 3men h VAL 103 N 0.00 1.24 -0.27 1.61 3.04 -1.94 -1.27 116.25 118.65 3men h VAL 103 Ca 0.00 -1.09 -0.02 0.00 -1.01 0.00 0.00 66.70 64.58 3men h VAL 103 Cb 0.00 1.27 -0.01 0.00 -2.01 0.00 0.00 31.29 30.54 3men h VAL 103 CO 0.00 0.35 0.11 0.25 -1.01 0.00 0.00 177.57 177.26 3men h LEU 104 N 0.38 0.37 -1.06 3.16 5.85 -1.97 0.18 115.31 122.22 3men h LEU 104 Ca 0.06 -0.17 -0.06 0.00 0.84 0.00 0.00 57.88 58.56 3men h LEU 104 Cb 0.55 -0.10 -0.02 0.00 0.37 0.00 0.00 40.66 41.46 3men h LEU 104 CO 0.04 0.44 0.05 0.00 -0.34 0.00 0.00 178.44 178.62 3men h ALA 105 N 0.95 1.23 -0.33 1.25 0.00 -1.69 -2.33 119.26 118.34 3men h ALA 105 Ca 0.09 -0.22 -0.09 0.00 0.00 0.00 0.00 54.91 54.69 3men h ALA 105 Cb 0.18 -0.19 -0.01 0.00 0.00 0.00 0.00 17.79 17.77 3men h ALA 105 CO -0.01 0.52 -0.15 1.96 0.00 0.00 0.00 179.25 181.57 3men h GLN 106 N 0.69 0.69 -0.51 0.00 4.20 -0.93 -2.56 115.11 116.68 3men h GLN 106 Ca 0.14 -0.30 0.06 0.00 0.06 0.00 0.00 58.65 58.62 3men h GLN 106 Cb 0.35 -0.02 -0.03 0.00 0.30 0.00 0.00 27.48 28.08 3men h GLN 106 CO 0.01 0.89 0.34 0.00 -0.67 0.00 0.00 178.83 179.40 3men h ALA 107 N 0.78 1.91 -0.21 3.87 0.00 -0.57 -0.99 119.26 124.05 3men h ALA 107 Ca 0.07 -0.02 -0.07 0.00 0.00 0.00 0.00 54.91 54.90 3men h ALA 107 Cb 0.68 -0.11 -0.01 0.00 0.00 0.00 0.00 17.79 18.35 3men h ALA 107 CO 0.05 -0.00 -0.17 0.00 0.00 0.00 0.00 179.25 179.13 3men h ALA 108 N 1.73 1.34 0.11 0.00 0.00 -1.00 -1.55 119.26 119.88 3men h ALA 108 Ca 0.22 -0.26 -0.22 0.00 0.00 0.00 0.00 54.91 54.65 3men h ALA 108 Cb 0.32 -0.11 0.00 0.00 0.00 0.00 0.00 17.79 18.00 3men h ALA 108 CO -0.06 0.45 -1.06 -0.09 0.00 0.00 0.00 179.25 178.50 3men h ARG 109 N 0.32 0.22 -0.02 0.00 9.65 -1.29 -3.34 114.38 119.93 3men h ARG 109 Ca 0.06 -0.38 0.00 0.00 -1.10 0.00 0.00 59.98 58.56 3men h ARG 109 Cb 0.49 0.14 0.00 0.00 -1.39 0.00 0.00 29.97 29.21 3men h ARG 109 CO 0.03 1.18 -0.42 0.72 2.80 0.00 0.00 179.97 184.28 3men n HIS 110 N -4.10 0.00 -4.00 2.20 8.25 -0.42 -4.75 115.22 112.40 3men n HIS 110 Ca -0.20 0.00 -0.31 0.00 -0.26 0.00 0.00 57.72 56.95 3men n HIS 110 Cb 0.82 -0.00 -0.15 0.00 1.12 0.00 0.00 29.99 31.77 3men n HIS 110 CO 0.00 0.00 0.00 -0.51 0.64 0.00 0.00 176.34 176.47 3men s LEU 111 N -2.43 3.02 0.00 2.41 1.43 -0.59 -0.94 118.68 121.58 3men s LEU 111 Ca 0.20 -1.30 0.24 0.00 -1.03 0.00 0.00 54.13 52.24 3men s LEU 111 Cb 0.18 -1.36 0.23 0.00 0.03 0.00 0.00 46.19 45.27 3men s LEU 111 CO 0.54 -0.22 1.23 0.00 0.23 0.00 0.00 176.35 178.14 3men n ALA 112 N 4.55 3.51 -3.84 4.21 0.00 -0.91 -4.77 120.51 123.26 3men n ALA 112 Ca -0.13 -0.56 -0.04 0.00 0.00 0.00 0.00 53.44 52.71 3men n ALA 112 Cb 0.43 -0.91 0.01 0.00 0.00 0.00 0.00 19.45 18.98 3men n ALA 112 CO 0.00 0.00 0.00 -0.40 0.00 0.00 0.00 177.50 177.10 3men n ASP 113 N -0.38 -1.99 -0.88 0.00 5.68 -1.26 -5.03 116.55 112.70 3men n ASP 113 Ca 0.10 -2.64 0.04 0.00 -0.50 0.00 0.00 54.79 51.78 3men n ASP 113 Cb 0.42 3.39 0.15 0.00 -1.14 0.00 0.00 41.12 43.94 3men n ASP 113 CO 0.00 0.00 0.00 0.61 -1.33 0.00 0.00 177.20 176.48 3men n GLY 114 N -0.53 1.46 0.87 6.12 0.00 -1.25 -4.06 105.19 107.80 3men n GLY 114 Ca -0.06 -0.36 0.02 0.00 0.00 0.00 0.00 46.02 45.62 3men n GLY 114 CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76 3men n SER 115 N 0.31 2.65 -2.73 1.61 7.64 -1.26 -1.27 113.62 120.58 3men n SER 115 Ca 0.11 -3.53 -0.11 0.00 1.01 0.00 0.00 58.87 56.35 3men n SER 115 Cb 0.49 -0.57 0.02 0.00 -1.01 0.00 0.00 64.21 63.14 3men n SER 115 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 3men s PRO 117 N -3.04 4.10 -0.34 0.00 0.04 -1.26 -4.89 135.00 129.61 3men s PRO 117 Ca 0.30 2.58 -0.08 0.00 0.04 0.00 0.00 61.00 63.84 3men s PRO 117 Cb 0.44 -2.97 0.03 0.00 0.04 0.00 0.00 34.50 32.04 3men s PRO 117 CO 0.02 -0.56 0.13 0.08 0.04 0.00 0.00 177.00 176.71 3men s VAL 118 N -0.95 4.06 0.10 -0.36 1.01 -0.40 -4.94 120.40 118.94 3men s VAL 118 Ca 0.54 -0.97 0.01 0.00 0.00 0.00 0.00 61.98 61.56 3men s VAL 118 Cb -0.47 -3.26 0.02 0.00 0.00 0.00 0.00 36.38 32.67 3men s VAL 118 CO 0.61 -0.15 0.14 0.61 0.00 0.00 0.00 175.10 176.31 3men n GLY 119 N 4.88 1.18 0.28 4.51 0.00 -1.26 -1.53 105.19 113.24 3men n GLY 119 Ca -0.13 -2.03 -0.01 0.00 0.00 0.00 0.00 46.02 43.86 3men n GLY 119 CO 0.00 0.00 0.00 -2.09 0.00 0.00 0.00 173.32 171.23 3men h GLU 120 N 0.00 0.59 -0.33 1.61 4.81 -1.96 -3.02 114.58 116.27 3men h GLU 120 Ca -0.05 -0.13 0.00 0.00 -0.13 0.00 0.00 59.36 59.06 3men h GLU 120 Cb 0.19 -0.08 0.00 0.00 0.63 0.00 0.00 28.75 29.49 3men h GLU 120 CO 0.06 0.60 0.00 0.72 -0.73 0.00 0.00 179.01 179.65 3men n HIS 121 N -4.28 0.44 0.19 0.92 8.25 -1.26 -4.73 115.22 114.75 3men n HIS 121 Ca 0.02 -0.38 -0.14 0.00 -0.26 0.00 0.00 57.72 56.95 3men n HIS 121 Cb 0.24 -0.02 -0.08 0.00 1.12 0.00 0.00 29.99 31.26 3men n HIS 121 CO 0.00 0.00 0.00 1.15 0.64 0.00 0.00 176.34 178.13 3men h THR 122 N 2.54 0.68 -0.26 1.59 2.02 -1.86 0.10 112.91 117.73 3men h THR 122 Ca 0.00 -0.31 0.05 0.00 0.77 0.00 0.00 66.41 66.91 3men h THR 122 Cb 0.74 0.85 -0.04 0.00 -1.74 0.00 0.00 68.15 67.95 3men h THR 122 CO 0.00 0.06 -0.01 -0.25 0.37 0.00 0.00 175.52 175.69 3men h TRP 123 N -0.62 -0.03 -0.32 3.16 2.91 -1.82 0.25 115.95 119.46 3men h TRP 123 Ca -0.05 0.02 0.06 0.00 1.13 0.00 0.00 58.89 60.06 3men h TRP 123 Cb 0.45 0.05 -0.06 0.00 -0.51 0.00 0.00 29.16 29.10 3men h TRP 123 CO -0.01 -0.05 -0.07 -0.09 -1.03 0.00 0.00 178.44 177.19 3men h ARG 124 N 0.07 0.01 -0.32 2.65 2.43 -1.86 0.21 114.38 117.57 3men h ARG 124 Ca 0.12 -0.00 -0.03 0.00 -0.81 0.00 0.00 59.98 59.27 3men h ARG 124 Cb 0.17 -0.00 -0.01 0.00 -0.42 0.00 0.00 29.97 29.70 3men h ARG 124 CO -0.22 0.01 0.09 0.00 -1.51 0.00 0.00 179.97 178.34 3men h ALA 125 N 1.31 0.42 -0.55 2.80 0.00 -0.65 -2.52 119.26 120.07 3men h ALA 125 Ca 0.15 -0.16 0.02 0.00 0.00 0.00 0.00 54.91 54.92 3men h ALA 125 Cb 0.23 -0.12 -0.03 0.00 0.00 0.00 0.00 17.79 17.87 3men h ALA 125 CO -0.32 0.07 0.35 0.00 0.00 0.00 0.00 179.25 179.35 3men h ALA 126 N 0.93 0.71 -0.19 0.00 0.00 -0.23 -1.19 119.26 119.29 3men h ALA 126 Ca 0.10 -0.02 0.04 0.00 0.00 0.00 0.00 54.91 55.03 3men h ALA 126 Cb 0.26 -0.19 -0.04 0.00 0.00 0.00 0.00 17.79 17.82 3men h ALA 126 CO -0.00 0.09 -0.09 -0.92 0.00 0.00 0.00 179.25 178.33 3men h TYR 127 N 0.70 -0.22 0.00 0.00 3.20 -0.40 -1.60 116.97 118.65 3men h TYR 127 Ca 0.21 0.02 -0.06 0.00 3.14 0.00 0.00 58.73 62.04 3men h TYR 127 Cb -0.02 0.13 -0.01 0.00 1.54 0.00 0.00 36.73 38.37 3men h TYR 127 CO -0.05 -0.15 -0.29 -1.49 -1.64 0.00 0.00 178.16 174.54 3men h TRP 128 N -0.07 0.00 -0.32 -3.82 4.06 -1.32 -1.41 115.95 113.07 3men h TRP 128 Ca 0.10 0.00 -0.16 0.00 2.06 0.00 0.00 58.89 60.90 3men h TRP 128 Cb 0.23 0.00 -0.00 0.00 -1.00 0.00 0.00 29.16 28.39 3men h TRP 128 CO -0.25 0.29 -0.42 1.03 -3.56 0.00 0.00 178.44 175.54 3men h SER 129 N 0.00 0.92 -0.94 -3.49 0.87 -0.88 -1.92 113.55 108.11 3men h SER 129 Ca -0.00 -0.50 -0.01 0.00 -1.23 0.00 0.00 61.79 60.05 3men h SER 129 Cb 0.64 -0.26 -0.04 0.00 -0.44 0.00 0.00 62.40 62.30 3men h SER 129 CO 0.04 1.23 0.55 0.00 -0.53 0.00 0.00 176.83 178.12 3men h ALA 130 N 0.71 1.20 -0.46 6.23 0.00 -1.00 -2.65 119.26 123.29 3men h ALA 130 Ca 0.04 -0.11 -0.03 0.00 0.00 0.00 0.00 54.91 54.81 3men h ALA 130 Cb 1.01 -0.38 -0.02 0.00 0.00 0.00 0.00 17.79 18.40 3men h ALA 130 CO 0.10 0.67 0.17 1.96 0.00 0.00 0.00 179.25 182.15 3men h GLN 131 N 1.30 0.66 -0.29 0.00 1.08 -1.03 -0.44 115.11 116.38 3men h GLN 131 Ca 0.33 -0.09 -0.00 0.00 -1.45 0.00 0.00 58.65 57.44 3men h GLN 131 Cb -0.03 -0.12 -0.01 0.00 -0.05 0.00 0.00 27.48 27.26 3men h GLN 131 CO -0.06 0.55 0.18 0.77 -0.95 0.00 0.00 178.83 179.32 3men h SER 132 N 0.65 0.35 -0.46 1.46 0.02 -1.09 0.26 113.55 114.75 3men h SER 132 Ca 0.16 -0.05 0.08 0.00 -0.84 0.00 0.00 61.79 61.14 3men h SER 132 Cb 0.15 -0.09 -0.07 0.00 0.14 0.00 0.00 62.40 62.54 3men h SER 132 CO -0.01 0.29 0.06 0.00 -1.14 0.00 0.00 176.83 176.03 3men h ALA 133 N 1.07 0.48 -0.65 3.77 0.00 -1.13 -0.99 119.26 121.81 3men h ALA 133 Ca 0.10 0.11 -0.08 0.00 0.00 0.00 0.00 54.91 55.04 3men h ALA 133 Cb 0.00 0.16 -0.03 0.00 0.00 0.00 0.00 17.79 17.93 3men h ALA 133 CO -0.02 -0.34 0.09 -0.07 0.00 0.00 0.00 179.25 178.91 3men h LEU 134 N 0.19 1.04 -0.36 0.00 3.38 -0.65 0.67 115.31 119.57 3men h LEU 134 Ca 0.23 -0.27 -0.01 0.00 0.09 0.00 0.00 57.88 57.92 3men h LEU 134 Cb 0.31 -0.28 -0.02 0.00 0.09 0.00 0.00 40.66 40.77 3men h LEU 134 CO -0.32 1.04 0.18 0.00 0.09 0.00 0.00 178.44 179.43 3men h ALA 135 N 1.03 0.47 -0.37 1.53 0.00 -0.38 0.38 119.26 121.92 3men h ALA 135 Ca 0.20 -0.10 -0.02 0.00 0.00 0.00 0.00 54.91 54.98 3men h ALA 135 Cb 0.45 -0.14 -0.02 0.00 0.00 0.00 0.00 17.79 18.08 3men h ALA 135 CO 0.02 0.02 0.14 0.00 0.00 0.00 0.00 179.25 179.42 3men h ALA 136 N 1.04 0.49 -0.60 0.00 0.00 -0.92 -1.70 119.26 117.56 3men h ALA 136 Ca 0.13 -0.15 0.02 0.00 0.00 0.00 0.00 54.91 54.91 3men h ALA 136 Cb 0.10 -0.15 -0.04 0.00 0.00 0.00 0.00 17.79 17.71 3men h ALA 136 CO -0.02 0.10 0.38 0.00 0.00 0.00 0.00 179.25 179.71 3men h ALA 137 N 0.98 0.77 -0.39 0.00 0.00 -0.65 -2.54 119.26 117.43 3men h ALA 137 Ca 0.12 -0.02 0.05 0.00 0.00 0.00 0.00 54.91 55.06 3men h ALA 137 Cb 0.21 -0.20 -0.04 0.00 0.00 0.00 0.00 17.79 17.76 3men h ALA 137 CO -0.01 0.13 0.14 0.00 0.00 0.00 0.00 179.25 179.51 3men h ALA 138 N 1.25 0.46 -0.51 0.00 0.00 -0.03 0.13 119.26 120.54 3men h ALA 138 Ca 0.23 0.05 0.03 0.00 0.00 0.00 0.00 54.91 55.22 3men h ALA 138 Cb -0.02 0.02 -0.04 0.00 0.00 0.00 0.00 17.79 17.76 3men h ALA 138 CO -0.08 -0.25 0.29 0.00 0.00 0.00 0.00 179.25 179.21 3men h ALA 139 N 1.25 0.66 -0.01 0.00 0.00 -1.09 -1.32 119.26 118.75 3men h ALA 139 Ca 0.18 -0.00 -0.02 0.00 0.00 0.00 0.00 54.91 55.07 3men h ALA 139 Cb 0.16 -0.13 0.00 0.00 0.00 0.00 0.00 17.79 17.83 3men h ALA 139 CO -0.18 -0.02 -0.07 0.28 0.00 0.00 0.00 179.25 179.26 3men h VAL 140 N 0.58 1.52 -0.94 0.00 2.07 -1.25 -1.53 116.25 116.69 3men h VAL 140 Ca 0.21 -1.62 0.28 0.00 0.82 0.00 0.00 66.70 66.39 3men h VAL 140 Cb 0.05 2.56 -0.16 0.00 -1.52 0.00 0.00 31.29 32.23 3men h VAL 140 CO -0.11 0.43 0.29 -0.09 0.02 0.00 0.00 177.57 178.11 3men h ARG 141 N -0.57 0.15 -0.00 1.57 2.43 -0.68 -0.52 114.38 116.76 3men h ARG 141 Ca -0.00 -0.01 0.00 0.00 -0.81 0.00 0.00 59.98 59.16 3men h ARG 141 Cb 0.74 -0.03 0.00 0.00 -0.42 0.00 0.00 29.97 30.26 3men h ARG 141 CO 0.01 0.10 -0.09 -0.25 -1.51 0.00 0.00 179.97 178.24 3men n ASP 142 N -5.26 0.18 0.00 -3.80 8.00 -0.51 -4.89 116.55 110.27 3men n ASP 142 Ca 0.26 -0.05 0.00 0.00 0.71 0.00 0.00 54.79 55.71 3men n ASP 142 Cb 0.84 -0.24 0.00 0.00 -0.02 0.00 0.00 41.12 41.70 3men n ASP 142 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 3men n GLY 143 N 1.38 0.79 3.74 0.44 0.00 -0.20 -5.09 105.19 106.25 3men n GLY 143 Ca 0.11 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.71 3men n GLY 143 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3men s ALA 144 N -0.08 3.64 0.39 4.61 0.00 -0.60 -4.90 121.76 124.83 3men s ALA 144 Ca 0.00 1.32 0.24 0.00 0.00 0.00 0.00 51.96 53.53 3men s ALA 144 Cb 0.00 -3.56 1.28 0.00 0.00 0.00 0.00 23.12 20.84 3men s ALA 144 CO 0.00 -0.74 2.02 -1.00 0.00 0.00 0.00 175.76 176.04 3men h PRO 145 N 5.32 0.00 -2.52 0.00 0.13 -1.89 -3.37 132.00 129.67 3men h PRO 145 Ca -0.45 0.00 -0.06 0.00 -0.87 0.00 0.00 66.00 64.62 3men h PRO 145 Cb 1.22 0.00 -0.17 0.00 0.13 0.00 0.00 31.00 32.17 3men h PRO 145 CO 0.80 0.16 0.09 0.00 -0.23 0.00 0.00 178.00 178.82 3men s ALA 146 N -4.19 -1.48 0.03 -0.56 0.00 -1.26 -1.33 121.76 112.98 3men s ALA 146 Ca -0.03 0.84 -0.13 0.00 0.00 0.00 0.00 51.96 52.65 3men s ALA 146 Cb 0.13 0.26 0.02 0.00 0.00 0.00 0.00 23.12 23.53 3men s ALA 146 CO 0.61 -0.46 0.28 0.00 0.00 0.00 0.00 175.76 176.20 3men s ALA 147 N -2.00 -0.65 -0.30 0.00 0.00 -1.00 -4.41 121.76 113.40 3men s ALA 147 Ca -0.08 0.04 -0.08 0.00 0.00 0.00 0.00 51.96 51.84 3men s ALA 147 Cb -0.01 0.25 0.00 0.00 0.00 0.00 0.00 23.12 23.36 3men s ALA 147 CO 0.02 -0.36 0.10 -0.47 0.00 0.00 0.00 175.76 175.05 3men s TYR 148 N -2.23 3.15 -0.43 0.00 5.04 -0.07 -1.18 117.35 121.63 3men s TYR 148 Ca -0.07 -0.83 -0.24 0.00 -2.44 0.00 0.00 57.07 53.49 3men s TYR 148 Cb -0.02 -2.28 0.02 0.00 0.35 0.00 0.00 41.96 40.03 3men s TYR 148 CO -0.01 -0.53 0.84 0.00 -1.34 0.00 0.00 175.55 174.51 3men s ALA 149 N 1.54 3.31 -1.25 3.97 0.00 0.13 -1.27 121.76 128.20 3men s ALA 149 Ca 0.03 -0.81 -0.11 0.00 0.00 0.00 0.00 51.96 51.08 3men s ALA 149 Cb -0.17 -3.51 0.17 0.00 0.00 0.00 0.00 23.12 19.61 3men s ALA 149 CO 0.04 -1.85 1.70 -0.11 0.00 0.00 0.00 175.76 175.54 3men n LEU 150 N 6.81 6.07 -4.74 0.00 0.00 -0.43 -1.73 117.00 122.98 3men n LEU 150 Ca 0.04 -4.57 -0.41 0.00 0.00 0.00 0.00 56.01 51.07 3men n LEU 150 Cb 0.48 -1.53 -0.04 0.00 0.00 0.00 0.00 43.42 42.33 3men n LEU 150 CO 0.59 1.11 0.77 0.00 0.00 0.00 0.00 177.39 179.87 3men s ARG 152 N -0.57 0.26 0.69 0.00 3.00 -1.26 -4.48 118.95 116.58 3men s ARG 152 Ca 0.48 0.61 -0.16 0.00 -1.00 0.00 0.00 55.73 55.65 3men s ARG 152 Cb -0.29 0.36 0.02 0.00 0.00 0.00 0.00 34.95 35.04 3men s ARG 152 CO 0.35 -0.14 1.23 -1.25 0.00 0.00 0.00 175.30 175.49 3men s PRO 153 N 2.53 2.37 1.18 5.12 0.04 -1.26 -4.56 135.00 140.42 3men s PRO 153 Ca -0.01 1.85 -0.17 0.00 0.04 0.00 0.00 61.00 62.71 3men s PRO 153 Cb -0.07 -1.85 0.27 0.00 0.04 0.00 0.00 34.50 32.90 3men s PRO 153 CO -0.16 -1.68 1.08 -1.25 0.04 0.00 0.00 177.00 175.02 3men s PRO 154 N -3.69 -1.01 0.00 0.56 0.04 -1.26 -4.90 135.00 124.74 3men s PRO 154 Ca 0.77 0.18 0.00 0.00 0.04 0.00 0.00 61.00 61.98 3men s PRO 154 Cb -0.31 -1.60 0.00 0.00 0.04 0.00 0.00 34.50 32.63 3men s PRO 154 CO 0.42 -3.62 0.00 0.41 0.04 0.00 0.00 177.00 174.25 3men n GLY 155 N -0.55 0.00 0.02 0.56 0.00 -1.26 -3.86 105.19 100.10 3men n GLY 155 Ca 0.10 0.00 0.09 0.00 0.00 0.00 0.00 46.02 46.21 3men n GLY 155 CO 0.00 0.00 0.00 -2.39 0.00 0.00 0.00 173.32 170.93 3men n HIS 156 N -0.74 0.14 1.30 1.61 1.44 -1.26 -1.27 115.22 116.44 3men n HIS 156 Ca 0.00 0.05 0.13 0.00 -2.01 0.00 0.00 57.72 55.89 3men n HIS 156 Cb 0.03 -0.58 0.39 0.00 0.12 0.00 0.00 29.99 29.95 3men n HIS 156 CO 0.00 0.00 0.00 0.72 -2.81 0.00 0.00 176.34 174.25 3men n HIS 157 N -1.63 0.00 -2.72 -1.40 8.25 -1.26 -1.17 115.22 115.29 3men n HIS 157 Ca 0.04 0.00 -0.43 0.00 -0.26 0.00 0.00 57.72 57.08 3men n HIS 157 Cb 0.22 -0.08 -0.03 0.00 1.12 0.00 0.00 29.99 31.23 3men n HIS 157 CO 0.00 0.00 0.00 0.00 0.64 0.00 0.00 176.34 176.98 3men s ALA 158 N -2.34 3.63 0.74 -1.41 0.00 -0.40 -4.15 121.76 117.83 3men s ALA 158 Ca 0.28 0.14 -0.07 0.00 0.00 0.00 0.00 51.96 52.31 3men s ALA 158 Cb 0.20 -3.47 0.09 0.00 0.00 0.00 0.00 23.12 19.95 3men s ALA 158 CO 0.46 -0.94 1.05 1.03 0.00 0.00 0.00 175.76 177.36 3men s ARG 159 N 2.91 1.87 0.27 0.00 0.52 -0.35 -4.33 118.95 119.84 3men s ARG 159 Ca 0.43 -0.47 -0.01 0.00 -0.52 0.00 0.00 55.73 55.16 3men s ARG 159 Cb -0.16 -2.17 0.61 0.00 0.52 0.00 0.00 34.95 33.76 3men s ARG 159 CO 0.08 -1.43 1.67 0.28 0.02 0.00 0.00 175.30 175.92 3men h VAL 160 N -0.71 0.41 -0.18 3.52 2.07 -1.86 -3.22 116.25 116.28 3men h VAL 160 Ca -0.43 -0.09 -0.19 0.00 0.82 0.00 0.00 66.70 66.81 3men h VAL 160 Cb 1.29 0.13 -0.29 0.00 -1.52 0.00 0.00 31.29 30.90 3men h VAL 160 CO 0.53 0.05 -0.88 -0.90 0.02 0.00 0.00 177.57 176.38 3men n ASP 161 N -5.18 1.80 -3.63 0.57 5.75 -1.26 -1.72 116.55 112.88 3men n ASP 161 Ca 0.19 -2.74 -0.14 0.00 -0.01 0.00 0.00 54.79 52.09 3men n ASP 161 Cb 0.59 -0.40 -0.07 0.00 -1.03 0.00 0.00 41.12 40.21 3men n ASP 161 CO 0.00 0.00 0.00 0.00 -0.11 0.00 0.00 177.20 177.09 3men s ALA 162 N -2.07 -1.75 0.93 2.12 0.00 -1.22 -4.39 121.76 115.38 3men s ALA 162 Ca 0.36 2.01 -0.13 0.00 0.00 0.00 0.00 51.96 54.19 3men s ALA 162 Cb 0.37 -1.17 0.15 0.00 0.00 0.00 0.00 23.12 22.48 3men s ALA 162 CO -0.09 -0.34 1.16 0.00 0.00 0.00 0.00 175.76 176.49 3men s ALA 163 N 0.40 1.81 0.00 0.00 0.00 -0.12 -1.22 121.76 122.64 3men s ALA 163 Ca -0.00 -0.64 0.00 0.00 0.00 0.00 0.00 51.96 51.32 3men s ALA 163 Cb -0.05 -2.99 0.00 0.00 0.00 0.00 0.00 23.12 20.08 3men s ALA 163 CO 0.01 -2.35 0.00 0.41 0.00 0.00 0.00 175.76 173.83 3men n GLY 164 N -2.38 2.18 3.63 0.00 0.00 -0.36 -2.13 105.19 106.13 3men n GLY 164 Ca 0.08 -0.26 -0.22 0.00 0.00 0.00 0.00 46.02 45.62 3men n GLY 164 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3men n GLY 165 N -0.42 -0.38 2.65 -0.02 0.00 -1.24 -0.83 105.19 104.95 3men n GLY 165 Ca 0.00 0.15 0.00 0.00 0.00 0.00 0.00 46.02 46.17 3men n GLY 165 CO 0.00 0.00 0.00 0.69 0.00 0.00 0.00 173.32 174.01 3men n PHE 166 N -4.40 0.00 -4.55 1.61 3.72 0.86 -4.85 117.46 109.86 3men n PHE 166 Ca -0.20 0.00 -0.31 0.00 -0.05 0.00 0.00 57.45 56.89 3men n PHE 166 Cb 0.64 -0.94 -0.11 0.00 -0.94 0.00 0.00 39.48 38.12 3men n PHE 166 CO 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 176.76 176.71 3men n TYR 168 N 1.53 0.00 -4.42 0.00 4.01 -1.25 -1.22 117.16 115.80 3men n TYR 168 Ca -0.16 0.00 -0.21 0.00 -0.16 0.00 0.00 57.90 57.38 3men n TYR 168 Cb 0.52 0.00 -0.15 0.00 -0.31 0.00 0.00 39.34 39.40 3men n TYR 168 CO 0.00 0.00 0.00 -0.51 -0.46 0.00 0.00 176.86 175.89 3men s LEU 169 N -4.38 1.81 -1.20 7.72 1.43 -1.26 -4.65 118.68 118.14 3men s LEU 169 Ca 0.00 -0.20 -0.17 0.00 -1.03 0.00 0.00 54.13 52.73 3men s LEU 169 Cb 0.00 -0.58 0.11 0.00 0.03 0.00 0.00 46.19 45.75 3men s LEU 169 CO 0.00 0.07 1.55 0.21 0.23 0.00 0.00 176.35 178.41 3men s ASN 170 N 0.16 6.85 0.26 2.29 3.84 -1.25 -4.15 114.94 122.94 3men s ASN 170 Ca -0.03 -2.46 -0.03 0.00 0.21 0.00 0.00 52.86 50.56 3men s ASN 170 Cb -0.08 -2.51 0.54 0.00 -0.55 0.00 0.00 41.25 38.65 3men s ASN 170 CO 0.01 -1.07 1.67 0.78 -2.79 0.00 0.00 177.10 175.70 3men h ASN 171 N 7.84 -0.01 -0.43 -4.21 2.35 -1.89 -0.39 115.58 118.84 3men h ASN 171 Ca 0.35 0.16 -0.10 0.00 -0.55 0.00 0.00 56.30 56.17 3men h ASN 171 Cb 0.90 0.23 -0.01 0.00 0.05 0.00 0.00 38.32 39.49 3men h ASN 171 CO 1.36 -0.08 -0.11 0.00 -1.65 0.00 0.00 177.43 176.95 3men h ALA 172 N 1.67 0.60 -0.45 -0.83 0.00 -1.89 -0.25 119.26 118.11 3men h ALA 172 Ca 0.46 -0.33 -0.10 0.00 0.00 0.00 0.00 54.91 54.93 3men h ALA 172 Cb 0.83 -0.15 -0.02 0.00 0.00 0.00 0.00 17.79 18.45 3men h ALA 172 CO -0.56 0.49 -0.14 0.00 0.00 0.00 0.00 179.25 179.03 3men h ALA 173 N 0.86 0.91 -0.36 0.00 0.00 -1.75 -0.01 119.26 118.91 3men h ALA 173 Ca 0.11 -0.34 -0.02 0.00 0.00 0.00 0.00 54.91 54.66 3men h ALA 173 Cb 0.65 -0.17 -0.02 0.00 0.00 0.00 0.00 17.79 18.25 3men h ALA 173 CO 0.04 0.63 0.15 0.82 0.00 0.00 0.00 179.25 180.89 3men h ILE 174 N 0.75 1.18 -0.63 0.00 2.04 -0.67 -1.39 117.51 118.78 3men h ILE 174 Ca 0.12 -0.54 0.02 0.00 1.00 0.00 0.00 64.86 65.46 3men h ILE 174 Cb 0.65 0.88 -0.04 0.00 -0.74 0.00 0.00 36.82 37.57 3men h ILE 174 CO 0.05 0.19 0.40 0.00 0.00 0.00 0.00 178.15 178.79 3men h ALA 175 N 1.00 0.82 -0.42 1.87 0.00 -0.94 -1.73 119.26 119.85 3men h ALA 175 Ca 0.12 -0.03 -0.01 0.00 0.00 0.00 0.00 54.91 54.99 3men h ALA 175 Cb 0.16 -0.22 -0.02 0.00 0.00 0.00 0.00 17.79 17.71 3men h ALA 175 CO -0.01 0.18 0.22 0.00 0.00 0.00 0.00 179.25 179.64 3men h ALA 176 N 1.26 0.54 -0.71 0.00 0.00 -0.67 -1.58 119.26 118.09 3men h ALA 176 Ca 0.25 -0.09 -0.04 0.00 0.00 0.00 0.00 54.91 55.02 3men h ALA 176 Cb -0.03 -0.17 -0.03 0.00 0.00 0.00 0.00 17.79 17.56 3men h ALA 176 CO -0.08 0.08 0.28 0.37 0.00 0.00 0.00 179.25 179.90 3men h GLN 177 N 0.55 1.07 -0.75 0.00 5.75 -1.12 -1.94 115.11 118.66 3men h GLN 177 Ca 0.15 -0.19 0.07 0.00 -0.15 0.00 0.00 58.65 58.52 3men h GLN 177 Cb 0.07 -0.17 -0.06 0.00 1.07 0.00 0.00 27.48 28.39 3men h GLN 177 CO -0.02 0.88 0.44 0.00 -2.65 0.00 0.00 178.83 177.48 3men h ALA 178 N 1.14 1.03 0.00 3.38 0.00 -1.19 -2.73 119.26 120.89 3men h ALA 178 Ca 0.24 0.01 -0.03 0.00 0.00 0.00 0.00 54.91 55.13 3men h ALA 178 Cb 0.21 -0.16 -0.00 0.00 0.00 0.00 0.00 17.79 17.84 3men h ALA 178 CO -0.02 0.12 -0.16 -0.07 0.00 0.00 0.00 179.25 179.13 3men h LEU 179 N 0.79 0.00 -1.60 0.00 3.38 -0.84 -2.84 115.31 114.20 3men h LEU 179 Ca 0.34 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.31 3men h LEU 179 Cb 0.22 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.97 3men h LEU 179 CO -0.19 0.16 0.00 0.03 0.09 0.00 0.00 178.44 178.52 3men h ARG 180 N 0.00 0.00 0.00 1.13 2.47 -1.03 0.49 114.38 117.43 3men h ARG 180 Ca -0.00 0.00 -0.05 0.00 -1.26 0.00 0.00 59.98 58.67 3men h ARG 180 Cb 0.31 0.00 -0.01 0.00 -1.65 0.00 0.00 29.97 28.63 3men h ARG 180 CO 0.02 0.00 -0.22 0.00 0.56 0.00 0.00 179.97 180.33 3men h ALA 181 N 2.07 1.46 0.00 0.04 0.00 -1.60 -3.31 119.26 117.92 3men h ALA 181 Ca 0.00 -0.20 -0.13 0.00 0.00 0.00 0.00 54.91 54.58 3men h ALA 181 Cb 0.26 -0.03 -0.02 0.00 0.00 0.00 0.00 17.79 17.99 3men h ALA 181 CO 0.00 0.27 -1.50 -2.13 0.00 0.00 0.00 179.25 175.89 3men n ARG 182 N -4.02 1.15 -4.34 0.00 3.00 -0.86 -5.01 116.66 106.58 3men n ARG 182 Ca -0.02 0.03 -0.34 0.00 -0.00 0.00 0.00 57.85 57.52 3men n ARG 182 Cb 0.29 -1.18 -0.11 0.00 0.00 0.00 0.00 32.46 31.46 3men n ARG 182 CO 0.00 0.00 0.00 -1.01 0.00 0.00 0.00 177.63 176.62 3men s HIS 183 N -2.18 3.10 0.30 -0.14 3.76 0.11 -5.01 115.29 115.22 3men s HIS 183 Ca -0.09 -0.08 0.04 0.00 -0.15 0.00 0.00 55.06 54.78 3men s HIS 183 Cb 0.03 -1.92 0.47 0.00 1.11 0.00 0.00 32.58 32.27 3men s HIS 183 CO 0.23 0.15 1.75 0.00 -0.85 0.00 0.00 174.74 176.03 3men h ALA 184 N 6.21 1.17 -3.17 -1.40 0.00 -1.87 -3.38 119.26 116.81 3men h ALA 184 Ca -0.38 -0.32 -0.53 0.00 0.00 0.00 0.00 54.91 53.67 3men h ALA 184 Cb 1.19 -0.12 -0.37 0.00 0.00 0.00 0.00 17.79 18.49 3men h ALA 184 CO 0.62 0.53 -0.81 1.03 0.00 0.00 0.00 179.25 180.62 3men s ARG 185 N -4.52 1.61 -0.05 0.00 0.52 -1.26 -4.82 118.95 110.43 3men s ARG 185 Ca -0.06 -0.29 0.05 0.00 -0.52 0.00 0.00 55.73 54.91 3men s ARG 185 Cb 0.14 -1.64 -0.01 0.00 0.52 0.00 0.00 34.95 33.96 3men s ARG 185 CO 0.78 -0.26 -0.21 0.08 0.02 0.00 0.00 175.30 175.70 3men s VAL 186 N 1.68 1.77 -0.03 3.52 1.01 -0.80 -0.14 120.40 127.42 3men s VAL 186 Ca 0.05 -0.91 0.03 0.00 0.00 0.00 0.00 61.98 61.15 3men s VAL 186 Cb -0.13 -1.51 -0.03 0.00 0.00 0.00 0.00 36.38 34.72 3men s VAL 186 CO -0.08 0.50 -0.10 0.00 0.00 0.00 0.00 175.10 175.41 3men s ALA 187 N -0.08 2.86 -0.22 5.51 0.00 -0.64 -1.32 121.76 127.87 3men s ALA 187 Ca -0.03 -0.99 -0.03 0.00 0.00 0.00 0.00 51.96 50.91 3men s ALA 187 Cb -0.13 -1.07 0.00 0.00 0.00 0.00 0.00 23.12 21.93 3men s ALA 187 CO 0.03 0.58 -0.08 0.08 0.00 0.00 0.00 175.76 176.37 3men s VAL 188 N -0.87 3.02 -0.19 0.00 1.01 -0.28 -0.31 120.40 122.78 3men s VAL 188 Ca 0.14 -0.67 -0.03 0.00 0.00 0.00 0.00 61.98 61.42 3men s VAL 188 Cb -0.11 -2.38 -0.01 0.00 0.00 0.00 0.00 36.38 33.88 3men s VAL 188 CO 0.04 0.41 -0.08 -0.22 0.00 0.00 0.00 175.10 175.25 3men s LEU 189 N 1.42 2.81 -0.29 3.92 2.96 -0.34 -1.56 118.68 127.61 3men s LEU 189 Ca 0.05 -0.38 -0.02 0.00 -0.22 0.00 0.00 54.13 53.56 3men s LEU 189 Cb -0.14 -1.69 0.04 0.00 0.50 0.00 0.00 46.19 44.90 3men s LEU 189 CO -0.06 0.04 -0.02 -0.62 -1.32 0.00 0.00 176.35 174.38 3men s ASP 190 N 1.12 4.74 0.00 3.68 -1.08 0.08 -0.87 116.67 124.33 3men s ASP 190 Ca 0.01 -1.14 0.14 0.00 -0.52 0.00 0.00 52.55 51.03 3men s ASP 190 Cb -0.15 -1.70 0.33 0.00 -1.46 0.00 0.00 42.92 39.95 3men s ASP 190 CO -0.02 -0.22 1.25 0.35 0.52 0.00 0.00 175.17 177.05 3men n THR 191 N 4.64 0.79 -1.53 1.71 -2.24 -0.65 -1.53 114.28 115.47 3men n THR 191 Ca -0.14 -0.89 -0.36 0.00 -2.27 0.00 0.00 64.05 60.38 3men n THR 191 Cb 0.44 0.67 0.07 0.00 -2.10 0.00 0.00 70.33 69.42 3men n THR 191 CO 0.00 0.00 0.00 -0.67 -0.57 0.00 0.00 175.07 173.83 3men n ASP 192 N 0.81 1.08 0.25 3.42 2.03 -1.23 -4.57 116.55 118.34 3men n ASP 192 Ca 0.14 0.75 0.16 0.00 0.52 0.00 0.00 54.79 56.36 3men n ASP 192 Cb 0.45 -1.46 0.88 0.00 -0.72 0.00 0.00 41.12 40.28 3men n ASP 192 CO 0.00 0.00 0.00 -0.03 -1.92 0.00 0.00 177.20 175.25 3men h MET 193 N 0.14 0.00 -6.29 -0.67 1.85 -1.82 -3.40 114.93 104.74 3men h MET 193 Ca -0.49 0.00 -0.67 0.00 -0.61 0.00 0.00 59.70 57.94 3men h MET 193 Cb 1.34 0.00 -0.15 0.00 0.43 0.00 0.00 31.60 33.22 3men h MET 193 CO 0.50 0.00 -0.68 -1.01 -0.40 0.00 0.00 176.91 175.32 3men s HIS 194 N -4.61 2.95 0.30 1.39 3.76 -1.26 -0.64 115.29 117.18 3men s HIS 194 Ca -0.05 -0.01 -0.29 0.00 -0.15 0.00 0.00 55.06 54.56 3men s HIS 194 Cb 0.15 -1.59 -0.10 0.00 1.11 0.00 0.00 32.58 32.14 3men s HIS 194 CO 0.54 0.43 1.42 -1.58 -0.85 0.00 0.00 174.74 174.69 3men s HIS 195 N -1.11 2.93 -1.33 1.40 5.65 -1.26 -4.88 115.29 116.68 3men s HIS 195 Ca 0.20 1.15 -0.10 0.00 0.25 0.00 0.00 55.06 56.55 3men s HIS 195 Cb -0.11 -3.83 0.13 0.00 -1.18 0.00 0.00 32.58 27.58 3men s HIS 195 CO 0.11 -2.56 1.99 0.41 -0.65 0.00 0.00 174.74 174.05 3men n GLY 196 N 1.47 4.69 0.34 1.59 0.00 -1.26 -4.65 105.19 107.38 3men n GLY 196 Ca 0.04 -1.96 0.17 0.00 0.00 0.00 0.00 46.02 44.27 3men n GLY 196 CO 0.00 0.00 0.00 0.06 0.00 0.00 0.00 173.32 173.38 3men h GLN 197 N 5.77 0.00 -0.15 1.61 -0.00 -1.89 -1.34 115.11 119.11 3men h GLN 197 Ca 0.45 0.00 -0.02 0.00 -0.00 0.00 0.00 58.65 59.09 3men h GLN 197 Cb 0.62 0.00 -0.01 0.00 -0.00 0.00 0.00 27.48 28.09 3men h GLN 197 CO 1.70 0.00 0.03 0.78 -0.00 0.00 0.00 178.83 181.33 3men h GLY 198 N 0.00 0.26 0.95 0.06 0.00 -1.30 -1.53 103.07 101.51 3men h GLY 198 Ca 0.12 -0.17 -0.04 0.00 0.00 0.00 0.00 47.33 47.24 3men h GLY 198 CO -0.00 0.16 0.13 -2.22 0.00 0.00 0.00 176.54 174.61 3men h ILE 199 N 0.03 1.22 -0.35 2.60 2.04 -1.16 -1.73 117.51 120.17 3men h ILE 199 Ca 0.05 -0.75 0.07 0.00 1.00 0.00 0.00 64.86 65.22 3men h ILE 199 Cb 0.29 0.88 -0.07 0.00 -0.74 0.00 0.00 36.82 37.18 3men h ILE 199 CO 0.00 0.27 -0.10 -0.61 0.00 0.00 0.00 178.15 177.71 3men h GLN 200 N 0.57 -0.02 -0.41 2.37 4.15 -1.31 -2.60 115.11 117.86 3men h GLN 200 Ca 0.14 0.00 -0.03 0.00 0.77 0.00 0.00 58.65 59.53 3men h GLN 200 Cb 0.28 0.00 -0.02 0.00 0.21 0.00 0.00 27.48 27.96 3men h GLN 200 CO -0.00 -0.01 0.14 1.49 -1.93 0.00 0.00 178.83 178.52 3men h GLU 201 N -0.02 0.62 -0.85 1.69 4.81 -1.10 -1.67 114.58 118.07 3men h GLU 201 Ca 0.17 -0.12 0.05 0.00 -0.13 0.00 0.00 59.36 59.32 3men h GLU 201 Cb 0.28 -0.10 -0.05 0.00 0.63 0.00 0.00 28.75 29.51 3men h GLU 201 CO -0.37 0.60 0.55 0.82 -0.73 0.00 0.00 179.01 179.89 3men h ILE 202 N 0.52 1.10 -0.25 2.32 2.04 -0.94 -2.67 117.51 119.62 3men h ILE 202 Ca 0.13 -0.34 0.00 0.00 1.00 0.00 0.00 64.86 65.65 3men h ILE 202 Cb 0.23 0.01 0.00 0.00 -0.74 0.00 0.00 36.82 36.32 3men h ILE 202 CO -0.01 0.18 0.00 0.49 0.00 0.00 0.00 178.15 178.82 3men n PHE 203 N -4.46 0.83 -0.22 1.37 3.72 -1.07 -4.76 117.46 112.86 3men n PHE 203 Ca 0.12 -0.83 -0.00 0.00 -0.05 0.00 0.00 57.45 56.68 3men n PHE 203 Cb 0.15 -0.27 0.22 0.00 -0.94 0.00 0.00 39.48 38.64 3men n PHE 203 CO 0.00 0.00 0.00 -0.92 -0.05 0.00 0.00 176.76 175.79 3men h TYR 204 N 1.72 0.97 -0.61 1.38 3.20 -0.93 -2.78 116.97 119.92 3men h TYR 204 Ca 0.00 0.01 -0.05 0.00 3.14 0.00 0.00 58.73 61.83 3men h TYR 204 Cb 1.33 -0.32 -0.03 0.00 1.54 0.00 0.00 36.73 39.24 3men h TYR 204 CO 0.43 0.64 0.06 0.00 -1.64 0.00 0.00 178.16 177.66 3men n ALA 205 N -2.42 4.05 -2.63 1.82 0.00 -1.26 -2.30 120.51 117.76 3men n ALA 205 Ca 0.08 -1.99 -0.21 0.00 0.00 0.00 0.00 53.44 51.32 3men n ALA 205 Cb 0.06 -1.16 -0.12 0.00 0.00 0.00 0.00 19.45 18.23 3men n ALA 205 CO 0.00 0.00 0.00 1.03 0.00 0.00 0.00 177.50 178.53 3men s ARG 206 N -2.80 0.96 0.00 0.00 0.52 -1.05 -3.35 118.95 113.24 3men s ARG 206 Ca 0.54 -1.04 0.02 0.00 -0.52 0.00 0.00 55.73 54.73 3men s ARG 206 Cb 0.42 -1.08 0.01 0.00 0.52 0.00 0.00 34.95 34.82 3men s ARG 206 CO 0.15 0.25 0.51 2.89 0.02 0.00 0.00 175.30 179.12 3men n ARG 207 N 1.22 -0.11 0.23 3.54 1.85 -1.26 -4.29 116.66 117.84 3men n ARG 207 Ca -0.20 -0.55 0.13 0.00 -1.00 0.00 0.00 57.85 56.23 3men n ARG 207 Cb 0.54 -0.99 0.31 0.00 -1.05 0.00 0.00 32.46 31.27 3men n ARG 207 CO 0.00 0.00 0.00 0.38 -0.01 0.00 0.00 177.63 178.00 3men h ASP 208 N 0.33 0.00 -3.60 2.89 2.03 -1.93 -3.41 116.42 112.72 3men h ASP 208 Ca 0.00 0.00 -0.61 0.00 -0.73 0.00 0.00 57.03 55.69 3men h ASP 208 Cb 0.07 0.00 -0.38 0.00 -0.83 0.00 0.00 39.33 38.19 3men h ASP 208 CO 0.00 0.00 -0.79 -0.69 -1.03 0.00 0.00 179.24 176.73 3men s VAL 209 N -3.33 1.59 0.26 4.15 1.01 -1.26 -1.90 120.40 120.93 3men s VAL 209 Ca 0.06 -1.19 -0.30 0.00 0.00 0.00 0.00 61.98 60.55 3men s VAL 209 Cb 0.06 -1.80 -0.09 0.00 0.00 0.00 0.00 36.38 34.55 3men s VAL 209 CO 0.63 -0.03 1.00 -0.22 0.00 0.00 0.00 175.10 176.48 3men s LEU 210 N 1.38 4.61 -0.08 3.92 2.96 -0.44 -4.92 118.68 126.11 3men s LEU 210 Ca -0.05 2.07 0.05 0.00 -0.22 0.00 0.00 54.13 55.98 3men s LEU 210 Cb -0.18 -3.63 -0.00 0.00 0.50 0.00 0.00 46.19 42.88 3men s LEU 210 CO -0.06 0.04 -0.24 -0.47 -1.32 0.00 0.00 176.35 174.29 3men s TYR 211 N -1.18 2.44 -0.05 5.38 5.04 -0.84 -1.12 117.35 127.02 3men s TYR 211 Ca 0.43 -0.88 0.01 0.00 -2.44 0.00 0.00 57.07 54.19 3men s TYR 211 Cb -0.28 -1.62 0.02 0.00 0.35 0.00 0.00 41.96 40.43 3men s TYR 211 CO 0.35 -0.32 -0.04 0.08 -1.34 0.00 0.00 175.55 174.29 3men s VAL 212 N 0.13 0.51 -0.06 3.14 1.01 -0.60 -0.37 120.40 124.16 3men s VAL 212 Ca -0.12 -0.09 0.02 0.00 0.00 0.00 0.00 61.98 61.79 3men s VAL 212 Cb -0.16 -0.56 0.02 0.00 0.00 0.00 0.00 36.38 35.68 3men s VAL 212 CO 0.06 0.23 -0.10 -0.55 0.00 0.00 0.00 175.10 174.75 3men s SER 213 N 1.06 1.54 -0.19 3.32 0.15 -0.50 -0.74 113.70 118.34 3men s SER 213 Ca -0.09 -0.25 -0.07 0.00 0.70 0.00 0.00 55.95 56.25 3men s SER 213 Cb -0.14 -0.71 -0.04 0.00 -1.71 0.00 0.00 66.02 63.42 3men s SER 213 CO -0.01 -0.00 0.05 -0.63 1.20 0.00 0.00 173.24 173.85 3men s ILE 214 N 0.81 4.60 0.27 6.45 1.01 -0.58 -0.32 121.20 133.43 3men s ILE 214 Ca -0.12 -0.10 -0.21 0.00 0.00 0.00 0.00 60.65 60.22 3men s ILE 214 Cb -0.15 -3.08 0.02 0.00 0.01 0.00 0.00 42.46 39.27 3men s ILE 214 CO 0.02 0.44 0.74 -1.38 0.00 0.00 0.00 174.94 174.76 3men s HIS 215 N 0.58 -0.18 0.35 3.97 -3.43 -1.17 -4.33 115.29 111.09 3men s HIS 215 Ca 0.02 -0.27 -0.27 0.00 -0.80 0.00 0.00 55.06 53.75 3men s HIS 215 Cb -0.13 0.71 -0.09 0.00 -1.43 0.00 0.00 32.58 31.63 3men s HIS 215 CO 0.01 -1.21 1.10 0.20 -2.00 0.00 0.00 174.74 172.85 3men s GLY 216 N -2.93 2.91 -0.41 -1.38 0.00 0.18 -1.25 107.32 104.45 3men s GLY 216 Ca 0.11 0.85 -0.38 0.00 0.00 0.00 0.00 44.72 45.31 3men s GLY 216 CO 0.07 1.38 1.36 1.34 0.00 0.00 0.00 173.10 177.24 3men n ASP 217 N 0.48 0.93 0.00 1.64 2.03 -0.24 -4.70 116.55 116.69 3men n ASP 217 Ca 0.02 0.91 0.10 0.00 0.52 0.00 0.00 54.79 56.34 3men n ASP 217 Cb 0.47 -0.72 0.61 0.00 -0.72 0.00 0.00 41.12 40.76 3men n ASP 217 CO 0.00 0.00 0.00 -2.65 -1.92 0.00 0.00 177.20 172.63 3men n PRO 218 N 3.64 0.84 -1.69 -0.67 -0.02 -1.26 -4.50 135.00 131.33 3men n PRO 218 Ca 0.28 0.00 -0.39 0.00 -2.02 0.00 0.00 63.50 61.37 3men n PRO 218 Cb -0.05 -1.38 -0.03 0.00 -0.02 0.00 0.00 33.50 32.02 3men n PRO 218 CO 0.00 0.00 0.00 0.99 1.98 0.00 0.00 175.50 178.47 3men s THR 219 N -2.00 3.11 -1.16 3.45 2.01 -1.26 -2.37 115.64 117.42 3men s THR 219 Ca 0.31 0.08 -0.04 0.00 0.31 0.00 0.00 61.69 62.35 3men s THR 219 Cb 0.14 -3.23 0.00 0.00 0.01 0.00 0.00 72.50 69.42 3men s THR 219 CO 0.24 -0.20 0.56 0.59 -0.69 0.00 0.00 174.62 175.12 3men n ASN 220 N 13.94 -5.14 -3.67 3.53 3.02 -1.26 -4.99 115.26 120.69 3men n ASN 220 Ca 0.31 -0.26 -0.09 0.00 -0.03 0.00 0.00 54.58 54.51 3men n ASN 220 Cb 0.51 -3.93 -0.10 0.00 -0.61 0.00 0.00 39.78 35.66 3men n ASN 220 CO 0.00 0.00 0.00 0.12 -2.62 0.00 0.00 177.26 174.76 3men s PHE 221 N -3.08 -0.76 0.18 3.10 5.36 -1.00 -5.04 117.98 116.75 3men s PHE 221 Ca 0.28 1.51 -0.33 0.00 -0.96 0.00 0.00 56.93 57.43 3men s PHE 221 Cb -0.12 0.34 -0.15 0.00 -0.34 0.00 0.00 43.02 42.74 3men s PHE 221 CO 0.35 -0.43 1.20 0.98 -1.46 0.00 0.00 175.22 175.85 3men n TYR 222 N 4.81 1.41 1.18 10.12 9.36 -1.26 -1.16 117.16 141.62 3men n TYR 222 Ca -0.16 0.65 0.09 0.00 3.32 0.00 0.00 57.90 61.79 3men n TYR 222 Cb 0.53 -2.30 0.31 0.00 -0.63 0.00 0.00 39.34 37.25 3men n TYR 222 CO 0.00 0.00 0.00 -0.35 0.22 0.00 0.00 176.86 176.73 3men n PRO 223 N 1.80 1.70 0.00 2.98 -0.04 -1.26 -4.43 135.00 135.75 3men n PRO 223 Ca 0.15 -1.07 0.00 0.00 -0.04 0.00 0.00 63.50 62.54 3men n PRO 223 Cb 0.25 -1.35 0.00 0.00 -0.04 0.00 0.00 33.50 32.37 3men n PRO 223 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 3men n ALA 224 N 0.31 0.00 0.31 0.55 0.00 -0.30 -4.39 120.51 116.99 3men n ALA 224 Ca 0.14 0.00 0.03 0.00 0.00 0.00 0.00 53.44 53.62 3men n ALA 224 Cb 0.30 0.00 -0.00 0.00 0.00 0.00 0.00 19.45 19.75 3men n ALA 224 CO 0.00 0.00 0.00 1.33 0.00 0.00 0.00 177.50 178.83 3men n VAL 225 N 0.00 0.00 -4.03 0.00 0.24 -1.26 -4.70 118.33 108.57 3men n VAL 225 Ca 0.00 -0.42 -0.10 0.00 -2.04 0.00 0.00 64.34 61.78 3men n VAL 225 Cb 0.00 1.08 -0.06 0.00 -1.47 0.00 0.00 33.84 33.38 3men n VAL 225 CO 0.00 0.00 0.00 0.00 -2.14 0.00 0.00 176.83 174.69 3men s ALA 226 N -1.14 0.07 0.00 2.33 0.00 -1.26 -4.96 121.76 116.79 3men s ALA 226 Ca 0.06 -1.04 0.00 0.00 0.00 0.00 0.00 51.96 50.97 3men s ALA 226 Cb 0.06 1.12 0.00 0.00 0.00 0.00 0.00 23.12 24.29 3men s ALA 226 CO 0.19 -0.78 0.00 0.41 0.00 0.00 0.00 175.76 175.58 3men n GLY 227 N -0.34 0.70 3.83 0.00 0.00 -1.26 -4.62 105.19 103.51 3men n GLY 227 Ca -0.01 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.69 3men n GLY 227 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 3men s PHE 228 N -2.00 3.31 -1.05 1.61 0.08 -1.26 -4.57 117.98 114.10 3men s PHE 228 Ca 0.00 1.45 0.19 0.00 0.12 0.00 0.00 56.93 58.69 3men s PHE 228 Cb 0.00 -2.85 0.83 0.00 -0.57 0.00 0.00 43.02 40.43 3men s PHE 228 CO 0.00 -0.71 1.61 -0.40 -0.10 0.00 0.00 175.22 175.62 3men n ASP 229 N -2.02 0.00 -0.40 1.36 5.68 -1.26 -2.18 116.55 117.72 3men n ASP 229 Ca 0.07 0.44 0.10 0.00 -0.50 0.00 0.00 54.79 54.91 3men n ASP 229 Cb 0.54 -0.47 0.44 0.00 -1.14 0.00 0.00 41.12 40.48 3men n ASP 229 CO 0.00 0.00 0.00 -0.90 -1.33 0.00 0.00 177.20 174.97 3men n ASP 230 N -1.47 1.20 -4.45 -1.12 5.68 -1.26 -4.67 116.55 110.46 3men n ASP 230 Ca 0.05 -1.61 -0.44 0.00 -0.50 0.00 0.00 54.79 52.29 3men n ASP 230 Cb 0.21 -0.07 -0.03 0.00 -1.14 0.00 0.00 41.12 40.09 3men n ASP 230 CO 0.00 0.00 0.00 -1.61 -1.33 0.00 0.00 177.20 174.26 3men s GLU 231 N -1.86 3.46 0.00 0.11 2.02 -0.93 -4.85 118.70 116.65 3men s GLU 231 Ca 0.32 -1.53 0.09 0.00 0.02 0.00 0.00 54.97 53.87 3men s GLU 231 Cb 0.17 -4.74 0.20 0.00 0.10 0.00 0.00 34.13 29.86 3men s GLU 231 CO 0.26 -1.77 1.08 0.54 0.02 0.00 0.00 175.26 175.39 3men n ARG 232 N 6.81 2.06 0.00 1.61 1.74 -1.26 -4.47 116.66 123.14 3men n ARG 232 Ca 0.16 -1.68 0.00 0.00 -0.77 0.00 0.00 57.85 55.56 3men n ARG 232 Cb 0.48 -1.22 0.00 0.00 -1.02 0.00 0.00 32.46 30.70 3men n ARG 232 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 3men n GLY 233 N 0.43 -1.79 3.24 -0.13 0.00 -1.26 -1.24 105.19 104.44 3men n GLY 233 Ca 0.09 -2.20 -0.11 0.00 0.00 0.00 0.00 46.02 43.80 3men n GLY 233 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3men s ALA 234 N -1.28 -0.61 0.00 4.61 0.00 -0.97 -4.57 121.76 118.94 3men s ALA 234 Ca 0.00 -0.10 0.00 0.00 0.00 0.00 0.00 51.96 51.86 3men s ALA 234 Cb 0.00 0.36 0.00 0.00 0.00 0.00 0.00 23.12 23.48 3men s ALA 234 CO 0.00 -0.43 0.00 0.41 0.00 0.00 0.00 175.76 175.74 3men n GLY 235 N 0.47 3.04 0.01 0.00 0.00 -1.26 -0.63 105.19 106.82 3men n GLY 235 Ca -0.18 -0.16 0.08 0.00 0.00 0.00 0.00 46.02 45.76 3men n GLY 235 CO 0.00 0.00 0.00 -1.84 0.00 0.00 0.00 173.32 171.48 3men n GLU 236 N 14.00 0.02 0.00 1.61 0.28 -1.26 -2.19 120.64 133.10 3men n GLU 236 Ca 0.00 0.24 0.16 0.00 -0.16 0.00 0.00 57.16 57.40 3men n GLU 236 Cb 0.00 -1.53 0.92 0.00 1.43 0.00 0.00 31.44 32.26 3men n GLU 236 CO 0.00 0.00 0.00 0.41 -0.16 0.00 0.00 177.13 177.38 3men n GLY 237 N 0.16 -1.04 3.67 -1.84 0.00 0.20 -4.27 105.19 102.07 3men n GLY 237 Ca 0.04 -0.19 -0.42 0.00 0.00 0.00 0.00 46.02 45.44 3men n GLY 237 CO 0.00 0.00 0.00 -2.27 0.00 0.00 0.00 173.32 171.05 3men s LEU 238 N -2.08 4.38 0.00 0.99 2.96 -0.93 -1.40 118.68 122.60 3men s LEU 238 Ca 0.45 2.48 0.00 0.00 -0.22 0.00 0.00 54.13 56.84 3men s LEU 238 Cb 0.22 -3.54 0.00 0.00 0.50 0.00 0.00 46.19 43.37 3men s LEU 238 CO 0.38 -0.97 0.00 0.61 -1.32 0.00 0.00 176.35 175.05 3men n GLY 239 N 4.26 0.55 0.12 7.98 0.00 -0.37 -4.96 105.19 112.76 3men n GLY 239 Ca 0.18 0.00 0.10 0.00 0.00 0.00 0.00 46.02 46.30 3men n GLY 239 CO 0.00 0.00 0.00 -1.72 0.00 0.00 0.00 173.32 171.60 3men n TYR 240 N -2.00 0.04 -3.84 1.61 4.01 -0.49 -4.90 117.16 111.59 3men n TYR 240 Ca 0.00 -1.01 -0.23 0.00 -0.16 0.00 0.00 57.90 56.50 3men n TYR 240 Cb 0.00 -0.16 -0.17 0.00 -0.31 0.00 0.00 39.34 38.70 3men n TYR 240 CO 0.00 0.00 0.00 1.21 -0.46 0.00 0.00 176.86 177.61 3men s ASN 241 N -2.86 1.56 -0.22 7.72 2.47 -1.24 -1.98 114.94 120.39 3men s ASN 241 Ca 0.33 -0.11 0.00 0.00 0.42 0.00 0.00 52.86 53.49 3men s ASN 241 Cb 0.28 -0.48 0.06 0.00 -1.45 0.00 0.00 41.25 39.66 3men s ASN 241 CO 0.03 -0.17 -0.04 -0.69 -3.72 0.00 0.00 177.10 172.51 3men s VAL 242 N 1.79 1.36 -0.14 -5.21 1.01 0.50 -4.29 120.40 115.43 3men s VAL 242 Ca 0.03 -1.07 -0.15 0.00 0.00 0.00 0.00 61.98 60.78 3men s VAL 242 Cb -0.13 -1.64 -0.04 0.00 0.00 0.00 0.00 36.38 34.57 3men s VAL 242 CO -0.05 -0.09 0.36 0.20 0.00 0.00 0.00 175.10 175.53 3men s ASN 243 N 1.48 6.54 -0.59 3.32 0.01 -1.26 -1.41 114.94 123.03 3men s ASN 243 Ca -0.04 0.63 0.06 0.00 -0.71 0.00 0.00 52.86 52.80 3men s ASN 243 Cb -0.18 -2.22 0.26 0.00 0.41 0.00 0.00 41.25 39.52 3men s ASN 243 CO -0.07 0.07 0.73 0.18 -1.51 0.00 0.00 177.10 176.51 3men n LEU 244 N 3.54 3.21 -4.78 0.60 4.77 0.56 -4.57 117.00 120.32 3men n LEU 244 Ca -0.10 -5.34 -0.31 0.00 -0.03 0.00 0.00 56.01 50.22 3men n LEU 244 Cb 0.52 -0.42 0.07 0.00 -2.33 0.00 0.00 43.42 41.25 3men n LEU 244 CO 0.41 2.09 0.71 -2.16 -1.33 0.00 0.00 177.39 177.11 3men s PRO 245 N -2.37 2.59 -0.01 3.23 0.04 -1.26 -3.03 135.00 134.19 3men s PRO 245 Ca 0.40 1.16 0.05 0.00 0.04 0.00 0.00 61.00 62.65 3men s PRO 245 Cb 0.17 -1.94 -0.01 0.00 0.04 0.00 0.00 34.50 32.76 3men s PRO 245 CO -0.04 -1.39 -0.15 -1.64 0.04 0.00 0.00 177.00 173.82 3men s MET 246 N -4.74 1.20 0.49 4.56 -1.94 -0.38 -4.85 119.30 113.63 3men s MET 246 Ca 0.62 -0.57 -0.22 0.00 -1.71 0.00 0.00 55.69 53.81 3men s MET 246 Cb -0.17 -1.17 -0.09 0.00 2.01 0.00 0.00 34.83 35.41 3men s MET 246 CO 0.52 0.32 0.94 -2.30 -0.01 0.00 0.00 175.02 174.49 3men n PRO 247 N 2.61 1.14 -1.75 2.03 -0.02 -1.26 -1.08 135.00 136.67 3men n PRO 247 Ca -0.15 0.42 -0.42 0.00 -2.02 0.00 0.00 63.50 61.33 3men n PRO 247 Cb 0.55 -2.04 -0.01 0.00 -0.02 0.00 0.00 33.50 31.98 3men n PRO 247 CO 0.00 0.00 0.00 0.72 1.98 0.00 0.00 175.50 178.20 3men n HIS 248 N -0.96 2.84 -1.84 6.00 8.25 -1.26 -2.77 115.22 125.48 3men n HIS 248 Ca 0.11 0.34 0.00 0.00 -0.26 0.00 0.00 57.72 57.91 3men n HIS 248 Cb 0.42 -2.56 0.00 0.00 1.12 0.00 0.00 29.99 28.97 3men n HIS 248 CO 0.00 0.00 0.00 0.41 0.64 0.00 0.00 176.34 177.39 3men n GLY 249 N 1.52 0.77 3.88 -1.41 0.00 -0.41 -5.04 105.19 104.50 3men n GLY 249 Ca 0.06 -0.67 -0.30 0.00 0.00 0.00 0.00 46.02 45.11 3men n GLY 249 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 3men s SER 250 N -2.84 6.39 0.64 1.61 0.01 -0.99 -4.96 113.70 113.56 3men s SER 250 Ca 0.00 1.20 -0.08 0.00 1.31 0.00 0.00 55.95 58.37 3men s SER 250 Cb 0.00 -2.36 0.01 0.00 0.21 0.00 0.00 66.02 63.88 3men s SER 250 CO 0.00 -0.59 0.98 -0.94 0.41 0.00 0.00 173.24 173.10 3men s SER 251 N -3.66 5.57 0.21 2.44 1.04 -1.26 -1.35 113.70 116.69 3men s SER 251 Ca 0.52 0.91 -0.09 0.00 0.48 0.00 0.00 55.95 57.78 3men s SER 251 Cb -0.10 -1.84 0.29 0.00 0.10 0.00 0.00 66.02 64.47 3men s SER 251 CO 0.41 -1.16 1.77 -0.08 0.98 0.00 0.00 173.24 175.16 3men h GLU 252 N -0.36 0.52 -0.84 4.02 4.81 -1.94 -2.57 114.58 118.21 3men h GLU 252 Ca -0.45 -0.03 0.10 0.00 -0.13 0.00 0.00 59.36 58.84 3men h GLU 252 Cb 1.25 -0.12 -0.07 0.00 0.63 0.00 0.00 28.75 30.44 3men h GLU 252 CO 0.62 0.34 0.49 0.00 -0.73 0.00 0.00 179.01 179.73 3men h ALA 253 N 1.40 1.20 -0.36 2.92 0.00 -1.93 -1.16 119.26 121.33 3men h ALA 253 Ca 0.32 0.03 -0.07 0.00 0.00 0.00 0.00 54.91 55.19 3men h ALA 253 Cb 0.33 -0.14 -0.02 0.00 0.00 0.00 0.00 17.79 17.96 3men h ALA 253 CO -0.26 0.11 -0.06 0.00 0.00 0.00 0.00 179.25 179.05 3men h ALA 254 N 1.46 1.23 -0.27 0.00 0.00 -1.84 -1.40 119.26 118.43 3men h ALA 254 Ca 0.40 -0.25 -0.02 0.00 0.00 0.00 0.00 54.91 55.05 3men h ALA 254 Cb 0.37 -0.16 -0.01 0.00 0.00 0.00 0.00 17.79 17.99 3men h ALA 254 CO -0.25 0.50 0.10 0.35 0.00 0.00 0.00 179.25 179.96 3men h PHE 255 N 0.56 0.42 0.00 0.00 3.57 -0.98 -2.15 116.94 118.37 3men h PHE 255 Ca 0.11 -0.03 0.00 0.00 3.53 0.00 0.00 57.97 61.57 3men h PHE 255 Cb 0.44 -0.13 0.00 0.00 2.79 0.00 0.00 35.95 39.06 3men h PHE 255 CO 0.02 0.43 0.00 0.74 -2.23 0.00 0.00 178.31 177.27 3men h PHE 256 N 0.29 0.00 -0.37 0.41 0.04 -1.15 0.35 116.94 116.50 3men h PHE 256 Ca 0.09 0.00 -0.05 0.00 2.80 0.00 0.00 57.97 60.81 3men h PHE 256 Cb 0.19 0.00 -0.01 0.00 2.20 0.00 0.00 35.95 38.33 3men h PHE 256 CO -0.00 0.00 0.04 0.93 -0.60 0.00 0.00 178.31 178.67 3men h GLU 257 N 0.00 0.64 -0.51 1.51 5.08 -0.97 -1.21 114.58 119.12 3men h GLU 257 Ca 0.00 -0.18 -0.11 0.00 -1.00 0.00 0.00 59.36 58.07 3men h GLU 257 Cb 0.54 -0.07 -0.02 0.00 0.50 0.00 0.00 28.75 29.71 3men h GLU 257 CO 0.00 0.72 -0.11 0.00 -1.00 0.00 0.00 179.01 178.61 3men h ARG 258 N 0.47 0.96 -0.89 2.33 2.47 -0.43 -1.87 114.38 117.42 3men h ARG 258 Ca 0.11 -0.35 0.04 0.00 -1.26 0.00 0.00 59.98 58.52 3men h ARG 258 Cb 0.40 -0.06 -0.05 0.00 -1.65 0.00 0.00 29.97 28.61 3men h ARG 258 CO 0.01 1.01 0.57 0.28 0.56 0.00 0.00 179.97 182.41 3men h VAL 259 N 0.86 1.13 -0.35 2.04 2.07 -0.96 -0.84 116.25 120.20 3men h VAL 259 Ca 0.13 -0.38 -0.03 0.00 0.82 0.00 0.00 66.70 67.25 3men h VAL 259 Cb 0.66 -0.06 -0.02 0.00 -1.52 0.00 0.00 31.29 30.35 3men h VAL 259 CO 0.05 0.20 0.10 0.44 0.02 0.00 0.00 177.57 178.38 3men h ASP 260 N 1.10 0.46 -0.40 0.57 3.32 -0.61 -0.08 116.42 120.77 3men h ASP 260 Ca 0.36 -0.05 -0.04 0.00 0.02 0.00 0.00 57.03 57.32 3men h ASP 260 Cb 0.02 -0.12 -0.02 0.00 0.22 0.00 0.00 39.33 39.44 3men h ASP 260 CO -0.12 0.45 0.11 0.44 -1.72 0.00 0.00 179.24 178.40 3men h ASP 261 N 0.50 0.60 -0.57 6.45 3.32 -0.56 -2.63 116.42 123.53 3men h ASP 261 Ca 0.12 -0.22 -0.02 0.00 0.02 0.00 0.00 57.03 56.93 3men h ASP 261 Cb 0.17 -0.16 -0.03 0.00 0.22 0.00 0.00 39.33 39.53 3men h ASP 261 CO -0.01 0.66 0.28 0.00 -1.72 0.00 0.00 179.24 178.46 3men h ALA 262 N 0.96 0.73 -0.23 3.45 0.00 -0.29 -1.80 119.26 122.08 3men h ALA 262 Ca 0.13 -0.12 -0.07 0.00 0.00 0.00 0.00 54.91 54.85 3men h ALA 262 Cb 0.28 -0.23 -0.01 0.00 0.00 0.00 0.00 17.79 17.83 3men h ALA 262 CO -0.00 0.28 -0.17 -0.07 0.00 0.00 0.00 179.25 179.29 3men h LEU 263 N 0.77 0.38 -0.46 0.00 3.38 -0.98 -1.31 115.31 117.09 3men h LEU 263 Ca 0.20 -0.10 -0.00 0.00 0.09 0.00 0.00 57.88 58.06 3men h LEU 263 Cb 0.10 -0.10 -0.02 0.00 0.09 0.00 0.00 40.66 40.72 3men h LEU 263 CO -0.03 0.58 0.27 -0.09 0.09 0.00 0.00 178.44 179.26 3men h ARG 264 N 0.36 0.62 -0.74 1.13 2.43 -1.10 -1.38 114.38 115.70 3men h ARG 264 Ca 0.06 -0.06 -0.06 0.00 -0.81 0.00 0.00 59.98 59.12 3men h ARG 264 Cb 0.52 -0.13 -0.03 0.00 -0.42 0.00 0.00 29.97 29.91 3men h ARG 264 CO 0.03 0.47 0.23 0.93 -1.51 0.00 0.00 179.97 180.12 3men h GLU 265 N 0.61 1.15 -0.57 0.20 4.39 -0.74 -2.40 114.58 117.21 3men h GLU 265 Ca 0.16 -0.25 -0.06 0.00 0.34 0.00 0.00 59.36 59.56 3men h GLU 265 Cb 0.01 -0.17 -0.02 0.00 -0.10 0.00 0.00 28.75 28.47 3men h GLU 265 CO -0.03 0.97 0.12 -0.07 -1.16 0.00 0.00 179.01 178.84 3men h LEU 266 N 1.10 0.89 -0.78 1.33 3.38 -1.12 -1.84 115.31 118.28 3men h LEU 266 Ca 0.24 -0.25 0.01 0.00 0.09 0.00 0.00 57.88 57.97 3men h LEU 266 Cb 0.30 -0.24 -0.04 0.00 0.09 0.00 0.00 40.66 40.78 3men h LEU 266 CO -0.01 0.91 0.51 0.03 0.09 0.00 0.00 178.44 179.97 3men h ARG 267 N 0.83 1.00 -0.21 1.13 3.08 -1.11 -0.22 114.38 118.89 3men h ARG 267 Ca 0.18 -0.06 -0.21 0.00 0.07 0.00 0.00 59.98 59.96 3men h ARG 267 Cb 0.38 -0.23 0.01 0.00 0.08 0.00 0.00 29.97 30.21 3men h ARG 267 CO 0.01 0.66 -0.69 -0.09 -1.07 0.00 0.00 179.97 178.79 3men h ARG 268 N 1.03 0.84 0.00 0.04 2.43 -1.27 -2.86 114.38 114.60 3men h ARG 268 Ca 0.29 -0.62 -0.06 0.00 -0.81 0.00 0.00 59.98 58.78 3men h ARG 268 Cb -0.09 0.11 -0.01 0.00 -0.42 0.00 0.00 29.97 29.56 3men h ARG 268 CO -0.07 1.24 -0.30 0.35 -1.51 0.00 0.00 179.97 179.68 3men h PHE 269 N 0.60 0.00 -6.16 2.20 3.57 -1.13 -3.48 116.94 112.53 3men h PHE 269 Ca -0.03 0.00 -0.31 0.00 3.53 0.00 0.00 57.97 61.16 3men h PHE 269 Cb 1.31 0.00 0.02 0.00 2.79 0.00 0.00 35.95 40.07 3men h PHE 269 CO 0.08 0.30 -0.68 0.00 -2.23 0.00 0.00 178.31 175.78 3men n ALA 270 N -2.43 -2.65 -1.77 2.41 0.00 -0.11 -4.95 120.51 111.01 3men n ALA 270 Ca -0.02 -0.18 -0.35 0.00 0.00 0.00 0.00 53.44 52.89 3men n ALA 270 Cb 0.36 -1.70 0.00 0.00 0.00 0.00 0.00 19.45 18.11 3men n ALA 270 CO 0.00 0.00 0.00 -1.25 0.00 0.00 0.00 177.50 176.25 3men s PRO 271 N -4.51 3.35 0.15 0.00 0.04 -1.26 -4.93 135.00 127.83 3men s PRO 271 Ca 0.10 1.62 0.16 0.00 0.04 0.00 0.00 61.00 62.92 3men s PRO 271 Cb -0.04 -2.00 -0.06 0.00 0.04 0.00 0.00 34.50 32.44 3men s PRO 271 CO 0.84 -0.86 1.07 -0.44 0.04 0.00 0.00 177.00 177.65 3men h ASP 272 N 1.19 0.00 -5.09 6.66 3.32 -0.91 -3.48 116.42 118.11 3men h ASP 272 Ca -0.50 0.00 -0.08 0.00 0.02 0.00 0.00 57.03 56.47 3men h ASP 272 Cb 1.26 0.00 -0.15 0.00 0.22 0.00 0.00 39.33 40.66 3men h ASP 272 CO 0.57 0.54 -0.26 0.00 -1.72 0.00 0.00 179.24 178.37 3men s ALA 273 N -2.95 -0.56 -0.05 3.45 0.00 -1.13 -4.45 121.76 116.07 3men s ALA 273 Ca -0.00 -0.23 0.04 0.00 0.00 0.00 0.00 51.96 51.76 3men s ALA 273 Cb 0.08 0.45 -0.00 0.00 0.00 0.00 0.00 23.12 23.65 3men s ALA 273 CO 0.79 -0.49 -0.17 -1.17 0.00 0.00 0.00 175.76 174.72 3men s LEU 274 N -2.49 1.89 -0.20 0.00 2.96 0.37 -1.62 118.68 119.60 3men s LEU 274 Ca -0.00 -0.36 -0.05 0.00 -0.22 0.00 0.00 54.13 53.50 3men s LEU 274 Cb 0.02 -0.99 -0.03 0.00 0.50 0.00 0.00 46.19 45.70 3men s LEU 274 CO -0.08 0.13 0.00 -0.69 -1.32 0.00 0.00 176.35 174.40 3men s VAL 275 N 0.17 4.01 -0.31 1.68 1.01 0.58 -1.09 120.40 126.45 3men s VAL 275 Ca -0.07 -0.30 -0.08 0.00 0.00 0.00 0.00 61.98 61.54 3men s VAL 275 Cb -0.13 -2.81 0.01 0.00 0.00 0.00 0.00 36.38 33.45 3men s VAL 275 CO 0.03 0.43 0.11 -0.22 0.00 0.00 0.00 175.10 175.45 3men s LEU 276 N 0.94 4.02 -0.51 3.92 2.96 0.37 -1.20 118.68 129.19 3men s LEU 276 Ca 0.01 -0.72 -0.24 0.00 -0.22 0.00 0.00 54.13 52.97 3men s LEU 276 Cb -0.14 -1.92 0.04 0.00 0.50 0.00 0.00 46.19 44.66 3men s LEU 276 CO 0.02 -0.22 0.88 -0.44 -1.32 0.00 0.00 176.35 175.27 3men s SER 277 N 1.53 6.37 -0.14 3.68 0.01 -0.05 -0.11 113.70 124.98 3men s SER 277 Ca 0.03 -0.27 -0.03 0.00 1.31 0.00 0.00 55.95 56.99 3men s SER 277 Cb -0.17 -2.41 -0.03 0.00 0.21 0.00 0.00 66.02 63.61 3men s SER 277 CO 0.04 -1.10 -0.02 -0.22 0.41 0.00 0.00 173.24 172.35 3men s LEU 278 N 3.65 3.36 -0.02 2.44 2.96 -0.30 -1.63 118.68 129.15 3men s LEU 278 Ca 0.30 -0.05 0.02 0.00 -0.22 0.00 0.00 54.13 54.18 3men s LEU 278 Cb -0.13 -1.80 0.00 0.00 0.50 0.00 0.00 46.19 44.76 3men s LEU 278 CO 0.21 0.22 -0.07 -0.83 -1.32 0.00 0.00 176.35 174.55 3men s GLY 279 N 0.06 0.43 0.00 7.98 0.00 -1.26 -0.31 107.32 114.22 3men s GLY 279 Ca 0.01 -0.28 0.16 0.00 0.00 0.00 0.00 44.72 44.61 3men s GLY 279 CO 0.02 -0.09 1.41 0.69 0.00 0.00 0.00 173.10 175.13 3men n PHE 280 N 3.21 0.35 1.72 1.90 3.72 -0.82 -4.32 117.46 123.22 3men n PHE 280 Ca -0.17 -0.18 0.03 0.00 -0.05 0.00 0.00 57.45 57.09 3men n PHE 280 Cb 0.55 0.00 0.14 0.00 -0.94 0.00 0.00 39.48 39.23 3men n PHE 280 CO 0.00 0.00 0.00 -0.40 -0.05 0.00 0.00 176.76 176.31 3men n ASP 281 N 0.47 0.50 0.03 4.37 5.75 -1.26 -1.91 116.55 124.50 3men n ASP 281 Ca 0.14 -1.89 0.13 0.00 -0.01 0.00 0.00 54.79 53.16 3men n ASP 281 Cb 0.33 -0.06 0.42 0.00 -1.03 0.00 0.00 41.12 40.78 3men n ASP 281 CO 0.00 0.00 0.00 1.33 -0.11 0.00 0.00 177.20 178.42 3men n VAL 282 N -0.28 0.18 -1.69 2.12 0.24 -1.26 -3.87 118.33 113.77 3men n VAL 282 Ca 0.06 -0.10 -0.44 0.00 -2.04 0.00 0.00 64.34 61.81 3men n VAL 282 Cb 0.09 -0.29 -0.03 0.00 -1.47 0.00 0.00 33.84 32.14 3men n VAL 282 CO 0.00 0.00 0.00 0.00 -2.14 0.00 0.00 176.83 174.69 3men n TYR 283 N -1.75 2.38 -0.32 6.34 9.36 -0.80 -2.73 117.16 129.63 3men n TYR 283 Ca 0.06 0.31 0.28 0.00 3.32 0.00 0.00 57.90 61.86 3men n TYR 283 Cb 0.37 -2.53 0.51 0.00 -0.63 0.00 0.00 39.34 37.06 3men n TYR 283 CO 0.00 0.00 0.00 2.89 0.22 0.00 0.00 176.86 179.97 3men n ARG 284 N 2.69 -0.06 -0.09 2.98 1.85 -0.57 -1.23 116.66 122.23 3men n ARG 284 Ca 0.13 1.40 0.12 0.00 -1.00 0.00 0.00 57.85 58.50 3men n ARG 284 Cb 0.32 -2.44 0.24 0.00 -1.05 0.00 0.00 32.46 29.53 3men n ARG 284 CO 0.00 0.00 0.00 -0.25 -0.01 0.00 0.00 177.63 177.37 3men n ASP 285 N -5.31 2.80 -4.74 2.89 8.00 -1.26 -4.90 116.55 114.03 3men n ASP 285 Ca 0.34 -1.89 -0.41 0.00 0.71 0.00 0.00 54.79 53.53 3men n ASP 285 Cb 1.15 -0.12 -0.03 0.00 -0.02 0.00 0.00 41.12 42.10 3men n ASP 285 CO 0.00 0.00 0.00 -0.62 -0.39 0.00 0.00 177.20 176.19 3men s ASP 286 N -1.71 6.89 0.55 -2.24 2.15 -0.36 -4.89 116.67 117.05 3men s ASP 286 Ca 0.34 2.41 0.33 0.00 0.43 0.00 0.00 52.55 56.07 3men s ASP 286 Cb 0.21 -2.61 1.36 0.00 -0.30 0.00 0.00 42.92 41.58 3men s ASP 286 CO 0.30 -0.53 1.98 1.55 -0.17 0.00 0.00 175.17 178.31 3men h PRO 287 N 5.31 0.00 -0.10 4.34 0.13 -1.91 -0.72 132.00 139.07 3men h PRO 287 Ca -0.45 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.68 3men h PRO 287 Cb 1.21 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.34 3men h PRO 287 CO 0.77 0.01 0.00 1.04 -0.23 0.00 0.00 178.00 179.59 3men n GLN 288 N -3.10 1.49 -2.73 0.86 6.02 -1.26 -4.98 117.38 113.68 3men n GLN 288 Ca 0.01 -0.73 -0.40 0.00 -0.01 0.00 0.00 57.00 55.87 3men n GLN 288 Cb 0.31 -1.38 -0.06 0.00 1.02 0.00 0.00 30.24 30.13 3men n GLN 288 CO 0.00 0.00 0.00 0.45 -1.01 0.00 0.00 177.06 176.50 3men s SER 289 N -1.64 7.57 -0.05 1.08 0.15 -0.28 -4.94 113.70 115.59 3men s SER 289 Ca 0.33 1.96 0.07 0.00 0.70 0.00 0.00 55.95 59.01 3men s SER 289 Cb 0.17 -2.61 0.11 0.00 -1.71 0.00 0.00 66.02 61.98 3men s SER 289 CO 0.26 0.10 1.00 0.00 1.20 0.00 0.00 173.24 175.80 3men n GLN 290 N 1.32 1.71 -3.80 5.44 1.13 -1.26 -4.94 117.38 116.98 3men n GLN 290 Ca -0.01 -1.73 -0.10 0.00 -1.94 0.00 0.00 57.00 53.21 3men n GLN 290 Cb 0.47 -1.08 -0.07 0.00 0.11 0.00 0.00 30.24 29.67 3men n GLN 290 CO 0.00 0.00 0.00 0.54 -1.44 0.00 0.00 177.06 176.16 3men s VAL 291 N -1.48 0.11 -0.73 5.09 0.11 -1.26 -1.29 120.40 120.94 3men s VAL 291 Ca 0.12 -0.90 0.00 0.00 -2.93 0.00 0.00 61.98 58.26 3men s VAL 291 Cb 0.10 -1.12 0.37 0.00 -1.53 0.00 0.00 36.38 34.20 3men s VAL 291 CO 0.01 -0.50 1.75 0.00 -3.33 0.00 0.00 175.10 173.04 3men n ALA 292 N 0.24 6.09 -2.02 1.54 0.00 -0.46 -4.06 120.51 121.84 3men n ALA 292 Ca -0.17 -4.19 -0.41 0.00 0.00 0.00 0.00 53.44 48.67 3men n ALA 292 Cb 0.61 -1.57 -0.03 0.00 0.00 0.00 0.00 19.45 18.45 3men n ALA 292 CO 0.00 0.00 0.00 0.08 0.00 0.00 0.00 177.50 177.58 3men s VAL 293 N -5.20 3.46 0.40 0.00 1.01 -1.10 -4.02 120.40 114.95 3men s VAL 293 Ca 0.51 1.23 0.08 0.00 0.00 0.00 0.00 61.98 63.80 3men s VAL 293 Cb 0.42 -3.79 -0.00 0.00 0.00 0.00 0.00 36.38 33.02 3men s VAL 293 CO -0.35 0.20 0.50 0.42 0.00 0.00 0.00 175.10 175.88 3men s THR 294 N -0.09 3.08 0.24 3.92 -4.23 -1.26 -1.51 115.64 115.79 3men s THR 294 Ca 0.53 -1.09 -0.05 0.00 -1.18 0.00 0.00 61.69 59.90 3men s THR 294 Cb -0.34 -3.06 0.21 0.00 1.34 0.00 0.00 72.50 70.65 3men s THR 294 CO 0.38 -0.03 1.83 0.74 -0.54 0.00 0.00 174.62 177.00 3men h THR 295 N 0.78 0.98 -0.66 3.99 2.02 -1.97 0.10 112.91 118.15 3men h THR 295 Ca -0.41 -0.30 -0.03 0.00 0.77 0.00 0.00 66.41 66.43 3men h THR 295 Cb 1.27 0.02 -0.03 0.00 -1.74 0.00 0.00 68.15 67.68 3men h THR 295 CO 0.49 0.16 0.29 0.44 0.37 0.00 0.00 175.52 177.27 3men h ASP 296 N 0.88 0.87 -0.93 4.18 3.32 -1.96 -2.57 116.42 120.21 3men h ASP 296 Ca 0.38 -0.11 0.15 0.00 0.02 0.00 0.00 57.03 57.47 3men h ASP 296 Cb 0.25 -0.22 -0.09 0.00 0.22 0.00 0.00 39.33 39.48 3men h ASP 296 CO -0.20 0.76 0.54 1.23 -1.72 0.00 0.00 179.24 179.84 3men h GLY 297 N 1.03 1.56 1.50 2.75 0.00 -1.18 0.82 103.07 109.55 3men h GLY 297 Ca 0.23 -0.33 -0.03 0.00 0.00 0.00 0.00 47.33 47.20 3men h GLY 297 CO -0.02 0.01 0.15 0.74 0.00 0.00 0.00 176.54 177.42 3men h PHE 298 N 0.76 0.65 -0.62 5.60 0.04 -1.05 -0.73 116.94 121.59 3men h PHE 298 Ca 0.50 -0.03 -0.07 0.00 2.80 0.00 0.00 57.97 61.17 3men h PHE 298 Cb 0.67 -0.20 -0.03 0.00 2.20 0.00 0.00 35.95 38.60 3men h PHE 298 CO -0.04 0.53 0.11 0.78 -0.60 0.00 0.00 178.31 179.09 3men h GLY 299 N 0.81 1.07 1.40 -1.45 0.00 -0.84 0.18 103.07 104.24 3men h GLY 299 Ca 0.15 -0.67 -0.16 0.00 0.00 0.00 0.00 47.33 46.65 3men h GLY 299 CO -0.01 0.63 -0.52 -0.09 0.00 0.00 0.00 176.54 176.55 3men h ARG 300 N 0.94 0.63 -0.10 4.80 2.43 -0.65 -0.83 114.38 121.60 3men h ARG 300 Ca 0.19 -0.38 -0.01 0.00 -0.81 0.00 0.00 59.98 58.97 3men h ARG 300 Cb 0.39 0.04 -0.00 0.00 -0.42 0.00 0.00 29.97 29.97 3men h ARG 300 CO 0.01 1.00 0.02 1.25 -1.51 0.00 0.00 179.97 180.73 3men h LEU 301 N 0.49 0.15 -0.68 3.80 5.85 -0.95 -1.50 115.31 122.48 3men h LEU 301 Ca 0.02 -0.25 0.09 0.00 0.84 0.00 0.00 57.88 58.57 3men h LEU 301 Cb 1.07 -0.04 -0.07 0.00 0.37 0.00 0.00 40.66 41.99 3men h LEU 301 CO 0.10 0.37 0.33 1.23 -0.34 0.00 0.00 178.44 180.13 3men h GLY 302 N -0.07 1.01 1.03 3.75 0.00 -0.44 -2.04 103.07 106.31 3men h GLY 302 Ca 0.03 -0.21 -0.04 0.00 0.00 0.00 0.00 47.33 47.11 3men h GLY 302 CO 0.00 0.06 0.28 0.84 0.00 0.00 0.00 176.54 177.72 3men h HIS 303 N 0.58 1.11 -0.57 5.60 -0.00 -1.05 -1.46 115.15 119.36 3men h HIS 303 Ca 0.33 -0.09 -0.08 0.00 -0.00 0.00 0.00 60.37 60.54 3men h HIS 303 Cb 0.34 -0.33 -0.02 0.00 -0.00 0.00 0.00 27.41 27.39 3men h HIS 303 CO -0.11 0.85 0.05 -0.07 -0.00 0.00 0.00 177.93 178.65 3men h LEU 304 N 1.04 0.89 0.20 0.26 3.38 -0.65 -1.50 115.31 118.94 3men h LEU 304 Ca 0.24 -0.21 -0.30 0.00 0.09 0.00 0.00 57.88 57.69 3men h LEU 304 Cb 0.22 -0.24 0.03 0.00 0.09 0.00 0.00 40.66 40.77 3men h LEU 304 CO -0.02 0.92 -1.31 0.40 0.09 0.00 0.00 178.44 178.52 3men h ILE 305 N 0.87 1.32 -0.55 1.22 1.08 -1.32 -3.30 117.51 116.84 3men h ILE 305 Ca 0.17 -2.60 -0.04 0.00 -0.39 0.00 0.00 64.86 62.00 3men h ILE 305 Cb 0.44 2.97 -0.03 0.00 -3.07 0.00 0.00 36.82 37.13 3men h ILE 305 CO 0.02 0.78 0.18 1.23 -0.69 0.00 0.00 178.15 179.66 3men h GLY 306 N 0.10 0.87 2.00 5.37 0.00 -1.25 -2.23 103.07 107.92 3men h GLY 306 Ca -0.22 -0.46 0.00 0.00 0.00 0.00 0.00 47.33 46.65 3men h GLY 306 CO 0.25 0.43 0.00 0.00 0.00 0.00 0.00 176.54 177.22 3men h ALA 307 N 1.41 1.00 0.00 3.60 0.00 -1.35 -1.59 119.26 122.33 3men h ALA 307 Ca 0.18 0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.09 3men h ALA 307 Cb 0.21 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.00 3men h ALA 307 CO -0.01 0.00 0.00 -0.07 0.00 0.00 0.00 179.25 179.17 3men h LEU 308 N 0.00 0.00 -1.69 0.00 3.38 -1.48 -3.46 115.31 112.06 3men h LEU 308 Ca 0.00 0.00 -0.54 0.00 0.09 0.00 0.00 57.88 57.43 3men h LEU 308 Cb 0.17 0.00 -0.14 0.00 0.09 0.00 0.00 40.66 40.79 3men h LEU 308 CO 0.00 0.00 -0.89 -2.11 0.09 0.00 0.00 178.44 175.53 3men n ARG 309 N -3.08 -2.73 -3.94 1.13 -4.01 -0.60 -4.97 116.66 98.46 3men n ARG 309 Ca -0.01 0.33 -0.31 0.00 -1.04 0.00 0.00 57.85 56.82 3men n ARG 309 Cb 0.20 -4.52 -0.04 0.00 -3.04 0.00 0.00 32.46 25.06 3men n ARG 309 CO 0.00 0.00 0.00 -0.51 -3.04 0.00 0.00 177.63 174.08 3men s LEU 310 N -7.14 4.26 -0.04 2.89 1.43 -1.26 -5.06 118.68 113.76 3men s LEU 310 Ca 0.24 0.22 -0.33 0.00 -1.03 0.00 0.00 54.13 53.23 3men s LEU 310 Cb -0.13 -2.87 -0.11 0.00 0.03 0.00 0.00 46.19 43.11 3men s LEU 310 CO 0.93 0.17 1.91 -2.65 0.23 0.00 0.00 176.35 176.93 3men n PRO 311 N 0.29 2.42 -4.05 1.29 -0.02 -1.26 -4.84 135.00 128.83 3men n PRO 311 Ca -0.06 0.89 -0.25 0.00 -2.02 0.00 0.00 63.50 62.06 3men n PRO 311 Cb 0.51 -2.77 -0.17 0.00 -0.02 0.00 0.00 33.50 31.05 3men n PRO 311 CO 0.00 0.00 0.00 0.99 1.98 0.00 0.00 175.50 178.47 3men s THR 312 N 4.16 0.94 -0.31 3.45 2.01 -0.44 -0.47 115.64 124.97 3men s THR 312 Ca 0.91 -0.27 -0.15 0.00 0.31 0.00 0.00 61.69 62.49 3men s THR 312 Cb -0.60 -0.95 -0.02 0.00 0.01 0.00 0.00 72.50 70.93 3men s THR 312 CO 0.48 0.34 0.38 -0.69 -0.69 0.00 0.00 174.62 174.44 3men s VAL 313 N 1.46 5.16 -0.26 3.82 1.01 -0.25 -2.39 120.40 128.96 3men s VAL 313 Ca -0.00 0.32 -0.16 0.00 0.00 0.00 0.00 61.98 62.14 3men s VAL 313 Cb -0.13 -3.78 -0.04 0.00 0.00 0.00 0.00 36.38 32.44 3men s VAL 313 CO -0.05 0.01 0.41 -0.63 0.00 0.00 0.00 175.10 174.84 3men s ILE 314 N 2.08 5.16 -0.20 2.22 1.01 -0.33 -0.48 121.20 130.66 3men s ILE 314 Ca 0.14 0.66 -0.03 0.00 0.00 0.00 0.00 60.65 61.42 3men s ILE 314 Cb -0.16 -3.73 -0.00 0.00 0.01 0.00 0.00 42.46 38.58 3men s ILE 314 CO 0.11 0.16 -0.08 -0.69 0.00 0.00 0.00 174.94 174.44 3men s VAL 315 N 2.00 3.11 0.07 2.92 1.01 0.84 -0.69 120.40 129.66 3men s VAL 315 Ca 0.17 -0.59 -0.31 0.00 0.00 0.00 0.00 61.98 61.25 3men s VAL 315 Cb -0.16 -2.39 -0.08 0.00 0.00 0.00 0.00 36.38 33.76 3men s VAL 315 CO 0.09 0.46 1.54 -1.58 0.00 0.00 0.00 175.10 175.60 3men s GLN 316 N 1.32 4.24 0.00 2.72 2.00 -0.71 -1.15 119.66 128.08 3men s GLN 316 Ca 0.04 2.20 0.00 0.00 -2.00 0.00 0.00 55.36 55.60 3men s GLN 316 Cb -0.14 -3.48 0.00 0.00 0.80 0.00 0.00 33.01 30.18 3men s GLN 316 CO -0.04 -0.63 0.00 0.39 -0.50 0.00 0.00 175.29 174.51 3men n GLU 317 N 5.09 0.00 -0.12 1.67 -0.58 0.58 -4.37 120.64 122.91 3men n GLU 317 Ca 0.14 0.00 0.00 0.00 -0.42 0.00 0.00 57.16 56.88 3men n GLU 317 Cb 0.41 0.00 0.00 0.00 -0.57 0.00 0.00 31.44 31.28 3men n GLU 317 CO 0.00 0.00 0.00 0.41 -0.48 0.00 0.00 177.13 177.06 3men n GLY 318 N 5.00 -0.15 0.00 0.62 0.00 -1.26 -4.75 105.19 104.65 3men n GLY 318 Ca 0.00 -1.77 0.00 0.00 0.00 0.00 0.00 46.02 44.25 3men n GLY 318 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3men n GLY 319 N 5.00 2.01 0.00 -0.02 0.00 -1.26 -1.94 105.19 108.98 3men n GLY 319 Ca 0.00 -0.86 0.00 0.00 0.00 0.00 0.00 46.02 45.16 3men n GLY 319 CO 0.00 0.00 0.00 -1.72 0.00 0.00 0.00 173.32 171.60 3men n TYR 320 N 0.58 0.00 -2.85 1.61 4.01 -1.26 -4.87 117.16 114.38 3men n TYR 320 Ca 0.00 -0.12 -0.43 0.00 -0.16 0.00 0.00 57.90 57.19 3men n TYR 320 Cb 0.00 -0.01 -0.03 0.00 -0.31 0.00 0.00 39.34 38.99 3men n TYR 320 CO 0.00 0.00 0.00 -1.58 -0.46 0.00 0.00 176.86 174.82 3men s HIS 321 N -0.24 2.82 0.12 -0.72 2.46 -1.26 -4.92 115.29 113.55 3men s HIS 321 Ca 0.00 -0.88 -0.20 0.00 0.47 0.00 0.00 55.06 54.44 3men s HIS 321 Cb 0.00 -4.33 -0.05 0.00 -0.13 0.00 0.00 32.58 28.07 3men s HIS 321 CO 0.00 -1.62 1.72 0.82 -2.47 0.00 0.00 174.74 173.18 3men h ILE 322 N 5.99 0.86 0.00 0.89 1.08 -1.98 -2.43 117.51 121.91 3men h ILE 322 Ca -0.08 -0.01 0.00 0.00 -0.39 0.00 0.00 64.86 64.38 3men h ILE 322 Cb 1.05 0.82 0.00 0.00 -3.07 0.00 0.00 36.82 35.62 3men h ILE 322 CO 1.18 0.01 0.00 -0.62 -0.69 0.00 0.00 178.15 178.02 3men n GLU 323 N -5.15 0.10 0.00 2.37 -0.58 -1.26 -2.62 120.64 113.49 3men n GLU 323 Ca -0.03 0.21 0.05 0.00 -0.42 0.00 0.00 57.16 56.97 3men n GLU 323 Cb 0.10 -1.50 0.03 0.00 -0.57 0.00 0.00 31.44 29.50 3men n GLU 323 CO 0.00 0.00 0.00 -1.13 -0.48 0.00 0.00 177.13 175.52 3men n SER 324 N -1.39 1.62 -0.12 1.62 3.41 -0.93 -4.72 113.62 113.10 3men n SER 324 Ca 0.05 -1.31 -0.09 0.00 -0.26 0.00 0.00 58.87 57.27 3men n SER 324 Cb 0.14 0.17 -0.01 0.00 -0.26 0.00 0.00 64.21 64.26 3men n SER 324 CO 0.00 0.00 0.00 -0.07 -0.16 0.00 0.00 175.04 174.81 3men h LEU 325 N 1.68 0.45 -0.12 1.04 3.38 -1.38 -1.27 115.31 119.08 3men h LEU 325 Ca 0.00 -0.05 -0.00 0.00 0.09 0.00 0.00 57.88 57.91 3men h LEU 325 Cb 0.39 -0.11 -0.01 0.00 0.09 0.00 0.00 40.66 41.03 3men h LEU 325 CO 0.00 0.37 0.06 -0.08 0.09 0.00 0.00 178.44 178.88 3men h GLU 326 N 0.49 0.18 -0.47 1.13 4.22 -1.80 -0.30 114.58 118.03 3men h GLU 326 Ca 0.13 -0.02 -0.00 0.00 0.08 0.00 0.00 59.36 59.55 3men h GLU 326 Cb 0.00 -0.03 -0.02 0.00 0.50 0.00 0.00 28.75 29.20 3men h GLU 326 CO -0.03 0.23 0.28 0.00 -2.18 0.00 0.00 179.01 177.31 3men h ALA 327 N 0.94 0.60 -0.45 2.92 0.00 -1.84 -1.34 119.26 120.09 3men h ALA 327 Ca 0.04 -0.07 -0.07 0.00 0.00 0.00 0.00 54.91 54.81 3men h ALA 327 Cb 0.11 -0.19 -0.02 0.00 0.00 0.00 0.00 17.79 17.69 3men h ALA 327 CO -0.01 0.09 0.00 -0.91 0.00 0.00 0.00 179.25 178.43 3men h ASN 328 N 0.62 0.79 -0.44 0.00 2.35 -1.10 -0.08 115.58 117.73 3men h ASN 328 Ca 0.17 -0.31 -0.01 0.00 -0.55 0.00 0.00 56.30 55.60 3men h ASN 328 Cb 0.00 -0.21 -0.02 0.00 0.05 0.00 0.00 38.32 38.14 3men h ASN 328 CO -0.03 0.90 0.24 0.00 -1.65 0.00 0.00 177.43 176.89 3men h ALA 329 N 0.91 0.56 -0.63 -0.83 0.00 -0.96 -1.53 119.26 116.79 3men h ALA 329 Ca 0.13 -0.08 -0.06 0.00 0.00 0.00 0.00 54.91 54.90 3men h ALA 329 Cb 0.50 -0.17 -0.03 0.00 0.00 0.00 0.00 17.79 18.09 3men h ALA 329 CO 0.02 0.08 0.17 0.00 0.00 0.00 0.00 179.25 179.52 3men h ARG 330 N 0.57 0.99 0.12 0.00 3.08 -1.08 -0.56 114.38 117.50 3men h ARG 330 Ca 0.15 -0.23 -0.00 0.00 0.07 0.00 0.00 59.98 59.97 3men h ARG 330 Cb 0.04 -0.13 -0.00 0.00 0.08 0.00 0.00 29.97 29.96 3men h ARG 330 CO -0.03 0.89 -0.07 1.03 -1.07 0.00 0.00 179.97 180.72 3men h SER 331 N 0.91 -0.18 -0.02 7.04 0.87 -0.97 -0.31 113.55 120.89 3men h SER 331 Ca 0.20 0.01 0.03 0.00 -1.23 0.00 0.00 61.79 60.81 3men h SER 331 Cb 0.33 0.06 -0.05 0.00 -0.44 0.00 0.00 62.40 62.30 3men h SER 331 CO -0.00 -0.12 -0.29 0.15 -0.53 0.00 0.00 176.83 176.04 3men h PHE 332 N -0.19 -0.78 0.00 2.24 3.57 -1.06 -1.35 116.94 119.38 3men h PHE 332 Ca -0.01 0.03 -0.03 0.00 3.53 0.00 0.00 57.97 61.49 3men h PHE 332 Cb 0.16 0.35 -0.00 0.00 2.79 0.00 0.00 35.95 39.24 3men h PHE 332 CO -0.08 -0.38 -0.13 0.74 -2.23 0.00 0.00 178.31 176.23 3men h PHE 333 N -0.42 0.00 -0.27 0.41 0.04 -1.08 -0.27 116.94 115.35 3men h PHE 333 Ca 0.07 0.00 -0.18 0.00 2.80 0.00 0.00 57.97 60.66 3men h PHE 333 Cb 0.52 0.00 -0.00 0.00 2.20 0.00 0.00 35.95 38.67 3men h PHE 333 CO -0.33 0.13 -0.55 0.78 -0.60 0.00 0.00 178.31 177.75 3men h GLY 334 N 1.60 0.90 0.98 -1.45 0.00 -0.39 -2.28 103.07 102.43 3men h GLY 334 Ca -0.00 -1.04 -0.15 0.00 0.00 0.00 0.00 47.33 46.14 3men h GLY 334 CO 0.02 0.94 -0.45 -1.33 0.00 0.00 0.00 176.54 175.72 3men h GLY 335 N 0.77 0.74 0.56 4.60 0.00 -0.83 -3.03 103.07 105.88 3men h GLY 335 Ca 0.01 -0.89 0.11 0.00 0.00 0.00 0.00 47.33 46.56 3men h GLY 335 CO 0.12 0.80 0.63 -2.75 0.00 0.00 0.00 176.54 175.33 3men h PHE 336 N 0.38 1.13 -0.05 5.60 3.57 -0.99 -2.78 116.94 123.80 3men h PHE 336 Ca 0.00 0.03 0.00 0.00 3.53 0.00 0.00 57.97 61.54 3men h PHE 336 Cb 1.05 -0.36 0.00 0.00 2.79 0.00 0.00 35.95 39.43 3men h PHE 336 CO 0.09 0.49 0.00 0.41 -2.23 0.00 0.00 178.31 177.06 3men n GLY 337 N -1.36 0.11 0.21 2.40 0.00 -0.86 -4.56 105.19 101.13 3men n GLY 337 Ca 0.18 -0.45 0.15 0.00 0.00 0.00 0.00 46.02 45.89 3men n GLY 337 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32