#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2x17 s LEU 2 N 0.00 3.95 0.77 3.17 1.43 -1.26 -5.02 118.68 121.72 2x17 s LEU 2 Ca 0.00 2.60 -0.11 0.00 -1.03 0.00 0.00 54.13 55.60 2x17 s LEU 2 Cb 0.00 -4.21 0.05 0.00 0.03 0.00 0.00 46.19 42.06 2x17 s LEU 2 CO 0.00 -1.26 1.08 -0.94 0.23 0.00 0.00 176.35 175.46 2x17 s SER 3 N -1.05 4.67 0.34 2.29 1.04 -1.26 -4.83 113.70 114.90 2x17 s SER 3 Ca 0.67 1.61 0.03 0.00 0.48 0.00 0.00 55.95 58.74 2x17 s SER 3 Cb -0.36 -2.38 0.63 0.00 0.10 0.00 0.00 66.02 64.01 2x17 s SER 3 CO 0.44 -1.90 1.97 -0.08 0.98 0.00 0.00 173.24 174.65 2x17 h GLU 4 N -1.03 0.86 -0.10 4.02 4.81 -2.00 -0.89 114.58 120.26 2x17 h GLU 4 Ca -0.45 -0.05 -0.22 0.00 -0.13 0.00 0.00 59.36 58.51 2x17 h GLU 4 Cb 1.24 -0.19 0.01 0.00 0.63 0.00 0.00 28.75 30.43 2x17 h GLU 4 CO 0.55 0.57 -0.81 -0.09 -0.73 0.00 0.00 179.01 178.50 2x17 h ARG 5 N 0.89 0.63 -0.36 1.92 2.43 -2.00 -2.97 114.38 114.92 2x17 h ARG 5 Ca 0.30 -0.55 -0.14 0.00 -0.81 0.00 0.00 59.98 58.78 2x17 h ARG 5 Cb 0.07 0.12 -0.01 0.00 -0.42 0.00 0.00 29.97 29.74 2x17 h ARG 5 CO -0.09 1.16 -0.32 1.98 -1.51 0.00 0.00 179.97 181.20 2x17 h MET 6 N 0.42 0.86 -0.58 0.20 4.05 -1.82 -2.26 114.93 115.79 2x17 h MET 6 Ca -0.06 -0.44 -0.01 0.00 -0.28 0.00 0.00 59.70 58.91 2x17 h MET 6 Cb 1.43 0.01 -0.03 0.00 -0.80 0.00 0.00 31.60 32.21 2x17 h MET 6 CO 0.16 1.08 0.31 1.25 0.23 0.00 0.00 176.91 179.93 2x17 h LEU 7 N 0.66 0.74 -0.92 3.39 5.85 -1.25 -1.27 115.31 122.51 2x17 h LEU 7 Ca 0.06 -0.11 -0.05 0.00 0.84 0.00 0.00 57.88 58.62 2x17 h LEU 7 Cb 0.91 -0.19 -0.03 0.00 0.37 0.00 0.00 40.66 41.72 2x17 h LEU 7 CO 0.08 0.63 0.18 0.50 -0.34 0.00 0.00 178.44 179.50 2x17 h LYS 8 N 0.79 0.98 -0.32 1.25 3.64 -1.50 -1.98 116.57 119.42 2x17 h LYS 8 Ca 0.20 -0.20 -0.14 0.00 -1.27 0.00 0.00 60.65 59.24 2x17 h LYS 8 Cb 0.07 -0.15 -0.01 0.00 -0.41 0.00 0.00 32.23 31.73 2x17 h LYS 8 CO -0.03 0.85 -0.37 0.00 -2.27 0.00 0.00 179.45 177.63 2x17 h ALA 9 N 1.25 0.73 -0.25 5.00 0.00 -1.08 -2.06 119.26 122.86 2x17 h ALA 9 Ca 0.21 -0.44 -0.16 0.00 0.00 0.00 0.00 54.91 54.52 2x17 h ALA 9 Cb 0.29 -0.12 -0.01 0.00 0.00 0.00 0.00 17.79 17.96 2x17 h ALA 9 CO -0.01 0.66 -0.48 -0.07 0.00 0.00 0.00 179.25 179.36 2x17 h LEU 10 N 0.63 0.73 -1.21 0.00 3.38 -1.12 -2.71 115.31 115.01 2x17 h LEU 10 Ca 0.06 -0.36 -0.06 0.00 0.09 0.00 0.00 57.88 57.60 2x17 h LEU 10 Cb 0.92 -0.21 -0.01 0.00 0.09 0.00 0.00 40.66 41.45 2x17 h LEU 10 CO 0.08 1.09 -0.13 0.78 0.09 0.00 0.00 178.44 180.36 2x17 h ASN 11 N 0.54 0.37 -0.36 -0.43 2.35 -1.30 -2.29 115.58 114.46 2x17 h ASN 11 Ca 0.03 -0.09 -0.11 0.00 -0.55 0.00 0.00 56.30 55.58 2x17 h ASN 11 Cb 1.03 -0.10 -0.01 0.00 0.05 0.00 0.00 38.32 39.29 2x17 h ASN 11 CO 0.10 0.54 -0.22 0.44 -1.65 0.00 0.00 177.43 176.63 2x17 h ASP 12 N 0.36 0.81 0.12 5.81 3.45 -1.22 -2.46 116.42 123.29 2x17 h ASP 12 Ca 0.07 -0.43 -0.12 0.00 0.43 0.00 0.00 57.03 56.98 2x17 h ASP 12 Cb 0.45 -0.23 -0.01 0.00 -0.56 0.00 0.00 39.33 38.98 2x17 h ASP 12 CO 0.03 1.06 -0.42 -0.61 -1.57 0.00 0.00 179.24 177.73 2x17 h GLN 13 N 0.56 0.38 -0.75 3.56 5.75 -1.42 -0.13 115.11 123.06 2x17 h GLN 13 Ca 0.07 -0.19 0.05 0.00 -0.15 0.00 0.00 58.65 58.43 2x17 h GLN 13 Cb 0.78 0.00 -0.05 0.00 1.07 0.00 0.00 27.48 29.28 2x17 h GLN 13 CO 0.06 0.73 0.46 1.25 -2.65 0.00 0.00 178.83 178.69 2x17 h LEU 14 N 0.31 0.74 -0.72 -2.39 6.46 -1.35 0.97 115.31 119.33 2x17 h LEU 14 Ca 0.03 0.01 -0.13 0.00 -0.12 0.00 0.00 57.88 57.66 2x17 h LEU 14 Cb 0.87 -0.15 -0.01 0.00 -0.73 0.00 0.00 40.66 40.64 2x17 h LEU 14 CO 0.07 0.49 -0.49 -1.13 -0.62 0.00 0.00 178.44 176.77 2x17 h ASN 15 N 0.88 0.40 -0.58 1.25 -0.73 -1.00 -2.20 115.58 113.61 2x17 h ASN 15 Ca 0.32 -0.20 -0.09 0.00 1.87 0.00 0.00 56.30 58.21 2x17 h ASN 15 Cb 0.09 -0.11 -0.02 0.00 0.27 0.00 0.00 38.32 38.55 2x17 h ASN 15 CO -0.14 0.83 0.03 0.03 -0.37 0.00 0.00 177.43 177.80 2x17 h ARG 16 N 0.30 1.00 -0.32 6.67 3.08 -0.41 -1.34 114.38 123.36 2x17 h ARG 16 Ca 0.02 -0.30 -0.11 0.00 0.07 0.00 0.00 59.98 59.65 2x17 h ARG 16 Cb 0.97 -0.10 -0.01 0.00 0.08 0.00 0.00 29.97 30.91 2x17 h ARG 16 CO 0.08 0.98 -0.24 0.93 -1.07 0.00 0.00 179.97 180.65 2x17 h GLU 17 N 0.89 0.63 -0.12 0.04 4.39 -0.75 -0.54 114.58 119.12 2x17 h GLU 17 Ca 0.17 -0.25 -0.12 0.00 0.34 0.00 0.00 59.36 59.49 2x17 h GLU 17 Cb 0.51 -0.03 -0.01 0.00 -0.10 0.00 0.00 28.75 29.12 2x17 h GLU 17 CO 0.02 0.82 -0.47 -0.07 -1.16 0.00 0.00 179.01 178.16 2x17 h LEU 18 N 0.55 0.32 -0.31 1.33 3.38 -1.28 -2.45 115.31 116.86 2x17 h LEU 18 Ca 0.08 -0.15 -0.19 0.00 0.09 0.00 0.00 57.88 57.71 2x17 h LEU 18 Cb 0.71 -0.09 0.00 0.00 0.09 0.00 0.00 40.66 41.37 2x17 h LEU 18 CO 0.05 0.75 -0.59 0.22 0.09 0.00 0.00 178.44 178.96 2x17 h TYR 19 N 0.25 1.03 -0.70 1.13 3.20 -1.01 -2.54 116.97 118.32 2x17 h TYR 19 Ca 0.02 -0.38 0.10 0.00 3.14 0.00 0.00 58.73 61.60 2x17 h TYR 19 Cb 0.92 -0.19 -0.07 0.00 1.54 0.00 0.00 36.73 38.93 2x17 h TYR 19 CO 0.02 1.20 0.33 0.77 -1.64 0.00 0.00 178.16 178.84 2x17 h SER 20 N 0.61 0.42 -0.83 -2.11 0.02 -0.97 0.48 113.55 111.16 2x17 h SER 20 Ca 0.00 0.07 0.01 0.00 -0.84 0.00 0.00 61.79 61.03 2x17 h SER 20 Cb 1.19 0.00 -0.04 0.00 0.14 0.00 0.00 62.40 63.69 2x17 h SER 20 CO 0.13 0.23 0.55 0.00 -1.14 0.00 0.00 176.83 176.60 2x17 h ALA 21 N 1.44 1.06 0.00 3.77 0.00 -1.40 -1.41 119.26 122.72 2x17 h ALA 21 Ca 0.35 -0.06 -0.10 0.00 0.00 0.00 0.00 54.91 55.11 2x17 h ALA 21 Cb 0.40 -0.34 -0.01 0.00 0.00 0.00 0.00 17.79 17.84 2x17 h ALA 21 CO -0.29 0.46 -0.46 -0.92 0.00 0.00 0.00 179.25 178.04 2x17 h TYR 22 N 1.13 0.00 -0.09 0.00 -0.00 -0.71 -1.79 116.97 115.51 2x17 h TYR 22 Ca 0.31 0.00 -0.15 0.00 -0.00 0.00 0.00 58.73 58.89 2x17 h TYR 22 Cb -0.13 0.00 0.01 0.00 -0.00 0.00 0.00 36.73 36.61 2x17 h TYR 22 CO -0.01 0.46 -0.52 1.25 -0.00 0.00 0.00 178.16 179.34 2x17 h LEU 23 N 0.00 0.62 -0.92 2.82 5.85 0.23 -2.06 115.31 121.85 2x17 h LEU 23 Ca -0.00 -0.65 -0.04 0.00 0.84 0.00 0.00 57.88 58.02 2x17 h LEU 23 Cb 1.07 -0.18 -0.01 0.00 0.37 0.00 0.00 40.66 41.91 2x17 h LEU 23 CO 0.06 1.17 -0.21 1.88 -0.34 0.00 0.00 178.44 181.00 2x17 h TYR 24 N 0.11 0.00 -0.09 1.25 0.05 -1.24 -0.81 116.97 116.24 2x17 h TYR 24 Ca -0.04 0.00 -0.16 0.00 0.05 0.00 0.00 58.73 58.58 2x17 h TYR 24 Cb 1.17 0.00 -0.01 0.00 1.01 0.00 0.00 36.73 38.90 2x17 h TYR 24 CO 0.12 0.21 -0.64 0.35 -1.05 0.00 0.00 178.16 177.14 2x17 h PHE 25 N 0.00 0.43 -0.19 4.88 -0.00 -1.33 -1.52 116.94 119.21 2x17 h PHE 25 Ca -0.00 -0.17 -0.16 0.00 -0.00 0.00 0.00 57.97 57.64 2x17 h PHE 25 Cb 0.82 -0.07 -0.01 0.00 -0.00 0.00 0.00 35.95 36.69 2x17 h PHE 25 CO 0.00 0.87 -0.54 0.00 -0.00 0.00 0.00 178.31 178.65 2x17 h ALA 26 N 1.08 0.71 -0.18 2.41 0.00 -0.80 -2.52 119.26 119.98 2x17 h ALA 26 Ca -0.01 -0.51 -0.14 0.00 0.00 0.00 0.00 54.91 54.25 2x17 h ALA 26 Cb 1.17 -0.09 -0.01 0.00 0.00 0.00 0.00 17.79 18.87 2x17 h ALA 26 CO 0.10 0.69 -0.48 0.52 0.00 0.00 0.00 179.25 180.08 2x17 h MET 27 N 0.43 0.47 -0.73 0.00 2.86 -1.14 -2.34 114.93 114.46 2x17 h MET 27 Ca 0.01 -0.26 0.01 0.00 -2.06 0.00 0.00 59.70 57.40 2x17 h MET 27 Cb 1.08 0.02 -0.04 0.00 0.06 0.00 0.00 31.60 32.72 2x17 h MET 27 CO 0.10 0.85 0.48 0.00 1.06 0.00 0.00 176.91 179.40 2x17 h ALA 28 N 1.11 0.93 -0.40 6.32 0.00 -1.18 -0.56 119.26 125.49 2x17 h ALA 28 Ca 0.02 -0.05 -0.06 0.00 0.00 0.00 0.00 54.91 54.82 2x17 h ALA 28 Cb 0.99 -0.29 -0.02 0.00 0.00 0.00 0.00 17.79 18.47 2x17 h ALA 28 CO 0.09 0.34 -0.01 0.00 0.00 0.00 0.00 179.25 179.66 2x17 h ALA 29 N 1.27 1.23 -0.30 0.00 0.00 -1.32 -0.52 119.26 119.63 2x17 h ALA 29 Ca 0.27 -0.24 -0.06 0.00 0.00 0.00 0.00 54.91 54.88 2x17 h ALA 29 Cb -0.10 -0.17 -0.01 0.00 0.00 0.00 0.00 17.79 17.51 2x17 h ALA 29 CO -0.07 0.51 -0.06 -0.92 0.00 0.00 0.00 179.25 178.72 2x17 h TYR 30 N 0.61 0.63 0.00 0.00 3.20 -0.85 -2.42 116.97 118.13 2x17 h TYR 30 Ca 0.12 -0.13 -0.09 0.00 3.14 0.00 0.00 58.73 61.77 2x17 h TYR 30 Cb 0.40 -0.15 -0.01 0.00 1.54 0.00 0.00 36.73 38.51 2x17 h TYR 30 CO 0.02 0.74 -0.43 0.74 -1.64 0.00 0.00 178.16 177.59 2x17 h PHE 31 N 0.33 0.00 -0.23 -3.82 0.04 -0.98 -2.96 116.94 109.32 2x17 h PHE 31 Ca 0.08 0.00 -0.13 0.00 2.80 0.00 0.00 57.97 60.72 2x17 h PHE 31 Cb 0.53 0.00 -0.01 0.00 2.20 0.00 0.00 35.95 38.67 2x17 h PHE 31 CO 0.05 0.43 -0.40 1.49 -0.60 0.00 0.00 178.31 179.27 2x17 h GLU 32 N 0.00 0.53 -0.53 1.51 4.57 -1.02 0.39 114.58 120.03 2x17 h GLU 32 Ca -0.00 -0.27 -0.09 0.00 -1.18 0.00 0.00 59.36 57.82 2x17 h GLU 32 Cb 0.94 0.00 -0.02 0.00 -0.16 0.00 0.00 28.75 29.51 2x17 h GLU 32 CO 0.06 0.85 -0.02 0.22 -1.18 0.00 0.00 179.01 178.93 2x17 h ASP 33 N 0.44 0.90 0.76 1.04 3.58 -1.28 -2.35 116.42 119.51 2x17 h ASP 33 Ca 0.04 -0.25 0.00 0.00 0.42 0.00 0.00 57.03 57.24 2x17 h ASP 33 Cb 0.90 -0.24 0.00 0.00 1.72 0.00 0.00 39.33 41.71 2x17 h ASP 33 CO 0.08 0.97 0.00 0.18 -2.88 0.00 0.00 179.24 177.59 2x17 n LEU 34 N -4.18 0.00 0.00 2.28 4.77 -1.16 -4.89 117.00 113.82 2x17 n LEU 34 Ca 0.02 0.47 0.00 0.00 -0.03 0.00 0.00 56.01 56.48 2x17 n LEU 34 Cb 0.34 -0.47 0.00 0.00 -2.33 0.00 0.00 43.42 40.95 2x17 n LEU 34 CO 0.43 -0.09 0.00 0.61 -1.33 0.00 0.00 177.39 177.01 2x17 n GLY 35 N 0.90 0.47 3.43 -0.72 0.00 -0.88 -4.99 105.19 103.39 2x17 n GLY 35 Ca 0.06 -0.75 -0.44 0.00 0.00 0.00 0.00 46.02 44.89 2x17 n GLY 35 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 2x17 s LEU 36 N 0.00 5.44 0.36 0.99 1.43 0.10 -4.87 118.68 122.15 2x17 s LEU 36 Ca 0.00 -2.96 0.11 0.00 -1.03 0.00 0.00 54.13 50.25 2x17 s LEU 36 Cb 0.00 -2.35 0.70 0.00 0.03 0.00 0.00 46.19 44.57 2x17 s LEU 36 CO 0.00 -0.68 1.83 -0.33 0.23 0.00 0.00 176.35 177.40 2x17 h GLU 37 N 7.34 0.09 -0.23 1.70 5.08 -1.92 -2.18 114.58 124.46 2x17 h GLU 37 Ca 0.25 -0.03 -0.05 0.00 -1.00 0.00 0.00 59.36 58.53 2x17 h GLU 37 Cb 0.91 -0.01 -0.01 0.00 0.50 0.00 0.00 28.75 30.14 2x17 h GLU 37 CO 1.14 0.41 -0.05 0.78 -1.00 0.00 0.00 179.01 180.28 2x17 h GLY 38 N 1.03 0.48 0.98 -3.84 0.00 -1.90 -1.63 103.07 98.20 2x17 h GLY 38 Ca 0.01 -0.40 -0.03 0.00 0.00 0.00 0.00 47.33 46.91 2x17 h GLY 38 CO 0.04 0.36 0.23 0.74 0.00 0.00 0.00 176.54 177.91 2x17 h PHE 39 N 0.18 0.83 -0.34 5.60 -1.00 -1.74 -1.75 116.94 118.73 2x17 h PHE 39 Ca 0.06 -0.06 -0.00 0.00 2.81 0.00 0.00 57.97 60.78 2x17 h PHE 39 Cb 0.51 -0.25 -0.02 0.00 3.61 0.00 0.00 35.95 39.80 2x17 h PHE 39 CO 0.05 0.67 0.20 0.00 -1.61 0.00 0.00 178.31 177.62 2x17 h ALA 40 N 1.07 0.43 -0.27 2.45 0.00 -1.36 -1.29 119.26 120.29 2x17 h ALA 40 Ca 0.18 -0.06 -0.09 0.00 0.00 0.00 0.00 54.91 54.95 2x17 h ALA 40 Cb 0.19 -0.14 -0.01 0.00 0.00 0.00 0.00 17.79 17.83 2x17 h ALA 40 CO -0.02 -0.06 -0.20 -0.91 0.00 0.00 0.00 179.25 178.06 2x17 h ASN 41 N 0.44 0.49 -0.62 0.00 2.35 -1.25 -0.97 115.58 116.01 2x17 h ASN 41 Ca 0.12 -0.15 -0.01 0.00 -0.55 0.00 0.00 56.30 55.71 2x17 h ASN 41 Cb 0.02 -0.13 -0.03 0.00 0.05 0.00 0.00 38.32 38.23 2x17 h ASN 41 CO -0.02 0.70 0.35 -0.25 -1.65 0.00 0.00 177.43 176.56 2x17 h TRP 42 N 0.45 0.85 -0.16 1.19 7.01 -1.03 -1.60 115.95 122.66 2x17 h TRP 42 Ca 0.07 -0.02 -0.13 0.00 2.11 0.00 0.00 58.89 60.93 2x17 h TRP 42 Cb 0.60 -0.27 -0.01 0.00 -2.10 0.00 0.00 29.16 27.38 2x17 h TRP 42 CO 0.02 0.61 -0.46 0.52 -2.79 0.00 0.00 178.44 176.34 2x17 h MET 43 N 0.85 0.39 -0.52 2.65 2.86 -0.89 -1.64 114.93 118.64 2x17 h MET 43 Ca 0.22 -0.21 -0.09 0.00 -2.06 0.00 0.00 59.70 57.56 2x17 h MET 43 Cb 0.03 0.01 -0.02 0.00 0.06 0.00 0.00 31.60 31.68 2x17 h MET 43 CO -0.04 0.77 -0.04 0.87 1.06 0.00 0.00 176.91 179.53 2x17 h LYS 44 N 0.32 0.95 -0.32 1.72 1.57 -1.03 -0.50 116.57 119.28 2x17 h LYS 44 Ca 0.02 -0.32 -0.10 0.00 -1.87 0.00 0.00 60.65 58.38 2x17 h LYS 44 Cb 0.93 -0.07 -0.01 0.00 0.08 0.00 0.00 32.23 33.15 2x17 h LYS 44 CO 0.08 0.98 -0.22 0.00 -0.57 0.00 0.00 179.45 179.73 2x17 h ALA 45 N 0.93 1.03 -0.17 3.86 0.00 -1.17 -2.54 119.26 121.19 2x17 h ALA 45 Ca 0.14 -0.34 -0.15 0.00 0.00 0.00 0.00 54.91 54.56 2x17 h ALA 45 Cb 0.59 -0.14 -0.01 0.00 0.00 0.00 0.00 17.79 18.23 2x17 h ALA 45 CO 0.04 0.58 -0.51 0.37 0.00 0.00 0.00 179.25 179.73 2x17 h GLN 46 N 0.54 0.48 -0.84 0.00 5.75 -1.17 -2.99 115.11 116.88 2x17 h GLN 46 Ca 0.08 -0.28 -0.03 0.00 -0.15 0.00 0.00 58.65 58.27 2x17 h GLN 46 Cb 0.66 0.03 -0.04 0.00 1.07 0.00 0.00 27.48 29.20 2x17 h GLN 46 CO 0.05 0.88 0.42 0.00 -2.65 0.00 0.00 178.83 177.53 2x17 h ALA 47 N 1.07 1.08 -0.56 3.38 0.00 -0.83 -2.63 119.26 120.76 2x17 h ALA 47 Ca 0.01 -0.15 -0.07 0.00 0.00 0.00 0.00 54.91 54.71 2x17 h ALA 47 Cb 1.03 -0.33 -0.02 0.00 0.00 0.00 0.00 17.79 18.46 2x17 h ALA 47 CO 0.09 0.62 0.08 0.93 0.00 0.00 0.00 179.25 180.97 2x17 h GLU 48 N 1.18 0.90 -0.48 0.00 5.08 -1.42 -2.82 114.58 117.02 2x17 h GLU 48 Ca 0.29 -0.22 0.03 0.00 -1.00 0.00 0.00 59.36 58.46 2x17 h GLU 48 Cb 0.09 -0.12 -0.03 0.00 0.50 0.00 0.00 28.75 29.19 2x17 h GLU 48 CO -0.04 0.85 0.27 0.93 -1.00 0.00 0.00 179.01 180.02 2x17 h GLU 49 N 0.85 0.52 -0.36 2.33 4.39 -1.33 -2.25 114.58 118.74 2x17 h GLU 49 Ca 0.17 -0.03 -0.05 0.00 0.34 0.00 0.00 59.36 59.80 2x17 h GLU 49 Cb 0.39 -0.12 -0.02 0.00 -0.10 0.00 0.00 28.75 28.90 2x17 h GLU 49 CO 0.01 0.35 0.02 0.93 -1.16 0.00 0.00 179.01 179.15 2x17 h GLU 50 N 0.54 0.55 -0.77 2.33 4.39 -1.33 -1.41 114.58 118.88 2x17 h GLU 50 Ca 0.20 -0.11 -0.01 0.00 0.34 0.00 0.00 59.36 59.77 2x17 h GLU 50 Cb 0.05 -0.08 -0.04 0.00 -0.10 0.00 0.00 28.75 28.58 2x17 h GLU 50 CO -0.11 0.56 0.43 0.82 -1.16 0.00 0.00 179.01 179.56 2x17 h ILE 51 N 0.53 1.23 -0.46 3.13 2.04 -1.23 -1.40 117.51 121.35 2x17 h ILE 51 Ca 0.12 -0.57 -0.05 0.00 1.00 0.00 0.00 64.86 65.36 2x17 h ILE 51 Cb 0.31 0.20 -0.02 0.00 -0.74 0.00 0.00 36.82 36.57 2x17 h ILE 51 CO 0.01 0.25 0.08 1.23 0.00 0.00 0.00 178.15 179.72 2x17 h GLY 52 N 1.07 0.76 1.51 5.37 0.00 -0.75 -1.26 103.07 109.76 2x17 h GLY 52 Ca 0.27 -0.44 -0.10 0.00 0.00 0.00 0.00 47.33 47.06 2x17 h GLY 52 CO -0.04 0.41 -0.23 0.45 0.00 0.00 0.00 176.54 177.13 2x17 h HIS 53 N 0.68 0.64 -0.44 5.60 3.86 -0.87 -1.48 115.15 123.14 2x17 h HIS 53 Ca 0.15 -0.14 -0.11 0.00 -1.16 0.00 0.00 60.37 59.11 2x17 h HIS 53 Cb 0.31 -0.16 -0.02 0.00 1.06 0.00 0.00 27.41 28.60 2x17 h HIS 53 CO 0.01 0.76 -0.17 0.00 0.86 0.00 0.00 177.93 179.39 2x17 h ALA 54 N 1.24 0.88 -0.06 2.45 0.00 -0.80 -2.76 119.26 120.21 2x17 h ALA 54 Ca 0.08 -0.35 -0.08 0.00 0.00 0.00 0.00 54.91 54.55 2x17 h ALA 54 Cb 0.67 -0.17 -0.01 0.00 0.00 0.00 0.00 17.79 18.28 2x17 h ALA 54 CO 0.05 0.63 -0.32 -0.07 0.00 0.00 0.00 179.25 179.54 2x17 h LEU 55 N 0.74 0.11 -0.90 0.00 3.38 -0.91 -1.21 115.31 116.51 2x17 h LEU 55 Ca 0.11 -0.03 -0.11 0.00 0.09 0.00 0.00 57.88 57.93 2x17 h LEU 55 Cb 0.69 -0.03 -0.01 0.00 0.09 0.00 0.00 40.66 41.39 2x17 h LEU 55 CO 0.05 0.43 -0.46 0.03 0.09 0.00 0.00 178.44 178.58 2x17 h ARG 56 N 0.09 0.20 -0.09 1.13 3.08 -1.05 0.40 114.38 118.14 2x17 h ARG 56 Ca 0.01 -0.10 -0.21 0.00 0.07 0.00 0.00 59.98 59.75 2x17 h ARG 56 Cb 0.62 0.00 0.01 0.00 0.08 0.00 0.00 29.97 30.69 2x17 h ARG 56 CO 0.05 0.62 -0.76 0.74 -1.07 0.00 0.00 179.97 179.55 2x17 h PHE 57 N 0.16 0.93 -0.38 3.04 0.04 -1.25 -2.84 116.94 116.64 2x17 h PHE 57 Ca 0.01 -0.44 0.06 0.00 2.80 0.00 0.00 57.97 60.39 2x17 h PHE 57 Cb 0.88 -0.13 -0.05 0.00 2.20 0.00 0.00 35.95 38.85 2x17 h PHE 57 CO 0.01 1.27 0.08 -0.92 -0.60 0.00 0.00 178.31 178.15 2x17 h TYR 58 N 0.33 0.13 -0.45 -0.55 5.03 -1.01 -2.06 116.97 118.40 2x17 h TYR 58 Ca -0.07 0.02 -0.09 0.00 2.58 0.00 0.00 58.73 61.17 2x17 h TYR 58 Cb 1.41 -0.00 -0.02 0.00 1.55 0.00 0.00 36.73 39.67 2x17 h TYR 58 CO 0.10 0.02 -0.08 -0.91 -1.32 0.00 0.00 178.16 175.98 2x17 h ASN 59 N 0.21 0.78 -0.47 -2.11 2.35 -0.99 -3.06 115.58 112.28 2x17 h ASN 59 Ca 0.18 -0.22 -0.12 0.00 -0.55 0.00 0.00 56.30 55.60 2x17 h ASN 59 Cb 0.21 -0.21 -0.01 0.00 0.05 0.00 0.00 38.32 38.36 2x17 h ASN 59 CO -0.24 0.89 -0.16 0.22 -1.65 0.00 0.00 177.43 176.49 2x17 h TYR 60 N 0.73 1.08 -0.48 1.19 3.20 -1.26 -2.41 116.97 119.00 2x17 h TYR 60 Ca 0.13 -0.25 -0.00 0.00 3.14 0.00 0.00 58.73 61.75 2x17 h TYR 60 Cb 0.55 -0.26 -0.02 0.00 1.54 0.00 0.00 36.73 38.54 2x17 h TYR 60 CO 0.03 1.05 0.30 0.82 -1.64 0.00 0.00 178.16 178.71 2x17 h ILE 61 N 0.80 1.14 0.00 1.81 2.04 -1.31 -1.62 117.51 120.38 2x17 h ILE 61 Ca 0.11 -0.32 -0.05 0.00 1.00 0.00 0.00 64.86 65.60 2x17 h ILE 61 Cb 0.73 0.48 -0.01 0.00 -0.74 0.00 0.00 36.82 37.28 2x17 h ILE 61 CO 0.06 0.15 -0.26 1.88 0.00 0.00 0.00 178.15 179.97 2x17 h TYR 62 N 0.65 0.00 0.00 1.37 0.05 -1.56 0.17 116.97 117.65 2x17 h TYR 62 Ca 0.17 0.00 -0.09 0.00 0.05 0.00 0.00 58.73 58.86 2x17 h TYR 62 Cb -0.02 0.00 -0.01 0.00 1.01 0.00 0.00 36.73 37.71 2x17 h TYR 62 CO -0.03 0.26 -0.43 -0.44 -1.05 0.00 0.00 178.16 176.47 2x17 h ASP 63 N 0.00 0.00 -0.58 3.88 3.32 -0.90 -3.01 116.42 119.13 2x17 h ASP 63 Ca -0.00 0.00 -0.02 0.00 0.02 0.00 0.00 57.03 57.02 2x17 h ASP 63 Cb 0.89 0.00 -0.01 0.00 0.22 0.00 0.00 39.33 40.43 2x17 h ASP 63 CO 0.03 0.43 0.03 0.54 -1.72 0.00 0.00 179.24 178.56 2x17 n ARG 64 N -3.82 4.66 -2.84 3.56 5.12 -0.66 -4.93 116.66 117.76 2x17 n ARG 64 Ca -0.01 -3.04 -0.20 0.00 -1.93 0.00 0.00 57.85 52.67 2x17 n ARG 64 Cb 0.49 -2.24 0.03 0.00 -1.16 0.00 0.00 32.46 29.57 2x17 n ARG 64 CO 0.00 0.00 0.00 -1.71 -1.93 0.00 0.00 177.63 173.99 2x17 n ASN 65 N 0.52 -5.58 -2.56 0.55 5.15 -1.14 -4.04 115.26 108.17 2x17 n ASN 65 Ca 0.28 -0.22 -0.04 0.00 -0.60 0.00 0.00 54.58 54.00 2x17 n ASN 65 Cb 1.19 -4.44 0.01 0.00 -0.53 0.00 0.00 39.78 36.01 2x17 n ASN 65 CO 0.00 0.00 0.00 0.61 1.40 0.00 0.00 177.26 179.27 2x17 n GLY 66 N -1.38 2.23 2.89 8.20 0.00 0.56 -4.92 105.19 112.77 2x17 n GLY 66 Ca -0.12 -2.16 -0.21 0.00 0.00 0.00 0.00 46.02 43.53 2x17 n GLY 66 CO 0.00 0.00 0.00 -1.60 0.00 0.00 0.00 173.32 171.72 2x17 s ARG 67 N -2.48 0.94 -0.17 1.61 6.06 -1.26 -4.49 118.95 119.16 2x17 s ARG 67 Ca 0.10 -0.12 -0.23 0.00 -2.50 0.00 0.00 55.73 52.98 2x17 s ARG 67 Cb -0.01 -0.98 -0.02 0.00 0.06 0.00 0.00 34.95 34.01 2x17 s ARG 67 CO 0.06 -0.12 0.74 0.08 -2.50 0.00 0.00 175.30 173.57 2x17 s VAL 68 N 1.10 4.95 -0.19 7.11 1.01 -1.26 -5.01 120.40 128.11 2x17 s VAL 68 Ca -0.08 1.44 -0.01 0.00 0.00 0.00 0.00 61.98 63.33 2x17 s VAL 68 Cb -0.14 -4.05 0.00 0.00 0.00 0.00 0.00 36.38 32.19 2x17 s VAL 68 CO -0.01 0.08 -0.12 -0.70 0.00 0.00 0.00 175.10 174.34 2x17 s GLU 69 N 1.95 3.21 -0.37 2.72 2.12 -1.26 -5.10 118.70 121.97 2x17 s GLU 69 Ca 0.34 -0.72 -0.19 0.00 0.36 0.00 0.00 54.97 54.76 2x17 s GLU 69 Cb -0.16 -2.76 0.01 0.00 0.26 0.00 0.00 34.13 31.47 2x17 s GLU 69 CO 0.12 -0.14 0.57 -0.51 -0.54 0.00 0.00 175.26 174.76 2x17 s LEU 70 N 1.22 4.38 0.66 2.70 1.43 -1.26 -4.94 118.68 122.87 2x17 s LEU 70 Ca 0.02 -0.07 -0.06 0.00 -1.03 0.00 0.00 54.13 52.99 2x17 s LEU 70 Cb -0.14 -2.66 0.04 0.00 0.03 0.00 0.00 46.19 43.45 2x17 s LEU 70 CO -0.06 -0.58 0.97 -1.81 0.23 0.00 0.00 176.35 175.10 2x17 s ASP 71 N 1.82 5.12 0.77 2.29 1.01 -1.26 -5.06 116.67 121.36 2x17 s ASP 71 Ca 0.21 0.54 -0.13 0.00 0.71 0.00 0.00 52.55 53.88 2x17 s ASP 71 Cb -0.15 -1.32 0.06 0.00 1.01 0.00 0.00 42.92 42.52 2x17 s ASP 71 CO 0.15 -1.38 1.16 -1.83 0.21 0.00 0.00 175.17 173.47 2x17 s GLU 72 N -5.14 1.98 -0.27 8.23 -1.05 -1.26 -5.03 118.70 116.17 2x17 s GLU 72 Ca 0.58 1.54 -0.06 0.00 -0.15 0.00 0.00 54.97 56.88 2x17 s GLU 72 Cb -0.11 -1.84 -0.01 0.00 -0.44 0.00 0.00 34.13 31.74 2x17 s GLU 72 CO 0.45 -1.91 0.05 0.42 0.95 0.00 0.00 175.26 175.22 2x17 s ILE 73 N -2.37 3.95 0.69 1.83 1.01 -1.26 -5.07 121.20 119.98 2x17 s ILE 73 Ca 0.69 -0.50 -0.15 0.00 0.00 0.00 0.00 60.65 60.68 2x17 s ILE 73 Cb -0.24 -2.94 0.02 0.00 0.01 0.00 0.00 42.46 39.31 2x17 s ILE 73 CO 0.50 0.22 1.16 -2.16 0.00 0.00 0.00 174.94 174.66 2x17 s PRO 74 N 1.53 2.49 0.05 2.79 0.04 -1.26 -4.96 135.00 135.69 2x17 s PRO 74 Ca 0.04 1.61 -0.31 0.00 0.04 0.00 0.00 61.00 62.39 2x17 s PRO 74 Cb -0.16 -1.89 -0.08 0.00 0.04 0.00 0.00 34.50 32.41 2x17 s PRO 74 CO 0.02 -1.53 1.60 0.21 0.04 0.00 0.00 177.00 177.34 2x17 s LYS 75 N -3.93 4.21 0.64 4.56 2.20 -1.26 -5.01 119.74 121.15 2x17 s LYS 75 Ca 0.71 2.25 -0.10 0.00 -0.36 0.00 0.00 55.97 58.47 2x17 s LYS 75 Cb -0.25 -3.61 -0.02 0.00 -1.51 0.00 0.00 37.83 32.44 2x17 s LYS 75 CO 0.42 -0.71 1.03 -1.25 -0.36 0.00 0.00 175.35 174.48 2x17 s PRO 76 N 2.64 3.26 0.38 4.03 0.04 -1.26 -5.03 135.00 139.06 2x17 s PRO 76 Ca 0.72 0.54 -0.27 0.00 0.04 0.00 0.00 61.00 62.02 2x17 s PRO 76 Cb -0.38 -2.10 -0.11 0.00 0.04 0.00 0.00 34.50 31.96 2x17 s PRO 76 CO 0.31 -0.73 1.37 -2.30 0.04 0.00 0.00 177.00 175.69 2x17 n PRO 77 N -2.80 2.31 0.05 0.56 -0.02 -1.26 -4.95 135.00 128.89 2x17 n PRO 77 Ca 0.06 0.81 -0.23 0.00 -2.02 0.00 0.00 63.50 62.12 2x17 n PRO 77 Cb 0.56 -2.49 -0.15 0.00 -0.02 0.00 0.00 33.50 31.40 2x17 n PRO 77 CO 0.00 0.00 0.00 -0.22 1.98 0.00 0.00 175.50 177.26 2x17 h LYS 78 N 2.59 0.35 -4.73 -0.52 3.64 -1.95 -3.45 116.57 112.50 2x17 h LYS 78 Ca -0.49 -0.60 -0.27 0.00 -1.27 0.00 0.00 60.65 58.03 2x17 h LYS 78 Cb 1.27 0.22 -0.17 0.00 -0.41 0.00 0.00 32.23 33.14 2x17 h LYS 78 CO 0.62 1.29 -0.72 -1.21 -2.27 0.00 0.00 179.45 177.16 2x17 s GLU 79 N -2.55 0.76 0.13 1.90 2.02 -1.26 -4.68 118.70 115.02 2x17 s GLU 79 Ca -0.18 -1.13 0.04 0.00 0.02 0.00 0.00 54.97 53.73 2x17 s GLU 79 Cb 0.05 -0.33 -0.04 0.00 0.10 0.00 0.00 34.13 33.91 2x17 s GLU 79 CO 0.83 0.03 -0.10 -1.58 0.02 0.00 0.00 175.26 174.46 2x17 s TRP 80 N -2.66 1.21 0.15 1.61 0.51 -1.26 -5.07 118.94 113.42 2x17 s TRP 80 Ca 0.04 -0.74 -0.11 0.00 -2.12 0.00 0.00 56.10 53.17 2x17 s TRP 80 Cb -0.01 -0.63 -0.00 0.00 -0.81 0.00 0.00 33.47 32.02 2x17 s TRP 80 CO -0.02 0.05 1.54 0.93 -0.51 0.00 0.00 176.95 178.95 2x17 h GLU 81 N 2.98 0.97 -3.69 4.98 5.08 -2.01 -3.47 114.58 119.41 2x17 h GLU 81 Ca -0.37 -0.41 -0.08 0.00 -1.00 0.00 0.00 59.36 57.51 2x17 h GLU 81 Cb 1.19 -0.04 -0.13 0.00 0.50 0.00 0.00 28.75 30.27 2x17 h GLU 81 CO 0.61 1.08 -0.25 -1.54 -1.00 0.00 0.00 179.01 177.90 2x17 s SER 82 N -6.67 -0.02 0.45 1.42 1.04 -1.26 -5.00 113.70 103.66 2x17 s SER 82 Ca -0.12 -0.63 0.17 0.00 0.48 0.00 0.00 55.95 55.85 2x17 s SER 82 Cb 0.12 0.42 1.11 0.00 0.10 0.00 0.00 66.02 67.77 2x17 s SER 82 CO 0.86 -0.84 1.97 -0.65 0.98 0.00 0.00 173.24 175.57 2x17 h PRO 83 N 2.55 0.31 -0.33 4.02 0.11 -1.99 0.12 132.00 136.80 2x17 h PRO 83 Ca -0.33 -0.02 -0.03 0.00 0.11 0.00 0.00 66.00 65.74 2x17 h PRO 83 Cb 1.23 -0.07 -0.01 0.00 0.11 0.00 0.00 31.00 32.25 2x17 h PRO 83 CO 0.50 0.21 0.10 1.25 -0.21 0.00 0.00 178.00 179.84 2x17 h LEU 84 N 0.32 0.49 -1.06 2.35 5.85 -1.96 -2.13 115.31 119.18 2x17 h LEU 84 Ca 0.29 -0.21 -0.09 0.00 0.84 0.00 0.00 57.88 58.70 2x17 h LEU 84 Cb 0.70 -0.13 -0.01 0.00 0.37 0.00 0.00 40.66 41.59 2x17 h LEU 84 CO -0.07 0.57 -0.45 0.11 -0.34 0.00 0.00 178.44 178.27 2x17 h LYS 85 N 0.39 0.00 -0.40 1.25 1.79 -1.70 -1.58 116.57 116.32 2x17 h LYS 85 Ca 0.11 0.00 -0.15 0.00 -2.18 0.00 0.00 60.65 58.43 2x17 h LYS 85 Cb 0.26 0.00 -0.01 0.00 -1.58 0.00 0.00 32.23 30.90 2x17 h LYS 85 CO -0.00 0.45 -0.34 0.00 -1.08 0.00 0.00 179.45 178.47 2x17 h ALA 86 N 1.55 0.63 0.00 3.86 0.00 -0.66 -2.14 119.26 122.51 2x17 h ALA 86 Ca -0.00 -0.44 -0.09 0.00 0.00 0.00 0.00 54.91 54.37 2x17 h ALA 86 Cb 0.84 -0.13 -0.01 0.00 0.00 0.00 0.00 17.79 18.48 2x17 h ALA 86 CO 0.06 0.68 -0.45 0.74 0.00 0.00 0.00 179.25 180.27 2x17 h PHE 87 N 0.77 0.00 -0.49 0.00 0.04 -1.29 -2.52 116.94 113.44 2x17 h PHE 87 Ca 0.07 0.00 -0.11 0.00 2.80 0.00 0.00 57.97 60.74 2x17 h PHE 87 Cb 0.93 0.00 -0.02 0.00 2.20 0.00 0.00 35.95 39.06 2x17 h PHE 87 CO 0.06 0.45 -0.12 0.93 -0.60 0.00 0.00 178.31 179.03 2x17 h GLU 88 N 0.00 0.92 0.00 1.51 5.08 -1.14 -0.02 114.58 120.93 2x17 h GLU 88 Ca -0.00 -0.33 -0.12 0.00 -1.00 0.00 0.00 59.36 57.90 2x17 h GLU 88 Cb 1.19 -0.06 -0.02 0.00 0.50 0.00 0.00 28.75 30.36 2x17 h GLU 88 CO 0.06 0.99 -0.57 0.00 -1.00 0.00 0.00 179.01 178.48 2x17 h ALA 89 N 1.03 0.95 -0.10 3.43 0.00 -1.35 -2.29 119.26 120.94 2x17 h ALA 89 Ca 0.13 -0.52 -0.09 0.00 0.00 0.00 0.00 54.91 54.43 2x17 h ALA 89 Cb 0.66 -0.09 0.00 0.00 0.00 0.00 0.00 17.79 18.36 2x17 h ALA 89 CO 0.05 0.71 -0.30 0.00 0.00 0.00 0.00 179.25 179.71 2x17 h ALA 90 N 1.43 0.17 -0.06 0.00 0.00 -1.21 -2.14 119.26 117.45 2x17 h ALA 90 Ca -0.01 -0.42 -0.08 0.00 0.00 0.00 0.00 54.91 54.40 2x17 h ALA 90 Cb 1.08 -0.02 -0.01 0.00 0.00 0.00 0.00 17.79 18.84 2x17 h ALA 90 CO 0.07 0.19 -0.33 -0.92 0.00 0.00 0.00 179.25 178.27 2x17 h TYR 91 N -0.08 0.13 -0.43 0.00 3.20 -1.04 -0.80 116.97 117.95 2x17 h TYR 91 Ca -0.01 -0.03 -0.08 0.00 3.14 0.00 0.00 58.73 61.75 2x17 h TYR 91 Cb 0.92 -0.03 -0.01 0.00 1.54 0.00 0.00 36.73 39.14 2x17 h TYR 91 CO 0.12 0.43 -0.05 1.49 -1.64 0.00 0.00 178.16 178.51 2x17 h GLU 92 N 0.10 0.80 -0.02 1.82 4.81 -1.42 -2.65 114.58 118.01 2x17 h GLU 92 Ca 0.01 -0.28 -0.10 0.00 -0.13 0.00 0.00 59.36 58.86 2x17 h GLU 92 Cb 0.63 -0.06 -0.01 0.00 0.63 0.00 0.00 28.75 29.94 2x17 h GLU 92 CO 0.05 0.89 -0.46 1.25 -0.73 0.00 0.00 179.01 180.01 2x17 h HIS 93 N 0.63 0.06 -0.36 0.92 2.76 -0.97 -2.07 115.15 116.12 2x17 h HIS 93 Ca 0.12 -0.02 -0.07 0.00 -2.20 0.00 0.00 60.37 58.20 2x17 h HIS 93 Cb 0.57 -0.01 -0.02 0.00 1.55 0.00 0.00 27.41 29.50 2x17 h HIS 93 CO 0.04 0.50 -0.07 0.93 -1.30 0.00 0.00 177.93 178.04 2x17 h GLU 94 N 0.04 0.60 0.00 5.26 4.39 -1.05 -0.72 114.58 123.10 2x17 h GLU 94 Ca -0.00 -0.16 -0.12 0.00 0.34 0.00 0.00 59.36 59.42 2x17 h GLU 94 Cb 0.83 -0.07 -0.02 0.00 -0.10 0.00 0.00 28.75 29.40 2x17 h GLU 94 CO 0.06 0.67 -0.56 0.87 -1.16 0.00 0.00 179.01 178.89 2x17 h LYS 95 N 0.56 0.00 -0.29 2.33 1.57 -1.13 -1.88 116.57 117.73 2x17 h LYS 95 Ca 0.11 0.00 -0.10 0.00 -1.87 0.00 0.00 60.65 58.79 2x17 h LYS 95 Cb 0.46 0.00 -0.01 0.00 0.08 0.00 0.00 32.23 32.76 2x17 h LYS 95 CO 0.02 0.56 -0.21 0.35 -0.57 0.00 0.00 179.45 179.61 2x17 h PHE 96 N 0.00 0.77 -0.24 -1.35 3.57 -0.84 -1.41 116.94 117.44 2x17 h PHE 96 Ca -0.01 -0.21 -0.04 0.00 3.53 0.00 0.00 57.97 61.24 2x17 h PHE 96 Cb 1.09 -0.17 -0.01 0.00 2.79 0.00 0.00 35.95 39.65 2x17 h PHE 96 CO 0.00 0.92 -0.02 0.82 -2.23 0.00 0.00 178.31 177.80 2x17 h ILE 97 N 0.40 1.27 -0.88 1.41 1.08 -1.12 -2.07 117.51 117.59 2x17 h ILE 97 Ca 0.06 -0.95 0.03 0.00 -0.39 0.00 0.00 64.86 63.60 2x17 h ILE 97 Cb 0.75 1.41 -0.05 0.00 -3.07 0.00 0.00 36.82 35.87 2x17 h ILE 97 CO 0.06 0.30 0.58 0.28 -0.69 0.00 0.00 178.15 178.68 2x17 h SER 98 N 0.20 0.96 -0.19 1.72 0.02 -1.38 -1.58 113.55 113.30 2x17 h SER 98 Ca 0.07 -0.01 -0.00 0.00 -0.84 0.00 0.00 61.79 61.00 2x17 h SER 98 Cb 0.45 -0.23 -0.01 0.00 0.14 0.00 0.00 62.40 62.75 2x17 h SER 98 CO 0.02 0.67 0.12 0.50 -1.14 0.00 0.00 176.83 176.99 2x17 h LYS 99 N 1.12 0.26 0.00 3.45 3.64 -1.10 -2.27 116.57 121.67 2x17 h LYS 99 Ca 0.35 -0.02 -0.06 0.00 -1.27 0.00 0.00 60.65 59.64 2x17 h LYS 99 Cb -0.01 -0.06 -0.01 0.00 -0.41 0.00 0.00 32.23 31.75 2x17 h LYS 99 CO -0.10 0.20 -0.30 0.66 -2.27 0.00 0.00 179.45 177.65 2x17 h SER 100 N 0.24 0.00 -0.03 4.20 4.64 -0.99 -2.06 113.55 119.55 2x17 h SER 100 Ca 0.07 0.00 -0.14 0.00 -0.47 0.00 0.00 61.79 61.24 2x17 h SER 100 Cb 0.01 0.00 -0.01 0.00 -0.31 0.00 0.00 62.40 62.09 2x17 h SER 100 CO -0.01 0.30 -0.46 0.40 -0.87 0.00 0.00 176.83 176.19 2x17 h ILE 101 N 0.00 1.31 -0.57 0.95 1.08 -1.18 -2.62 117.51 116.48 2x17 h ILE 101 Ca -0.00 -1.66 -0.10 0.00 -0.39 0.00 0.00 64.86 62.71 2x17 h ILE 101 Cb 0.79 1.63 -0.02 0.00 -3.07 0.00 0.00 36.82 36.14 2x17 h ILE 101 CO 0.04 0.52 -0.04 1.88 -0.69 0.00 0.00 178.15 179.86 2x17 h TYR 102 N 0.46 1.13 -0.81 1.37 0.05 -0.80 -1.84 116.97 116.54 2x17 h TYR 102 Ca 0.03 -0.20 -0.03 0.00 0.05 0.00 0.00 58.73 58.57 2x17 h TYR 102 Cb 0.98 -0.29 -0.04 0.00 1.01 0.00 0.00 36.73 38.39 2x17 h TYR 102 CO 0.04 1.01 0.38 0.93 -1.05 0.00 0.00 178.16 179.47 2x17 h GLU 103 N 0.93 1.17 -0.74 4.88 5.08 -1.35 0.14 114.58 124.69 2x17 h GLU 103 Ca 0.16 -0.18 -0.06 0.00 -1.00 0.00 0.00 59.36 58.28 2x17 h GLU 103 Cb 0.59 -0.21 -0.03 0.00 0.50 0.00 0.00 28.75 29.60 2x17 h GLU 103 CO 0.04 0.91 0.22 -0.07 -1.00 0.00 0.00 179.01 179.11 2x17 h LEU 104 N 1.15 1.09 -0.74 1.33 3.38 -1.36 0.26 115.31 120.42 2x17 h LEU 104 Ca 0.28 -0.21 -0.12 0.00 0.09 0.00 0.00 57.88 57.92 2x17 h LEU 104 Cb 0.13 -0.29 -0.01 0.00 0.09 0.00 0.00 40.66 40.58 2x17 h LEU 104 CO -0.03 1.01 -0.28 0.00 0.09 0.00 0.00 178.44 179.23 2x17 h ALA 105 N 1.13 0.92 -0.14 1.53 0.00 -0.88 -0.91 119.26 120.90 2x17 h ALA 105 Ca 0.24 -0.38 -0.13 0.00 0.00 0.00 0.00 54.91 54.63 2x17 h ALA 105 Cb 0.32 -0.13 -0.01 0.00 0.00 0.00 0.00 17.79 17.97 2x17 h ALA 105 CO -0.01 0.62 -0.49 0.00 0.00 0.00 0.00 179.25 179.37 2x17 h ALA 106 N 1.13 0.89 -0.27 0.00 0.00 -0.52 -2.72 119.26 117.77 2x17 h ALA 106 Ca 0.07 -0.48 -0.04 0.00 0.00 0.00 0.00 54.91 54.46 2x17 h ALA 106 Cb 0.77 -0.09 -0.01 0.00 0.00 0.00 0.00 17.79 18.46 2x17 h ALA 106 CO 0.06 0.66 0.00 -0.07 0.00 0.00 0.00 179.25 179.91 2x17 h LEU 107 N 0.29 0.47 -0.77 0.00 4.07 -0.69 -2.74 115.31 115.94 2x17 h LEU 107 Ca 0.01 -0.30 -0.01 0.00 0.08 0.00 0.00 57.88 57.66 2x17 h LEU 107 Cb 0.98 -0.13 -0.04 0.00 1.08 0.00 0.00 40.66 42.56 2x17 h LEU 107 CO 0.08 0.66 0.43 0.00 -1.08 0.00 0.00 178.44 178.53 2x17 h ALA 108 N 0.83 0.99 -0.07 1.53 0.00 -1.14 -2.08 119.26 119.32 2x17 h ALA 108 Ca 0.08 -0.12 -0.10 0.00 0.00 0.00 0.00 54.91 54.77 2x17 h ALA 108 Cb 0.41 -0.31 -0.01 0.00 0.00 0.00 0.00 17.79 17.88 2x17 h ALA 108 CO 0.01 0.50 -0.41 0.93 0.00 0.00 0.00 179.25 180.28 2x17 h GLU 109 N 1.07 0.16 -0.17 0.00 5.08 -1.52 0.28 114.58 119.47 2x17 h GLU 109 Ca 0.27 -0.07 -0.19 0.00 -1.00 0.00 0.00 59.36 58.38 2x17 h GLU 109 Cb 0.03 -0.00 -0.00 0.00 0.50 0.00 0.00 28.75 29.27 2x17 h GLU 109 CO -0.04 0.54 -0.65 1.49 -1.00 0.00 0.00 179.01 179.35 2x17 h GLU 110 N 0.13 0.64 0.00 2.33 4.81 -1.15 -3.00 114.58 118.34 2x17 h GLU 110 Ca 0.01 -0.45 0.00 0.00 -0.13 0.00 0.00 59.36 58.79 2x17 h GLU 110 Cb 0.78 0.07 0.00 0.00 0.63 0.00 0.00 28.75 30.24 2x17 h GLU 110 CO 0.06 1.07 -0.15 0.39 -0.73 0.00 0.00 179.01 179.65 2x17 n GLU 111 N -3.93 0.01 -2.46 1.92 1.02 -0.81 -4.93 120.64 111.46 2x17 n GLU 111 Ca -0.05 0.01 -0.18 0.00 -0.02 0.00 0.00 57.16 56.92 2x17 n GLU 111 Cb 0.67 -1.51 -0.00 0.00 -0.02 0.00 0.00 31.44 30.57 2x17 n GLU 111 CO 0.00 0.00 0.00 1.63 1.18 0.00 0.00 177.13 179.94 2x17 n LYS 112 N -1.54 -2.01 -2.70 3.49 5.02 -0.46 -4.94 118.16 115.02 2x17 n LYS 112 Ca 0.06 0.87 -0.43 0.00 -2.02 0.00 0.00 58.31 56.79 2x17 n LYS 112 Cb 0.34 -5.41 -0.01 0.00 -0.02 0.00 0.00 35.03 29.94 2x17 n LYS 112 CO 0.00 0.00 0.00 0.34 -0.52 0.00 0.00 177.40 177.22 2x17 s ASP 113 N -2.29 6.80 0.38 4.39 -1.08 0.86 -4.83 116.67 120.91 2x17 s ASP 113 Ca 0.05 -2.33 0.10 0.00 -0.52 0.00 0.00 52.55 49.85 2x17 s ASP 113 Cb -0.02 -2.51 0.77 0.00 -1.46 0.00 0.00 42.92 39.70 2x17 s ASP 113 CO 0.06 -1.13 1.90 1.88 0.52 0.00 0.00 175.17 178.41 2x17 h TYR 114 N 8.07 0.22 -0.38 -5.34 -1.99 -1.92 -2.43 116.97 113.20 2x17 h TYR 114 Ca 0.33 -0.03 -0.01 0.00 2.00 0.00 0.00 58.73 61.03 2x17 h TYR 114 Cb 0.92 -0.06 -0.02 0.00 2.00 0.00 0.00 36.73 39.57 2x17 h TYR 114 CO 1.29 0.37 0.20 0.77 -0.00 0.00 0.00 178.16 180.79 2x17 h SER 115 N 0.19 0.49 -0.12 3.88 0.02 -1.96 0.98 113.55 117.03 2x17 h SER 115 Ca 0.04 -0.10 -0.18 0.00 -0.84 0.00 0.00 61.79 60.71 2x17 h SER 115 Cb 0.42 -0.12 -0.00 0.00 0.14 0.00 0.00 62.40 62.83 2x17 h SER 115 CO 0.03 0.45 -0.59 0.74 -1.14 0.00 0.00 176.83 176.32 2x17 h THR 116 N 0.49 1.30 -0.68 -2.27 2.02 -1.93 -1.27 112.91 110.56 2x17 h THR 116 Ca 0.13 -1.81 -0.03 0.00 0.77 0.00 0.00 66.41 65.47 2x17 h THR 116 Cb 0.08 1.75 -0.03 0.00 -1.74 0.00 0.00 68.15 68.21 2x17 h THR 116 CO -0.02 0.58 0.30 -0.09 0.37 0.00 0.00 175.52 176.65 2x17 h ARG 117 N 0.54 1.00 -0.19 6.66 9.65 -1.28 -0.18 114.38 130.60 2x17 h ARG 117 Ca 0.00 -0.17 -0.12 0.00 -1.10 0.00 0.00 59.98 58.59 2x17 h ARG 117 Cb 1.17 -0.17 -0.01 0.00 -1.39 0.00 0.00 29.97 29.57 2x17 h ARG 117 CO 0.12 0.82 -0.40 0.00 2.80 0.00 0.00 179.97 183.30 2x17 h ALA 118 N 1.14 0.96 -0.57 2.80 0.00 -0.76 -3.05 119.26 119.77 2x17 h ALA 118 Ca 0.23 -0.43 -0.09 0.00 0.00 0.00 0.00 54.91 54.62 2x17 h ALA 118 Cb 0.17 -0.10 -0.02 0.00 0.00 0.00 0.00 17.79 17.84 2x17 h ALA 118 CO -0.02 0.62 0.00 0.35 0.00 0.00 0.00 179.25 180.20 2x17 h PHE 119 N 0.36 1.10 0.00 0.00 3.57 -0.84 -3.10 116.94 118.03 2x17 h PHE 119 Ca 0.03 -0.19 0.00 0.00 3.53 0.00 0.00 57.97 61.34 2x17 h PHE 119 Cb 0.87 -0.29 0.00 0.00 2.79 0.00 0.00 35.95 39.32 2x17 h PHE 119 CO 0.03 0.98 0.00 1.28 -2.23 0.00 0.00 178.31 178.37 2x17 n LEU 120 N -4.23 0.46 0.19 0.59 4.77 -0.11 -3.12 117.00 115.53 2x17 n LEU 120 Ca 0.02 0.59 0.05 0.00 -0.03 0.00 0.00 56.01 56.64 2x17 n LEU 120 Cb 0.34 -0.50 0.50 0.00 -2.33 0.00 0.00 43.42 41.43 2x17 n LEU 120 CO 0.44 -0.35 0.96 -0.08 -1.33 0.00 0.00 177.39 177.03 2x17 h GLU 121 N 0.00 0.11 -0.56 3.23 4.57 -1.45 -2.17 114.58 118.31 2x17 h GLU 121 Ca 0.00 -0.02 -0.08 0.00 -1.18 0.00 0.00 59.36 58.09 2x17 h GLU 121 Cb 0.42 -0.02 -0.02 0.00 -0.16 0.00 0.00 28.75 28.97 2x17 h GLU 121 CO 0.00 0.20 0.06 2.35 -1.18 0.00 0.00 179.01 180.44 2x17 h TRP 122 N 0.11 1.03 -0.01 0.92 7.01 -1.74 -2.83 115.95 120.44 2x17 h TRP 122 Ca 0.02 -0.16 -0.16 0.00 2.11 0.00 0.00 58.89 60.70 2x17 h TRP 122 Cb 0.22 -0.28 -0.02 0.00 -2.10 0.00 0.00 29.16 26.98 2x17 h TRP 122 CO 0.00 0.91 -0.75 0.74 -2.79 0.00 0.00 178.44 176.56 2x17 h PHE 123 N 0.85 0.11 -0.17 2.65 0.04 -1.63 -1.53 116.94 117.25 2x17 h PHE 123 Ca 0.17 -0.05 -0.02 0.00 2.80 0.00 0.00 57.97 60.87 2x17 h PHE 123 Cb 0.46 -0.01 -0.01 0.00 2.20 0.00 0.00 35.95 38.59 2x17 h PHE 123 CO 0.03 0.79 0.05 0.82 -0.60 0.00 0.00 178.31 179.40 2x17 h ILE 124 N 0.05 1.20 -0.24 -0.55 2.04 -1.40 -0.55 117.51 118.06 2x17 h ILE 124 Ca -0.02 -0.62 -0.07 0.00 1.00 0.00 0.00 64.86 65.16 2x17 h ILE 124 Cb 1.32 1.28 -0.01 0.00 -0.74 0.00 0.00 36.82 38.66 2x17 h ILE 124 CO 0.10 0.19 -0.15 0.78 0.00 0.00 0.00 178.15 179.07 2x17 h ASN 125 N 0.09 0.39 -0.29 1.72 2.35 -1.48 -3.07 115.58 115.29 2x17 h ASN 125 Ca 0.05 -0.10 -0.18 0.00 -0.55 0.00 0.00 56.30 55.53 2x17 h ASN 125 Cb 0.25 -0.10 -0.00 0.00 0.05 0.00 0.00 38.32 38.51 2x17 h ASN 125 CO -0.00 0.57 -0.51 -0.08 -1.65 0.00 0.00 177.43 175.77 2x17 h GLU 126 N 0.38 0.86 0.00 0.81 4.22 -1.12 -3.22 114.58 116.51 2x17 h GLU 126 Ca 0.07 -0.53 -0.04 0.00 0.08 0.00 0.00 59.36 58.94 2x17 h GLU 126 Cb 0.49 0.06 -0.01 0.00 0.50 0.00 0.00 28.75 29.79 2x17 h GLU 126 CO 0.03 1.17 -0.18 1.96 -2.18 0.00 0.00 179.01 179.81 2x17 h GLN 127 N 0.64 0.00 -0.52 1.92 1.08 -1.03 -1.21 115.11 116.00 2x17 h GLN 127 Ca 0.02 0.00 -0.07 0.00 -1.45 0.00 0.00 58.65 57.15 2x17 h GLN 127 Cb 1.11 0.00 -0.02 0.00 -0.05 0.00 0.00 27.48 28.52 2x17 h GLN 127 CO 0.11 0.18 0.04 0.28 -0.95 0.00 0.00 178.83 178.50 2x17 h VAL 128 N 0.00 1.26 -0.43 -0.54 2.07 -1.54 -0.08 116.25 116.99 2x17 h VAL 128 Ca -0.00 -1.01 -0.07 0.00 0.82 0.00 0.00 66.70 66.43 2x17 h VAL 128 Cb 0.60 0.90 -0.02 0.00 -1.52 0.00 0.00 31.29 31.25 2x17 h VAL 128 CO 0.02 0.36 -0.00 -0.33 0.02 0.00 0.00 177.57 177.64 2x17 h GLU 129 N 0.76 0.76 -0.33 1.57 5.08 -1.48 -2.77 114.58 118.16 2x17 h GLU 129 Ca 0.15 -0.24 -0.01 0.00 -1.00 0.00 0.00 59.36 58.25 2x17 h GLU 129 Cb 0.46 -0.07 -0.02 0.00 0.50 0.00 0.00 28.75 29.63 2x17 h GLU 129 CO 0.02 0.83 0.15 0.93 -1.00 0.00 0.00 179.01 179.94 2x17 h GLU 130 N 0.60 0.48 -0.43 2.33 4.39 -1.07 0.26 114.58 121.14 2x17 h GLU 130 Ca 0.12 -0.07 -0.05 0.00 0.34 0.00 0.00 59.36 59.70 2x17 h GLU 130 Cb 0.49 -0.08 -0.02 0.00 -0.10 0.00 0.00 28.75 29.04 2x17 h GLU 130 CO 0.02 0.45 0.07 0.93 -1.16 0.00 0.00 179.01 179.32 2x17 h GLU 131 N 0.40 0.71 -0.02 2.33 5.08 -1.08 -2.49 114.58 119.50 2x17 h GLU 131 Ca 0.11 -0.19 -0.09 0.00 -1.00 0.00 0.00 59.36 58.20 2x17 h GLU 131 Cb 0.13 -0.08 -0.01 0.00 0.50 0.00 0.00 28.75 29.29 2x17 h GLU 131 CO -0.01 0.74 -0.39 0.00 -1.00 0.00 0.00 179.01 178.34 2x17 h ALA 132 N 0.94 1.32 -0.36 3.43 0.00 -1.37 -0.79 119.26 122.42 2x17 h ALA 132 Ca 0.13 -0.36 -0.16 0.00 0.00 0.00 0.00 54.91 54.51 2x17 h ALA 132 Cb 0.37 -0.07 -0.00 0.00 0.00 0.00 0.00 17.79 18.09 2x17 h ALA 132 CO 0.01 0.51 -0.40 1.03 0.00 0.00 0.00 179.25 180.39 2x17 h SER 133 N 0.03 0.97 0.09 0.00 0.87 -0.80 -2.49 113.55 112.22 2x17 h SER 133 Ca 0.00 -0.48 -0.21 0.00 -1.23 0.00 0.00 61.79 59.87 2x17 h SER 133 Cb 0.71 -0.28 0.02 0.00 -0.44 0.00 0.00 62.40 62.42 2x17 h SER 133 CO 0.05 1.25 -0.89 0.58 -0.53 0.00 0.00 176.83 177.30 2x17 h VAL 134 N 0.71 1.41 -0.71 2.23 2.07 -1.32 -3.31 116.25 117.33 2x17 h VAL 134 Ca 0.05 -2.35 -0.01 0.00 0.82 0.00 0.00 66.70 65.21 2x17 h VAL 134 Cb 1.00 2.83 -0.03 0.00 -1.52 0.00 0.00 31.29 33.56 2x17 h VAL 134 CO 0.10 0.69 0.42 0.50 0.02 0.00 0.00 177.57 179.30 2x17 h LYS 135 N -0.06 0.96 -0.61 1.57 1.63 -1.22 -1.26 116.57 117.57 2x17 h LYS 135 Ca -0.14 -0.09 0.05 0.00 -0.85 0.00 0.00 60.65 59.63 2x17 h LYS 135 Cb 1.63 -0.20 -0.05 0.00 -0.60 0.00 0.00 32.23 33.00 2x17 h LYS 135 CO 0.17 0.68 0.33 -0.22 -3.45 0.00 0.00 179.45 176.96 2x17 h LYS 136 N 0.98 0.61 0.00 1.90 3.64 -1.54 -0.71 116.57 121.45 2x17 h LYS 136 Ca 0.25 -0.04 -0.21 0.00 -1.27 0.00 0.00 60.65 59.39 2x17 h LYS 136 Cb -0.03 -0.14 -0.00 0.00 -0.41 0.00 0.00 32.23 31.65 2x17 h LYS 136 CO -0.05 0.40 -0.91 0.82 -2.27 0.00 0.00 179.45 177.45 2x17 h ILE 137 N 0.63 1.45 -0.65 2.00 2.04 -1.56 -3.02 117.51 118.40 2x17 h ILE 137 Ca 0.27 -2.53 0.01 0.00 1.00 0.00 0.00 64.86 63.61 2x17 h ILE 137 Cb 0.16 2.44 -0.03 0.00 -0.74 0.00 0.00 36.82 38.65 2x17 h ILE 137 CO -0.17 0.75 0.42 0.25 0.00 0.00 0.00 178.15 179.40 2x17 h LEU 138 N 0.17 0.73 -1.38 1.44 6.46 -0.84 -1.74 115.31 120.16 2x17 h LEU 138 Ca -0.06 -0.02 -0.05 0.00 -0.12 0.00 0.00 57.88 57.64 2x17 h LEU 138 Cb 1.54 -0.18 -0.01 0.00 -0.73 0.00 0.00 40.66 41.29 2x17 h LEU 138 CO 0.15 0.53 -0.22 0.44 -0.62 0.00 0.00 178.44 178.72 2x17 h ASP 139 N 0.86 0.00 1.40 1.25 3.32 -1.15 -0.91 116.42 121.19 2x17 h ASP 139 Ca 0.24 0.00 -0.09 0.00 0.02 0.00 0.00 57.03 57.20 2x17 h ASP 139 Cb -0.08 0.00 -0.01 0.00 0.22 0.00 0.00 39.33 39.45 2x17 h ASP 139 CO -0.06 0.22 -0.43 0.11 -1.72 0.00 0.00 179.24 177.36 2x17 h LYS 140 N 0.00 0.00 0.00 3.56 1.57 -1.29 -1.55 116.57 118.86 2x17 h LYS 140 Ca -0.00 0.00 -0.21 0.00 -1.87 0.00 0.00 60.65 58.57 2x17 h LYS 140 Cb 0.62 0.00 -0.03 0.00 0.08 0.00 0.00 32.23 32.90 2x17 h LYS 140 CO 0.03 0.43 -1.13 -0.07 -0.57 0.00 0.00 179.45 178.14 2x17 h LEU 141 N 0.00 0.00 -0.87 2.94 3.38 -0.74 -2.77 115.31 117.25 2x17 h LEU 141 Ca -0.00 0.00 -0.12 0.00 0.09 0.00 0.00 57.88 57.85 2x17 h LEU 141 Cb 1.24 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 41.98 2x17 h LEU 141 CO 0.06 0.90 -0.49 0.11 0.09 0.00 0.00 178.44 179.10 2x17 h LYS 142 N 0.00 0.17 0.00 1.13 1.57 -1.19 -3.08 116.57 115.17 2x17 h LYS 142 Ca -0.09 -0.10 -0.00 0.00 -1.87 0.00 0.00 60.65 58.60 2x17 h LYS 142 Cb 1.76 0.01 -0.00 0.00 0.08 0.00 0.00 32.23 34.08 2x17 h LYS 142 CO 0.10 0.63 -0.02 0.35 -0.57 0.00 0.00 179.45 179.94 2x17 h PHE 143 N 0.14 0.00 -2.16 -1.35 3.57 -1.22 -3.32 116.94 112.60 2x17 h PHE 143 Ca 0.01 0.00 -0.58 0.00 3.53 0.00 0.00 57.97 60.93 2x17 h PHE 143 Cb 0.92 0.00 -0.41 0.00 2.79 0.00 0.00 35.95 39.25 2x17 h PHE 143 CO 0.01 0.02 -0.78 0.00 -2.23 0.00 0.00 178.31 175.34 2x17 n ALA 144 N -2.10 3.67 0.12 2.41 0.00 -1.05 -4.96 120.51 118.60 2x17 n ALA 144 Ca 0.01 -4.33 -0.05 0.00 0.00 0.00 0.00 53.44 49.07 2x17 n ALA 144 Cb 0.36 -0.84 -0.02 0.00 0.00 0.00 0.00 19.45 18.94 2x17 n ALA 144 CO 0.00 0.00 0.00 0.87 0.00 0.00 0.00 177.50 178.37 2x17 h LYS 145 N 3.70 -0.31 -1.84 0.00 1.57 -1.67 -3.34 116.57 114.68 2x17 h LYS 145 Ca 0.14 0.02 -0.70 0.00 -1.87 0.00 0.00 60.65 58.24 2x17 h LYS 145 Cb 0.70 0.07 -0.33 0.00 0.08 0.00 0.00 32.23 32.75 2x17 h LYS 145 CO 0.72 -0.20 0.38 -0.25 -0.57 0.00 0.00 179.45 179.52 2x17 n ASP 146 N -3.07 6.44 -3.62 0.86 8.00 -1.26 -4.89 116.55 119.01 2x17 n ASP 146 Ca -0.04 -3.79 -0.29 0.00 0.71 0.00 0.00 54.79 51.38 2x17 n ASP 146 Cb 0.13 -0.84 -0.15 0.00 -0.02 0.00 0.00 41.12 40.23 2x17 n ASP 146 CO 0.00 0.00 0.00 -0.55 -0.39 0.00 0.00 177.20 176.26 2x17 s SER 147 N -2.03 3.68 0.27 -2.24 0.15 -1.26 -4.97 113.70 107.31 2x17 s SER 147 Ca 0.50 -1.39 0.25 0.00 0.70 0.00 0.00 55.95 56.01 2x17 s SER 147 Cb 0.41 -0.55 0.91 0.00 -1.71 0.00 0.00 66.02 65.08 2x17 s SER 147 CO -0.32 -0.43 1.75 -0.65 1.20 0.00 0.00 173.24 174.80 2x17 h PRO 148 N 8.29 0.00 -0.38 5.44 0.11 -1.90 -3.09 132.00 140.47 2x17 h PRO 148 Ca -0.17 0.00 -0.15 0.00 0.11 0.00 0.00 66.00 65.79 2x17 h PRO 148 Cb 1.02 0.00 -0.01 0.00 0.11 0.00 0.00 31.00 32.12 2x17 h PRO 148 CO 0.45 0.00 -0.34 1.96 -0.21 0.00 0.00 178.00 179.86 2x17 h GLN 149 N 0.00 0.89 0.03 1.05 7.50 -1.99 -2.13 115.11 120.47 2x17 h GLN 149 Ca 0.00 -0.46 -0.22 0.00 0.50 0.00 0.00 58.65 58.47 2x17 h GLN 149 Cb 0.56 0.01 -0.02 0.00 0.05 0.00 0.00 27.48 28.09 2x17 h GLN 149 CO 0.00 1.11 -1.04 0.82 -1.50 0.00 0.00 178.83 178.22 2x17 h ILE 150 N 0.70 1.64 -0.34 2.54 2.04 -1.96 -2.75 117.51 119.38 2x17 h ILE 150 Ca 0.06 -3.23 -0.06 0.00 1.00 0.00 0.00 64.86 62.63 2x17 h ILE 150 Cb 0.93 2.82 -0.02 0.00 -0.74 0.00 0.00 36.82 39.81 2x17 h ILE 150 CO 0.09 0.93 -0.05 0.25 0.00 0.00 0.00 178.15 179.36 2x17 h LEU 151 N 0.03 0.53 -0.44 1.44 5.85 -1.55 0.16 115.31 121.32 2x17 h LEU 151 Ca -0.04 -0.12 -0.10 0.00 0.84 0.00 0.00 57.88 58.46 2x17 h LEU 151 Cb 1.78 -0.14 -0.01 0.00 0.37 0.00 0.00 40.66 42.65 2x17 h LEU 151 CO 0.15 0.63 -0.12 0.15 -0.34 0.00 0.00 178.44 178.91 2x17 h PHE 152 N 0.52 0.96 -0.02 1.25 3.57 -1.37 -2.21 116.94 119.65 2x17 h PHE 152 Ca 0.10 -0.21 -0.14 0.00 3.53 0.00 0.00 57.97 61.26 2x17 h PHE 152 Cb 0.41 -0.23 -0.02 0.00 2.79 0.00 0.00 35.95 38.90 2x17 h PHE 152 CO 0.02 0.97 -0.62 0.52 -2.23 0.00 0.00 178.31 176.96 2x17 h MET 153 N 0.68 0.06 -0.22 1.11 2.86 -1.17 -2.95 114.93 115.30 2x17 h MET 153 Ca 0.11 -0.04 -0.13 0.00 -2.06 0.00 0.00 59.70 57.58 2x17 h MET 153 Cb 0.67 0.01 -0.01 0.00 0.06 0.00 0.00 31.60 32.32 2x17 h MET 153 CO 0.05 0.66 -0.40 -0.07 1.06 0.00 0.00 176.91 178.21 2x17 h LEU 154 N 0.04 0.54 -0.92 1.22 3.38 -0.66 -2.79 115.31 116.12 2x17 h LEU 154 Ca -0.01 -0.23 -0.05 0.00 0.09 0.00 0.00 57.88 57.67 2x17 h LEU 154 Cb 1.11 -0.15 -0.03 0.00 0.09 0.00 0.00 40.66 41.68 2x17 h LEU 154 CO 0.08 0.88 0.17 -0.78 0.09 0.00 0.00 178.44 178.89 2x17 h ASP 155 N 0.42 0.90 0.13 -0.43 3.58 -1.24 -2.03 116.42 117.76 2x17 h ASP 155 Ca 0.04 -0.17 -0.17 0.00 0.42 0.00 0.00 57.03 57.15 2x17 h ASP 155 Cb 0.88 -0.24 -0.01 0.00 1.72 0.00 0.00 39.33 41.69 2x17 h ASP 155 CO 0.08 0.86 -0.63 0.50 -2.88 0.00 0.00 179.24 177.17 2x17 h LYS 156 N 0.93 0.48 -0.13 0.28 3.64 -1.50 -2.72 116.57 117.55 2x17 h LYS 156 Ca 0.20 -0.34 -0.13 0.00 -1.27 0.00 0.00 60.65 59.11 2x17 h LYS 156 Cb 0.30 0.05 -0.01 0.00 -0.41 0.00 0.00 32.23 32.17 2x17 h LYS 156 CO -0.00 0.96 -0.48 0.93 -2.27 0.00 0.00 179.45 178.58 2x17 h GLU 157 N 0.35 0.34 0.00 1.90 5.08 -1.24 -3.10 114.58 117.91 2x17 h GLU 157 Ca -0.01 -0.19 0.00 0.00 -1.00 0.00 0.00 59.36 58.16 2x17 h GLU 157 Cb 1.18 0.01 0.00 0.00 0.50 0.00 0.00 28.75 30.45 2x17 h GLU 157 CO 0.11 0.75 -0.38 -0.07 -1.00 0.00 0.00 179.01 178.42 2x17 h LEU 158 N 0.27 0.00 -0.91 1.33 3.38 -1.40 -3.28 115.31 114.70 2x17 h LEU 158 Ca 0.01 -0.08 0.00 0.00 0.09 0.00 0.00 57.88 57.90 2x17 h LEU 158 Cb 0.95 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.70 2x17 h LEU 158 CO 0.08 0.04 0.00 -1.54 0.09 0.00 0.00 178.44 177.11 2x17 n SER 159 N -2.40 0.67 -0.14 -0.43 3.41 -1.03 -2.18 113.62 111.52 2x17 n SER 159 Ca 0.04 0.70 -0.00 0.00 -0.26 0.00 0.00 58.87 59.34 2x17 n SER 159 Cb 0.47 -0.83 0.25 0.00 -0.26 0.00 0.00 64.21 63.84 2x17 n SER 159 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 2x17 h ALA 160 N 2.19 1.40 -2.44 7.33 0.00 -1.70 -3.40 119.26 122.64 2x17 h ALA 160 Ca 0.00 -0.11 -0.59 0.00 0.00 0.00 0.00 54.91 54.21 2x17 h ALA 160 Cb 0.28 -0.24 -0.08 0.00 0.00 0.00 0.00 17.79 17.75 2x17 h ALA 160 CO 0.00 0.48 0.30 0.50 0.00 0.00 0.00 179.25 180.53 2x17 s ARG 161 N -5.51 4.25 0.06 0.00 3.52 -0.93 -5.06 118.95 115.29 2x17 s ARG 161 Ca -0.10 0.86 0.03 0.00 -0.13 0.00 0.00 55.73 56.40 2x17 s ARG 161 Cb 0.17 -3.58 -0.03 0.00 -1.56 0.00 0.00 34.95 29.95 2x17 s ARG 161 CO 0.78 -0.32 -0.10 0.00 -0.81 0.00 0.00 175.30 174.85 2x17 s ALA 162 N 2.14 0.83 0.49 6.12 0.00 -1.26 -3.72 121.76 126.37 2x17 s ALA 162 Ca 0.34 -0.89 -0.24 0.00 0.00 0.00 0.00 51.96 51.17 2x17 s ALA 162 Cb -0.16 -0.00 -0.07 0.00 0.00 0.00 0.00 23.12 22.89 2x17 s ALA 162 CO 0.11 0.04 1.40 -1.25 0.00 0.00 0.00 175.76 176.06 2x17 s PRO 163 N -1.78 3.43 -0.03 0.00 0.04 -1.26 -4.76 135.00 130.64 2x17 s PRO 163 Ca -0.05 2.35 0.21 0.00 0.04 0.00 0.00 61.00 63.54 2x17 s PRO 163 Cb -0.09 -2.48 -0.32 0.00 0.04 0.00 0.00 34.50 31.65 2x17 s PRO 163 CO 0.01 -0.99 0.45 1.63 0.04 0.00 0.00 177.00 178.14 2x17 n LYS 164 N -0.57 0.63 -0.03 4.56 5.02 -1.26 -4.59 118.16 121.92 2x17 n LYS 164 Ca 0.07 -0.19 -0.13 0.00 -2.02 0.00 0.00 58.31 56.04 2x17 n LYS 164 Cb 0.43 -1.50 -0.10 0.00 -0.02 0.00 0.00 35.03 33.85 2x17 n LYS 164 CO 0.00 0.00 0.00 1.25 -0.52 0.00 0.00 177.40 178.13 2x17 h LEU 165 N 0.00 0.13 -0.82 -0.35 5.85 -1.98 -3.38 115.31 114.76 2x17 h LEU 165 Ca -0.01 -0.56 0.20 0.00 0.84 0.00 0.00 57.88 58.35 2x17 h LEU 165 Cb 0.97 -0.04 -0.14 0.00 0.37 0.00 0.00 40.66 41.83 2x17 h LEU 165 CO 0.00 0.67 0.11 -0.65 -0.34 0.00 0.00 178.44 178.23 2x17 h PRO 166 N -0.41 0.15 -0.43 5.25 0.11 -1.99 -0.51 132.00 134.17 2x17 h PRO 166 Ca 0.00 -0.01 0.00 0.00 0.11 0.00 0.00 66.00 66.10 2x17 h PRO 166 Cb 0.64 -0.03 0.00 0.00 0.11 0.00 0.00 31.00 31.72 2x17 h PRO 166 CO 0.02 0.10 0.00 0.41 -0.21 0.00 0.00 178.00 178.31 2x17 n GLY 167 N -1.40 0.09 0.00 -0.55 0.00 -1.26 -3.39 105.19 98.67 2x17 n GLY 167 Ca 0.17 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.19 2x17 n GLY 167 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 2x17 n LEU 168 N -0.27 0.00 -4.85 0.99 4.77 -0.20 -5.07 117.00 112.36 2x17 n LEU 168 Ca 0.00 0.00 -0.30 0.00 -0.03 0.00 0.00 56.01 55.68 2x17 n LEU 168 Cb 0.11 0.00 0.19 0.00 -2.33 0.00 0.00 43.42 41.38 2x17 n LEU 168 CO 0.00 0.00 0.81 -0.76 -1.33 0.00 0.00 177.39 176.11 2x17 s LEU 169 N -3.16 2.23 0.10 2.23 2.01 -1.22 -4.99 118.68 115.88 2x17 s LEU 169 Ca 0.00 0.43 -0.36 0.00 0.01 0.00 0.00 54.13 54.21 2x17 s LEU 169 Cb 0.00 -2.46 -0.17 0.00 0.01 0.00 0.00 46.19 43.58 2x17 s LEU 169 CO 0.00 -2.95 1.30 0.80 1.01 0.00 0.00 176.35 176.51 2x17 n MET 170 N -3.94 1.10 -4.68 1.70 0.00 -1.26 -4.99 117.12 105.05 2x17 n MET 170 Ca 0.14 0.40 -0.30 0.00 0.00 0.00 0.00 57.70 57.93 2x17 n MET 170 Cb 0.60 -2.01 -0.09 0.00 0.00 0.00 0.00 33.22 31.72 2x17 n MET 170 CO 0.00 0.00 0.00 -0.65 0.00 0.00 0.00 175.97 175.32 2x17 s GLN 171 N 0.32 2.06 0.00 2.12 -1.52 -1.26 -5.11 119.66 116.27 2x17 s GLN 171 Ca 0.83 -2.26 0.00 0.00 -1.95 0.00 0.00 55.36 51.98 2x17 s GLN 171 Cb -0.95 -1.46 0.00 0.00 -0.22 0.00 0.00 33.01 30.38 2x17 s GLN 171 CO 0.48 -0.25 0.00 0.41 -0.25 0.00 0.00 175.29 175.68