#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 3.43 0.55 3.17 1.43 -1.26 -5.02 118.68 120.98 2x17 s LEU 2 Ca 0.00 2.12 -0.18 0.00 -1.03 0.00 0.00 54.13 55.04 2x17 s LEU 2 Cb 0.00 -4.57 -0.06 0.00 0.03 0.00 0.00 46.19 41.60 2x17 s LEU 2 CO 0.00 -1.73 1.05 -0.94 0.23 0.00 0.00 176.35 174.96 2x17 s SER 3 N -2.31 6.02 0.30 2.29 1.04 -1.26 -4.85 113.70 114.93 2x17 s SER 3 Ca 0.70 1.87 0.05 0.00 0.48 0.00 0.00 55.95 59.05 2x17 s SER 3 Cb -0.23 -2.55 0.71 0.00 0.10 0.00 0.00 66.02 64.05 2x17 s SER 3 CO 0.40 -1.00 1.79 -0.08 0.98 0.00 0.00 173.24 175.33 2x17 h GLU 4 N 0.93 0.78 -0.23 4.02 4.81 -2.00 -0.49 114.58 122.40 2x17 h GLU 4 Ca -0.48 -0.05 -0.13 0.00 -0.13 0.00 0.00 59.36 58.57 2x17 h GLU 4 Cb 1.22 -0.18 -0.01 0.00 0.63 0.00 0.00 28.75 30.42 2x17 h GLU 4 CO 0.58 0.52 -0.41 -0.09 -0.73 0.00 0.00 179.01 178.87 2x17 h ARG 5 N 0.80 0.55 -0.13 1.92 2.43 -2.00 -2.89 114.38 115.07 2x17 h ARG 5 Ca 0.57 -0.28 -0.15 0.00 -0.81 0.00 0.00 59.98 59.30 2x17 h ARG 5 Cb 0.83 0.01 0.01 0.00 -0.42 0.00 0.00 29.97 30.40 2x17 h ARG 5 CO -0.36 0.87 -0.52 1.98 -1.51 0.00 0.00 179.97 180.42 2x17 h MET 6 N 0.45 0.57 -0.99 0.20 4.05 -1.53 -2.73 114.93 114.96 2x17 h MET 6 Ca 0.04 -0.45 0.03 0.00 -0.28 0.00 0.00 59.70 59.04 2x17 h MET 6 Cb 0.91 0.09 -0.06 0.00 -0.80 0.00 0.00 31.60 31.75 2x17 h MET 6 CO 0.08 1.07 0.65 1.25 0.23 0.00 0.00 176.91 180.19 2x17 h LEU 7 N 0.20 1.09 -0.65 3.39 5.85 -1.18 -0.90 115.31 123.11 2x17 h LEU 7 Ca -0.03 -0.01 -0.10 0.00 0.84 0.00 0.00 57.88 58.57 2x17 h LEU 7 Cb 1.16 -0.25 -0.02 0.00 0.37 0.00 0.00 40.66 41.91 2x17 h LEU 7 CO 0.11 0.75 -0.07 0.50 -0.34 0.00 0.00 178.44 179.39 2x17 h LYS 8 N 1.27 0.98 -0.07 1.25 3.64 -1.54 -1.33 116.57 120.76 2x17 h LYS 8 Ca 0.39 -0.34 -0.12 0.00 -1.27 0.00 0.00 60.65 59.31 2x17 h LYS 8 Cb -0.03 -0.08 -0.01 0.00 -0.41 0.00 0.00 32.23 31.71 2x17 h LYS 8 CO -0.12 1.01 -0.49 0.00 -2.27 0.00 0.00 179.45 177.58 2x17 h ALA 9 N 1.02 1.04 0.01 5.00 0.00 -1.07 -0.55 119.26 124.72 2x17 h ALA 9 Ca 0.15 -0.46 -0.25 0.00 0.00 0.00 0.00 54.91 54.34 2x17 h ALA 9 Cb 0.62 -0.09 0.01 0.00 0.00 0.00 0.00 17.79 18.33 2x17 h ALA 9 CO 0.04 0.64 -1.02 -0.07 0.00 0.00 0.00 179.25 178.84 2x17 h LEU 10 N 0.15 0.77 -1.09 0.00 3.38 -1.11 -2.84 115.31 114.56 2x17 h LEU 10 Ca 0.01 -0.62 -0.07 0.00 0.09 0.00 0.00 57.88 57.28 2x17 h LEU 10 Cb 0.92 -0.23 -0.02 0.00 0.09 0.00 0.00 40.66 41.42 2x17 h LEU 10 CO 0.07 1.42 -0.15 0.78 0.09 0.00 0.00 178.44 180.66 2x17 h ASN 11 N 0.33 0.46 -0.24 -0.43 2.35 -1.10 -1.91 115.58 115.03 2x17 h ASN 11 Ca -0.11 -0.12 -0.14 0.00 -0.55 0.00 0.00 56.30 55.37 2x17 h ASN 11 Cb 1.67 -0.12 -0.01 0.00 0.05 0.00 0.00 38.32 39.91 2x17 h ASN 11 CO 0.19 0.63 -0.37 0.44 -1.65 0.00 0.00 177.43 176.67 2x17 h ASP 12 N 0.43 0.82 0.37 5.81 3.45 -1.13 -2.60 116.42 123.57 2x17 h ASP 12 Ca 0.08 -0.36 -0.15 0.00 0.43 0.00 0.00 57.03 57.03 2x17 h ASP 12 Cb 0.51 -0.23 -0.01 0.00 -0.56 0.00 0.00 39.33 39.04 2x17 h ASP 12 CO 0.03 1.10 -0.61 -0.61 -1.57 0.00 0.00 179.24 177.58 2x17 h GLN 13 N 0.64 0.23 -0.96 3.56 5.75 -1.38 -1.43 115.11 121.52 2x17 h GLN 13 Ca 0.06 -0.16 0.03 0.00 -0.15 0.00 0.00 58.65 58.42 2x17 h GLN 13 Cb 0.92 0.02 -0.05 0.00 1.07 0.00 0.00 27.48 29.44 2x17 h GLN 13 CO 0.08 0.77 0.63 1.25 -2.65 0.00 0.00 178.83 178.92 2x17 h LEU 14 N 0.17 1.07 -0.55 -2.39 6.46 -1.27 -0.12 115.31 118.69 2x17 h LEU 14 Ca -0.01 -0.02 -0.13 0.00 -0.12 0.00 0.00 57.88 57.61 2x17 h LEU 14 Cb 1.11 -0.25 -0.01 0.00 -0.73 0.00 0.00 40.66 40.78 2x17 h LEU 14 CO 0.09 0.75 -0.21 -1.13 -0.62 0.00 0.00 178.44 177.33 2x17 h ASN 15 N 1.25 0.97 -0.45 1.25 -0.73 -1.16 -2.53 115.58 114.17 2x17 h ASN 15 Ca 0.37 -0.36 -0.10 0.00 1.87 0.00 0.00 56.30 58.08 2x17 h ASN 15 Cb -0.05 -0.27 -0.02 0.00 0.27 0.00 0.00 38.32 38.25 2x17 h ASN 15 CO -0.11 1.14 -0.09 0.03 -0.37 0.00 0.00 177.43 178.04 2x17 h ARG 16 N 0.83 0.91 -0.27 6.67 3.08 -0.74 -0.22 114.38 124.64 2x17 h ARG 16 Ca 0.11 -0.31 -0.12 0.00 0.07 0.00 0.00 59.98 59.73 2x17 h ARG 16 Cb 0.77 -0.07 -0.01 0.00 0.08 0.00 0.00 29.97 30.73 2x17 h ARG 16 CO 0.06 0.96 -0.33 0.93 -1.07 0.00 0.00 179.97 180.53 2x17 h GLU 17 N 0.82 0.57 -0.17 0.04 4.39 -1.03 -0.32 114.58 118.88 2x17 h GLU 17 Ca 0.14 -0.25 -0.15 0.00 0.34 0.00 0.00 59.36 59.43 2x17 h GLU 17 Cb 0.61 -0.01 -0.01 0.00 -0.10 0.00 0.00 28.75 29.24 2x17 h GLU 17 CO 0.04 0.82 -0.54 -0.07 -1.16 0.00 0.00 179.01 178.10 2x17 h LEU 18 N 0.48 0.55 -0.53 1.33 3.38 -1.24 -2.47 115.31 116.82 2x17 h LEU 18 Ca 0.06 -0.29 -0.13 0.00 0.09 0.00 0.00 57.88 57.60 2x17 h LEU 18 Cb 0.80 -0.16 -0.01 0.00 0.09 0.00 0.00 40.66 41.38 2x17 h LEU 18 CO 0.07 0.99 -0.23 0.22 0.09 0.00 0.00 178.44 179.57 2x17 h TYR 19 N 0.39 1.08 -0.96 1.13 3.20 -0.88 -2.38 116.97 118.55 2x17 h TYR 19 Ca 0.01 -0.26 0.08 0.00 3.14 0.00 0.00 58.73 61.69 2x17 h TYR 19 Cb 1.07 -0.25 -0.07 0.00 1.54 0.00 0.00 36.73 39.02 2x17 h TYR 19 CO 0.04 1.07 0.61 0.77 -1.64 0.00 0.00 178.16 179.01 2x17 h SER 20 N 0.81 0.95 -0.85 -2.11 0.02 -0.97 0.29 113.55 111.70 2x17 h SER 20 Ca 0.10 0.02 -0.02 0.00 -0.84 0.00 0.00 61.79 61.05 2x17 h SER 20 Cb 0.80 -0.18 -0.04 0.00 0.14 0.00 0.00 62.40 63.12 2x17 h SER 20 CO 0.07 0.59 0.44 0.00 -1.14 0.00 0.00 176.83 176.78 2x17 h ALA 21 N 1.46 1.17 -0.06 3.77 0.00 -1.28 -2.24 119.26 122.08 2x17 h ALA 21 Ca 0.43 -0.14 -0.19 0.00 0.00 0.00 0.00 54.91 55.01 2x17 h ALA 21 Cb 0.24 -0.34 -0.00 0.00 0.00 0.00 0.00 17.79 17.69 2x17 h ALA 21 CO -0.20 0.65 -0.77 -0.92 0.00 0.00 0.00 179.25 178.02 2x17 h TYR 22 N 1.20 0.54 -0.45 0.00 -0.00 -0.62 -1.93 116.97 115.71 2x17 h TYR 22 Ca 0.30 -0.25 -0.09 0.00 -0.00 0.00 0.00 58.73 58.69 2x17 h TYR 22 Cb 0.07 -0.08 -0.01 0.00 -0.00 0.00 0.00 36.73 36.71 2x17 h TYR 22 CO 0.01 1.02 -0.06 1.25 -0.00 0.00 0.00 178.16 180.38 2x17 h LEU 23 N 0.26 0.83 -0.84 2.82 5.85 -0.38 -0.66 115.31 123.19 2x17 h LEU 23 Ca -0.04 -0.34 -0.11 0.00 0.84 0.00 0.00 57.88 58.23 2x17 h LEU 23 Cb 1.36 -0.23 -0.02 0.00 0.37 0.00 0.00 40.66 42.15 2x17 h LEU 23 CO 0.13 0.97 -0.51 1.88 -0.34 0.00 0.00 178.44 180.57 2x17 h TYR 24 N 0.67 0.00 -0.05 1.25 0.05 -1.41 0.16 116.97 117.63 2x17 h TYR 24 Ca 0.12 0.00 -0.12 0.00 0.05 0.00 0.00 58.73 58.78 2x17 h TYR 24 Cb 0.58 0.00 -0.01 0.00 1.01 0.00 0.00 36.73 38.31 2x17 h TYR 24 CO 0.04 0.51 -0.53 0.35 -1.05 0.00 0.00 178.16 177.49 2x17 h PHE 25 N 0.00 0.18 -0.20 4.88 -0.00 -1.22 0.10 116.94 120.69 2x17 h PHE 25 Ca -0.01 -0.06 -0.17 0.00 -0.00 0.00 0.00 57.97 57.73 2x17 h PHE 25 Cb 1.00 -0.04 -0.00 0.00 -0.00 0.00 0.00 35.95 36.92 2x17 h PHE 25 CO 0.00 0.65 -0.59 0.00 -0.00 0.00 0.00 178.31 178.37 2x17 h ALA 26 N 1.34 0.60 -0.28 2.41 0.00 -0.58 -2.33 119.26 120.42 2x17 h ALA 26 Ca 0.00 -0.53 -0.13 0.00 0.00 0.00 0.00 54.91 54.25 2x17 h ALA 26 Cb 0.97 -0.07 -0.01 0.00 0.00 0.00 0.00 17.79 18.68 2x17 h ALA 26 CO 0.08 0.69 -0.35 0.52 0.00 0.00 0.00 179.25 180.19 2x17 h MET 27 N 0.48 0.64 -0.85 0.00 2.86 -0.84 -1.76 114.93 115.46 2x17 h MET 27 Ca 0.00 -0.30 0.03 0.00 -2.06 0.00 0.00 59.70 57.37 2x17 h MET 27 Cb 1.16 -0.00 -0.05 0.00 0.06 0.00 0.00 31.60 32.76 2x17 h MET 27 CO 0.12 0.90 0.55 0.00 1.06 0.00 0.00 176.91 179.53 2x17 h ALA 28 N 1.08 1.12 -0.65 6.32 0.00 -0.91 0.30 119.26 126.52 2x17 h ALA 28 Ca 0.05 -0.04 -0.06 0.00 0.00 0.00 0.00 54.91 54.87 2x17 h ALA 28 Cb 0.86 -0.30 -0.03 0.00 0.00 0.00 0.00 17.79 18.32 2x17 h ALA 28 CO 0.07 0.40 0.18 0.00 0.00 0.00 0.00 179.25 179.91 2x17 h ALA 29 N 1.35 0.85 -0.49 0.00 0.00 -1.18 -0.99 119.26 118.80 2x17 h ALA 29 Ca 0.34 -0.22 -0.05 0.00 0.00 0.00 0.00 54.91 54.97 2x17 h ALA 29 Cb -0.01 -0.25 -0.02 0.00 0.00 0.00 0.00 17.79 17.51 2x17 h ALA 29 CO -0.11 0.54 0.10 -0.92 0.00 0.00 0.00 179.25 178.87 2x17 h TYR 30 N 0.95 0.84 -0.04 0.00 3.20 -0.76 -2.69 116.97 118.47 2x17 h TYR 30 Ca 0.21 -0.11 -0.14 0.00 3.14 0.00 0.00 58.73 61.83 2x17 h TYR 30 Cb 0.33 -0.23 -0.01 0.00 1.54 0.00 0.00 36.73 38.35 2x17 h TYR 30 CO 0.02 0.76 -0.61 0.74 -1.64 0.00 0.00 178.16 177.44 2x17 h PHE 31 N 0.68 0.18 -0.67 -3.82 0.04 -0.88 -3.13 116.94 109.34 2x17 h PHE 31 Ca 0.15 -0.07 -0.07 0.00 2.80 0.00 0.00 57.97 60.78 2x17 h PHE 31 Cb 0.36 -0.03 -0.03 0.00 2.20 0.00 0.00 35.95 38.45 2x17 h PHE 31 CO 0.02 0.71 0.13 1.49 -0.60 0.00 0.00 178.31 180.07 2x17 h GLU 32 N 0.10 1.08 -0.67 1.51 4.57 -1.09 -0.91 114.58 119.16 2x17 h GLU 32 Ca -0.01 -0.27 -0.04 0.00 -1.18 0.00 0.00 59.36 57.86 2x17 h GLU 32 Cb 1.10 -0.14 -0.03 0.00 -0.16 0.00 0.00 28.75 29.52 2x17 h GLU 32 CO 0.09 0.97 0.26 0.22 -1.18 0.00 0.00 179.01 179.37 2x17 h ASP 33 N 1.02 0.91 0.00 1.04 3.58 -1.43 -1.78 116.42 119.76 2x17 h ASP 33 Ca 0.21 -0.13 0.00 0.00 0.42 0.00 0.00 57.03 57.52 2x17 h ASP 33 Cb 0.40 -0.24 0.00 0.00 1.72 0.00 0.00 39.33 41.22 2x17 h ASP 33 CO 0.01 0.82 0.00 0.18 -2.88 0.00 0.00 179.24 177.37 2x17 n LEU 34 N -4.30 0.00 -0.46 2.28 4.77 -1.14 -4.86 117.00 113.29 2x17 n LEU 34 Ca 0.06 0.00 -0.05 0.00 -0.03 0.00 0.00 56.01 55.99 2x17 n LEU 34 Cb 0.18 0.00 -0.01 0.00 -2.33 0.00 0.00 43.42 41.26 2x17 n LEU 34 CO 0.40 0.00 -0.05 0.61 -1.33 0.00 0.00 177.39 177.01 2x17 n GLY 35 N 0.57 0.43 3.22 -0.72 0.00 -0.67 -5.00 105.19 103.03 2x17 n GLY 35 Ca 0.19 -0.76 -0.42 0.00 0.00 0.00 0.00 46.02 45.03 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 -1.23 6.05 0.24 0.99 1.43 -0.36 -4.91 118.68 120.89 2x17 s LEU 36 Ca 0.00 -3.03 0.03 0.00 -1.03 0.00 0.00 54.13 50.10 2x17 s LEU 36 Cb 0.00 -2.05 0.27 0.00 0.03 0.00 0.00 46.19 44.44 2x17 s LEU 36 CO 0.00 -0.41 1.59 -0.33 0.23 0.00 0.00 176.35 177.43 2x17 h GLU 37 N 7.12 0.33 -0.19 1.70 5.08 -1.90 -2.29 114.58 124.43 2x17 h GLU 37 Ca 0.09 -0.20 -0.02 0.00 -1.00 0.00 0.00 59.36 58.23 2x17 h GLU 37 Cb 0.96 0.02 -0.01 0.00 0.50 0.00 0.00 28.75 30.22 2x17 h GLU 37 CO 0.79 0.78 0.05 0.78 -1.00 0.00 0.00 179.01 180.40 2x17 h GLY 38 N 1.29 0.32 1.06 -3.84 0.00 -1.89 0.86 103.07 100.88 2x17 h GLY 38 Ca 0.01 -0.20 -0.05 0.00 0.00 0.00 0.00 47.33 47.09 2x17 h GLY 38 CO 0.09 0.19 0.31 0.74 0.00 0.00 0.00 176.54 177.87 2x17 h PHE 39 N 0.12 1.21 -0.21 5.60 -1.00 -1.77 -1.88 116.94 119.01 2x17 h PHE 39 Ca 0.06 -0.09 -0.04 0.00 2.81 0.00 0.00 57.97 60.71 2x17 h PHE 39 Cb 0.26 -0.36 -0.01 0.00 3.61 0.00 0.00 35.95 39.46 2x17 h PHE 39 CO 0.01 0.91 -0.01 0.00 -1.61 0.00 0.00 178.31 177.61 2x17 h ALA 40 N 1.18 0.28 -0.72 2.45 0.00 -1.26 -2.10 119.26 119.10 2x17 h ALA 40 Ca 0.26 -0.22 -0.05 0.00 0.00 0.00 0.00 54.91 54.90 2x17 h ALA 40 Cb 0.22 -0.08 -0.03 0.00 0.00 0.00 0.00 17.79 17.90 2x17 h ALA 40 CO -0.02 0.01 0.26 -0.91 0.00 0.00 0.00 179.25 178.59 2x17 h ASN 41 N 0.12 1.01 -0.60 0.00 2.35 -0.79 -0.76 115.58 116.91 2x17 h ASN 41 Ca 0.06 -0.19 0.05 0.00 -0.55 0.00 0.00 56.30 55.67 2x17 h ASN 41 Cb 0.42 -0.26 -0.05 0.00 0.05 0.00 0.00 38.32 38.48 2x17 h ASN 41 CO 0.01 0.93 0.33 -0.25 -1.65 0.00 0.00 177.43 176.80 2x17 h TRP 42 N 1.04 0.60 -0.33 1.19 7.01 -1.32 -0.53 115.95 123.62 2x17 h TRP 42 Ca 0.24 0.02 -0.11 0.00 2.11 0.00 0.00 58.89 61.15 2x17 h TRP 42 Cb 0.25 -0.18 -0.01 0.00 -2.10 0.00 0.00 29.16 27.12 2x17 h TRP 42 CO 0.02 0.30 -0.25 0.52 -2.79 0.00 0.00 178.44 176.23 2x17 h MET 43 N 0.62 0.65 -0.56 2.65 2.86 -0.98 -0.42 114.93 119.76 2x17 h MET 43 Ca 0.27 -0.27 -0.08 0.00 -2.06 0.00 0.00 59.70 57.56 2x17 h MET 43 Cb 0.15 -0.03 -0.02 0.00 0.06 0.00 0.00 31.60 31.76 2x17 h MET 43 CO -0.17 0.84 0.04 0.87 1.06 0.00 0.00 176.91 179.55 2x17 h LYS 44 N 0.57 0.96 -0.48 1.72 1.57 -0.83 -0.25 116.57 119.84 2x17 h LYS 44 Ca 0.08 -0.29 -0.10 0.00 -1.87 0.00 0.00 60.65 58.47 2x17 h LYS 44 Cb 0.73 -0.10 -0.02 0.00 0.08 0.00 0.00 32.23 32.93 2x17 h LYS 44 CO 0.06 0.95 -0.11 0.00 -0.57 0.00 0.00 179.45 179.78 2x17 h ALA 45 N 0.98 0.90 -0.44 3.86 0.00 -0.88 -2.09 119.26 121.59 2x17 h ALA 45 Ca 0.16 -0.33 -0.12 0.00 0.00 0.00 0.00 54.91 54.62 2x17 h ALA 45 Cb 0.49 -0.18 -0.01 0.00 0.00 0.00 0.00 17.79 18.09 2x17 h ALA 45 CO 0.02 0.63 -0.19 0.37 0.00 0.00 0.00 179.25 180.08 2x17 h GLN 46 N 0.79 0.86 -0.57 0.00 5.75 -0.96 -2.93 115.11 118.04 2x17 h GLN 46 Ca 0.13 -0.34 -0.02 0.00 -0.15 0.00 0.00 58.65 58.26 2x17 h GLN 46 Cb 0.63 -0.04 -0.03 0.00 1.07 0.00 0.00 27.48 29.11 2x17 h GLN 46 CO 0.04 0.98 0.26 0.00 -2.65 0.00 0.00 178.83 177.46 2x17 h ALA 47 N 1.02 1.38 -0.57 3.38 0.00 -0.77 -2.46 119.26 121.24 2x17 h ALA 47 Ca 0.11 -0.13 -0.08 0.00 0.00 0.00 0.00 54.91 54.81 2x17 h ALA 47 Cb 0.73 -0.23 -0.02 0.00 0.00 0.00 0.00 17.79 18.26 2x17 h ALA 47 CO 0.06 0.48 0.05 0.93 0.00 0.00 0.00 179.25 180.77 2x17 h GLU 48 N 0.81 0.95 -0.43 0.00 5.08 -1.25 -2.70 114.58 117.04 2x17 h GLU 48 Ca 0.20 -0.25 -0.06 0.00 -1.00 0.00 0.00 59.36 58.25 2x17 h GLU 48 Cb 0.11 -0.11 -0.02 0.00 0.50 0.00 0.00 28.75 29.23 2x17 h GLU 48 CO -0.02 0.90 0.04 0.93 -1.00 0.00 0.00 179.01 179.86 2x17 h GLU 49 N 0.88 0.68 -0.21 2.33 4.39 -1.28 -1.86 114.58 119.52 2x17 h GLU 49 Ca 0.17 -0.15 -0.11 0.00 0.34 0.00 0.00 59.36 59.61 2x17 h GLU 49 Cb 0.44 -0.10 -0.01 0.00 -0.10 0.00 0.00 28.75 28.99 2x17 h GLU 49 CO 0.02 0.67 -0.35 0.93 -1.16 0.00 0.00 179.01 179.11 2x17 h GLU 50 N 0.65 0.45 -0.54 2.33 4.39 -1.26 -0.93 114.58 119.66 2x17 h GLU 50 Ca 0.14 -0.20 -0.06 0.00 0.34 0.00 0.00 59.36 59.58 2x17 h GLU 50 Cb 0.35 -0.01 -0.02 0.00 -0.10 0.00 0.00 28.75 28.96 2x17 h GLU 50 CO 0.01 0.75 0.11 0.82 -1.16 0.00 0.00 179.01 179.53 2x17 h ILE 51 N 0.38 1.23 -0.74 3.13 2.04 -1.15 -1.91 117.51 120.49 2x17 h ILE 51 Ca 0.04 -0.86 -0.02 0.00 1.00 0.00 0.00 64.86 65.02 2x17 h ILE 51 Cb 0.80 0.70 -0.03 0.00 -0.74 0.00 0.00 36.82 37.55 2x17 h ILE 51 CO 0.06 0.32 0.37 1.23 0.00 0.00 0.00 178.15 180.13 2x17 h GLY 52 N 0.98 1.14 1.35 5.37 0.00 -0.61 -1.81 103.07 109.49 2x17 h GLY 52 Ca 0.17 -0.56 -0.08 0.00 0.00 0.00 0.00 47.33 46.87 2x17 h GLY 52 CO 0.00 0.53 -0.04 0.45 0.00 0.00 0.00 176.54 177.48 2x17 h HIS 53 N 1.04 0.84 -0.57 5.60 3.86 -0.97 -2.58 115.15 122.38 2x17 h HIS 53 Ca 0.26 -0.13 -0.08 0.00 -1.16 0.00 0.00 60.37 59.26 2x17 h HIS 53 Cb 0.10 -0.23 -0.02 0.00 1.06 0.00 0.00 27.41 28.32 2x17 h HIS 53 CO 0.01 0.80 0.04 0.00 0.86 0.00 0.00 177.93 179.64 2x17 h ALA 54 N 1.23 1.00 0.00 2.45 0.00 -1.04 -2.62 119.26 120.28 2x17 h ALA 54 Ca 0.14 -0.27 -0.08 0.00 0.00 0.00 0.00 54.91 54.70 2x17 h ALA 54 Cb 0.50 -0.22 -0.01 0.00 0.00 0.00 0.00 17.79 18.06 2x17 h ALA 54 CO 0.03 0.62 -0.36 -0.07 0.00 0.00 0.00 179.25 179.47 2x17 h LEU 55 N 0.89 0.00 -0.49 0.00 3.38 -1.15 -1.87 115.31 116.06 2x17 h LEU 55 Ca 0.17 0.00 -0.13 0.00 0.09 0.00 0.00 57.88 58.01 2x17 h LEU 55 Cb 0.46 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 41.19 2x17 h LEU 55 CO 0.02 0.36 -0.22 0.03 0.09 0.00 0.00 178.44 178.71 2x17 h ARG 56 N 0.00 1.00 -0.53 1.13 3.08 -1.10 0.12 114.38 118.07 2x17 h ARG 56 Ca -0.00 -0.43 -0.11 0.00 0.07 0.00 0.00 59.98 59.51 2x17 h ARG 56 Cb 0.68 -0.03 -0.02 0.00 0.08 0.00 0.00 29.97 30.68 2x17 h ARG 56 CO 0.05 1.11 -0.09 0.74 -1.07 0.00 0.00 179.97 180.70 2x17 h PHE 57 N 0.86 1.12 -0.20 3.04 0.04 -1.35 -1.33 116.94 119.12 2x17 h PHE 57 Ca 0.11 -0.23 0.04 0.00 2.80 0.00 0.00 57.97 60.69 2x17 h PHE 57 Cb 0.80 -0.28 -0.04 0.00 2.20 0.00 0.00 35.95 38.64 2x17 h PHE 57 CO 0.05 1.04 -0.06 -0.92 -0.60 0.00 0.00 178.31 177.83 2x17 h TYR 58 N 0.88 -0.13 -0.48 -0.55 5.03 -1.14 -1.14 116.97 119.45 2x17 h TYR 58 Ca 0.14 0.02 -0.09 0.00 2.58 0.00 0.00 58.73 61.38 2x17 h TYR 58 Cb 0.66 0.09 -0.02 0.00 1.55 0.00 0.00 36.73 39.00 2x17 h TYR 58 CO 0.05 -0.10 -0.06 -0.91 -1.32 0.00 0.00 178.16 175.81 2x17 h ASN 59 N -0.01 0.83 -0.29 -2.11 2.35 -0.66 -2.97 115.58 112.72 2x17 h ASN 59 Ca 0.10 -0.24 -0.12 0.00 -0.55 0.00 0.00 56.30 55.49 2x17 h ASN 59 Cb 0.16 -0.22 -0.00 0.00 0.05 0.00 0.00 38.32 38.30 2x17 h ASN 59 CO -0.21 0.93 -0.29 0.22 -1.65 0.00 0.00 177.43 176.43 2x17 h TYR 60 N 0.77 0.84 -0.55 1.19 3.20 -1.10 -2.44 116.97 118.88 2x17 h TYR 60 Ca 0.14 -0.25 0.06 0.00 3.14 0.00 0.00 58.73 61.81 2x17 h TYR 60 Cb 0.56 -0.18 -0.05 0.00 1.54 0.00 0.00 36.73 38.60 2x17 h TYR 60 CO 0.03 1.00 0.27 0.82 -1.64 0.00 0.00 178.16 178.64 2x17 h ILE 61 N 0.44 0.92 0.00 1.81 2.04 -1.14 -1.57 117.51 120.01 2x17 h ILE 61 Ca 0.05 -0.17 -0.02 0.00 1.00 0.00 0.00 64.86 65.71 2x17 h ILE 61 Cb 0.85 0.36 -0.00 0.00 -0.74 0.00 0.00 36.82 37.30 2x17 h ILE 61 CO 0.07 0.09 -0.10 1.88 0.00 0.00 0.00 178.15 180.09 2x17 h TYR 62 N 0.51 0.00 0.00 1.37 0.05 -1.57 0.13 116.97 117.47 2x17 h TYR 62 Ca 0.25 0.00 -0.10 0.00 0.05 0.00 0.00 58.73 58.94 2x17 h TYR 62 Cb 0.19 0.00 -0.01 0.00 1.01 0.00 0.00 36.73 37.92 2x17 h TYR 62 CO -0.11 0.10 -0.46 -0.44 -1.05 0.00 0.00 178.16 176.20 2x17 h ASP 63 N 0.00 0.00 -0.56 3.88 3.32 -0.81 -2.99 116.42 119.26 2x17 h ASP 63 Ca -0.00 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.05 2x17 h ASP 63 Cb 0.86 0.00 0.00 0.00 0.22 0.00 0.00 39.33 40.41 2x17 h ASP 63 CO 0.01 0.46 0.00 0.54 -1.72 0.00 0.00 179.24 178.54 2x17 n ARG 64 N -3.75 4.67 -2.18 3.56 5.12 -0.69 -4.93 116.66 118.46 2x17 n ARG 64 Ca -0.01 -3.01 -0.17 0.00 -1.93 0.00 0.00 57.85 52.72 2x17 n ARG 64 Cb 0.52 -2.21 -0.02 0.00 -1.16 0.00 0.00 32.46 29.59 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 0.65 -5.13 -1.89 0.55 5.15 -1.13 -3.98 115.26 109.48 2x17 n ASN 65 Ca 0.27 0.07 0.00 0.00 -0.60 0.00 0.00 54.58 54.32 2x17 n ASN 65 Cb 1.14 -4.20 0.00 0.00 -0.53 0.00 0.00 39.78 36.19 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 -0.98 0.60 2.80 8.20 0.00 0.44 -4.92 105.19 111.32 2x17 n GLY 66 Ca -0.20 -1.92 -0.21 0.00 0.00 0.00 0.00 46.02 43.69 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 -1.80 0.59 -0.04 1.61 6.06 -1.26 -4.56 118.95 119.55 2x17 s ARG 67 Ca 0.00 0.07 -0.30 0.00 -2.50 0.00 0.00 55.73 53.00 2x17 s ARG 67 Cb 0.00 -0.87 -0.03 0.00 0.06 0.00 0.00 34.95 34.12 2x17 s ARG 67 CO 0.00 -0.24 1.09 0.08 -2.50 0.00 0.00 175.30 173.73 2x17 s VAL 68 N 1.65 4.54 -0.15 7.11 1.01 -1.26 -5.00 120.40 128.29 2x17 s VAL 68 Ca -0.00 1.83 0.01 0.00 0.00 0.00 0.00 61.98 63.82 2x17 s VAL 68 Cb -0.13 -4.17 0.02 0.00 0.00 0.00 0.00 36.38 32.10 2x17 s VAL 68 CO -0.04 0.06 -0.18 -0.70 0.00 0.00 0.00 175.10 174.24 2x17 s GLU 69 N 1.68 2.65 -0.22 2.72 2.12 -1.26 -5.11 118.70 121.28 2x17 s GLU 69 Ca 0.53 -0.70 -0.21 0.00 0.36 0.00 0.00 54.97 54.95 2x17 s GLU 69 Cb -0.22 -2.29 -0.02 0.00 0.26 0.00 0.00 34.13 31.85 2x17 s GLU 69 CO 0.23 -0.16 0.65 -0.51 -0.54 0.00 0.00 175.26 174.93 2x17 s LEU 70 N 1.23 4.11 0.74 2.70 1.43 -1.26 -4.91 118.68 122.71 2x17 s LEU 70 Ca 0.01 0.82 -0.04 0.00 -1.03 0.00 0.00 54.13 53.89 2x17 s LEU 70 Cb -0.14 -2.91 0.12 0.00 0.03 0.00 0.00 46.19 43.29 2x17 s LEU 70 CO -0.09 -0.33 1.03 -1.81 0.23 0.00 0.00 176.35 175.39 2x17 s ASP 71 N 1.30 4.32 0.59 2.29 1.01 -1.26 -5.07 116.67 119.84 2x17 s ASP 71 Ca 0.29 -0.07 -0.18 0.00 0.71 0.00 0.00 52.55 53.30 2x17 s ASP 71 Cb -0.16 -0.36 -0.04 0.00 1.01 0.00 0.00 42.92 43.38 2x17 s ASP 71 CO 0.10 -1.88 1.15 -1.83 0.21 0.00 0.00 175.17 172.92 2x17 s GLU 72 N -5.25 3.09 -0.36 8.23 -1.05 -1.26 -5.03 118.70 117.07 2x17 s GLU 72 Ca 0.65 1.65 -0.10 0.00 -0.15 0.00 0.00 54.97 57.02 2x17 s GLU 72 Cb -0.07 -1.96 0.03 0.00 -0.44 0.00 0.00 34.13 31.69 2x17 s GLU 72 CO 0.45 -1.07 0.18 0.42 0.95 0.00 0.00 175.26 176.19 2x17 s ILE 73 N -1.83 4.44 0.85 1.83 1.01 -1.26 -5.07 121.20 121.17 2x17 s ILE 73 Ca 0.73 -0.86 -0.11 0.00 0.00 0.00 0.00 60.65 60.41 2x17 s ILE 73 Cb -0.25 -3.46 0.10 0.00 0.01 0.00 0.00 42.46 38.86 2x17 s ILE 73 CO 0.32 -0.19 1.11 -2.16 0.00 0.00 0.00 174.94 174.02 2x17 s PRO 74 N 1.53 1.59 0.10 2.79 0.04 -1.26 -4.96 135.00 134.83 2x17 s PRO 74 Ca 0.02 1.26 -0.31 0.00 0.04 0.00 0.00 61.00 62.01 2x17 s PRO 74 Cb -0.19 -1.81 -0.08 0.00 0.04 0.00 0.00 34.50 32.46 2x17 s PRO 74 CO 0.06 -2.14 1.46 0.21 0.04 0.00 0.00 177.00 176.63 2x17 s LYS 75 N -4.80 4.28 0.61 4.56 2.20 -1.26 -5.03 119.74 120.30 2x17 s LYS 75 Ca 0.64 2.15 -0.09 0.00 -0.36 0.00 0.00 55.97 58.31 2x17 s LYS 75 Cb -0.20 -3.33 -0.01 0.00 -1.51 0.00 0.00 37.83 32.78 2x17 s LYS 75 CO 0.57 -0.53 0.97 -1.25 -0.36 0.00 0.00 175.35 174.75 2x17 s PRO 76 N 1.54 3.22 0.42 4.03 0.04 -1.26 -5.04 135.00 137.95 2x17 s PRO 76 Ca 0.67 0.38 -0.26 0.00 0.04 0.00 0.00 61.00 61.83 2x17 s PRO 76 Cb -0.38 -2.17 -0.10 0.00 0.04 0.00 0.00 34.50 31.90 2x17 s PRO 76 CO 0.30 -0.66 1.42 -2.30 0.04 0.00 0.00 177.00 175.80 2x17 n PRO 77 N -2.68 2.31 -0.07 0.56 -0.02 -1.26 -4.97 135.00 128.86 2x17 n PRO 77 Ca 0.05 0.82 -0.17 0.00 -2.02 0.00 0.00 63.50 62.18 2x17 n PRO 77 Cb 0.56 -2.59 -0.13 0.00 -0.02 0.00 0.00 33.50 31.33 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 2.45 0.02 -5.49 -0.52 3.64 -1.96 -3.46 116.57 111.26 2x17 h LYS 78 Ca -0.50 -0.04 -0.43 0.00 -1.27 0.00 0.00 60.65 58.41 2x17 h LYS 78 Cb 1.27 0.01 -0.20 0.00 -0.41 0.00 0.00 32.23 32.90 2x17 h LYS 78 CO 0.62 1.02 -0.78 -1.21 -2.27 0.00 0.00 179.45 176.83 2x17 s GLU 79 N -2.29 0.96 0.17 1.90 2.02 -1.26 -4.69 118.70 115.51 2x17 s GLU 79 Ca -0.22 -1.12 0.08 0.00 0.02 0.00 0.00 54.97 53.73 2x17 s GLU 79 Cb 0.00 -0.94 -0.04 0.00 0.10 0.00 0.00 34.13 33.25 2x17 s GLU 79 CO 0.67 0.20 -0.18 -1.58 0.02 0.00 0.00 175.26 174.39 2x17 s TRP 80 N -1.68 1.80 0.13 1.61 0.51 -1.26 -5.07 118.94 114.98 2x17 s TRP 80 Ca 0.04 -0.48 -0.18 0.00 -2.12 0.00 0.00 56.10 53.37 2x17 s TRP 80 Cb -0.07 -0.89 -0.03 0.00 -0.81 0.00 0.00 33.47 31.67 2x17 s TRP 80 CO 0.03 0.34 1.78 0.93 -0.51 0.00 0.00 176.95 179.51 2x17 h GLU 81 N 3.16 0.42 -3.88 4.98 5.08 -2.01 -3.46 114.58 118.86 2x17 h GLU 81 Ca -0.42 -0.03 -0.10 0.00 -1.00 0.00 0.00 59.36 57.81 2x17 h GLU 81 Cb 1.21 -0.09 -0.13 0.00 0.50 0.00 0.00 28.75 30.23 2x17 h GLU 81 CO 0.52 0.30 -0.37 -1.54 -1.00 0.00 0.00 179.01 176.92 2x17 s SER 82 N -5.52 0.11 0.47 1.42 1.04 -1.26 -5.01 113.70 104.95 2x17 s SER 82 Ca -0.13 -0.77 0.24 0.00 0.48 0.00 0.00 55.95 55.76 2x17 s SER 82 Cb 0.10 0.37 1.26 0.00 0.10 0.00 0.00 66.02 67.85 2x17 s SER 82 CO 0.71 -0.79 1.88 -0.65 0.98 0.00 0.00 173.24 175.37 2x17 h PRO 83 N 2.69 0.21 -0.26 4.02 0.11 -2.00 -1.04 132.00 135.73 2x17 h PRO 83 Ca -0.33 -0.01 -0.02 0.00 0.11 0.00 0.00 66.00 65.75 2x17 h PRO 83 Cb 1.21 -0.05 -0.01 0.00 0.11 0.00 0.00 31.00 32.26 2x17 h PRO 83 CO 0.54 0.14 0.08 1.25 -0.21 0.00 0.00 178.00 179.80 2x17 h LEU 84 N 0.22 0.37 -1.38 2.35 5.85 -1.96 -2.93 115.31 117.84 2x17 h LEU 84 Ca 0.44 -0.20 -0.04 0.00 0.84 0.00 0.00 57.88 58.92 2x17 h LEU 84 Cb 1.38 -0.10 -0.01 0.00 0.37 0.00 0.00 40.66 42.30 2x17 h LEU 84 CO -0.10 0.47 -0.20 0.11 -0.34 0.00 0.00 178.44 178.38 2x17 h LYS 85 N 0.25 0.00 -0.26 1.25 1.79 -1.62 -1.91 116.57 116.07 2x17 h LYS 85 Ca 0.08 0.00 -0.13 0.00 -2.18 0.00 0.00 60.65 58.43 2x17 h LYS 85 Cb 0.23 0.00 -0.00 0.00 -1.58 0.00 0.00 32.23 30.88 2x17 h LYS 85 CO -0.00 0.20 -0.34 0.00 -1.08 0.00 0.00 179.45 178.23 2x17 h ALA 86 N 1.80 0.39 0.00 3.86 0.00 -1.24 -2.35 119.26 121.72 2x17 h ALA 86 Ca -0.00 -0.42 -0.13 0.00 0.00 0.00 0.00 54.91 54.35 2x17 h ALA 86 Cb 0.62 -0.08 -0.02 0.00 0.00 0.00 0.00 17.79 18.31 2x17 h ALA 86 CO 0.03 0.44 -0.63 0.74 0.00 0.00 0.00 179.25 179.83 2x17 h PHE 87 N 0.40 0.00 -0.74 0.00 0.04 -1.36 -1.51 116.94 113.77 2x17 h PHE 87 Ca 0.03 0.00 -0.05 0.00 2.80 0.00 0.00 57.97 60.75 2x17 h PHE 87 Cb 0.92 0.00 -0.03 0.00 2.20 0.00 0.00 35.95 39.04 2x17 h PHE 87 CO 0.08 0.63 0.26 0.93 -0.60 0.00 0.00 178.31 179.60 2x17 h GLU 88 N 0.00 1.13 0.00 1.51 5.08 -1.33 0.17 114.58 121.14 2x17 h GLU 88 Ca -0.01 -0.23 -0.14 0.00 -1.00 0.00 0.00 59.36 57.99 2x17 h GLU 88 Cb 1.19 -0.17 -0.02 0.00 0.50 0.00 0.00 28.75 30.25 2x17 h GLU 88 CO 0.08 0.95 -0.65 0.00 -1.00 0.00 0.00 179.01 178.39 2x17 h ALA 89 N 1.13 0.88 -0.30 3.43 0.00 -1.33 -1.90 119.26 121.16 2x17 h ALA 89 Ca 0.24 -0.60 -0.16 0.00 0.00 0.00 0.00 54.91 54.40 2x17 h ALA 89 Cb 0.27 -0.10 -0.01 0.00 0.00 0.00 0.00 17.79 17.95 2x17 h ALA 89 CO -0.01 0.82 -0.45 0.00 0.00 0.00 0.00 179.25 179.60 2x17 h ALA 90 N 1.35 0.63 -0.20 0.00 0.00 -0.86 -1.66 119.26 118.51 2x17 h ALA 90 Ca -0.01 -0.48 -0.19 0.00 0.00 0.00 0.00 54.91 54.23 2x17 h ALA 90 Cb 1.18 -0.10 0.00 0.00 0.00 0.00 0.00 17.79 18.87 2x17 h ALA 90 CO 0.09 0.67 -0.64 -0.92 0.00 0.00 0.00 179.25 178.45 2x17 h TYR 91 N 0.63 0.96 -0.62 0.00 3.20 -0.63 -0.54 116.97 119.96 2x17 h TYR 91 Ca 0.04 -0.38 -0.05 0.00 3.14 0.00 0.00 58.73 61.48 2x17 h TYR 91 Cb 1.02 -0.17 -0.03 0.00 1.54 0.00 0.00 36.73 39.10 2x17 h TYR 91 CO 0.06 1.18 0.17 1.49 -1.64 0.00 0.00 178.16 179.42 2x17 h GLU 92 N 0.54 0.94 -0.13 1.82 4.81 -1.36 -1.79 114.58 119.41 2x17 h GLU 92 Ca -0.01 -0.19 -0.15 0.00 -0.13 0.00 0.00 59.36 58.87 2x17 h GLU 92 Cb 1.24 -0.14 -0.01 0.00 0.63 0.00 0.00 28.75 30.47 2x17 h GLU 92 CO 0.13 0.83 -0.58 1.25 -0.73 0.00 0.00 179.01 179.91 2x17 h HIS 93 N 0.91 0.52 -0.42 0.92 2.76 -1.17 -1.88 115.15 116.78 2x17 h HIS 93 Ca 0.20 -0.19 -0.09 0.00 -2.20 0.00 0.00 60.37 58.09 2x17 h HIS 93 Cb 0.29 -0.10 -0.02 0.00 1.55 0.00 0.00 27.41 29.14 2x17 h HIS 93 CO 0.02 0.89 -0.12 0.93 -1.30 0.00 0.00 177.93 178.35 2x17 h GLU 94 N 0.31 0.76 0.00 5.26 4.39 -0.84 -0.73 114.58 123.73 2x17 h GLU 94 Ca -0.00 -0.26 -0.08 0.00 0.34 0.00 0.00 59.36 59.36 2x17 h GLU 94 Cb 1.10 -0.06 -0.01 0.00 -0.10 0.00 0.00 28.75 29.68 2x17 h GLU 94 CO 0.10 0.85 -0.39 0.87 -1.16 0.00 0.00 179.01 179.28 2x17 h LYS 95 N 0.69 0.00 -0.34 2.33 1.57 -1.25 -1.78 116.57 117.80 2x17 h LYS 95 Ca 0.12 0.00 -0.16 0.00 -1.87 0.00 0.00 60.65 58.74 2x17 h LYS 95 Cb 0.59 0.00 -0.00 0.00 0.08 0.00 0.00 32.23 32.90 2x17 h LYS 95 CO 0.04 0.39 -0.40 0.35 -0.57 0.00 0.00 179.45 179.26 2x17 h PHE 96 N 0.00 1.05 -0.41 -1.35 3.57 -0.76 -1.90 116.94 117.14 2x17 h PHE 96 Ca -0.00 -0.33 -0.09 0.00 3.53 0.00 0.00 57.97 61.08 2x17 h PHE 96 Cb 0.75 -0.21 -0.01 0.00 2.79 0.00 0.00 35.95 39.26 2x17 h PHE 96 CO 0.00 1.14 -0.09 0.82 -2.23 0.00 0.00 178.31 177.95 2x17 h ILE 97 N 0.66 1.27 -0.57 1.41 1.08 -1.01 -2.39 117.51 117.97 2x17 h ILE 97 Ca 0.05 -1.18 -0.04 0.00 -0.39 0.00 0.00 64.86 63.30 2x17 h ILE 97 Cb 0.99 1.20 -0.03 0.00 -3.07 0.00 0.00 36.82 35.92 2x17 h ILE 97 CO 0.10 0.40 0.21 0.28 -0.69 0.00 0.00 178.15 178.44 2x17 h SER 98 N 0.60 0.76 -0.45 1.72 0.02 -1.34 -1.57 113.55 113.29 2x17 h SER 98 Ca 0.10 -0.11 -0.07 0.00 -0.84 0.00 0.00 61.79 60.88 2x17 h SER 98 Cb 0.62 -0.20 -0.02 0.00 0.14 0.00 0.00 62.40 62.94 2x17 h SER 98 CO 0.04 0.70 0.00 0.50 -1.14 0.00 0.00 176.83 176.93 2x17 h LYS 99 N 0.82 0.80 0.00 3.45 3.64 -1.21 -0.78 116.57 123.29 2x17 h LYS 99 Ca 0.19 -0.25 -0.05 0.00 -1.27 0.00 0.00 60.65 59.27 2x17 h LYS 99 Cb 0.19 -0.07 -0.01 0.00 -0.41 0.00 0.00 32.23 31.93 2x17 h LYS 99 CO -0.01 0.86 -0.25 0.66 -2.27 0.00 0.00 179.45 178.44 2x17 h SER 100 N 0.64 0.00 -0.23 4.20 4.64 -1.23 -1.92 113.55 119.67 2x17 h SER 100 Ca 0.13 0.00 -0.16 0.00 -0.47 0.00 0.00 61.79 61.29 2x17 h SER 100 Cb 0.50 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.59 2x17 h SER 100 CO 0.02 0.25 -0.47 0.40 -0.87 0.00 0.00 176.83 176.16 2x17 h ILE 101 N 0.00 1.31 -0.67 0.95 1.08 -0.92 -2.76 117.51 116.50 2x17 h ILE 101 Ca -0.00 -1.68 -0.03 0.00 -0.39 0.00 0.00 64.86 62.76 2x17 h ILE 101 Cb 0.62 1.79 -0.03 0.00 -3.07 0.00 0.00 36.82 36.13 2x17 h ILE 101 CO 0.03 0.53 0.30 1.88 -0.69 0.00 0.00 178.15 180.20 2x17 h TYR 102 N 0.43 0.99 0.00 1.37 0.05 -0.75 -1.71 116.97 117.36 2x17 h TYR 102 Ca 0.01 -0.06 -0.07 0.00 0.05 0.00 0.00 58.73 58.66 2x17 h TYR 102 Cb 1.07 -0.30 -0.01 0.00 1.01 0.00 0.00 36.73 38.50 2x17 h TYR 102 CO 0.08 0.75 -0.32 0.93 -1.05 0.00 0.00 178.16 178.55 2x17 h GLU 103 N 0.94 0.00 -0.24 4.88 5.08 -1.42 -0.65 114.58 123.17 2x17 h GLU 103 Ca 0.23 0.00 -0.19 0.00 -1.00 0.00 0.00 59.36 58.40 2x17 h GLU 103 Cb 0.15 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.41 2x17 h GLU 103 CO -0.02 0.32 -0.59 -0.07 -1.00 0.00 0.00 179.01 177.65 2x17 h LEU 104 N 0.00 0.88 -0.52 1.33 3.38 -1.17 -2.41 115.31 116.80 2x17 h LEU 104 Ca -0.00 -0.49 -0.14 0.00 0.09 0.00 0.00 57.88 57.34 2x17 h LEU 104 Cb 0.72 -0.25 -0.01 0.00 0.09 0.00 0.00 40.66 41.20 2x17 h LEU 104 CO 0.04 1.27 -0.28 0.00 0.09 0.00 0.00 178.44 179.56 2x17 h ALA 105 N 0.74 0.71 -0.20 1.53 0.00 -0.86 -1.77 119.26 119.41 2x17 h ALA 105 Ca 0.00 -0.41 -0.10 0.00 0.00 0.00 0.00 54.91 54.40 2x17 h ALA 105 Cb 1.19 -0.15 -0.01 0.00 0.00 0.00 0.00 17.79 18.82 2x17 h ALA 105 CO 0.12 0.67 -0.31 0.00 0.00 0.00 0.00 179.25 179.73 2x17 h ALA 106 N 0.91 1.09 -0.18 0.00 0.00 -1.18 -1.61 119.26 118.29 2x17 h ALA 106 Ca 0.09 -0.37 -0.15 0.00 0.00 0.00 0.00 54.91 54.47 2x17 h ALA 106 Cb 0.85 -0.11 -0.01 0.00 0.00 0.00 0.00 17.79 18.52 2x17 h ALA 106 CO 0.07 0.57 -0.53 1.25 0.00 0.00 0.00 179.25 180.61 2x17 h LEU 107 N 0.35 0.58 -0.59 0.00 5.85 -1.33 -1.93 115.31 118.24 2x17 h LEU 107 Ca 0.05 -0.30 -0.14 0.00 0.84 0.00 0.00 57.88 58.32 2x17 h LEU 107 Cb 0.73 -0.16 -0.01 0.00 0.37 0.00 0.00 40.66 41.58 2x17 h LEU 107 CO 0.06 1.00 -0.37 0.00 -0.34 0.00 0.00 178.44 178.78 2x17 h ALA 108 N 1.01 0.77 0.00 1.25 0.00 -1.07 -2.01 119.26 119.21 2x17 h ALA 108 Ca 0.01 -0.43 -0.13 0.00 0.00 0.00 0.00 54.91 54.35 2x17 h ALA 108 Cb 1.07 -0.12 -0.02 0.00 0.00 0.00 0.00 17.79 18.72 2x17 h ALA 108 CO 0.10 0.65 -0.63 0.93 0.00 0.00 0.00 179.25 180.30 2x17 h GLU 109 N 0.59 0.00 -0.09 0.00 5.08 -1.28 0.23 114.58 119.11 2x17 h GLU 109 Ca 0.05 0.00 -0.23 0.00 -1.00 0.00 0.00 59.36 58.18 2x17 h GLU 109 Cb 0.90 0.00 0.01 0.00 0.50 0.00 0.00 28.75 30.16 2x17 h GLU 109 CO 0.08 0.63 -0.85 1.49 -1.00 0.00 0.00 179.01 179.36 2x17 h GLU 110 N 0.00 0.69 -0.01 2.33 4.81 -1.22 -3.18 114.58 118.00 2x17 h GLU 110 Ca -0.01 -0.62 0.00 0.00 -0.13 0.00 0.00 59.36 58.61 2x17 h GLU 110 Cb 1.20 0.15 0.00 0.00 0.63 0.00 0.00 28.75 30.73 2x17 h GLU 110 CO 0.08 1.22 -0.09 0.39 -0.73 0.00 0.00 179.01 179.88 2x17 n GLU 111 N -3.89 0.91 -3.06 1.92 1.02 -0.77 -4.92 120.64 111.85 2x17 n GLU 111 Ca -0.08 -0.35 -0.22 0.00 -0.02 0.00 0.00 57.16 56.49 2x17 n GLU 111 Cb 0.78 -1.49 0.04 0.00 -0.02 0.00 0.00 31.44 30.75 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 -0.74 -5.14 -2.98 3.49 5.02 -0.92 -4.95 118.16 111.95 2x17 n LYS 112 Ca 0.16 0.90 -0.44 0.00 -2.02 0.00 0.00 58.31 56.91 2x17 n LYS 112 Cb 0.27 -5.77 -0.02 0.00 -0.02 0.00 0.00 35.03 29.50 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 -2.76 6.81 0.29 4.39 -1.08 0.77 -4.87 116.67 120.22 2x17 s ASP 113 Ca 0.32 -2.46 0.04 0.00 -0.52 0.00 0.00 52.55 49.93 2x17 s ASP 113 Cb -0.14 -2.38 0.45 0.00 -1.46 0.00 0.00 42.92 39.39 2x17 s ASP 113 CO 0.40 -0.89 1.73 1.88 0.52 0.00 0.00 175.17 178.81 2x17 h TYR 114 N 8.13 0.45 -0.34 -5.34 -1.99 -1.93 -2.52 116.97 113.44 2x17 h TYR 114 Ca 0.21 -0.10 -0.02 0.00 2.00 0.00 0.00 58.73 60.81 2x17 h TYR 114 Cb 0.97 -0.11 -0.01 0.00 2.00 0.00 0.00 36.73 39.58 2x17 h TYR 114 CO 1.12 0.65 0.12 0.77 -0.00 0.00 0.00 178.16 180.82 2x17 h SER 115 N 0.35 0.48 -0.12 3.88 0.02 -1.96 0.44 113.55 116.65 2x17 h SER 115 Ca 0.05 -0.19 -0.14 0.00 -0.84 0.00 0.00 61.79 60.67 2x17 h SER 115 Cb 0.68 -0.13 -0.01 0.00 0.14 0.00 0.00 62.40 63.09 2x17 h SER 115 CO 0.05 0.54 -0.40 0.74 -1.14 0.00 0.00 176.83 176.62 2x17 h THR 116 N 0.40 1.29 -0.56 -2.27 2.02 -1.95 -1.31 112.91 110.53 2x17 h THR 116 Ca 0.11 -1.57 -0.08 0.00 0.77 0.00 0.00 66.41 65.64 2x17 h THR 116 Cb 0.23 1.52 -0.02 0.00 -1.74 0.00 0.00 68.15 68.13 2x17 h THR 116 CO -0.01 0.50 0.03 -0.09 0.37 0.00 0.00 175.52 176.33 2x17 h ARG 117 N 0.54 0.93 -0.04 6.66 9.65 -1.28 -0.98 114.38 129.85 2x17 h ARG 117 Ca 0.04 -0.25 -0.15 0.00 -1.10 0.00 0.00 59.98 58.52 2x17 h ARG 117 Cb 0.93 -0.11 -0.01 0.00 -1.39 0.00 0.00 29.97 29.39 2x17 h ARG 117 CO 0.08 0.90 -0.66 0.00 2.80 0.00 0.00 179.97 183.09 2x17 h ALA 118 N 1.17 0.82 -0.41 2.80 0.00 -0.79 -3.13 119.26 119.72 2x17 h ALA 118 Ca 0.17 -0.58 -0.15 0.00 0.00 0.00 0.00 54.91 54.34 2x17 h ALA 118 Cb 0.46 -0.09 -0.01 0.00 0.00 0.00 0.00 17.79 18.16 2x17 h ALA 118 CO 0.02 0.78 -0.35 0.35 0.00 0.00 0.00 179.25 180.05 2x17 h PHE 119 N 0.12 1.14 0.00 0.00 3.57 -0.99 -3.13 116.94 117.65 2x17 h PHE 119 Ca -0.01 -0.33 0.00 0.00 3.53 0.00 0.00 57.97 61.16 2x17 h PHE 119 Cb 1.18 -0.24 0.00 0.00 2.79 0.00 0.00 35.95 39.67 2x17 h PHE 119 CO 0.02 1.16 0.00 1.28 -2.23 0.00 0.00 178.31 178.54 2x17 n LEU 120 N -4.07 0.35 0.23 0.59 4.77 -0.39 -3.03 117.00 115.44 2x17 n LEU 120 Ca -0.02 0.58 0.08 0.00 -0.03 0.00 0.00 56.01 56.62 2x17 n LEU 120 Cb 0.53 -0.52 0.57 0.00 -2.33 0.00 0.00 43.42 41.68 2x17 n LEU 120 CO 0.48 -0.35 0.89 -0.08 -1.33 0.00 0.00 177.39 177.00 2x17 h GLU 121 N 0.00 0.00 -0.49 3.23 4.57 -1.49 -1.80 114.58 118.61 2x17 h GLU 121 Ca 0.00 0.00 -0.05 0.00 -1.18 0.00 0.00 59.36 58.13 2x17 h GLU 121 Cb 0.36 0.00 -0.02 0.00 -0.16 0.00 0.00 28.75 28.93 2x17 h GLU 121 CO 0.00 0.20 0.11 2.35 -1.18 0.00 0.00 179.01 180.48 2x17 h TRP 122 N 0.00 0.83 -0.00 0.92 7.01 -1.73 -2.90 115.95 120.08 2x17 h TRP 122 Ca -0.00 -0.11 -0.19 0.00 2.11 0.00 0.00 58.89 60.70 2x17 h TRP 122 Cb 0.43 -0.23 -0.01 0.00 -2.10 0.00 0.00 29.16 27.25 2x17 h TRP 122 CO 0.00 0.75 -0.86 0.74 -2.79 0.00 0.00 178.44 176.29 2x17 h PHE 123 N 0.67 0.28 -0.35 2.65 0.04 -1.61 -0.99 116.94 117.62 2x17 h PHE 123 Ca 0.15 -0.15 -0.02 0.00 2.80 0.00 0.00 57.97 60.75 2x17 h PHE 123 Cb 0.35 -0.03 -0.02 0.00 2.20 0.00 0.00 35.95 38.45 2x17 h PHE 123 CO 0.02 0.95 0.15 0.82 -0.60 0.00 0.00 178.31 179.66 2x17 h ILE 124 N 0.11 1.18 -0.22 -0.55 2.04 -1.39 0.68 117.51 119.35 2x17 h ILE 124 Ca -0.04 -0.53 -0.10 0.00 1.00 0.00 0.00 64.86 65.19 2x17 h ILE 124 Cb 1.48 0.88 -0.01 0.00 -0.74 0.00 0.00 36.82 38.42 2x17 h ILE 124 CO 0.13 0.19 -0.30 0.78 0.00 0.00 0.00 178.15 178.95 2x17 h ASN 125 N 0.42 0.44 -0.25 1.72 2.35 -1.50 -3.16 115.58 115.61 2x17 h ASN 125 Ca 0.12 -0.16 -0.17 0.00 -0.55 0.00 0.00 56.30 55.54 2x17 h ASN 125 Cb 0.16 -0.12 0.00 0.00 0.05 0.00 0.00 38.32 38.41 2x17 h ASN 125 CO -0.01 0.73 -0.51 -0.08 -1.65 0.00 0.00 177.43 175.91 2x17 h GLU 126 N 0.38 0.78 0.00 0.81 4.22 -0.93 -3.20 114.58 116.64 2x17 h GLU 126 Ca 0.05 -0.51 -0.01 0.00 0.08 0.00 0.00 59.36 58.98 2x17 h GLU 126 Cb 0.72 0.07 -0.00 0.00 0.50 0.00 0.00 28.75 30.04 2x17 h GLU 126 CO 0.06 1.13 -0.03 1.96 -2.18 0.00 0.00 179.01 179.95 2x17 h GLN 127 N 0.52 0.00 -0.36 1.92 1.08 -0.88 -2.11 115.11 115.29 2x17 h GLN 127 Ca 0.01 0.00 -0.08 0.00 -1.45 0.00 0.00 58.65 57.13 2x17 h GLN 127 Cb 1.11 0.00 -0.01 0.00 -0.05 0.00 0.00 27.48 28.53 2x17 h GLN 127 CO 0.11 0.03 -0.07 0.28 -0.95 0.00 0.00 178.83 178.22 2x17 h VAL 128 N 0.00 1.28 -0.40 -0.54 2.07 -1.54 -2.13 116.25 114.98 2x17 h VAL 128 Ca -0.00 -1.13 -0.05 0.00 0.82 0.00 0.00 66.70 66.34 2x17 h VAL 128 Cb 0.44 1.27 -0.02 0.00 -1.52 0.00 0.00 31.29 31.47 2x17 h VAL 128 CO 0.00 0.37 0.07 -0.33 0.02 0.00 0.00 177.57 177.71 2x17 h GLU 129 N 0.49 0.66 -0.35 1.57 5.08 -1.46 -2.65 114.58 117.91 2x17 h GLU 129 Ca 0.09 -0.18 -0.16 0.00 -1.00 0.00 0.00 59.36 58.12 2x17 h GLU 129 Cb 0.58 -0.08 -0.00 0.00 0.50 0.00 0.00 28.75 29.74 2x17 h GLU 129 CO 0.03 0.71 -0.39 0.93 -1.00 0.00 0.00 179.01 179.28 2x17 h GLU 130 N 0.51 0.89 -0.76 2.33 5.08 -1.45 0.35 114.58 121.53 2x17 h GLU 130 Ca 0.12 -0.49 -0.05 0.00 -1.00 0.00 0.00 59.36 57.95 2x17 h GLU 130 Cb 0.36 0.03 -0.03 0.00 0.50 0.00 0.00 28.75 29.60 2x17 h GLU 130 CO 0.01 1.13 0.28 0.93 -1.00 0.00 0.00 179.01 180.36 2x17 h GLU 131 N 0.70 1.15 -0.22 2.33 5.08 -1.44 -1.15 114.58 121.02 2x17 h GLU 131 Ca 0.05 -0.22 -0.13 0.00 -1.00 0.00 0.00 59.36 58.06 2x17 h GLU 131 Cb 0.99 -0.18 -0.01 0.00 0.50 0.00 0.00 28.75 30.05 2x17 h GLU 131 CO 0.10 0.95 -0.40 0.00 -1.00 0.00 0.00 179.01 178.66 2x17 h ALA 132 N 1.18 0.89 -0.29 3.43 0.00 -1.34 -1.54 119.26 121.59 2x17 h ALA 132 Ca 0.25 -0.43 -0.06 0.00 0.00 0.00 0.00 54.91 54.66 2x17 h ALA 132 Cb 0.25 -0.11 -0.01 0.00 0.00 0.00 0.00 17.79 17.92 2x17 h ALA 132 CO -0.02 0.64 -0.07 1.03 0.00 0.00 0.00 179.25 180.83 2x17 h SER 133 N 0.43 0.57 -0.21 0.00 0.87 -0.63 -1.60 113.55 112.97 2x17 h SER 133 Ca 0.04 -0.36 -0.18 0.00 -1.23 0.00 0.00 61.79 60.05 2x17 h SER 133 Cb 0.89 -0.15 -0.00 0.00 -0.44 0.00 0.00 62.40 62.69 2x17 h SER 133 CO 0.08 0.80 -0.56 0.58 -0.53 0.00 0.00 176.83 177.19 2x17 h VAL 134 N 0.33 1.28 -0.57 2.23 2.07 -1.23 -3.20 116.25 117.16 2x17 h VAL 134 Ca 0.07 -1.76 -0.07 0.00 0.82 0.00 0.00 66.70 65.76 2x17 h VAL 134 Cb 0.55 1.68 -0.02 0.00 -1.52 0.00 0.00 31.29 31.97 2x17 h VAL 134 CO 0.03 0.57 0.06 0.50 0.02 0.00 0.00 177.57 178.75 2x17 h LYS 135 N 0.62 0.94 -0.93 1.57 1.63 -1.28 -1.53 116.57 117.59 2x17 h LYS 135 Ca 0.01 -0.24 0.04 0.00 -0.85 0.00 0.00 60.65 59.60 2x17 h LYS 135 Cb 1.16 -0.11 -0.05 0.00 -0.60 0.00 0.00 32.23 32.62 2x17 h LYS 135 CO 0.12 0.89 0.61 -0.22 -3.45 0.00 0.00 179.45 177.40 2x17 h LYS 136 N 0.88 1.12 0.22 1.90 3.64 -1.29 -1.25 116.57 121.80 2x17 h LYS 136 Ca 0.18 -0.07 -0.32 0.00 -1.27 0.00 0.00 60.65 59.17 2x17 h LYS 136 Cb 0.43 -0.25 0.03 0.00 -0.41 0.00 0.00 32.23 32.02 2x17 h LYS 136 CO 0.01 0.74 -1.44 0.82 -2.27 0.00 0.00 179.45 177.32 2x17 h ILE 137 N 1.16 1.32 -0.45 2.00 2.04 -1.55 -3.23 117.51 118.81 2x17 h ILE 137 Ca 0.37 -2.79 0.07 0.00 1.00 0.00 0.00 64.86 63.51 2x17 h ILE 137 Cb 0.04 3.00 -0.06 0.00 -0.74 0.00 0.00 36.82 39.06 2x17 h ILE 137 CO -0.12 0.83 0.11 0.25 0.00 0.00 0.00 178.15 179.22 2x17 h LEU 138 N 0.13 0.04 -1.45 1.44 6.46 -0.94 -1.98 115.31 119.01 2x17 h LEU 138 Ca -0.23 0.07 -0.06 0.00 -0.12 0.00 0.00 57.88 57.54 2x17 h LEU 138 Cb 2.12 0.09 -0.01 0.00 -0.73 0.00 0.00 40.66 42.13 2x17 h LEU 138 CO 0.25 0.06 -0.27 0.44 -0.62 0.00 0.00 178.44 178.30 2x17 h ASP 139 N 0.25 0.00 0.86 1.25 3.32 -1.35 -1.62 116.42 119.13 2x17 h ASP 139 Ca 0.22 0.00 -0.08 0.00 0.02 0.00 0.00 57.03 57.19 2x17 h ASP 139 Cb 0.27 0.00 -0.01 0.00 0.22 0.00 0.00 39.33 39.80 2x17 h ASP 139 CO -0.27 0.27 -0.39 0.11 -1.72 0.00 0.00 179.24 177.24 2x17 h LYS 140 N 0.00 0.00 0.01 3.56 1.57 -1.39 -1.28 116.57 119.04 2x17 h LYS 140 Ca -0.00 0.00 -0.22 0.00 -1.87 0.00 0.00 60.65 58.56 2x17 h LYS 140 Cb 0.48 0.00 -0.03 0.00 0.08 0.00 0.00 32.23 32.77 2x17 h LYS 140 CO 0.04 0.39 -1.02 -0.07 -0.57 0.00 0.00 179.45 178.21 2x17 h LEU 141 N 0.00 0.04 -1.15 2.94 3.38 -0.67 -2.67 115.31 117.18 2x17 h LEU 141 Ca -0.00 -0.05 -0.08 0.00 0.09 0.00 0.00 57.88 57.84 2x17 h LEU 141 Cb 0.92 -0.01 -0.01 0.00 0.09 0.00 0.00 40.66 41.65 2x17 h LEU 141 CO 0.05 1.03 -0.33 0.11 0.09 0.00 0.00 178.44 179.39 2x17 h LYS 142 N 0.01 0.16 0.00 1.13 1.57 -1.16 -3.01 116.57 115.27 2x17 h LYS 142 Ca -0.02 -0.06 -0.03 0.00 -1.87 0.00 0.00 60.65 58.66 2x17 h LYS 142 Cb 1.78 -0.01 -0.00 0.00 0.08 0.00 0.00 32.23 34.08 2x17 h LYS 142 CO 0.14 0.48 -0.16 0.35 -0.57 0.00 0.00 179.45 179.69 2x17 h PHE 143 N 0.15 0.00 -2.27 -1.35 3.57 -1.10 -3.32 116.94 112.61 2x17 h PHE 143 Ca 0.02 0.00 -0.60 0.00 3.53 0.00 0.00 57.97 60.92 2x17 h PHE 143 Cb 0.66 0.00 -0.41 0.00 2.79 0.00 0.00 35.95 38.99 2x17 h PHE 143 CO 0.01 0.16 -0.57 0.00 -2.23 0.00 0.00 178.31 175.67 2x17 n ALA 144 N -2.16 4.59 0.39 2.41 0.00 -1.02 -4.94 120.51 119.78 2x17 n ALA 144 Ca 0.01 -4.72 -0.15 0.00 0.00 0.00 0.00 53.44 48.58 2x17 n ALA 144 Cb 0.47 -0.82 -0.07 0.00 0.00 0.00 0.00 19.45 19.02 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 3.31 -0.95 -0.80 0.00 1.57 -1.67 -3.30 116.57 114.73 2x17 h LYS 145 Ca 0.16 0.06 -0.56 0.00 -1.87 0.00 0.00 60.65 58.45 2x17 h LYS 145 Cb 0.53 0.22 -0.35 0.00 0.08 0.00 0.00 32.23 32.71 2x17 h LYS 145 CO 0.84 -0.63 -0.15 -0.25 -0.57 0.00 0.00 179.45 178.69 2x17 n ASP 146 N -4.65 5.62 -3.86 0.86 8.00 -1.26 -4.94 116.55 116.32 2x17 n ASP 146 Ca -0.12 -3.77 -0.30 0.00 0.71 0.00 0.00 54.79 51.31 2x17 n ASP 146 Cb 0.39 -0.59 -0.15 0.00 -0.02 0.00 0.00 41.12 40.74 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 -2.87 4.16 0.51 -2.24 0.15 -1.24 -4.95 113.70 107.22 2x17 s SER 147 Ca 0.55 -1.66 0.30 0.00 0.70 0.00 0.00 55.95 55.84 2x17 s SER 147 Cb 0.44 -1.14 1.01 0.00 -1.71 0.00 0.00 66.02 64.62 2x17 s SER 147 CO 0.02 -0.36 1.85 -0.65 1.20 0.00 0.00 173.24 175.30 2x17 h PRO 148 N 7.93 0.00 -0.64 5.44 0.11 -1.92 -3.06 132.00 139.86 2x17 h PRO 148 Ca -0.12 0.00 -0.05 0.00 0.11 0.00 0.00 66.00 65.94 2x17 h PRO 148 Cb 1.03 0.00 -0.03 0.00 0.11 0.00 0.00 31.00 32.12 2x17 h PRO 148 CO 0.47 0.02 0.19 1.96 -0.21 0.00 0.00 178.00 180.42 2x17 h GLN 149 N 0.00 1.00 0.16 1.05 7.50 -1.99 -1.46 115.11 121.38 2x17 h GLN 149 Ca -0.00 -0.22 -0.31 0.00 0.50 0.00 0.00 58.65 58.62 2x17 h GLN 149 Cb 0.69 -0.14 0.03 0.00 0.05 0.00 0.00 27.48 28.10 2x17 h GLN 149 CO 0.00 0.89 -1.31 0.82 -1.50 0.00 0.00 178.83 177.73 2x17 h ILE 150 N 0.93 1.31 -0.52 2.54 2.04 -1.96 -3.13 117.51 118.72 2x17 h ILE 150 Ca 0.21 -2.59 0.02 0.00 1.00 0.00 0.00 64.86 63.49 2x17 h ILE 150 Cb 0.31 2.81 -0.03 0.00 -0.74 0.00 0.00 36.82 39.17 2x17 h ILE 150 CO -0.00 0.78 0.34 0.25 0.00 0.00 0.00 178.15 179.52 2x17 h LEU 151 N 0.22 0.54 -0.51 1.44 5.85 -1.49 0.58 115.31 121.94 2x17 h LEU 151 Ca -0.20 -0.01 -0.05 0.00 0.84 0.00 0.00 57.88 58.46 2x17 h LEU 151 Cb 1.99 -0.13 -0.02 0.00 0.37 0.00 0.00 40.66 42.87 2x17 h LEU 151 CO 0.24 0.38 0.12 0.15 -0.34 0.00 0.00 178.44 178.99 2x17 h PHE 152 N 0.63 0.87 0.00 1.25 3.57 -1.30 -2.56 116.94 119.40 2x17 h PHE 152 Ca 0.20 -0.11 -0.13 0.00 3.53 0.00 0.00 57.97 61.46 2x17 h PHE 152 Cb 0.03 -0.24 -0.02 0.00 2.79 0.00 0.00 35.95 38.50 2x17 h PHE 152 CO -0.00 0.77 -0.64 0.52 -2.23 0.00 0.00 178.31 176.73 2x17 h MET 153 N 0.71 0.00 -0.21 1.11 2.86 -1.26 -2.93 114.93 115.22 2x17 h MET 153 Ca 0.16 0.00 -0.09 0.00 -2.06 0.00 0.00 59.70 57.71 2x17 h MET 153 Cb 0.35 0.00 -0.01 0.00 0.06 0.00 0.00 31.60 32.00 2x17 h MET 153 CO 0.00 0.64 -0.26 -0.07 1.06 0.00 0.00 176.91 178.29 2x17 h LEU 154 N 0.00 0.40 -0.88 1.22 3.38 -0.85 -2.77 115.31 115.80 2x17 h LEU 154 Ca -0.01 -0.13 -0.07 0.00 0.09 0.00 0.00 57.88 57.77 2x17 h LEU 154 Cb 1.17 -0.11 -0.02 0.00 0.09 0.00 0.00 40.66 41.79 2x17 h LEU 154 CO 0.08 0.66 0.08 -0.78 0.09 0.00 0.00 178.44 178.57 2x17 h ASP 155 N 0.36 0.86 0.60 -0.43 3.58 -1.27 -2.00 116.42 118.12 2x17 h ASP 155 Ca 0.05 -0.19 -0.12 0.00 0.42 0.00 0.00 57.03 57.19 2x17 h ASP 155 Cb 0.64 -0.23 -0.02 0.00 1.72 0.00 0.00 39.33 41.45 2x17 h ASP 155 CO 0.05 0.88 -0.57 0.50 -2.88 0.00 0.00 179.24 177.21 2x17 h LYS 156 N 0.86 0.00 -0.13 0.28 3.64 -1.45 -2.26 116.57 117.51 2x17 h LYS 156 Ca 0.18 0.00 -0.22 0.00 -1.27 0.00 0.00 60.65 59.34 2x17 h LYS 156 Cb 0.39 0.00 0.01 0.00 -0.41 0.00 0.00 32.23 32.22 2x17 h LYS 156 CO 0.01 0.57 -0.77 0.93 -2.27 0.00 0.00 179.45 177.92 2x17 h GLU 157 N 0.00 0.76 0.00 1.90 5.08 -1.23 -3.26 114.58 117.84 2x17 h GLU 157 Ca -0.01 -0.64 0.00 0.00 -1.00 0.00 0.00 59.36 57.72 2x17 h GLU 157 Cb 1.03 0.14 0.00 0.00 0.50 0.00 0.00 28.75 30.42 2x17 h GLU 157 CO 0.07 1.24 -0.09 1.28 -1.00 0.00 0.00 179.01 180.52 2x17 n LEU 158 N -3.97 0.32 0.22 1.33 4.77 -0.78 -3.15 117.00 115.75 2x17 n LEU 158 Ca -0.08 0.45 0.15 0.00 -0.03 0.00 0.00 56.01 56.50 2x17 n LEU 158 Cb 0.74 -0.40 0.60 0.00 -2.33 0.00 0.00 43.42 42.03 2x17 n LEU 158 CO 0.53 -0.04 0.94 0.77 -1.33 0.00 0.00 177.39 178.26 2x17 h SER 159 N 0.00 0.00 -0.02 -1.43 4.64 -1.44 -2.87 113.55 112.43 2x17 h SER 159 Ca 0.00 0.00 -0.03 0.00 -0.47 0.00 0.00 61.79 61.29 2x17 h SER 159 Cb 0.58 0.00 -0.01 0.00 -0.31 0.00 0.00 62.40 62.66 2x17 h SER 159 CO 0.00 0.00 -0.07 0.00 -0.87 0.00 0.00 176.83 175.89 2x17 h ALA 160 N 2.11 1.62 -2.33 5.18 0.00 -1.69 -3.38 119.26 120.76 2x17 h ALA 160 Ca 0.00 -0.15 -0.63 0.00 0.00 0.00 0.00 54.91 54.13 2x17 h ALA 160 Cb 0.48 -0.08 -0.13 0.00 0.00 0.00 0.00 17.79 18.06 2x17 h ALA 160 CO 0.00 0.28 0.17 0.50 0.00 0.00 0.00 179.25 180.20 2x17 s ARG 161 N -4.86 3.75 0.11 0.00 3.52 -1.08 -5.06 118.95 115.33 2x17 s ARG 161 Ca -0.06 0.15 0.09 0.00 -0.13 0.00 0.00 55.73 55.78 2x17 s ARG 161 Cb 0.16 -3.78 -0.04 0.00 -1.56 0.00 0.00 34.95 29.73 2x17 s ARG 161 CO 0.72 -0.70 -0.21 0.00 -0.81 0.00 0.00 175.30 174.30 2x17 s ALA 162 N 2.71 1.89 0.33 6.12 0.00 -1.26 -3.32 121.76 128.23 2x17 s ALA 162 Ca 0.25 -1.29 -0.29 0.00 0.00 0.00 0.00 51.96 50.63 2x17 s ALA 162 Cb -0.14 -0.26 -0.11 0.00 0.00 0.00 0.00 23.12 22.61 2x17 s ALA 162 CO 0.14 0.38 1.53 -1.25 0.00 0.00 0.00 175.76 176.55 2x17 s PRO 163 N -1.98 4.13 0.14 0.00 0.04 -1.26 -4.78 135.00 131.30 2x17 s PRO 163 Ca 0.08 2.54 0.22 0.00 0.04 0.00 0.00 61.00 63.88 2x17 s PRO 163 Cb -0.10 -3.01 -0.09 0.00 0.04 0.00 0.00 34.50 31.35 2x17 s PRO 163 CO 0.05 -0.56 0.89 1.63 0.04 0.00 0.00 177.00 179.05 2x17 n LYS 164 N 1.40 0.62 -0.03 4.56 5.02 -1.26 -4.44 118.16 124.03 2x17 n LYS 164 Ca 0.05 0.05 -0.15 0.00 -2.02 0.00 0.00 58.31 56.24 2x17 n LYS 164 Cb 0.38 -1.75 -0.09 0.00 -0.02 0.00 0.00 35.03 33.55 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 0.38 -0.93 -0.35 5.85 -1.99 -3.38 115.31 114.89 2x17 h LEU 165 Ca -0.01 -0.65 0.27 0.00 0.84 0.00 0.00 57.88 58.32 2x17 h LEU 165 Cb 1.04 -0.11 -0.17 0.00 0.37 0.00 0.00 40.66 41.79 2x17 h LEU 165 CO 0.00 0.97 0.14 -0.65 -0.34 0.00 0.00 178.44 178.56 2x17 h PRO 166 N -0.19 0.08 0.00 5.25 0.11 -2.00 0.55 132.00 135.80 2x17 h PRO 166 Ca -0.02 -0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.09 2x17 h PRO 166 Cb 0.95 -0.02 0.00 0.00 0.11 0.00 0.00 31.00 32.05 2x17 h PRO 166 CO 0.06 0.05 0.00 0.41 -0.21 0.00 0.00 178.00 178.31 2x17 n GLY 167 N -1.43 -0.99 0.02 -0.55 0.00 -1.26 -3.72 105.19 97.26 2x17 n GLY 167 Ca 0.23 -0.02 -0.00 0.00 0.00 0.00 0.00 46.02 46.23 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 -0.56 0.00 0.00 0.99 4.77 0.18 -5.04 117.00 117.34 2x17 n LEU 168 Ca 0.03 0.00 0.00 0.00 -0.03 0.00 0.00 56.01 56.01 2x17 n LEU 168 Cb 0.01 0.10 0.00 0.00 -2.33 0.00 0.00 43.42 41.20 2x17 n LEU 168 CO 0.02 0.10 0.00 0.18 -1.33 0.00 0.00 177.39 176.36 2x17 n LEU 169 N -2.04 0.00 -4.66 2.23 7.99 -1.23 -4.98 117.00 114.31 2x17 n LEU 169 Ca -0.07 0.00 -0.41 0.00 -0.01 0.00 0.00 56.01 55.52 2x17 n LEU 169 Cb 0.49 0.00 0.01 0.00 -0.11 0.00 0.00 43.42 43.81 2x17 n LEU 169 CO 0.16 -0.70 0.74 0.23 -1.51 0.00 0.00 177.39 176.31 2x17 n MET 170 N -1.16 1.63 -4.38 3.23 2.81 -1.26 -5.02 117.12 112.96 2x17 n MET 170 Ca 0.00 0.58 -0.27 0.00 -1.81 0.00 0.00 57.70 56.20 2x17 n MET 170 Cb 0.00 -2.22 -0.11 0.00 -0.71 0.00 0.00 33.22 30.18 2x17 n MET 170 CO 0.00 0.00 0.00 -0.65 1.51 0.00 0.00 175.97 176.83 2x17 s GLN 171 N -2.13 1.64 0.00 0.03 -1.52 -1.26 -5.07 119.66 111.34 2x17 s GLN 171 Ca 0.62 -1.43 0.00 0.00 -1.95 0.00 0.00 55.36 52.60 2x17 s GLN 171 Cb -0.53 -1.94 0.00 0.00 -0.22 0.00 0.00 33.01 30.32 2x17 s GLN 171 CO 0.57 0.42 0.00 0.41 -0.25 0.00 0.00 175.29 176.44