#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 4.24 0.50 4.03 1.43 -1.26 -5.06 118.68 122.55 2x17 s LEU 2 Ca 0.00 1.63 -0.19 0.00 -1.03 0.00 0.00 54.13 54.54 2x17 s LEU 2 Cb 0.00 -3.99 -0.08 0.00 0.03 0.00 0.00 46.19 42.15 2x17 s LEU 2 CO 0.00 -0.11 1.02 -0.94 0.23 0.00 0.00 176.35 176.56 2x17 s SER 3 N -1.80 6.38 0.30 2.29 1.04 -1.26 -4.87 113.70 115.78 2x17 s SER 3 Ca 0.51 1.83 0.04 0.00 0.48 0.00 0.00 55.95 58.81 2x17 s SER 3 Cb -0.15 -2.55 0.65 0.00 0.10 0.00 0.00 66.02 64.07 2x17 s SER 3 CO 0.20 -0.76 1.83 -0.08 0.98 0.00 0.00 173.24 175.42 2x17 h GLU 4 N 1.36 0.86 -0.50 4.02 4.81 -1.99 0.15 114.58 123.29 2x17 h GLU 4 Ca -0.49 -0.05 -0.11 0.00 -0.13 0.00 0.00 59.36 58.59 2x17 h GLU 4 Cb 1.21 -0.19 -0.02 0.00 0.63 0.00 0.00 28.75 30.38 2x17 h GLU 4 CO 0.59 0.57 -0.10 -0.09 -0.73 0.00 0.00 179.01 179.25 2x17 h ARG 5 N 0.88 0.95 -0.28 1.92 2.43 -2.00 -2.67 114.38 115.61 2x17 h ARG 5 Ca 0.51 -0.35 -0.09 0.00 -0.81 0.00 0.00 59.98 59.23 2x17 h ARG 5 Cb 0.63 -0.06 -0.01 0.00 -0.42 0.00 0.00 29.97 30.12 2x17 h ARG 5 CO -0.28 1.02 -0.18 1.98 -1.51 0.00 0.00 179.97 180.99 2x17 h MET 6 N 0.80 0.62 -0.93 0.20 4.05 -1.66 -2.53 114.93 115.48 2x17 h MET 6 Ca 0.13 -0.29 0.03 0.00 -0.28 0.00 0.00 59.70 59.28 2x17 h MET 6 Cb 0.65 -0.01 -0.05 0.00 -0.80 0.00 0.00 31.60 31.40 2x17 h MET 6 CO 0.05 0.88 0.61 1.25 0.23 0.00 0.00 176.91 179.92 2x17 h LEU 7 N 0.35 1.03 -0.73 3.39 5.85 -1.01 1.00 115.31 125.19 2x17 h LEU 7 Ca 0.06 -0.02 -0.10 0.00 0.84 0.00 0.00 57.88 58.67 2x17 h LEU 7 Cb 0.72 -0.24 -0.02 0.00 0.37 0.00 0.00 40.66 41.49 2x17 h LEU 7 CO 0.05 0.72 -0.06 0.50 -0.34 0.00 0.00 178.44 179.31 2x17 h LYS 8 N 1.21 0.91 -0.17 1.25 3.64 -1.46 -1.04 116.57 120.90 2x17 h LYS 8 Ca 0.36 -0.30 -0.14 0.00 -1.27 0.00 0.00 60.65 59.30 2x17 h LYS 8 Cb -0.05 -0.08 -0.01 0.00 -0.41 0.00 0.00 32.23 31.68 2x17 h LYS 8 CO -0.10 0.94 -0.49 0.00 -2.27 0.00 0.00 179.45 177.53 2x17 h ALA 9 N 1.10 0.83 -0.15 5.00 0.00 -0.91 -0.74 119.26 124.38 2x17 h ALA 9 Ca 0.14 -0.48 -0.23 0.00 0.00 0.00 0.00 54.91 54.35 2x17 h ALA 9 Cb 0.58 -0.09 0.01 0.00 0.00 0.00 0.00 17.79 18.29 2x17 h ALA 9 CO 0.04 0.67 -0.79 -0.07 0.00 0.00 0.00 179.25 179.10 2x17 h LEU 10 N 0.37 0.94 -1.20 0.00 3.38 -0.73 -2.09 115.31 115.99 2x17 h LEU 10 Ca 0.02 -0.62 -0.08 0.00 0.09 0.00 0.00 57.88 57.29 2x17 h LEU 10 Cb 1.00 -0.28 -0.01 0.00 0.09 0.00 0.00 40.66 41.45 2x17 h LEU 10 CO 0.09 1.42 -0.26 0.78 0.09 0.00 0.00 178.44 180.56 2x17 h ASN 11 N 0.54 0.22 -0.24 -0.43 2.35 -1.16 -2.01 115.58 114.85 2x17 h ASN 11 Ca -0.05 -0.07 -0.08 0.00 -0.55 0.00 0.00 56.30 55.54 2x17 h ASN 11 Cb 1.42 -0.06 -0.00 0.00 0.05 0.00 0.00 38.32 39.72 2x17 h ASN 11 CO 0.16 0.49 -0.18 0.44 -1.65 0.00 0.00 177.43 176.69 2x17 h ASP 12 N 0.20 0.57 -0.62 5.81 3.45 -1.07 -2.63 116.42 122.14 2x17 h ASP 12 Ca 0.03 -0.45 -0.08 0.00 0.43 0.00 0.00 57.03 56.96 2x17 h ASP 12 Cb 0.58 -0.16 -0.03 0.00 -0.56 0.00 0.00 39.33 39.16 2x17 h ASP 12 CO 0.04 0.90 0.08 -0.61 -1.57 0.00 0.00 179.24 178.08 2x17 h GLN 13 N 0.25 1.06 -0.99 3.56 5.75 -1.30 -0.02 115.11 123.42 2x17 h GLN 13 Ca 0.05 -0.29 0.13 0.00 -0.15 0.00 0.00 58.65 58.38 2x17 h GLN 13 Cb 0.71 -0.12 -0.08 0.00 1.07 0.00 0.00 27.48 29.06 2x17 h GLN 13 CO 0.05 0.99 0.63 1.25 -2.65 0.00 0.00 178.83 179.09 2x17 h LEU 14 N 0.99 0.90 -0.57 -2.39 6.46 -1.37 0.17 115.31 119.49 2x17 h LEU 14 Ca 0.19 0.05 -0.15 0.00 -0.12 0.00 0.00 57.88 57.85 2x17 h LEU 14 Cb 0.46 -0.13 -0.02 0.00 -0.73 0.00 0.00 40.66 40.24 2x17 h LEU 14 CO 0.02 0.46 -0.71 -1.13 -0.62 0.00 0.00 178.44 176.46 2x17 h ASN 15 N 0.95 0.02 -0.08 1.25 -0.73 -0.98 -2.35 115.58 113.66 2x17 h ASN 15 Ca 0.50 -0.01 -0.18 0.00 1.87 0.00 0.00 56.30 58.48 2x17 h ASN 15 Cb 0.54 -0.00 -0.00 0.00 0.27 0.00 0.00 38.32 39.12 2x17 h ASN 15 CO -0.27 0.72 -0.59 0.03 -0.37 0.00 0.00 177.43 176.95 2x17 h ARG 16 N 0.01 0.68 -0.39 6.67 3.08 0.33 -2.21 114.38 122.55 2x17 h ARG 16 Ca -0.01 -0.45 -0.12 0.00 0.07 0.00 0.00 59.98 59.46 2x17 h ARG 16 Cb 1.26 0.06 -0.01 0.00 0.08 0.00 0.00 29.97 31.36 2x17 h ARG 16 CO 0.09 1.07 -0.26 0.93 -1.07 0.00 0.00 179.97 180.74 2x17 h GLU 17 N 0.51 0.81 -0.22 0.04 4.39 -0.72 -1.73 114.58 117.66 2x17 h GLU 17 Ca 0.00 -0.35 -0.08 0.00 0.34 0.00 0.00 59.36 59.27 2x17 h GLU 17 Cb 1.17 -0.03 -0.01 0.00 -0.10 0.00 0.00 28.75 29.78 2x17 h GLU 17 CO 0.12 0.98 -0.20 -0.07 -1.16 0.00 0.00 179.01 178.67 2x17 h LEU 18 N 0.70 0.38 -0.35 1.33 3.38 -1.39 -2.62 115.31 116.73 2x17 h LEU 18 Ca 0.09 -0.11 -0.13 0.00 0.09 0.00 0.00 57.88 57.82 2x17 h LEU 18 Cb 0.79 -0.10 -0.01 0.00 0.09 0.00 0.00 40.66 41.43 2x17 h LEU 18 CO 0.07 0.60 -0.28 0.22 0.09 0.00 0.00 178.44 179.13 2x17 h TYR 19 N 0.36 0.97 -0.70 1.13 3.20 -1.20 -2.64 116.97 118.08 2x17 h TYR 19 Ca 0.06 -0.27 0.11 0.00 3.14 0.00 0.00 58.73 61.77 2x17 h TYR 19 Cb 0.56 -0.21 -0.08 0.00 1.54 0.00 0.00 36.73 38.54 2x17 h TYR 19 CO 0.01 1.05 0.30 0.77 -1.64 0.00 0.00 178.16 178.65 2x17 h SER 20 N 0.60 0.33 -0.65 -2.11 0.02 -1.09 0.57 113.55 111.23 2x17 h SER 20 Ca 0.06 0.08 0.02 0.00 -0.84 0.00 0.00 61.79 61.11 2x17 h SER 20 Cb 0.86 0.04 -0.04 0.00 0.14 0.00 0.00 62.40 63.40 2x17 h SER 20 CO 0.07 0.17 0.42 0.00 -1.14 0.00 0.00 176.83 176.35 2x17 h ALA 21 N 1.47 0.83 0.00 3.77 0.00 -1.43 -1.26 119.26 122.65 2x17 h ALA 21 Ca 0.36 -0.03 -0.13 0.00 0.00 0.00 0.00 54.91 55.11 2x17 h ALA 21 Cb 0.46 -0.24 -0.02 0.00 0.00 0.00 0.00 17.79 18.00 2x17 h ALA 21 CO -0.33 0.21 -0.60 -0.92 0.00 0.00 0.00 179.25 177.61 2x17 h TYR 22 N 0.84 0.00 -0.17 0.00 -0.00 -0.75 -1.47 116.97 115.42 2x17 h TYR 22 Ca 0.25 0.00 -0.15 0.00 -0.00 0.00 0.00 58.73 58.83 2x17 h TYR 22 Cb -0.05 0.00 0.00 0.00 -0.00 0.00 0.00 36.73 36.68 2x17 h TYR 22 CO -0.04 0.60 -0.47 1.25 -0.00 0.00 0.00 178.16 179.51 2x17 h LEU 23 N 0.00 0.71 -0.94 2.82 5.85 0.34 -1.84 115.31 122.25 2x17 h LEU 23 Ca -0.01 -0.58 -0.05 0.00 0.84 0.00 0.00 57.88 58.09 2x17 h LEU 23 Cb 1.11 -0.21 -0.01 0.00 0.37 0.00 0.00 40.66 41.92 2x17 h LEU 23 CO 0.08 1.17 -0.21 1.88 -0.34 0.00 0.00 178.44 181.01 2x17 h TYR 24 N 0.30 0.00 0.00 1.25 0.05 -1.19 -1.02 116.97 116.35 2x17 h TYR 24 Ca -0.01 0.00 -0.11 0.00 0.05 0.00 0.00 58.73 58.66 2x17 h TYR 24 Cb 1.08 0.00 -0.02 0.00 1.01 0.00 0.00 36.73 38.81 2x17 h TYR 24 CO 0.09 0.21 -0.52 0.35 -1.05 0.00 0.00 178.16 177.25 2x17 h PHE 25 N 0.00 0.00 -0.06 4.88 -0.00 -1.22 -1.41 116.94 119.12 2x17 h PHE 25 Ca -0.00 0.00 -0.23 0.00 -0.00 0.00 0.00 57.97 57.74 2x17 h PHE 25 Cb 0.81 0.00 0.02 0.00 -0.00 0.00 0.00 35.95 36.78 2x17 h PHE 25 CO 0.00 0.52 -0.85 0.00 -0.00 0.00 0.00 178.31 177.98 2x17 h ALA 26 N 1.48 0.19 -0.65 2.41 0.00 -0.64 -2.70 119.26 119.34 2x17 h ALA 26 Ca -0.01 -0.63 -0.08 0.00 0.00 0.00 0.00 54.91 54.20 2x17 h ALA 26 Cb 1.11 0.03 -0.03 0.00 0.00 0.00 0.00 17.79 18.90 2x17 h ALA 26 CO 0.07 0.61 0.11 0.52 0.00 0.00 0.00 179.25 180.56 2x17 h MET 27 N 0.35 1.07 -0.83 0.00 2.86 -1.20 -2.14 114.93 115.04 2x17 h MET 27 Ca -0.09 -0.28 0.06 0.00 -2.06 0.00 0.00 59.70 57.34 2x17 h MET 27 Cb 1.50 -0.13 -0.06 0.00 0.06 0.00 0.00 31.60 32.97 2x17 h MET 27 CO 0.17 0.98 0.51 0.00 1.06 0.00 0.00 176.91 179.63 2x17 h ALA 28 N 1.11 1.15 -0.71 6.32 0.00 -1.28 0.30 119.26 126.15 2x17 h ALA 28 Ca 0.20 -0.00 -0.07 0.00 0.00 0.00 0.00 54.91 55.04 2x17 h ALA 28 Cb 0.42 -0.21 -0.03 0.00 0.00 0.00 0.00 17.79 17.97 2x17 h ALA 28 CO 0.01 0.24 0.17 0.00 0.00 0.00 0.00 179.25 179.67 2x17 h ALA 29 N 1.40 0.96 -0.34 0.00 0.00 -1.20 -1.09 119.26 118.99 2x17 h ALA 29 Ca 0.37 -0.25 -0.04 0.00 0.00 0.00 0.00 54.91 54.99 2x17 h ALA 29 Cb 0.18 -0.27 -0.01 0.00 0.00 0.00 0.00 17.79 17.69 2x17 h ALA 29 CO -0.18 0.67 0.06 -0.92 0.00 0.00 0.00 179.25 178.88 2x17 h TYR 30 N 1.07 0.59 -0.24 0.00 3.20 -0.68 -2.27 116.97 118.65 2x17 h TYR 30 Ca 0.22 -0.08 -0.11 0.00 3.14 0.00 0.00 58.73 61.90 2x17 h TYR 30 Cb 0.38 -0.16 -0.01 0.00 1.54 0.00 0.00 36.73 38.47 2x17 h TYR 30 CO 0.03 0.62 -0.30 0.74 -1.64 0.00 0.00 178.16 177.61 2x17 h PHE 31 N 0.39 0.55 -0.31 -3.82 0.04 -0.90 -2.78 116.94 110.12 2x17 h PHE 31 Ca 0.10 -0.13 -0.04 0.00 2.80 0.00 0.00 57.97 60.70 2x17 h PHE 31 Cb 0.35 -0.13 -0.02 0.00 2.20 0.00 0.00 35.95 38.35 2x17 h PHE 31 CO 0.02 0.74 0.00 1.49 -0.60 0.00 0.00 178.31 179.96 2x17 h GLU 32 N 0.42 0.48 -0.56 1.51 4.57 -1.09 -0.95 114.58 118.96 2x17 h GLU 32 Ca 0.05 -0.10 -0.09 0.00 -1.18 0.00 0.00 59.36 58.05 2x17 h GLU 32 Cb 0.74 -0.07 -0.02 0.00 -0.16 0.00 0.00 28.75 29.24 2x17 h GLU 32 CO 0.06 0.51 0.00 0.22 -1.18 0.00 0.00 179.01 178.62 2x17 h ASP 33 N 0.46 0.93 0.70 1.04 3.58 -1.13 -2.65 116.42 119.34 2x17 h ASP 33 Ca 0.10 -0.25 0.00 0.00 0.42 0.00 0.00 57.03 57.31 2x17 h ASP 33 Cb 0.30 -0.25 0.00 0.00 1.72 0.00 0.00 39.33 41.11 2x17 h ASP 33 CO 0.01 0.98 0.00 0.18 -2.88 0.00 0.00 179.24 177.53 2x17 n LEU 34 N -4.19 0.00 0.00 2.28 4.77 -1.02 -4.89 117.00 113.95 2x17 n LEU 34 Ca 0.03 0.40 0.00 0.00 -0.03 0.00 0.00 56.01 56.41 2x17 n LEU 34 Cb 0.33 -0.40 0.00 0.00 -2.33 0.00 0.00 43.42 41.02 2x17 n LEU 34 CO 0.43 -0.05 0.00 0.61 -1.33 0.00 0.00 177.39 177.05 2x17 n GLY 35 N 1.04 0.62 3.32 -0.72 0.00 -1.00 -5.00 105.19 103.45 2x17 n GLY 35 Ca 0.09 -0.30 -0.44 0.00 0.00 0.00 0.00 46.02 45.36 2x17 n GLY 35 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 2x17 n LEU 36 N 0.00 5.58 0.15 0.99 4.77 -0.39 -4.85 117.00 123.25 2x17 n LEU 36 Ca 0.00 -4.75 0.03 0.00 -0.03 0.00 0.00 56.01 51.25 2x17 n LEU 36 Cb 0.00 -1.53 0.40 0.00 -2.33 0.00 0.00 43.42 39.96 2x17 n LEU 36 CO 0.00 1.10 0.84 -0.33 -1.33 0.00 0.00 177.39 177.67 2x17 h GLU 37 N 6.67 0.14 -0.60 3.23 5.08 -1.90 -1.62 114.58 125.59 2x17 h GLU 37 Ca 0.27 -0.04 -0.09 0.00 -1.00 0.00 0.00 59.36 58.49 2x17 h GLU 37 Cb 0.83 -0.02 -0.02 0.00 0.50 0.00 0.00 28.75 30.04 2x17 h GLU 37 CO 1.21 0.35 0.00 0.78 -1.00 0.00 0.00 179.01 180.35 2x17 h GLY 38 N 0.80 1.12 1.14 -3.84 0.00 -1.89 0.17 103.07 100.58 2x17 h GLY 38 Ca 0.02 -0.82 -0.14 0.00 0.00 0.00 0.00 47.33 46.40 2x17 h GLY 38 CO 0.03 0.75 -0.27 0.74 0.00 0.00 0.00 176.54 177.79 2x17 h PHE 39 N 0.95 1.12 -0.43 5.60 -1.00 -1.69 -2.31 116.94 119.19 2x17 h PHE 39 Ca 0.17 -0.29 -0.04 0.00 2.81 0.00 0.00 57.97 60.62 2x17 h PHE 39 Cb 0.55 -0.25 -0.02 0.00 3.61 0.00 0.00 35.95 39.84 2x17 h PHE 39 CO 0.04 1.11 0.10 0.00 -1.61 0.00 0.00 178.31 177.95 2x17 h ALA 40 N 0.86 0.56 -0.14 2.45 0.00 -0.98 -1.92 119.26 120.10 2x17 h ALA 40 Ca 0.09 -0.20 -0.10 0.00 0.00 0.00 0.00 54.91 54.70 2x17 h ALA 40 Cb 0.85 -0.16 -0.01 0.00 0.00 0.00 0.00 17.79 18.46 2x17 h ALA 40 CO 0.08 0.25 -0.37 -0.91 0.00 0.00 0.00 179.25 178.29 2x17 h ASN 41 N 0.56 0.31 -0.58 0.00 2.35 -0.72 -1.89 115.58 115.62 2x17 h ASN 41 Ca 0.13 -0.12 -0.04 0.00 -0.55 0.00 0.00 56.30 55.72 2x17 h ASN 41 Cb 0.32 -0.09 -0.02 0.00 0.05 0.00 0.00 38.32 38.58 2x17 h ASN 41 CO 0.00 0.66 0.19 -0.25 -1.65 0.00 0.00 177.43 176.38 2x17 h TRP 42 N 0.26 0.92 -0.19 1.19 7.01 -1.21 -2.39 115.95 121.54 2x17 h TRP 42 Ca 0.03 -0.09 -0.17 0.00 2.11 0.00 0.00 58.89 60.77 2x17 h TRP 42 Cb 0.77 -0.27 -0.00 0.00 -2.10 0.00 0.00 29.16 27.56 2x17 h TRP 42 CO 0.02 0.77 -0.58 0.52 -2.79 0.00 0.00 178.44 176.37 2x17 h MET 43 N 0.81 0.61 -0.71 2.65 2.86 -1.19 -1.99 114.93 117.98 2x17 h MET 43 Ca 0.19 -0.40 -0.02 0.00 -2.06 0.00 0.00 59.70 57.40 2x17 h MET 43 Cb 0.27 0.05 -0.03 0.00 0.06 0.00 0.00 31.60 31.95 2x17 h MET 43 CO -0.01 1.02 0.35 0.87 1.06 0.00 0.00 176.91 180.20 2x17 h LYS 44 N 0.46 1.01 -0.14 1.72 1.57 -1.31 0.19 116.57 120.07 2x17 h LYS 44 Ca 0.00 -0.15 -0.09 0.00 -1.87 0.00 0.00 60.65 58.54 2x17 h LYS 44 Cb 1.14 -0.18 -0.01 0.00 0.08 0.00 0.00 32.23 33.26 2x17 h LYS 44 CO 0.11 0.79 -0.33 0.00 -0.57 0.00 0.00 179.45 179.45 2x17 h ALA 45 N 1.17 1.18 -0.14 3.86 0.00 -1.36 -1.81 119.26 122.16 2x17 h ALA 45 Ca 0.24 -0.36 -0.18 0.00 0.00 0.00 0.00 54.91 54.61 2x17 h ALA 45 Cb 0.11 -0.09 -0.00 0.00 0.00 0.00 0.00 17.79 17.80 2x17 h ALA 45 CO -0.03 0.54 -0.67 0.37 0.00 0.00 0.00 179.25 179.46 2x17 h GLN 46 N 0.24 0.54 -0.80 0.00 5.75 -0.94 -2.94 115.11 116.97 2x17 h GLN 46 Ca 0.03 -0.40 -0.02 0.00 -0.15 0.00 0.00 58.65 58.10 2x17 h GLN 46 Cb 0.71 0.07 -0.04 0.00 1.07 0.00 0.00 27.48 29.29 2x17 h GLN 46 CO 0.05 1.03 0.41 0.00 -2.65 0.00 0.00 178.83 177.67 2x17 h ALA 47 N 0.87 1.03 -0.42 3.38 0.00 -0.32 -2.42 119.26 121.37 2x17 h ALA 47 Ca -0.02 -0.14 -0.03 0.00 0.00 0.00 0.00 54.91 54.72 2x17 h ALA 47 Cb 1.25 -0.32 -0.02 0.00 0.00 0.00 0.00 17.79 18.70 2x17 h ALA 47 CO 0.12 0.57 0.14 0.93 0.00 0.00 0.00 179.25 181.02 2x17 h GLU 48 N 1.12 0.61 -0.15 0.00 5.08 -1.32 -2.68 114.58 117.24 2x17 h GLU 48 Ca 0.28 -0.09 -0.12 0.00 -1.00 0.00 0.00 59.36 58.43 2x17 h GLU 48 Cb 0.08 -0.11 -0.01 0.00 0.50 0.00 0.00 28.75 29.21 2x17 h GLU 48 CO -0.04 0.53 -0.42 0.93 -1.00 0.00 0.00 179.01 179.00 2x17 h GLU 49 N 0.61 0.36 -0.23 2.33 4.39 -1.26 -2.43 114.58 118.35 2x17 h GLU 49 Ca 0.15 -0.18 -0.17 0.00 0.34 0.00 0.00 59.36 59.49 2x17 h GLU 49 Cb 0.17 0.00 -0.00 0.00 -0.10 0.00 0.00 28.75 28.81 2x17 h GLU 49 CO -0.01 0.73 -0.54 0.93 -1.16 0.00 0.00 179.01 178.96 2x17 h GLU 50 N 0.30 0.67 -0.60 2.33 4.39 -1.16 -1.89 114.58 118.63 2x17 h GLU 50 Ca 0.02 -0.42 -0.00 0.00 0.34 0.00 0.00 59.36 59.31 2x17 h GLU 50 Cb 0.87 0.05 -0.03 0.00 -0.10 0.00 0.00 28.75 29.54 2x17 h GLU 50 CO 0.07 1.04 0.37 0.82 -1.16 0.00 0.00 179.01 180.15 2x17 h ILE 51 N 0.52 1.16 -0.72 3.13 2.04 -1.41 -1.22 117.51 121.00 2x17 h ILE 51 Ca 0.01 -0.34 -0.02 0.00 1.00 0.00 0.00 64.86 65.52 2x17 h ILE 51 Cb 1.10 0.31 -0.03 0.00 -0.74 0.00 0.00 36.82 37.46 2x17 h ILE 51 CO 0.11 0.17 0.39 1.23 0.00 0.00 0.00 178.15 180.04 2x17 h GLY 52 N 0.84 1.09 1.21 5.37 0.00 -0.93 -1.20 103.07 109.44 2x17 h GLY 52 Ca 0.22 -0.50 -0.10 0.00 0.00 0.00 0.00 47.33 46.95 2x17 h GLY 52 CO -0.04 0.48 -0.06 0.45 0.00 0.00 0.00 176.54 177.36 2x17 h HIS 53 N 1.00 1.03 -0.69 5.60 3.86 -0.83 -2.66 115.15 122.46 2x17 h HIS 53 Ca 0.25 -0.19 -0.03 0.00 -1.16 0.00 0.00 60.37 59.24 2x17 h HIS 53 Cb 0.05 -0.27 -0.03 0.00 1.06 0.00 0.00 27.41 28.22 2x17 h HIS 53 CO -0.00 0.95 0.30 0.00 0.86 0.00 0.00 177.93 180.05 2x17 h ALA 54 N 1.07 0.90 0.00 2.45 0.00 -0.91 -2.42 119.26 120.34 2x17 h ALA 54 Ca 0.15 -0.16 -0.05 0.00 0.00 0.00 0.00 54.91 54.85 2x17 h ALA 54 Cb 0.59 -0.27 -0.01 0.00 0.00 0.00 0.00 17.79 18.10 2x17 h ALA 54 CO 0.04 0.49 -0.21 -0.07 0.00 0.00 0.00 179.25 179.50 2x17 h LEU 55 N 0.98 0.00 -0.50 0.00 3.38 -1.12 -2.09 115.31 115.95 2x17 h LEU 55 Ca 0.23 0.00 -0.16 0.00 0.09 0.00 0.00 57.88 58.04 2x17 h LEU 55 Cb 0.17 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 40.91 2x17 h LEU 55 CO -0.02 0.21 -0.58 0.03 0.09 0.00 0.00 178.44 178.17 2x17 h ARG 56 N 0.00 0.54 -0.27 1.13 3.08 -1.08 -0.58 114.38 117.19 2x17 h ARG 56 Ca -0.00 -0.35 -0.14 0.00 0.07 0.00 0.00 59.98 59.56 2x17 h ARG 56 Cb 0.57 0.05 -0.00 0.00 0.08 0.00 0.00 29.97 30.66 2x17 h ARG 56 CO 0.03 0.96 -0.37 0.74 -1.07 0.00 0.00 179.97 180.26 2x17 h PHE 57 N 0.41 0.90 -0.37 3.04 0.04 -1.29 -1.96 116.94 117.70 2x17 h PHE 57 Ca 0.00 -0.29 0.07 0.00 2.80 0.00 0.00 57.97 60.55 2x17 h PHE 57 Cb 1.12 -0.18 -0.07 0.00 2.20 0.00 0.00 35.95 39.03 2x17 h PHE 57 CO 0.05 1.06 -0.08 -0.92 -0.60 0.00 0.00 178.31 177.82 2x17 h TYR 58 N 0.47 -0.18 -0.75 -0.55 5.03 -1.29 -0.44 116.97 119.26 2x17 h TYR 58 Ca 0.03 0.03 -0.03 0.00 2.58 0.00 0.00 58.73 61.34 2x17 h TYR 58 Cb 0.96 0.14 -0.03 0.00 1.55 0.00 0.00 36.73 39.34 2x17 h TYR 58 CO 0.08 -0.15 0.34 -0.91 -1.32 0.00 0.00 178.16 176.19 2x17 h ASN 59 N 0.01 1.00 -0.28 -2.11 2.35 -1.08 -3.09 115.58 112.37 2x17 h ASN 59 Ca 0.18 -0.15 -0.09 0.00 -0.55 0.00 0.00 56.30 55.69 2x17 h ASN 59 Cb 0.27 -0.26 -0.01 0.00 0.05 0.00 0.00 38.32 38.37 2x17 h ASN 59 CO -0.37 0.87 -0.18 0.22 -1.65 0.00 0.00 177.43 176.32 2x17 h TYR 60 N 1.06 0.72 -0.38 1.19 3.20 -0.87 -1.94 116.97 119.95 2x17 h TYR 60 Ca 0.25 -0.19 0.05 0.00 3.14 0.00 0.00 58.73 61.98 2x17 h TYR 60 Cb 0.15 -0.16 -0.04 0.00 1.54 0.00 0.00 36.73 38.22 2x17 h TYR 60 CO 0.01 0.88 0.12 0.82 -1.64 0.00 0.00 178.16 178.35 2x17 h ILE 61 N 0.36 0.87 0.00 1.81 2.04 -1.09 -1.59 117.51 119.91 2x17 h ILE 61 Ca 0.06 -0.09 -0.07 0.00 1.00 0.00 0.00 64.86 65.76 2x17 h ILE 61 Cb 0.71 0.57 -0.01 0.00 -0.74 0.00 0.00 36.82 37.36 2x17 h ILE 61 CO 0.05 0.05 -0.33 1.88 0.00 0.00 0.00 178.15 179.80 2x17 h TYR 62 N 0.27 0.00 0.00 1.37 0.05 -1.55 0.14 116.97 117.25 2x17 h TYR 62 Ca 0.18 0.00 -0.06 0.00 0.05 0.00 0.00 58.73 58.90 2x17 h TYR 62 Cb 0.17 0.00 -0.01 0.00 1.01 0.00 0.00 36.73 37.90 2x17 h TYR 62 CO -0.16 0.33 -0.29 -0.44 -1.05 0.00 0.00 178.16 176.55 2x17 h ASP 63 N 0.00 0.00 -0.58 3.88 3.32 -0.51 -2.64 116.42 119.89 2x17 h ASP 63 Ca -0.00 0.00 -0.09 0.00 0.02 0.00 0.00 57.03 56.95 2x17 h ASP 63 Cb 0.79 0.00 -0.05 0.00 0.22 0.00 0.00 39.33 40.28 2x17 h ASP 63 CO 0.04 0.29 0.10 0.54 -1.72 0.00 0.00 179.24 178.50 2x17 n ARG 64 N -3.79 4.01 -1.94 3.56 5.12 -0.68 -4.94 116.66 118.00 2x17 n ARG 64 Ca -0.01 -3.09 -0.17 0.00 -1.93 0.00 0.00 57.85 52.64 2x17 n ARG 64 Cb 0.39 -2.16 -0.04 0.00 -1.16 0.00 0.00 32.46 29.48 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 0.06 -5.08 -2.30 0.55 5.15 -1.00 -4.15 115.26 108.49 2x17 n ASN 65 Ca 0.32 0.19 -0.03 0.00 -0.60 0.00 0.00 54.58 54.46 2x17 n ASN 65 Cb 1.22 -4.14 0.02 0.00 -0.53 0.00 0.00 39.78 36.35 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 -0.94 0.40 2.96 8.20 0.00 0.46 -4.96 105.19 111.32 2x17 n GLY 66 Ca -0.19 -1.91 -0.21 0.00 0.00 0.00 0.00 46.02 43.71 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 -2.83 1.07 -0.14 1.61 6.06 -1.26 -4.46 118.95 119.00 2x17 s ARG 67 Ca 0.08 -0.25 -0.20 0.00 -2.50 0.00 0.00 55.73 52.87 2x17 s ARG 67 Cb -0.00 -0.98 -0.03 0.00 0.06 0.00 0.00 34.95 33.99 2x17 s ARG 67 CO 0.06 0.01 0.58 0.08 -2.50 0.00 0.00 175.30 173.53 2x17 s VAL 68 N 0.59 5.09 -0.13 7.11 1.01 -1.26 -4.99 120.40 127.82 2x17 s VAL 68 Ca -0.10 1.13 0.03 0.00 0.00 0.00 0.00 61.98 63.05 2x17 s VAL 68 Cb -0.13 -3.91 0.01 0.00 0.00 0.00 0.00 36.38 32.35 2x17 s VAL 68 CO 0.01 0.22 -0.22 -0.70 0.00 0.00 0.00 175.10 174.41 2x17 s GLU 69 N 1.22 3.04 -0.29 2.72 2.12 -1.26 -5.11 118.70 121.15 2x17 s GLU 69 Ca 0.29 -0.85 -0.17 0.00 0.36 0.00 0.00 54.97 54.59 2x17 s GLU 69 Cb -0.16 -2.41 -0.02 0.00 0.26 0.00 0.00 34.13 31.79 2x17 s GLU 69 CO 0.12 0.04 0.48 -0.51 -0.54 0.00 0.00 175.26 174.85 2x17 s LEU 70 N 0.69 4.14 0.42 2.70 1.43 -1.26 -4.92 118.68 121.88 2x17 s LEU 70 Ca -0.10 0.31 -0.04 0.00 -1.03 0.00 0.00 54.13 53.27 2x17 s LEU 70 Cb -0.16 -2.59 -0.04 0.00 0.03 0.00 0.00 46.19 43.43 2x17 s LEU 70 CO 0.01 -0.32 0.70 -1.81 0.23 0.00 0.00 176.35 175.16 2x17 s ASP 71 N 1.63 6.31 0.44 2.29 1.01 -1.26 -5.05 116.67 122.04 2x17 s ASP 71 Ca 0.19 0.80 -0.25 0.00 0.71 0.00 0.00 52.55 54.00 2x17 s ASP 71 Cb -0.16 -2.19 -0.08 0.00 1.01 0.00 0.00 42.92 41.50 2x17 s ASP 71 CO 0.11 -0.46 1.39 -1.83 0.21 0.00 0.00 175.17 174.59 2x17 s GLU 72 N -4.45 3.74 -0.31 8.23 4.04 -1.26 -4.99 118.70 123.70 2x17 s GLU 72 Ca 0.45 2.33 -0.15 0.00 0.04 0.00 0.00 54.97 57.65 2x17 s GLU 72 Cb -0.10 -2.67 -0.02 0.00 0.02 0.00 0.00 34.13 31.36 2x17 s GLU 72 CO 0.40 -0.74 0.35 0.42 -1.84 0.00 0.00 175.26 173.86 2x17 s ILE 73 N -1.23 5.18 0.59 1.83 1.01 -1.26 -5.07 121.20 122.25 2x17 s ILE 73 Ca 0.60 0.25 -0.18 0.00 0.00 0.00 0.00 60.65 61.32 2x17 s ILE 73 Cb -0.42 -3.76 -0.04 0.00 0.01 0.00 0.00 42.46 38.26 2x17 s ILE 73 CO 0.54 0.02 1.13 -2.16 0.00 0.00 0.00 174.94 174.47 2x17 s PRO 74 N 2.03 3.12 0.06 2.79 0.04 -1.26 -4.97 135.00 136.81 2x17 s PRO 74 Ca 0.13 1.55 -0.31 0.00 0.04 0.00 0.00 61.00 62.41 2x17 s PRO 74 Cb -0.16 -1.98 -0.08 0.00 0.04 0.00 0.00 34.50 32.32 2x17 s PRO 74 CO 0.11 -1.02 1.66 0.21 0.04 0.00 0.00 177.00 177.99 2x17 s LYS 75 N -3.58 4.20 0.60 4.56 2.20 -1.26 -5.01 119.74 121.44 2x17 s LYS 75 Ca 0.71 2.32 -0.07 0.00 -0.36 0.00 0.00 55.97 58.57 2x17 s LYS 75 Cb -0.23 -3.64 -0.00 0.00 -1.51 0.00 0.00 37.83 32.44 2x17 s LYS 75 CO 0.33 -0.74 0.93 -1.25 -0.36 0.00 0.00 175.35 174.26 2x17 s PRO 76 N 2.78 3.11 0.28 4.03 0.04 -1.26 -5.02 135.00 138.96 2x17 s PRO 76 Ca 0.74 0.22 -0.30 0.00 0.04 0.00 0.00 61.00 61.70 2x17 s PRO 76 Cb -0.39 -2.22 -0.12 0.00 0.04 0.00 0.00 34.50 31.81 2x17 s PRO 76 CO 0.32 -0.66 1.52 -2.30 0.04 0.00 0.00 177.00 175.93 2x17 n PRO 77 N -2.63 2.47 0.01 0.56 -0.02 -1.26 -4.94 135.00 129.19 2x17 n PRO 77 Ca 0.04 0.88 -0.18 0.00 -2.02 0.00 0.00 63.50 62.23 2x17 n PRO 77 Cb 0.57 -2.62 -0.13 0.00 -0.02 0.00 0.00 33.50 31.30 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 4.49 0.23 -5.31 -0.52 3.64 -1.95 -3.45 116.57 113.70 2x17 h LYS 78 Ca -0.46 -0.35 -0.40 0.00 -1.27 0.00 0.00 60.65 58.17 2x17 h LYS 78 Cb 1.24 0.12 -0.14 0.00 -0.41 0.00 0.00 32.23 33.04 2x17 h LYS 78 CO 0.77 1.13 -0.71 -1.21 -2.27 0.00 0.00 179.45 177.16 2x17 s GLU 79 N -2.55 1.25 0.05 1.90 2.02 -1.26 -4.67 118.70 115.44 2x17 s GLU 79 Ca -0.15 -1.57 0.01 0.00 0.02 0.00 0.00 54.97 53.28 2x17 s GLU 79 Cb 0.00 -0.87 -0.03 0.00 0.10 0.00 0.00 34.13 33.33 2x17 s GLU 79 CO 0.79 0.09 -0.06 -1.58 0.02 0.00 0.00 175.26 174.53 2x17 s TRP 80 N -3.17 0.57 0.26 1.61 0.51 -1.26 -5.07 118.94 112.39 2x17 s TRP 80 Ca 0.22 -0.67 -0.05 0.00 -2.12 0.00 0.00 56.10 53.48 2x17 s TRP 80 Cb 0.02 -0.36 0.30 0.00 -0.81 0.00 0.00 33.47 32.61 2x17 s TRP 80 CO 0.05 -0.17 1.87 0.93 -0.51 0.00 0.00 176.95 179.12 2x17 h GLU 81 N 4.07 1.14 -3.52 4.98 5.08 -2.01 -3.46 114.58 120.86 2x17 h GLU 81 Ca -0.34 -0.14 -0.06 0.00 -1.00 0.00 0.00 59.36 57.81 2x17 h GLU 81 Cb 1.19 -0.22 -0.13 0.00 0.50 0.00 0.00 28.75 30.09 2x17 h GLU 81 CO 0.49 0.85 -0.17 -1.54 -1.00 0.00 0.00 179.01 177.64 2x17 s SER 82 N -6.32 -0.12 0.43 1.42 1.04 -1.26 -5.01 113.70 103.88 2x17 s SER 82 Ca -0.12 -0.42 0.20 0.00 0.48 0.00 0.00 55.95 56.09 2x17 s SER 82 Cb 0.17 0.43 1.15 0.00 0.10 0.00 0.00 66.02 67.86 2x17 s SER 82 CO 0.82 -0.81 1.85 -0.65 0.98 0.00 0.00 173.24 175.42 2x17 h PRO 83 N 2.50 0.33 -0.11 4.02 0.11 -1.99 0.42 132.00 137.28 2x17 h PRO 83 Ca -0.34 -0.02 -0.01 0.00 0.11 0.00 0.00 66.00 65.74 2x17 h PRO 83 Cb 1.24 -0.08 -0.00 0.00 0.11 0.00 0.00 31.00 32.27 2x17 h PRO 83 CO 0.50 0.22 0.05 1.25 -0.21 0.00 0.00 178.00 179.81 2x17 h LEU 84 N 0.34 0.15 -1.60 2.35 5.85 -1.96 -2.85 115.31 117.60 2x17 h LEU 84 Ca 0.48 -0.15 -0.04 0.00 0.84 0.00 0.00 57.88 59.02 2x17 h LEU 84 Cb 1.31 -0.04 -0.01 0.00 0.37 0.00 0.00 40.66 42.29 2x17 h LEU 84 CO -0.17 0.25 -0.20 0.11 -0.34 0.00 0.00 178.44 178.09 2x17 h LYS 85 N 0.03 0.00 -0.32 1.25 1.79 -1.58 -2.26 116.57 115.49 2x17 h LYS 85 Ca 0.04 0.00 -0.13 0.00 -2.18 0.00 0.00 60.65 58.38 2x17 h LYS 85 Cb 0.15 0.00 -0.01 0.00 -1.58 0.00 0.00 32.23 30.79 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 0.81 0.00 3.86 0.00 -0.82 -2.71 119.26 122.20 2x17 h ALA 86 Ca -0.00 -0.42 -0.04 0.00 0.00 0.00 0.00 54.91 54.45 2x17 h ALA 86 Cb 0.49 -0.13 -0.01 0.00 0.00 0.00 0.00 17.79 18.15 2x17 h ALA 86 CO 0.03 0.64 -0.40 0.74 0.00 0.00 0.00 179.25 180.26 2x17 h PHE 87 N 0.59 0.00 -0.33 0.00 0.04 -1.26 -2.86 116.94 113.12 2x17 h PHE 87 Ca 0.06 0.00 -0.13 0.00 2.80 0.00 0.00 57.97 60.70 2x17 h PHE 87 Cb 0.86 0.00 -0.01 0.00 2.20 0.00 0.00 35.95 39.00 2x17 h PHE 87 CO 0.04 0.18 -0.33 0.93 -0.60 0.00 0.00 178.31 178.53 2x17 h GLU 88 N 0.00 0.74 0.00 1.51 5.08 -1.32 -1.25 114.58 119.33 2x17 h GLU 88 Ca -0.01 -0.35 -0.13 0.00 -1.00 0.00 0.00 59.36 57.87 2x17 h GLU 88 Cb 1.15 -0.01 -0.02 0.00 0.50 0.00 0.00 28.75 30.37 2x17 h GLU 88 CO 0.02 0.96 -0.63 0.00 -1.00 0.00 0.00 179.01 178.36 2x17 h ALA 89 N 1.01 0.85 -0.24 3.43 0.00 -1.52 -2.34 119.26 120.46 2x17 h ALA 89 Ca 0.07 -0.57 -0.13 0.00 0.00 0.00 0.00 54.91 54.28 2x17 h ALA 89 Cb 0.86 -0.10 -0.00 0.00 0.00 0.00 0.00 17.79 18.55 2x17 h ALA 89 CO 0.07 0.79 -0.35 0.00 0.00 0.00 0.00 179.25 179.76 2x17 h ALA 90 N 1.37 0.36 -0.23 0.00 0.00 -1.33 -1.11 119.26 118.32 2x17 h ALA 90 Ca -0.01 -0.43 -0.10 0.00 0.00 0.00 0.00 54.91 54.37 2x17 h ALA 90 Cb 1.19 -0.07 -0.01 0.00 0.00 0.00 0.00 17.79 18.90 2x17 h ALA 90 CO 0.08 0.43 -0.30 -0.92 0.00 0.00 0.00 179.25 178.54 2x17 h TYR 91 N 0.37 0.53 -0.47 0.00 3.20 -1.24 0.17 116.97 119.53 2x17 h TYR 91 Ca 0.02 -0.12 -0.11 0.00 3.14 0.00 0.00 58.73 61.66 2x17 h TYR 91 Cb 0.94 -0.13 -0.02 0.00 1.54 0.00 0.00 36.73 39.07 2x17 h TYR 91 CO 0.08 0.72 -0.15 1.49 -1.64 0.00 0.00 178.16 178.66 2x17 h GLU 92 N 0.41 0.90 -0.18 1.82 4.81 -1.39 -2.42 114.58 118.52 2x17 h GLU 92 Ca 0.05 -0.34 -0.14 0.00 -0.13 0.00 0.00 59.36 58.80 2x17 h GLU 92 Cb 0.73 -0.05 -0.01 0.00 0.63 0.00 0.00 28.75 30.05 2x17 h GLU 92 CO 0.06 0.99 -0.48 1.25 -0.73 0.00 0.00 179.01 180.09 2x17 h HIS 93 N 0.80 0.58 -0.14 0.92 2.76 -0.82 -2.19 115.15 117.06 2x17 h HIS 93 Ca 0.12 -0.19 -0.10 0.00 -2.20 0.00 0.00 60.37 58.00 2x17 h HIS 93 Cb 0.68 -0.12 -0.01 0.00 1.55 0.00 0.00 27.41 29.51 2x17 h HIS 93 CO 0.04 0.87 -0.37 0.93 -1.30 0.00 0.00 177.93 178.09 2x17 h GLU 94 N 0.38 0.30 0.00 5.26 4.39 -0.88 -0.69 114.58 123.34 2x17 h GLU 94 Ca 0.02 -0.13 -0.12 0.00 0.34 0.00 0.00 59.36 59.47 2x17 h GLU 94 Cb 0.98 -0.01 -0.02 0.00 -0.10 0.00 0.00 28.75 29.61 2x17 h GLU 94 CO 0.09 0.63 -0.59 0.87 -1.16 0.00 0.00 179.01 178.85 2x17 h LYS 95 N 0.25 0.00 -0.23 2.33 1.57 -1.35 -1.48 116.57 117.67 2x17 h LYS 95 Ca 0.03 0.00 -0.07 0.00 -1.87 0.00 0.00 60.65 58.74 2x17 h LYS 95 Cb 0.78 0.00 -0.01 0.00 0.08 0.00 0.00 32.23 33.08 2x17 h LYS 95 CO 0.06 0.59 -0.12 0.35 -0.57 0.00 0.00 179.45 179.76 2x17 h PHE 96 N 0.00 0.56 -0.26 -1.35 3.57 -0.89 -2.07 116.94 116.50 2x17 h PHE 96 Ca -0.01 -0.14 -0.03 0.00 3.53 0.00 0.00 57.97 61.32 2x17 h PHE 96 Cb 1.08 -0.13 -0.01 0.00 2.79 0.00 0.00 35.95 39.68 2x17 h PHE 96 CO 0.00 0.76 0.04 0.82 -2.23 0.00 0.00 178.31 177.70 2x17 h ILE 97 N 0.20 1.23 -1.00 1.41 1.08 -1.11 -2.23 117.51 117.08 2x17 h ILE 97 Ca 0.05 -0.77 0.08 0.00 -0.39 0.00 0.00 64.86 63.83 2x17 h ILE 97 Cb 0.62 1.24 -0.07 0.00 -3.07 0.00 0.00 36.82 35.53 2x17 h ILE 97 CO 0.03 0.25 0.64 0.28 -0.69 0.00 0.00 178.15 178.67 2x17 h SER 98 N 0.24 1.00 -0.50 1.72 0.02 -1.31 -1.14 113.55 113.59 2x17 h SER 98 Ca 0.08 0.02 -0.09 0.00 -0.84 0.00 0.00 61.79 60.96 2x17 h SER 98 Cb 0.33 -0.19 -0.02 0.00 0.14 0.00 0.00 62.40 62.66 2x17 h SER 98 CO 0.00 0.61 -0.03 0.50 -1.14 0.00 0.00 176.83 176.78 2x17 h LYS 99 N 1.12 0.90 0.00 3.45 3.64 -1.20 -0.74 116.57 123.74 2x17 h LYS 99 Ca 0.45 -0.30 -0.02 0.00 -1.27 0.00 0.00 60.65 59.51 2x17 h LYS 99 Cb 0.27 -0.07 -0.00 0.00 -0.41 0.00 0.00 32.23 32.01 2x17 h LYS 99 CO -0.20 0.94 -0.09 0.66 -2.27 0.00 0.00 179.45 178.49 2x17 h SER 100 N 0.76 0.00 -0.01 4.20 4.64 -0.88 -1.71 113.55 120.55 2x17 h SER 100 Ca 0.14 0.00 -0.17 0.00 -0.47 0.00 0.00 61.79 61.28 2x17 h SER 100 Cb 0.56 0.00 0.01 0.00 -0.31 0.00 0.00 62.40 62.66 2x17 h SER 100 CO 0.03 0.09 -0.67 0.40 -0.87 0.00 0.00 176.83 175.81 2x17 h ILE 101 N 0.00 1.40 -0.76 0.95 1.08 -0.83 -3.04 117.51 116.30 2x17 h ILE 101 Ca -0.00 -2.09 0.03 0.00 -0.39 0.00 0.00 64.86 62.41 2x17 h ILE 101 Cb 0.55 2.54 -0.05 0.00 -3.07 0.00 0.00 36.82 36.79 2x17 h ILE 101 CO 0.01 0.62 0.48 1.88 -0.69 0.00 0.00 178.15 180.45 2x17 h TYR 102 N -0.00 0.91 -0.39 1.37 0.05 -0.67 -1.72 116.97 116.52 2x17 h TYR 102 Ca -0.08 0.02 -0.12 0.00 0.05 0.00 0.00 58.73 58.60 2x17 h TYR 102 Cb 1.37 -0.30 -0.01 0.00 1.01 0.00 0.00 36.73 38.80 2x17 h TYR 102 CO 0.14 0.52 -0.24 0.93 -1.05 0.00 0.00 178.16 178.45 2x17 h GLU 103 N 0.94 0.78 -0.78 4.88 5.08 -1.44 -0.72 114.58 123.33 2x17 h GLU 103 Ca 0.31 -0.33 -0.04 0.00 -1.00 0.00 0.00 59.36 58.30 2x17 h GLU 103 Cb 0.01 -0.03 -0.04 0.00 0.50 0.00 0.00 28.75 29.20 2x17 h GLU 103 CO -0.11 0.94 0.34 -0.07 -1.00 0.00 0.00 179.01 179.11 2x17 h LEU 104 N 0.68 1.04 -0.82 1.33 3.38 -1.37 0.75 115.31 120.30 2x17 h LEU 104 Ca 0.09 -0.14 -0.11 0.00 0.09 0.00 0.00 57.88 57.81 2x17 h LEU 104 Cb 0.76 -0.27 -0.01 0.00 0.09 0.00 0.00 40.66 41.23 2x17 h LEU 104 CO 0.06 0.91 -0.33 0.00 0.09 0.00 0.00 178.44 179.17 2x17 h ALA 105 N 1.25 0.99 -0.27 1.53 0.00 -1.01 -1.50 119.26 120.24 2x17 h ALA 105 Ca 0.26 -0.39 -0.16 0.00 0.00 0.00 0.00 54.91 54.62 2x17 h ALA 105 Cb 0.17 -0.11 -0.01 0.00 0.00 0.00 0.00 17.79 17.84 2x17 h ALA 105 CO -0.03 0.60 -0.48 0.00 0.00 0.00 0.00 179.25 179.35 2x17 h ALA 106 N 1.22 0.64 -0.37 0.00 0.00 -0.79 -1.74 119.26 118.22 2x17 h ALA 106 Ca 0.05 -0.48 -0.08 0.00 0.00 0.00 0.00 54.91 54.40 2x17 h ALA 106 Cb 0.78 -0.10 -0.02 0.00 0.00 0.00 0.00 17.79 18.46 2x17 h ALA 106 CO 0.06 0.68 -0.11 1.25 0.00 0.00 0.00 179.25 181.13 2x17 h LEU 107 N 0.58 0.63 -0.30 0.00 5.85 -0.71 -1.99 115.31 119.37 2x17 h LEU 107 Ca 0.03 -0.17 -0.20 0.00 0.84 0.00 0.00 57.88 58.37 2x17 h LEU 107 Cb 1.04 -0.17 0.00 0.00 0.37 0.00 0.00 40.66 41.90 2x17 h LEU 107 CO 0.10 0.77 -0.78 0.00 -0.34 0.00 0.00 178.44 178.20 2x17 h ALA 108 N 1.29 0.48 -0.17 1.25 0.00 -1.18 -1.95 119.26 118.98 2x17 h ALA 108 Ca 0.11 -0.62 -0.13 0.00 0.00 0.00 0.00 54.91 54.27 2x17 h ALA 108 Cb 0.53 -0.04 -0.01 0.00 0.00 0.00 0.00 17.79 18.27 2x17 h ALA 108 CO 0.03 0.74 -0.44 0.93 0.00 0.00 0.00 179.25 180.52 2x17 h GLU 109 N 0.35 0.40 -0.09 0.00 5.08 -1.23 -0.43 114.58 118.66 2x17 h GLU 109 Ca -0.05 -0.21 -0.12 0.00 -1.00 0.00 0.00 59.36 57.99 2x17 h GLU 109 Cb 1.37 0.01 0.00 0.00 0.50 0.00 0.00 28.75 30.64 2x17 h GLU 109 CO 0.14 0.76 -0.40 1.49 -1.00 0.00 0.00 179.01 180.01 2x17 h GLU 110 N 0.33 0.43 0.00 2.33 4.81 -1.35 -3.16 114.58 117.96 2x17 h GLU 110 Ca 0.02 -0.34 0.00 0.00 -0.13 0.00 0.00 59.36 58.91 2x17 h GLU 110 Cb 0.90 0.07 0.00 0.00 0.63 0.00 0.00 28.75 30.35 2x17 h GLU 110 CO 0.08 0.97 0.00 0.39 -0.73 0.00 0.00 179.01 179.72 2x17 n GLU 111 N -4.34 0.48 -2.45 1.92 1.02 -0.74 -4.89 120.64 111.64 2x17 n GLU 111 Ca -0.08 0.04 -0.21 0.00 -0.02 0.00 0.00 57.16 56.89 2x17 n GLU 111 Cb 0.54 -1.50 -0.01 0.00 -0.02 0.00 0.00 31.44 30.45 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 -1.21 -1.97 -2.91 3.49 5.02 -0.81 -4.94 118.16 114.84 2x17 n LYS 112 Ca 0.14 0.98 -0.44 0.00 -2.02 0.00 0.00 58.31 56.97 2x17 n LYS 112 Cb 0.17 -5.66 -0.01 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 -2.10 6.84 0.40 4.39 2.15 -0.24 -4.86 116.67 123.24 2x17 s ASP 113 Ca 0.03 -2.48 0.09 0.00 0.43 0.00 0.00 52.55 50.62 2x17 s ASP 113 Cb -0.01 -2.41 0.81 0.00 -0.30 0.00 0.00 42.92 41.01 2x17 s ASP 113 CO 0.03 -0.94 1.94 1.88 -0.17 0.00 0.00 175.17 177.92 2x17 h TYR 114 N 8.04 0.27 -0.49 -5.34 -1.99 -1.92 -2.69 116.97 112.85 2x17 h TYR 114 Ca 0.24 -0.02 -0.02 0.00 2.00 0.00 0.00 58.73 60.93 2x17 h TYR 114 Cb 0.95 -0.08 -0.02 0.00 2.00 0.00 0.00 36.73 39.58 2x17 h TYR 114 CO 1.15 0.35 0.22 0.77 -0.00 0.00 0.00 178.16 180.65 2x17 h SER 115 N 0.25 0.65 -0.07 3.88 0.02 -1.96 -0.03 113.55 116.31 2x17 h SER 115 Ca 0.06 -0.14 -0.18 0.00 -0.84 0.00 0.00 61.79 60.68 2x17 h SER 115 Cb 0.31 -0.17 -0.00 0.00 0.14 0.00 0.00 62.40 62.68 2x17 h SER 115 CO 0.01 0.61 -0.60 0.74 -1.14 0.00 0.00 176.83 176.45 2x17 h THR 116 N 0.65 1.31 -0.74 -2.27 2.02 -1.92 -1.37 112.91 110.59 2x17 h THR 116 Ca 0.17 -1.84 -0.05 0.00 0.77 0.00 0.00 66.41 65.45 2x17 h THR 116 Cb 0.14 1.80 -0.03 0.00 -1.74 0.00 0.00 68.15 68.32 2x17 h THR 116 CO -0.02 0.58 0.25 -0.09 0.37 0.00 0.00 175.52 176.61 2x17 h ARG 117 N 0.50 1.13 -0.05 6.66 9.65 -1.36 -0.44 114.38 130.47 2x17 h ARG 117 Ca -0.00 -0.23 -0.11 0.00 -1.10 0.00 0.00 59.98 58.53 2x17 h ARG 117 Cb 1.18 -0.17 -0.01 0.00 -1.39 0.00 0.00 29.97 29.58 2x17 h ARG 117 CO 0.12 0.95 -0.47 0.00 2.80 0.00 0.00 179.97 183.38 2x17 h ALA 118 N 1.12 1.12 -0.38 2.80 0.00 -0.94 -2.98 119.26 120.02 2x17 h ALA 118 Ca 0.24 -0.44 -0.16 0.00 0.00 0.00 0.00 54.91 54.55 2x17 h ALA 118 Cb 0.28 -0.08 -0.01 0.00 0.00 0.00 0.00 17.79 17.98 2x17 h ALA 118 CO -0.01 0.61 -0.39 0.35 0.00 0.00 0.00 179.25 179.81 2x17 h PHE 119 N 0.10 1.12 0.00 0.00 3.57 -0.84 -3.21 116.94 117.69 2x17 h PHE 119 Ca 0.00 -0.34 0.00 0.00 3.53 0.00 0.00 57.97 61.16 2x17 h PHE 119 Cb 0.87 -0.23 0.00 0.00 2.79 0.00 0.00 35.95 39.37 2x17 h PHE 119 CO 0.01 1.17 0.00 -0.07 -2.23 0.00 0.00 178.31 177.19 2x17 h LEU 120 N 0.75 0.00 -1.77 0.59 3.38 -1.01 -3.16 115.31 114.09 2x17 h LEU 120 Ca 0.06 0.00 0.09 0.00 0.09 0.00 0.00 57.88 58.11 2x17 h LEU 120 Cb 0.99 0.00 -0.03 0.00 0.09 0.00 0.00 40.66 41.72 2x17 h LEU 120 CO 0.10 0.00 0.32 -0.08 0.09 0.00 0.00 178.44 178.87 2x17 h GLU 121 N 0.00 0.27 -0.49 1.13 4.57 -1.52 -0.87 114.58 117.66 2x17 h GLU 121 Ca 0.00 -0.02 -0.07 0.00 -1.18 0.00 0.00 59.36 58.09 2x17 h GLU 121 Cb 0.59 -0.06 -0.02 0.00 -0.16 0.00 0.00 28.75 29.10 2x17 h GLU 121 CO 0.00 0.18 0.02 2.35 -1.18 0.00 0.00 179.01 180.38 2x17 h TRP 122 N 0.27 0.84 0.00 0.92 7.01 -1.75 -2.93 115.95 120.32 2x17 h TRP 122 Ca 0.22 -0.11 -0.20 0.00 2.11 0.00 0.00 58.89 60.91 2x17 h TRP 122 Cb 0.50 -0.23 -0.03 0.00 -2.10 0.00 0.00 29.16 27.30 2x17 h TRP 122 CO -0.00 0.77 -0.94 0.74 -2.79 0.00 0.00 178.44 176.22 2x17 h PHE 123 N 0.75 0.00 -0.21 2.65 0.04 -1.38 -1.76 116.94 117.02 2x17 h PHE 123 Ca 0.15 0.00 -0.02 0.00 2.80 0.00 0.00 57.97 60.90 2x17 h PHE 123 Cb 0.43 0.00 -0.01 0.00 2.20 0.00 0.00 35.95 38.57 2x17 h PHE 123 CO 0.02 0.94 0.07 0.82 -0.60 0.00 0.00 178.31 179.56 2x17 h ILE 124 N 0.00 1.18 0.00 -0.55 2.04 -1.39 -0.83 117.51 117.96 2x17 h ILE 124 Ca -0.01 -0.56 -0.09 0.00 1.00 0.00 0.00 64.86 65.20 2x17 h ILE 124 Cb 1.72 1.16 -0.01 0.00 -0.74 0.00 0.00 36.82 38.94 2x17 h ILE 124 CO 0.12 0.18 -0.44 0.78 0.00 0.00 0.00 178.15 178.79 2x17 h ASN 125 N 0.17 0.00 -0.18 1.72 2.35 -1.54 -3.12 115.58 114.98 2x17 h ASN 125 Ca 0.07 0.00 -0.11 0.00 -0.55 0.00 0.00 56.30 55.71 2x17 h ASN 125 Cb 0.21 0.00 0.00 0.00 0.05 0.00 0.00 38.32 38.58 2x17 h ASN 125 CO -0.00 0.44 -0.33 -0.08 -1.65 0.00 0.00 177.43 175.81 2x17 h GLU 126 N 0.00 0.53 0.00 0.81 4.22 -1.15 -3.26 114.58 115.73 2x17 h GLU 126 Ca -0.00 -0.34 -0.03 0.00 0.08 0.00 0.00 59.36 59.07 2x17 h GLU 126 Cb 0.78 0.04 -0.00 0.00 0.50 0.00 0.00 28.75 30.07 2x17 h GLU 126 CO 0.06 0.94 -0.16 1.96 -2.18 0.00 0.00 179.01 179.63 2x17 h GLN 127 N 0.19 0.00 -0.37 1.92 1.08 -1.13 -0.70 115.11 116.10 2x17 h GLN 127 Ca 0.01 0.00 -0.06 0.00 -1.45 0.00 0.00 58.65 57.15 2x17 h GLN 127 Cb 0.92 0.00 -0.01 0.00 -0.05 0.00 0.00 27.48 28.33 2x17 h GLN 127 CO 0.07 0.16 0.01 0.28 -0.95 0.00 0.00 178.83 178.40 2x17 h VAL 128 N 0.00 1.26 -0.45 -0.54 2.07 -1.59 0.87 116.25 117.88 2x17 h VAL 128 Ca -0.00 -0.97 -0.05 0.00 0.82 0.00 0.00 66.70 66.50 2x17 h VAL 128 Cb 0.53 1.16 -0.02 0.00 -1.52 0.00 0.00 31.29 31.44 2x17 h VAL 128 CO 0.02 0.32 0.07 -0.33 0.02 0.00 0.00 177.57 177.67 2x17 h GLU 129 N 0.46 0.74 -0.39 1.57 5.08 -1.50 -2.58 114.58 117.95 2x17 h GLU 129 Ca 0.10 -0.20 -0.01 0.00 -1.00 0.00 0.00 59.36 58.25 2x17 h GLU 129 Cb 0.45 -0.09 -0.02 0.00 0.50 0.00 0.00 28.75 29.59 2x17 h GLU 129 CO 0.02 0.77 0.19 1.49 -1.00 0.00 0.00 179.01 180.48 2x17 h GLU 130 N 0.60 0.57 -0.12 2.33 4.57 -1.00 -0.44 114.58 121.08 2x17 h GLU 130 Ca 0.13 -0.08 -0.02 0.00 -1.18 0.00 0.00 59.36 58.21 2x17 h GLU 130 Cb 0.39 -0.10 -0.00 0.00 -0.16 0.00 0.00 28.75 28.87 2x17 h GLU 130 CO 0.01 0.49 -0.02 0.93 -1.18 0.00 0.00 179.01 179.24 2x17 h GLU 131 N 0.50 0.23 -0.25 1.92 5.08 -0.87 -2.74 114.58 118.45 2x17 h GLU 131 Ca 0.14 -0.08 -0.02 0.00 -1.00 0.00 0.00 59.36 58.39 2x17 h GLU 131 Cb 0.11 -0.02 -0.01 0.00 0.50 0.00 0.00 28.75 29.33 2x17 h GLU 131 CO -0.02 0.51 0.06 0.00 -1.00 0.00 0.00 179.01 178.56 2x17 h ALA 132 N 0.72 1.65 -0.59 3.43 0.00 -1.41 0.68 119.26 123.73 2x17 h ALA 132 Ca 0.03 -0.10 -0.09 0.00 0.00 0.00 0.00 54.91 54.75 2x17 h ALA 132 Cb 0.41 -0.11 -0.02 0.00 0.00 0.00 0.00 17.79 18.07 2x17 h ALA 132 CO 0.01 0.27 0.01 1.03 0.00 0.00 0.00 179.25 180.58 2x17 h SER 133 N 0.35 0.99 0.19 0.00 0.87 -1.00 -2.01 113.55 112.93 2x17 h SER 133 Ca 0.09 -0.27 -0.29 0.00 -1.23 0.00 0.00 61.79 60.08 2x17 h SER 133 Cb 0.14 -0.27 0.03 0.00 -0.44 0.00 0.00 62.40 61.87 2x17 h SER 133 CO -0.00 1.04 -1.26 0.58 -0.53 0.00 0.00 176.83 176.66 2x17 h VAL 134 N 0.94 1.33 -0.52 2.23 2.07 -1.11 -3.31 116.25 117.87 2x17 h VAL 134 Ca 0.17 -2.57 -0.04 0.00 0.82 0.00 0.00 66.70 65.09 2x17 h VAL 134 Cb 0.52 2.95 -0.03 0.00 -1.52 0.00 0.00 31.29 33.22 2x17 h VAL 134 CO 0.03 0.77 0.18 0.50 0.02 0.00 0.00 177.57 179.06 2x17 h LYS 135 N 0.08 0.77 -0.49 1.57 1.63 -0.89 -1.14 116.57 118.10 2x17 h LYS 135 Ca -0.21 -0.13 0.00 0.00 -0.85 0.00 0.00 60.65 59.47 2x17 h LYS 135 Cb 1.97 -0.13 -0.02 0.00 -0.60 0.00 0.00 32.23 33.44 2x17 h LYS 135 CO 0.24 0.65 0.32 -0.22 -3.45 0.00 0.00 179.45 176.99 2x17 h LYS 136 N 0.75 0.65 -0.10 1.90 3.64 -1.47 -1.45 116.57 120.49 2x17 h LYS 136 Ca 0.18 -0.04 -0.20 0.00 -1.27 0.00 0.00 60.65 59.31 2x17 h LYS 136 Cb 0.20 -0.15 0.00 0.00 -0.41 0.00 0.00 32.23 31.87 2x17 h LYS 136 CO -0.01 0.44 -0.75 0.82 -2.27 0.00 0.00 179.45 177.68 2x17 h ILE 137 N 0.67 1.34 -0.25 2.00 2.04 -1.59 -2.99 117.51 118.73 2x17 h ILE 137 Ca 0.18 -2.09 0.03 0.00 1.00 0.00 0.00 64.86 63.99 2x17 h ILE 137 Cb -0.06 2.07 -0.03 0.00 -0.74 0.00 0.00 36.82 38.05 2x17 h ILE 137 CO -0.04 0.64 0.04 0.25 0.00 0.00 0.00 178.15 179.04 2x17 h LEU 138 N 0.37 -0.00 -1.43 1.44 6.46 -0.98 -1.77 115.31 119.39 2x17 h LEU 138 Ca -0.04 0.04 -0.04 0.00 -0.12 0.00 0.00 57.88 57.72 2x17 h LEU 138 Cb 1.35 0.06 -0.01 0.00 -0.73 0.00 0.00 40.66 41.32 2x17 h LEU 138 CO 0.14 0.03 -0.05 0.44 -0.62 0.00 0.00 178.44 178.38 2x17 h ASP 139 N 0.13 0.28 0.77 1.25 3.32 -1.30 -1.76 116.42 119.12 2x17 h ASP 139 Ca 0.11 -0.05 -0.06 0.00 0.02 0.00 0.00 57.03 57.05 2x17 h ASP 139 Cb 0.12 -0.07 -0.01 0.00 0.22 0.00 0.00 39.33 39.58 2x17 h ASP 139 CO -0.15 0.38 -0.30 0.11 -1.72 0.00 0.00 179.24 177.56 2x17 h LYS 140 N 0.30 0.00 0.01 3.56 1.57 -1.27 -0.57 116.57 120.16 2x17 h LYS 140 Ca 0.07 0.00 -0.22 0.00 -1.87 0.00 0.00 60.65 58.63 2x17 h LYS 140 Cb 0.29 0.00 -0.03 0.00 0.08 0.00 0.00 32.23 32.57 2x17 h LYS 140 CO 0.01 0.30 -1.07 -0.07 -0.57 0.00 0.00 179.45 178.05 2x17 h LEU 141 N 0.00 0.02 -0.84 2.94 3.38 -0.51 -2.73 115.31 117.57 2x17 h LEU 141 Ca -0.00 -0.02 -0.12 0.00 0.09 0.00 0.00 57.88 57.83 2x17 h LEU 141 Cb 0.77 -0.01 -0.01 0.00 0.09 0.00 0.00 40.66 41.50 2x17 h LEU 141 CO 0.04 1.02 -0.49 0.11 0.09 0.00 0.00 178.44 179.20 2x17 h LYS 142 N 0.00 0.21 0.00 1.13 1.57 -1.18 -2.95 116.57 115.35 2x17 h LYS 142 Ca -0.04 -0.11 -0.01 0.00 -1.87 0.00 0.00 60.65 58.61 2x17 h LYS 142 Cb 1.80 0.01 -0.00 0.00 0.08 0.00 0.00 32.23 34.12 2x17 h LYS 142 CO 0.13 0.66 -0.05 0.35 -0.57 0.00 0.00 179.45 179.96 2x17 h PHE 143 N 0.17 0.00 -2.14 -1.35 3.57 -1.03 -3.31 116.94 112.85 2x17 h PHE 143 Ca 0.01 0.00 -0.57 0.00 3.53 0.00 0.00 57.97 60.94 2x17 h PHE 143 Cb 0.93 0.00 -0.41 0.00 2.79 0.00 0.00 35.95 39.26 2x17 h PHE 143 CO 0.01 0.05 -0.83 0.00 -2.23 0.00 0.00 178.31 175.32 2x17 n ALA 144 N -2.13 3.49 0.19 2.41 0.00 -1.04 -4.97 120.51 118.45 2x17 n ALA 144 Ca 0.00 -4.21 -0.08 0.00 0.00 0.00 0.00 53.44 49.16 2x17 n ALA 144 Cb 0.31 -0.84 -0.04 0.00 0.00 0.00 0.00 19.45 18.88 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 3.66 -0.48 -0.63 0.00 1.57 -1.66 -3.35 116.57 115.69 2x17 h LYS 145 Ca 0.14 0.03 0.00 0.00 -1.87 0.00 0.00 60.65 58.95 2x17 h LYS 145 Cb 0.73 0.11 0.00 0.00 0.08 0.00 0.00 32.23 33.14 2x17 h LYS 145 CO 0.69 -0.32 0.00 -0.25 -0.57 0.00 0.00 179.45 179.00 2x17 n ASP 146 N -3.84 4.60 -4.41 0.86 8.00 -1.26 -4.91 116.55 115.59 2x17 n ASP 146 Ca -0.06 -2.41 -0.39 0.00 0.71 0.00 0.00 54.79 52.63 2x17 n ASP 146 Cb 0.20 -0.56 -0.12 0.00 -0.02 0.00 0.00 41.12 40.62 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 -0.97 5.58 0.07 -2.24 0.15 -1.26 -4.94 113.70 110.10 2x17 s SER 147 Ca 0.50 -0.70 0.27 0.00 0.70 0.00 0.00 55.95 56.72 2x17 s SER 147 Cb 0.32 -2.00 0.93 0.00 -1.71 0.00 0.00 66.02 63.55 2x17 s SER 147 CO 0.24 -0.26 1.76 -2.65 1.20 0.00 0.00 173.24 173.53 2x17 n PRO 148 N 4.98 0.10 -0.04 5.44 -0.02 -1.26 -3.42 135.00 140.78 2x17 n PRO 148 Ca -0.13 0.07 -0.14 0.00 -2.02 0.00 0.00 63.50 61.28 2x17 n PRO 148 Cb 0.48 -1.60 -0.09 0.00 -0.02 0.00 0.00 33.50 32.27 2x17 n PRO 148 CO 0.00 0.00 0.00 1.96 1.98 0.00 0.00 175.50 179.44 2x17 h GLN 149 N 0.00 0.28 -0.00 -0.52 7.50 -1.98 -2.57 115.11 117.82 2x17 h GLN 149 Ca 0.00 -0.19 -0.16 0.00 0.50 0.00 0.00 58.65 58.79 2x17 h GLN 149 Cb 0.59 0.03 -0.02 0.00 0.05 0.00 0.00 27.48 28.13 2x17 h GLN 149 CO 0.00 0.80 -0.77 0.82 -1.50 0.00 0.00 178.83 178.18 2x17 h ILE 150 N -0.19 1.53 -0.47 2.54 2.04 -1.96 -2.60 117.51 118.39 2x17 h ILE 150 Ca -0.00 -2.56 -0.05 0.00 1.00 0.00 0.00 64.86 63.25 2x17 h ILE 150 Cb 0.80 2.39 -0.02 0.00 -0.74 0.00 0.00 36.82 39.24 2x17 h ILE 150 CO 0.04 0.73 0.08 0.25 0.00 0.00 0.00 178.15 179.26 2x17 h LEU 151 N 0.03 0.69 -0.32 1.44 5.85 -1.61 0.59 115.31 121.97 2x17 h LEU 151 Ca -0.01 -0.13 -0.15 0.00 0.84 0.00 0.00 57.88 58.42 2x17 h LEU 151 Cb 1.35 -0.18 -0.00 0.00 0.37 0.00 0.00 40.66 42.20 2x17 h LEU 151 CO 0.10 0.71 -0.40 0.15 -0.34 0.00 0.00 178.44 178.66 2x17 h PHE 152 N 0.71 1.03 0.00 1.25 3.57 -1.33 -2.55 116.94 119.61 2x17 h PHE 152 Ca 0.15 -0.33 -0.12 0.00 3.53 0.00 0.00 57.97 61.21 2x17 h PHE 152 Cb 0.32 -0.21 -0.02 0.00 2.79 0.00 0.00 35.95 38.84 2x17 h PHE 152 CO 0.02 1.13 -0.56 0.52 -2.23 0.00 0.00 178.31 177.19 2x17 h MET 153 N 0.63 0.00 -0.07 1.11 2.86 -1.23 -2.88 114.93 115.35 2x17 h MET 153 Ca 0.04 0.00 -0.13 0.00 -2.06 0.00 0.00 59.70 57.55 2x17 h MET 153 Cb 0.99 0.00 -0.01 0.00 0.06 0.00 0.00 31.60 32.64 2x17 h MET 153 CO 0.10 0.56 -0.54 -0.07 1.06 0.00 0.00 176.91 178.01 2x17 h LEU 154 N 0.00 0.23 -0.95 1.22 3.38 -0.89 -2.77 115.31 115.52 2x17 h LEU 154 Ca -0.01 -0.12 -0.05 0.00 0.09 0.00 0.00 57.88 57.79 2x17 h LEU 154 Cb 1.07 -0.06 -0.03 0.00 0.09 0.00 0.00 40.66 41.72 2x17 h LEU 154 CO 0.07 0.73 0.17 -0.78 0.09 0.00 0.00 178.44 178.71 2x17 h ASP 155 N 0.16 0.87 0.18 -0.43 3.58 -1.24 -2.22 116.42 117.31 2x17 h ASP 155 Ca 0.00 -0.16 -0.19 0.00 0.42 0.00 0.00 57.03 57.10 2x17 h ASP 155 Cb 1.01 -0.23 -0.00 0.00 1.72 0.00 0.00 39.33 41.83 2x17 h ASP 155 CO 0.08 0.83 -0.74 0.50 -2.88 0.00 0.00 179.24 177.03 2x17 h LYS 156 N 0.89 0.48 -0.71 0.28 3.64 -1.50 -2.71 116.57 116.95 2x17 h LYS 156 Ca 0.20 -0.40 -0.02 0.00 -1.27 0.00 0.00 60.65 59.16 2x17 h LYS 156 Cb 0.29 0.08 -0.03 0.00 -0.41 0.00 0.00 32.23 32.16 2x17 h LYS 156 CO -0.00 1.03 0.35 0.93 -2.27 0.00 0.00 179.45 179.48 2x17 h GLU 157 N 0.33 1.02 0.00 1.90 5.08 -1.27 -2.94 114.58 118.70 2x17 h GLU 157 Ca -0.04 -0.15 0.00 0.00 -1.00 0.00 0.00 59.36 58.18 2x17 h GLU 157 Cb 1.33 -0.18 0.00 0.00 0.50 0.00 0.00 28.75 30.40 2x17 h GLU 157 CO 0.13 0.79 -0.07 -0.07 -1.00 0.00 0.00 179.01 178.79 2x17 h LEU 158 N 0.99 0.00 -1.84 1.33 3.38 -1.44 -3.23 115.31 114.50 2x17 h LEU 158 Ca 0.24 -0.01 0.00 0.00 0.09 0.00 0.00 57.88 58.21 2x17 h LEU 158 Cb 0.11 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.86 2x17 h LEU 158 CO -0.03 0.00 0.00 0.77 0.09 0.00 0.00 178.44 179.27 2x17 h SER 159 N 0.00 0.00 -0.81 -0.43 4.64 -1.28 -2.48 113.55 113.19 2x17 h SER 159 Ca 0.00 0.00 0.05 0.00 -0.47 0.00 0.00 61.79 61.37 2x17 h SER 159 Cb 0.91 0.00 -0.05 0.00 -0.31 0.00 0.00 62.40 62.95 2x17 h SER 159 CO 0.00 0.00 0.53 0.00 -0.87 0.00 0.00 176.83 176.49 2x17 h ALA 160 N 2.03 1.58 -2.31 5.18 0.00 -1.65 -3.39 119.26 120.71 2x17 h ALA 160 Ca 0.00 -0.03 -0.60 0.00 0.00 0.00 0.00 54.91 54.29 2x17 h ALA 160 Cb 0.31 -0.25 -0.09 0.00 0.00 0.00 0.00 17.79 17.76 2x17 h ALA 160 CO 0.00 0.31 0.43 0.50 0.00 0.00 0.00 179.25 180.49 2x17 s ARG 161 N -5.80 4.17 0.10 0.00 3.52 -0.93 -5.05 118.95 114.95 2x17 s ARG 161 Ca -0.11 0.89 0.07 0.00 -0.13 0.00 0.00 55.73 56.45 2x17 s ARG 161 Cb 0.19 -3.65 -0.03 0.00 -1.56 0.00 0.00 34.95 29.90 2x17 s ARG 161 CO 0.79 -0.51 -0.17 0.00 -0.81 0.00 0.00 175.30 174.60 2x17 s ALA 162 N 2.80 1.53 0.46 6.12 0.00 -1.26 -3.76 121.76 127.65 2x17 s ALA 162 Ca 0.34 -1.17 -0.24 0.00 0.00 0.00 0.00 51.96 50.88 2x17 s ALA 162 Cb -0.15 -0.16 -0.07 0.00 0.00 0.00 0.00 23.12 22.73 2x17 s ALA 162 CO 0.07 0.24 1.34 -1.25 0.00 0.00 0.00 175.76 176.16 2x17 s PRO 163 N -2.01 3.65 -0.12 0.00 0.04 -1.26 -4.77 135.00 130.54 2x17 s PRO 163 Ca 0.04 2.21 0.18 0.00 0.04 0.00 0.00 61.00 63.48 2x17 s PRO 163 Cb -0.09 -2.56 -0.26 0.00 0.04 0.00 0.00 34.50 31.63 2x17 s PRO 163 CO 0.03 -0.77 0.30 1.63 0.04 0.00 0.00 177.00 178.23 2x17 n LYS 164 N -0.33 0.67 -0.03 4.56 5.02 -1.26 -4.59 118.16 122.20 2x17 n LYS 164 Ca 0.06 -0.01 -0.13 0.00 -2.02 0.00 0.00 58.31 56.22 2x17 n LYS 164 Cb 0.44 -1.57 -0.08 0.00 -0.02 0.00 0.00 35.03 33.80 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 0.15 -1.03 -0.35 5.85 -1.98 -3.34 115.31 114.60 2x17 h LEU 165 Ca -0.36 -0.38 0.27 0.00 0.84 0.00 0.00 57.88 58.25 2x17 h LEU 165 Cb 1.86 -0.04 -0.13 0.00 0.37 0.00 0.00 40.66 42.72 2x17 h LEU 165 CO 0.03 0.50 0.60 -0.65 -0.34 0.00 0.00 178.44 178.58 2x17 h PRO 166 N -0.20 0.47 0.00 5.25 0.11 -1.99 0.38 132.00 136.02 2x17 h PRO 166 Ca 0.02 -0.03 0.00 0.00 0.11 0.00 0.00 66.00 66.10 2x17 h PRO 166 Cb 0.44 -0.11 0.00 0.00 0.11 0.00 0.00 31.00 31.44 2x17 h PRO 166 CO 0.01 0.31 0.00 0.41 -0.21 0.00 0.00 178.00 178.52 2x17 n GLY 167 N -1.32 -0.92 0.01 -0.55 0.00 -1.25 -3.53 105.19 97.63 2x17 n GLY 167 Ca 0.28 -0.02 0.00 0.00 0.00 0.00 0.00 46.02 46.28 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 -4.79 0.99 4.77 0.12 -5.08 117.00 112.45 2x17 n LEU 168 Ca 0.03 0.00 -0.30 0.00 -0.03 0.00 0.00 56.01 55.71 2x17 n LEU 168 Cb 0.01 0.03 0.11 0.00 -2.33 0.00 0.00 43.42 41.24 2x17 n LEU 168 CO 0.02 0.03 0.71 -0.76 -1.33 0.00 0.00 177.39 176.05 2x17 s LEU 169 N -3.66 2.35 -0.66 2.23 2.01 -1.21 -4.40 118.68 115.34 2x17 s LEU 169 Ca -0.01 1.21 -0.08 0.00 0.01 0.00 0.00 54.13 55.26 2x17 s LEU 169 Cb 0.01 -3.70 0.01 0.00 0.01 0.00 0.00 46.19 42.52 2x17 s LEU 169 CO 0.09 -2.25 0.55 0.80 1.01 0.00 0.00 176.35 176.54 2x17 n MET 170 N -3.60 -1.45 0.00 1.70 1.56 -1.26 -5.09 117.12 108.97 2x17 n MET 170 Ca 0.07 0.79 0.15 0.00 -0.27 0.00 0.00 57.70 58.44 2x17 n MET 170 Cb 0.57 -1.92 0.69 0.00 2.15 0.00 0.00 33.22 34.71 2x17 n MET 170 CO 0.00 0.00 0.00 0.94 -0.73 0.00 0.00 175.97 176.18