#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1xi6 h LEU 3 N 0.00 0.34 -1.14 -0.35 3.38 -2.00 -3.20 115.31 112.34 1xi6 h LEU 3 Ca 0.00 -0.38 0.44 0.00 0.09 0.00 0.00 57.88 58.03 1xi6 h LEU 3 Cb 0.00 -0.09 -0.16 0.00 0.09 0.00 0.00 40.66 40.49 1xi6 h LEU 3 CO 0.00 0.64 0.67 1.17 0.09 0.00 0.00 178.44 181.01 1xi6 n LYS 4 N -4.65 -0.05 -0.02 1.13 3.00 -1.26 0.03 118.16 116.33 1xi6 n LYS 4 Ca -0.05 1.33 -0.13 0.00 -0.00 0.00 0.00 58.31 59.46 1xi6 n LYS 4 Cb 0.28 -2.47 -0.09 0.00 0.00 0.00 0.00 35.03 32.74 1xi6 n LYS 4 CO 0.00 0.00 0.00 0.35 0.00 0.00 0.00 177.40 177.75 1xi6 h PHE 5 N 0.00 0.11 -0.30 5.64 3.04 -2.00 -2.92 116.94 120.51 1xi6 h PHE 5 Ca 0.86 -0.03 -0.17 0.00 3.98 0.00 0.00 57.97 62.61 1xi6 h PHE 5 Cb 2.46 -0.02 -0.00 0.00 2.56 0.00 0.00 35.95 40.95 1xi6 h PHE 5 CO -0.01 0.54 -0.48 -1.49 -2.02 0.00 0.00 178.31 174.84 1xi6 h TRP 6 N -0.35 1.03 -0.45 0.41 4.06 -0.43 -2.59 115.95 117.63 1xi6 h TRP 6 Ca 0.01 -0.34 0.08 0.00 2.06 0.00 0.00 58.89 60.70 1xi6 h TRP 6 Cb 0.52 -0.20 -0.07 0.00 -1.00 0.00 0.00 29.16 28.40 1xi6 h TRP 6 CO 0.09 1.15 -0.00 -0.09 -3.56 0.00 0.00 178.44 176.03 1xi6 h ARG 7 N 0.66 0.11 -0.85 0.49 2.43 -0.70 -1.43 114.38 115.08 1xi6 h ARG 7 Ca 0.03 -0.01 -0.01 0.00 -0.81 0.00 0.00 59.98 59.18 1xi6 h ARG 7 Cb 1.07 -0.02 -0.04 0.00 -0.42 0.00 0.00 29.97 30.56 1xi6 h ARG 7 CO 0.11 0.07 0.49 0.93 -1.51 0.00 0.00 179.97 180.06 1xi6 h GLU 8 N 0.11 1.16 -0.37 0.20 5.08 -1.29 -1.02 114.58 118.46 1xi6 h GLU 8 Ca 0.22 -0.12 -0.06 0.00 -1.00 0.00 0.00 59.36 58.41 1xi6 h GLU 8 Cb 0.33 -0.24 -0.01 0.00 0.50 0.00 0.00 28.75 29.32 1xi6 h GLU 8 CO -0.37 0.83 -0.00 0.28 -1.00 0.00 0.00 179.01 178.75 1xi6 h VAL 9 N 1.18 1.26 -0.12 3.13 2.07 -1.08 -2.12 116.25 120.56 1xi6 h VAL 9 Ca 0.30 -0.99 0.01 0.00 0.82 0.00 0.00 66.70 66.84 1xi6 h VAL 9 Cb -0.02 1.17 -0.01 0.00 -1.52 0.00 0.00 31.29 30.91 1xi6 h VAL 9 CO -0.05 0.33 0.05 0.00 0.02 0.00 0.00 177.57 177.92 1xi6 h ALA 10 N 0.87 0.13 -0.78 1.67 0.00 -0.77 -1.22 119.26 119.16 1xi6 h ALA 10 Ca 0.10 0.01 0.06 0.00 0.00 0.00 0.00 54.91 55.08 1xi6 h ALA 10 Cb 0.47 -0.01 -0.05 0.00 0.00 0.00 0.00 17.79 18.20 1xi6 h ALA 10 CO 0.02 -0.40 0.51 0.82 0.00 0.00 0.00 179.25 180.20 1xi6 h ILE 11 N 0.11 1.05 -0.54 0.00 2.04 -1.14 0.11 117.51 119.15 1xi6 h ILE 11 Ca 0.05 -0.30 -0.06 0.00 1.00 0.00 0.00 64.86 65.55 1xi6 h ILE 11 Cb 0.02 0.11 -0.02 0.00 -0.74 0.00 0.00 36.82 36.19 1xi6 h ILE 11 CO -0.04 0.16 0.09 0.44 0.00 0.00 0.00 178.15 178.80 1xi6 h ASP 12 N 0.87 0.85 -0.22 1.72 3.45 -1.02 -0.70 116.42 121.37 1xi6 h ASP 12 Ca 0.33 -0.26 -0.04 0.00 0.43 0.00 0.00 57.03 57.49 1xi6 h ASP 12 Cb 0.20 -0.23 -0.01 0.00 -0.56 0.00 0.00 39.33 38.74 1xi6 h ASP 12 CO -0.11 0.89 -0.03 0.40 -1.57 0.00 0.00 179.24 178.82 1xi6 h ILE 13 N 0.78 1.27 -0.08 0.35 2.04 -0.35 -1.73 117.51 119.79 1xi6 h ILE 13 Ca 0.16 -0.98 0.03 0.00 1.00 0.00 0.00 64.86 65.08 1xi6 h ILE 13 Cb 0.40 1.48 -0.04 0.00 -0.74 0.00 0.00 36.82 37.92 1xi6 h ILE 13 CO 0.01 0.30 -0.12 0.40 0.00 0.00 0.00 178.15 178.74 1xi6 h ILE 14 N 0.15 0.67 -0.49 -0.67 2.04 -0.75 0.13 117.51 118.59 1xi6 h ILE 14 Ca 0.06 0.00 0.08 0.00 1.00 0.00 0.00 64.86 66.00 1xi6 h ILE 14 Cb 0.46 0.67 -0.07 0.00 -0.74 0.00 0.00 36.82 37.14 1xi6 h ILE 14 CO 0.02 0.00 0.08 -1.28 0.00 0.00 0.00 178.15 176.97 1xi6 h SER 15 N -0.17 -0.04 -0.67 1.72 0.87 -1.11 0.72 113.55 114.87 1xi6 h SER 15 Ca 0.07 0.09 0.02 0.00 -1.23 0.00 0.00 61.79 60.74 1xi6 h SER 15 Cb 0.27 0.14 -0.04 0.00 -0.44 0.00 0.00 62.40 62.33 1xi6 h SER 15 CO -0.18 0.01 0.43 0.44 -0.53 0.00 0.00 176.83 177.00 1xi6 h ASP 16 N 0.21 0.73 -0.10 6.23 5.19 -0.93 -2.87 116.42 124.87 1xi6 h ASP 16 Ca 0.24 -0.01 -0.08 0.00 -0.62 0.00 0.00 57.03 56.57 1xi6 h ASP 16 Cb 0.33 -0.17 -0.02 0.00 0.18 0.00 0.00 39.33 39.66 1xi6 h ASP 16 CO -0.33 0.52 -0.16 0.15 -3.12 0.00 0.00 179.24 176.29 1xi6 h PHE 17 N 0.86 0.51 -0.35 4.55 3.57 0.22 -0.68 116.94 125.62 1xi6 h PHE 17 Ca 0.26 -0.08 -0.13 0.00 3.53 0.00 0.00 57.97 61.55 1xi6 h PHE 17 Cb -0.04 -0.13 -0.01 0.00 2.79 0.00 0.00 35.95 38.55 1xi6 h PHE 17 CO -0.04 0.61 -0.29 0.93 -2.23 0.00 0.00 178.31 177.29 1xi6 h GLU 18 N 0.43 0.75 0.05 1.11 4.39 -0.69 -1.41 114.58 119.21 1xi6 h GLU 18 Ca 0.08 -0.34 -0.30 0.00 0.34 0.00 0.00 59.36 59.14 1xi6 h GLU 18 Cb 0.53 -0.02 -0.03 0.00 -0.10 0.00 0.00 28.75 29.13 1xi6 h GLU 18 CO 0.03 0.95 -1.64 1.79 -1.16 0.00 0.00 179.01 178.98 1xi6 h THR 19 N 0.64 0.98 0.00 1.13 1.35 -1.36 -3.35 112.91 112.29 1xi6 h THR 19 Ca 0.08 -2.74 -0.34 0.00 -0.55 0.00 0.00 66.41 62.86 1xi6 h THR 19 Cb 0.82 2.57 -0.06 0.00 -1.73 0.00 0.00 68.15 69.74 1xi6 h THR 19 CO 0.07 0.70 -2.30 0.41 -0.25 0.00 0.00 175.52 174.15 1xi6 n THR 20 N -3.26 1.31 -0.10 6.82 -1.04 -0.27 -4.60 114.28 113.12 1xi6 n THR 20 Ca -0.18 -0.52 -0.11 0.00 -2.04 0.00 0.00 64.05 61.20 1xi6 n THR 20 Cb 1.04 -1.26 -0.15 0.00 -1.82 0.00 0.00 70.33 68.13 1xi6 n THR 20 CO 0.00 0.00 0.00 -0.38 -0.64 0.00 0.00 175.07 174.05 1xi6 n ILE 21 N -3.14 1.42 -0.21 12.58 -0.00 -0.61 -4.53 119.36 124.87 1xi6 n ILE 21 Ca -0.40 -0.81 0.05 0.00 -0.00 0.00 0.00 62.75 61.59 1xi6 n ILE 21 Cb 0.94 -0.64 0.32 0.00 -0.00 0.00 0.00 39.64 40.26 1xi6 n ILE 21 CO 0.00 0.00 0.00 0.24 -0.00 0.00 0.00 176.55 176.79 1xi6 h MET 22 N 0.00 0.82 -1.03 0.38 2.86 -1.48 -0.91 114.93 115.57 1xi6 h MET 22 Ca -0.55 -0.05 0.30 0.00 -2.06 0.00 0.00 59.70 57.34 1xi6 h MET 22 Cb 2.18 -0.18 -0.04 0.00 0.06 0.00 0.00 31.60 33.62 1xi6 h MET 22 CO 0.01 0.54 0.89 -1.35 1.06 0.00 0.00 176.91 178.06 1xi6 h PRO 23 N 0.84 0.00 -0.09 -0.22 0.11 -1.79 -1.80 132.00 129.04 1xi6 h PRO 23 Ca 0.32 0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.43 1xi6 h PRO 23 Cb 0.20 0.00 0.00 0.00 0.11 0.00 0.00 31.00 31.31 1xi6 h PRO 23 CO -0.11 0.00 0.00 1.19 -0.21 0.00 0.00 178.00 178.87 1xi6 n PHE 24 N -3.82 0.11 -1.77 0.65 3.72 -0.35 -4.86 117.46 111.14 1xi6 n PHE 24 Ca 0.22 -0.05 -0.42 0.00 -0.05 0.00 0.00 57.45 57.15 1xi6 n PHE 24 Cb 1.22 0.00 -0.03 0.00 -0.94 0.00 0.00 39.48 39.73 1xi6 n PHE 24 CO 0.00 0.00 0.00 0.12 -0.05 0.00 0.00 176.76 176.83 1xi6 s PHE 25 N -1.89 1.71 0.00 1.38 5.36 -0.68 -2.11 117.98 121.75 1xi6 s PHE 25 Ca 0.35 -0.17 0.00 0.00 -0.96 0.00 0.00 56.93 56.15 1xi6 s PHE 25 Cb 0.19 -4.14 0.00 0.00 -0.34 0.00 0.00 43.02 38.73 1xi6 s PHE 25 CO 0.30 -4.94 0.00 0.41 -1.46 0.00 0.00 175.22 169.53 1xi6 n GLY 26 N 4.34 2.33 3.69 13.12 0.00 -0.34 -4.89 105.19 123.44 1xi6 n GLY 26 Ca 0.19 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.78 1xi6 n GLY 26 CO 0.00 0.00 0.00 0.21 0.00 0.00 0.00 173.32 173.53 1xi6 s ASN 27 N -3.32 6.96 0.40 1.61 3.84 -0.90 -4.54 114.94 118.99 1xi6 s ASN 27 Ca 0.00 1.96 0.18 0.00 0.21 0.00 0.00 52.86 55.21 1xi6 s ASN 27 Cb 0.00 -2.56 0.85 0.00 -0.55 0.00 0.00 41.25 38.99 1xi6 s ASN 27 CO 0.00 -0.64 1.84 -0.65 -2.79 0.00 0.00 177.10 174.86 1xi6 h PRO 28 N 7.60 0.00 0.00 0.43 0.11 -1.89 -3.15 132.00 135.10 1xi6 h PRO 28 Ca -0.36 0.00 -0.02 0.00 0.11 0.00 0.00 66.00 65.73 1xi6 h PRO 28 Cb 1.17 0.00 -0.00 0.00 0.11 0.00 0.00 31.00 32.28 1xi6 h PRO 28 CO 0.89 0.33 -0.07 -0.44 -0.21 0.00 0.00 178.00 178.49 1xi6 h ASP 29 N 0.00 0.00 0.28 -2.05 3.32 -1.95 -0.49 116.42 115.53 1xi6 h ASP 29 Ca -0.00 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.05 1xi6 h ASP 29 Cb 0.68 0.00 0.00 0.00 0.22 0.00 0.00 39.33 40.23 1xi6 h ASP 29 CO 0.04 0.07 0.00 0.61 -1.72 0.00 0.00 179.24 178.25 1xi6 n GLY 30 N -0.94 -0.79 0.69 2.75 0.00 -1.19 -2.31 105.19 103.40 1xi6 n GLY 30 Ca -0.02 -0.02 0.13 0.00 0.00 0.00 0.00 46.02 46.10 1xi6 n GLY 30 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1xi6 n GLY 31 N -0.66 0.43 3.65 -0.02 0.00 -0.19 -1.86 105.19 106.54 1xi6 n GLY 31 Ca 0.02 -0.58 -0.46 0.00 0.00 0.00 0.00 46.02 45.00 1xi6 n GLY 31 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 173.32 174.49 1xi6 n LYS 32 N 0.64 1.87 -2.66 1.61 4.81 -0.98 -4.68 118.16 118.77 1xi6 n LYS 32 Ca 0.15 0.67 -0.40 0.00 -0.87 0.00 0.00 58.31 57.85 1xi6 n LYS 32 Cb 0.48 -2.30 -0.05 0.00 0.02 0.00 0.00 35.03 33.18 1xi6 n LYS 32 CO 0.00 0.00 0.00 -0.51 1.17 0.00 0.00 177.40 178.06 1xi6 s LEU 33 N 0.27 4.59 0.00 3.14 1.43 -1.26 -0.81 118.68 126.04 1xi6 s LEU 33 Ca 0.70 2.01 0.00 0.00 -1.03 0.00 0.00 54.13 55.82 1xi6 s LEU 33 Cb -0.69 -3.61 0.00 0.00 0.03 0.00 0.00 46.19 41.92 1xi6 s LEU 33 CO 0.49 0.03 0.00 1.33 0.23 0.00 0.00 176.35 178.43 1xi6 n VAL 34 N 1.68 0.00 -2.35 -1.59 0.24 -1.26 -4.89 118.33 110.17 1xi6 n VAL 34 Ca -0.01 0.00 -0.42 0.00 -2.04 0.00 0.00 64.34 61.88 1xi6 n VAL 34 Cb 0.47 -0.13 -0.03 0.00 -1.47 0.00 0.00 33.84 32.68 1xi6 n VAL 34 CO 0.00 0.00 0.00 -0.54 -2.14 0.00 0.00 176.83 174.15 1xi6 s LYS 44 N -1.23 4.44 0.16 7.34 1.02 -1.26 -5.22 119.74 125.00 1xi6 s LYS 44 Ca 0.00 1.88 -0.15 0.00 0.02 0.00 0.00 55.97 57.72 1xi6 s LYS 44 Cb 0.00 -3.27 0.08 0.00 -0.52 0.00 0.00 37.83 34.12 1xi6 s LYS 44 CO 0.00 -0.20 1.77 1.25 -0.92 0.00 0.00 175.35 177.25 1xi6 h LEU 45 N 5.92 0.25 -1.23 3.17 5.85 -0.88 -1.98 115.31 126.41 1xi6 h LEU 45 Ca -0.43 0.03 -0.08 0.00 0.84 0.00 0.00 57.88 58.24 1xi6 h LEU 45 Cb 1.21 -0.01 -0.01 0.00 0.37 0.00 0.00 40.66 42.22 1xi6 h LEU 45 CO 0.78 0.18 -0.38 1.62 -0.34 0.00 0.00 178.44 180.30 1xi6 h VAL 46 N 0.37 1.23 -0.36 1.05 3.04 -1.67 -0.23 116.25 119.69 1xi6 h VAL 46 Ca 0.18 -1.33 -0.02 0.00 -1.01 0.00 0.00 66.70 64.53 1xi6 h VAL 46 Cb 0.12 1.72 -0.02 0.00 -2.01 0.00 0.00 31.29 31.10 1xi6 h VAL 46 CO -0.15 0.37 0.16 0.44 -1.01 0.00 0.00 177.57 177.39 1xi6 h ASP 47 N 0.00 0.48 -0.69 3.17 5.19 -1.64 -1.72 116.42 121.21 1xi6 h ASP 47 Ca -0.00 -0.14 -0.04 0.00 -0.62 0.00 0.00 57.03 56.23 1xi6 h ASP 47 Cb 0.69 -0.12 -0.03 0.00 0.18 0.00 0.00 39.33 40.05 1xi6 h ASP 47 CO 0.05 0.48 0.29 0.50 -3.12 0.00 0.00 179.24 177.44 1xi6 h LYS 48 N 0.44 1.02 -0.70 3.56 1.63 -0.89 0.20 116.57 121.84 1xi6 h LYS 48 Ca 0.12 -0.18 -0.01 0.00 -0.85 0.00 0.00 60.65 59.73 1xi6 h LYS 48 Cb 0.14 -0.17 -0.03 0.00 -0.60 0.00 0.00 32.23 31.57 1xi6 h LYS 48 CO -0.01 0.84 0.38 -0.07 -3.45 0.00 0.00 179.45 177.14 1xi6 h LEU 49 N 0.98 0.88 -0.22 5.20 3.38 -1.03 -0.61 115.31 123.88 1xi6 h LEU 49 Ca 0.23 -0.10 -0.05 0.00 0.09 0.00 0.00 57.88 58.05 1xi6 h LEU 49 Cb 0.19 -0.22 -0.01 0.00 0.09 0.00 0.00 40.66 40.71 1xi6 h LEU 49 CO -0.02 0.72 -0.06 0.00 0.09 0.00 0.00 178.44 179.18 1xi6 h ALA 50 N 1.19 0.30 -0.71 1.53 0.00 -0.96 -2.45 119.26 118.16 1xi6 h ALA 50 Ca 0.25 -0.26 0.08 0.00 0.00 0.00 0.00 54.91 54.97 1xi6 h ALA 50 Cb 0.04 -0.08 -0.06 0.00 0.00 0.00 0.00 17.79 17.69 1xi6 h ALA 50 CO -0.04 0.09 0.38 1.49 0.00 0.00 0.00 179.25 181.18 1xi6 h GLU 51 N 0.16 0.66 -0.62 0.00 4.57 -0.47 -2.46 114.58 116.42 1xi6 h GLU 51 Ca 0.06 -0.04 -0.06 0.00 -1.18 0.00 0.00 59.36 58.13 1xi6 h GLU 51 Cb 0.51 -0.15 -0.03 0.00 -0.16 0.00 0.00 28.75 28.93 1xi6 h GLU 51 CO 0.02 0.43 0.14 -0.44 -1.18 0.00 0.00 179.01 177.99 1xi6 h ASP 52 N 0.68 0.95 -0.27 1.04 3.32 -1.04 -1.25 116.42 119.85 1xi6 h ASP 52 Ca 0.33 -0.24 0.02 0.00 0.02 0.00 0.00 57.03 57.16 1xi6 h ASP 52 Cb 0.27 -0.25 -0.02 0.00 0.22 0.00 0.00 39.33 39.55 1xi6 h ASP 52 CO -0.22 0.94 0.12 0.25 -1.72 0.00 0.00 179.24 178.61 1xi6 h LEU 53 N 0.91 0.17 -0.03 1.55 5.85 -1.23 -1.62 115.31 120.91 1xi6 h LEU 53 Ca 0.19 0.02 -0.02 0.00 0.84 0.00 0.00 57.88 58.91 1xi6 h LEU 53 Cb 0.37 -0.01 0.00 0.00 0.37 0.00 0.00 40.66 41.39 1xi6 h LEU 53 CO 0.00 0.13 -0.07 0.40 -0.34 0.00 0.00 178.44 178.56 1xi6 h ILE 54 N 0.26 1.45 -0.96 4.05 2.04 -1.30 -3.29 117.51 119.76 1xi6 h ILE 54 Ca 0.11 -1.45 0.02 0.00 1.00 0.00 0.00 64.86 64.55 1xi6 h ILE 54 Cb 0.05 2.35 -0.05 0.00 -0.74 0.00 0.00 36.82 38.42 1xi6 h ILE 54 CO -0.09 0.39 0.63 -0.07 0.00 0.00 0.00 178.15 179.01 1xi6 h LEU 55 N -0.45 1.08 -2.47 1.44 3.38 -1.23 0.58 115.31 117.64 1xi6 h LEU 55 Ca -0.00 -0.02 0.00 0.00 0.09 0.00 0.00 57.88 57.95 1xi6 h LEU 55 Cb 0.67 -0.26 0.00 0.00 0.09 0.00 0.00 40.66 41.16 1xi6 h LEU 55 CO 0.02 0.77 0.00 0.77 0.09 0.00 0.00 178.44 180.08 1xi6 h SER 56 N 1.27 0.00 0.01 -0.43 4.64 -1.36 0.08 113.55 117.75 1xi6 h SER 56 Ca 0.36 0.00 -0.42 0.00 -0.47 0.00 0.00 61.79 61.26 1xi6 h SER 56 Cb -0.09 0.00 -0.07 0.00 -0.31 0.00 0.00 62.40 61.94 1xi6 h SER 56 CO -0.09 0.00 -2.41 -1.14 -0.87 0.00 0.00 176.83 172.31 1xi6 n ARG 57 N -2.92 0.61 -0.09 4.77 0.63 -0.77 -4.63 116.66 114.26 1xi6 n ARG 57 Ca -0.02 0.25 -0.13 0.00 -0.92 0.00 0.00 57.85 57.03 1xi6 n ARG 57 Cb 0.10 -1.53 -0.04 0.00 0.45 0.00 0.00 32.46 31.44 1xi6 n ARG 57 CO 0.00 0.00 0.00 0.82 -2.51 0.00 0.00 177.63 175.94 1xi6 h ILE 58 N -0.65 1.30 0.00 5.15 5.03 -0.61 -3.25 117.51 124.48 1xi6 h ILE 58 Ca -0.63 -1.48 -0.06 0.00 -0.12 0.00 0.00 64.86 62.56 1xi6 h ILE 58 Cb 1.70 1.57 -0.01 0.00 -3.03 0.00 0.00 36.82 37.05 1xi6 h ILE 58 CO -0.29 0.48 -0.31 0.71 -0.68 0.00 0.00 178.15 178.06 1xi6 h THR 59 N 0.49 1.02 -0.72 -0.27 1.35 -1.22 -2.55 112.91 111.01 1xi6 h THR 59 Ca 0.05 -1.13 0.11 0.00 -0.55 0.00 0.00 66.41 64.88 1xi6 h THR 59 Cb 0.89 1.64 -0.05 0.00 -1.73 0.00 0.00 68.15 68.90 1xi6 h THR 59 CO 0.08 0.30 0.48 -0.08 -0.25 0.00 0.00 175.52 176.04 1xi6 h GLU 60 N 0.00 0.54 0.00 4.72 4.57 -1.75 -1.74 114.58 120.91 1xi6 h GLU 60 Ca -0.00 -0.03 0.00 0.00 -1.18 0.00 0.00 59.36 58.14 1xi6 h GLU 60 Cb 0.62 -0.12 0.00 0.00 -0.16 0.00 0.00 28.75 29.09 1xi6 h GLU 60 CO 0.04 0.36 0.00 1.28 -1.18 0.00 0.00 179.01 179.51 1xi6 n LEU 61 N -4.49 0.00 -1.53 1.64 4.77 -0.96 -4.91 117.00 111.53 1xi6 n LEU 61 Ca 0.12 0.48 -0.13 0.00 -0.03 0.00 0.00 56.01 56.45 1xi6 n LEU 61 Cb 0.38 -0.48 -0.01 0.00 -2.33 0.00 0.00 43.42 40.99 1xi6 n LEU 61 CO 0.33 -0.22 -0.17 0.61 -1.33 0.00 0.00 177.39 176.61 1xi6 n GLY 62 N 0.13 -0.16 3.94 -0.72 0.00 -0.66 -5.04 105.19 102.69 1xi6 n GLY 62 Ca 0.04 -0.32 -0.24 0.00 0.00 0.00 0.00 46.02 45.50 1xi6 n GLY 62 CO 0.00 0.00 0.00 -1.34 0.00 0.00 0.00 173.32 171.98 1xi6 s VAL 63 N -2.67 3.85 0.30 1.61 -7.23 -1.26 -4.69 120.40 110.31 1xi6 s VAL 63 Ca 0.00 -0.36 -0.28 0.00 -1.81 0.00 0.00 61.98 59.53 1xi6 s VAL 63 Cb 0.00 -3.45 -0.09 0.00 0.56 0.00 0.00 36.38 33.39 1xi6 s VAL 63 CO 0.00 -0.36 1.03 0.20 -0.31 0.00 0.00 175.10 175.66 1xi6 s ASN 64 N -4.25 7.26 -0.02 4.85 0.01 -0.59 -4.63 114.94 117.57 1xi6 s ASN 64 Ca 0.50 2.10 0.06 0.00 -0.71 0.00 0.00 52.86 54.81 1xi6 s ASN 64 Cb -0.10 -2.61 -0.02 0.00 0.41 0.00 0.00 41.25 38.93 1xi6 s ASN 64 CO 0.40 -0.14 -0.20 0.68 -1.51 0.00 0.00 177.10 176.33 1xi6 s VAL 65 N -1.33 1.59 -0.04 1.60 -7.23 -0.72 -1.14 120.40 113.13 1xi6 s VAL 65 Ca 0.47 -0.86 0.07 0.00 -1.81 0.00 0.00 61.98 59.85 1xi6 s VAL 65 Cb -0.27 -1.32 -0.01 0.00 0.56 0.00 0.00 36.38 35.34 1xi6 s VAL 65 CO 0.34 0.45 -0.25 0.68 -0.31 0.00 0.00 175.10 176.01 1xi6 s VAL 66 N -0.46 2.07 -0.27 1.32 -7.23 -0.64 -0.04 120.40 115.15 1xi6 s VAL 66 Ca 0.07 -1.08 -0.25 0.00 -1.81 0.00 0.00 61.98 58.92 1xi6 s VAL 66 Cb -0.08 -1.73 0.10 0.00 0.56 0.00 0.00 36.38 35.23 1xi6 s VAL 66 CO -0.01 0.57 0.91 -0.55 -0.31 0.00 0.00 175.10 175.71 1xi6 s SER 67 N -0.33 -0.57 0.35 4.85 0.15 -0.45 -1.79 113.70 115.92 1xi6 s SER 67 Ca 0.02 1.08 0.07 0.00 0.70 0.00 0.00 55.95 57.82 1xi6 s SER 67 Cb -0.12 1.09 0.75 0.00 -1.71 0.00 0.00 66.02 66.03 1xi6 s SER 67 CO 0.02 -0.20 1.89 -0.08 1.20 0.00 0.00 173.24 176.07 1xi6 h GLU 68 N 4.46 0.74 0.00 5.44 4.81 -1.84 0.92 114.58 129.11 1xi6 h GLU 68 Ca -0.28 -0.04 -0.17 0.00 -0.13 0.00 0.00 59.36 58.74 1xi6 h GLU 68 Cb 1.17 -0.17 -0.02 0.00 0.63 0.00 0.00 28.75 30.36 1xi6 h GLU 68 CO 0.09 0.49 -0.81 0.93 -0.73 0.00 0.00 179.01 178.98 1xi6 h GLU 69 N 0.76 0.00 -0.09 1.92 5.08 -1.97 -3.37 114.58 116.92 1xi6 h GLU 69 Ca 0.41 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.77 1xi6 h GLU 69 Cb 0.54 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.79 1xi6 h GLU 69 CO -0.18 0.78 0.00 1.33 -1.00 0.00 0.00 179.01 179.94 1xi6 n VAL 70 N -3.29 0.61 -1.91 3.13 0.24 -0.93 -5.10 118.33 111.08 1xi6 n VAL 70 Ca 0.01 -0.81 0.00 0.00 -2.04 0.00 0.00 64.34 61.50 1xi6 n VAL 70 Cb 0.85 0.73 0.00 0.00 -1.47 0.00 0.00 33.84 33.96 1xi6 n VAL 70 CO 0.00 0.00 0.00 0.61 -2.14 0.00 0.00 176.83 175.30 1xi6 n GLY 71 N 0.04 3.04 3.62 7.63 0.00 0.27 -4.48 105.19 115.32 1xi6 n GLY 71 Ca 0.04 -0.27 -0.35 0.00 0.00 0.00 0.00 46.02 45.45 1xi6 n GLY 71 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1xi6 s VAL 72 N 0.00 4.75 -0.41 1.61 1.01 -1.26 -1.33 120.40 124.77 1xi6 s VAL 72 Ca 0.00 -0.05 -0.13 0.00 0.00 0.00 0.00 61.98 61.81 1xi6 s VAL 72 Cb 0.00 -3.14 0.04 0.00 0.00 0.00 0.00 36.38 33.28 1xi6 s VAL 72 CO 0.00 0.46 0.27 -0.63 0.00 0.00 0.00 175.10 175.20 1xi6 s ILE 73 N 0.42 4.86 -0.13 2.22 1.01 0.94 -5.00 121.20 125.52 1xi6 s ILE 73 Ca 0.03 -0.90 -0.22 0.00 0.00 0.00 0.00 60.65 59.56 1xi6 s ILE 73 Cb -0.13 -3.77 -0.03 0.00 0.01 0.00 0.00 42.46 38.54 1xi6 s ILE 73 CO 0.00 -0.35 0.65 -0.62 0.00 0.00 0.00 174.94 174.63 1xi6 s ASP 74 N 1.83 6.83 -0.11 3.58 -1.08 -1.26 -1.75 116.67 124.72 1xi6 s ASP 74 Ca 0.03 1.01 0.15 0.00 -0.52 0.00 0.00 52.55 53.22 1xi6 s ASP 74 Cb -0.20 -2.37 0.24 0.00 -1.46 0.00 0.00 42.92 39.13 1xi6 s ASP 74 CO 0.07 -0.18 1.13 0.59 0.52 0.00 0.00 175.17 177.30 1xi6 n ASN 75 N 4.35 1.80 -4.39 -0.34 3.02 -1.26 -4.97 115.26 113.47 1xi6 n ASN 75 Ca -0.02 -2.91 -0.40 0.00 -0.03 0.00 0.00 54.58 51.23 1xi6 n ASN 75 Cb 0.51 -0.39 -0.07 0.00 -0.61 0.00 0.00 39.78 39.22 1xi6 n ASN 75 CO 0.00 0.00 0.00 -0.62 -2.62 0.00 0.00 177.26 174.02 1xi6 n GLU 76 N -1.09 -1.26 -3.57 3.52 -0.58 -1.26 -4.89 120.64 111.51 1xi6 n GLU 76 Ca 0.13 0.18 -0.34 0.00 -0.42 0.00 0.00 57.16 56.71 1xi6 n GLU 76 Cb 0.67 -4.78 -0.05 0.00 -0.57 0.00 0.00 31.44 26.70 1xi6 n GLU 76 CO 0.00 0.00 0.00 0.45 -0.48 0.00 0.00 177.13 177.10 1xi6 s SER 77 N -3.19 6.62 0.54 1.62 0.15 -1.26 -4.98 113.70 113.19 1xi6 s SER 77 Ca 0.78 0.78 0.19 0.00 0.70 0.00 0.00 55.95 58.40 1xi6 s SER 77 Cb -0.45 -2.17 1.40 0.00 -1.71 0.00 0.00 66.02 63.09 1xi6 s SER 77 CO 0.96 0.13 2.17 -0.08 1.20 0.00 0.00 173.24 177.62 1xi6 h GLU 78 N 3.44 0.00 -5.97 5.44 4.81 -1.91 -3.44 114.58 116.96 1xi6 h GLU 78 Ca -0.48 0.00 -0.68 0.00 -0.13 0.00 0.00 59.36 58.07 1xi6 h GLU 78 Cb 1.19 0.00 -0.15 0.00 0.63 0.00 0.00 28.75 30.42 1xi6 h GLU 78 CO 0.68 0.00 -0.62 0.71 -0.73 0.00 0.00 179.01 179.05 1xi6 s TYR 79 N -4.97 3.18 -0.09 0.92 1.51 -1.26 -0.00 117.35 116.64 1xi6 s TYR 79 Ca -0.05 0.20 0.02 0.00 -1.01 0.00 0.00 57.07 56.24 1xi6 s TYR 79 Cb 0.17 -1.79 0.01 0.00 -0.11 0.00 0.00 41.96 40.24 1xi6 s TYR 79 CO 0.64 0.48 -0.15 0.99 -1.11 0.00 0.00 175.55 176.40 1xi6 s THR 80 N -0.90 1.41 -0.27 -0.71 2.01 -0.38 -1.54 115.64 115.27 1xi6 s THR 80 Ca 0.13 -0.61 -0.06 0.00 0.31 0.00 0.00 61.69 61.46 1xi6 s THR 80 Cb -0.11 -1.29 -0.00 0.00 0.01 0.00 0.00 72.50 71.11 1xi6 s THR 80 CO 0.03 0.42 0.06 -0.69 -0.69 0.00 0.00 174.62 173.74 1xi6 s VAL 81 N 0.82 3.94 -0.19 3.82 1.01 -0.29 -0.12 120.40 129.40 1xi6 s VAL 81 Ca -0.11 -0.52 -0.20 0.00 0.00 0.00 0.00 61.98 61.15 1xi6 s VAL 81 Cb -0.16 -2.95 -0.03 0.00 0.00 0.00 0.00 36.38 33.25 1xi6 s VAL 81 CO 0.01 0.21 0.59 -0.63 0.00 0.00 0.00 175.10 175.28 1xi6 s ILE 82 N 1.52 5.05 -0.20 2.22 1.01 0.58 -1.62 121.20 129.77 1xi6 s ILE 82 Ca 0.04 1.11 -0.02 0.00 0.00 0.00 0.00 60.65 61.78 1xi6 s ILE 82 Cb -0.16 -3.91 -0.00 0.00 0.01 0.00 0.00 42.46 38.40 1xi6 s ILE 82 CO 0.02 0.14 -0.10 -0.69 0.00 0.00 0.00 174.94 174.31 1xi6 s VAL 83 N 1.76 2.94 -0.40 2.92 1.01 -0.74 -0.87 120.40 127.02 1xi6 s VAL 83 Ca 0.27 -0.65 -0.04 0.00 0.00 0.00 0.00 61.98 61.56 1xi6 s VAL 83 Cb -0.16 -2.30 0.09 0.00 0.00 0.00 0.00 36.38 34.02 1xi6 s VAL 83 CO 0.10 0.47 0.19 -0.62 0.00 0.00 0.00 175.10 175.24 1xi6 s ASP 84 N 1.27 5.30 0.31 3.32 -1.08 -0.60 -4.49 116.67 120.69 1xi6 s ASP 84 Ca 0.03 -1.80 0.10 0.00 -0.52 0.00 0.00 52.55 50.37 1xi6 s ASP 84 Cb -0.14 -1.85 0.48 0.00 -1.46 0.00 0.00 42.92 39.95 1xi6 s ASP 84 CO -0.05 -0.51 1.69 1.55 0.52 0.00 0.00 175.17 178.38 1xi6 h PRO 85 N 8.14 0.04 -1.55 4.34 0.13 -1.89 0.01 132.00 141.21 1xi6 h PRO 85 Ca -0.17 -0.02 -0.24 0.00 -0.87 0.00 0.00 66.00 64.70 1xi6 h PRO 85 Cb 1.06 0.00 -0.26 0.00 0.13 0.00 0.00 31.00 31.93 1xi6 h PRO 85 CO 0.69 0.54 -0.59 -1.17 -0.23 0.00 0.00 178.00 177.25 1xi6 s LEU 86 N -7.89 -0.68 0.10 1.56 2.96 -1.26 -4.51 118.68 108.96 1xi6 s LEU 86 Ca -0.02 -1.23 -0.30 0.00 -0.22 0.00 0.00 54.13 52.35 1xi6 s LEU 86 Cb 0.13 1.15 -0.06 0.00 0.50 0.00 0.00 46.19 47.91 1xi6 s LEU 86 CO 0.75 -0.22 1.16 -0.62 -1.32 0.00 0.00 176.35 176.09 1xi6 s ASP 87 N 1.62 7.15 0.00 3.68 3.68 0.46 -3.78 116.67 129.48 1xi6 s ASP 87 Ca 0.16 2.02 0.00 0.00 2.13 0.00 0.00 52.55 56.87 1xi6 s ASP 87 Cb -0.11 -2.59 0.00 0.00 -1.45 0.00 0.00 42.92 38.78 1xi6 s ASP 87 CO -0.05 -0.38 0.00 0.61 0.13 0.00 0.00 175.17 175.48 1xi6 n GLY 88 N 2.81 0.74 0.12 2.66 0.00 -1.26 -1.53 105.19 108.73 1xi6 n GLY 88 Ca 0.07 -0.49 -0.08 0.00 0.00 0.00 0.00 46.02 45.51 1xi6 n GLY 88 CO 0.00 0.00 0.00 0.23 0.00 0.00 0.00 173.32 173.55 1xi6 h SER 89 N 0.00 0.00 -0.27 1.61 0.87 -1.83 -1.39 113.55 112.55 1xi6 h SER 89 Ca 0.00 0.04 0.01 0.00 -1.23 0.00 0.00 61.79 60.61 1xi6 h SER 89 Cb 0.83 0.05 -0.02 0.00 -0.44 0.00 0.00 62.40 62.83 1xi6 h SER 89 CO 0.00 0.03 0.14 0.22 -0.53 0.00 0.00 176.83 176.70 1xi6 h TYR 90 N 0.13 0.27 -0.15 2.24 5.03 -1.94 -2.55 116.97 120.00 1xi6 h TYR 90 Ca 0.11 0.01 0.04 0.00 2.58 0.00 0.00 58.73 61.47 1xi6 h TYR 90 Cb 0.11 -0.08 -0.05 0.00 1.55 0.00 0.00 36.73 38.26 1xi6 h TYR 90 CO -0.15 0.16 -0.14 -0.91 -1.32 0.00 0.00 178.16 175.79 1xi6 h ASN 91 N 0.30 -0.44 -0.47 -2.11 2.35 -1.80 -0.51 115.58 112.90 1xi6 h ASN 91 Ca 0.11 0.09 0.08 0.00 -0.55 0.00 0.00 56.30 56.02 1xi6 h ASN 91 Cb 0.01 0.22 -0.06 0.00 0.05 0.00 0.00 38.32 38.54 1xi6 h ASN 91 CO -0.06 -0.18 0.10 0.15 -1.65 0.00 0.00 177.43 175.79 1xi6 h PHE 92 N -0.16 0.17 -0.07 1.19 3.04 -1.15 0.49 116.94 120.46 1xi6 h PHE 92 Ca 0.10 0.03 -0.01 0.00 3.98 0.00 0.00 57.97 62.07 1xi6 h PHE 92 Cb 0.30 -0.01 -0.00 0.00 2.56 0.00 0.00 35.95 38.81 1xi6 h PHE 92 CO -0.27 0.01 0.00 0.82 -2.02 0.00 0.00 178.31 176.86 1xi6 h ILE 93 N 0.24 1.24 0.00 1.41 2.04 -1.23 -0.87 117.51 120.35 1xi6 h ILE 93 Ca 0.23 -0.76 0.00 0.00 1.00 0.00 0.00 64.86 65.33 1xi6 h ILE 93 Cb 0.29 1.62 0.00 0.00 -0.74 0.00 0.00 36.82 38.00 1xi6 h ILE 93 CO -0.29 0.21 0.00 0.00 0.00 0.00 0.00 178.15 178.07 1xi6 h ALA 94 N 0.73 1.00 0.00 1.87 0.00 -0.76 -3.24 119.26 118.86 1xi6 h ALA 94 Ca 0.02 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.93 1xi6 h ALA 94 Cb 0.33 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.12 1xi6 h ALA 94 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 179.25 179.66 1xi6 n GLY 95 N -0.99 0.66 3.69 0.00 0.00 -0.56 -4.82 105.19 103.17 1xi6 n GLY 95 Ca -0.02 -0.42 -0.40 0.00 0.00 0.00 0.00 46.02 45.18 1xi6 n GLY 95 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1xi6 s ILE 96 N -2.00 5.03 -0.17 -0.61 1.01 0.06 -4.90 121.20 119.62 1xi6 s ILE 96 Ca 0.00 1.34 -0.04 0.00 0.00 0.00 0.00 60.65 61.95 1xi6 s ILE 96 Cb 0.00 -4.00 -0.08 0.00 0.01 0.00 0.00 42.46 38.38 1xi6 s ILE 96 CO 0.00 0.18 2.98 -0.81 0.00 0.00 0.00 174.94 177.29 1xi6 n PRO 97 N 4.40 1.96 -3.87 2.79 -0.05 -1.26 -3.87 135.00 135.09 1xi6 n PRO 97 Ca -0.01 -1.31 -0.30 0.00 -0.05 0.00 0.00 63.50 61.83 1xi6 n PRO 97 Cb 0.50 -1.86 -0.15 0.00 -0.05 0.00 0.00 33.50 31.94 1xi6 n PRO 97 CO 0.00 0.00 0.00 -0.06 -0.05 0.00 0.00 175.50 175.39 1xi6 s PHE 98 N -0.23 2.63 -0.00 0.54 0.08 -1.26 -4.90 117.98 114.84 1xi6 s PHE 98 Ca 0.51 -2.26 -0.28 0.00 0.12 0.00 0.00 56.93 55.02 1xi6 s PHE 98 Cb 0.29 -2.20 0.08 0.00 -0.57 0.00 0.00 43.02 40.62 1xi6 s PHE 98 CO -0.07 -0.89 0.74 -0.59 -0.10 0.00 0.00 175.22 174.31 1xi6 s PHE 99 N 1.30 -0.53 0.07 0.36 -0.71 -1.26 -4.55 117.98 112.66 1xi6 s PHE 99 Ca 0.09 0.69 -0.13 0.00 -1.04 0.00 0.00 56.93 56.53 1xi6 s PHE 99 Cb -0.18 0.48 0.02 0.00 -1.21 0.00 0.00 43.02 42.12 1xi6 s PHE 99 CO -0.16 -0.62 0.30 0.00 -1.34 0.00 0.00 175.22 173.40 1xi6 s ALA 100 N -2.18 -0.63 -0.06 1.99 0.00 -0.58 -4.29 121.76 116.01 1xi6 s ALA 100 Ca -0.04 -0.17 -0.03 0.00 0.00 0.00 0.00 51.96 51.72 1xi6 s ALA 100 Cb -0.01 0.45 -0.04 0.00 0.00 0.00 0.00 23.12 23.53 1xi6 s ALA 100 CO -0.01 -0.49 0.12 -0.51 0.00 0.00 0.00 175.76 174.86 1xi6 s LEU 101 N -2.45 4.14 0.02 0.00 1.43 -1.01 -0.41 118.68 120.40 1xi6 s LEU 101 Ca -0.00 0.30 0.00 0.00 -1.03 0.00 0.00 54.13 53.40 1xi6 s LEU 101 Cb 0.01 -2.23 -0.02 0.00 0.03 0.00 0.00 46.19 43.99 1xi6 s LEU 101 CO -0.07 0.33 -0.03 -0.94 0.23 0.00 0.00 176.35 175.87 1xi6 s SER 102 N -1.43 0.23 -0.03 2.29 1.04 -0.01 -1.82 113.70 113.97 1xi6 s SER 102 Ca 0.20 -0.45 0.00 0.00 0.48 0.00 0.00 55.95 56.19 1xi6 s SER 102 Cb -0.12 0.09 0.03 0.00 0.10 0.00 0.00 66.02 66.11 1xi6 s SER 102 CO 0.10 -0.26 0.00 -0.76 0.98 0.00 0.00 173.24 173.30 1xi6 s LEU 103 N -1.30 1.16 -0.14 2.42 1.43 -0.91 -1.56 118.68 119.78 1xi6 s LEU 103 Ca -0.14 -0.02 0.02 0.00 -1.03 0.00 0.00 54.13 52.96 1xi6 s LEU 103 Cb -0.09 -0.21 0.01 0.00 0.03 0.00 0.00 46.19 45.93 1xi6 s LEU 103 CO -0.01 -0.10 -0.22 0.00 0.23 0.00 0.00 176.35 176.25 1xi6 s ALA 104 N 1.02 2.26 -0.22 4.21 0.00 -0.05 -0.75 121.76 128.24 1xi6 s ALA 104 Ca -0.10 -1.09 -0.03 0.00 0.00 0.00 0.00 51.96 50.74 1xi6 s ALA 104 Cb -0.13 -1.01 0.00 0.00 0.00 0.00 0.00 23.12 21.98 1xi6 s ALA 104 CO -0.02 -0.03 -0.07 0.08 0.00 0.00 0.00 175.76 175.73 1xi6 s VAL 105 N 0.81 3.08 -0.08 0.00 1.01 0.21 -0.30 120.40 125.13 1xi6 s VAL 105 Ca -0.07 -0.66 -0.00 0.00 0.00 0.00 0.00 61.98 61.25 1xi6 s VAL 105 Cb -0.16 -2.42 -0.03 0.00 0.00 0.00 0.00 36.38 33.78 1xi6 s VAL 105 CO -0.02 0.40 -0.04 -0.36 0.00 0.00 0.00 175.10 175.08 1xi6 s PHE 106 N 1.42 3.02 -0.47 5.22 0.40 0.84 -0.92 117.98 127.49 1xi6 s PHE 106 Ca 0.05 0.07 -0.13 0.00 -0.60 0.00 0.00 56.93 56.32 1xi6 s PHE 106 Cb -0.14 -1.75 0.09 0.00 0.51 0.00 0.00 43.02 41.73 1xi6 s PHE 106 CO -0.05 0.37 0.37 0.21 0.70 0.00 0.00 175.22 176.82 1xi6 s LYS 107 N -0.79 2.79 5.83 0.44 2.20 -0.48 -1.25 119.74 128.47 1xi6 s LYS 107 Ca 0.12 -1.53 0.00 0.00 -0.36 0.00 0.00 55.97 54.20 1xi6 s LYS 107 Cb -0.11 -4.03 0.00 0.00 -1.51 0.00 0.00 37.83 32.17 1xi6 s LYS 107 CO 0.02 -1.10 0.00 1.63 -0.36 0.00 0.00 175.35 175.54 1xi6 n LYS 108 N 5.08 0.00 0.00 4.03 5.02 1.00 -2.84 118.16 130.45 1xi6 n LYS 108 Ca -0.11 0.00 0.03 0.00 -2.02 0.00 0.00 58.31 56.21 1xi6 n LYS 108 Cb 0.42 0.00 -0.02 0.00 -0.02 0.00 0.00 35.03 35.41 1xi6 n LYS 108 CO 0.00 0.00 0.00 -0.25 -0.52 0.00 0.00 177.40 176.63 1xi6 n ASP 109 N 11.19 0.62 -4.73 4.39 9.92 -1.26 -4.80 116.55 131.88 1xi6 n ASP 109 Ca 0.00 -0.81 -0.38 0.00 -0.53 0.00 0.00 54.79 53.07 1xi6 n ASP 109 Cb 0.00 0.79 -0.06 0.00 -0.64 0.00 0.00 41.12 41.21 1xi6 n ASP 109 CO 0.00 0.00 0.00 -0.54 0.13 0.00 0.00 177.20 176.79 1xi6 s LYS 110 N -1.45 4.33 0.30 -1.24 3.01 -1.13 -5.07 119.74 118.49 1xi6 s LYS 110 Ca 0.04 0.52 -0.29 0.00 -1.01 0.00 0.00 55.97 55.23 1xi6 s LYS 110 Cb 0.06 -3.42 -0.10 0.00 -1.01 0.00 0.00 37.83 33.36 1xi6 s LYS 110 CO 0.25 0.19 1.39 -1.25 0.51 0.00 0.00 175.35 176.45 1xi6 s PRO 111 N 0.48 4.28 0.00 -1.68 0.04 -1.26 -1.39 135.00 135.48 1xi6 s PRO 111 Ca 0.28 2.30 0.00 0.00 0.04 0.00 0.00 61.00 63.62 1xi6 s PRO 111 Cb -0.16 -3.08 0.00 0.00 0.04 0.00 0.00 34.50 31.31 1xi6 s PRO 111 CO 0.12 -0.34 0.00 0.44 0.04 0.00 0.00 177.00 177.25 1xi6 n ILE 112 N 1.50 0.00 -3.64 0.56 -5.35 -0.09 -4.72 119.36 107.62 1xi6 n ILE 112 Ca 0.03 -0.08 -0.08 0.00 -0.27 0.00 0.00 62.75 62.35 1xi6 n ILE 112 Cb 0.41 0.54 -0.07 0.00 -1.74 0.00 0.00 39.64 38.78 1xi6 n ILE 112 CO 0.00 0.00 0.00 -0.47 -1.76 0.00 0.00 176.55 174.32 1xi6 s TYR 113 N -1.59 -0.75 -0.04 4.28 6.04 -1.11 -4.21 117.35 119.97 1xi6 s TYR 113 Ca 0.00 1.63 -0.05 0.00 0.04 0.00 0.00 57.07 58.69 1xi6 s TYR 113 Cb 0.00 0.41 0.01 0.00 -1.04 0.00 0.00 41.96 41.34 1xi6 s TYR 113 CO 0.00 -0.36 0.13 0.00 -1.54 0.00 0.00 175.55 173.78 1xi6 s ALA 114 N 0.90 -0.32 0.04 3.97 0.00 -0.32 0.66 121.76 126.69 1xi6 s ALA 114 Ca -0.04 0.28 0.04 0.00 0.00 0.00 0.00 51.96 52.24 1xi6 s ALA 114 Cb -0.05 -0.16 -0.02 0.00 0.00 0.00 0.00 23.12 22.89 1xi6 s ALA 114 CO -0.10 -0.09 -0.12 0.96 0.00 0.00 0.00 175.76 176.41 1xi6 s ILE 115 N -0.20 0.90 -0.10 0.00 -4.36 0.07 -0.19 121.20 117.32 1xi6 s ILE 115 Ca -0.03 -1.03 -0.00 0.00 -0.26 0.00 0.00 60.65 59.33 1xi6 s ILE 115 Cb -0.02 -0.86 0.02 0.00 1.25 0.00 0.00 42.46 42.85 1xi6 s ILE 115 CO 0.00 -0.14 -0.08 -0.63 0.24 0.00 0.00 174.94 174.33 1xi6 s ILE 116 N -1.03 0.99 -0.18 8.37 1.01 -0.74 -2.15 121.20 127.47 1xi6 s ILE 116 Ca -0.02 -0.29 -0.06 0.00 0.00 0.00 0.00 60.65 60.29 1xi6 s ILE 116 Cb -0.08 -1.00 -0.03 0.00 0.01 0.00 0.00 42.46 41.36 1xi6 s ILE 116 CO 0.01 0.35 0.02 -0.47 0.00 0.00 0.00 174.94 174.86 1xi6 s TYR 117 N 1.54 3.12 -0.58 3.97 6.14 -0.75 -0.58 117.35 130.21 1xi6 s TYR 117 Ca 0.02 -0.18 -0.08 0.00 0.64 0.00 0.00 57.07 57.47 1xi6 s TYR 117 Cb -0.13 -2.05 0.15 0.00 0.42 0.00 0.00 41.96 40.35 1xi6 s TYR 117 CO -0.06 -0.02 0.44 -2.00 0.64 0.00 0.00 175.55 174.55 1xi6 s GLU 118 N 0.58 2.67 0.28 4.97 2.12 -0.23 -2.39 118.70 126.70 1xi6 s GLU 118 Ca 0.00 -2.14 0.01 0.00 0.36 0.00 0.00 54.97 53.20 1xi6 s GLU 118 Cb -0.14 -3.93 0.53 0.00 0.26 0.00 0.00 34.13 30.85 1xi6 s GLU 118 CO 0.02 -1.20 1.84 -1.35 -0.54 0.00 0.00 175.26 174.03 1xi6 h PRO 119 N 7.85 0.98 -0.00 4.30 0.11 -1.87 0.20 132.00 143.57 1xi6 h PRO 119 Ca -0.09 -0.06 -0.04 0.00 0.11 0.00 0.00 66.00 65.93 1xi6 h PRO 119 Cb 1.03 -0.22 -0.01 0.00 0.11 0.00 0.00 31.00 31.91 1xi6 h PRO 119 CO 0.78 0.65 -0.17 0.52 -0.21 0.00 0.00 178.00 179.57 1xi6 h MET 120 N 1.01 0.00 -0.01 1.05 2.86 -1.90 -2.76 114.93 115.17 1xi6 h MET 120 Ca 0.49 -0.00 0.00 0.00 -2.06 0.00 0.00 59.70 58.13 1xi6 h MET 120 Cb 0.45 -0.00 0.00 0.00 0.06 0.00 0.00 31.60 32.11 1xi6 h MET 120 CO -0.25 0.17 -0.33 0.25 1.06 0.00 0.00 176.91 177.81 1xi6 n THR 121 N -4.34 0.00 -3.29 2.22 -2.24 -0.97 -5.00 114.28 100.66 1xi6 n THR 121 Ca -0.02 -0.34 -0.24 0.00 -2.27 0.00 0.00 64.05 61.18 1xi6 n THR 121 Cb 0.24 1.16 0.04 0.00 -2.10 0.00 0.00 70.33 69.66 1xi6 n THR 121 CO 0.00 0.00 0.00 -0.62 -0.57 0.00 0.00 175.07 173.88 1xi6 n GLU 122 N -0.24 -5.31 -3.45 -0.78 1.02 0.02 -4.97 120.64 106.93 1xi6 n GLU 122 Ca 0.06 0.79 -0.38 0.00 -0.02 0.00 0.00 57.16 57.61 1xi6 n GLU 122 Cb 0.30 -5.67 -0.08 0.00 -0.02 0.00 0.00 31.44 25.98 1xi6 n GLU 122 CO 0.00 0.00 0.00 1.03 1.18 0.00 0.00 177.13 179.34 1xi6 s ARG 123 N -5.98 4.19 -0.46 3.49 0.52 -0.99 -4.92 118.95 114.80 1xi6 s ARG 123 Ca 0.42 0.14 -0.06 0.00 -0.52 0.00 0.00 55.73 55.71 1xi6 s ARG 123 Cb -0.19 -3.51 0.12 0.00 0.52 0.00 0.00 34.95 31.89 1xi6 s ARG 123 CO 0.51 0.04 0.29 0.12 0.02 0.00 0.00 175.30 176.29 1xi6 s PHE 124 N 1.06 3.51 -0.04 -0.53 5.36 -1.26 -1.07 117.98 125.01 1xi6 s PHE 124 Ca 0.18 -2.21 -0.19 0.00 -0.96 0.00 0.00 56.93 53.75 1xi6 s PHE 124 Cb -0.14 -3.35 -0.05 0.00 -0.34 0.00 0.00 43.02 39.14 1xi6 s PHE 124 CO 0.07 -0.97 0.52 -0.06 -1.46 0.00 0.00 175.22 173.32 1xi6 s PHE 125 N 1.12 3.63 -0.04 10.12 0.40 0.25 -0.33 117.98 133.13 1xi6 s PHE 125 Ca 0.08 1.06 0.05 0.00 -0.60 0.00 0.00 56.93 57.52 1xi6 s PHE 125 Cb -0.24 -2.54 -0.01 0.00 0.51 0.00 0.00 43.02 40.75 1xi6 s PHE 125 CO -0.03 0.33 -0.19 -1.21 0.70 0.00 0.00 175.22 174.83 1xi6 s GLU 126 N -0.04 1.92 -0.27 0.44 2.02 0.18 -1.79 118.70 121.16 1xi6 s GLU 126 Ca 0.28 -0.67 0.03 0.00 0.02 0.00 0.00 54.97 54.63 1xi6 s GLU 126 Cb -0.17 -1.67 0.07 0.00 0.10 0.00 0.00 34.13 32.46 1xi6 s GLU 126 CO 0.14 0.28 -0.08 0.20 0.02 0.00 0.00 175.26 175.83 1xi6 s GLY 127 N -0.04 1.62 -0.37 -1.39 0.00 0.73 -0.52 107.32 107.36 1xi6 s GLY 127 Ca -0.03 -1.79 0.02 0.00 0.00 0.00 0.00 44.72 42.92 1xi6 s GLY 127 CO 0.02 0.72 0.12 -0.42 0.00 0.00 0.00 173.10 173.55 1xi6 s ILE 128 N 1.14 1.74 0.12 0.90 1.01 -0.99 -1.17 121.20 123.94 1xi6 s ILE 128 Ca -0.06 -2.21 -0.35 0.00 0.00 0.00 0.00 60.65 58.03 1xi6 s ILE 128 Cb -0.20 -2.27 -0.17 0.00 0.01 0.00 0.00 42.46 39.84 1xi6 s ILE 128 CO -0.06 -0.70 1.23 -2.65 0.00 0.00 0.00 174.94 172.76 1xi6 n PRO 129 N 4.17 1.04 -1.80 2.79 -0.02 -1.26 -0.84 135.00 139.09 1xi6 n PRO 129 Ca 0.03 0.37 -0.08 0.00 -2.02 0.00 0.00 63.50 61.80 1xi6 n PRO 129 Cb 0.39 -1.93 -0.02 0.00 -0.02 0.00 0.00 33.50 31.93 1xi6 n PRO 129 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 1xi6 n GLY 130 N 2.21 0.42 0.00 -1.23 0.00 -1.26 -4.76 105.19 100.57 1xi6 n GLY 130 Ca 0.17 -0.58 0.00 0.00 0.00 0.00 0.00 46.02 45.61 1xi6 n GLY 130 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 1xi6 n GLU 131 N -2.18 0.69 0.00 1.61 1.02 -0.02 -5.18 120.64 116.57 1xi6 n GLU 131 Ca -0.09 0.00 0.00 0.00 -0.02 0.00 0.00 57.16 57.05 1xi6 n GLU 131 Cb 0.46 -0.20 0.00 0.00 -0.02 0.00 0.00 31.44 31.68 1xi6 n GLU 131 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 1xi6 n GLY 132 N -0.08 -2.23 3.81 0.62 0.00 -0.02 -4.97 105.19 102.33 1xi6 n GLY 132 Ca 0.00 -1.87 -0.39 0.00 0.00 0.00 0.00 46.02 43.76 1xi6 n GLY 132 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1xi6 s ALA 133 N -1.53 3.59 0.04 4.61 0.00 -0.96 -2.33 121.76 125.17 1xi6 s ALA 133 Ca 0.00 0.03 0.05 0.00 0.00 0.00 0.00 51.96 52.03 1xi6 s ALA 133 Cb 0.00 -2.63 -0.02 0.00 0.00 0.00 0.00 23.12 20.47 1xi6 s ALA 133 CO 0.00 0.40 -0.13 -0.06 0.00 0.00 0.00 175.76 175.97 1xi6 s PHE 134 N -1.11 1.17 -0.13 0.00 0.08 0.33 -1.21 117.98 117.11 1xi6 s PHE 134 Ca 0.29 -0.36 0.02 0.00 0.12 0.00 0.00 56.93 57.00 1xi6 s PHE 134 Cb -0.19 -0.69 0.02 0.00 -0.57 0.00 0.00 43.02 41.58 1xi6 s PHE 134 CO 0.19 0.03 -0.17 -1.17 -0.10 0.00 0.00 175.22 173.99 1xi6 s LEU 135 N -1.15 1.86 -1.54 -0.37 2.96 -0.68 0.47 118.68 120.23 1xi6 s LEU 135 Ca 0.01 -0.51 -0.01 0.00 -0.22 0.00 0.00 54.13 53.40 1xi6 s LEU 135 Cb -0.08 -1.25 0.00 0.00 0.50 0.00 0.00 46.19 45.36 1xi6 s LEU 135 CO 0.01 0.02 0.03 0.59 -1.32 0.00 0.00 176.35 175.68 1xi6 n ASN 136 N 4.33 0.80 0.00 3.68 3.02 0.56 -1.57 115.26 126.08 1xi6 n ASN 136 Ca -0.19 -1.27 0.00 0.00 -0.03 0.00 0.00 54.58 53.09 1xi6 n ASN 136 Cb 0.51 -1.65 0.00 0.00 -0.61 0.00 0.00 39.78 38.03 1xi6 n ASN 136 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 1xi6 n GLY 137 N -2.55 2.91 3.72 7.41 0.00 -1.26 -5.01 105.19 110.41 1xi6 n GLY 137 Ca -0.32 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 45.33 1xi6 n GLY 137 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1xi6 s LYS 138 N -0.15 4.25 0.22 1.61 3.01 -0.61 -4.97 119.74 123.10 1xi6 s LYS 138 Ca 0.00 0.08 -0.31 0.00 -1.01 0.00 0.00 55.97 54.73 1xi6 s LYS 138 Cb 0.00 -3.43 -0.15 0.00 -1.01 0.00 0.00 37.83 33.24 1xi6 s LYS 138 CO 0.00 0.23 1.13 2.89 0.51 0.00 0.00 175.35 180.11 1xi6 n ARG 139 N 3.62 1.33 -4.28 1.68 0.00 -1.26 -1.69 116.66 116.05 1xi6 n ARG 139 Ca -0.12 0.47 -0.17 0.00 -0.00 0.00 0.00 57.85 58.03 1xi6 n ARG 139 Cb 0.52 -1.94 -0.10 0.00 -0.00 0.00 0.00 32.46 30.94 1xi6 n ARG 139 CO 0.00 0.00 0.00 0.96 0.00 0.00 0.00 177.63 178.59 1xi6 s ILE 140 N -0.50 1.44 -0.07 8.89 -4.36 -0.35 -4.82 121.20 121.43 1xi6 s ILE 140 Ca 0.67 -1.98 -0.27 0.00 -0.26 0.00 0.00 60.65 58.82 1xi6 s ILE 140 Cb -0.77 -1.80 0.06 0.00 1.25 0.00 0.00 42.46 41.20 1xi6 s ILE 140 CO 0.55 -0.56 0.60 -0.54 0.24 0.00 0.00 174.94 175.23 1xi6 s LYS 141 N -3.28 0.93 0.63 0.37 -0.14 -1.20 -4.40 119.74 112.66 1xi6 s LYS 141 Ca 0.16 0.28 -0.18 0.00 -1.36 0.00 0.00 55.97 54.87 1xi6 s LYS 141 Cb -0.02 0.44 -0.05 0.00 -1.68 0.00 0.00 37.83 36.53 1xi6 s LYS 141 CO 0.04 -0.26 0.83 1.33 -0.76 0.00 0.00 175.35 176.52 1xi6 n VAL 142 N 1.28 3.16 -2.54 3.17 0.24 -0.32 -4.35 118.33 118.96 1xi6 n VAL 142 Ca -0.19 -0.47 -0.28 0.00 -2.04 0.00 0.00 64.34 61.36 1xi6 n VAL 142 Cb 0.57 -1.00 0.00 0.00 -1.47 0.00 0.00 33.84 31.94 1xi6 n VAL 142 CO 0.00 0.00 0.00 0.00 -2.14 0.00 0.00 176.83 174.69 1xi6 s ARG 143 N -2.72 3.48 0.00 7.34 1.70 -1.26 -4.93 118.95 122.56 1xi6 s ARG 143 Ca 0.74 0.23 0.00 0.00 -0.47 0.00 0.00 55.73 56.23 1xi6 s ARG 143 Cb -0.40 -2.34 0.00 0.00 -0.57 0.00 0.00 34.95 31.64 1xi6 s ARG 143 CO 0.50 -0.29 0.84 0.36 -1.08 0.00 0.00 175.30 175.62 1xi6 n LYS 144 N -2.34 0.00 -1.30 3.89 2.85 -1.26 -4.98 118.16 115.02 1xi6 n LYS 144 Ca 0.01 0.35 0.00 0.00 -1.05 0.00 0.00 58.31 57.62 1xi6 n LYS 144 Cb 0.55 -1.61 0.00 0.00 -0.65 0.00 0.00 35.03 33.32 1xi6 n LYS 144 CO 0.00 0.00 0.00 0.43 -0.05 0.00 0.00 177.40 177.78 1xi6 n SER 151 N -1.34 -4.83 -4.04 -5.58 7.64 -1.26 -5.14 113.62 99.07 1xi6 n SER 151 Ca 0.00 0.62 -0.08 0.00 1.01 0.00 0.00 58.87 60.43 1xi6 n SER 151 Cb 0.11 -2.62 -0.10 0.00 -1.01 0.00 0.00 64.21 60.59 1xi6 n SER 151 CO 0.00 0.00 0.00 0.27 -3.01 0.00 0.00 175.04 172.30 1xi6 s ILE 152 N -0.22 0.18 0.15 0.44 -4.36 -0.86 -0.27 121.20 116.27 1xi6 s ILE 152 Ca 0.00 -1.50 -0.28 0.00 -0.26 0.00 0.00 60.65 58.60 1xi6 s ILE 152 Cb 0.00 -1.13 -0.07 0.00 1.25 0.00 0.00 42.46 42.50 1xi6 s ILE 152 CO 0.00 -0.83 0.89 -0.44 0.24 0.00 0.00 174.94 174.80 1xi6 s SER 153 N -2.47 7.48 -0.06 4.36 0.01 0.61 0.02 113.70 123.65 1xi6 s SER 153 Ca -0.00 1.76 -0.01 0.00 1.31 0.00 0.00 55.95 59.01 1xi6 s SER 153 Cb 0.02 -2.56 0.03 0.00 0.21 0.00 0.00 66.02 63.72 1xi6 s SER 153 CO -0.07 0.07 -0.00 0.12 0.41 0.00 0.00 173.24 173.77 1xi6 s PHE 154 N -0.61 0.58 -0.10 2.43 5.36 -0.21 -0.67 117.98 124.75 1xi6 s PHE 154 Ca 0.41 -0.11 0.03 0.00 -0.96 0.00 0.00 56.93 56.30 1xi6 s PHE 154 Cb -0.24 -0.68 0.01 0.00 -0.34 0.00 0.00 43.02 41.77 1xi6 s PHE 154 CO 0.29 -0.26 -0.19 0.71 -1.46 0.00 0.00 175.22 174.31 1xi6 s TYR 155 N 1.62 2.20 -0.29 10.12 1.51 0.81 -4.64 117.35 128.68 1xi6 s TYR 155 Ca -0.01 -0.95 -0.14 0.00 -1.01 0.00 0.00 57.07 54.96 1xi6 s TYR 155 Cb -0.13 -1.52 0.10 0.00 -0.11 0.00 0.00 41.96 40.31 1xi6 s TYR 155 CO -0.03 -0.43 0.72 0.45 -1.11 0.00 0.00 175.55 175.15 1xi6 s SER 156 N 0.62 -0.95 0.25 2.29 0.15 -1.26 -0.24 113.70 114.55 1xi6 s SER 156 Ca -0.14 1.44 0.26 0.00 0.70 0.00 0.00 55.95 58.21 1xi6 s SER 156 Cb -0.16 1.66 0.83 0.00 -1.71 0.00 0.00 66.02 66.64 1xi6 s SER 156 CO 0.04 -0.22 1.76 0.08 1.20 0.00 0.00 173.24 176.10 1xi6 h ARG 157 N 7.24 0.00 0.00 5.44 -0.00 -1.98 -3.45 114.38 121.63 1xi6 h ARG 157 Ca -0.26 0.00 0.00 0.00 -0.00 0.00 0.00 59.98 59.72 1xi6 h ARG 157 Cb 1.18 0.00 0.00 0.00 -0.00 0.00 0.00 29.97 31.15 1xi6 h ARG 157 CO 0.14 0.00 0.00 0.41 -0.00 0.00 0.00 179.97 180.52 1xi6 n GLY 158 N 0.96 -0.82 2.91 0.08 0.00 -1.26 -5.16 105.19 101.90 1xi6 n GLY 158 Ca 0.05 0.18 -0.11 0.00 0.00 0.00 0.00 46.02 46.13 1xi6 n GLY 158 CO 0.00 0.00 0.00 0.58 0.00 0.00 0.00 173.32 173.90 1xi6 n LYS 159 N -2.60 -1.51 0.00 1.61 2.85 -1.26 -4.76 118.16 112.49 1xi6 n LYS 159 Ca 0.00 -0.45 0.00 0.00 -1.05 0.00 0.00 58.31 56.81 1xi6 n LYS 159 Cb 0.00 -1.29 0.00 0.00 -0.65 0.00 0.00 35.03 33.09 1xi6 n LYS 159 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 177.40 177.76 1xi6 n GLY 160 N 2.66 0.85 3.19 2.58 0.00 -1.26 -4.86 105.19 108.35 1xi6 n GLY 160 Ca 0.04 -0.72 0.00 0.00 0.00 0.00 0.00 46.02 45.34 1xi6 n GLY 160 CO 0.00 0.00 0.00 1.42 0.00 0.00 0.00 173.32 174.74 1xi6 n HIS 161 N 0.00 0.00 0.21 1.61 -0.00 -1.26 -4.53 115.22 111.25 1xi6 n HIS 161 Ca 0.00 0.00 0.11 0.00 -0.00 0.00 0.00 57.72 57.83 1xi6 n HIS 161 Cb 0.00 -0.87 0.15 0.00 -0.00 0.00 0.00 29.99 29.28 1xi6 n HIS 161 CO 0.00 0.00 0.00 1.05 -0.00 0.00 0.00 176.34 177.39 1xi6 h GLU 162 N 1.12 0.00 0.12 -0.41 -0.00 -1.96 -3.39 114.58 110.07 1xi6 h GLU 162 Ca 0.00 0.00 -0.01 0.00 -0.00 0.00 0.00 59.36 59.35 1xi6 h GLU 162 Cb 0.17 0.00 0.00 0.00 -0.00 0.00 0.00 28.75 28.92 1xi6 h GLU 162 CO 0.00 0.07 -0.06 0.82 -0.00 0.00 0.00 179.01 179.84 1xi6 h ILE 163 N 0.00 0.74 -0.86 -1.06 2.04 -1.94 -3.34 117.51 113.09 1xi6 h ILE 163 Ca -0.00 -1.26 0.11 0.00 1.00 0.00 0.00 64.86 64.71 1xi6 h ILE 163 Cb 1.05 1.31 -0.13 0.00 -0.74 0.00 0.00 36.82 38.32 1xi6 h ILE 163 CO 0.01 0.22 -0.47 0.58 0.00 0.00 0.00 178.15 178.49 1xi6 h VAL 164 N -0.94 0.03 0.00 1.67 2.07 -1.91 0.78 116.25 117.94 1xi6 h VAL 164 Ca -0.02 0.00 0.00 0.00 0.82 0.00 0.00 66.70 67.50 1xi6 h VAL 164 Cb 0.48 0.03 0.00 0.00 -1.52 0.00 0.00 31.29 30.28 1xi6 h VAL 164 CO 0.03 0.00 0.00 0.29 0.02 0.00 0.00 177.57 177.91 1xi6 n LYS 165 N -5.38 0.41 0.00 1.57 4.01 -1.26 -3.22 118.16 114.29 1xi6 n LYS 165 Ca 0.05 0.00 0.00 0.00 -0.51 0.00 0.00 58.31 57.85 1xi6 n LYS 165 Cb 0.34 -1.03 0.00 0.00 -0.51 0.00 0.00 35.03 33.83 1xi6 n LYS 165 CO 0.00 0.00 0.00 -2.39 -1.11 0.00 0.00 177.40 173.90 1xi6 n HIS 166 N -0.38 0.00 -4.16 2.13 -0.00 0.26 -5.09 115.22 107.98 1xi6 n HIS 166 Ca 0.00 -0.04 -0.17 0.00 -0.00 0.00 0.00 57.72 57.51 1xi6 n HIS 166 Cb 0.02 -0.00 -0.12 0.00 -0.00 0.00 0.00 29.99 29.88 1xi6 n HIS 166 CO 0.00 0.00 0.00 0.54 -0.00 0.00 0.00 176.34 176.88 1xi6 s VAL 167 N -0.08 1.02 0.24 0.61 0.11 -1.14 -5.06 120.40 116.09 1xi6 s VAL 167 Ca 0.00 -1.33 -0.05 0.00 -2.93 0.00 0.00 61.98 57.66 1xi6 s VAL 167 Cb 0.00 -1.06 0.19 0.00 -1.53 0.00 0.00 36.38 33.98 1xi6 s VAL 167 CO 0.00 -0.30 1.78 0.07 -3.33 0.00 0.00 175.10 173.32 1xi6 h LYS 168 N 4.20 0.61 -2.32 1.54 2.10 -1.94 -3.45 116.57 117.30 1xi6 h LYS 168 Ca -0.40 -0.04 0.00 0.00 -2.00 0.00 0.00 60.65 58.22 1xi6 h LYS 168 Cb 1.19 -0.14 -0.17 0.00 -0.90 0.00 0.00 32.23 32.22 1xi6 h LYS 168 CO 0.42 0.40 0.30 -0.98 -2.00 0.00 0.00 179.45 177.59 1xi6 s ARG 169 N -6.04 1.03 0.14 0.07 1.70 -1.26 -5.00 118.95 109.59 1xi6 s ARG 169 Ca -0.12 -0.09 0.10 0.00 -0.47 0.00 0.00 55.73 55.15 1xi6 s ARG 169 Cb 0.19 0.48 -0.04 0.00 -0.57 0.00 0.00 34.95 35.01 1xi6 s ARG 169 CO 0.77 -0.39 -0.25 0.95 -1.08 0.00 0.00 175.30 175.30 1xi6 s THR 170 N -2.35 2.13 0.08 4.99 -4.23 -1.26 -2.03 115.64 112.97 1xi6 s THR 170 Ca -0.03 -1.77 0.08 0.00 -1.18 0.00 0.00 61.69 58.79 1xi6 s THR 170 Cb -0.01 -1.91 -0.03 0.00 1.34 0.00 0.00 72.50 71.89 1xi6 s THR 170 CO -0.02 -0.00 -0.20 -0.13 -0.54 0.00 0.00 174.62 173.72 1xi6 s ARG 171 N -2.17 1.18 -0.37 3.99 1.81 0.10 -4.95 118.95 118.54 1xi6 s ARG 171 Ca 0.14 -1.08 0.01 0.00 -1.72 0.00 0.00 55.73 53.08 1xi6 s ARG 171 Cb -0.09 -1.38 0.15 0.00 -0.45 0.00 0.00 34.95 33.17 1xi6 s ARG 171 CO 0.06 0.33 0.27 0.99 -0.68 0.00 0.00 175.30 176.28 1xi6 s THR 172 N -1.06 0.07 -0.29 0.02 2.01 -1.26 -1.05 115.64 114.09 1xi6 s THR 172 Ca 0.06 -1.76 0.23 0.00 0.31 0.00 0.00 61.69 60.53 1xi6 s THR 172 Cb -0.10 -1.04 -0.04 0.00 0.01 0.00 0.00 72.50 71.33 1xi6 s THR 172 CO 0.03 -0.95 1.01 0.18 -0.69 0.00 0.00 174.62 174.20 1xi6 n LEU 173 N 3.81 0.73 0.00 4.42 4.77 -1.26 -4.98 117.00 124.50 1xi6 n LEU 173 Ca 0.16 0.26 0.00 0.00 -0.03 0.00 0.00 56.01 56.39 1xi6 n LEU 173 Cb 0.41 -0.07 0.00 0.00 -2.33 0.00 0.00 43.42 41.43 1xi6 n LEU 173 CO 0.12 -0.14 0.00 0.61 -1.33 0.00 0.00 177.39 176.65 1xi6 n GLY 174 N 1.22 0.62 2.65 -0.72 0.00 -1.26 -4.83 105.19 102.88 1xi6 n GLY 174 Ca 0.00 -0.68 -0.16 0.00 0.00 0.00 0.00 46.02 45.17 1xi6 n GLY 174 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1xi6 s ALA 175 N -2.00 -0.32 0.28 4.61 0.00 -1.26 -4.05 121.76 119.02 1xi6 s ALA 175 Ca 0.00 -1.29 0.01 0.00 0.00 0.00 0.00 51.96 50.68 1xi6 s ALA 175 Cb 0.00 -2.10 0.42 0.00 0.00 0.00 0.00 23.12 21.44 1xi6 s ALA 175 CO 0.00 -2.12 1.77 0.97 0.00 0.00 0.00 175.76 176.38 1xi6 h ILE 176 N 4.88 1.24 -0.71 0.00 2.10 -1.94 0.28 117.51 123.36 1xi6 h ILE 176 Ca 0.13 -1.05 0.14 0.00 1.08 0.00 0.00 64.86 65.15 1xi6 h ILE 176 Cb 1.03 1.07 -0.09 0.00 -1.09 0.00 0.00 36.82 37.73 1xi6 h ILE 176 CO 0.20 0.35 0.24 0.00 -1.08 0.00 0.00 178.15 177.87 1xi6 h ALA 177 N 1.32 0.95 -0.18 0.18 0.00 -1.96 -2.15 119.26 117.42 1xi6 h ALA 177 Ca 0.11 0.12 -0.22 0.00 0.00 0.00 0.00 54.91 54.92 1xi6 h ALA 177 Cb 0.51 0.13 0.01 0.00 0.00 0.00 0.00 17.79 18.43 1xi6 h ALA 177 CO 0.03 -0.25 -0.73 1.25 0.00 0.00 0.00 179.25 179.55 1xi6 h LEU 178 N 0.38 0.94 -0.91 0.00 5.85 -1.35 -3.03 115.31 117.19 1xi6 h LEU 178 Ca 0.39 -0.59 -0.02 0.00 0.84 0.00 0.00 57.88 58.49 1xi6 h LEU 178 Cb 0.59 -0.28 -0.04 0.00 0.37 0.00 0.00 40.66 41.30 1xi6 h LEU 178 CO -0.41 1.39 0.44 -0.33 -0.34 0.00 0.00 178.44 179.19 1xi6 h GLU 179 N 0.56 1.22 -0.83 1.25 5.08 -1.00 -1.13 114.58 119.72 1xi6 h GLU 179 Ca -0.04 -0.16 0.06 0.00 -1.00 0.00 0.00 59.36 58.22 1xi6 h GLU 179 Cb 1.36 -0.23 -0.05 0.00 0.50 0.00 0.00 28.75 30.32 1xi6 h GLU 179 CO 0.15 0.91 0.54 -0.07 -1.00 0.00 0.00 179.01 179.55 1xi6 h LEU 180 N 1.22 0.81 -1.08 1.33 3.38 -1.39 -1.66 115.31 117.92 1xi6 h LEU 180 Ca 0.30 0.01 -0.10 0.00 0.09 0.00 0.00 57.88 58.18 1xi6 h LEU 180 Cb 0.07 -0.17 -0.01 0.00 0.09 0.00 0.00 40.66 40.64 1xi6 h LEU 180 CO -0.04 0.52 -0.42 0.00 0.09 0.00 0.00 178.44 178.59 1xi6 h ALA 181 N 1.55 1.23 -0.39 1.53 0.00 -1.12 -2.34 119.26 119.72 1xi6 h ALA 181 Ca 0.36 -0.40 -0.13 0.00 0.00 0.00 0.00 54.91 54.74 1xi6 h ALA 181 Cb 0.22 -0.08 -0.01 0.00 0.00 0.00 0.00 17.79 17.93 1xi6 h ALA 181 CO -0.13 0.55 -0.29 1.88 0.00 0.00 0.00 179.25 181.27 1xi6 h TYR 182 N 0.07 0.97 -0.21 0.00 0.99 -0.42 -2.50 116.97 115.87 1xi6 h TYR 182 Ca 0.00 -0.25 0.03 0.00 2.00 0.00 0.00 58.73 60.52 1xi6 h TYR 182 Cb 0.78 -0.22 -0.03 0.00 1.00 0.00 0.00 36.73 38.26 1xi6 h TYR 182 CO 0.00 1.02 0.02 1.25 -0.00 0.00 0.00 178.16 180.45 1xi6 h LEU 183 N 0.71 -0.03 -2.14 3.88 5.85 -1.14 0.64 115.31 123.08 1xi6 h LEU 183 Ca 0.08 0.04 0.00 0.00 0.84 0.00 0.00 57.88 58.84 1xi6 h LEU 183 Cb 0.83 0.06 0.00 0.00 0.37 0.00 0.00 40.66 41.92 1xi6 h LEU 183 CO 0.07 0.01 0.00 0.00 -0.34 0.00 0.00 178.44 178.18 1xi6 h ALA 184 N 1.16 1.00 0.00 1.25 0.00 -1.25 -1.38 119.26 120.04 1xi6 h ALA 184 Ca 0.09 0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.00 1xi6 h ALA 184 Cb 0.10 0.00 0.00 0.00 0.00 0.00 0.00 17.79 17.89 1xi6 h ALA 184 CO -0.14 0.00 -1.60 -0.12 0.00 0.00 0.00 179.25 177.39 1xi6 n MET 185 N -2.74 0.51 -1.11 0.00 0.00 -0.94 -3.23 117.12 109.62 1xi6 n MET 185 Ca -0.02 -0.10 0.00 0.00 -0.00 0.00 0.00 57.70 57.58 1xi6 n MET 185 Cb 0.09 -1.57 0.00 0.00 0.00 0.00 0.00 33.22 31.75 1xi6 n MET 185 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 175.97 176.38 1xi6 n GLY 186 N 1.30 0.66 0.18 -5.12 0.00 -0.52 -4.81 105.19 96.88 1xi6 n GLY 186 Ca -0.02 -0.74 0.10 0.00 0.00 0.00 0.00 46.02 45.36 1xi6 n GLY 186 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1xi6 h ALA 187 N 0.00 0.81 -2.38 4.61 0.00 -1.14 -3.45 119.26 117.71 1xi6 h ALA 187 Ca 0.00 -0.12 -0.21 0.00 0.00 0.00 0.00 54.91 54.58 1xi6 h ALA 187 Cb 0.36 0.00 -0.15 0.00 0.00 0.00 0.00 17.79 18.01 1xi6 h ALA 187 CO 0.00 0.16 -0.65 -0.51 0.00 0.00 0.00 179.25 178.25 1xi6 s LEU 188 N -6.03 1.87 -0.15 0.00 1.43 -1.23 -4.97 118.68 109.59 1xi6 s LEU 188 Ca 0.04 -1.20 0.09 0.00 -1.03 0.00 0.00 54.13 52.03 1xi6 s LEU 188 Cb 0.07 0.21 -0.23 0.00 0.03 0.00 0.00 46.19 46.26 1xi6 s LEU 188 CO 0.72 -0.69 0.23 0.47 0.23 0.00 0.00 176.35 177.31 1xi6 n ASP 189 N -0.13 1.05 -3.54 2.29 8.00 0.63 -4.60 116.55 120.24 1xi6 n ASP 189 Ca -0.06 0.13 -0.14 0.00 0.71 0.00 0.00 54.79 55.43 1xi6 n ASP 189 Cb 0.64 0.07 -0.05 0.00 -0.02 0.00 0.00 41.12 41.75 1xi6 n ASP 189 CO 0.00 0.00 0.00 -0.83 -0.39 0.00 0.00 177.20 175.98 1xi6 s GLY 190 N -5.62 -0.48 -0.17 0.44 0.00 -1.20 -1.49 107.32 98.82 1xi6 s GLY 190 Ca -0.16 0.68 -0.01 0.00 0.00 0.00 0.00 44.72 45.23 1xi6 s GLY 190 CO 0.77 0.37 -0.13 0.14 0.00 0.00 0.00 173.10 174.24 1xi6 s VAL 191 N -2.47 2.80 -0.15 1.40 1.01 0.14 -0.29 120.40 122.84 1xi6 s VAL 191 Ca -0.05 -0.72 -0.00 0.00 0.00 0.00 0.00 61.98 61.21 1xi6 s VAL 191 Cb -0.01 -2.20 0.03 0.00 0.00 0.00 0.00 36.38 34.20 1xi6 s VAL 191 CO -0.02 0.50 -0.08 -0.69 0.00 0.00 0.00 175.10 174.81 1xi6 s VAL 192 N 0.94 1.21 -0.28 2.92 1.01 0.16 -0.23 120.40 126.13 1xi6 s VAL 192 Ca -0.03 -0.57 0.00 0.00 0.00 0.00 0.00 61.98 61.38 1xi6 s VAL 192 Cb -0.15 -1.29 0.08 0.00 0.00 0.00 0.00 36.38 35.02 1xi6 s VAL 192 CO -0.01 0.25 0.04 -0.62 0.00 0.00 0.00 175.10 174.75 1xi6 s ASP 193 N 1.61 3.98 -0.50 3.32 3.68 0.85 -0.14 116.67 129.46 1xi6 s ASP 193 Ca 0.02 -1.50 0.03 0.00 2.13 0.00 0.00 52.55 53.24 1xi6 s ASP 193 Cb -0.14 -1.06 0.42 0.00 -1.45 0.00 0.00 42.92 40.69 1xi6 s ASP 193 CO -0.08 -0.34 1.41 1.33 0.13 0.00 0.00 175.17 177.62 1xi6 n VAL 194 N 4.71 2.79 -3.08 1.11 0.24 0.66 -1.98 118.33 122.78 1xi6 n VAL 194 Ca -0.05 -4.39 -0.20 0.00 -2.04 0.00 0.00 64.34 57.66 1xi6 n VAL 194 Cb 0.43 -1.22 0.06 0.00 -1.47 0.00 0.00 33.84 31.64 1xi6 n VAL 194 CO 0.00 0.00 0.00 -0.13 -2.14 0.00 0.00 176.83 174.56 1xi6 s ARG 195 N -3.69 2.30 -0.55 7.34 0.52 -1.25 -4.38 118.95 119.24 1xi6 s ARG 195 Ca 0.52 -1.66 0.05 0.00 -0.52 0.00 0.00 55.73 54.11 1xi6 s ARG 195 Cb 0.42 -2.62 0.36 0.00 0.52 0.00 0.00 34.95 33.64 1xi6 s ARG 195 CO -0.15 -0.85 1.02 0.36 0.02 0.00 0.00 175.30 175.70 1xi6 n LYS 196 N -2.22 3.33 -0.10 3.54 -0.00 -1.26 -4.32 118.16 117.14 1xi6 n LYS 196 Ca 0.15 -4.75 -0.12 0.00 -0.00 0.00 0.00 58.31 53.58 1xi6 n LYS 196 Cb 0.62 -2.25 -0.12 0.00 -0.00 0.00 0.00 35.03 33.28 1xi6 n LYS 196 CO 0.00 0.00 0.00 0.66 0.00 0.00 0.00 177.40 178.06 1xi6 n TYR 197 N -0.32 0.00 -2.27 5.58 0.53 -1.23 -4.28 117.16 115.16 1xi6 n TYR 197 Ca 0.34 0.00 -0.42 0.00 -1.02 0.00 0.00 57.90 56.80 1xi6 n TYR 197 Cb 0.47 -0.87 -0.03 0.00 -1.03 0.00 0.00 39.34 37.88 1xi6 n TYR 197 CO 0.00 0.00 0.00 0.14 -1.02 0.00 0.00 176.86 175.98 1xi6 s VAL 198 N -2.44 3.44 0.38 -0.72 -7.23 -1.25 -4.67 120.40 107.91 1xi6 s VAL 198 Ca -0.20 1.13 -0.09 0.00 -1.81 0.00 0.00 61.98 61.01 1xi6 s VAL 198 Cb 0.07 -3.72 -0.06 0.00 0.56 0.00 0.00 36.38 33.23 1xi6 s VAL 198 CO 0.62 0.14 0.71 -0.13 -0.31 0.00 0.00 175.10 176.13 1xi6 s ARG 199 N 0.34 3.73 0.57 4.82 3.00 -1.26 -0.61 118.95 129.54 1xi6 s ARG 199 Ca 0.58 0.33 0.30 0.00 0.00 0.00 0.00 55.73 56.94 1xi6 s ARG 199 Cb -0.35 -2.46 1.73 0.00 0.00 0.00 0.00 34.95 33.88 1xi6 s ARG 199 CO 0.34 0.02 2.20 -1.00 0.00 0.00 0.00 175.30 176.87 1xi6 h PRO 200 N 1.31 0.00 0.00 3.54 0.13 -1.78 0.07 132.00 135.27 1xi6 h PRO 200 Ca -0.47 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.66 1xi6 h PRO 200 Cb 1.19 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.32 1xi6 h PRO 200 CO 0.64 0.04 0.00 1.79 -0.23 0.00 0.00 178.00 180.24 1xi6 h THR 201 N 0.00 0.00 0.12 1.56 1.35 -1.91 -1.63 112.91 112.40 1xi6 h THR 201 Ca -0.00 -0.05 -0.33 0.00 -0.55 0.00 0.00 66.41 65.47 1xi6 h THR 201 Cb 0.11 1.02 -0.01 0.00 -1.73 0.00 0.00 68.15 67.54 1xi6 h THR 201 CO 0.01 0.00 -1.79 0.44 -0.25 0.00 0.00 175.52 173.93 1xi6 h ASP 202 N 0.00 0.39 0.00 5.36 3.45 -1.36 -3.38 116.42 120.88 1xi6 h ASP 202 Ca 0.00 -0.88 0.00 0.00 0.43 0.00 0.00 57.03 56.58 1xi6 h ASP 202 Cb 0.06 -0.13 0.00 0.00 -0.56 0.00 0.00 39.33 38.70 1xi6 h ASP 202 CO 0.00 1.77 -0.75 2.30 -1.57 0.00 0.00 179.24 180.99 1xi6 n ILE 203 N -3.69 0.00 0.06 0.35 -5.35 -1.03 -4.13 119.36 105.57 1xi6 n ILE 203 Ca -0.30 -0.13 -0.06 0.00 -0.27 0.00 0.00 62.75 61.99 1xi6 n ILE 203 Cb 0.98 1.00 -0.03 0.00 -1.74 0.00 0.00 39.64 39.85 1xi6 n ILE 203 CO 0.00 0.00 0.00 0.00 -1.76 0.00 0.00 176.55 174.79 1xi6 h ALA 204 N 2.24 -0.77 -0.83 -1.28 0.00 -1.57 0.10 119.26 117.15 1xi6 h ALA 204 Ca 0.00 -0.05 0.05 0.00 0.00 0.00 0.00 54.91 54.91 1xi6 h ALA 204 Cb 0.38 0.54 -0.05 0.00 0.00 0.00 0.00 17.79 18.65 1xi6 h ALA 204 CO 0.00 -0.81 0.52 0.00 0.00 0.00 0.00 179.25 178.96 1xi6 h ALA 205 N -1.29 1.11 -0.22 0.00 0.00 -1.85 -2.04 119.26 114.97 1xi6 h ALA 205 Ca -0.01 -0.02 -0.06 0.00 0.00 0.00 0.00 54.91 54.82 1xi6 h ALA 205 Cb 0.28 -0.25 -0.01 0.00 0.00 0.00 0.00 17.79 17.80 1xi6 h ALA 205 CO -0.07 0.31 -0.12 0.78 0.00 0.00 0.00 179.25 180.14 1xi6 h GLY 206 N 0.99 0.39 0.73 0.00 0.00 -1.79 -1.28 103.07 102.11 1xi6 h GLY 206 Ca 0.35 -0.25 -0.00 0.00 0.00 0.00 0.00 47.33 47.42 1xi6 h GLY 206 CO -0.14 0.23 0.00 -0.84 0.00 0.00 0.00 176.54 175.79 1xi6 h THR 207 N 0.34 1.22 -0.06 4.70 2.02 -0.20 -1.83 112.91 119.10 1xi6 h THR 207 Ca 0.07 -0.65 0.02 0.00 0.77 0.00 0.00 66.41 66.61 1xi6 h THR 207 Cb 0.42 1.64 -0.02 0.00 -1.74 0.00 0.00 68.15 68.45 1xi6 h THR 207 CO 0.02 0.17 -0.05 0.40 0.37 0.00 0.00 175.52 176.43 1xi6 h ILE 208 N -0.25 0.84 -0.40 3.11 2.04 -1.14 0.25 117.51 121.97 1xi6 h ILE 208 Ca 0.00 0.00 -0.01 0.00 1.00 0.00 0.00 64.86 65.85 1xi6 h ILE 208 Cb 0.28 0.84 -0.02 0.00 -0.74 0.00 0.00 36.82 37.18 1xi6 h ILE 208 CO 0.00 0.00 0.20 0.40 0.00 0.00 0.00 178.15 178.75 1xi6 h ILE 209 N -0.07 1.17 -0.32 -0.67 2.04 -1.30 -1.43 117.51 116.93 1xi6 h ILE 209 Ca 0.04 -0.47 -0.05 0.00 1.00 0.00 0.00 64.86 65.38 1xi6 h ILE 209 Cb 0.13 0.74 -0.01 0.00 -0.74 0.00 0.00 36.82 36.94 1xi6 h ILE 209 CO -0.10 0.18 0.01 0.00 0.00 0.00 0.00 178.15 178.24 1xi6 h ALA 210 N 1.05 0.43 -0.36 1.87 0.00 -1.08 -2.84 119.26 118.34 1xi6 h ALA 210 Ca 0.14 -0.23 0.01 0.00 0.00 0.00 0.00 54.91 54.83 1xi6 h ALA 210 Cb 0.10 -0.12 -0.02 0.00 0.00 0.00 0.00 17.79 17.75 1xi6 h ALA 210 CO -0.02 0.18 0.21 1.57 0.00 0.00 0.00 179.25 181.19 1xi6 h LYS 211 N 0.36 0.42 0.00 0.00 -0.00 -0.39 0.12 116.57 117.08 1xi6 h LYS 211 Ca 0.09 -0.03 0.00 0.00 -0.00 0.00 0.00 60.65 60.72 1xi6 h LYS 211 Cb 0.43 -0.09 0.00 0.00 -0.00 0.00 0.00 32.23 32.56 1xi6 h LYS 211 CO 0.01 0.28 0.00 0.39 -0.00 0.00 0.00 179.45 180.13 1xi6 n GLU 212 N -4.88 0.05 -0.07 0.07 -0.58 -0.55 -1.38 120.64 113.30 1xi6 n GLU 212 Ca 0.00 0.30 0.05 0.00 -0.42 0.00 0.00 57.16 57.09 1xi6 n GLU 212 Cb 0.05 -1.50 0.08 0.00 -0.57 0.00 0.00 31.44 29.50 1xi6 n GLU 212 CO 0.00 0.00 0.00 0.00 -0.48 0.00 0.00 177.13 176.65 1xi6 n ALA 213 N -1.39 2.32 0.00 0.62 0.00 -0.56 -2.27 120.51 119.23 1xi6 n ALA 213 Ca 0.02 -0.83 0.00 0.00 0.00 0.00 0.00 53.44 52.63 1xi6 n ALA 213 Cb 0.06 -0.33 0.00 0.00 0.00 0.00 0.00 19.45 19.19 1xi6 n ALA 213 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1xi6 n GLY 214 N 0.42 0.60 3.67 0.00 0.00 -0.48 -1.18 105.19 108.23 1xi6 n GLY 214 Ca 0.07 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 45.72 1xi6 n GLY 214 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1xi6 n ALA 215 N -1.35 0.64 -3.33 4.61 0.00 0.31 -4.87 120.51 116.52 1xi6 n ALA 215 Ca 0.00 -0.01 -0.37 0.00 0.00 0.00 0.00 53.44 53.06 1xi6 n ALA 215 Cb 0.00 -2.22 -0.12 0.00 0.00 0.00 0.00 19.45 17.11 1xi6 n ALA 215 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 177.50 176.99 1xi6 s LEU 216 N -3.23 4.39 -0.38 0.00 1.43 -0.71 -4.50 118.68 115.68 1xi6 s LEU 216 Ca 0.80 -1.25 -0.07 0.00 -1.03 0.00 0.00 54.13 52.58 1xi6 s LEU 216 Cb -0.39 -1.85 0.06 0.00 0.03 0.00 0.00 46.19 44.04 1xi6 s LEU 216 CO 0.43 -0.35 0.18 -0.63 0.23 0.00 0.00 176.35 176.22 1xi6 s ILE 217 N 1.37 3.92 0.00 -0.59 1.09 -1.26 -2.14 121.20 123.59 1xi6 s ILE 217 Ca -0.01 -1.36 0.00 0.00 -1.10 0.00 0.00 60.65 58.18 1xi6 s ILE 217 Cb -0.20 -3.35 0.00 0.00 -1.06 0.00 0.00 42.46 37.85 1xi6 s ILE 217 CO 0.02 -0.38 0.00 0.29 -0.10 0.00 0.00 174.94 174.76 1xi6 n LYS 218 N 4.83 2.61 -4.70 2.79 4.76 -0.77 -2.61 118.16 125.08 1xi6 n LYS 218 Ca -0.10 0.00 -0.31 0.00 -2.87 0.00 0.00 58.31 55.03 1xi6 n LYS 218 Cb 0.43 0.00 -0.07 0.00 -1.84 0.00 0.00 35.03 33.55 1xi6 n LYS 218 CO 0.00 0.00 0.00 0.16 -1.37 0.00 0.00 177.40 176.19 1xi6 s ASP 219 N -0.33 3.75 0.26 4.39 3.84 -0.74 -2.93 116.67 124.90 1xi6 s ASP 219 Ca 0.00 -1.71 -0.01 0.00 -0.00 0.00 0.00 52.55 50.83 1xi6 s ASP 219 Cb 0.00 0.64 0.57 0.00 -1.38 0.00 0.00 42.92 42.75 1xi6 s ASP 219 CO 0.00 -0.94 1.35 -1.54 -0.00 0.00 0.00 175.17 174.04 1xi6 n SER 220 N -1.35 -0.17 0.00 2.11 3.41 -1.26 -2.24 113.62 114.11 1xi6 n SER 220 Ca -0.16 1.47 0.00 0.00 -0.26 0.00 0.00 58.87 59.91 1xi6 n SER 220 Cb 0.66 -0.51 0.00 0.00 -0.26 0.00 0.00 64.21 64.11 1xi6 n SER 220 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 1xi6 n ALA 221 N -3.38 -0.03 0.00 7.33 0.00 -1.26 -5.00 120.51 118.18 1xi6 n ALA 221 Ca 0.18 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.62 1xi6 n ALA 221 Cb 0.59 0.00 0.00 0.00 0.00 0.00 0.00 19.45 20.04 1xi6 n ALA 221 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1xi6 n GLY 222 N -0.04 -0.03 3.91 0.00 0.00 -0.95 -5.00 105.19 103.09 1xi6 n GLY 222 Ca 0.00 0.00 -0.28 0.00 0.00 0.00 0.00 46.02 45.74 1xi6 n GLY 222 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1xi6 s LYS 223 N 0.00 3.58 0.39 1.61 0.00 -1.26 -4.71 119.74 119.35 1xi6 s LYS 223 Ca 0.00 -0.13 -0.26 0.00 0.00 0.00 0.00 55.97 55.58 1xi6 s LYS 223 Cb 0.00 -2.71 -0.11 0.00 0.00 0.00 0.00 37.83 35.01 1xi6 s LYS 223 CO 0.00 0.27 1.15 -0.25 0.00 0.00 0.00 175.35 176.52 1xi6 n ASP 224 N -0.93 1.99 -4.73 0.03 9.92 -1.26 -1.80 116.55 119.77 1xi6 n ASP 224 Ca -0.03 1.11 -0.41 0.00 -0.53 0.00 0.00 54.79 54.92 1xi6 n ASP 224 Cb 0.54 -1.42 -0.03 0.00 -0.64 0.00 0.00 41.12 39.57 1xi6 n ASP 224 CO 0.00 0.00 0.00 -0.63 0.13 0.00 0.00 177.20 176.70 1xi6 s ILE 225 N -1.19 3.59 -0.08 0.53 1.09 -1.07 -4.77 121.20 119.29 1xi6 s ILE 225 Ca 0.61 1.31 0.03 0.00 -1.10 0.00 0.00 60.65 61.49 1xi6 s ILE 225 Cb -0.56 -3.84 -0.02 0.00 -1.06 0.00 0.00 42.46 36.99 1xi6 s ILE 225 CO 0.58 0.19 -0.17 1.51 -0.10 0.00 0.00 174.94 176.96 1xi6 s ASP 226 N 0.27 3.77 -0.71 3.58 3.84 -1.26 -5.00 116.67 121.16 1xi6 s ASP 226 Ca 0.54 -0.33 -0.23 0.00 -0.00 0.00 0.00 52.55 52.53 1xi6 s ASP 226 Cb -0.33 -1.17 0.07 0.00 -1.38 0.00 0.00 42.92 40.11 1xi6 s ASP 226 CO 0.36 0.24 1.03 -0.63 -0.00 0.00 0.00 175.17 176.18 1xi6 s ILE 227 N -0.14 4.28 0.53 2.11 -1.09 -1.26 -5.04 121.20 120.59 1xi6 s ILE 227 Ca -0.02 -0.42 -0.21 0.00 -2.23 0.00 0.00 60.65 57.77 1xi6 s ILE 227 Cb -0.14 -4.74 -0.06 0.00 -1.58 0.00 0.00 42.46 35.95 1xi6 s ILE 227 CO 0.04 -1.53 1.18 -0.44 -1.23 0.00 0.00 174.94 172.96 1xi6 s SER 228 N 3.73 5.70 -0.23 3.58 0.01 -1.26 -4.95 113.70 120.29 1xi6 s SER 228 Ca 0.26 2.33 -0.01 0.00 1.31 0.00 0.00 55.95 59.83 1xi6 s SER 228 Cb -0.14 -2.60 0.13 0.00 0.21 0.00 0.00 66.02 63.62 1xi6 s SER 228 CO 0.08 -1.24 2.11 0.49 0.41 0.00 0.00 173.24 175.09 1xi6 n PHE 229 N -1.07 1.07 -4.58 2.43 0.99 -1.26 -4.87 117.46 110.17 1xi6 n PHE 229 Ca 0.11 -1.69 -0.27 0.00 -0.00 0.00 0.00 57.45 55.60 1xi6 n PHE 229 Cb 0.49 -0.88 -0.10 0.00 -1.00 0.00 0.00 39.48 37.99 1xi6 n PHE 229 CO 0.00 0.00 0.00 0.54 -0.00 0.00 0.00 176.76 177.30 1xi6 s ASN 230 N 0.74 3.33 -0.21 4.37 2.20 -1.26 -4.90 114.94 119.21 1xi6 s ASN 230 Ca 0.25 -1.46 0.14 0.00 -0.94 0.00 0.00 52.86 50.86 1xi6 s ASN 230 Cb 0.19 -0.03 0.51 0.00 -2.00 0.00 0.00 41.25 39.91 1xi6 s ASN 230 CO -0.02 -0.63 1.42 0.00 -2.94 0.00 0.00 177.10 174.94 1xi6 n ALA 231 N -0.93 3.37 0.00 3.54 0.00 -1.26 -4.22 120.51 121.01 1xi6 n ALA 231 Ca -0.07 -2.59 0.00 0.00 0.00 0.00 0.00 53.44 50.78 1xi6 n ALA 231 Cb 0.67 -0.71 0.00 0.00 0.00 0.00 0.00 19.45 19.41 1xi6 n ALA 231 CO 0.00 0.00 0.00 0.25 0.00 0.00 0.00 177.50 177.75 1xi6 n THR 232 N -0.77 0.00 -1.49 0.00 -2.24 -1.26 -4.87 114.28 103.64 1xi6 n THR 232 Ca 0.25 0.00 -0.47 0.00 -2.27 0.00 0.00 64.05 61.56 1xi6 n THR 232 Cb 0.93 -0.53 -0.03 0.00 -2.10 0.00 0.00 70.33 68.60 1xi6 n THR 232 CO 0.00 0.00 0.00 0.47 -0.57 0.00 0.00 175.07 174.97 1xi6 n ASP 233 N -2.40 -0.01 -4.11 3.42 10.43 -1.26 -4.97 116.55 117.65 1xi6 n ASP 233 Ca 0.00 1.15 -0.32 0.00 2.57 0.00 0.00 54.79 58.19 1xi6 n ASP 233 Cb 0.48 -1.10 -0.16 0.00 1.84 0.00 0.00 41.12 42.18 1xi6 n ASP 233 CO 0.00 0.00 0.00 -0.13 -1.07 0.00 0.00 177.20 176.00 1xi6 s ARG 234 N -1.08 2.80 0.39 -1.24 0.52 -1.26 -4.09 118.95 115.00 1xi6 s ARG 234 Ca 0.64 -0.77 0.07 0.00 -0.52 0.00 0.00 55.73 55.15 1xi6 s ARG 234 Cb -0.86 -2.37 -0.08 0.00 0.52 0.00 0.00 34.95 32.16 1xi6 s ARG 234 CO 0.57 -0.13 0.01 -0.51 0.02 0.00 0.00 175.30 175.27 1xi6 s LEU 235 N 1.12 2.76 -0.04 2.53 1.43 0.21 -4.82 118.68 121.87 1xi6 s LEU 235 Ca -0.01 -1.36 0.06 0.00 -1.03 0.00 0.00 54.13 51.80 1xi6 s LEU 235 Cb -0.14 -0.82 -0.02 0.00 0.03 0.00 0.00 46.19 45.24 1xi6 s LEU 235 CO -0.07 -0.46 -0.23 -1.81 0.23 0.00 0.00 176.35 174.00 1xi6 s ASP 236 N -3.67 3.29 -0.06 2.29 1.11 -1.26 -3.55 116.67 114.82 1xi6 s ASP 236 Ca 0.35 -0.41 0.04 0.00 0.18 0.00 0.00 52.55 52.71 1xi6 s ASP 236 Cb 0.09 -0.58 -0.02 0.00 1.07 0.00 0.00 42.92 43.48 1xi6 s ASP 236 CO 0.17 0.31 -0.18 0.68 1.18 0.00 0.00 175.17 177.33 1xi6 s VAL 237 N -0.52 2.72 -0.37 -1.27 -7.23 -0.84 -4.53 120.40 108.36 1xi6 s VAL 237 Ca 0.07 -0.84 0.01 0.00 -1.81 0.00 0.00 61.98 59.41 1xi6 s VAL 237 Cb -0.11 -2.05 0.12 0.00 0.56 0.00 0.00 36.38 34.90 1xi6 s VAL 237 CO 0.00 0.58 0.16 -0.63 -0.31 0.00 0.00 175.10 174.90 1xi6 s ILE 238 N -0.46 1.14 -0.15 -0.62 1.01 -1.15 -0.11 121.20 120.87 1xi6 s ILE 238 Ca 0.05 -1.95 -0.01 0.00 0.00 0.00 0.00 60.65 58.75 1xi6 s ILE 238 Cb -0.12 -1.83 -0.01 0.00 0.01 0.00 0.00 42.46 40.51 1xi6 s ILE 238 CO 0.02 -0.78 -0.12 0.00 0.00 0.00 0.00 174.94 174.06 1xi6 s ALA 239 N 1.03 2.64 0.26 9.38 0.00 0.68 -1.85 121.76 133.90 1xi6 s ALA 239 Ca 0.13 -0.94 -0.05 0.00 0.00 0.00 0.00 51.96 51.10 1xi6 s ALA 239 Cb -0.21 -1.29 -0.01 0.00 0.00 0.00 0.00 23.12 21.61 1xi6 s ALA 239 CO -0.12 0.13 0.36 0.14 0.00 0.00 0.00 175.76 176.27 1xi6 s VAL 240 N 0.55 0.00 0.07 0.00 -7.23 -0.91 0.25 120.40 113.13 1xi6 s VAL 240 Ca -0.08 -1.67 0.02 0.00 -1.81 0.00 0.00 61.98 58.44 1xi6 s VAL 240 Cb -0.16 -2.43 -0.25 0.00 0.56 0.00 0.00 36.38 34.11 1xi6 s VAL 240 CO 0.04 0.00 1.10 -1.13 -0.31 0.00 0.00 175.10 174.80 1xi6 h ASN 241 N 2.32 0.20 -4.74 4.85 -0.73 -1.60 -1.89 115.58 113.99 1xi6 h ASN 241 Ca -0.30 -0.24 0.08 0.00 1.87 0.00 0.00 56.30 57.72 1xi6 h ASN 241 Cb 1.25 -0.07 -0.14 0.00 0.27 0.00 0.00 38.32 39.63 1xi6 h ASN 241 CO 0.42 1.19 0.43 -0.94 -0.37 0.00 0.00 177.43 178.15 1xi6 s SER 242 N -6.84 -0.41 0.11 1.15 1.04 -1.26 -4.89 113.70 102.61 1xi6 s SER 242 Ca -0.03 -0.01 -0.21 0.00 0.48 0.00 0.00 55.95 56.18 1xi6 s SER 242 Cb 0.08 0.44 -0.08 0.00 0.10 0.00 0.00 66.02 66.56 1xi6 s SER 242 CO 0.85 -0.71 1.73 -0.33 0.98 0.00 0.00 173.24 175.76 1xi6 h GLU 243 N 2.00 0.05 -0.19 4.02 4.39 -1.99 -0.96 114.58 121.91 1xi6 h GLU 243 Ca -0.25 -0.00 0.04 0.00 0.34 0.00 0.00 59.36 59.49 1xi6 h GLU 243 Cb 1.26 -0.01 -0.07 0.00 -0.10 0.00 0.00 28.75 29.82 1xi6 h GLU 243 CO 0.32 0.04 -0.47 0.93 -1.16 0.00 0.00 179.01 178.66 1xi6 h GLU 244 N 0.06 -0.48 -0.48 2.33 3.07 -2.00 -0.50 114.58 116.58 1xi6 h GLU 244 Ca 0.05 0.03 0.05 0.00 -0.50 0.00 0.00 59.36 59.00 1xi6 h GLU 244 Cb 0.06 0.11 -0.05 0.00 -0.84 0.00 0.00 28.75 28.03 1xi6 h GLU 244 CO -0.08 -0.32 0.22 1.25 -1.40 0.00 0.00 179.01 178.68 1xi6 h LEU 245 N -0.50 0.29 -0.03 1.33 5.85 -1.95 -0.87 115.31 119.43 1xi6 h LEU 245 Ca 0.07 0.04 0.03 0.00 0.84 0.00 0.00 57.88 58.85 1xi6 h LEU 245 Cb 0.64 -0.01 -0.03 0.00 0.37 0.00 0.00 40.66 41.63 1xi6 h LEU 245 CO -0.45 0.21 -0.15 0.25 -0.34 0.00 0.00 178.44 177.95 1xi6 h LEU 246 N 0.43 -0.45 -0.06 2.25 5.85 -0.79 -1.50 115.31 121.05 1xi6 h LEU 246 Ca 0.22 0.07 0.04 0.00 0.84 0.00 0.00 57.88 59.04 1xi6 h LEU 246 Cb 0.16 0.20 -0.06 0.00 0.37 0.00 0.00 40.66 41.33 1xi6 h LEU 246 CO -0.18 -0.21 -0.42 0.11 -0.34 0.00 0.00 178.44 177.41 1xi6 h LYS 247 N -0.24 -0.52 -0.98 1.25 1.79 -0.73 -0.75 116.57 116.39 1xi6 h LYS 247 Ca 0.06 0.04 0.13 0.00 -2.18 0.00 0.00 60.65 58.70 1xi6 h LYS 247 Cb 0.32 0.12 -0.15 0.00 -1.58 0.00 0.00 32.23 30.94 1xi6 h LYS 247 CO -0.17 -0.34 -0.45 1.15 -1.08 0.00 0.00 179.45 178.55 1xi6 h THR 248 N -0.54 0.00 -0.43 -0.16 2.02 -0.90 -1.40 112.91 111.51 1xi6 h THR 248 Ca 0.06 0.00 -0.03 0.00 0.77 0.00 0.00 66.41 67.21 1xi6 h THR 248 Cb 0.64 0.00 -0.02 0.00 -1.74 0.00 0.00 68.15 67.04 1xi6 h THR 248 CO -0.35 0.00 0.15 0.40 0.37 0.00 0.00 175.52 176.09 1xi6 h ILE 249 N -0.01 1.21 0.00 3.11 2.04 -0.73 -3.52 117.51 119.61 1xi6 h ILE 249 Ca 0.28 -0.68 0.00 0.00 1.00 0.00 0.00 64.86 65.46 1xi6 h ILE 249 Cb 0.54 0.85 0.00 0.00 -0.74 0.00 0.00 36.82 37.47 1xi6 h ILE 249 CO -0.96 0.24 0.00 0.18 0.00 0.00 0.00 178.15 177.61