#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1qi8 s LEU 2 N 0.00 4.12 0.76 -0.89 1.43 -1.26 -5.08 118.68 117.76 1qi8 s LEU 2 Ca 0.00 0.50 -0.12 0.00 -1.03 0.00 0.00 54.13 53.48 1qi8 s LEU 2 Cb 0.00 -2.54 0.05 0.00 0.03 0.00 0.00 46.19 43.73 1qi8 s LEU 2 CO 0.00 -0.13 1.14 -0.94 0.23 0.00 0.00 176.35 176.65 1qi8 s SER 3 N 1.21 4.94 0.28 2.29 1.04 -1.26 -4.84 113.70 117.35 1qi8 s SER 3 Ca 0.19 0.95 -0.01 0.00 0.48 0.00 0.00 55.95 57.57 1qi8 s SER 3 Cb -0.15 -1.59 0.47 0.00 0.10 0.00 0.00 66.02 64.84 1qi8 s SER 3 CO 0.09 -1.65 1.88 -0.65 0.98 0.00 0.00 173.24 173.89 1qi8 h PRO 4 N -0.87 1.08 -0.42 4.02 0.11 -1.99 0.00 132.00 133.93 1qi8 h PRO 4 Ca -0.46 -0.06 -0.09 0.00 0.11 0.00 0.00 66.00 65.50 1qi8 h PRO 4 Cb 1.29 -0.24 -0.01 0.00 0.11 0.00 0.00 31.00 32.15 1qi8 h PRO 4 CO 0.65 0.71 -0.10 0.00 -0.21 0.00 0.00 178.00 179.05 1qi8 h ALA 5 N 1.48 0.58 -0.52 -0.75 0.00 -1.99 -1.32 119.26 116.73 1qi8 h ALA 5 Ca 0.44 -0.32 0.05 0.00 0.00 0.00 0.00 54.91 55.08 1qi8 h ALA 5 Cb 0.24 -0.15 -0.05 0.00 0.00 0.00 0.00 17.79 17.84 1qi8 h ALA 5 CO -0.19 0.45 0.25 -0.44 0.00 0.00 0.00 179.25 179.33 1qi8 h ASP 6 N 0.63 0.34 -0.61 0.00 3.32 -1.60 -0.88 116.42 117.61 1qi8 h ASP 6 Ca 0.11 0.04 -0.03 0.00 0.02 0.00 0.00 57.03 57.17 1qi8 h ASP 6 Cb 0.63 -0.02 -0.03 0.00 0.22 0.00 0.00 39.33 40.13 1qi8 h ASP 6 CO 0.04 0.23 0.28 0.11 -1.72 0.00 0.00 179.24 178.19 1qi8 h LYS 7 N 0.48 0.89 -0.31 3.56 1.57 -0.89 -0.16 116.57 121.71 1qi8 h LYS 7 Ca 0.24 -0.14 0.01 0.00 -1.87 0.00 0.00 60.65 58.89 1qi8 h LYS 7 Cb 0.17 -0.16 -0.02 0.00 0.08 0.00 0.00 32.23 32.31 1qi8 h LYS 7 CO -0.18 0.73 0.19 1.15 -0.57 0.00 0.00 179.45 180.76 1qi8 h THR 8 N 0.85 1.04 -0.31 -0.16 2.02 -0.97 -1.12 112.91 114.26 1qi8 h THR 8 Ca 0.21 -0.13 0.02 0.00 0.77 0.00 0.00 66.41 67.28 1qi8 h THR 8 Cb 0.14 0.63 -0.02 0.00 -1.74 0.00 0.00 68.15 67.16 1qi8 h THR 8 CO -0.02 0.07 0.17 0.78 0.37 0.00 0.00 175.52 176.88 1qi8 h ASN 9 N 0.38 0.26 -0.47 4.18 2.35 -0.87 -1.08 115.58 120.33 1qi8 h ASN 9 Ca 0.12 0.01 -0.02 0.00 -0.55 0.00 0.00 56.30 55.86 1qi8 h ASN 9 Cb -0.01 -0.04 -0.02 0.00 0.05 0.00 0.00 38.32 38.30 1qi8 h ASN 9 CO -0.05 0.19 0.21 0.58 -1.65 0.00 0.00 177.43 176.71 1qi8 h VAL 10 N 0.34 1.20 -0.68 2.81 2.07 -0.95 -0.87 116.25 120.16 1qi8 h VAL 10 Ca 0.13 -0.58 -0.06 0.00 0.82 0.00 0.00 66.70 67.00 1qi8 h VAL 10 Cb 0.03 0.70 -0.03 0.00 -1.52 0.00 0.00 31.29 30.47 1qi8 h VAL 10 CO -0.08 0.22 0.18 0.11 0.02 0.00 0.00 177.57 178.02 1qi8 h LYS 11 N 0.62 1.07 -0.28 1.57 1.57 -1.04 -0.93 116.57 119.15 1qi8 h LYS 11 Ca 0.16 -0.24 -0.05 0.00 -1.87 0.00 0.00 60.65 58.65 1qi8 h LYS 11 Cb 0.15 -0.15 -0.01 0.00 0.08 0.00 0.00 32.23 32.30 1qi8 h LYS 11 CO -0.02 0.94 -0.02 0.00 -0.57 0.00 0.00 179.45 179.79 1qi8 h ALA 12 N 1.16 0.38 -0.29 3.86 0.00 -1.05 -1.38 119.26 121.94 1qi8 h ALA 12 Ca 0.22 -0.24 -0.01 0.00 0.00 0.00 0.00 54.91 54.87 1qi8 h ALA 12 Cb 0.34 -0.10 -0.01 0.00 0.00 0.00 0.00 17.79 18.02 1qi8 h ALA 12 CO -0.00 0.15 0.13 0.00 0.00 0.00 0.00 179.25 179.53 1qi8 h ALA 13 N 0.82 0.38 -0.03 0.00 0.00 -0.99 -2.50 119.26 116.94 1qi8 h ALA 13 Ca 0.08 -0.10 -0.08 0.00 0.00 0.00 0.00 54.91 54.81 1qi8 h ALA 13 Cb 0.46 -0.12 -0.01 0.00 0.00 0.00 0.00 17.79 18.12 1qi8 h ALA 13 CO 0.02 -0.05 -0.34 2.35 0.00 0.00 0.00 179.25 181.23 1qi8 h TRP 14 N 0.33 0.06 -0.62 0.00 2.91 -1.19 -1.96 115.95 115.48 1qi8 h TRP 14 Ca 0.10 -0.01 -0.00 0.00 1.13 0.00 0.00 58.89 60.10 1qi8 h TRP 14 Cb 0.14 -0.02 -0.03 0.00 -0.51 0.00 0.00 29.16 28.74 1qi8 h TRP 14 CO -0.02 0.39 0.37 0.78 -1.03 0.00 0.00 178.44 178.94 1qi8 h GLY 15 N 1.05 0.90 2.00 2.65 0.00 -1.02 -2.26 103.07 106.39 1qi8 h GLY 15 Ca 0.00 -0.38 -0.09 0.00 0.00 0.00 0.00 47.33 46.87 1qi8 h GLY 15 CO 0.05 0.37 -0.42 1.70 0.00 0.00 0.00 176.54 178.23 1qi8 h LYS 16 N 0.84 0.00 -0.00 4.80 3.11 -0.92 -2.50 116.57 121.90 1qi8 h LYS 16 Ca 0.22 0.00 0.01 0.00 -2.81 0.00 0.00 60.65 58.08 1qi8 h LYS 16 Cb -0.02 0.00 -0.02 0.00 -1.00 0.00 0.00 32.23 31.19 1qi8 h LYS 16 CO -0.04 0.42 -0.08 0.28 -2.81 0.00 0.00 179.45 177.22 1qi8 h VAL 17 N 0.00 0.80 0.00 2.00 2.07 -1.00 -3.46 116.25 116.66 1qi8 h VAL 17 Ca -0.00 0.00 0.00 0.00 0.82 0.00 0.00 66.70 67.52 1qi8 h VAL 17 Cb 0.84 0.80 0.00 0.00 -1.52 0.00 0.00 31.29 31.41 1qi8 h VAL 17 CO 0.05 0.00 0.00 0.61 0.02 0.00 0.00 177.57 178.25 1qi8 n GLY 18 N -1.20 3.39 0.00 2.17 0.00 -0.89 -2.05 105.19 106.60 1qi8 n GLY 18 Ca -0.06 -0.11 0.06 0.00 0.00 0.00 0.00 46.02 45.92 1qi8 n GLY 18 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1qi8 n ALA 19 N 10.97 1.66 1.55 4.61 0.00 -1.26 -2.30 120.51 135.74 1qi8 n ALA 19 Ca 0.00 -0.05 0.14 0.00 0.00 0.00 0.00 53.44 53.53 1qi8 n ALA 19 Cb 0.00 -1.21 0.62 0.00 0.00 0.00 0.00 19.45 18.85 1qi8 n ALA 19 CO 0.00 0.00 0.00 0.72 0.00 0.00 0.00 177.50 178.22 1qi8 n HIS 20 N -1.43 0.00 -0.24 0.00 -0.00 -0.87 -4.46 115.22 108.21 1qi8 n HIS 20 Ca 0.04 0.00 0.05 0.00 -0.00 0.00 0.00 57.72 57.81 1qi8 n HIS 20 Cb 0.14 -0.06 0.17 0.00 -0.00 0.00 0.00 29.99 30.24 1qi8 n HIS 20 CO 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 176.34 176.34 1qi8 h ALA 21 N 4.02 0.92 -0.57 -1.41 0.00 -1.60 -1.60 119.26 119.02 1qi8 h ALA 21 Ca 0.00 0.16 -0.08 0.00 0.00 0.00 0.00 54.91 54.99 1qi8 h ALA 21 Cb 0.36 0.21 -0.02 0.00 0.00 0.00 0.00 17.79 18.34 1qi8 h ALA 21 CO 0.00 -0.32 0.05 0.78 0.00 0.00 0.00 179.25 179.76 1qi8 h GLY 22 N 0.28 1.04 0.53 0.00 0.00 -1.83 -0.08 103.07 103.01 1qi8 h GLY 22 Ca 0.40 -0.73 0.07 0.00 0.00 0.00 0.00 47.33 47.07 1qi8 h GLY 22 CO -0.48 0.68 0.22 -2.09 0.00 0.00 0.00 176.54 174.86 1qi8 h GLU 23 N 0.86 0.40 -0.16 4.80 4.81 -1.71 -2.02 114.58 121.56 1qi8 h GLU 23 Ca 0.17 -0.02 -0.16 0.00 -0.13 0.00 0.00 59.36 59.21 1qi8 h GLU 23 Cb 0.48 -0.09 -0.01 0.00 0.63 0.00 0.00 28.75 29.76 1qi8 h GLU 23 CO 0.02 0.27 -0.58 1.88 -0.73 0.00 0.00 179.01 179.86 1qi8 h TYR 24 N 0.42 0.67 -0.78 0.92 0.05 -1.03 -1.62 116.97 115.58 1qi8 h TYR 24 Ca 0.26 -0.25 0.03 0.00 0.05 0.00 0.00 58.73 58.82 1qi8 h TYR 24 Cb 0.27 -0.12 -0.05 0.00 1.01 0.00 0.00 36.73 37.84 1qi8 h TYR 24 CO -0.15 0.98 0.50 0.78 -1.05 0.00 0.00 178.16 179.22 1qi8 h GLY 25 N 1.10 1.12 0.89 3.88 0.00 -0.85 -1.41 103.07 107.80 1qi8 h GLY 25 Ca 0.00 -0.38 -0.03 0.00 0.00 0.00 0.00 47.33 46.92 1qi8 h GLY 25 CO 0.11 0.34 0.07 0.00 0.00 0.00 0.00 176.54 177.06 1qi8 h ALA 26 N 1.32 0.38 -0.41 3.60 0.00 -1.23 -2.24 119.26 120.68 1qi8 h ALA 26 Ca 0.31 -0.17 -0.03 0.00 0.00 0.00 0.00 54.91 55.02 1qi8 h ALA 26 Cb -0.02 -0.11 -0.02 0.00 0.00 0.00 0.00 17.79 17.64 1qi8 h ALA 26 CO -0.10 0.05 0.14 1.49 0.00 0.00 0.00 179.25 180.82 1qi8 h GLU 27 N 0.30 0.59 -0.38 0.00 4.81 -1.15 -1.29 114.58 117.46 1qi8 h GLU 27 Ca 0.09 -0.09 -0.03 0.00 -0.13 0.00 0.00 59.36 59.21 1qi8 h GLU 27 Cb 0.29 -0.11 -0.02 0.00 0.63 0.00 0.00 28.75 29.55 1qi8 h GLU 27 CO 0.00 0.51 0.13 0.00 -0.73 0.00 0.00 179.01 178.92 1qi8 h ALA 28 N 1.57 0.49 -0.73 2.92 0.00 -0.99 0.12 119.26 122.65 1qi8 h ALA 28 Ca 0.14 -0.15 -0.02 0.00 0.00 0.00 0.00 54.91 54.88 1qi8 h ALA 28 Cb 0.16 -0.15 -0.03 0.00 0.00 0.00 0.00 17.79 17.77 1qi8 h ALA 28 CO -0.01 0.12 0.37 1.88 0.00 0.00 0.00 179.25 181.61 1qi8 h TYR 29 N 0.46 1.03 -0.72 0.00 -1.99 -1.12 -0.73 116.97 113.91 1qi8 h TYR 29 Ca 0.12 -0.04 0.02 0.00 2.00 0.00 0.00 58.73 60.83 1qi8 h TYR 29 Cb 0.23 -0.32 -0.04 0.00 2.00 0.00 0.00 36.73 38.59 1qi8 h TYR 29 CO 0.00 0.75 0.47 1.49 -0.00 0.00 0.00 178.16 180.87 1qi8 h GLU 30 N 1.02 0.91 -0.64 4.88 4.81 -0.69 0.07 114.58 124.93 1qi8 h GLU 30 Ca 0.25 -0.05 -0.01 0.00 -0.13 0.00 0.00 59.36 59.42 1qi8 h GLU 30 Cb 0.09 -0.21 -0.03 0.00 0.63 0.00 0.00 28.75 29.23 1qi8 h GLU 30 CO -0.04 0.60 0.38 0.00 -0.73 0.00 0.00 179.01 179.22 1qi8 h ARG 31 N 0.94 0.88 -0.50 1.92 3.08 -0.63 -2.61 114.38 117.47 1qi8 h ARG 31 Ca 0.27 -0.09 -0.04 0.00 0.07 0.00 0.00 59.98 60.20 1qi8 h ARG 31 Cb -0.06 -0.18 -0.02 0.00 0.08 0.00 0.00 29.97 29.79 1qi8 h ARG 31 CO -0.08 0.64 0.16 1.98 -1.07 0.00 0.00 179.97 181.60 1qi8 h MET 32 N 0.87 0.77 -0.41 0.04 4.05 -0.65 -1.13 114.93 118.48 1qi8 h MET 32 Ca 0.23 -0.16 -0.04 0.00 -0.28 0.00 0.00 59.70 59.45 1qi8 h MET 32 Cb -0.00 -0.11 -0.02 0.00 -0.80 0.00 0.00 31.60 30.67 1qi8 h MET 32 CO -0.04 0.72 0.08 0.74 0.23 0.00 0.00 176.91 178.64 1qi8 h PHE 33 N 0.67 0.62 0.13 1.39 0.04 -0.79 -0.21 116.94 118.79 1qi8 h PHE 33 Ca 0.16 -0.05 -0.30 0.00 2.80 0.00 0.00 57.97 60.59 1qi8 h PHE 33 Cb 0.27 -0.18 -0.00 0.00 2.20 0.00 0.00 35.95 38.23 1qi8 h PHE 33 CO 0.01 0.54 -1.42 -0.07 -0.60 0.00 0.00 178.31 176.77 1qi8 h LEU 34 N 0.59 0.42 0.06 1.54 3.38 -1.29 -3.31 115.31 116.71 1qi8 h LEU 34 Ca 0.13 -0.52 -0.24 0.00 0.09 0.00 0.00 57.88 57.34 1qi8 h LEU 34 Cb 0.25 -0.14 0.02 0.00 0.09 0.00 0.00 40.66 40.88 1qi8 h LEU 34 CO -0.00 1.42 -0.98 0.28 0.09 0.00 0.00 178.44 179.26 1qi8 h SER 35 N 0.07 0.75 -3.31 -0.43 0.02 -1.13 -3.40 113.55 106.12 1qi8 h SER 35 Ca -0.20 -0.80 -0.62 0.00 -0.84 0.00 0.00 61.79 59.33 1qi8 h SER 35 Cb 2.01 -0.23 -0.41 0.00 0.14 0.00 0.00 62.40 63.91 1qi8 h SER 35 CO 0.18 1.47 -0.70 -0.36 -1.14 0.00 0.00 176.83 176.28 1qi8 s PHE 36 N -3.05 2.57 0.40 3.45 0.08 -0.10 -5.00 117.98 116.33 1qi8 s PHE 36 Ca -0.11 -2.84 0.39 0.00 0.12 0.00 0.00 56.93 54.49 1qi8 s PHE 36 Cb 0.05 -2.16 2.01 0.00 -0.57 0.00 0.00 43.02 42.35 1qi8 s PHE 36 CO 0.89 -0.70 2.19 -1.35 -0.10 0.00 0.00 175.22 176.15 1qi8 h PRO 37 N 6.05 0.00 0.00 0.24 0.11 -1.76 -1.72 132.00 134.92 1qi8 h PRO 37 Ca 0.08 0.00 -0.03 0.00 0.11 0.00 0.00 66.00 66.16 1qi8 h PRO 37 Cb 0.86 0.00 -0.00 0.00 0.11 0.00 0.00 31.00 31.96 1qi8 h PRO 37 CO 0.58 0.00 -0.14 1.79 -0.21 0.00 0.00 178.00 180.01 1qi8 h THR 38 N 0.00 0.77 0.00 -1.15 1.35 -1.92 -1.79 112.91 110.17 1qi8 h THR 38 Ca 0.00 -0.57 0.00 0.00 -0.55 0.00 0.00 66.41 65.29 1qi8 h THR 38 Cb 0.14 1.34 0.00 0.00 -1.73 0.00 0.00 68.15 67.91 1qi8 h THR 38 CO 0.00 0.14 0.00 0.35 -0.25 0.00 0.00 175.52 175.76 1qi8 n THR 39 N -3.88 0.86 0.37 6.82 -2.24 -0.65 -2.32 114.28 113.25 1qi8 n THR 39 Ca -0.02 0.22 0.12 0.00 -2.27 0.00 0.00 64.05 62.10 1qi8 n THR 39 Cb 0.24 -1.11 0.52 0.00 -2.10 0.00 0.00 70.33 67.88 1qi8 n THR 39 CO 0.00 0.00 0.00 0.11 -0.57 0.00 0.00 175.07 174.61 1qi8 h LYS 40 N 0.00 0.00 0.00 -0.78 1.57 -1.52 -2.92 116.57 112.92 1qi8 h LYS 40 Ca 0.00 0.00 -0.01 0.00 -1.87 0.00 0.00 60.65 58.77 1qi8 h LYS 40 Cb 0.35 0.00 -0.00 0.00 0.08 0.00 0.00 32.23 32.66 1qi8 h LYS 40 CO 0.00 0.00 -0.05 1.79 -0.57 0.00 0.00 179.45 180.62 1qi8 h THR 41 N 0.00 0.32 -0.01 -0.16 1.35 -1.66 -2.18 112.91 110.57 1qi8 h THR 41 Ca 0.00 -0.33 0.00 0.00 -0.55 0.00 0.00 66.41 65.53 1qi8 h THR 41 Cb 0.35 1.24 0.00 0.00 -1.73 0.00 0.00 68.15 68.02 1qi8 h THR 41 CO 0.00 0.05 -0.04 -1.22 -0.25 0.00 0.00 175.52 174.07 1qi8 n TYR 42 N -3.42 0.00 -2.90 4.73 4.01 -1.10 -4.32 117.16 114.15 1qi8 n TYR 42 Ca -0.02 0.00 -0.19 0.00 -0.16 0.00 0.00 57.90 57.54 1qi8 n TYR 42 Cb 0.19 -0.06 -0.01 0.00 -0.31 0.00 0.00 39.34 39.15 1qi8 n TYR 42 CO 0.00 0.00 0.00 1.19 -0.46 0.00 0.00 176.86 177.59 1qi8 n PHE 43 N -0.59 1.63 0.27 -0.72 3.01 -0.82 -4.90 117.46 115.35 1qi8 n PHE 43 Ca 0.19 -3.48 0.15 0.00 1.01 0.00 0.00 57.45 55.32 1qi8 n PHE 43 Cb 0.24 -0.38 0.74 0.00 -0.01 0.00 0.00 39.48 40.08 1qi8 n PHE 43 CO 0.00 0.00 0.00 -1.00 1.01 0.00 0.00 176.76 176.77 1qi8 h PRO 44 N 2.94 0.00 -0.25 -1.08 0.13 -1.75 -2.61 132.00 129.38 1qi8 h PRO 44 Ca 0.08 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.21 1qi8 h PRO 44 Cb 0.93 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.06 1qi8 h PRO 44 CO 0.61 0.08 0.00 -2.39 -0.23 0.00 0.00 178.00 176.07 1qi8 n HIS 45 N -3.34 0.32 -3.98 1.56 1.44 -1.26 -4.91 115.22 105.05 1qi8 n HIS 45 Ca -0.01 -0.16 -0.33 0.00 -2.01 0.00 0.00 57.72 55.21 1qi8 n HIS 45 Cb 0.27 0.00 -0.06 0.00 0.12 0.00 0.00 29.99 30.32 1qi8 n HIS 45 CO 0.00 0.00 0.00 -0.06 -2.81 0.00 0.00 176.34 173.47 1qi8 s PHE 46 N -1.68 3.43 -0.36 -1.40 0.40 -0.99 -5.07 117.98 112.31 1qi8 s PHE 46 Ca 0.31 0.28 -0.24 0.00 -0.60 0.00 0.00 56.93 56.68 1qi8 s PHE 46 Cb 0.17 -1.78 0.01 0.00 0.51 0.00 0.00 43.02 41.93 1qi8 s PHE 46 CO 0.24 0.60 0.83 0.34 0.70 0.00 0.00 175.22 177.93 1qi8 s ASP 47 N -1.95 6.60 -0.07 1.36 -1.08 -1.26 -4.93 116.67 115.34 1qi8 s ASP 47 Ca 0.27 0.44 0.17 0.00 -0.52 0.00 0.00 52.55 52.91 1qi8 s ASP 47 Cb -0.12 -2.42 0.61 0.00 -1.46 0.00 0.00 42.92 39.53 1qi8 s ASP 47 CO 0.18 -0.76 1.51 0.18 0.52 0.00 0.00 175.17 176.80 1qi8 n LEU 48 N 6.51 3.98 -4.79 -1.34 4.77 -1.26 -4.57 117.00 120.31 1qi8 n LEU 48 Ca 0.04 -2.00 -0.32 0.00 -0.03 0.00 0.00 56.01 53.70 1qi8 n LEU 48 Cb 0.48 -0.51 0.06 0.00 -2.33 0.00 0.00 43.42 41.12 1qi8 n LEU 48 CO 0.55 0.77 0.71 -0.94 -1.33 0.00 0.00 177.39 177.15 1qi8 s SER 49 N -0.89 5.10 0.21 -1.43 1.04 -1.26 -4.91 113.70 111.55 1qi8 s SER 49 Ca 0.44 1.78 -0.32 0.00 0.48 0.00 0.00 55.95 58.33 1qi8 s SER 49 Cb 0.27 -2.52 -0.13 0.00 0.10 0.00 0.00 66.02 63.74 1qi8 s SER 49 CO 0.24 -1.64 1.51 1.57 0.98 0.00 0.00 173.24 175.91 1qi8 n HIS 50 N -2.99 2.30 -0.07 5.02 -0.00 -1.26 -1.55 115.22 116.67 1qi8 n HIS 50 Ca 0.09 0.33 0.00 0.00 0.46 0.00 0.00 57.72 58.59 1qi8 n HIS 50 Cb 0.53 -2.52 0.00 0.00 -0.12 0.00 0.00 29.99 27.88 1qi8 n HIS 50 CO 0.00 0.00 0.00 0.41 0.46 0.00 0.00 176.34 177.21 1qi8 n GLY 51 N 2.79 0.99 3.61 1.57 0.00 -1.26 -5.02 105.19 107.87 1qi8 n GLY 51 Ca 0.14 0.00 -0.53 0.00 0.00 0.00 0.00 46.02 45.63 1qi8 n GLY 51 CO 0.00 0.00 0.00 -1.26 0.00 0.00 0.00 173.32 172.06 1qi8 n SER 52 N 0.00 1.86 0.25 1.61 2.88 -0.60 -4.87 113.62 114.75 1qi8 n SER 52 Ca 0.00 1.11 0.12 0.00 -1.33 0.00 0.00 58.87 58.77 1qi8 n SER 52 Cb 0.00 -1.20 0.60 0.00 -0.75 0.00 0.00 64.21 62.86 1qi8 n SER 52 CO 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 175.04 173.81 1qi8 h ALA 53 N 5.12 1.09 -0.12 -1.46 0.00 -1.90 -1.11 119.26 120.88 1qi8 h ALA 53 Ca -0.47 -0.14 -0.20 0.00 0.00 0.00 0.00 54.91 54.09 1qi8 h ALA 53 Cb 1.33 -0.02 0.00 0.00 0.00 0.00 0.00 17.79 19.10 1qi8 h ALA 53 CO 0.81 0.19 -0.74 1.96 0.00 0.00 0.00 179.25 181.48 1qi8 h GLN 54 N 0.00 0.60 -0.47 0.00 4.20 -1.89 -1.43 115.11 116.12 1qi8 h GLN 54 Ca -0.00 -0.49 -0.13 0.00 0.06 0.00 0.00 58.65 58.09 1qi8 h GLN 54 Cb 0.57 0.10 -0.01 0.00 0.30 0.00 0.00 27.48 28.43 1qi8 h GLN 54 CO 0.02 1.11 -0.22 0.28 -0.67 0.00 0.00 178.83 179.35 1qi8 h VAL 55 N 0.42 1.27 -1.00 -0.54 2.07 -1.66 -1.00 116.25 115.81 1qi8 h VAL 55 Ca -0.04 -1.38 0.01 0.00 0.82 0.00 0.00 66.70 66.12 1qi8 h VAL 55 Cb 1.34 1.13 -0.05 0.00 -1.52 0.00 0.00 31.29 32.19 1qi8 h VAL 55 CO 0.14 0.47 0.66 0.11 0.02 0.00 0.00 177.57 178.98 1qi8 h LYS 56 N 0.84 1.31 -0.34 1.57 1.57 -1.13 -0.01 116.57 120.37 1qi8 h LYS 56 Ca 0.11 -0.08 -0.07 0.00 -1.87 0.00 0.00 60.65 58.74 1qi8 h LYS 56 Cb 0.79 -0.30 -0.01 0.00 0.08 0.00 0.00 32.23 32.79 1qi8 h LYS 56 CO 0.07 0.87 -0.06 0.78 -0.57 0.00 0.00 179.45 180.53 1qi8 h GLY 57 N 1.35 0.69 0.98 3.86 0.00 -0.82 -1.97 103.07 107.17 1qi8 h GLY 57 Ca 0.37 -0.56 -0.04 0.00 0.00 0.00 0.00 47.33 47.10 1qi8 h GLY 57 CO -0.08 0.51 0.18 -1.61 0.00 0.00 0.00 176.54 175.54 1qi8 h GLN 58 N 0.43 0.82 -0.99 4.80 5.75 -1.01 -2.15 115.11 122.77 1qi8 h GLN 58 Ca 0.09 -0.17 0.05 0.00 -0.15 0.00 0.00 58.65 58.47 1qi8 h GLN 58 Cb 0.55 -0.12 -0.06 0.00 1.07 0.00 0.00 27.48 28.91 1qi8 h GLN 58 CO 0.03 0.75 0.65 0.78 -2.65 0.00 0.00 178.83 178.38 1qi8 h GLY 59 N 0.73 1.47 0.87 2.39 0.00 -0.81 -2.02 103.07 105.71 1qi8 h GLY 59 Ca 0.17 -0.49 -0.08 0.00 0.00 0.00 0.00 47.33 46.94 1qi8 h GLY 59 CO -0.01 0.39 -0.15 1.70 0.00 0.00 0.00 176.54 178.48 1qi8 h LYS 60 N 1.22 0.55 -0.54 4.80 3.64 -1.18 -0.91 116.57 124.15 1qi8 h LYS 60 Ca 0.41 -0.25 0.03 0.00 -1.27 0.00 0.00 60.65 59.56 1qi8 h LYS 60 Cb 0.06 -0.01 -0.04 0.00 -0.41 0.00 0.00 32.23 31.83 1qi8 h LYS 60 CO -0.14 0.82 0.32 0.87 -2.27 0.00 0.00 179.45 179.04 1qi8 h LYS 61 N 0.27 0.61 -0.54 1.90 1.57 -1.23 -0.15 116.57 119.00 1qi8 h LYS 61 Ca 0.05 -0.04 -0.09 0.00 -1.87 0.00 0.00 60.65 58.70 1qi8 h LYS 61 Cb 0.66 -0.14 -0.02 0.00 0.08 0.00 0.00 32.23 32.82 1qi8 h LYS 61 CO 0.04 0.41 -0.03 0.28 -0.57 0.00 0.00 179.45 179.58 1qi8 h VAL 62 N 0.63 1.27 -0.39 0.50 2.07 -1.29 -1.59 116.25 117.45 1qi8 h VAL 62 Ca 0.22 -1.15 -0.12 0.00 0.82 0.00 0.00 66.70 66.47 1qi8 h VAL 62 Cb 0.04 0.92 -0.01 0.00 -1.52 0.00 0.00 31.29 30.71 1qi8 h VAL 62 CO -0.11 0.41 -0.26 0.00 0.02 0.00 0.00 177.57 177.64 1qi8 h ALA 63 N 0.95 0.82 -0.60 1.67 0.00 -0.97 -0.65 119.26 120.48 1qi8 h ALA 63 Ca 0.15 -0.39 -0.06 0.00 0.00 0.00 0.00 54.91 54.61 1qi8 h ALA 63 Cb 0.57 -0.15 -0.03 0.00 0.00 0.00 0.00 17.79 18.19 1qi8 h ALA 63 CO 0.03 0.64 0.13 -0.44 0.00 0.00 0.00 179.25 179.61 1qi8 h ASP 64 N 0.69 0.89 -0.85 0.00 3.32 -0.86 0.09 116.42 119.69 1qi8 h ASP 64 Ca 0.09 -0.18 -0.02 0.00 0.02 0.00 0.00 57.03 56.94 1qi8 h ASP 64 Cb 0.79 -0.23 -0.04 0.00 0.22 0.00 0.00 39.33 40.06 1qi8 h ASP 64 CO 0.06 0.87 0.44 0.00 -1.72 0.00 0.00 179.24 178.90 1qi8 h ALA 65 N 1.24 1.09 -0.30 3.45 0.00 -0.73 -2.24 119.26 121.76 1qi8 h ALA 65 Ca 0.19 -0.14 -0.12 0.00 0.00 0.00 0.00 54.91 54.83 1qi8 h ALA 65 Cb 0.35 -0.34 -0.01 0.00 0.00 0.00 0.00 17.79 17.79 1qi8 h ALA 65 CO 0.00 0.62 -0.32 -0.07 0.00 0.00 0.00 179.25 179.48 1qi8 h LEU 66 N 1.19 0.67 -0.55 0.00 3.38 -0.54 -1.36 115.31 118.11 1qi8 h LEU 66 Ca 0.29 -0.27 0.02 0.00 0.09 0.00 0.00 57.88 58.01 1qi8 h LEU 66 Cb 0.07 -0.19 -0.03 0.00 0.09 0.00 0.00 40.66 40.60 1qi8 h LEU 66 CO -0.04 0.95 0.34 0.74 0.09 0.00 0.00 178.44 180.52 1qi8 h THR 67 N 0.55 1.09 -0.54 0.22 2.02 -0.69 0.18 112.91 115.74 1qi8 h THR 67 Ca 0.06 -0.24 0.04 0.00 0.77 0.00 0.00 66.41 67.05 1qi8 h THR 67 Cb 0.82 0.34 -0.04 0.00 -1.74 0.00 0.00 68.15 67.53 1qi8 h THR 67 CO 0.07 0.13 0.29 -1.13 0.37 0.00 0.00 175.52 175.25 1qi8 h ASN 68 N 0.69 0.44 -0.58 4.18 -1.24 -1.23 -1.90 115.58 115.95 1qi8 h ASN 68 Ca 0.21 0.02 -0.00 0.00 0.71 0.00 0.00 56.30 57.24 1qi8 h ASN 68 Cb -0.02 -0.07 -0.03 0.00 0.73 0.00 0.00 38.32 38.94 1qi8 h ASN 68 CO -0.08 0.30 0.35 0.00 -1.29 0.00 0.00 177.43 176.71 1qi8 h ALA 69 N 1.27 0.73 -0.72 1.57 0.00 -0.83 -1.69 119.26 119.60 1qi8 h ALA 69 Ca 0.23 -0.07 0.01 0.00 0.00 0.00 0.00 54.91 55.08 1qi8 h ALA 69 Cb 0.10 -0.23 -0.04 0.00 0.00 0.00 0.00 17.79 17.63 1qi8 h ALA 69 CO -0.14 0.22 0.47 0.28 0.00 0.00 0.00 179.25 180.08 1qi8 h VAL 70 N 0.78 1.18 0.00 0.00 2.07 -0.65 -1.65 116.25 117.98 1qi8 h VAL 70 Ca 0.21 -0.33 -0.02 0.00 0.82 0.00 0.00 66.70 67.37 1qi8 h VAL 70 Cb -0.02 0.13 -0.00 0.00 -1.52 0.00 0.00 31.29 29.88 1qi8 h VAL 70 CO -0.04 0.18 -0.10 0.00 0.02 0.00 0.00 177.57 177.62 1qi8 h ALA 71 N 1.26 1.12 -0.82 1.67 0.00 -1.08 -2.91 119.26 118.50 1qi8 h ALA 71 Ca 0.26 -0.09 -0.53 0.00 0.00 0.00 0.00 54.91 54.55 1qi8 h ALA 71 Cb -0.11 -0.02 -0.43 0.00 0.00 0.00 0.00 17.79 17.23 1qi8 h ALA 71 CO -0.06 0.13 -0.84 0.72 0.00 0.00 0.00 179.25 179.21 1qi8 n HIS 72 N -3.38 2.70 0.34 0.00 8.25 -0.66 -4.88 115.22 117.59 1qi8 n HIS 72 Ca -0.01 -2.32 0.22 0.00 -0.26 0.00 0.00 57.72 55.35 1qi8 n HIS 72 Cb 0.28 -0.30 1.21 0.00 1.12 0.00 0.00 29.99 32.30 1qi8 n HIS 72 CO 0.00 0.00 0.00 -0.24 0.64 0.00 0.00 176.34 176.74 1qi8 h VAL 73 N 2.49 0.04 -0.02 1.59 3.04 -1.10 -0.08 116.25 122.21 1qi8 h VAL 73 Ca 0.32 0.00 0.00 0.00 -1.01 0.00 0.00 66.70 66.01 1qi8 h VAL 73 Cb 1.44 1.00 0.00 0.00 -2.01 0.00 0.00 31.29 31.72 1qi8 h VAL 73 CO 0.72 0.00 -0.13 0.47 -1.01 0.00 0.00 177.57 177.62 1qi8 n ASP 74 N -3.13 1.90 -2.51 3.17 8.00 -1.26 -4.27 116.55 118.45 1qi8 n ASP 74 Ca -0.03 -1.51 -0.04 0.00 0.71 0.00 0.00 54.79 53.92 1qi8 n ASP 74 Cb 0.07 0.11 0.05 0.00 -0.02 0.00 0.00 41.12 41.32 1qi8 n ASP 74 CO 0.00 0.00 0.00 -0.67 -0.39 0.00 0.00 177.20 176.14 1qi8 n ASP 75 N 0.29 2.10 -0.25 -2.24 2.03 -0.08 -4.97 116.55 113.45 1qi8 n ASP 75 Ca 0.15 -2.37 -0.06 0.00 0.52 0.00 0.00 54.79 53.03 1qi8 n ASP 75 Cb 0.44 -0.44 0.05 0.00 -0.72 0.00 0.00 41.12 40.45 1qi8 n ASP 75 CO 0.00 0.00 0.00 0.24 -1.92 0.00 0.00 177.20 175.52 1qi8 h MET 76 N 2.33 1.00 -0.81 -0.67 2.86 -1.65 -2.51 114.93 115.48 1qi8 h MET 76 Ca -0.06 -0.15 0.06 0.00 -2.06 0.00 0.00 59.70 57.49 1qi8 h MET 76 Cb 1.37 -0.18 -0.06 0.00 0.06 0.00 0.00 31.60 32.80 1qi8 h MET 76 CO 0.27 0.79 0.49 -1.35 1.06 0.00 0.00 176.91 178.17 1qi8 h PRO 77 N 0.96 0.88 -0.14 -0.22 0.11 -1.93 0.05 132.00 131.71 1qi8 h PRO 77 Ca 0.23 -0.05 -0.21 0.00 0.11 0.00 0.00 66.00 66.08 1qi8 h PRO 77 Cb 0.14 -0.20 0.01 0.00 0.11 0.00 0.00 31.00 31.05 1qi8 h PRO 77 CO -0.03 0.58 -0.76 -0.97 -0.21 0.00 0.00 178.00 176.61 1qi8 h ASN 78 N 0.90 0.82 -0.07 -2.05 -0.73 -1.94 -2.63 115.58 109.89 1qi8 h ASN 78 Ca 0.35 -0.54 -0.10 0.00 1.87 0.00 0.00 56.30 57.89 1qi8 h ASN 78 Cb 0.16 -0.24 -0.01 0.00 0.27 0.00 0.00 38.32 38.49 1qi8 h ASN 78 CO -0.17 1.32 -0.24 0.00 -0.37 0.00 0.00 177.43 177.97 1qi8 h ALA 79 N 0.66 1.10 -0.57 1.57 0.00 -1.03 -2.69 119.26 118.29 1qi8 h ALA 79 Ca -0.05 -0.34 0.00 0.00 0.00 0.00 0.00 54.91 54.52 1qi8 h ALA 79 Cb 1.37 -0.12 0.00 0.00 0.00 0.00 0.00 17.79 19.04 1qi8 h ALA 79 CO 0.15 0.56 0.00 1.28 0.00 0.00 0.00 179.25 181.24 1qi8 n LEU 80 N -4.13 4.75 -0.29 0.00 4.77 -0.03 -4.66 117.00 117.41 1qi8 n LEU 80 Ca -0.00 -2.40 -0.05 0.00 -0.03 0.00 0.00 56.01 53.53 1qi8 n LEU 80 Cb 0.40 -0.60 0.07 0.00 -2.33 0.00 0.00 43.42 40.96 1qi8 n LEU 80 CO 0.42 0.69 1.14 -1.28 -1.33 0.00 0.00 177.39 177.03 1qi8 h SER 81 N 3.73 1.00 -0.31 -1.43 0.87 -1.11 0.26 113.55 116.56 1qi8 h SER 81 Ca 0.00 -0.10 -0.09 0.00 -1.23 0.00 0.00 61.79 60.37 1qi8 h SER 81 Cb 1.54 -0.25 -0.02 0.00 -0.44 0.00 0.00 62.40 63.23 1qi8 h SER 81 CO 0.30 0.81 -0.12 0.00 -0.53 0.00 0.00 176.83 177.29 1qi8 h ALA 82 N 1.23 1.02 -0.11 6.23 0.00 -1.83 -2.17 119.26 123.63 1qi8 h ALA 82 Ca 0.28 -0.32 -0.13 0.00 0.00 0.00 0.00 54.91 54.74 1qi8 h ALA 82 Cb 0.03 -0.17 -0.01 0.00 0.00 0.00 0.00 17.79 17.64 1qi8 h ALA 82 CO -0.05 0.59 -0.52 -0.07 0.00 0.00 0.00 179.25 179.21 1qi8 h LEU 83 N 0.67 0.34 -0.73 0.00 3.38 -1.68 -1.44 115.31 115.84 1qi8 h LEU 83 Ca 0.11 -0.17 -0.14 0.00 0.09 0.00 0.00 57.88 57.78 1qi8 h LEU 83 Cb 0.59 -0.10 -0.01 0.00 0.09 0.00 0.00 40.66 41.23 1qi8 h LEU 83 CO 0.04 0.80 -0.56 0.77 0.09 0.00 0.00 178.44 179.57 1qi8 h SER 84 N 0.24 0.24 -0.24 -0.43 4.64 -0.66 -2.33 113.55 115.02 1qi8 h SER 84 Ca 0.01 -0.13 -0.02 0.00 -0.47 0.00 0.00 61.79 61.18 1qi8 h SER 84 Cb 0.99 -0.07 -0.01 0.00 -0.31 0.00 0.00 62.40 63.01 1qi8 h SER 84 CO 0.08 0.75 0.06 0.44 -0.87 0.00 0.00 176.83 177.30 1qi8 h ASP 85 N 0.16 0.35 0.00 4.97 3.32 -1.30 -1.99 116.42 121.94 1qi8 h ASP 85 Ca -0.00 -0.23 -0.00 0.00 0.02 0.00 0.00 57.03 56.82 1qi8 h ASP 85 Cb 1.04 -0.09 0.00 0.00 0.22 0.00 0.00 39.33 40.50 1qi8 h ASP 85 CO 0.09 0.49 -0.00 0.25 -1.72 0.00 0.00 179.24 178.34 1qi8 h LEU 86 N 0.20 -0.00 -0.89 1.55 5.85 -1.14 -0.78 115.31 120.10 1qi8 h LEU 86 Ca 0.07 -0.02 -0.09 0.00 0.84 0.00 0.00 57.88 58.69 1qi8 h LEU 86 Cb 0.27 0.00 -0.02 0.00 0.37 0.00 0.00 40.66 41.28 1qi8 h LEU 86 CO 0.00 0.01 -0.15 0.45 -0.34 0.00 0.00 178.44 178.41 1qi8 h HIS 87 N -0.02 0.71 -0.16 1.25 3.86 -1.43 -1.02 115.15 118.35 1qi8 h HIS 87 Ca -0.00 -0.13 -0.14 0.00 -1.16 0.00 0.00 60.37 58.94 1qi8 h HIS 87 Cb 0.02 -0.18 0.00 0.00 1.06 0.00 0.00 27.41 28.31 1qi8 h HIS 87 CO -0.07 0.76 -0.43 0.00 0.86 0.00 0.00 177.93 179.05 1qi8 h ALA 88 N 1.25 0.26 0.00 2.45 0.00 -1.24 0.21 119.26 122.19 1qi8 h ALA 88 Ca 0.10 -0.47 0.00 0.00 0.00 0.00 0.00 54.91 54.54 1qi8 h ALA 88 Cb 0.60 -0.03 0.00 0.00 0.00 0.00 0.00 17.79 18.35 1qi8 h ALA 88 CO 0.04 0.39 -1.18 0.72 0.00 0.00 0.00 179.25 179.22 1qi8 n HIS 89 N -4.25 0.00 0.04 0.00 8.25 -0.31 -4.57 115.22 114.38 1qi8 n HIS 89 Ca -0.07 0.00 0.00 0.00 -0.26 0.00 0.00 57.72 57.39 1qi8 n HIS 89 Cb 0.56 -0.15 0.00 0.00 1.12 0.00 0.00 29.99 31.52 1qi8 n HIS 89 CO 0.00 0.00 0.00 1.17 0.64 0.00 0.00 176.34 178.15 1qi8 n LYS 90 N -1.67 0.00 -0.02 -0.41 3.00 -0.68 -4.88 118.16 113.50 1qi8 n LYS 90 Ca 0.01 0.00 -0.16 0.00 -0.00 0.00 0.00 58.31 58.16 1qi8 n LYS 90 Cb 0.34 -0.43 -0.09 0.00 0.00 0.00 0.00 35.03 34.85 1qi8 n LYS 90 CO 0.00 0.00 0.00 -0.07 0.00 0.00 0.00 177.40 177.33 1qi8 h LEU 91 N 0.00 0.59 -1.82 3.14 3.38 -1.34 -3.48 115.31 115.79 1qi8 h LEU 91 Ca 0.00 -0.67 -0.38 0.00 0.09 0.00 0.00 57.88 56.92 1qi8 h LEU 91 Cb 0.33 -0.18 0.10 0.00 0.09 0.00 0.00 40.66 41.00 1qi8 h LEU 91 CO 0.00 1.17 -0.81 0.54 0.09 0.00 0.00 178.44 179.43 1qi8 n ARG 92 N -4.23 -5.25 -2.50 1.13 1.74 0.74 -4.94 116.66 103.34 1qi8 n ARG 92 Ca -0.09 0.71 -0.42 0.00 -0.77 0.00 0.00 57.85 57.28 1qi8 n ARG 92 Cb 0.62 -5.42 -0.03 0.00 -1.02 0.00 0.00 32.46 26.61 1qi8 n ARG 92 CO 0.00 0.00 0.00 0.08 -1.52 0.00 0.00 177.63 176.19 1qi8 s VAL 93 N -3.54 4.26 0.40 1.55 1.01 -1.26 -4.97 120.40 117.85 1qi8 s VAL 93 Ca 0.04 1.63 -0.27 0.00 0.00 0.00 0.00 61.98 63.38 1qi8 s VAL 93 Cb -0.01 -4.05 -0.10 0.00 0.00 0.00 0.00 36.38 32.22 1qi8 s VAL 93 CO 0.78 0.13 1.48 -0.62 0.00 0.00 0.00 175.10 176.88 1qi8 s ASP 94 N 1.00 6.19 0.56 3.32 -1.08 -1.26 -4.85 116.67 120.55 1qi8 s ASP 94 Ca 0.56 3.04 0.24 0.00 -0.52 0.00 0.00 52.55 55.88 1qi8 s ASP 94 Cb -0.27 -2.67 1.52 0.00 -1.46 0.00 0.00 42.92 40.05 1qi8 s ASP 94 CO 0.29 -0.97 2.13 -0.65 0.52 0.00 0.00 175.17 176.49 1qi8 h PRO 95 N 2.80 0.00 0.00 4.34 0.11 -2.00 -1.78 132.00 135.47 1qi8 h PRO 95 Ca -0.51 0.00 -0.00 0.00 0.11 0.00 0.00 66.00 65.60 1qi8 h PRO 95 Cb 1.25 0.00 -0.00 0.00 0.11 0.00 0.00 31.00 32.36 1qi8 h PRO 95 CO 0.63 0.00 -0.02 0.28 -0.21 0.00 0.00 178.00 178.68 1qi8 h VAL 96 N 0.00 0.71 0.00 3.15 2.07 -2.04 -2.61 116.25 117.54 1qi8 h VAL 96 Ca 0.07 -0.07 -0.05 0.00 0.82 0.00 0.00 66.70 67.47 1qi8 h VAL 96 Cb 0.31 1.04 -0.01 0.00 -1.52 0.00 0.00 31.29 31.12 1qi8 h VAL 96 CO -0.00 0.02 -0.22 0.78 0.02 0.00 0.00 177.57 178.17 1qi8 h ASN 97 N 0.00 0.00 0.38 0.57 2.35 -1.68 -2.83 115.58 114.37 1qi8 h ASN 97 Ca -0.00 0.00 -0.06 0.00 -0.55 0.00 0.00 56.30 55.69 1qi8 h ASN 97 Cb 0.04 0.00 -0.01 0.00 0.05 0.00 0.00 38.32 38.40 1qi8 h ASN 97 CO 0.00 0.22 -0.28 -0.26 -1.65 0.00 0.00 177.43 175.47 1qi8 h PHE 98 N 0.00 0.00 -0.69 1.19 -1.00 -1.64 -2.04 116.94 112.76 1qi8 h PHE 98 Ca -0.00 0.00 -0.07 0.00 2.81 0.00 0.00 57.97 60.70 1qi8 h PHE 98 Cb 0.79 0.00 -0.03 0.00 3.61 0.00 0.00 35.95 40.32 1qi8 h PHE 98 CO 0.00 0.28 0.15 0.87 -1.61 0.00 0.00 178.31 177.99 1qi8 h LYS 99 N 0.00 1.12 -0.30 1.51 1.57 -1.66 -1.24 116.57 117.57 1qi8 h LYS 99 Ca -0.00 -0.28 -0.10 0.00 -1.87 0.00 0.00 60.65 58.40 1qi8 h LYS 99 Cb 0.54 -0.14 -0.01 0.00 0.08 0.00 0.00 32.23 32.70 1qi8 h LYS 99 CO 0.04 1.00 -0.20 -0.07 -0.57 0.00 0.00 179.45 179.65 1qi8 h LEU 100 N 1.06 0.69 -0.71 2.94 3.38 -1.50 -1.72 115.31 119.45 1qi8 h LEU 100 Ca 0.21 -0.43 -0.12 0.00 0.09 0.00 0.00 57.88 57.63 1qi8 h LEU 100 Cb 0.40 -0.19 -0.01 0.00 0.09 0.00 0.00 40.66 40.95 1qi8 h LEU 100 CO 0.01 0.98 -0.34 0.25 0.09 0.00 0.00 178.44 179.42 1qi8 h LEU 101 N 0.41 0.63 -0.42 1.67 6.46 -1.32 -2.41 115.31 120.33 1qi8 h LEU 101 Ca 0.06 -0.26 0.01 0.00 -0.12 0.00 0.00 57.88 57.57 1qi8 h LEU 101 Cb 0.74 -0.18 -0.02 0.00 -0.73 0.00 0.00 40.66 40.47 1qi8 h LEU 101 CO 0.05 0.93 0.27 0.28 -0.62 0.00 0.00 178.44 179.35 1qi8 h SER 102 N 0.51 0.45 -0.45 1.25 0.02 -1.17 0.21 113.55 114.37 1qi8 h SER 102 Ca 0.06 -0.01 0.06 0.00 -0.84 0.00 0.00 61.79 61.06 1qi8 h SER 102 Cb 0.84 -0.11 -0.05 0.00 0.14 0.00 0.00 62.40 63.22 1qi8 h SER 102 CO 0.07 0.33 0.14 -0.74 -1.14 0.00 0.00 176.83 175.49 1qi8 h HIS 103 N 0.55 0.25 -0.20 3.45 -0.00 -1.15 -1.19 115.15 116.85 1qi8 h HIS 103 Ca 0.16 0.02 -0.04 0.00 -0.00 0.00 0.00 60.37 60.52 1qi8 h HIS 103 Cb -0.04 -0.04 -0.01 0.00 -0.00 0.00 0.00 27.41 27.32 1qi8 h HIS 103 CO -0.06 0.07 -0.03 0.00 -0.00 0.00 0.00 177.93 177.92 1qi8 h LEU 105 N 0.30 -0.30 -0.43 0.00 5.85 -0.17 -2.07 115.31 118.50 1qi8 h LEU 105 Ca 0.07 0.02 0.00 0.00 0.84 0.00 0.00 57.88 58.81 1qi8 h LEU 105 Cb 0.26 0.09 -0.02 0.00 0.37 0.00 0.00 40.66 41.36 1qi8 h LEU 105 CO 0.01 -0.19 0.27 -0.07 -0.34 0.00 0.00 178.44 178.12 1qi8 h LEU 106 N -0.29 0.50 -1.02 2.25 3.38 -0.57 -0.74 115.31 118.82 1qi8 h LEU 106 Ca -0.01 -0.03 0.10 0.00 0.09 0.00 0.00 57.88 58.02 1qi8 h LEU 106 Cb 0.25 -0.13 -0.08 0.00 0.09 0.00 0.00 40.66 40.80 1qi8 h LEU 106 CO 0.01 0.39 0.64 0.58 0.09 0.00 0.00 178.44 180.14 1qi8 h VAL 107 N 0.57 0.98 -0.27 1.22 2.07 -1.04 -0.45 116.25 119.33 1qi8 h VAL 107 Ca 0.15 -0.36 -0.09 0.00 0.82 0.00 0.00 66.70 67.22 1qi8 h VAL 107 Cb -0.03 -0.17 -0.01 0.00 -1.52 0.00 0.00 31.29 29.56 1qi8 h VAL 107 CO -0.03 0.19 -0.20 0.74 0.02 0.00 0.00 177.57 178.29 1qi8 h THR 108 N 1.06 1.31 -0.69 2.57 2.02 -1.01 -1.37 112.91 116.80 1qi8 h THR 108 Ca 0.47 -1.33 -0.06 0.00 0.77 0.00 0.00 66.41 66.26 1qi8 h THR 108 Cb 0.38 1.58 -0.03 0.00 -1.74 0.00 0.00 68.15 68.33 1qi8 h THR 108 CO -0.23 0.42 0.19 -0.07 0.37 0.00 0.00 175.52 176.20 1qi8 h LEU 109 N 0.34 1.02 -0.69 2.58 3.38 -0.80 -2.51 115.31 118.63 1qi8 h LEU 109 Ca 0.05 -0.22 0.04 0.00 0.09 0.00 0.00 57.88 57.84 1qi8 h LEU 109 Cb 0.74 -0.27 -0.05 0.00 0.09 0.00 0.00 40.66 41.17 1qi8 h LEU 109 CO 0.05 0.97 0.42 0.00 0.09 0.00 0.00 178.44 179.98 1qi8 h ALA 110 N 1.08 0.91 0.00 1.53 0.00 -0.89 0.17 119.26 122.06 1qi8 h ALA 110 Ca 0.22 -0.01 -0.02 0.00 0.00 0.00 0.00 54.91 55.10 1qi8 h ALA 110 Cb 0.34 -0.20 -0.00 0.00 0.00 0.00 0.00 17.79 17.92 1qi8 h ALA 110 CO -0.00 0.17 -0.09 0.00 0.00 0.00 0.00 179.25 179.33 1qi8 h ALA 111 N 1.31 1.06 0.00 0.00 0.00 -0.97 -3.31 119.26 117.34 1qi8 h ALA 111 Ca 0.28 -0.08 0.00 0.00 0.00 0.00 0.00 54.91 55.11 1qi8 h ALA 111 Cb 0.06 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 17.84 1qi8 h ALA 111 CO -0.13 0.11 -1.05 0.72 0.00 0.00 0.00 179.25 178.91 1qi8 n HIS 112 N -3.28 0.00 -3.19 0.00 -0.00 -0.89 -4.80 115.22 103.07 1qi8 n HIS 112 Ca -0.00 0.00 -0.26 0.00 -0.00 0.00 0.00 57.72 57.46 1qi8 n HIS 112 Cb 0.31 -0.13 -0.06 0.00 -0.00 0.00 0.00 29.99 30.11 1qi8 n HIS 112 CO 0.00 0.00 0.00 1.28 -0.00 0.00 0.00 176.34 177.62 1qi8 n LEU 113 N -1.59 3.27 -0.04 2.41 4.77 0.53 -4.97 117.00 121.39 1qi8 n LEU 113 Ca -0.00 -5.40 -0.08 0.00 -0.03 0.00 0.00 56.01 50.50 1qi8 n LEU 113 Cb 0.21 -0.31 -0.02 0.00 -2.33 0.00 0.00 43.42 40.97 1qi8 n LEU 113 CO 0.20 2.20 0.78 1.55 -1.33 0.00 0.00 177.39 180.78 1qi8 h PRO 114 N 3.58 -0.10 -0.62 3.23 0.13 -1.82 -1.18 132.00 135.22 1qi8 h PRO 114 Ca 0.15 0.01 -0.04 0.00 -0.87 0.00 0.00 66.00 65.24 1qi8 h PRO 114 Cb 0.66 0.02 -0.03 0.00 0.13 0.00 0.00 31.00 31.79 1qi8 h PRO 114 CO 0.75 -0.07 0.22 0.00 -0.23 0.00 0.00 178.00 178.67 1qi8 h ALA 115 N 1.05 1.21 0.00 -0.56 0.00 -1.94 -3.19 119.26 115.83 1qi8 h ALA 115 Ca 0.11 -0.18 -0.11 0.00 0.00 0.00 0.00 54.91 54.73 1qi8 h ALA 115 Cb 0.28 -0.25 -0.02 0.00 0.00 0.00 0.00 17.79 17.80 1qi8 h ALA 115 CO -0.27 0.56 -0.81 0.93 0.00 0.00 0.00 179.25 179.66 1qi8 h GLU 116 N 0.90 0.00 -3.68 0.00 3.07 -1.90 -3.40 114.58 109.57 1qi8 h GLU 116 Ca 0.21 0.00 -0.72 0.00 -0.50 0.00 0.00 59.36 58.35 1qi8 h GLU 116 Cb 0.22 0.00 -0.06 0.00 -0.84 0.00 0.00 28.75 28.07 1qi8 h GLU 116 CO -0.01 0.35 2.93 0.34 -1.40 0.00 0.00 179.01 181.22 1qi8 n PHE 117 N -3.06 3.20 -1.75 4.33 7.35 -0.47 -4.75 117.46 122.30 1qi8 n PHE 117 Ca -0.02 -2.94 -0.30 0.00 -0.76 0.00 0.00 57.45 53.43 1qi8 n PHE 117 Cb 0.74 -2.37 0.08 0.00 0.35 0.00 0.00 39.48 38.28 1qi8 n PHE 117 CO 0.00 0.00 0.00 0.95 -0.76 0.00 0.00 176.76 176.95 1qi8 s THR 118 N 2.17 2.89 0.24 -2.13 -4.23 -1.26 -4.75 115.64 108.58 1qi8 s THR 118 Ca 0.48 0.29 -0.05 0.00 -1.18 0.00 0.00 61.69 61.24 1qi8 s THR 118 Cb 0.14 -3.18 0.20 0.00 1.34 0.00 0.00 72.50 71.00 1qi8 s THR 118 CO -0.06 -0.38 1.76 -0.65 -0.54 0.00 0.00 174.62 174.75 1qi8 h PRO 119 N -0.96 0.55 -0.32 3.99 0.11 -1.99 0.70 132.00 134.09 1qi8 h PRO 119 Ca -0.46 -0.03 -0.10 0.00 0.11 0.00 0.00 66.00 65.51 1qi8 h PRO 119 Cb 1.28 -0.13 -0.01 0.00 0.11 0.00 0.00 31.00 32.25 1qi8 h PRO 119 CO 0.63 0.37 -0.23 0.00 -0.21 0.00 0.00 178.00 178.56 1qi8 h ALA 120 N 1.49 1.01 -0.09 -0.75 0.00 -1.97 -1.72 119.26 117.23 1qi8 h ALA 120 Ca 0.39 -0.35 -0.22 0.00 0.00 0.00 0.00 54.91 54.74 1qi8 h ALA 120 Cb 0.50 -0.14 0.01 0.00 0.00 0.00 0.00 17.79 18.16 1qi8 h ALA 120 CO -0.32 0.59 -0.82 0.28 0.00 0.00 0.00 179.25 178.98 1qi8 h VAL 121 N 0.54 1.32 -0.61 0.00 2.07 -1.67 -1.74 116.25 116.17 1qi8 h VAL 121 Ca 0.08 -2.12 0.05 0.00 0.82 0.00 0.00 66.70 65.54 1qi8 h VAL 121 Cb 0.68 2.12 -0.05 0.00 -1.52 0.00 0.00 31.29 32.52 1qi8 h VAL 121 CO 0.05 0.65 0.32 -0.74 0.02 0.00 0.00 177.57 177.88 1qi8 h HIS 122 N 0.40 0.60 -0.63 1.57 6.17 -0.75 -0.22 115.15 122.29 1qi8 h HIS 122 Ca -0.06 0.02 -0.06 0.00 0.71 0.00 0.00 60.37 60.99 1qi8 h HIS 122 Cb 1.43 -0.18 -0.03 0.00 2.52 0.00 0.00 27.41 31.16 1qi8 h HIS 122 CO 0.07 0.29 0.18 0.00 0.71 0.00 0.00 177.93 179.17 1qi8 h ALA 123 N 1.32 0.83 -0.69 5.26 0.00 -1.18 -1.31 119.26 123.48 1qi8 h ALA 123 Ca 0.27 -0.22 -0.08 0.00 0.00 0.00 0.00 54.91 54.88 1qi8 h ALA 123 Cb 0.17 -0.24 -0.03 0.00 0.00 0.00 0.00 17.79 17.69 1qi8 h ALA 123 CO -0.17 0.52 0.14 0.77 0.00 0.00 0.00 179.25 180.51 1qi8 h SER 124 N 0.92 1.08 -0.51 0.00 0.02 -0.91 -2.19 113.55 111.97 1qi8 h SER 124 Ca 0.20 -0.25 -0.09 0.00 -0.84 0.00 0.00 61.79 60.82 1qi8 h SER 124 Cb 0.33 -0.29 -0.02 0.00 0.14 0.00 0.00 62.40 62.56 1qi8 h SER 124 CO -0.00 1.05 -0.03 -0.07 -1.14 0.00 0.00 176.83 176.64 1qi8 h LEU 125 N 1.06 0.90 -0.83 5.07 3.38 -0.84 -0.72 115.31 123.33 1qi8 h LEU 125 Ca 0.21 -0.32 -0.04 0.00 0.09 0.00 0.00 57.88 57.82 1qi8 h LEU 125 Cb 0.41 -0.24 -0.04 0.00 0.09 0.00 0.00 40.66 40.89 1qi8 h LEU 125 CO 0.01 1.01 0.32 -0.78 0.09 0.00 0.00 178.44 179.09 1qi8 h ASP 126 N 0.78 1.09 -0.82 -0.43 3.58 -1.06 -0.10 116.42 119.45 1qi8 h ASP 126 Ca 0.14 -0.16 -0.03 0.00 0.42 0.00 0.00 57.03 57.39 1qi8 h ASP 126 Cb 0.56 -0.28 -0.04 0.00 1.72 0.00 0.00 39.33 41.29 1qi8 h ASP 126 CO 0.03 0.96 0.38 0.11 -2.88 0.00 0.00 179.24 177.84 1qi8 h LYS 127 N 1.15 1.19 -0.48 0.28 1.57 -1.15 -2.05 116.57 117.08 1qi8 h LYS 127 Ca 0.27 -0.18 -0.12 0.00 -1.87 0.00 0.00 60.65 58.75 1qi8 h LYS 127 Cb 0.20 -0.21 -0.01 0.00 0.08 0.00 0.00 32.23 32.29 1qi8 h LYS 127 CO -0.02 0.92 -0.15 0.35 -0.57 0.00 0.00 179.45 179.98 1qi8 h PHE 128 N 1.17 1.08 -0.03 -1.35 3.57 -0.82 -1.29 116.94 119.28 1qi8 h PHE 128 Ca 0.28 -0.24 -0.10 0.00 3.53 0.00 0.00 57.97 61.43 1qi8 h PHE 128 Cb 0.14 -0.26 -0.01 0.00 2.79 0.00 0.00 35.95 38.61 1qi8 h PHE 128 CO 0.01 1.04 -0.46 -0.07 -2.23 0.00 0.00 178.31 176.60 1qi8 h LEU 129 N 0.81 0.06 -0.66 0.59 3.38 -0.89 -0.31 115.31 118.30 1qi8 h LEU 129 Ca 0.12 -0.03 -0.10 0.00 0.09 0.00 0.00 57.88 57.96 1qi8 h LEU 129 Cb 0.71 -0.02 -0.02 0.00 0.09 0.00 0.00 40.66 41.43 1qi8 h LEU 129 CO 0.05 0.52 -0.10 0.00 0.09 0.00 0.00 178.44 179.01 1qi8 h ALA 130 N 1.48 0.86 -0.52 1.53 0.00 -1.24 0.83 119.26 122.20 1qi8 h ALA 130 Ca 0.00 -0.34 -0.05 0.00 0.00 0.00 0.00 54.91 54.53 1qi8 h ALA 130 Cb 0.84 -0.19 -0.02 0.00 0.00 0.00 0.00 17.79 18.42 1qi8 h ALA 130 CO 0.06 0.65 0.15 0.77 0.00 0.00 0.00 179.25 180.88 1qi8 h SER 131 N 0.85 0.77 0.10 0.00 0.02 -0.20 -1.14 113.55 113.96 1qi8 h SER 131 Ca 0.14 -0.22 0.00 0.00 -0.84 0.00 0.00 61.79 60.87 1qi8 h SER 131 Cb 0.63 -0.20 -0.01 0.00 0.14 0.00 0.00 62.40 62.96 1qi8 h SER 131 CO 0.04 0.79 -0.08 0.58 -1.14 0.00 0.00 176.83 177.02 1qi8 h VAL 132 N 0.72 0.82 -0.90 2.27 2.07 -0.97 -1.35 116.25 118.91 1qi8 h VAL 132 Ca 0.17 0.00 0.09 0.00 0.82 0.00 0.00 66.70 67.78 1qi8 h VAL 132 Cb 0.30 0.82 -0.06 0.00 -1.52 0.00 0.00 31.29 30.83 1qi8 h VAL 132 CO -0.00 0.00 0.58 0.28 0.02 0.00 0.00 177.57 178.45 1qi8 h SER 133 N -0.19 0.82 -0.55 0.57 0.02 -0.68 -0.53 113.55 113.00 1qi8 h SER 133 Ca -0.00 0.02 -0.02 0.00 -0.84 0.00 0.00 61.79 60.95 1qi8 h SER 133 Cb 0.17 -0.15 -0.03 0.00 0.14 0.00 0.00 62.40 62.54 1qi8 h SER 133 CO -0.01 0.48 0.28 0.74 -1.14 0.00 0.00 176.83 177.18 1qi8 h THR 134 N 0.90 1.20 -0.49 -2.27 2.02 -0.96 -2.20 112.91 111.12 1qi8 h THR 134 Ca 0.41 -0.54 -0.07 0.00 0.77 0.00 0.00 66.41 66.98 1qi8 h THR 134 Cb 0.39 0.54 -0.02 0.00 -1.74 0.00 0.00 68.15 67.32 1qi8 h THR 134 CO -0.18 0.22 0.02 0.58 0.37 0.00 0.00 175.52 176.53 1qi8 h VAL 135 N 0.74 1.24 0.00 3.16 2.07 -0.75 -2.22 116.25 120.50 1qi8 h VAL 135 Ca 0.19 -0.98 -0.01 0.00 0.82 0.00 0.00 66.70 66.72 1qi8 h VAL 135 Cb 0.10 0.85 -0.00 0.00 -1.52 0.00 0.00 31.29 30.71 1qi8 h VAL 135 CO -0.03 0.35 -0.05 -0.07 0.02 0.00 0.00 177.57 177.79 1qi8 h LEU 136 N 0.75 0.00 -2.55 2.57 3.38 -0.78 -2.42 115.31 116.25 1qi8 h LEU 136 Ca 0.15 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.12 1qi8 h LEU 136 Cb 0.43 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.18 1qi8 h LEU 136 CO 0.02 0.05 0.00 0.35 0.09 0.00 0.00 178.44 178.95 1qi8 n THR 137 N -3.16 0.77 0.28 0.22 -2.24 -0.86 -4.58 114.28 104.72 1qi8 n THR 137 Ca 0.01 -0.89 0.17 0.00 -2.27 0.00 0.00 64.05 61.08 1qi8 n THR 137 Cb 0.36 0.69 0.70 0.00 -2.10 0.00 0.00 70.33 69.98 1qi8 n THR 137 CO 0.00 0.00 0.00 0.77 -0.57 0.00 0.00 175.07 175.27 1qi8 h SER 138 N 2.73 0.00 -0.45 3.42 4.64 -0.88 -2.81 113.55 120.22 1qi8 h SER 138 Ca 0.00 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.32 1qi8 h SER 138 Cb 0.76 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.85 1qi8 h SER 138 CO 0.00 0.00 0.00 0.29 -0.87 0.00 0.00 176.83 176.25 1qi8 n LYS 139 N -3.09 3.40 0.21 4.77 4.76 -1.26 -4.61 118.16 122.33 1qi8 n LYS 139 Ca 0.00 -2.72 0.06 0.00 -2.87 0.00 0.00 58.31 52.78 1qi8 n LYS 139 Cb 0.30 -1.78 0.46 0.00 -1.84 0.00 0.00 35.03 32.17 1qi8 n LYS 139 CO 0.00 0.00 0.00 1.88 -1.37 0.00 0.00 177.40 177.91 1qi8 h TYR 140 N 2.86 0.00 0.00 2.13 -1.99 -1.83 -3.46 116.97 114.68 1qi8 h TYR 140 Ca 0.00 0.00 0.00 0.00 2.00 0.00 0.00 58.73 60.73 1qi8 h TYR 140 Cb 1.35 0.00 0.00 0.00 2.00 0.00 0.00 36.73 40.08 1qi8 h TYR 140 CO 0.59 0.29 0.00 2.89 -0.00 0.00 0.00 178.16 181.94