#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3nqo n TYR 3 N 0.00 0.78 -0.00 2.11 4.01 -1.26 -4.80 117.16 118.00 3nqo n TYR 3 Ca 0.00 -1.18 -0.11 0.00 -0.16 0.00 0.00 57.90 56.45 3nqo n TYR 3 Cb 0.00 -0.34 -0.05 0.00 -0.31 0.00 0.00 39.34 38.63 3nqo n TYR 3 CO 0.00 0.00 0.00 0.66 -0.46 0.00 0.00 176.86 177.06 3nqo h SER 4 N 1.17 0.11 -0.92 7.72 4.64 -2.05 -0.28 113.55 123.94 3nqo h SER 4 Ca 0.08 -0.02 0.06 0.00 -0.47 0.00 0.00 61.79 61.43 3nqo h SER 4 Cb 1.42 -0.03 -0.06 0.00 -0.31 0.00 0.00 62.40 63.43 3nqo h SER 4 CO 0.23 0.09 0.60 -1.13 -0.87 0.00 0.00 176.83 175.75 3nqo h ASN 5 N 0.12 0.95 -0.37 4.97 -0.73 -1.99 -0.05 115.58 118.46 3nqo h ASN 5 Ca 0.03 0.00 -0.08 0.00 1.87 0.00 0.00 56.30 58.13 3nqo h ASN 5 Cb 0.00 -0.20 -0.01 0.00 0.27 0.00 0.00 38.32 38.38 3nqo h ASN 5 CO -0.01 0.62 -0.08 -0.33 -0.37 0.00 0.00 177.43 177.26 3nqo h GLU 6 N 1.08 0.71 -0.81 6.67 3.07 -1.79 -1.71 114.58 121.79 3nqo h GLU 6 Ca 0.38 -0.27 0.02 0.00 -0.50 0.00 0.00 59.36 59.00 3nqo h GLU 6 Cb 0.14 -0.04 -0.05 0.00 -0.84 0.00 0.00 28.75 27.96 3nqo h GLU 6 CO -0.14 0.85 0.52 -0.07 -1.40 0.00 0.00 179.01 178.78 3nqo h LEU 7 N 0.51 0.88 -0.33 1.33 3.38 -0.53 0.54 115.31 121.07 3nqo h LEU 7 Ca 0.09 -0.01 -0.01 0.00 0.09 0.00 0.00 57.88 58.04 3nqo h LEU 7 Cb 0.59 -0.20 -0.02 0.00 0.09 0.00 0.00 40.66 41.12 3nqo h LEU 7 CO 0.03 0.61 0.16 0.11 0.09 0.00 0.00 178.44 179.45 3nqo h LYS 8 N 1.03 0.48 -0.43 1.13 1.57 -0.85 0.12 116.57 119.63 3nqo h LYS 8 Ca 0.31 -0.07 -0.05 0.00 -1.87 0.00 0.00 60.65 58.97 3nqo h LYS 8 Cb -0.03 -0.09 -0.02 0.00 0.08 0.00 0.00 32.23 32.17 3nqo h LYS 8 CO -0.10 0.43 0.06 0.93 -0.57 0.00 0.00 179.45 180.21 3nqo h GLU 9 N 0.41 0.71 -0.26 3.15 5.08 -1.06 -2.31 114.58 120.30 3nqo h GLU 9 Ca 0.12 -0.20 0.01 0.00 -1.00 0.00 0.00 59.36 58.29 3nqo h GLU 9 Cb 0.11 -0.08 -0.01 0.00 0.50 0.00 0.00 28.75 29.26 3nqo h GLU 9 CO -0.02 0.75 0.16 1.25 -1.00 0.00 0.00 179.01 180.15 3nqo h LEU 10 N 0.57 0.27 -0.69 1.33 5.85 -0.72 -2.82 115.31 119.08 3nqo h LEU 10 Ca 0.13 -0.00 0.06 0.00 0.84 0.00 0.00 57.88 58.91 3nqo h LEU 10 Cb 0.39 -0.06 -0.06 0.00 0.37 0.00 0.00 40.66 41.30 3nqo h LEU 10 CO 0.01 0.19 0.39 0.15 -0.34 0.00 0.00 178.44 178.84 3nqo h PHE 11 N 0.33 0.71 0.00 1.25 3.04 -0.88 0.48 116.94 121.87 3nqo h PHE 11 Ca 0.10 0.03 0.00 0.00 3.98 0.00 0.00 57.97 62.07 3nqo h PHE 11 Cb -0.02 -0.22 0.00 0.00 2.56 0.00 0.00 35.95 38.27 3nqo h PHE 11 CO -0.07 0.33 0.00 -0.11 -2.02 0.00 0.00 178.31 176.44 3nqo n LEU 12 N -4.78 0.97 0.00 0.59 7.94 -0.88 -1.49 117.00 119.35 3nqo n LEU 12 Ca 0.09 -0.48 0.00 0.00 -1.11 0.00 0.00 56.01 54.51 3nqo n LEU 12 Cb 0.19 -0.22 0.00 0.00 0.53 0.00 0.00 43.42 43.91 3nqo n LEU 12 CO 0.29 0.18 0.00 0.59 -1.11 0.00 0.00 177.39 177.33 3nqo n ASN 14 N 0.56 0.00 -0.13 1.96 4.13 0.16 -1.87 115.26 120.07 3nqo n ASN 14 Ca 0.00 0.00 -0.07 0.00 1.68 0.00 0.00 54.58 56.19 3nqo n ASN 14 Cb 0.18 0.00 0.10 0.00 -1.54 0.00 0.00 39.78 38.52 3nqo n ASN 14 CO 0.00 0.00 0.00 1.56 0.28 0.00 0.00 177.26 179.10 3nqo h GLN 15 N 0.00 0.86 -0.21 3.52 1.08 -1.52 0.42 115.11 119.25 3nqo h GLN 15 Ca 0.00 -0.28 -0.03 0.00 -1.45 0.00 0.00 58.65 56.89 3nqo h GLN 15 Cb 0.00 -0.08 -0.01 0.00 -0.05 0.00 0.00 27.48 27.34 3nqo h GLN 15 CO 0.00 0.90 0.00 1.15 -0.95 0.00 0.00 178.83 179.94 3nqo h THR 16 N 0.79 1.25 0.06 -0.54 2.02 -1.65 -0.28 112.91 114.57 3nqo h THR 16 Ca 0.14 -0.86 -0.00 0.00 0.77 0.00 0.00 66.41 66.46 3nqo h THR 16 Cb 0.56 1.41 -0.00 0.00 -1.74 0.00 0.00 68.15 68.38 3nqo h THR 16 CO 0.03 0.26 -0.04 0.22 0.37 0.00 0.00 175.52 176.37 3nqo h TYR 17 N 0.13 -0.10 -0.56 3.16 5.03 -1.82 -0.49 116.97 122.33 3nqo h TYR 17 Ca 0.06 -0.00 0.11 0.00 2.58 0.00 0.00 58.73 61.48 3nqo h TYR 17 Cb 0.39 0.04 -0.09 0.00 1.55 0.00 0.00 36.73 38.61 3nqo h TYR 17 CO 0.03 -0.06 0.02 0.00 -1.32 0.00 0.00 178.16 176.83 3nqo h ALA 18 N 0.84 0.56 -0.32 1.82 0.00 -0.82 -2.08 119.26 119.25 3nqo h ALA 18 Ca -0.01 0.16 -0.12 0.00 0.00 0.00 0.00 54.91 54.95 3nqo h ALA 18 Cb 0.08 0.27 -0.01 0.00 0.00 0.00 0.00 17.79 18.13 3nqo h ALA 18 CO 0.01 -0.38 -0.28 1.15 0.00 0.00 0.00 179.25 179.75 3nqo h THR 19 N 0.14 1.28 -0.38 0.00 2.02 -0.73 -1.20 112.91 114.04 3nqo h THR 19 Ca 0.29 -1.40 0.02 0.00 0.77 0.00 0.00 66.41 66.09 3nqo h THR 19 Cb 0.45 1.33 -0.03 0.00 -1.74 0.00 0.00 68.15 68.17 3nqo h THR 19 CO -0.46 0.46 0.21 0.25 0.37 0.00 0.00 175.52 176.35 3nqo h LEU 20 N 0.58 0.34 -0.11 2.58 5.85 -0.75 -0.62 115.31 123.18 3nqo h LEU 20 Ca 0.07 0.01 -0.24 0.00 0.84 0.00 0.00 57.88 58.56 3nqo h LEU 20 Cb 0.78 -0.06 0.01 0.00 0.37 0.00 0.00 40.66 41.76 3nqo h LEU 20 CO 0.06 0.25 -0.92 -0.26 -0.34 0.00 0.00 178.44 177.23 3nqo h PHE 21 N 0.43 0.98 -0.04 1.25 -1.00 -1.07 -1.91 116.94 115.58 3nqo h PHE 21 Ca 0.15 -0.49 -0.14 0.00 2.81 0.00 0.00 57.97 60.31 3nqo h PHE 21 Cb 0.02 -0.13 -0.01 0.00 3.61 0.00 0.00 35.95 39.44 3nqo h PHE 21 CO -0.08 1.32 -0.59 1.79 -1.61 0.00 0.00 178.31 179.14 3nqo h THR 22 N 0.42 1.40 -0.36 -1.55 1.35 -1.24 -2.04 112.91 110.88 3nqo h THR 22 Ca -0.09 -1.97 -0.01 0.00 -0.55 0.00 0.00 66.41 63.79 3nqo h THR 22 Cb 1.55 2.02 -0.02 0.00 -1.73 0.00 0.00 68.15 69.97 3nqo h THR 22 CO 0.18 0.57 0.19 0.25 -0.25 0.00 0.00 175.52 176.46 3nqo h LEU 23 N 0.11 0.46 -0.54 3.87 5.85 -1.07 -1.88 115.31 122.11 3nqo h LEU 23 Ca -0.00 -0.11 -0.16 0.00 0.84 0.00 0.00 57.88 58.45 3nqo h LEU 23 Cb 1.07 -0.12 -0.02 0.00 0.37 0.00 0.00 40.66 41.96 3nqo h LEU 23 CO 0.09 0.44 -0.73 0.71 -0.34 0.00 0.00 178.44 178.61 3nqo h THR 24 N 0.45 1.50 -0.69 1.05 1.35 -1.20 -0.08 112.91 115.29 3nqo h THR 24 Ca 0.13 -2.43 0.09 0.00 -0.55 0.00 0.00 66.41 63.65 3nqo h THR 24 Cb 0.09 2.31 -0.07 0.00 -1.73 0.00 0.00 68.15 68.75 3nqo h THR 24 CO -0.02 0.70 0.34 0.78 -0.25 0.00 0.00 175.52 177.07 3nqo h ASN 25 N 0.03 0.44 -0.19 5.36 2.35 -1.28 -0.76 115.58 121.52 3nqo h ASN 25 Ca -0.01 0.06 -0.16 0.00 -0.55 0.00 0.00 56.30 55.64 3nqo h ASN 25 Cb 1.28 -0.01 0.00 0.00 0.05 0.00 0.00 38.32 39.65 3nqo h ASN 25 CO 0.10 0.25 -0.51 0.50 -1.65 0.00 0.00 177.43 176.12 3nqo h LYS 26 N 0.58 0.68 -0.48 0.81 3.64 -0.68 -2.68 116.57 118.44 3nqo h LYS 26 Ca 0.34 -0.48 -0.08 0.00 -1.27 0.00 0.00 60.65 59.16 3nqo h LYS 26 Cb 0.36 0.07 -0.02 0.00 -0.41 0.00 0.00 32.23 32.23 3nqo h LYS 26 CO -0.27 1.10 -0.04 0.82 -2.27 0.00 0.00 179.45 178.79 3nqo h ILE 27 N 0.38 1.25 0.25 2.00 1.08 -0.97 0.15 117.51 121.65 3nqo h ILE 27 Ca -0.01 -1.08 -0.01 0.00 -0.39 0.00 0.00 64.86 63.37 3nqo h ILE 27 Cb 1.12 0.92 0.00 0.00 -3.07 0.00 0.00 36.82 35.80 3nqo h ILE 27 CO 0.11 0.38 -0.12 -0.61 -0.69 0.00 0.00 178.15 177.22 3nqo h GLN 28 N 0.76 -0.32 -0.58 2.37 4.15 -1.17 0.20 115.11 120.52 3nqo h GLN 28 Ca 0.14 0.02 0.01 0.00 0.77 0.00 0.00 58.65 59.59 3nqo h GLN 28 Cb 0.51 0.07 -0.03 0.00 0.21 0.00 0.00 27.48 28.24 3nqo h GLN 28 CO 0.03 -0.16 0.37 0.82 -1.93 0.00 0.00 178.83 177.96 3nqo h ILE 29 N -0.41 1.13 -0.60 2.39 1.08 -1.11 -0.44 117.51 119.54 3nqo h ILE 29 Ca -0.03 -0.26 -0.09 0.00 -0.39 0.00 0.00 64.86 64.08 3nqo h ILE 29 Cb 0.31 0.30 -0.02 0.00 -3.07 0.00 0.00 36.82 34.34 3nqo h ILE 29 CO 0.06 0.14 0.01 -0.33 -0.69 0.00 0.00 178.15 177.34 3nqo h GLU 30 N 0.76 1.04 -0.51 2.37 4.39 -0.65 -2.34 114.58 119.64 3nqo h GLU 30 Ca 0.22 -0.32 -0.05 0.00 0.34 0.00 0.00 59.36 59.55 3nqo h GLU 30 Cb -0.06 -0.10 -0.02 0.00 -0.10 0.00 0.00 28.75 28.47 3nqo h GLU 30 CO -0.06 1.01 0.13 0.78 -1.16 0.00 0.00 179.01 179.71 3nqo h GLY 31 N 1.00 0.87 0.16 -3.84 0.00 -0.38 -1.37 103.07 99.51 3nqo h GLY 31 Ca 0.17 -0.54 0.12 0.00 0.00 0.00 0.00 47.33 47.08 3nqo h GLY 31 CO 0.03 0.50 0.17 -0.55 0.00 0.00 0.00 176.54 176.69 3nqo h ASP 32 N 0.70 0.06 -0.52 0.19 3.32 -0.93 -0.97 116.42 118.27 3nqo h ASP 32 Ca 0.16 0.11 -0.05 0.00 0.02 0.00 0.00 57.03 57.28 3nqo h ASP 32 Cb 0.32 0.14 -0.02 0.00 0.22 0.00 0.00 39.33 39.99 3nqo h ASP 32 CO 0.00 0.03 0.14 0.11 -1.72 0.00 0.00 179.24 177.80 3nqo h LYS 33 N 0.30 0.82 0.57 3.56 1.57 -0.99 -1.00 116.57 121.40 3nqo h LYS 33 Ca 0.34 -0.19 -0.03 0.00 -1.87 0.00 0.00 60.65 58.90 3nqo h LYS 33 Cb 0.51 -0.11 0.01 0.00 0.08 0.00 0.00 32.23 32.72 3nqo h LYS 33 CO -0.41 0.78 -0.27 1.88 -0.57 0.00 0.00 179.45 180.85 3nqo h TYR 34 N 0.72 -0.71 -0.50 -1.35 -1.99 -0.93 -3.28 116.97 108.93 3nqo h TYR 34 Ca 0.16 -0.02 -0.01 0.00 2.00 0.00 0.00 58.73 60.86 3nqo h TYR 34 Cb 0.31 0.23 -0.02 0.00 2.00 0.00 0.00 36.73 39.25 3nqo h TYR 34 CO 0.02 -0.40 0.26 0.74 -0.00 0.00 0.00 178.16 178.78 3nqo h PHE 35 N -0.88 0.70 0.00 4.88 0.04 -1.19 -3.46 116.94 117.03 3nqo h PHE 35 Ca -0.08 -0.02 0.00 0.00 2.80 0.00 0.00 57.97 60.67 3nqo h PHE 35 Cb 0.63 -0.22 0.00 0.00 2.20 0.00 0.00 35.95 38.56 3nqo h PHE 35 CO -0.01 0.54 0.00 0.41 -0.60 0.00 0.00 178.31 178.64 3nqo n GLY 36 N -0.97 1.61 0.11 -1.45 0.00 -0.38 -4.23 105.19 99.88 3nqo n GLY 36 Ca 0.02 -0.06 0.09 0.00 0.00 0.00 0.00 46.02 46.07 3nqo n GLY 36 CO 0.00 0.00 0.00 0.29 0.00 0.00 0.00 173.32 173.61 3nqo n ILE 37 N 0.00 0.00 -4.26 -0.61 -5.35 -1.26 -4.88 119.36 102.99 3nqo n ILE 37 Ca 0.00 -0.12 -0.15 0.00 -0.27 0.00 0.00 62.75 62.21 3nqo n ILE 37 Cb 0.00 1.06 -0.10 0.00 -1.74 0.00 0.00 39.64 38.86 3nqo n ILE 37 CO 0.00 0.00 0.00 -0.76 -1.76 0.00 0.00 176.55 174.03 3nqo s LEU 38 N -2.72 2.48 0.70 7.28 1.43 -1.26 -5.13 118.68 121.46 3nqo s LEU 38 Ca 0.09 -1.04 -0.09 0.00 -1.03 0.00 0.00 54.13 52.07 3nqo s LEU 38 Cb 0.14 -0.34 0.05 0.00 0.03 0.00 0.00 46.19 46.07 3nqo s LEU 38 CO 0.69 -0.35 1.04 0.42 0.23 0.00 0.00 176.35 178.38 3nqo s THR 39 N -3.33 2.73 0.17 5.49 -4.23 -1.26 -4.67 115.64 110.54 3nqo s THR 39 Ca 0.19 -0.01 -0.13 0.00 -1.18 0.00 0.00 61.69 60.55 3nqo s THR 39 Cb 0.03 -3.19 0.07 0.00 1.34 0.00 0.00 72.50 70.75 3nqo s THR 39 CO 0.02 -0.22 1.78 0.28 -0.54 0.00 0.00 174.62 175.95 3nqo h SER 40 N -0.62 0.70 -0.61 3.99 0.02 -1.84 -1.81 113.55 113.37 3nqo h SER 40 Ca -0.45 -0.09 0.02 0.00 -0.84 0.00 0.00 61.79 60.43 3nqo h SER 40 Cb 1.29 -0.18 -0.04 0.00 0.14 0.00 0.00 62.40 63.62 3nqo h SER 40 CO 0.62 0.59 0.38 0.03 -1.14 0.00 0.00 176.83 177.31 3nqo h ARG 41 N 0.75 0.73 -0.08 3.45 3.08 -1.94 -2.85 114.38 117.52 3nqo h ARG 41 Ca 0.20 -0.04 -0.00 0.00 0.07 0.00 0.00 59.98 60.20 3nqo h ARG 41 Cb 0.04 -0.16 -0.00 0.00 0.08 0.00 0.00 29.97 29.92 3nqo h ARG 41 CO -0.03 0.48 0.05 1.96 -1.07 0.00 0.00 179.97 181.36 3nqo h GLN 42 N 0.75 0.12 0.00 0.04 4.20 -1.90 -1.59 115.11 116.72 3nqo h GLN 42 Ca 0.24 -0.01 0.00 0.00 0.06 0.00 0.00 58.65 58.94 3nqo h GLN 42 Cb 0.01 -0.02 0.00 0.00 0.30 0.00 0.00 27.48 27.76 3nqo h GLN 42 CO -0.09 0.15 0.00 0.98 -0.67 0.00 0.00 178.83 179.19 3nqo n TYR 43 N -4.99 0.00 0.00 2.96 9.36 -0.70 -1.59 117.16 122.20 3nqo n TYR 43 Ca -0.06 0.00 0.00 0.00 3.32 0.00 0.00 57.90 61.16 3nqo n TYR 43 Cb 0.06 0.00 0.00 0.00 -0.63 0.00 0.00 39.34 38.77 3nqo n TYR 43 CO 0.00 0.00 0.00 2.41 0.22 0.00 0.00 176.86 179.49 3nqo n THR 45 N 0.10 0.00 -0.26 2.97 -1.04 -0.60 -1.45 114.28 114.01 3nqo n THR 45 Ca 0.00 0.00 -0.07 0.00 -2.04 0.00 0.00 64.05 61.94 3nqo n THR 45 Cb 0.00 0.00 0.05 0.00 -1.82 0.00 0.00 70.33 68.56 3nqo n THR 45 CO 0.00 0.00 0.00 0.40 -0.64 0.00 0.00 175.07 174.83 3nqo h ILE 46 N 0.00 1.25 -0.74 12.58 2.04 -1.55 -1.80 117.51 129.29 3nqo h ILE 46 Ca 0.00 -0.85 -0.05 0.00 1.00 0.00 0.00 64.86 64.95 3nqo h ILE 46 Cb 0.00 0.46 -0.03 0.00 -0.74 0.00 0.00 36.82 36.51 3nqo h ILE 46 CO 0.00 0.34 0.26 0.25 0.00 0.00 0.00 178.15 178.99 3nqo h LEU 47 N 1.04 1.06 -0.59 1.44 5.85 -1.51 -1.67 115.31 120.93 3nqo h LEU 47 Ca 0.23 -0.18 -0.00 0.00 0.84 0.00 0.00 57.88 58.76 3nqo h LEU 47 Cb 0.27 -0.28 -0.03 0.00 0.37 0.00 0.00 40.66 41.00 3nqo h LEU 47 CO -0.01 0.97 0.35 0.28 -0.34 0.00 0.00 178.44 179.68 3nqo h SER 48 N 1.10 0.71 -0.43 1.25 0.02 -1.74 -1.79 113.55 112.66 3nqo h SER 48 Ca 0.24 -0.06 0.04 0.00 -0.84 0.00 0.00 61.79 61.17 3nqo h SER 48 Cb 0.27 -0.18 -0.04 0.00 0.14 0.00 0.00 62.40 62.59 3nqo h SER 48 CO -0.01 0.56 0.20 0.40 -1.14 0.00 0.00 176.83 176.84 3nqo h ILE 49 N 0.79 0.94 0.00 3.27 2.04 -1.03 -2.58 117.51 120.95 3nqo h ILE 49 Ca 0.21 -0.14 0.00 0.00 1.00 0.00 0.00 64.86 65.93 3nqo h ILE 49 Cb -0.01 0.50 0.00 0.00 -0.74 0.00 0.00 36.82 36.57 3nqo h ILE 49 CO -0.04 0.07 0.00 -0.07 0.00 0.00 0.00 178.15 178.12 3nqo h LEU 50 N 0.41 0.00 0.00 1.44 3.38 -0.92 -2.64 115.31 116.97 3nqo h LEU 50 Ca 0.19 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.16 3nqo h LEU 50 Cb 0.12 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.87 3nqo h LEU 50 CO -0.15 0.00 -0.51 1.41 0.09 0.00 0.00 178.44 179.28 3nqo n HIS 51 N -2.74 0.24 -3.43 1.13 8.25 -0.71 -4.89 115.22 113.08 3nqo n HIS 51 Ca 0.00 0.07 -0.32 0.00 -0.26 0.00 0.00 57.72 57.21 3nqo n HIS 51 Cb 0.22 -0.45 -0.05 0.00 1.12 0.00 0.00 29.99 30.83 3nqo n HIS 51 CO 0.00 0.00 0.00 -0.51 0.64 0.00 0.00 176.34 176.47 3nqo s LEU 52 N -3.53 4.20 0.48 2.41 1.43 -1.00 -5.08 118.68 117.59 3nqo s LEU 52 Ca 0.09 0.91 -0.24 0.00 -1.03 0.00 0.00 54.13 53.86 3nqo s LEU 52 Cb 0.16 -3.58 -0.07 0.00 0.03 0.00 0.00 46.19 42.73 3nqo s LEU 52 CO 0.69 -0.03 1.35 -2.84 0.23 0.00 0.00 176.35 175.75 3nqo s PRO 53 N -2.67 3.54 0.28 1.29 0.02 -1.26 -4.93 135.00 131.27 3nqo s PRO 53 Ca 0.45 2.24 -0.00 0.00 0.02 0.00 0.00 61.00 63.71 3nqo s PRO 53 Cb -0.12 -2.50 0.63 0.00 0.02 0.00 0.00 34.50 32.54 3nqo s PRO 53 CO 0.21 -0.87 1.65 1.05 -0.33 0.00 0.00 177.00 178.70 3nqo h GLU 54 N 2.03 0.19 0.00 5.54 9.09 -1.94 -1.02 114.58 128.48 3nqo h GLU 54 Ca -0.50 -0.01 -0.01 0.00 0.05 0.00 0.00 59.36 58.88 3nqo h GLU 54 Cb 1.27 -0.04 -0.00 0.00 -1.65 0.00 0.00 28.75 28.33 3nqo h GLU 54 CO 0.60 0.13 -0.07 0.93 0.05 0.00 0.00 179.01 180.64 3nqo h GLU 55 N 0.20 0.00 -0.71 1.06 3.07 -1.96 -3.13 114.58 113.11 3nqo h GLU 55 Ca 0.51 0.00 -0.42 0.00 -0.50 0.00 0.00 59.36 58.95 3nqo h GLU 55 Cb 1.00 0.00 -0.24 0.00 -0.84 0.00 0.00 28.75 28.67 3nqo h GLU 55 CO -0.64 0.07 0.22 0.39 -1.40 0.00 0.00 179.01 177.65 3nqo n GLU 56 N -3.19 2.34 -1.78 2.33 1.02 -0.39 -4.71 120.64 116.26 3nqo n GLU 56 Ca 0.01 -3.29 -0.34 0.00 -0.02 0.00 0.00 57.16 53.51 3nqo n GLU 56 Cb 0.35 -2.07 -0.01 0.00 -0.02 0.00 0.00 31.44 29.69 3nqo n GLU 56 CO 0.00 0.00 0.00 0.25 1.18 0.00 0.00 177.13 178.56 3nqo n THR 57 N -1.04 3.75 -1.72 2.62 -2.24 -1.18 -4.74 114.28 109.73 3nqo n THR 57 Ca 0.48 -3.83 -0.31 0.00 -2.27 0.00 0.00 64.05 58.12 3nqo n THR 57 Cb 1.13 -1.47 0.03 0.00 -2.10 0.00 0.00 70.33 67.92 3nqo n THR 57 CO 0.00 0.00 0.00 0.42 -0.57 0.00 0.00 175.07 174.92 3nqo s THR 58 N -3.50 4.29 0.22 4.28 -4.23 -1.24 -3.27 115.64 112.19 3nqo s THR 58 Ca 0.54 0.77 -0.08 0.00 -1.18 0.00 0.00 61.69 61.74 3nqo s THR 58 Cb 0.38 -3.59 0.17 0.00 1.34 0.00 0.00 72.50 70.80 3nqo s THR 58 CO -0.29 -0.95 1.73 -0.07 -0.54 0.00 0.00 174.62 174.50 3nqo h LEU 59 N -0.48 0.19 -0.01 4.79 3.38 -1.94 -1.54 115.31 119.70 3nqo h LEU 59 Ca -0.44 0.09 0.00 0.00 0.09 0.00 0.00 57.88 57.62 3nqo h LEU 59 Cb 1.20 0.09 -0.00 0.00 0.09 0.00 0.00 40.66 42.04 3nqo h LEU 59 CO 0.59 0.10 0.00 -1.13 0.09 0.00 0.00 178.44 178.09 3nqo h ASN 60 N 0.39 0.00 -0.80 -0.43 -1.24 -1.94 0.77 115.58 112.34 3nqo h ASN 60 Ca 0.34 0.00 -0.05 0.00 0.71 0.00 0.00 56.30 57.30 3nqo h ASN 60 Cb 0.46 0.00 -0.04 0.00 0.73 0.00 0.00 38.32 39.48 3nqo h ASN 60 CO -0.35 0.00 0.31 0.78 -1.29 0.00 0.00 177.43 176.88 3nqo h ASN 61 N 0.01 1.11 -0.26 1.15 2.35 -1.82 -1.78 115.58 116.34 3nqo h ASN 61 Ca 0.00 -0.18 -0.05 0.00 -0.55 0.00 0.00 56.30 55.52 3nqo h ASN 61 Cb 0.00 -0.29 -0.01 0.00 0.05 0.00 0.00 38.32 38.08 3nqo h ASN 61 CO -0.00 0.98 -0.05 0.40 -1.65 0.00 0.00 177.43 177.11 3nqo h ILE 62 N 1.16 1.28 -0.53 2.81 2.04 -1.12 -1.90 117.51 121.26 3nqo h ILE 62 Ca 0.27 -1.04 0.11 0.00 1.00 0.00 0.00 64.86 65.19 3nqo h ILE 62 Cb 0.23 1.44 -0.10 0.00 -0.74 0.00 0.00 36.82 37.64 3nqo h ILE 62 CO -0.02 0.33 -0.18 0.00 0.00 0.00 0.00 178.15 178.27 3nqo h ALA 63 N 0.78 0.26 -0.47 1.87 0.00 -0.71 -2.58 119.26 118.41 3nqo h ALA 63 Ca 0.07 0.20 0.02 0.00 0.00 0.00 0.00 54.91 55.19 3nqo h ALA 63 Cb 0.51 0.49 -0.03 0.00 0.00 0.00 0.00 17.79 18.76 3nqo h ALA 63 CO 0.02 -0.49 0.29 -0.09 0.00 0.00 0.00 179.25 178.98 3nqo h ARG 64 N -0.06 0.57 -0.65 0.00 2.43 -1.24 0.17 114.38 115.61 3nqo h ARG 64 Ca 0.25 -0.03 0.00 0.00 -0.81 0.00 0.00 59.98 59.39 3nqo h ARG 64 Cb 0.44 -0.13 0.00 0.00 -0.42 0.00 0.00 29.97 29.87 3nqo h ARG 64 CO -0.58 0.38 0.00 1.17 -1.51 0.00 0.00 179.97 179.43 3nqo n LYS 65 N -4.80 0.07 -1.05 0.20 3.00 -0.72 -4.72 118.16 110.13 3nqo n LYS 65 Ca 0.02 0.00 -0.05 0.00 -0.00 0.00 0.00 58.31 58.29 3nqo n LYS 65 Cb 0.05 -1.17 -0.03 0.00 0.00 0.00 0.00 35.03 33.88 3nqo n LYS 65 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.40 177.81 3nqo n GLY 67 N 0.62 0.34 0.00 3.14 0.00 0.51 -4.89 105.19 104.91 3nqo n GLY 67 Ca 0.00 -0.02 0.00 0.00 0.00 0.00 0.00 46.02 46.00 3nqo n GLY 67 CO 0.00 0.00 0.00 -0.37 0.00 0.00 0.00 173.32 172.95 3nqo n THR 68 N -0.14 0.00 -3.48 2.61 5.66 -0.66 -5.15 114.28 113.11 3nqo n THR 68 Ca -0.19 0.00 -0.27 0.00 -3.05 0.00 0.00 64.05 60.54 3nqo n THR 68 Cb 0.60 0.00 -0.03 0.00 -1.55 0.00 0.00 70.33 69.35 3nqo n THR 68 CO 0.00 0.00 0.00 -0.94 -3.05 0.00 0.00 175.07 171.08 3nqo s SER 69 N -0.85 6.40 0.26 1.09 1.04 -1.26 -4.38 113.70 116.00 3nqo s SER 69 Ca 0.00 0.55 -0.02 0.00 0.48 0.00 0.00 55.95 56.97 3nqo s SER 69 Cb 0.00 -2.07 0.55 0.00 0.10 0.00 0.00 66.02 64.60 3nqo s SER 69 CO 0.00 -0.15 1.71 0.11 0.98 0.00 0.00 173.24 175.89 3nqo h LYS 70 N 1.66 0.38 -0.66 4.02 1.57 -1.94 -2.14 116.57 119.46 3nqo h LYS 70 Ca -0.48 -0.02 -0.04 0.00 -1.87 0.00 0.00 60.65 58.24 3nqo h LYS 70 Cb 1.19 -0.09 -0.03 0.00 0.08 0.00 0.00 32.23 33.39 3nqo h LYS 70 CO 0.66 0.25 0.25 0.37 -0.57 0.00 0.00 179.45 180.42 3nqo h GLN 71 N 0.39 0.99 -0.63 3.15 5.75 -1.96 0.71 115.11 123.51 3nqo h GLN 71 Ca 0.46 -0.19 -0.05 0.00 -0.15 0.00 0.00 58.65 58.73 3nqo h GLN 71 Cb 0.79 -0.16 -0.03 0.00 1.07 0.00 0.00 27.48 29.16 3nqo h GLN 71 CO -0.47 0.84 0.19 -0.91 -2.65 0.00 0.00 178.83 175.83 3nqo h ASN 72 N 0.94 0.92 -0.50 -0.69 2.35 -1.88 -2.80 115.58 113.92 3nqo h ASN 72 Ca 0.22 -0.21 -0.09 0.00 -0.55 0.00 0.00 56.30 55.67 3nqo h ASN 72 Cb 0.22 -0.24 -0.02 0.00 0.05 0.00 0.00 38.32 38.33 3nqo h ASN 72 CO -0.02 0.88 -0.03 0.40 -1.65 0.00 0.00 177.43 177.01 3nqo h ILE 73 N 0.91 1.26 -0.65 2.81 1.08 -1.05 -2.18 117.51 119.69 3nqo h ILE 73 Ca 0.20 -1.15 0.06 0.00 -0.39 0.00 0.00 64.86 63.59 3nqo h ILE 73 Cb 0.30 0.88 -0.06 0.00 -3.07 0.00 0.00 36.82 34.87 3nqo h ILE 73 CO -0.01 0.41 0.34 -1.13 -0.69 0.00 0.00 178.15 177.07 3nqo h ASN 74 N 0.87 0.49 -0.25 1.72 -1.24 -0.74 0.22 115.58 116.66 3nqo h ASN 74 Ca 0.15 0.04 -0.06 0.00 0.71 0.00 0.00 56.30 57.14 3nqo h ASN 74 Cb 0.56 -0.05 -0.01 0.00 0.73 0.00 0.00 38.32 39.55 3nqo h ASN 74 CO 0.03 0.31 -0.07 0.03 -1.29 0.00 0.00 177.43 176.44 3nqo h ARG 75 N 0.63 0.48 -0.11 6.67 2.47 -1.37 -0.95 114.38 122.20 3nqo h ARG 75 Ca 0.30 -0.19 0.02 0.00 -1.26 0.00 0.00 59.98 58.85 3nqo h ARG 75 Cb 0.22 -0.02 -0.02 0.00 -1.65 0.00 0.00 29.97 28.50 3nqo h ARG 75 CO -0.20 0.72 -0.02 -0.07 0.56 0.00 0.00 179.97 180.96 3nqo h LEU 76 N 0.22 -0.08 -1.44 3.04 3.38 -1.14 -0.67 115.31 118.62 3nqo h LEU 76 Ca 0.06 0.03 -0.04 0.00 0.09 0.00 0.00 57.88 58.01 3nqo h LEU 76 Cb 0.55 0.06 -0.01 0.00 0.09 0.00 0.00 40.66 41.34 3nqo h LEU 76 CO 0.03 -0.02 -0.11 0.58 0.09 0.00 0.00 178.44 179.01 3nqo h VAL 77 N 0.02 1.16 -0.38 1.22 2.07 -0.52 -0.71 116.25 119.12 3nqo h VAL 77 Ca 0.05 -0.71 -0.13 0.00 0.82 0.00 0.00 66.70 66.73 3nqo h VAL 77 Cb 0.07 1.17 -0.01 0.00 -1.52 0.00 0.00 31.29 31.01 3nqo h VAL 77 CO -0.10 0.22 -0.28 0.00 0.02 0.00 0.00 177.57 177.43 3nqo h ALA 78 N 1.67 0.54 -0.81 1.67 0.00 -0.82 -1.89 119.26 119.63 3nqo h ALA 78 Ca 0.05 -0.41 -0.03 0.00 0.00 0.00 0.00 54.91 54.52 3nqo h ALA 78 Cb 0.33 -0.12 -0.04 0.00 0.00 0.00 0.00 17.79 17.97 3nqo h ALA 78 CO 0.02 0.56 0.38 -0.97 0.00 0.00 0.00 179.25 179.24 3nqo h ASN 79 N 0.66 1.07 0.18 0.00 -0.73 -0.62 -2.39 115.58 113.74 3nqo h ASN 79 Ca 0.07 -0.14 -0.08 0.00 1.87 0.00 0.00 56.30 58.02 3nqo h ASN 79 Cb 0.86 -0.27 -0.01 0.00 0.27 0.00 0.00 38.32 39.16 3nqo h ASN 79 CO 0.07 0.91 -0.29 -0.07 -0.37 0.00 0.00 177.43 177.68 3nqo h LEU 80 N 1.15 0.19 -0.04 0.34 3.38 -1.04 -2.58 115.31 116.71 3nqo h LEU 80 Ca 0.28 -0.06 -0.05 0.00 0.09 0.00 0.00 57.88 58.14 3nqo h LEU 80 Cb 0.14 -0.05 0.00 0.00 0.09 0.00 0.00 40.66 40.84 3nqo h LEU 80 CO -0.03 0.48 -0.16 -0.08 0.09 0.00 0.00 178.44 178.74 3nqo h GLU 81 N 0.17 0.18 -0.72 1.13 4.81 -1.14 -0.29 114.58 118.72 3nqo h GLU 81 Ca 0.02 -0.14 0.12 0.00 -0.13 0.00 0.00 59.36 59.24 3nqo h GLU 81 Cb 0.61 0.03 -0.09 0.00 0.63 0.00 0.00 28.75 29.93 3nqo h GLU 81 CO 0.04 0.79 0.30 -0.22 -0.73 0.00 0.00 179.01 179.19 3nqo h LYS 82 N -0.40 0.45 0.00 1.92 1.63 -1.46 -1.01 116.57 117.71 3nqo h LYS 82 Ca -0.01 -0.03 0.00 0.00 -0.85 0.00 0.00 60.65 59.76 3nqo h LYS 82 Cb 0.82 -0.10 0.00 0.00 -0.60 0.00 0.00 32.23 32.34 3nqo h LYS 82 CO 0.03 0.30 0.00 0.09 -3.45 0.00 0.00 179.45 176.42 3nqo n ASN 83 N -4.97 0.17 0.00 4.20 3.02 -0.97 -4.91 115.26 111.79 3nqo n ASN 83 Ca 0.13 0.55 0.00 0.00 -0.03 0.00 0.00 54.58 55.22 3nqo n ASN 83 Cb 0.36 -0.58 0.00 0.00 -0.61 0.00 0.00 39.78 38.95 3nqo n ASN 83 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 3nqo n GLY 84 N -0.27 0.57 0.13 7.41 0.00 -0.38 -4.96 105.19 107.68 3nqo n GLY 84 Ca 0.02 -0.09 0.03 0.00 0.00 0.00 0.00 46.02 45.99 3nqo n GLY 84 CO 0.00 0.00 0.00 -0.97 0.00 0.00 0.00 173.32 172.35 3nqo h TYR 85 N 0.00 0.00 -3.97 1.61 0.05 -1.26 -3.39 116.97 110.00 3nqo h TYR 85 Ca 0.00 0.00 -0.23 0.00 0.05 0.00 0.00 58.73 58.55 3nqo h TYR 85 Cb 0.00 0.00 -0.21 0.00 1.01 0.00 0.00 36.73 37.53 3nqo h TYR 85 CO 0.00 0.46 -0.72 0.14 -1.05 0.00 0.00 178.16 176.99 3nqo s VAL 86 N -2.99 0.37 -0.10 -2.88 -7.23 -1.17 -2.09 120.40 104.30 3nqo s VAL 86 Ca 0.02 -1.03 -0.04 0.00 -1.81 0.00 0.00 61.98 59.12 3nqo s VAL 86 Cb 0.08 -0.49 -0.04 0.00 0.56 0.00 0.00 36.38 36.49 3nqo s VAL 86 CO 0.76 -0.44 0.07 -1.81 -0.31 0.00 0.00 175.10 173.37 3nqo s ASP 87 N -1.56 5.83 -0.17 4.85 1.01 0.21 -4.38 116.67 122.46 3nqo s ASP 87 Ca -0.12 0.31 -0.02 0.00 0.71 0.00 0.00 52.55 53.44 3nqo s ASP 87 Cb -0.10 -1.78 -0.01 0.00 1.01 0.00 0.00 42.92 42.05 3nqo s ASP 87 CO -0.00 0.39 -0.10 -0.69 0.21 0.00 0.00 175.17 174.98 3nqo s VAL 88 N -0.96 3.13 0.12 -1.27 1.01 -1.26 -1.35 120.40 119.82 3nqo s VAL 88 Ca 0.14 -0.61 0.01 0.00 0.00 0.00 0.00 61.98 61.53 3nqo s VAL 88 Cb -0.12 -2.36 -0.04 0.00 0.00 0.00 0.00 36.38 33.86 3nqo s VAL 88 CO 0.03 0.49 -0.04 0.27 0.00 0.00 0.00 175.10 175.86 3nqo s ILE 89 N 0.83 0.62 0.48 2.22 -4.36 -0.95 -5.02 121.20 115.02 3nqo s ILE 89 Ca -0.03 -1.94 -0.24 0.00 -0.26 0.00 0.00 60.65 58.18 3nqo s ILE 89 Cb -0.15 -1.83 -0.07 0.00 1.25 0.00 0.00 42.46 41.66 3nqo s ILE 89 CO 0.01 -0.74 1.39 -2.84 0.24 0.00 0.00 174.94 173.00 3nqo s PRO 90 N -3.88 3.54 0.15 0.37 0.02 -1.26 -1.32 135.00 132.62 3nqo s PRO 90 Ca 0.16 2.32 -0.30 0.00 0.02 0.00 0.00 61.00 63.20 3nqo s PRO 90 Cb 0.06 -2.53 -0.08 0.00 0.02 0.00 0.00 34.50 31.97 3nqo s PRO 90 CO -0.02 -0.90 1.29 0.45 -0.33 0.00 0.00 177.00 177.49 3nqo s SER 91 N -0.69 6.94 0.30 2.53 0.15 -0.86 -4.32 113.70 117.74 3nqo s SER 91 Ca 0.64 2.29 0.26 0.00 0.70 0.00 0.00 55.95 59.84 3nqo s SER 91 Cb -0.42 -2.60 0.93 0.00 -1.71 0.00 0.00 66.02 62.22 3nqo s SER 91 CO 0.52 -0.52 1.76 1.55 1.20 0.00 0.00 173.24 177.75 3nqo h PRO 92 N 5.94 0.00 0.00 5.44 0.13 -1.90 -3.33 132.00 138.28 3nqo h PRO 92 Ca -0.43 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.70 3nqo h PRO 92 Cb 1.21 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.34 3nqo h PRO 92 CO 0.80 0.00 -1.85 0.72 -0.23 0.00 0.00 178.00 177.44 3nqo n HIS 93 N -2.43 0.00 -3.67 1.56 8.25 -1.26 -4.91 115.22 112.76 3nqo n HIS 93 Ca 0.03 0.00 -0.11 0.00 -0.26 0.00 0.00 57.72 57.38 3nqo n HIS 93 Cb 0.33 -0.43 -0.11 0.00 1.12 0.00 0.00 29.99 30.90 3nqo n HIS 93 CO 0.00 0.00 0.00 0.34 0.64 0.00 0.00 176.34 177.32 3nqo s ASP 94 N -4.24 -0.01 0.47 0.41 2.15 -1.25 -5.06 116.67 109.14 3nqo s ASP 94 Ca -0.06 0.78 0.14 0.00 0.43 0.00 0.00 52.55 53.84 3nqo s ASP 94 Cb 0.14 0.96 1.08 0.00 -0.30 0.00 0.00 42.92 44.79 3nqo s ASP 94 CO 0.86 -0.23 2.06 0.07 -0.17 0.00 0.00 175.17 177.76 3nqo h LYS 95 N 8.07 0.08 -0.18 4.34 2.10 -1.91 -2.68 116.57 126.37 3nqo h LYS 95 Ca -0.18 -0.01 -0.18 0.00 -2.00 0.00 0.00 60.65 58.27 3nqo h LYS 95 Cb 1.12 -0.01 -0.00 0.00 -0.90 0.00 0.00 32.23 32.43 3nqo h LYS 95 CO 0.16 0.14 -0.63 0.07 -2.00 0.00 0.00 179.45 177.19 3nqo h ARG 96 N 0.08 0.66 -7.37 0.07 -0.00 -1.97 -3.46 114.38 102.39 3nqo h ARG 96 Ca 0.02 -0.46 -0.51 0.00 -0.00 0.00 0.00 59.98 59.03 3nqo h ARG 96 Cb 0.15 0.07 0.08 0.00 -0.00 0.00 0.00 29.97 30.28 3nqo h ARG 96 CO 0.01 1.08 0.39 0.00 -0.00 0.00 0.00 179.97 181.44 3nqo s ALA 97 N -3.90 2.78 0.35 0.08 0.00 -1.01 -4.99 121.76 115.07 3nqo s ALA 97 Ca -0.08 -0.04 0.08 0.00 0.00 0.00 0.00 51.96 51.91 3nqo s ALA 97 Cb 0.10 -3.12 -0.04 0.00 0.00 0.00 0.00 23.12 20.06 3nqo s ALA 97 CO 0.87 -1.11 0.16 0.96 0.00 0.00 0.00 175.76 176.64 3nqo s ILE 98 N -3.13 2.89 0.23 0.00 -4.36 -1.26 -2.03 121.20 113.54 3nqo s ILE 98 Ca 0.57 -1.68 0.11 0.00 -0.26 0.00 0.00 60.65 59.39 3nqo s ILE 98 Cb -0.13 -2.98 -0.05 0.00 1.25 0.00 0.00 42.46 40.56 3nqo s ILE 98 CO 0.54 -0.15 -0.18 0.20 0.24 0.00 0.00 174.94 175.60 3nqo s ASN 99 N -3.87 3.72 -0.12 4.36 0.02 -0.43 -3.68 114.94 114.95 3nqo s ASN 99 Ca 0.39 -0.85 0.00 0.00 -1.02 0.00 0.00 52.86 51.37 3nqo s ASN 99 Cb -0.02 -0.40 0.02 0.00 0.02 0.00 0.00 41.25 40.88 3nqo s ASN 99 CO 0.23 0.08 -0.10 -0.69 0.02 0.00 0.00 177.10 176.64 3nqo s VAL 100 N -2.02 1.17 -0.12 1.60 1.01 -1.20 -2.24 120.40 118.60 3nqo s VAL 100 Ca 0.26 -0.40 -0.03 0.00 0.00 0.00 0.00 61.98 61.81 3nqo s VAL 100 Cb -0.07 -1.15 -0.03 0.00 0.00 0.00 0.00 36.38 35.13 3nqo s VAL 100 CO 0.13 0.39 -0.03 -1.59 0.00 0.00 0.00 175.10 174.00 3nqo s LYS 101 N 1.52 3.35 0.01 2.72 0.00 -0.45 -4.90 119.74 121.98 3nqo s LYS 101 Ca 0.02 -0.49 -0.29 0.00 0.00 0.00 0.00 55.97 55.21 3nqo s LYS 101 Cb -0.13 -2.83 -0.04 0.00 0.00 0.00 0.00 37.83 34.83 3nqo s LYS 101 CO -0.07 0.43 0.94 0.08 0.00 0.00 0.00 175.35 176.73 3nqo s VAL 102 N -0.16 4.84 0.77 1.79 1.01 -1.26 -0.62 120.40 126.78 3nqo s VAL 102 Ca 0.03 1.97 -0.10 0.00 0.00 0.00 0.00 61.98 63.89 3nqo s VAL 102 Cb -0.13 -4.28 0.08 0.00 0.00 0.00 0.00 36.38 32.05 3nqo s VAL 102 CO 0.02 0.20 1.12 0.42 0.00 0.00 0.00 175.10 176.86 3nqo s THR 103 N 0.82 2.11 0.29 3.92 -4.23 -0.89 -4.83 115.64 112.83 3nqo s THR 103 Ca 0.49 -0.11 -0.02 0.00 -1.18 0.00 0.00 61.69 60.86 3nqo s THR 103 Cb -0.21 -3.00 0.24 0.00 1.34 0.00 0.00 72.50 70.88 3nqo s THR 103 CO 0.27 0.00 1.94 0.44 -0.54 0.00 0.00 174.62 176.73 3nqo h ASP 104 N -0.89 0.95 -0.12 3.99 3.45 -1.91 0.40 116.42 122.30 3nqo h ASP 104 Ca -0.45 -0.05 -0.08 0.00 0.43 0.00 0.00 57.03 56.88 3nqo h ASP 104 Cb 1.32 -0.24 -0.02 0.00 -0.56 0.00 0.00 39.33 39.84 3nqo h ASP 104 CO 0.63 0.72 -0.16 0.25 -1.57 0.00 0.00 179.24 179.11 3nqo h LEU 105 N 1.10 0.48 -0.36 1.55 5.85 -1.91 -1.65 115.31 120.37 3nqo h LEU 105 Ca 0.29 -0.13 -0.08 0.00 0.84 0.00 0.00 57.88 58.80 3nqo h LEU 105 Cb -0.06 -0.13 -0.01 0.00 0.37 0.00 0.00 40.66 40.83 3nqo h LEU 105 CO -0.06 0.66 -0.09 1.23 -0.34 0.00 0.00 178.44 179.84 3nqo h GLY 106 N 0.95 0.75 1.13 3.75 0.00 -1.54 -2.58 103.07 105.53 3nqo h GLY 106 Ca 0.08 -0.62 -0.03 0.00 0.00 0.00 0.00 47.33 46.76 3nqo h GLY 106 CO 0.03 0.57 0.38 0.50 0.00 0.00 0.00 176.54 178.02 3nqo h LYS 107 N 0.48 1.12 -0.00 4.80 1.57 -0.76 -3.23 116.57 120.56 3nqo h LYS 107 Ca 0.09 -0.16 -0.00 0.00 -1.87 0.00 0.00 60.65 58.71 3nqo h LYS 107 Cb 0.60 -0.20 -0.00 0.00 0.08 0.00 0.00 32.23 32.71 3nqo h LYS 107 CO 0.04 0.86 -0.00 0.87 -0.57 0.00 0.00 179.45 180.65 3nqo h LYS 108 N 1.11 0.00 -1.14 3.15 1.57 -1.28 -1.33 116.57 118.65 3nqo h LYS 108 Ca 0.27 -0.00 0.00 0.00 -1.87 0.00 0.00 60.65 59.05 3nqo h LYS 108 Cb 0.11 -0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.42 3nqo h LYS 108 CO -0.03 0.34 0.00 0.28 -0.57 0.00 0.00 179.45 179.47 3nqo n VAL 109 N -4.92 0.00 0.00 0.50 0.31 -0.98 -2.12 118.33 111.12 3nqo n VAL 109 Ca -0.08 0.00 0.00 0.00 -0.01 0.00 0.00 64.34 64.25 3nqo n VAL 109 Cb 0.18 -0.25 0.00 0.00 -0.91 0.00 0.00 33.84 32.86 3nqo n VAL 109 CO 0.00 0.00 0.00 0.52 -1.32 0.00 0.00 176.83 176.03 3nqo n VAL 111 N 0.71 0.00 -0.06 2.52 0.31 -0.50 -1.01 118.33 120.31 3nqo n VAL 111 Ca 0.00 0.00 -0.11 0.00 -0.01 0.00 0.00 64.34 64.22 3nqo n VAL 111 Cb 0.00 0.00 -0.04 0.00 -0.91 0.00 0.00 33.84 32.89 3nqo n VAL 111 CO 0.00 0.00 0.00 0.74 -1.32 0.00 0.00 176.83 176.25 3nqo h THR 112 N 0.00 1.16 -0.34 2.52 2.02 -1.71 -2.81 112.91 113.76 3nqo h THR 112 Ca 0.00 -0.48 -0.10 0.00 0.77 0.00 0.00 66.41 66.60 3nqo h THR 112 Cb 0.00 1.09 -0.01 0.00 -1.74 0.00 0.00 68.15 67.49 3nqo h THR 112 CO 0.00 0.16 -0.22 0.00 0.37 0.00 0.00 175.52 175.83 3nqo h SER 114 N 0.57 1.12 -0.02 0.00 0.02 -1.81 0.55 113.55 113.99 3nqo h SER 114 Ca 0.08 -0.05 -0.00 0.00 -0.84 0.00 0.00 61.79 60.99 3nqo h SER 114 Cb 0.69 -0.28 -0.00 0.00 0.14 0.00 0.00 62.40 62.94 3nqo h SER 114 CO 0.05 0.83 0.01 -0.09 -1.14 0.00 0.00 176.83 176.49 3nqo h ARG 115 N 1.30 0.03 -0.95 3.45 9.65 -1.29 -2.08 114.38 124.49 3nqo h ARG 115 Ca 0.35 -0.01 0.06 0.00 -1.10 0.00 0.00 59.98 59.28 3nqo h ARG 115 Cb -0.11 -0.00 -0.07 0.00 -1.39 0.00 0.00 29.97 28.40 3nqo h ARG 115 CO -0.07 0.21 0.61 1.15 2.80 0.00 0.00 179.97 184.67 3nqo h THR 116 N -0.16 1.07 -0.86 0.20 2.02 -1.27 -2.78 112.91 111.13 3nqo h THR 116 Ca 0.01 -0.38 0.21 0.00 0.77 0.00 0.00 66.41 67.01 3nqo h THR 116 Cb 0.19 -0.13 -0.12 0.00 -1.74 0.00 0.00 68.15 66.35 3nqo h THR 116 CO -0.00 0.20 0.32 1.23 0.37 0.00 0.00 175.52 177.64 3nqo h GLY 117 N 1.11 1.39 1.10 2.16 0.00 0.71 -1.71 103.07 107.82 3nqo h GLY 117 Ca 0.41 -0.12 -0.02 0.00 0.00 0.00 0.00 47.33 47.60 3nqo h GLY 117 CO -0.17 -0.27 0.42 -2.22 0.00 0.00 0.00 176.54 174.30 3nqo h ILE 118 N 0.34 1.25 -0.18 2.60 2.04 -1.10 -2.75 117.51 119.71 3nqo h ILE 118 Ca 0.53 -0.67 -0.16 0.00 1.00 0.00 0.00 64.86 65.56 3nqo h ILE 118 Cb 0.99 0.16 -0.01 0.00 -0.74 0.00 0.00 36.82 37.22 3nqo h ILE 118 CO -0.54 0.29 -0.56 0.78 0.00 0.00 0.00 178.15 178.12 3nqo h ASN 119 N 1.17 0.63 0.00 1.72 2.35 -1.41 -2.36 115.58 117.69 3nqo h ASN 119 Ca 0.29 -0.34 0.00 0.00 -0.55 0.00 0.00 56.30 55.70 3nqo h ASN 119 Cb 0.08 -0.18 0.00 0.00 0.05 0.00 0.00 38.32 38.26 3nqo h ASN 119 CO -0.04 1.06 0.00 0.33 -1.65 0.00 0.00 177.43 177.13 3nqo n PHE 120 N -3.95 0.00 0.00 1.19 7.35 -0.73 -2.05 117.46 119.27 3nqo n PHE 120 Ca -0.03 -0.00 0.00 0.00 -0.76 0.00 0.00 57.45 56.65 3nqo n PHE 120 Cb 0.61 -0.03 0.00 0.00 0.35 0.00 0.00 39.48 40.42 3nqo n PHE 120 CO 0.00 0.00 0.00 0.00 -0.76 0.00 0.00 176.76 176.00 3nqo n ALA 122 N 0.61 0.00 -0.04 3.13 0.00 -0.89 -0.87 120.51 122.45 3nqo n ALA 122 Ca 0.00 0.00 -0.14 0.00 0.00 0.00 0.00 53.44 53.30 3nqo n ALA 122 Cb 0.00 0.00 -0.09 0.00 0.00 0.00 0.00 19.45 19.37 3nqo n ALA 122 CO 0.00 0.00 0.00 -0.44 0.00 0.00 0.00 177.50 177.06 3nqo h ASP 123 N 0.00 0.39 -0.39 0.00 5.19 -1.70 -2.33 116.42 117.56 3nqo h ASP 123 Ca 0.00 -0.59 -0.04 0.00 -0.62 0.00 0.00 57.03 55.78 3nqo h ASP 123 Cb 0.00 -0.11 -0.02 0.00 0.18 0.00 0.00 39.33 39.38 3nqo h ASP 123 CO 0.00 0.91 0.14 0.58 -3.12 0.00 0.00 179.24 177.75 3nqo h VAL 124 N -0.12 1.19 -0.47 -1.35 2.07 -1.28 -3.08 116.25 113.22 3nqo h VAL 124 Ca -0.01 -0.66 0.00 0.00 0.82 0.00 0.00 66.70 66.86 3nqo h VAL 124 Cb 0.87 0.70 0.00 0.00 -1.52 0.00 0.00 31.29 31.33 3nqo h VAL 124 CO 0.05 0.25 0.00 0.49 0.02 0.00 0.00 177.57 178.38 3nqo n PHE 125 N -4.32 0.84 0.27 1.57 3.72 -1.24 -4.71 117.46 113.58 3nqo n PHE 125 Ca 0.03 -0.58 0.10 0.00 -0.05 0.00 0.00 57.45 56.95 3nqo n PHE 125 Cb 0.19 -0.11 0.69 0.00 -0.94 0.00 0.00 39.48 39.31 3nqo n PHE 125 CO 0.00 0.00 0.00 1.12 -0.05 0.00 0.00 176.76 177.83 3nqo h HIS 126 N 2.84 0.00 -0.00 1.38 2.07 -1.32 -0.33 115.15 119.79 3nqo h HIS 126 Ca 0.00 0.00 0.00 0.00 -2.85 0.00 0.00 60.37 57.52 3nqo h HIS 126 Cb 1.03 0.00 0.00 0.00 2.57 0.00 0.00 27.41 31.01 3nqo h HIS 126 CO 0.43 0.02 -0.10 0.39 -3.07 0.00 0.00 177.93 175.60 3nqo n GLU 127 N -4.33 0.03 -3.22 5.12 1.02 -1.26 -4.87 120.64 113.13 3nqo n GLU 127 Ca -0.03 -0.01 -0.39 0.00 -0.02 0.00 0.00 57.16 56.72 3nqo n GLU 127 Cb 0.11 -1.50 -0.06 0.00 -0.02 0.00 0.00 31.44 29.97 3nqo n GLU 127 CO 0.00 0.00 0.00 -0.06 1.18 0.00 0.00 177.13 178.25 3nqo s PHE 128 N -2.97 3.68 0.73 -0.32 0.40 -0.14 -5.08 117.98 114.29 3nqo s PHE 128 Ca 0.14 1.18 -0.11 0.00 -0.60 0.00 0.00 56.93 57.54 3nqo s PHE 128 Cb 0.19 -2.59 0.03 0.00 0.51 0.00 0.00 43.02 41.15 3nqo s PHE 128 CO 0.56 0.36 1.08 0.95 0.70 0.00 0.00 175.22 178.87 3nqo s THR 129 N -0.21 3.57 0.34 0.64 -4.23 -1.26 -4.93 115.64 109.57 3nqo s THR 129 Ca 0.31 0.51 0.06 0.00 -1.18 0.00 0.00 61.69 61.38 3nqo s THR 129 Cb -0.18 -3.34 0.30 0.00 1.34 0.00 0.00 72.50 70.62 3nqo s THR 129 CO 0.17 -0.67 1.90 0.50 -0.54 0.00 0.00 174.62 175.98 3nqo h LYS 130 N -0.81 0.78 -0.60 3.99 3.64 -1.97 -2.13 116.57 119.46 3nqo h LYS 130 Ca -0.45 -0.05 -0.10 0.00 -1.27 0.00 0.00 60.65 58.78 3nqo h LYS 130 Cb 1.24 -0.18 -0.02 0.00 -0.41 0.00 0.00 32.23 32.86 3nqo h LYS 130 CO 0.60 0.52 0.00 0.22 -2.27 0.00 0.00 179.45 178.52 3nqo h ASP 131 N 0.80 1.03 -0.71 4.20 3.58 -1.99 -0.73 116.42 122.60 3nqo h ASP 131 Ca 0.40 -0.29 -0.05 0.00 0.42 0.00 0.00 57.03 57.50 3nqo h ASP 131 Cb 0.45 -0.28 -0.03 0.00 1.72 0.00 0.00 39.33 41.19 3nqo h ASP 131 CO -0.16 1.08 0.23 -0.33 -2.88 0.00 0.00 179.24 177.18 3nqo h GLU 132 N 0.97 1.10 -0.37 0.28 5.08 -1.84 -1.61 114.58 118.18 3nqo h GLU 132 Ca 0.17 -0.23 -0.01 0.00 -1.00 0.00 0.00 59.36 58.30 3nqo h GLU 132 Cb 0.55 -0.16 -0.02 0.00 0.50 0.00 0.00 28.75 29.62 3nqo h GLU 132 CO 0.03 0.93 0.21 -0.07 -1.00 0.00 0.00 179.01 179.11 3nqo h LEU 133 N 1.04 0.47 -1.25 1.33 3.38 -1.01 0.21 115.31 119.48 3nqo h LEU 133 Ca 0.23 -0.09 -0.01 0.00 0.09 0.00 0.00 57.88 58.10 3nqo h LEU 133 Cb 0.29 -0.12 -0.03 0.00 0.09 0.00 0.00 40.66 40.89 3nqo h LEU 133 CO -0.01 0.42 0.35 -0.33 0.09 0.00 0.00 178.44 178.96 3nqo h GLU 134 N 0.48 0.87 -0.11 1.13 5.08 -1.02 -0.13 114.58 120.87 3nqo h GLU 134 Ca 0.13 -0.09 -0.05 0.00 -1.00 0.00 0.00 59.36 58.35 3nqo h GLU 134 Cb 0.06 -0.18 -0.00 0.00 0.50 0.00 0.00 28.75 29.13 3nqo h GLU 134 CO -0.02 0.64 -0.14 1.15 -1.00 0.00 0.00 179.01 179.63 3nqo h THR 135 N 0.88 1.37 0.02 1.13 2.02 -1.13 -1.83 112.91 115.38 3nqo h THR 135 Ca 0.23 -1.35 -0.00 0.00 0.77 0.00 0.00 66.41 66.06 3nqo h THR 135 Cb 0.01 2.00 0.00 0.00 -1.74 0.00 0.00 68.15 68.42 3nqo h THR 135 CO -0.04 0.39 -0.01 0.25 0.37 0.00 0.00 175.52 176.48 3nqo h LEU 136 N -0.12 -0.03 -0.48 2.58 5.85 -0.64 -1.58 115.31 120.88 3nqo h LEU 136 Ca 0.01 -0.11 0.10 0.00 0.84 0.00 0.00 57.88 58.72 3nqo h LEU 136 Cb 0.69 0.01 -0.09 0.00 0.37 0.00 0.00 40.66 41.64 3nqo h LEU 136 CO 0.03 0.09 -0.07 -0.25 -0.34 0.00 0.00 178.44 177.90 3nqo h TRP 137 N -0.14 -0.16 -0.69 1.25 7.01 -1.05 -0.32 115.95 121.85 3nqo h TRP 137 Ca -0.00 0.04 0.02 0.00 2.11 0.00 0.00 58.89 61.06 3nqo h TRP 137 Cb 0.13 0.15 -0.04 0.00 -2.10 0.00 0.00 29.16 27.30 3nqo h TRP 137 CO -0.04 -0.17 0.45 1.03 -2.79 0.00 0.00 178.44 176.92 3nqo h SER 138 N 0.05 0.75 0.28 2.65 0.87 -1.07 -0.92 113.55 116.15 3nqo h SER 138 Ca 0.24 -0.01 -0.14 0.00 -1.23 0.00 0.00 61.79 60.64 3nqo h SER 138 Cb 0.36 -0.17 -0.01 0.00 -0.44 0.00 0.00 62.40 62.14 3nqo h SER 138 CO -0.46 0.53 -0.57 -0.07 -0.53 0.00 0.00 176.83 175.74 3nqo h LEU 139 N 0.89 0.34 -0.62 2.23 3.38 -0.48 -1.61 115.31 119.44 3nqo h LEU 139 Ca 0.27 -0.18 -0.11 0.00 0.09 0.00 0.00 57.88 57.95 3nqo h LEU 139 Cb -0.04 -0.10 -0.02 0.00 0.09 0.00 0.00 40.66 40.59 3nqo h LEU 139 CO -0.08 0.83 -0.06 -0.07 0.09 0.00 0.00 178.44 179.14 3nqo h LEU 140 N 0.23 1.01 -0.81 1.67 3.38 -0.72 -2.97 115.31 117.10 3nqo h LEU 140 Ca -0.00 -0.31 -0.07 0.00 0.09 0.00 0.00 57.88 57.59 3nqo h LEU 140 Cb 1.06 -0.27 -0.03 0.00 0.09 0.00 0.00 40.66 41.51 3nqo h LEU 140 CO 0.09 1.10 0.13 0.11 0.09 0.00 0.00 178.44 179.96 3nqo h LYS 141 N 0.92 1.02 -0.81 1.13 1.57 -0.96 -1.76 116.57 117.68 3nqo h LYS 141 Ca 0.15 -0.25 0.00 0.00 -1.87 0.00 0.00 60.65 58.68 3nqo h LYS 141 Cb 0.62 -0.13 0.00 0.00 0.08 0.00 0.00 32.23 32.80 3nqo h LYS 141 CO 0.04 0.93 0.00 1.17 -0.57 0.00 0.00 179.45 181.02 3nqo n LYS 142 N -4.23 0.18 0.00 3.15 4.81 -0.62 -2.69 118.16 118.76 3nqo n LYS 142 Ca 0.04 0.00 0.00 0.00 -0.87 0.00 0.00 58.31 57.48 3nqo n LYS 142 Cb 0.27 -1.21 0.00 0.00 0.02 0.00 0.00 35.03 34.10 3nqo n LYS 142 CO 0.00 0.00 0.00 0.98 1.17 0.00 0.00 177.40 179.55 3nqo n TYR 144 N 0.60 0.00 0.22 5.64 4.19 -0.66 -3.53 117.16 123.62 3nqo n TYR 144 Ca 0.00 0.00 0.04 0.00 3.31 0.00 0.00 57.90 61.25 3nqo n TYR 144 Cb 0.06 0.00 0.20 0.00 0.49 0.00 0.00 39.34 40.09 3nqo n TYR 144 CO 0.00 0.00 0.00 2.89 0.91 0.00 0.00 176.86 180.66 3nqo n ARG 145 N 0.00 2.73 -0.18 2.98 1.85 -1.09 -4.48 116.66 118.47 3nqo n ARG 145 Ca 0.00 -1.56 0.23 0.00 -1.00 0.00 0.00 57.85 55.52 3nqo n ARG 145 Cb 0.00 -1.75 0.63 0.00 -1.05 0.00 0.00 32.46 30.29 3nqo n ARG 145 CO 0.00 0.00 0.00 0.27 -0.01 0.00 0.00 177.63 177.89 3nqo h PHE 146 N 2.10 0.23 -0.52 2.89 -0.00 -1.85 -1.05 116.94 118.74 3nqo h PHE 146 Ca 0.00 0.01 0.00 0.00 -0.00 0.00 0.00 57.97 57.98 3nqo h PHE 146 Cb 1.08 -0.07 0.00 0.00 -0.00 0.00 0.00 35.95 36.96 3nqo h PHE 146 CO 0.49 0.06 0.00 0.27 -0.00 0.00 0.00 178.31 179.13 3nqo n ASN 147 N -4.39 3.99 0.00 -0.68 6.94 -1.26 -4.94 115.26 114.92 3nqo n ASN 147 Ca 0.18 -2.38 0.00 0.00 -0.02 0.00 0.00 54.58 52.36 3nqo n ASN 147 Cb 0.80 -0.53 0.00 0.00 -2.36 0.00 0.00 39.78 37.70 3nqo n ASN 147 CO 0.00 0.00 0.00 0.61 -1.03 0.00 0.00 177.26 176.84 3nqo n GLY 148 N 0.96 1.44 3.45 4.83 0.00 -0.40 -5.04 105.19 110.43 3nqo n GLY 148 Ca 0.21 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.83 3nqo n GLY 148 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 3nqo s GLU 149 N -0.48 3.19 0.65 1.61 8.01 -1.26 -5.07 118.70 125.34 3nqo s GLU 149 Ca 0.00 -0.84 -0.11 0.00 0.01 0.00 0.00 54.97 54.03 3nqo s GLU 149 Cb 0.00 -3.73 -0.02 0.00 -4.31 0.00 0.00 34.13 26.07 3nqo s GLU 149 CO 0.00 -0.55 1.05 -1.21 0.01 0.00 0.00 175.26 174.57 3nqo s GLU 150 N 1.63 3.35 0.38 1.61 2.02 -1.26 -4.05 118.70 122.38 3nqo s GLU 150 Ca 0.04 0.68 -0.27 0.00 0.02 0.00 0.00 54.97 55.44 3nqo s GLU 150 Cb -0.18 -2.06 -0.09 0.00 0.10 0.00 0.00 34.13 31.90 3nqo s GLU 150 CO 0.08 -0.73 1.29 -1.14 0.02 0.00 0.00 175.26 174.77 3nqo s GLN 151 N -5.22 4.13 -0.78 1.61 0.74 -1.26 -4.98 119.66 113.89 3nqo s GLN 151 Ca 0.56 2.14 -0.06 0.00 0.05 0.00 0.00 55.36 58.05 3nqo s GLN 151 Cb -0.11 -2.87 0.20 0.00 1.10 0.00 0.00 33.01 31.33 3nqo s GLN 151 CO 0.53 -0.35 0.66 0.34 -0.55 0.00 0.00 175.29 175.92 3nqo s ASP 152 N -0.69 5.95 0.20 6.67 -1.08 -1.26 -5.06 116.67 121.40 3nqo s ASP 152 Ca 0.54 -3.10 0.00 0.00 -0.52 0.00 0.00 52.55 49.46 3nqo s ASP 152 Cb -0.38 -1.98 0.00 0.00 -1.46 0.00 0.00 42.92 39.10 3nqo s ASP 152 CO 0.49 -0.36 0.00 0.61 0.52 0.00 0.00 175.17 176.43 3nqo n GLY 153 N 3.23 1.23 1.61 2.66 0.00 -1.26 -4.68 105.19 107.98 3nqo n GLY 153 Ca 0.14 -2.01 -0.14 0.00 0.00 0.00 0.00 46.02 44.01 3nqo n GLY 153 CO 0.00 0.00 0.00 0.69 0.00 0.00 0.00 173.32 174.01 3nqo n PHE 154 N -1.08 1.91 0.47 1.61 3.01 -1.26 -4.69 117.46 117.43 3nqo n PHE 154 Ca 0.00 -1.85 0.12 0.00 1.01 0.00 0.00 57.45 56.73 3nqo n PHE 154 Cb 0.00 -0.69 0.24 0.00 -0.01 0.00 0.00 39.48 39.03 3nqo n PHE 154 CO 0.00 0.00 0.00 0.93 1.01 0.00 0.00 176.76 178.70 3nqo h GLU 155 N 1.17 0.00 0.00 -1.08 5.08 -2.02 -2.79 114.58 114.95 3nqo h GLU 155 Ca 0.38 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.74 3nqo h GLU 155 Cb 1.89 0.00 0.00 0.00 0.50 0.00 0.00 28.75 31.14 3nqo h GLU 155 CO 0.71 0.00 0.00 0.39 -1.00 0.00 0.00 179.01 179.11 3nqo n GLU 156 N -2.43 0.02 0.16 2.33 -0.58 -1.26 -2.41 120.64 116.47 3nqo n GLU 156 Ca 0.04 0.37 0.17 0.00 -0.42 0.00 0.00 57.16 57.31 3nqo n GLU 156 Cb 0.47 -1.50 0.77 0.00 -0.57 0.00 0.00 31.44 30.61 3nqo n GLU 156 CO 0.00 0.00 0.00 -0.44 -0.48 0.00 0.00 177.13 176.21 3nqo h ASP 157 N 0.00 0.00 0.56 1.62 3.32 -1.89 -3.29 116.42 116.74 3nqo h ASP 157 Ca 0.00 0.00 -0.03 0.00 0.02 0.00 0.00 57.03 57.02 3nqo h ASP 157 Cb 0.06 0.00 0.01 0.00 0.22 0.00 0.00 39.33 39.62 3nqo h ASP 157 CO 0.00 0.00 -0.27 0.00 -1.72 0.00 0.00 179.24 177.25 3nqo h ALA 158 N 1.78 -0.75 -0.35 3.45 0.00 -1.75 -3.55 119.26 118.09 3nqo h ALA 158 Ca 0.12 -0.17 -0.62 0.00 0.00 0.00 0.00 54.91 54.25 3nqo h ALA 158 Cb 0.57 0.29 -0.03 0.00 0.00 0.00 0.00 17.79 18.62 3nqo h ALA 158 CO -0.00 -0.70 2.28 0.27 0.00 0.00 0.00 179.25 181.10 3nqo n ASN 159 N -5.28 3.75 -4.02 0.00 0.23 -1.24 -5.23 115.26 103.47 3nqo n ASN 159 Ca -0.09 -2.80 -0.31 0.00 -0.53 0.00 0.00 54.58 50.84 3nqo n ASN 159 Cb 0.30 -1.59 -0.15 0.00 -2.08 0.00 0.00 39.78 36.26 3nqo n ASN 159 CO 0.00 0.00 0.00 -0.70 -0.93 0.00 0.00 177.26 175.63 3nqo s GLU 165 N 4.53 2.05 -0.81 -3.83 2.56 -1.26 -5.15 118.70 116.79 3nqo s GLU 165 Ca 0.55 -1.16 -0.15 0.00 0.00 0.00 0.00 54.97 54.21 3nqo s GLU 165 Cb 0.08 -2.73 0.19 0.00 2.00 0.00 0.00 34.13 33.67 3nqo s GLU 165 CO 0.05 -0.55 0.81 0.42 -0.56 0.00 0.00 175.26 175.43 3nqo s ILE 166 N 1.23 5.37 0.70 -3.70 1.01 -1.26 -5.01 121.20 119.54 3nqo s ILE 166 Ca -0.07 -2.15 -0.12 0.00 0.00 0.00 0.00 60.65 58.32 3nqo s ILE 166 Cb -0.19 -4.52 0.16 0.00 0.01 0.00 0.00 42.46 37.92 3nqo s ILE 166 CO -0.06 -1.11 0.94 -0.90 0.00 0.00 0.00 174.94 173.80 3nqo n ASP 167 N 4.69 0.02 0.11 3.58 5.75 -1.26 -4.80 116.55 124.65 3nqo n ASP 167 Ca 0.12 -1.33 -0.13 0.00 -0.01 0.00 0.00 54.79 53.44 3nqo n ASP 167 Cb 0.47 -0.72 -0.07 0.00 -1.03 0.00 0.00 41.12 39.77 3nqo n ASP 167 CO 0.00 0.00 0.00 0.50 -0.11 0.00 0.00 177.20 177.59 3nqo h LYS 168 N 0.00 -0.22 -0.42 0.11 1.63 -1.98 0.05 116.57 115.73 3nqo h LYS 168 Ca -0.30 0.01 0.08 0.00 -0.85 0.00 0.00 60.65 59.60 3nqo h LYS 168 Cb 0.84 0.05 -0.08 0.00 -0.60 0.00 0.00 32.23 32.44 3nqo h LYS 168 CO 0.21 -0.14 -0.11 0.82 -3.45 0.00 0.00 179.45 176.78 3nqo h ILE 169 N -0.23 0.56 -0.73 2.00 5.03 -2.00 0.02 117.51 122.17 3nqo h ILE 169 Ca -0.01 0.00 -0.04 0.00 -0.12 0.00 0.00 64.86 64.68 3nqo h ILE 169 Cb 0.19 0.56 -0.03 0.00 -3.03 0.00 0.00 36.82 34.51 3nqo h ILE 169 CO 0.01 0.00 0.29 0.11 -0.68 0.00 0.00 178.15 177.88 3nqo h LYS 170 N -0.01 1.08 -0.82 2.37 6.56 -1.90 -1.89 116.57 121.95 3nqo h LYS 170 Ca 0.20 -0.19 -0.01 0.00 -1.06 0.00 0.00 60.65 59.59 3nqo h LYS 170 Cb 0.32 -0.18 -0.04 0.00 -0.57 0.00 0.00 32.23 31.76 3nqo h LYS 170 CO -0.44 0.88 0.46 0.66 -2.06 0.00 0.00 179.45 178.95 3nqo h SER 171 N 1.06 1.01 -0.36 0.86 4.64 0.32 -0.59 113.55 120.48 3nqo h SER 171 Ca 0.24 -0.08 -0.16 0.00 -0.47 0.00 0.00 61.79 61.33 3nqo h SER 171 Cb 0.21 -0.26 -0.01 0.00 -0.31 0.00 0.00 62.40 62.04 3nqo h SER 171 CO -0.02 0.80 -0.38 -0.33 -0.87 0.00 0.00 176.83 176.03 3nqo h GLU 172 N 1.14 0.90 -0.75 4.77 4.39 -0.76 0.13 114.58 124.40 3nqo h GLU 172 Ca 0.29 -0.49 0.04 0.00 0.34 0.00 0.00 59.36 59.54 3nqo h GLU 172 Cb 0.01 0.02 -0.05 0.00 -0.10 0.00 0.00 28.75 28.63 3nqo h GLU 172 CO -0.05 1.14 0.47 0.00 -1.16 0.00 0.00 179.01 179.40 3nqo h ALA 173 N 0.75 0.99 -0.09 3.43 0.00 -1.08 -0.26 119.26 123.01 3nqo h ALA 173 Ca 0.06 -0.02 -0.15 0.00 0.00 0.00 0.00 54.91 54.79 3nqo h ALA 173 Cb 0.98 -0.23 -0.01 0.00 0.00 0.00 0.00 17.79 18.53 3nqo h ALA 173 CO 0.09 0.24 -0.61 -0.07 0.00 0.00 0.00 179.25 178.91 3nqo h LEU 174 N 0.90 0.34 -0.30 0.00 3.38 -0.71 -1.23 115.31 117.68 3nqo h LEU 174 Ca 0.31 -0.19 -0.03 0.00 0.09 0.00 0.00 57.88 58.05 3nqo h LEU 174 Cb 0.05 -0.10 -0.01 0.00 0.09 0.00 0.00 40.66 40.69 3nqo h LEU 174 CO -0.12 0.86 0.07 -0.33 0.09 0.00 0.00 178.44 179.01 3nqo h GLU 175 N 0.22 0.49 -0.61 1.13 5.08 -0.43 -2.26 114.58 118.20 3nqo h GLU 175 Ca -0.01 -0.12 -0.01 0.00 -1.00 0.00 0.00 59.36 58.23 3nqo h GLU 175 Cb 1.12 -0.06 -0.03 0.00 0.50 0.00 0.00 28.75 30.28 3nqo h GLU 175 CO 0.10 0.56 0.35 1.49 -1.00 0.00 0.00 179.01 180.51 3nqo h GLU 176 N 0.33 0.84 -0.51 2.33 4.81 -0.91 -2.37 114.58 119.09 3nqo h GLU 176 Ca 0.10 -0.09 0.10 0.00 -0.13 0.00 0.00 59.36 59.34 3nqo h GLU 176 Cb 0.30 -0.17 -0.10 0.00 0.63 0.00 0.00 28.75 29.41 3nqo h GLU 176 CO 0.00 0.63 -0.16 0.35 -0.73 0.00 0.00 179.01 179.10 3nqo h PHE 177 N 0.82 -0.36 -0.52 0.92 3.57 -1.12 -0.71 116.94 119.55 3nqo h PHE 177 Ca 0.22 0.05 -0.09 0.00 3.53 0.00 0.00 57.97 61.67 3nqo h PHE 177 Cb 0.02 0.24 -0.02 0.00 2.79 0.00 0.00 35.95 38.98 3nqo h PHE 177 CO -0.01 -0.25 -0.05 0.00 -2.23 0.00 0.00 178.31 175.77 3nqo h ALA 178 N 1.44 0.94 -0.29 2.41 0.00 -1.09 -0.95 119.26 121.71 3nqo h ALA 178 Ca 0.25 -0.31 -0.17 0.00 0.00 0.00 0.00 54.91 54.67 3nqo h ALA 178 Cb 0.41 -0.20 -0.00 0.00 0.00 0.00 0.00 17.79 18.00 3nqo h ALA 178 CO -0.55 0.63 -0.51 0.87 0.00 0.00 0.00 179.25 179.69 3nqo h LYS 179 N 0.83 0.82 0.33 0.00 1.57 -1.15 -2.19 116.57 116.79 3nqo h LYS 179 Ca 0.15 -0.50 -0.02 0.00 -1.87 0.00 0.00 60.65 58.41 3nqo h LYS 179 Cb 0.56 0.05 0.00 0.00 0.08 0.00 0.00 32.23 32.92 3nqo h LYS 179 CO 0.03 1.13 -0.16 0.00 -0.57 0.00 0.00 179.45 179.89 3nqo h ARG 180 N 0.64 -0.42 -0.88 3.15 3.08 -0.98 -2.37 114.38 116.59 3nqo h ARG 180 Ca 0.02 0.03 0.17 0.00 0.07 0.00 0.00 59.98 60.27 3nqo h ARG 180 Cb 1.10 0.10 -0.10 0.00 0.08 0.00 0.00 29.97 31.14 3nqo h ARG 180 CO 0.11 -0.18 0.45 -0.09 -1.07 0.00 0.00 179.97 179.20 3nqo h ARG 181 N -0.61 0.58 -0.18 0.04 2.43 -1.22 -1.97 114.38 113.44 3nqo h ARG 181 Ca -0.04 -0.03 0.00 0.00 -0.81 0.00 0.00 59.98 59.09 3nqo h ARG 181 Cb 0.44 -0.13 0.00 0.00 -0.42 0.00 0.00 29.97 29.86 3nqo h ARG 181 CO 0.07 0.38 0.00 0.09 -1.51 0.00 0.00 179.97 179.01 3nqo n ASN 182 N -4.89 1.55 -3.60 -3.80 3.02 -0.82 -4.69 115.26 102.02 3nqo n ASN 182 Ca 0.19 -1.74 -0.21 0.00 -0.03 0.00 0.00 54.58 52.79 3nqo n ASN 182 Cb 0.50 -0.12 0.05 0.00 -0.61 0.00 0.00 39.78 39.61 3nqo n ASN 182 CO 0.00 0.00 0.00 0.54 -2.62 0.00 0.00 177.26 175.18 3nqo n ARG 183 N 0.26 -4.57 0.15 3.52 5.12 -0.74 -4.89 116.66 115.51 3nqo n ARG 183 Ca 0.15 0.67 0.13 0.00 -1.93 0.00 0.00 57.85 56.87 3nqo n ARG 183 Cb 0.30 -5.28 0.51 0.00 -1.16 0.00 0.00 32.46 26.83 3nqo n ARG 183 CO 0.00 0.00 0.00 -0.39 -1.93 0.00 0.00 177.63 175.31 3nqo h VAL 184 N -1.79 0.00 -6.02 1.55 -1.51 -1.81 -3.43 116.25 103.24 3nqo h VAL 184 Ca -0.61 -0.32 -0.47 0.00 -1.23 0.00 0.00 66.70 64.06 3nqo h VAL 184 Cb 1.35 1.14 0.06 0.00 -2.13 0.00 0.00 31.29 31.71 3nqo h VAL 184 CO 0.53 0.00 0.03 -0.46 -1.23 0.00 0.00 177.57 176.44 3nqo n ASN 185 N -2.40 1.70 -0.26 4.19 6.94 -1.26 -4.54 115.26 119.62 3nqo n ASN 185 Ca 0.02 -2.32 -0.02 0.00 -0.02 0.00 0.00 54.58 52.24 3nqo n ASN 185 Cb 0.27 -0.55 -0.00 0.00 -2.36 0.00 0.00 39.78 37.14 3nqo n ASN 185 CO 0.00 0.00 0.00 0.29 -1.03 0.00 0.00 177.26 176.52 3nqo n LYS 186 N -2.59 -0.20 -0.03 -3.83 5.02 -1.26 -5.04 118.16 110.23 3nqo n LYS 186 Ca 0.17 0.09 -0.02 0.00 -2.02 0.00 0.00 58.31 56.52 3nqo n LYS 186 Cb 0.60 -3.61 -0.01 0.00 -0.02 0.00 0.00 35.03 31.99 3nqo n LYS 186 CO 0.00 0.00 0.00 -0.97 -0.52 0.00 0.00 177.40 175.91 3nqo h ASN 187 N -0.02 0.00 0.00 4.39 -0.73 -1.93 -3.55 115.58 113.74 3nqo h ASN 187 Ca -0.04 0.00 0.00 0.00 1.87 0.00 0.00 56.30 58.13 3nqo h ASN 187 Cb 1.03 0.00 0.00 0.00 0.27 0.00 0.00 38.32 39.62 3nqo h ASN 187 CO 0.05 0.32 0.00 -0.90 -0.37 0.00 0.00 177.43 176.53