#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1pqj s ASN 2 N 0.00 -0.19 0.29 6.12 2.20 -1.26 -5.03 114.94 117.07 1pqj s ASN 2 Ca 0.00 -0.69 0.04 0.00 -0.94 0.00 0.00 52.86 51.26 1pqj s ASN 2 Cb 0.00 0.72 0.67 0.00 -2.00 0.00 0.00 41.25 40.64 1pqj s ASN 2 CO 0.00 -1.35 1.78 -0.29 -2.94 0.00 0.00 177.10 174.29 1pqj h ILE 3 N 2.00 0.73 -0.27 0.54 6.09 -1.96 -0.47 117.51 124.17 1pqj h ILE 3 Ca -0.22 -0.26 -0.04 0.00 -1.37 0.00 0.00 64.86 62.96 1pqj h ILE 3 Cb 1.25 -0.09 -0.01 0.00 0.47 0.00 0.00 36.82 38.44 1pqj h ILE 3 CO 0.27 0.14 -0.00 -0.26 -3.07 0.00 0.00 178.15 175.23 1pqj h PHE 4 N 0.76 0.51 -0.48 2.19 0.04 -1.98 -0.17 116.94 117.82 1pqj h PHE 4 Ca 0.55 -0.09 -0.11 0.00 2.80 0.00 0.00 57.97 61.12 1pqj h PHE 4 Cb 0.80 -0.13 -0.02 0.00 2.20 0.00 0.00 35.95 38.80 1pqj h PHE 4 CO -0.03 0.63 -0.13 0.93 -0.60 0.00 0.00 178.31 179.11 1pqj h GLU 5 N 0.25 0.89 0.37 1.51 5.08 -1.85 0.49 114.58 121.33 1pqj h GLU 5 Ca 0.07 -0.32 -0.02 0.00 -1.00 0.00 0.00 59.36 58.09 1pqj h GLU 5 Cb 0.43 -0.06 0.00 0.00 0.50 0.00 0.00 28.75 29.62 1pqj h GLU 5 CO 0.01 0.97 -0.18 1.98 -1.00 0.00 0.00 179.01 180.79 1pqj h MET 6 N 0.80 -0.48 0.00 2.33 4.05 -1.04 -0.51 114.93 120.07 1pqj h MET 6 Ca 0.12 0.03 -0.08 0.00 -0.28 0.00 0.00 59.70 59.49 1pqj h MET 6 Cb 0.66 0.11 -0.01 0.00 -0.80 0.00 0.00 31.60 31.56 1pqj h MET 6 CO 0.05 -0.23 -0.40 -0.07 0.23 0.00 0.00 176.91 176.49 1pqj h LEU 7 N -0.67 0.00 -1.20 3.39 3.38 -0.94 -1.41 115.31 117.86 1pqj h LEU 7 Ca -0.05 0.00 -0.05 0.00 0.09 0.00 0.00 57.88 57.87 1pqj h LEU 7 Cb 0.48 0.00 -0.02 0.00 0.09 0.00 0.00 40.66 41.21 1pqj h LEU 7 CO 0.08 0.40 0.04 -0.09 0.09 0.00 0.00 178.44 178.96 1pqj h ARG 8 N 0.00 0.59 -0.27 1.13 9.65 0.36 -0.44 114.38 125.41 1pqj h ARG 8 Ca -0.00 -0.12 -0.13 0.00 -1.10 0.00 0.00 59.98 58.62 1pqj h ARG 8 Cb 0.71 -0.09 -0.00 0.00 -1.39 0.00 0.00 29.97 29.20 1pqj h ARG 8 CO 0.05 0.59 -0.35 0.82 2.80 0.00 0.00 179.97 183.88 1pqj h ILE 9 N 0.57 1.31 -0.03 1.20 2.04 -0.09 -2.08 117.51 120.43 1pqj h ILE 9 Ca 0.12 -1.54 -0.15 0.00 1.00 0.00 0.00 64.86 64.29 1pqj h ILE 9 Cb 0.31 1.66 -0.01 0.00 -0.74 0.00 0.00 36.82 38.04 1pqj h ILE 9 CO 0.01 0.49 -0.68 0.44 0.00 0.00 0.00 178.15 178.41 1pqj h ASP 10 N 0.44 0.18 0.00 1.72 3.32 -0.95 -3.34 116.42 117.79 1pqj h ASP 10 Ca 0.03 -0.12 0.00 0.00 0.02 0.00 0.00 57.03 56.96 1pqj h ASP 10 Cb 0.93 -0.05 0.00 0.00 0.22 0.00 0.00 39.33 40.43 1pqj h ASP 10 CO 0.08 0.80 -1.52 -0.62 -1.72 0.00 0.00 179.24 176.27 1pqj n GLU 11 N -3.79 0.78 -0.24 3.56 -0.58 -0.21 -5.09 120.64 115.08 1pqj n GLU 11 Ca -0.02 -0.12 0.03 0.00 -0.42 0.00 0.00 57.16 56.64 1pqj n GLU 11 Cb 0.67 -1.36 -0.01 0.00 -0.57 0.00 0.00 31.44 30.17 1pqj n GLU 11 CO 0.00 0.00 0.00 0.41 -0.48 0.00 0.00 177.13 177.06 1pqj n GLY 12 N 1.53 -1.90 2.66 0.62 0.00 -0.78 -4.33 105.19 102.98 1pqj n GLY 12 Ca -0.02 -1.34 -0.23 0.00 0.00 0.00 0.00 46.02 44.44 1pqj n GLY 12 CO 0.00 0.00 0.00 -2.27 0.00 0.00 0.00 173.32 171.05 1pqj s LEU 13 N 0.00 0.32 -0.07 0.99 2.96 -1.26 -4.22 118.68 117.40 1pqj s LEU 13 Ca 0.00 -0.25 -0.00 0.00 -0.22 0.00 0.00 54.13 53.65 1pqj s LEU 13 Cb 0.00 -0.23 0.02 0.00 0.50 0.00 0.00 46.19 46.48 1pqj s LEU 13 CO 0.00 -0.29 -0.04 -0.13 -1.32 0.00 0.00 176.35 174.57 1pqj s ARG 14 N 2.12 0.95 0.00 1.98 0.52 -0.45 -5.00 118.95 119.08 1pqj s ARG 14 Ca 0.03 -0.07 0.29 0.00 -0.52 0.00 0.00 55.73 55.46 1pqj s ARG 14 Cb -0.14 -1.09 1.29 0.00 0.52 0.00 0.00 34.95 35.54 1pqj s ARG 14 CO -0.06 -0.20 1.89 1.28 0.02 0.00 0.00 175.30 178.23 1pqj n LEU 15 N 4.65 0.81 -4.18 2.53 4.77 -1.26 0.20 117.00 124.52 1pqj n LEU 15 Ca -0.15 -0.22 -0.23 0.00 -0.03 0.00 0.00 56.01 55.38 1pqj n LEU 15 Cb 0.50 -0.06 -0.14 0.00 -2.33 0.00 0.00 43.42 41.40 1pqj n LEU 15 CO 0.17 0.14 -0.49 -0.75 -1.33 0.00 0.00 177.39 175.13 1pqj s LYS 16 N -2.16 1.16 0.16 3.23 2.20 -1.26 -0.27 119.74 122.80 1pqj s LYS 16 Ca 0.37 -0.80 -0.34 0.00 -0.36 0.00 0.00 55.97 54.85 1pqj s LYS 16 Cb 0.21 -1.20 -0.15 0.00 -1.51 0.00 0.00 37.83 35.18 1pqj s LYS 16 CO 0.39 0.31 1.40 -0.89 -0.36 0.00 0.00 175.35 176.20 1pqj n ILE 17 N 2.01 0.37 -4.26 5.43 5.41 -0.85 -4.73 119.36 122.73 1pqj n ILE 17 Ca -0.17 -0.09 -0.17 0.00 1.00 0.00 0.00 62.75 63.32 1pqj n ILE 17 Cb 0.54 -1.20 -0.09 0.00 -0.71 0.00 0.00 39.64 38.18 1pqj n ILE 17 CO 0.00 0.00 0.00 -0.72 0.00 0.00 0.00 176.55 175.83 1pqj s TYR 18 N 0.38 1.53 -0.10 1.39 -0.85 0.19 -4.98 117.35 114.91 1pqj s TYR 18 Ca 0.77 -1.53 -0.02 0.00 -0.52 0.00 0.00 57.07 55.77 1pqj s TYR 18 Cb -0.78 -0.68 -0.03 0.00 0.38 0.00 0.00 41.96 40.85 1pqj s TYR 18 CO 0.46 -0.74 -0.01 0.15 -1.52 0.00 0.00 175.55 173.88 1pqj s LYS 19 N -3.75 3.11 0.00 -3.49 1.02 -1.26 -0.27 119.74 115.11 1pqj s LYS 19 Ca 0.39 -0.45 0.00 0.00 0.02 0.00 0.00 55.97 55.94 1pqj s LYS 19 Cb 0.04 -2.80 0.00 0.00 -0.52 0.00 0.00 37.83 34.55 1pqj s LYS 19 CO 0.21 0.60 0.00 -0.40 -0.92 0.00 0.00 175.35 174.83 1pqj n ASP 20 N 2.46 -0.12 0.26 2.83 5.75 0.19 -4.77 116.55 123.16 1pqj n ASP 20 Ca -0.18 -0.60 0.13 0.00 -0.01 0.00 0.00 54.79 54.12 1pqj n ASP 20 Cb 0.53 0.00 0.69 0.00 -1.03 0.00 0.00 41.12 41.31 1pqj n ASP 20 CO 0.00 0.00 0.00 0.71 -0.11 0.00 0.00 177.20 177.80 1pqj h THR 21 N -0.75 0.53 -0.01 2.12 1.35 -1.99 -1.32 112.91 112.84 1pqj h THR 21 Ca 0.00 -0.63 0.00 0.00 -0.55 0.00 0.00 66.41 65.23 1pqj h THR 21 Cb 0.00 1.42 0.00 0.00 -1.73 0.00 0.00 68.15 67.84 1pqj h THR 21 CO 0.00 0.13 -0.27 -0.62 -0.25 0.00 0.00 175.52 174.51 1pqj n GLU 22 N -3.56 0.77 -0.79 4.72 -0.58 -1.26 -4.93 120.64 115.02 1pqj n GLU 22 Ca -0.01 -0.45 0.00 0.00 -0.42 0.00 0.00 57.16 56.28 1pqj n GLU 22 Cb 0.27 -1.49 0.00 0.00 -0.57 0.00 0.00 31.44 29.65 1pqj n GLU 22 CO 0.00 0.00 0.00 0.41 -0.48 0.00 0.00 177.13 177.06 1pqj n GLY 23 N 1.35 0.73 3.86 0.62 0.00 -0.50 -5.07 105.19 106.18 1pqj n GLY 23 Ca 0.12 -0.63 -0.25 0.00 0.00 0.00 0.00 46.02 45.25 1pqj n GLY 23 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 1pqj s TYR 24 N -2.00 3.27 0.14 1.61 4.12 -1.26 -4.65 117.35 118.58 1pqj s TYR 24 Ca 0.00 0.01 -0.31 0.00 0.02 0.00 0.00 57.07 56.79 1pqj s TYR 24 Cb 0.00 -1.55 -0.09 0.00 -1.52 0.00 0.00 41.96 38.81 1pqj s TYR 24 CO 0.00 0.51 1.45 0.71 0.02 0.00 0.00 175.55 178.24 1pqj s TYR 25 N -1.81 3.18 0.18 2.71 4.12 -1.20 0.57 117.35 125.10 1pqj s TYR 25 Ca 0.32 0.86 -0.09 0.00 0.02 0.00 0.00 57.07 58.19 1pqj s TYR 25 Cb -0.10 -3.76 -0.01 0.00 -1.52 0.00 0.00 41.96 36.56 1pqj s TYR 25 CO 0.25 -2.71 0.30 0.99 0.02 0.00 0.00 175.55 174.40 1pqj s THR 26 N 1.04 0.04 0.21 -0.71 2.01 0.63 -0.38 115.64 118.47 1pqj s THR 26 Ca 0.66 -1.48 -0.21 0.00 0.31 0.00 0.00 61.69 60.97 1pqj s THR 26 Cb -0.39 -2.00 0.04 0.00 0.01 0.00 0.00 72.50 70.15 1pqj s THR 26 CO 0.31 -0.20 0.61 -0.51 -0.69 0.00 0.00 174.62 174.14 1pqj s ILE 27 N -4.00 0.01 0.00 1.82 2.07 -0.90 -0.63 121.20 119.56 1pqj s ILE 27 Ca 0.21 -0.54 0.00 0.00 -1.41 0.00 0.00 60.65 58.91 1pqj s ILE 27 Cb 0.03 -1.47 0.00 0.00 0.13 0.00 0.00 42.46 41.15 1pqj s ILE 27 CO 0.03 -0.04 0.00 0.61 -1.91 0.00 0.00 174.94 173.64 1pqj n GLY 28 N -0.39 3.27 3.11 1.50 0.00 0.55 -0.82 105.19 112.41 1pqj n GLY 28 Ca -0.11 -0.14 -0.40 0.00 0.00 0.00 0.00 46.02 45.37 1pqj n GLY 28 CO 0.00 0.00 0.00 1.39 0.00 0.00 0.00 173.32 174.71 1pqj n ILE 29 N 0.00 4.01 -2.36 -0.61 5.41 -1.26 -1.33 119.36 123.21 1pqj n ILE 29 Ca 0.00 -5.40 -0.16 0.00 1.00 0.00 0.00 62.75 58.19 1pqj n ILE 29 Cb 0.00 -2.36 -0.00 0.00 -0.71 0.00 0.00 39.64 36.57 1pqj n ILE 29 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 176.55 177.16 1pqj n GLY 30 N 2.09 -0.27 3.47 7.39 0.00 -1.24 -4.89 105.19 111.74 1pqj n GLY 30 Ca 0.24 -0.21 -0.43 0.00 0.00 0.00 0.00 46.02 45.62 1pqj n GLY 30 CO 0.00 0.00 0.00 -1.58 0.00 0.00 0.00 173.32 171.74 1pqj s HIS 31 N -2.81 2.94 0.19 1.61 5.04 -0.00 -4.92 115.29 117.33 1pqj s HIS 31 Ca 0.03 -0.36 -0.32 0.00 -1.54 0.00 0.00 55.06 52.87 1pqj s HIS 31 Cb -0.01 -3.78 -0.11 0.00 0.04 0.00 0.00 32.58 28.71 1pqj s HIS 31 CO 0.03 -1.18 1.71 -1.17 -2.34 0.00 0.00 174.74 171.79 1pqj s LEU 32 N 3.18 4.37 -0.21 8.88 2.96 -1.26 -2.12 118.68 134.48 1pqj s LEU 32 Ca 0.21 2.80 0.03 0.00 -0.22 0.00 0.00 54.13 56.95 1pqj s LEU 32 Cb -0.17 -3.59 -0.20 0.00 0.50 0.00 0.00 46.19 42.72 1pqj s LEU 32 CO 0.14 -0.95 -0.02 0.18 -1.32 0.00 0.00 176.35 174.39 1pqj n LEU 33 N 4.25 2.38 -3.61 -0.68 4.77 0.49 -4.96 117.00 119.65 1pqj n LEU 33 Ca 0.16 -0.02 -0.04 0.00 -0.03 0.00 0.00 56.01 56.08 1pqj n LEU 33 Cb 0.36 -0.70 -0.03 0.00 -2.33 0.00 0.00 43.42 40.73 1pqj n LEU 33 CO 0.64 0.83 1.03 0.28 -1.33 0.00 0.00 177.39 178.84 1pqj s THR 34 N -2.53 0.00 -2.64 -5.08 -1.32 -1.21 -4.88 115.64 97.99 1pqj s THR 34 Ca -0.27 0.00 0.26 0.00 -1.21 0.00 0.00 61.69 60.47 1pqj s THR 34 Cb 0.08 -1.00 0.41 0.00 -1.51 0.00 0.00 72.50 70.48 1pqj s THR 34 CO 0.68 0.00 1.56 0.29 -2.21 0.00 0.00 174.62 174.94 1pqj n LYS 35 N 0.08 1.85 -2.27 7.08 5.02 -1.26 -3.23 118.16 125.43 1pqj n LYS 35 Ca -0.00 -1.28 -0.40 0.00 -2.02 0.00 0.00 58.31 54.62 1pqj n LYS 35 Cb 0.58 -1.47 -0.02 0.00 -0.02 0.00 0.00 35.03 34.09 1pqj n LYS 35 CO 0.00 0.00 0.00 0.45 -0.52 0.00 0.00 177.40 177.33 1pqj s SER 36 N -2.03 6.77 0.03 4.39 0.15 -1.26 -4.95 113.70 116.80 1pqj s SER 36 Ca 0.34 2.46 0.26 0.00 0.70 0.00 0.00 55.95 59.70 1pqj s SER 36 Cb 0.21 -2.63 1.08 0.00 -1.71 0.00 0.00 66.02 62.97 1pqj s SER 36 CO 0.33 -0.51 1.82 -0.81 1.20 0.00 0.00 173.24 175.28 1pqj n PRO 37 N 0.58 0.03 -2.70 5.44 -0.04 -1.26 -4.67 135.00 132.38 1pqj n PRO 37 Ca 0.02 0.08 -0.43 0.00 -0.04 0.00 0.00 63.50 63.12 1pqj n PRO 37 Cb 0.44 -1.54 -0.02 0.00 -0.04 0.00 0.00 33.50 32.34 1pqj n PRO 37 CO 0.00 0.00 0.00 0.45 -0.04 0.00 0.00 175.50 175.91 1pqj s SER 38 N -3.17 6.96 0.34 3.54 0.15 -1.26 -4.94 113.70 115.31 1pqj s SER 38 Ca 0.12 1.12 0.01 0.00 0.70 0.00 0.00 55.95 57.91 1pqj s SER 38 Cb 0.16 -2.52 0.59 0.00 -1.71 0.00 0.00 66.02 62.54 1pqj s SER 38 CO 0.48 -0.75 1.98 0.25 1.20 0.00 0.00 173.24 176.40 1pqj h LEU 39 N 9.73 0.75 -0.47 3.45 5.85 -2.00 -1.60 115.31 131.03 1pqj h LEU 39 Ca -0.21 -0.04 -0.01 0.00 0.84 0.00 0.00 57.88 58.47 1pqj h LEU 39 Cb 1.07 -0.19 -0.02 0.00 0.37 0.00 0.00 40.66 41.89 1pqj h LEU 39 CO 0.99 0.57 0.26 0.78 -0.34 0.00 0.00 178.44 180.70 1pqj h ASN 40 N 0.86 0.58 -0.92 1.25 2.35 -1.98 0.24 115.58 117.96 1pqj h ASN 40 Ca 0.23 -0.09 0.06 0.00 -0.55 0.00 0.00 56.30 55.95 1pqj h ASN 40 Cb -0.04 -0.15 -0.06 0.00 0.05 0.00 0.00 38.32 38.12 1pqj h ASN 40 CO -0.04 0.50 0.59 0.00 -1.65 0.00 0.00 177.43 176.82 1pqj h ALA 41 N 1.11 1.27 -0.36 -0.83 0.00 -1.76 0.62 119.26 119.31 1pqj h ALA 41 Ca 0.16 -0.02 -0.04 0.00 0.00 0.00 0.00 54.91 55.02 1pqj h ALA 41 Cb 0.05 -0.27 -0.01 0.00 0.00 0.00 0.00 17.79 17.55 1pqj h ALA 41 CO -0.03 0.36 0.08 0.00 0.00 0.00 0.00 179.25 179.67 1pqj h ALA 42 N 1.42 0.47 -0.74 0.00 0.00 -0.56 -0.53 119.26 119.32 1pqj h ALA 42 Ca 0.40 -0.19 -0.02 0.00 0.00 0.00 0.00 54.91 55.11 1pqj h ALA 42 Cb 0.16 -0.14 -0.04 0.00 0.00 0.00 0.00 17.79 17.78 1pqj h ALA 42 CO -0.17 0.15 0.40 -0.22 0.00 0.00 0.00 179.25 179.41 1pqj h LYS 43 N 0.43 1.02 -0.63 0.00 3.11 0.61 0.10 116.57 121.22 1pqj h LYS 43 Ca 0.11 -0.12 -0.03 0.00 -2.81 0.00 0.00 60.65 57.81 1pqj h LYS 43 Cb 0.31 -0.20 -0.03 0.00 -1.00 0.00 0.00 32.23 31.31 1pqj h LYS 43 CO 0.00 0.76 0.28 1.03 -2.81 0.00 0.00 179.45 178.71 1pqj h SER 44 N 1.03 0.84 -0.70 4.20 0.87 0.70 0.29 113.55 120.79 1pqj h SER 44 Ca 0.26 -0.15 0.02 0.00 -1.23 0.00 0.00 61.79 60.69 1pqj h SER 44 Cb 0.04 -0.22 -0.04 0.00 -0.44 0.00 0.00 62.40 61.74 1pqj h SER 44 CO -0.04 0.76 0.45 -0.33 -0.53 0.00 0.00 176.83 177.14 1pqj h GLU 45 N 0.87 0.88 0.01 2.24 4.39 -0.21 0.07 114.58 122.83 1pqj h GLU 45 Ca 0.21 -0.05 0.02 0.00 0.34 0.00 0.00 59.36 59.88 1pqj h GLU 45 Cb 0.16 -0.20 -0.03 0.00 -0.10 0.00 0.00 28.75 28.58 1pqj h GLU 45 CO -0.02 0.58 -0.14 1.25 -1.16 0.00 0.00 179.01 179.52 1pqj h LEU 46 N 0.91 -0.40 -0.75 1.33 5.85 0.03 -0.10 115.31 122.18 1pqj h LEU 46 Ca 0.27 0.06 0.12 0.00 0.84 0.00 0.00 57.88 59.17 1pqj h LEU 46 Cb -0.05 0.17 -0.09 0.00 0.37 0.00 0.00 40.66 41.06 1pqj h LEU 46 CO -0.08 -0.19 0.34 0.44 -0.34 0.00 0.00 178.44 178.60 1pqj h ASP 47 N -0.24 0.38 -0.84 1.25 3.32 -0.38 -0.33 116.42 119.58 1pqj h ASP 47 Ca 0.04 0.09 -0.03 0.00 0.02 0.00 0.00 57.03 57.15 1pqj h ASP 47 Cb 0.29 0.04 -0.04 0.00 0.22 0.00 0.00 39.33 39.84 1pqj h ASP 47 CO -0.13 0.18 0.41 0.50 -1.72 0.00 0.00 179.24 178.49 1pqj h LYS 48 N 0.52 1.21 -0.06 3.56 3.64 -0.29 0.13 116.57 125.28 1pqj h LYS 48 Ca 0.39 -0.17 -0.00 0.00 -1.27 0.00 0.00 60.65 59.60 1pqj h LYS 48 Cb 0.53 -0.22 -0.00 0.00 -0.41 0.00 0.00 32.23 32.13 1pqj h LYS 48 CO -0.35 0.92 0.02 0.00 -2.27 0.00 0.00 179.45 177.78 1pqj h ALA 49 N 1.25 0.08 0.03 5.00 0.00 0.57 -3.24 119.26 122.95 1pqj h ALA 49 Ca 0.29 -0.10 -0.24 0.00 0.00 0.00 0.00 54.91 54.87 1pqj h ALA 49 Cb 0.10 -0.03 -0.03 0.00 0.00 0.00 0.00 17.79 17.84 1pqj h ALA 49 CO -0.04 -0.32 -1.16 0.82 0.00 0.00 0.00 179.25 178.55 1pqj h ILE 50 N -0.07 1.54 0.00 0.00 1.08 -1.18 -3.49 117.51 115.40 1pqj h ILE 50 Ca 0.02 -3.25 0.00 0.00 -0.39 0.00 0.00 64.86 61.24 1pqj h ILE 50 Cb 0.18 2.80 0.00 0.00 -3.07 0.00 0.00 36.82 36.74 1pqj h ILE 50 CO -0.00 0.90 0.00 0.61 -0.69 0.00 0.00 178.15 178.96 1pqj n GLY 51 N 1.42 1.00 3.70 5.37 0.00 0.45 -5.06 105.19 112.07 1pqj n GLY 51 Ca -0.04 -0.54 -0.06 0.00 0.00 0.00 0.00 46.02 45.37 1pqj n GLY 51 CO 0.00 0.00 0.00 1.09 0.00 0.00 0.00 173.32 174.41 1pqj s ARG 52 N -2.78 1.26 -0.76 1.61 1.70 -1.13 -5.06 118.95 113.79 1pqj s ARG 52 Ca 0.00 -0.65 -0.23 0.00 -0.47 0.00 0.00 55.73 54.38 1pqj s ARG 52 Cb 0.00 0.46 0.06 0.00 -0.57 0.00 0.00 34.95 34.91 1pqj s ARG 52 CO 0.00 -0.57 1.13 1.21 -1.08 0.00 0.00 175.30 175.99 1pqj s ASN 53 N -2.83 6.27 -0.12 -2.89 2.47 -1.26 -4.36 114.94 112.21 1pqj s ASN 53 Ca 0.10 -1.03 0.16 0.00 0.42 0.00 0.00 52.86 52.51 1pqj s ASN 53 Cb -0.02 -2.47 -0.24 0.00 -1.45 0.00 0.00 41.25 37.06 1pqj s ASN 53 CO -0.00 -1.52 0.36 0.35 -3.72 0.00 0.00 177.10 172.57 1pqj n THR 54 N 6.11 1.39 -3.21 -5.21 -2.24 -1.26 -5.02 114.28 104.85 1pqj n THR 54 Ca 0.06 -0.81 -0.16 0.00 -2.27 0.00 0.00 64.05 60.88 1pqj n THR 54 Cb 0.48 -0.67 0.06 0.00 -2.10 0.00 0.00 70.33 68.10 1pqj n THR 54 CO 0.00 0.00 0.00 -3.20 -0.57 0.00 0.00 175.07 171.30 1pqj n ASN 55 N -2.84 -4.32 -0.34 3.42 5.15 -1.26 -3.75 115.26 111.31 1pqj n ASN 55 Ca -0.24 -0.40 -0.04 0.00 -0.60 0.00 0.00 54.58 53.30 1pqj n ASN 55 Cb 1.07 -3.72 -0.02 0.00 -0.53 0.00 0.00 39.78 36.58 1pqj n ASN 55 CO 0.00 0.00 0.00 0.61 1.40 0.00 0.00 177.26 179.27 1pqj n GLY 56 N -1.45 0.52 3.02 8.20 0.00 -1.26 -5.01 105.19 109.20 1pqj n GLY 56 Ca -0.05 -0.06 -0.22 0.00 0.00 0.00 0.00 46.02 45.69 1pqj n GLY 56 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1pqj s VAL 57 N -1.58 0.92 0.43 1.61 1.01 -1.25 -2.01 120.40 119.53 1pqj s VAL 57 Ca 0.00 -0.42 0.03 0.00 0.00 0.00 0.00 61.98 61.59 1pqj s VAL 57 Cb 0.00 -0.82 -0.03 0.00 0.00 0.00 0.00 36.38 35.53 1pqj s VAL 57 CO 0.00 0.29 0.07 0.27 0.00 0.00 0.00 175.10 175.73 1pqj s ILE 58 N 0.29 0.96 0.43 2.22 -4.36 0.63 -4.90 121.20 116.47 1pqj s ILE 58 Ca -0.06 -2.00 0.01 0.00 -0.26 0.00 0.00 60.65 58.34 1pqj s ILE 58 Cb -0.11 -2.39 -0.01 0.00 1.25 0.00 0.00 42.46 41.21 1pqj s ILE 58 CO 0.01 0.00 0.65 0.42 0.24 0.00 0.00 174.94 176.26 1pqj s THR 59 N -3.08 4.11 0.14 8.37 -4.23 -1.26 -4.78 115.64 114.91 1pqj s THR 59 Ca 0.20 -0.52 -0.17 0.00 -1.18 0.00 0.00 61.69 60.02 1pqj s THR 59 Cb 0.04 -3.51 -0.00 0.00 1.34 0.00 0.00 72.50 70.36 1pqj s THR 59 CO 0.11 -0.35 1.75 0.50 -0.54 0.00 0.00 174.62 176.09 1pqj h LYS 60 N 0.46 0.23 -1.00 3.99 3.64 -1.98 0.16 116.57 122.07 1pqj h LYS 60 Ca -0.46 -0.01 0.04 0.00 -1.27 0.00 0.00 60.65 58.95 1pqj h LYS 60 Cb 1.25 -0.05 -0.06 0.00 -0.41 0.00 0.00 32.23 32.96 1pqj h LYS 60 CO 0.57 0.15 0.65 -0.44 -2.27 0.00 0.00 179.45 178.11 1pqj h ASP 61 N 0.23 1.07 -0.51 4.20 5.19 -1.99 0.11 116.42 124.73 1pqj h ASP 61 Ca 0.13 -0.00 -0.05 0.00 -0.62 0.00 0.00 57.03 56.49 1pqj h ASP 61 Cb 0.11 -0.24 -0.02 0.00 0.18 0.00 0.00 39.33 39.36 1pqj h ASP 61 CO -0.14 0.72 0.14 -0.33 -3.12 0.00 0.00 179.24 176.51 1pqj h GLU 62 N 1.24 0.81 -0.69 3.56 5.08 -1.63 0.25 114.58 123.20 1pqj h GLU 62 Ca 0.41 -0.19 0.01 0.00 -1.00 0.00 0.00 59.36 58.59 1pqj h GLU 62 Cb 0.05 -0.11 -0.03 0.00 0.50 0.00 0.00 28.75 29.15 1pqj h GLU 62 CO -0.14 0.77 0.46 0.00 -1.00 0.00 0.00 179.01 179.10 1pqj h ALA 63 N 1.01 0.88 -0.54 3.43 0.00 0.16 0.21 119.26 124.41 1pqj h ALA 63 Ca 0.16 -0.05 -0.08 0.00 0.00 0.00 0.00 54.91 54.94 1pqj h ALA 63 Cb 0.31 -0.28 -0.02 0.00 0.00 0.00 0.00 17.79 17.80 1pqj h ALA 63 CO -0.00 0.29 0.01 0.93 0.00 0.00 0.00 179.25 180.49 1pqj h GLU 64 N 0.93 0.91 -0.04 0.00 5.08 -0.45 -0.27 114.58 120.74 1pqj h GLU 64 Ca 0.25 -0.26 0.03 0.00 -1.00 0.00 0.00 59.36 58.38 1pqj h GLU 64 Cb -0.10 -0.10 -0.03 0.00 0.50 0.00 0.00 28.75 29.01 1pqj h GLU 64 CO -0.06 0.90 -0.14 -0.22 -1.00 0.00 0.00 179.01 178.49 1pqj h LYS 65 N 0.85 -0.21 -0.02 2.33 3.64 0.42 0.74 116.57 124.31 1pqj h LYS 65 Ca 0.16 0.01 -0.06 0.00 -1.27 0.00 0.00 60.65 59.50 1pqj h LYS 65 Cb 0.48 0.05 -0.01 0.00 -0.41 0.00 0.00 32.23 32.34 1pqj h LYS 65 CO 0.02 -0.14 -0.25 -0.07 -2.27 0.00 0.00 179.45 176.74 1pqj h LEU 66 N -0.22 0.03 -0.51 5.20 3.38 -0.72 -2.31 115.31 120.17 1pqj h LEU 66 Ca 0.06 -0.01 -0.10 0.00 0.09 0.00 0.00 57.88 57.93 1pqj h LEU 66 Cb 0.30 -0.01 -0.02 0.00 0.09 0.00 0.00 40.66 41.03 1pqj h LEU 66 CO -0.17 0.28 -0.06 0.15 0.09 0.00 0.00 178.44 178.73 1pqj h PHE 67 N 0.03 1.04 -0.34 1.13 -0.00 0.41 0.12 116.94 119.33 1pqj h PHE 67 Ca 0.00 -0.20 0.02 0.00 -0.00 0.00 0.00 57.97 57.79 1pqj h PHE 67 Cb 0.46 -0.26 -0.03 0.00 -0.00 0.00 0.00 35.95 36.12 1pqj h PHE 67 CO 0.00 0.98 0.17 -0.91 -0.00 0.00 0.00 178.31 178.55 1pqj h ASN 68 N 0.80 0.26 -0.84 0.41 2.35 -0.53 -0.68 115.58 117.35 1pqj h ASN 68 Ca 0.14 0.01 0.06 0.00 -0.55 0.00 0.00 56.30 55.96 1pqj h ASN 68 Cb 0.61 -0.04 -0.06 0.00 0.05 0.00 0.00 38.32 38.88 1pqj h ASN 68 CO 0.04 0.19 0.51 1.56 -1.65 0.00 0.00 177.43 178.08 1pqj h GLN 69 N 0.35 0.90 -0.60 0.81 4.20 -1.21 -0.12 115.11 119.44 1pqj h GLN 69 Ca 0.14 -0.05 -0.05 0.00 0.06 0.00 0.00 58.65 58.75 1pqj h GLN 69 Cb 0.05 -0.20 -0.03 0.00 0.30 0.00 0.00 27.48 27.60 1pqj h GLN 69 CO -0.09 0.60 0.20 -0.44 -0.67 0.00 0.00 178.83 178.42 1pqj h ASP 70 N 0.93 0.87 -0.06 1.46 3.32 0.50 -1.14 116.42 122.30 1pqj h ASP 70 Ca 0.37 -0.20 -0.02 0.00 0.02 0.00 0.00 57.03 57.20 1pqj h ASP 70 Cb 0.18 -0.23 -0.00 0.00 0.22 0.00 0.00 39.33 39.50 1pqj h ASP 70 CO -0.18 0.84 -0.03 0.58 -1.72 0.00 0.00 179.24 178.73 1pqj h VAL 71 N 0.86 1.32 -0.23 -1.35 2.07 -0.83 -1.69 116.25 116.40 1pqj h VAL 71 Ca 0.20 -1.03 0.05 0.00 0.82 0.00 0.00 66.70 66.73 1pqj h VAL 71 Cb 0.27 1.88 -0.04 0.00 -1.52 0.00 0.00 31.29 31.88 1pqj h VAL 71 CO -0.01 0.28 -0.06 -0.78 0.02 0.00 0.00 177.57 177.03 1pqj h ASP 72 N -0.24 -0.21 -0.74 0.57 3.58 -0.93 -1.37 116.42 117.06 1pqj h ASP 72 Ca 0.01 0.07 0.06 0.00 0.42 0.00 0.00 57.03 57.59 1pqj h ASP 72 Cb 0.47 0.14 -0.05 0.00 1.72 0.00 0.00 39.33 41.62 1pqj h ASP 72 CO 0.01 -0.08 0.49 0.00 -2.88 0.00 0.00 179.24 176.78 1pqj h ALA 73 N 1.23 1.65 -0.29 -0.78 0.00 -1.17 0.33 119.26 120.24 1pqj h ALA 73 Ca 0.11 -0.02 -0.04 0.00 0.00 0.00 0.00 54.91 54.96 1pqj h ALA 73 Cb 0.17 -0.21 -0.01 0.00 0.00 0.00 0.00 17.79 17.74 1pqj h ALA 73 CO -0.24 0.24 0.02 0.00 0.00 0.00 0.00 179.25 179.27 1pqj h ALA 74 N 1.59 0.39 0.08 0.00 0.00 -0.55 0.24 119.26 121.00 1pqj h ALA 74 Ca 0.32 -0.22 -0.00 0.00 0.00 0.00 0.00 54.91 55.01 1pqj h ALA 74 Cb 0.20 -0.11 0.00 0.00 0.00 0.00 0.00 17.79 17.89 1pqj h ALA 74 CO -0.10 0.11 -0.04 0.28 0.00 0.00 0.00 179.25 179.51 1pqj h VAL 75 N 0.30 0.98 -1.00 0.00 2.07 -0.59 -1.24 116.25 116.77 1pqj h VAL 75 Ca 0.08 -0.20 0.11 0.00 0.82 0.00 0.00 66.70 67.51 1pqj h VAL 75 Cb 0.40 1.12 -0.08 0.00 -1.52 0.00 0.00 31.29 31.20 1pqj h VAL 75 CO 0.01 0.05 0.63 0.03 0.02 0.00 0.00 177.57 178.31 1pqj h ARG 76 N -0.19 1.00 0.00 1.57 3.08 -0.16 -0.41 114.38 119.27 1pqj h ARG 76 Ca -0.01 -0.06 -0.08 0.00 0.07 0.00 0.00 59.98 59.90 1pqj h ARG 76 Cb 0.16 -0.23 -0.01 0.00 0.08 0.00 0.00 29.97 29.97 1pqj h ARG 76 CO 0.02 0.66 -0.38 0.78 -1.07 0.00 0.00 179.97 179.99 1pqj h GLY 77 N 1.04 0.00 1.09 0.04 0.00 -0.20 -2.32 103.07 102.71 1pqj h GLY 77 Ca 0.48 0.00 -0.11 0.00 0.00 0.00 0.00 47.33 47.70 1pqj h GLY 77 CO -0.24 0.00 -0.08 -2.22 0.00 0.00 0.00 176.54 174.00 1pqj h ILE 78 N 0.00 1.27 0.00 2.60 2.04 0.09 -1.82 117.51 121.68 1pqj h ILE 78 Ca -0.00 -1.24 0.00 0.00 1.00 0.00 0.00 64.86 64.62 1pqj h ILE 78 Cb 1.03 0.92 0.00 0.00 -0.74 0.00 0.00 36.82 38.03 1pqj h ILE 78 CO 0.05 0.44 0.00 -0.07 0.00 0.00 0.00 178.15 178.57 1pqj h LEU 79 N 0.93 0.00 -1.98 1.44 3.38 -0.84 -2.04 115.31 116.19 1pqj h LEU 79 Ca 0.15 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.12 1pqj h LEU 79 Cb 0.65 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.40 1pqj h LEU 79 CO 0.04 0.00 0.00 0.54 0.09 0.00 0.00 178.44 179.11 1pqj n ARG 80 N -2.83 2.34 -3.39 1.13 1.74 -0.84 -4.78 116.66 110.03 1pqj n ARG 80 Ca 0.00 -1.97 -0.41 0.00 -0.77 0.00 0.00 57.85 54.70 1pqj n ARG 80 Cb 0.24 -1.48 -0.09 0.00 -1.02 0.00 0.00 32.46 30.11 1pqj n ARG 80 CO 0.00 0.00 0.00 1.21 -1.52 0.00 0.00 177.63 177.32 1pqj s ASN 81 N -1.82 6.18 0.55 0.55 3.84 -0.75 -4.92 114.94 118.57 1pqj s ASN 81 Ca 0.32 -0.26 0.23 0.00 0.21 0.00 0.00 52.86 53.37 1pqj s ASN 81 Cb 0.21 -2.20 1.46 0.00 -0.55 0.00 0.00 41.25 40.17 1pqj s ASN 81 CO 0.31 -0.36 2.11 0.00 -2.79 0.00 0.00 177.10 176.37 1pqj h ALA 82 N 8.48 2.02 0.04 1.71 0.00 -1.88 -0.07 119.26 129.56 1pqj h ALA 82 Ca -0.30 -0.01 -0.27 0.00 0.00 0.00 0.00 54.91 54.34 1pqj h ALA 82 Cb 1.14 0.01 -0.03 0.00 0.00 0.00 0.00 17.79 18.91 1pqj h ALA 82 CO 0.70 -0.24 -1.44 0.87 0.00 0.00 0.00 179.25 179.15 1pqj h LYS 83 N 0.00 0.08 0.07 0.00 6.56 -1.92 -3.40 116.57 117.97 1pqj h LYS 83 Ca 0.08 -0.14 -0.22 0.00 -1.06 0.00 0.00 60.65 59.32 1pqj h LYS 83 Cb 0.37 0.05 0.02 0.00 -0.57 0.00 0.00 32.23 32.10 1pqj h LYS 83 CO -0.00 0.86 -0.89 -0.07 -2.06 0.00 0.00 179.45 177.29 1pqj h LEU 84 N 0.02 0.65 -0.58 2.94 3.38 -1.48 -3.38 115.31 116.86 1pqj h LEU 84 Ca -0.19 -0.83 0.11 0.00 0.09 0.00 0.00 57.88 57.07 1pqj h LEU 84 Cb 1.94 -0.20 -0.09 0.00 0.09 0.00 0.00 40.66 42.39 1pqj h LEU 84 CO 0.12 1.41 0.06 0.50 0.09 0.00 0.00 178.44 180.62 1pqj h LYS 85 N -0.02 0.17 -0.95 1.13 3.64 -0.91 -0.96 116.57 118.67 1pqj h LYS 85 Ca -0.13 -0.01 0.04 0.00 -1.27 0.00 0.00 60.65 59.28 1pqj h LYS 85 Cb 1.61 -0.04 -0.06 0.00 -0.41 0.00 0.00 32.23 33.34 1pqj h LYS 85 CO 0.17 0.11 0.62 -1.00 -2.27 0.00 0.00 179.45 177.09 1pqj h PRO 86 N 0.18 1.13 0.59 1.90 0.13 -1.80 0.43 132.00 134.56 1pqj h PRO 86 Ca 0.30 -0.07 -0.03 0.00 -0.87 0.00 0.00 66.00 65.33 1pqj h PRO 86 Cb 0.46 -0.26 0.01 0.00 0.13 0.00 0.00 31.00 31.34 1pqj h PRO 86 CO -0.44 0.75 -0.28 0.82 -0.23 0.00 0.00 178.00 178.61 1pqj h ILE 87 N 1.17 0.41 -0.71 -3.56 1.08 -1.40 -0.57 117.51 113.94 1pqj h ILE 87 Ca 0.38 -0.04 0.07 0.00 -0.39 0.00 0.00 64.86 64.88 1pqj h ILE 87 Cb 0.05 0.43 -0.06 0.00 -3.07 0.00 0.00 36.82 34.17 1pqj h ILE 87 CO -0.12 0.01 0.40 0.22 -0.69 0.00 0.00 178.15 177.96 1pqj h TYR 88 N -0.82 0.73 -0.47 1.37 5.03 -0.76 -0.69 116.97 121.35 1pqj h TYR 88 Ca -0.08 0.03 -0.01 0.00 2.58 0.00 0.00 58.73 61.25 1pqj h TYR 88 Cb 0.62 -0.22 -0.02 0.00 1.55 0.00 0.00 36.73 38.65 1pqj h TYR 88 CO -0.03 0.34 0.25 -0.44 -1.32 0.00 0.00 178.16 176.96 1pqj h ASP 89 N 0.72 0.56 0.97 -2.11 3.45 0.06 -1.81 116.42 118.26 1pqj h ASP 89 Ca 0.32 -0.04 0.00 0.00 0.43 0.00 0.00 57.03 57.75 1pqj h ASP 89 Cb 0.22 -0.14 0.00 0.00 -0.56 0.00 0.00 39.33 38.85 1pqj h ASP 89 CO -0.20 0.46 0.00 -1.54 -1.57 0.00 0.00 179.24 176.39 1pqj n SER 90 N -4.42 0.68 -4.92 6.45 3.41 -0.24 -4.85 113.62 109.73 1pqj n SER 90 Ca 0.04 0.63 -0.26 0.00 -0.26 0.00 0.00 58.87 59.01 1pqj n SER 90 Cb 0.10 -0.79 -0.02 0.00 -0.26 0.00 0.00 64.21 63.24 1pqj n SER 90 CO 0.00 0.00 0.00 -0.76 -0.16 0.00 0.00 175.04 174.12 1pqj s LEU 91 N -4.41 3.98 0.95 1.04 1.43 -0.68 -5.06 118.68 115.92 1pqj s LEU 91 Ca 0.07 0.63 -0.13 0.00 -1.03 0.00 0.00 54.13 53.67 1pqj s LEU 91 Cb 0.10 -3.49 0.16 0.00 0.03 0.00 0.00 46.19 42.99 1pqj s LEU 91 CO 0.46 -0.29 1.14 1.51 0.23 0.00 0.00 176.35 179.40 1pqj s ASP 92 N -3.64 3.20 0.21 2.29 1.47 -1.26 -4.77 116.67 114.17 1pqj s ASP 92 Ca 0.43 0.92 -0.09 0.00 1.18 0.00 0.00 52.55 54.99 1pqj s ASP 92 Cb -0.10 -1.45 0.24 0.00 -0.34 0.00 0.00 42.92 41.27 1pqj s ASP 92 CO 0.34 -2.74 1.82 0.00 0.68 0.00 0.00 175.17 175.27 1pqj h ALA 93 N -1.63 0.92 0.57 2.11 0.00 -1.98 -0.51 119.26 118.74 1pqj h ALA 93 Ca -0.50 0.01 -0.03 0.00 0.00 0.00 0.00 54.91 54.39 1pqj h ALA 93 Cb 1.32 -0.14 0.01 0.00 0.00 0.00 0.00 17.79 18.98 1pqj h ALA 93 CO 0.58 0.08 -0.27 0.28 0.00 0.00 0.00 179.25 179.92 1pqj h VAL 94 N 0.73 0.32 -1.01 0.00 2.07 -1.94 -1.91 116.25 114.51 1pqj h VAL 94 Ca 0.30 -0.32 0.12 0.00 0.82 0.00 0.00 66.70 67.63 1pqj h VAL 94 Cb 0.17 0.42 -0.09 0.00 -1.52 0.00 0.00 31.29 30.27 1pqj h VAL 94 CO -0.17 0.04 0.63 0.03 0.02 0.00 0.00 177.57 178.12 1pqj h ARG 95 N -1.00 0.97 -0.99 1.57 3.08 -1.82 0.21 114.38 116.40 1pqj h ARG 95 Ca -0.08 -0.06 0.04 0.00 0.07 0.00 0.00 59.98 59.95 1pqj h ARG 95 Cb 0.65 -0.22 -0.06 0.00 0.08 0.00 0.00 29.97 30.43 1pqj h ARG 95 CO 0.13 0.64 0.65 0.00 -1.07 0.00 0.00 179.97 180.31 1pqj h ARG 96 N 1.00 1.21 -0.88 0.04 3.08 -0.89 -0.68 114.38 117.26 1pqj h ARG 96 Ca 0.50 -0.07 -0.01 0.00 0.07 0.00 0.00 59.98 60.47 1pqj h ARG 96 Cb 0.49 -0.27 -0.04 0.00 0.08 0.00 0.00 29.97 30.23 1pqj h ARG 96 CO -0.27 0.80 0.51 0.00 -1.07 0.00 0.00 179.97 179.94 1pqj h ALA 97 N 1.40 1.24 -0.75 0.04 0.00 0.19 0.68 119.26 122.06 1pqj h ALA 97 Ca 0.39 -0.11 -0.02 0.00 0.00 0.00 0.00 54.91 55.18 1pqj h ALA 97 Cb 0.00 -0.35 -0.04 0.00 0.00 0.00 0.00 17.79 17.41 1pqj h ALA 97 CO -0.13 0.63 0.41 0.00 0.00 0.00 0.00 179.25 180.17 1pqj h ALA 98 N 1.34 0.96 -0.64 0.00 0.00 -0.17 -0.28 119.26 120.48 1pqj h ALA 98 Ca 0.31 -0.12 -0.03 0.00 0.00 0.00 0.00 54.91 55.07 1pqj h ALA 98 Cb -0.02 -0.30 -0.03 0.00 0.00 0.00 0.00 17.79 17.44 1pqj h ALA 98 CO -0.06 0.48 0.27 1.25 0.00 0.00 0.00 179.25 181.20 1pqj h LEU 99 N 1.04 0.86 -0.66 0.00 5.85 0.29 -1.51 115.31 121.19 1pqj h LEU 99 Ca 0.26 -0.16 -0.03 0.00 0.84 0.00 0.00 57.88 58.80 1pqj h LEU 99 Cb 0.04 -0.22 -0.03 0.00 0.37 0.00 0.00 40.66 40.82 1pqj h LEU 99 CO -0.04 0.78 0.29 0.58 -0.34 0.00 0.00 178.44 179.71 1pqj h VAL 100 N 0.89 1.23 -0.28 1.05 2.07 -0.38 -2.06 116.25 118.76 1pqj h VAL 100 Ca 0.21 -0.68 0.04 0.00 0.82 0.00 0.00 66.70 67.09 1pqj h VAL 100 Cb 0.18 0.46 -0.04 0.00 -1.52 0.00 0.00 31.29 30.37 1pqj h VAL 100 CO -0.02 0.28 0.05 -1.13 0.02 0.00 0.00 177.57 176.77 1pqj h ASN 101 N 0.92 -0.00 -0.08 0.57 -0.73 -0.76 0.55 115.58 116.05 1pqj h ASN 101 Ca 0.22 0.05 0.03 0.00 1.87 0.00 0.00 56.30 58.47 1pqj h ASN 101 Cb 0.16 0.06 -0.03 0.00 0.27 0.00 0.00 38.32 38.78 1pqj h ASN 101 CO -0.02 0.03 -0.10 0.25 -0.37 0.00 0.00 177.43 177.22 1pqj h LEU 102 N 0.15 -0.31 -0.91 0.34 5.85 -0.98 -1.33 115.31 118.11 1pqj h LEU 102 Ca 0.13 0.06 -0.07 0.00 0.84 0.00 0.00 57.88 58.84 1pqj h LEU 102 Cb 0.14 0.15 -0.02 0.00 0.37 0.00 0.00 40.66 41.30 1pqj h LEU 102 CO -0.18 -0.14 0.03 0.40 -0.34 0.00 0.00 178.44 178.21 1pqj h ILE 103 N -0.14 1.24 -0.35 4.05 5.03 -1.03 -0.15 117.51 126.17 1pqj h ILE 103 Ca 0.06 -0.98 0.01 0.00 -0.12 0.00 0.00 64.86 63.84 1pqj h ILE 103 Cb 0.23 0.83 -0.02 0.00 -3.03 0.00 0.00 36.82 34.83 1pqj h ILE 103 CO -0.16 0.35 0.24 0.15 -0.68 0.00 0.00 178.15 178.05 1pqj h PHE 104 N 0.77 0.41 0.00 1.37 3.04 0.61 -0.21 116.94 122.93 1pqj h PHE 104 Ca 0.15 0.01 -0.00 0.00 3.98 0.00 0.00 57.97 62.11 1pqj h PHE 104 Cb 0.43 -0.14 0.00 0.00 2.56 0.00 0.00 35.95 38.80 1pqj h PHE 104 CO 0.02 0.25 -0.00 0.37 -2.02 0.00 0.00 178.31 176.93 1pqj h GLN 105 N 0.44 -0.00 -0.01 1.11 4.15 -0.10 -3.41 115.11 117.29 1pqj h GLN 105 Ca 0.14 0.00 0.00 0.00 0.77 0.00 0.00 58.65 59.56 1pqj h GLN 105 Cb 0.01 0.00 0.00 0.00 0.21 0.00 0.00 27.48 27.71 1pqj h GLN 105 CO -0.03 0.83 -0.47 0.44 -1.93 0.00 0.00 178.83 177.67 1pqj n ILE 106 N -4.64 0.00 -0.50 2.39 -5.35 -0.18 -5.10 119.36 105.98 1pqj n ILE 106 Ca -0.08 -0.26 0.06 0.00 -0.27 0.00 0.00 62.75 62.20 1pqj n ILE 106 Cb 0.40 1.10 -0.03 0.00 -1.74 0.00 0.00 39.64 39.38 1pqj n ILE 106 CO 0.00 0.00 0.00 0.61 -1.76 0.00 0.00 176.55 175.40 1pqj n GLY 107 N 1.21 -2.31 0.33 3.28 0.00 -0.09 -1.37 105.19 106.24 1pqj n GLY 107 Ca 0.05 -1.35 0.00 0.00 0.00 0.00 0.00 46.02 44.72 1pqj n GLY 107 CO 0.00 0.00 0.00 0.83 0.00 0.00 0.00 173.32 174.15 1pqj h GLU 108 N -0.48 1.00 -0.88 1.61 5.08 -1.96 1.74 114.58 120.70 1pqj h GLU 108 Ca -0.04 -0.06 0.03 0.00 -1.00 0.00 0.00 59.36 58.29 1pqj h GLU 108 Cb 0.47 -0.23 -0.05 0.00 0.50 0.00 0.00 28.75 29.44 1pqj h GLU 108 CO 0.02 0.66 0.57 1.79 -1.00 0.00 0.00 179.01 181.05 1pqj h THR 109 N 1.03 1.15 0.36 1.13 1.35 -1.98 0.59 112.91 116.54 1pqj h THR 109 Ca 0.38 -0.38 -0.02 0.00 -0.55 0.00 0.00 66.41 65.84 1pqj h THR 109 Cb 0.13 -0.05 0.00 0.00 -1.73 0.00 0.00 68.15 66.50 1pqj h THR 109 CO -0.16 0.20 -0.17 1.23 -0.25 0.00 0.00 175.52 176.37 1pqj h GLY 110 N 1.11 -0.50 1.79 5.82 0.00 0.78 -2.01 103.07 110.06 1pqj h GLY 110 Ca 0.35 0.19 0.00 0.00 0.00 0.00 0.00 47.33 47.86 1pqj h GLY 110 CO -0.11 -0.18 0.10 -2.08 0.00 0.00 0.00 176.54 174.27 1pqj h VAL 111 N -0.66 0.06 -1.00 4.60 2.07 0.34 -3.05 116.25 118.62 1pqj h VAL 111 Ca -0.05 0.00 0.23 0.00 0.82 0.00 0.00 66.70 67.70 1pqj h VAL 111 Cb 0.47 0.90 -0.10 0.00 -1.52 0.00 0.00 31.29 31.04 1pqj h VAL 111 CO 0.08 0.00 0.63 0.00 0.02 0.00 0.00 177.57 178.30 1pqj h ALA 112 N 1.81 1.98 -0.00 1.67 0.00 0.94 -1.45 119.26 124.20 1pqj h ALA 112 Ca 0.01 0.07 0.00 0.00 0.00 0.00 0.00 54.91 54.99 1pqj h ALA 112 Cb 0.21 -0.02 0.00 0.00 0.00 0.00 0.00 17.79 17.98 1pqj h ALA 112 CO -0.00 -0.37 -0.00 0.41 0.00 0.00 0.00 179.25 179.29 1pqj n GLY 113 N -1.41 -1.22 0.66 0.00 0.00 -1.15 -3.89 105.19 98.19 1pqj n GLY 113 Ca 0.24 -0.16 0.02 0.00 0.00 0.00 0.00 46.02 46.13 1pqj n GLY 113 CO 0.00 0.00 0.00 0.69 0.00 0.00 0.00 173.32 174.01 1pqj n PHE 114 N -1.22 0.42 -0.26 1.61 3.72 -0.55 -4.49 117.46 116.70 1pqj n PHE 114 Ca 0.16 -0.16 -0.00 0.00 -0.05 0.00 0.00 57.45 57.40 1pqj n PHE 114 Cb 0.21 -0.13 0.06 0.00 -0.94 0.00 0.00 39.48 38.69 1pqj n PHE 114 CO 0.00 0.00 0.00 1.15 -0.05 0.00 0.00 176.76 177.86 1pqj h THR 115 N 1.05 0.19 -0.32 4.37 2.02 -1.76 0.38 112.91 118.84 1pqj h THR 115 Ca 0.00 0.00 -0.17 0.00 0.77 0.00 0.00 66.41 67.01 1pqj h THR 115 Cb 0.64 0.19 -0.00 0.00 -1.74 0.00 0.00 68.15 67.23 1pqj h THR 115 CO 0.08 0.00 -0.46 0.78 0.37 0.00 0.00 175.52 176.29 1pqj h ASN 116 N -0.05 0.91 -0.59 4.18 2.35 -1.94 -1.72 115.58 118.72 1pqj h ASN 116 Ca 0.33 -0.45 -0.07 0.00 -0.55 0.00 0.00 56.30 55.57 1pqj h ASN 116 Cb 0.57 -0.26 -0.02 0.00 0.05 0.00 0.00 38.32 38.65 1pqj h ASN 116 CO -0.78 1.22 0.11 0.28 -1.65 0.00 0.00 177.43 176.61 1pqj h SER 117 N 0.66 0.93 -0.86 5.81 0.02 -1.38 -2.37 113.55 116.36 1pqj h SER 117 Ca 0.04 -0.25 -0.00 0.00 -0.84 0.00 0.00 61.79 60.73 1pqj h SER 117 Cb 1.04 -0.25 -0.04 0.00 0.14 0.00 0.00 62.40 63.30 1pqj h SER 117 CO 0.10 0.94 0.53 -0.07 -1.14 0.00 0.00 176.83 177.19 1pqj h LEU 118 N 0.87 1.03 -0.49 5.07 3.38 -0.22 -2.09 115.31 122.86 1pqj h LEU 118 Ca 0.18 -0.05 -0.01 0.00 0.09 0.00 0.00 57.88 58.09 1pqj h LEU 118 Cb 0.40 -0.26 -0.02 0.00 0.09 0.00 0.00 40.66 40.87 1pqj h LEU 118 CO 0.01 0.78 0.26 -0.09 0.09 0.00 0.00 178.44 179.49 1pqj h ARG 119 N 1.19 0.69 -0.81 1.13 2.43 -0.95 0.24 114.38 118.31 1pqj h ARG 119 Ca 0.31 -0.09 0.06 0.00 -0.81 0.00 0.00 59.98 59.45 1pqj h ARG 119 Cb -0.07 -0.13 -0.05 0.00 -0.42 0.00 0.00 29.97 29.30 1pqj h ARG 119 CO -0.06 0.55 0.53 1.88 -1.51 0.00 0.00 179.97 181.36 1pqj h TYR 120 N 0.65 0.91 -0.23 2.20 0.05 -0.91 0.80 116.97 120.44 1pqj h TYR 120 Ca 0.17 0.02 -0.00 0.00 0.05 0.00 0.00 58.73 58.97 1pqj h TYR 120 Cb 0.07 -0.30 -0.01 0.00 1.01 0.00 0.00 36.73 37.49 1pqj h TYR 120 CO -0.02 0.49 0.13 -0.07 -1.05 0.00 0.00 178.16 177.65 1pqj h LEU 121 N 0.91 0.28 -1.29 3.88 3.38 -0.72 -0.62 115.31 121.13 1pqj h LEU 121 Ca 0.34 -0.07 0.08 0.00 0.09 0.00 0.00 57.88 58.32 1pqj h LEU 121 Cb 0.19 -0.07 -0.05 0.00 0.09 0.00 0.00 40.66 40.81 1pqj h LEU 121 CO -0.12 0.27 0.53 -0.61 0.09 0.00 0.00 178.44 178.60 1pqj h GLN 122 N 0.27 0.81 -0.00 1.13 4.15 0.89 0.14 115.11 122.49 1pqj h GLN 122 Ca 0.08 -0.05 0.00 0.00 0.77 0.00 0.00 58.65 59.45 1pqj h GLN 122 Cb 0.05 -0.18 0.00 0.00 0.21 0.00 0.00 27.48 27.55 1pqj h GLN 122 CO -0.01 0.54 0.00 1.04 -1.93 0.00 0.00 178.83 178.46 1pqj n GLN 123 N -4.50 1.07 -2.42 1.69 6.02 0.09 -4.88 117.38 114.45 1pqj n GLN 123 Ca 0.13 -0.10 -0.17 0.00 -0.01 0.00 0.00 57.00 56.85 1pqj n GLN 123 Cb 0.26 -1.47 -0.00 0.00 1.02 0.00 0.00 30.24 30.04 1pqj n GLN 123 CO 0.00 0.00 0.00 1.63 -1.01 0.00 0.00 177.06 177.68 1pqj n LYS 124 N -0.85 -1.81 -3.10 -1.09 5.02 0.48 -4.93 118.16 111.88 1pqj n LYS 124 Ca 0.22 0.80 -0.42 0.00 -2.02 0.00 0.00 58.31 56.90 1pqj n LYS 124 Cb 0.13 -5.25 -0.00 0.00 -0.02 0.00 0.00 35.03 29.89 1pqj n LYS 124 CO 0.00 0.00 0.00 0.54 -0.52 0.00 0.00 177.40 177.42 1pqj n ARG 125 N -2.75 4.16 -0.23 1.97 1.74 -0.32 -4.91 116.66 116.32 1pqj n ARG 125 Ca -0.18 -4.55 -0.07 0.00 -0.77 0.00 0.00 57.85 52.27 1pqj n ARG 125 Cb 0.64 -2.49 -0.02 0.00 -1.02 0.00 0.00 32.46 29.56 1pqj n ARG 125 CO 0.00 0.00 0.00 -1.49 -1.52 0.00 0.00 177.63 174.62 1pqj h TRP 126 N 5.52 -1.22 -0.41 -1.55 -0.00 -1.89 -0.62 115.95 115.78 1pqj h TRP 126 Ca 0.20 0.08 -0.03 0.00 -0.00 0.00 0.00 58.89 59.14 1pqj h TRP 126 Cb 0.66 0.62 -0.02 0.00 -0.00 0.00 0.00 29.16 30.42 1pqj h TRP 126 CO 0.95 -0.41 0.12 -0.44 -0.00 0.00 0.00 178.44 178.66 1pqj h ASP 127 N -0.19 0.60 -0.26 -3.49 5.19 -1.91 -1.06 116.42 115.31 1pqj h ASP 127 Ca 0.20 -0.21 -0.01 0.00 -0.62 0.00 0.00 57.03 56.39 1pqj h ASP 127 Cb 0.56 -0.16 -0.01 0.00 0.18 0.00 0.00 39.33 39.90 1pqj h ASP 127 CO -0.72 0.65 0.13 -0.33 -3.12 0.00 0.00 179.24 175.85 1pqj h GLU 128 N 0.52 0.37 -0.78 3.56 5.08 -1.90 -0.85 114.58 120.57 1pqj h GLU 128 Ca 0.13 -0.05 0.01 0.00 -1.00 0.00 0.00 59.36 58.45 1pqj h GLU 128 Cb 0.27 -0.07 -0.04 0.00 0.50 0.00 0.00 28.75 29.41 1pqj h GLU 128 CO -0.00 0.35 0.52 0.00 -1.00 0.00 0.00 179.01 178.87 1pqj h ALA 129 N 1.00 0.99 -0.46 3.43 0.00 -1.05 0.89 119.26 124.06 1pqj h ALA 129 Ca 0.09 -0.05 0.04 0.00 0.00 0.00 0.00 54.91 54.99 1pqj h ALA 129 Cb 0.10 -0.31 -0.04 0.00 0.00 0.00 0.00 17.79 17.53 1pqj h ALA 129 CO -0.01 0.40 0.21 0.00 0.00 0.00 0.00 179.25 179.85 1pqj h ALA 130 N 1.29 0.57 -0.50 0.00 0.00 -0.64 0.48 119.26 120.46 1pqj h ALA 130 Ca 0.29 0.03 -0.02 0.00 0.00 0.00 0.00 54.91 55.21 1pqj h ALA 130 Cb -0.11 -0.04 -0.02 0.00 0.00 0.00 0.00 17.79 17.61 1pqj h ALA 130 CO -0.07 -0.15 0.24 0.28 0.00 0.00 0.00 179.25 179.55 1pqj h VAL 131 N 0.42 1.19 -0.64 0.00 2.07 -0.62 -3.01 116.25 115.66 1pqj h VAL 131 Ca 0.20 -0.55 -0.04 0.00 0.82 0.00 0.00 66.70 67.14 1pqj h VAL 131 Cb 0.14 0.63 -0.03 0.00 -1.52 0.00 0.00 31.29 30.51 1pqj h VAL 131 CO -0.16 0.22 0.25 -1.13 0.02 0.00 0.00 177.57 176.76 1pqj h ASN 132 N 0.66 0.89 -0.49 0.57 -1.24 0.08 -2.83 115.58 113.21 1pqj h ASN 132 Ca 0.17 -0.18 0.03 0.00 0.71 0.00 0.00 56.30 57.04 1pqj h ASN 132 Cb 0.12 -0.23 -0.03 0.00 0.73 0.00 0.00 38.32 38.91 1pqj h ASN 132 CO -0.02 0.82 0.33 -0.26 -1.29 0.00 0.00 177.43 177.01 1pqj h PHE 133 N 0.90 0.53 0.00 0.67 -1.00 0.04 -2.26 116.94 115.82 1pqj h PHE 133 Ca 0.21 0.01 -0.02 0.00 2.81 0.00 0.00 57.97 60.98 1pqj h PHE 133 Cb 0.22 -0.18 -0.00 0.00 3.61 0.00 0.00 35.95 39.60 1pqj h PHE 133 CO 0.01 0.31 -0.10 0.00 -1.61 0.00 0.00 178.31 176.92 1pqj h ALA 134 N 1.72 1.18 -1.29 2.45 0.00 -1.39 -3.33 119.26 118.59 1pqj h ALA 134 Ca 0.20 -0.09 -0.74 0.00 0.00 0.00 0.00 54.91 54.28 1pqj h ALA 134 Cb 0.12 -0.02 -0.16 0.00 0.00 0.00 0.00 17.79 17.74 1pqj h ALA 134 CO -0.05 0.13 1.72 1.63 0.00 0.00 0.00 179.25 182.68 1pqj n LYS 135 N -3.47 3.43 -3.46 0.00 5.02 -0.85 -4.63 118.16 114.20 1pqj n LYS 135 Ca -0.01 -3.65 -0.13 0.00 -2.02 0.00 0.00 58.31 52.49 1pqj n LYS 135 Cb 0.25 -3.04 -0.03 0.00 -0.02 0.00 0.00 35.03 32.19 1pqj n LYS 135 CO 0.00 0.00 0.00 -1.54 -0.52 0.00 0.00 177.40 175.34 1pqj s SER 136 N 2.24 -0.57 0.17 4.39 1.04 -1.25 -5.01 113.70 114.70 1pqj s SER 136 Ca 0.43 0.20 -0.14 0.00 0.48 0.00 0.00 55.95 56.92 1pqj s SER 136 Cb 0.03 0.56 0.06 0.00 0.10 0.00 0.00 66.02 66.77 1pqj s SER 136 CO 0.01 -0.83 1.79 -0.09 0.98 0.00 0.00 173.24 175.09 1pqj h ARG 137 N 2.27 0.75 -0.68 4.02 2.43 -1.92 -1.92 114.38 119.34 1pqj h ARG 137 Ca -0.31 -0.08 0.13 0.00 -0.81 0.00 0.00 59.98 58.91 1pqj h ARG 137 Cb 1.26 -0.15 -0.13 0.00 -0.42 0.00 0.00 29.97 30.53 1pqj h ARG 137 CO 0.37 0.57 -0.27 2.35 -1.51 0.00 0.00 179.97 181.48 1pqj h TRP 138 N 0.73 -0.71 -0.04 2.20 7.01 -1.95 0.27 115.95 123.46 1pqj h TRP 138 Ca 0.19 0.07 0.00 0.00 2.11 0.00 0.00 58.89 61.26 1pqj h TRP 138 Cb 0.03 0.41 -0.00 0.00 -2.10 0.00 0.00 29.16 27.50 1pqj h TRP 138 CO -0.02 -0.36 0.03 -0.92 -2.79 0.00 0.00 178.44 174.38 1pqj h TYR 139 N -0.08 0.05 -0.77 2.65 3.20 -1.69 -1.93 116.97 118.40 1pqj h TYR 139 Ca 0.29 0.00 0.06 0.00 3.14 0.00 0.00 58.73 62.23 1pqj h TYR 139 Cb 0.55 -0.02 -0.06 0.00 1.54 0.00 0.00 36.73 38.74 1pqj h TYR 139 CO -0.63 0.05 0.45 -0.91 -1.64 0.00 0.00 178.16 175.48 1pqj h ASN 140 N 0.04 0.69 1.14 -2.11 4.21 -0.36 -0.44 115.58 118.76 1pqj h ASN 140 Ca 0.02 0.03 -0.18 0.00 1.21 0.00 0.00 56.30 57.37 1pqj h ASN 140 Cb 0.01 -0.12 -0.03 0.00 -1.12 0.00 0.00 38.32 37.07 1pqj h ASN 140 CO -0.00 0.44 -0.86 1.56 -1.29 0.00 0.00 177.43 177.28 1pqj h GLN 141 N 0.82 0.00 -2.06 0.81 1.08 -0.46 -3.38 115.11 111.92 1pqj h GLN 141 Ca 0.34 0.00 -0.57 0.00 -1.45 0.00 0.00 58.65 56.97 1pqj h GLN 141 Cb 0.20 0.00 -0.40 0.00 -0.05 0.00 0.00 27.48 27.23 1pqj h GLN 141 CO -0.18 0.85 -0.95 0.25 -0.95 0.00 0.00 178.83 177.85 1pqj n THR 142 N -3.31 0.31 -0.04 -0.54 -2.24 -0.73 -4.97 114.28 102.76 1pqj n THR 142 Ca 0.00 -4.42 -0.04 0.00 -2.27 0.00 0.00 64.05 57.33 1pqj n THR 142 Cb 0.88 -1.96 0.18 0.00 -2.10 0.00 0.00 70.33 67.33 1pqj n THR 142 CO 0.00 0.00 0.00 1.55 -0.57 0.00 0.00 175.07 176.05 1pqj h PRO 143 N 4.02 0.61 -0.10 -0.78 0.13 -1.27 -0.68 132.00 133.94 1pqj h PRO 143 Ca 0.11 -0.20 -0.15 0.00 -0.87 0.00 0.00 66.00 64.89 1pqj h PRO 143 Cb 0.81 -0.05 0.01 0.00 0.13 0.00 0.00 31.00 31.89 1pqj h PRO 143 CO 0.58 0.74 -0.54 -0.91 -0.23 0.00 0.00 178.00 177.65 1pqj h ASN 144 N 0.56 0.64 -0.55 1.44 2.35 -1.93 -1.50 115.58 116.58 1pqj h ASN 144 Ca 0.09 -0.65 -0.05 0.00 -0.55 0.00 0.00 56.30 55.14 1pqj h ASN 144 Cb 0.58 -0.19 -0.02 0.00 0.05 0.00 0.00 38.32 38.74 1pqj h ASN 144 CO 0.04 1.19 0.15 -0.09 -1.65 0.00 0.00 177.43 177.06 1pqj h ARG 145 N 0.14 0.88 -0.46 0.81 2.43 -1.95 -2.69 114.38 113.53 1pqj h ARG 145 Ca -0.04 -0.20 0.04 0.00 -0.81 0.00 0.00 59.98 58.97 1pqj h ARG 145 Cb 1.18 -0.12 -0.04 0.00 -0.42 0.00 0.00 29.97 30.57 1pqj h ARG 145 CO 0.11 0.81 0.22 0.00 -1.51 0.00 0.00 179.97 179.60 1pqj h ALA 146 N 1.02 0.57 -0.75 2.80 0.00 -1.12 -1.49 119.26 120.29 1pqj h ALA 146 Ca 0.17 0.03 0.09 0.00 0.00 0.00 0.00 54.91 55.20 1pqj h ALA 146 Cb 0.32 -0.04 -0.07 0.00 0.00 0.00 0.00 17.79 18.00 1pqj h ALA 146 CO -0.00 -0.15 0.40 0.87 0.00 0.00 0.00 179.25 180.38 1pqj h LYS 147 N 0.43 0.67 0.06 0.00 1.57 -1.06 0.47 116.57 118.70 1pqj h LYS 147 Ca 0.20 -0.04 -0.00 0.00 -1.87 0.00 0.00 60.65 58.94 1pqj h LYS 147 Cb 0.13 -0.15 0.00 0.00 0.08 0.00 0.00 32.23 32.29 1pqj h LYS 147 CO -0.16 0.44 -0.03 0.00 -0.57 0.00 0.00 179.45 179.14 1pqj h ARG 148 N 0.69 -0.08 -0.57 3.15 3.08 -0.98 -0.17 114.38 119.49 1pqj h ARG 148 Ca 0.36 0.01 0.11 0.00 0.07 0.00 0.00 59.98 60.52 1pqj h ARG 148 Cb 0.34 0.02 -0.08 0.00 0.08 0.00 0.00 29.97 30.32 1pqj h ARG 148 CO -0.25 0.15 0.10 0.82 -1.07 0.00 0.00 179.97 179.73 1pqj h ILE 149 N -0.30 0.64 -0.90 2.04 1.08 -0.74 0.73 117.51 120.06 1pqj h ILE 149 Ca -0.01 -0.08 0.01 0.00 -0.39 0.00 0.00 64.86 64.39 1pqj h ILE 149 Cb 0.27 0.39 -0.04 0.00 -3.07 0.00 0.00 36.82 34.36 1pqj h ILE 149 CO 0.01 0.04 0.59 0.40 -0.69 0.00 0.00 178.15 178.51 1pqj h ILE 150 N 0.23 1.24 -0.16 -0.67 2.04 0.12 -0.38 117.51 119.93 1pqj h ILE 150 Ca 0.30 -0.44 -0.04 0.00 1.00 0.00 0.00 64.86 65.67 1pqj h ILE 150 Cb 0.44 -0.09 -0.01 0.00 -0.74 0.00 0.00 36.82 36.42 1pqj h ILE 150 CO -0.40 0.23 -0.09 0.71 0.00 0.00 0.00 178.15 178.60 1pqj h THR 151 N 1.23 1.16 -0.24 -0.27 1.35 0.10 0.20 112.91 116.44 1pqj h THR 151 Ca 0.33 -0.69 -0.10 0.00 -0.55 0.00 0.00 66.41 65.40 1pqj h THR 151 Cb -0.13 1.14 -0.00 0.00 -1.73 0.00 0.00 68.15 67.43 1pqj h THR 151 CO -0.07 0.22 -0.23 0.58 -0.25 0.00 0.00 175.52 175.77 1pqj h VAL 152 N 0.24 1.31 -0.88 6.82 2.07 -0.59 0.24 116.25 125.46 1pqj h VAL 152 Ca 0.05 -1.39 -0.02 0.00 0.82 0.00 0.00 66.70 66.16 1pqj h VAL 152 Cb 0.32 1.66 -0.04 0.00 -1.52 0.00 0.00 31.29 31.71 1pqj h VAL 152 CO 0.02 0.43 0.48 -0.26 0.02 0.00 0.00 177.57 178.26 1pqj h PHE 153 N 0.29 1.21 -0.10 1.57 0.05 -0.13 0.32 116.94 120.16 1pqj h PHE 153 Ca 0.04 -0.03 -0.04 0.00 3.82 0.00 0.00 57.97 61.76 1pqj h PHE 153 Cb 0.78 -0.39 -0.00 0.00 2.00 0.00 0.00 35.95 38.34 1pqj h PHE 153 CO 0.07 0.84 -0.10 -0.09 -0.18 0.00 0.00 178.31 178.86 1pqj h ARG 154 N 1.24 0.24 0.00 1.51 2.43 -0.50 -3.38 114.38 115.91 1pqj h ARG 154 Ca 0.31 -0.13 -0.19 0.00 -0.81 0.00 0.00 59.98 59.16 1pqj h ARG 154 Cb 0.04 0.01 -0.04 0.00 -0.42 0.00 0.00 29.97 29.56 1pqj h ARG 154 CO -0.05 0.66 -1.98 0.25 -1.51 0.00 0.00 179.97 177.34 1pqj n THR 155 N -4.65 0.88 -1.01 0.20 -2.24 0.85 -4.76 114.28 103.54 1pqj n THR 155 Ca -0.07 -0.69 -0.00 0.00 -2.27 0.00 0.00 64.05 61.01 1pqj n THR 155 Cb 0.33 -0.39 -0.00 0.00 -2.10 0.00 0.00 70.33 68.17 1pqj n THR 155 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 1pqj n GLY 156 N 1.49 0.47 3.42 3.38 0.00 0.11 -5.02 105.19 109.05 1pqj n GLY 156 Ca -0.17 -0.21 -0.21 0.00 0.00 0.00 0.00 46.02 45.42 1pqj n GLY 156 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 1pqj s THR 157 N -1.95 1.85 -1.27 2.61 -4.23 -1.26 -4.80 115.64 106.59 1pqj s THR 157 Ca 0.00 -2.20 0.15 0.00 -1.18 0.00 0.00 61.69 58.46 1pqj s THR 157 Cb 0.00 -2.33 0.57 0.00 1.34 0.00 0.00 72.50 72.08 1pqj s THR 157 CO 0.00 -0.39 1.45 0.79 -0.54 0.00 0.00 174.62 175.93 1pqj n TRP 158 N -0.55 1.17 -0.29 3.99 7.02 -1.26 -4.50 117.44 123.02 1pqj n TRP 158 Ca -0.06 -0.47 0.09 0.00 -1.02 0.00 0.00 57.50 56.04 1pqj n TRP 158 Cb 0.62 -0.20 0.23 0.00 -2.42 0.00 0.00 31.31 29.54 1pqj n TRP 158 CO 0.00 0.00 0.00 -0.44 -2.02 0.00 0.00 177.69 175.23 1pqj h ASP 159 N 3.28 -0.27 -0.17 -0.99 3.45 -1.96 0.18 116.42 119.93 1pqj h ASP 159 Ca 0.00 0.21 0.05 0.00 0.43 0.00 0.00 57.03 57.72 1pqj h ASP 159 Cb 1.18 0.35 -0.01 0.00 -0.56 0.00 0.00 39.33 40.30 1pqj h ASP 159 CO 0.18 -0.21 0.15 0.00 -1.57 0.00 0.00 179.24 177.79 1pqj h ALA 160 N 1.79 1.95 -0.02 3.45 0.00 -1.92 0.16 119.26 124.67 1pqj h ALA 160 Ca 0.49 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 55.40 1pqj h ALA 160 Cb 0.95 0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.75 1pqj h ALA 160 CO -0.72 -0.24 -0.16 0.66 0.00 0.00 0.00 179.25 178.79 1pqj n TYR 161 N -4.11 0.00 -2.44 0.00 4.01 0.02 -4.90 117.16 109.74 1pqj n TYR 161 Ca 0.01 0.00 -0.41 0.00 -0.16 0.00 0.00 57.90 57.34 1pqj n TYR 161 Cb 0.28 -0.02 -0.03 0.00 -0.31 0.00 0.00 39.34 39.26 1pqj n TYR 161 CO 0.00 0.00 0.00 0.15 -0.46 0.00 0.00 176.86 176.55 1pqj s LYS 162 N -2.20 4.50 0.00 -0.72 1.02 0.57 -3.15 119.74 119.76 1pqj s LYS 162 Ca 0.27 1.78 0.00 0.00 0.02 0.00 0.00 55.97 58.04 1pqj s LYS 162 Cb 0.20 -3.30 0.00 0.00 -0.52 0.00 0.00 37.83 34.21 1pqj s LYS 162 CO 0.41 -0.10 0.00 0.09 -0.92 0.00 0.00 175.35 174.83 1pqj n ASN 163 N 3.04 -1.57 -0.07 2.83 3.02 -1.26 -5.04 115.26 116.20 1pqj n ASN 163 Ca 0.06 0.00 0.01 0.00 -0.03 0.00 0.00 54.58 54.62 1pqj n ASN 163 Cb 0.46 -0.48 0.01 0.00 -0.61 0.00 0.00 39.78 39.15 1pqj n ASN 163 CO 0.00 0.00 0.00 0.18 -2.62 0.00 0.00 177.26 174.82