#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1pqi s ASN 2 N 0.00 -0.09 0.30 6.12 2.20 -1.26 -5.02 114.94 117.19 1pqi s ASN 2 Ca 0.00 -0.95 0.05 0.00 -0.94 0.00 0.00 52.86 51.02 1pqi s ASN 2 Cb 0.00 0.80 0.68 0.00 -2.00 0.00 0.00 41.25 40.74 1pqi s ASN 2 CO 0.00 -1.56 1.80 -0.29 -2.94 0.00 0.00 177.10 174.11 1pqi h ILE 3 N 2.00 0.77 -0.15 0.54 6.09 -1.97 -0.47 117.51 124.33 1pqi h ILE 3 Ca -0.27 -0.29 -0.06 0.00 -1.37 0.00 0.00 64.86 62.88 1pqi h ILE 3 Cb 1.25 -0.14 -0.00 0.00 0.47 0.00 0.00 36.82 38.40 1pqi h ILE 3 CO 0.34 0.15 -0.12 -0.26 -3.07 0.00 0.00 178.15 175.19 1pqi h PHE 4 N 0.84 0.41 -0.56 2.19 -1.00 -1.98 -0.18 116.94 116.66 1pqi h PHE 4 Ca 0.55 -0.12 -0.05 0.00 2.81 0.00 0.00 57.97 61.17 1pqi h PHE 4 Cb 0.77 -0.09 -0.03 0.00 3.61 0.00 0.00 35.95 40.22 1pqi h PHE 4 CO -0.00 0.72 0.14 0.93 -1.61 0.00 0.00 178.31 178.49 1pqi h GLU 5 N -0.01 0.86 0.29 1.51 5.08 -1.83 0.38 114.58 120.87 1pqi h GLU 5 Ca 0.03 -0.18 -0.01 0.00 -1.00 0.00 0.00 59.36 58.20 1pqi h GLU 5 Cb 0.63 -0.13 0.00 0.00 0.50 0.00 0.00 28.75 29.76 1pqi h GLU 5 CO 0.03 0.77 -0.14 1.98 -1.00 0.00 0.00 179.01 180.65 1pqi h MET 6 N 0.83 -0.37 -0.16 2.33 4.05 -1.04 -1.30 114.93 119.26 1pqi h MET 6 Ca 0.18 0.03 -0.10 0.00 -0.28 0.00 0.00 59.70 59.53 1pqi h MET 6 Cb 0.29 0.08 -0.01 0.00 -0.80 0.00 0.00 31.60 31.16 1pqi h MET 6 CO -0.00 -0.16 -0.32 -0.07 0.23 0.00 0.00 176.91 176.59 1pqi h LEU 7 N -0.52 0.33 -1.23 3.39 3.38 -0.87 -1.60 115.31 118.20 1pqi h LEU 7 Ca -0.04 -0.12 -0.03 0.00 0.09 0.00 0.00 57.88 57.78 1pqi h LEU 7 Cb 0.38 -0.09 -0.02 0.00 0.09 0.00 0.00 40.66 41.02 1pqi h LEU 7 CO 0.06 0.64 0.15 -0.09 0.09 0.00 0.00 178.44 179.30 1pqi h ARG 8 N 0.29 0.69 -0.08 1.13 9.65 -0.00 0.64 114.38 126.69 1pqi h ARG 8 Ca 0.04 -0.11 -0.02 0.00 -1.10 0.00 0.00 59.98 58.79 1pqi h ARG 8 Cb 0.71 -0.12 -0.00 0.00 -1.39 0.00 0.00 29.97 29.17 1pqi h ARG 8 CO 0.05 0.60 -0.02 0.82 2.80 0.00 0.00 179.97 184.22 1pqi h ILE 9 N 0.68 1.30 -0.08 1.20 2.04 -0.70 -1.00 117.51 120.94 1pqi h ILE 9 Ca 0.16 -0.95 -0.10 0.00 1.00 0.00 0.00 64.86 64.97 1pqi h ILE 9 Cb 0.19 1.77 -0.01 0.00 -0.74 0.00 0.00 36.82 38.03 1pqi h ILE 9 CO -0.01 0.26 -0.40 0.44 0.00 0.00 0.00 178.15 178.44 1pqi h ASP 10 N -0.19 0.18 0.00 1.72 3.32 -1.04 -3.33 116.42 117.09 1pqi h ASP 10 Ca 0.02 -0.07 -0.10 0.00 0.02 0.00 0.00 57.03 56.90 1pqi h ASP 10 Cb 0.43 -0.05 -0.02 0.00 0.22 0.00 0.00 39.33 39.91 1pqi h ASP 10 CO 0.01 0.57 -1.95 -0.62 -1.72 0.00 0.00 179.24 175.54 1pqi n GLU 11 N -4.04 0.75 0.00 3.56 -0.58 0.19 -5.09 120.64 115.45 1pqi n GLU 11 Ca -0.02 -0.12 0.00 0.00 -0.42 0.00 0.00 57.16 56.60 1pqi n GLU 11 Cb 0.46 -1.44 0.00 0.00 -0.57 0.00 0.00 31.44 29.89 1pqi n GLU 11 CO 0.00 0.00 0.00 0.41 -0.48 0.00 0.00 177.13 177.06 1pqi n GLY 12 N 1.60 -1.66 3.02 0.62 0.00 -0.38 -4.41 105.19 103.98 1pqi n GLY 12 Ca -0.11 -1.30 -0.13 0.00 0.00 0.00 0.00 46.02 44.48 1pqi n GLY 12 CO 0.00 0.00 0.00 -2.27 0.00 0.00 0.00 173.32 171.05 1pqi s LEU 13 N 0.00 -0.34 -0.06 0.99 2.96 -1.26 -4.25 118.68 116.72 1pqi s LEU 13 Ca 0.00 0.60 0.00 0.00 -0.22 0.00 0.00 54.13 54.52 1pqi s LEU 13 Cb 0.00 0.77 0.02 0.00 0.50 0.00 0.00 46.19 47.49 1pqi s LEU 13 CO 0.00 -0.24 -0.04 -0.13 -1.32 0.00 0.00 176.35 174.62 1pqi s ARG 14 N 2.44 0.89 0.00 1.98 0.52 -0.53 -5.01 118.95 119.25 1pqi s ARG 14 Ca 0.01 -0.08 0.28 0.00 -0.52 0.00 0.00 55.73 55.42 1pqi s ARG 14 Cb -0.12 -0.99 1.00 0.00 0.52 0.00 0.00 34.95 35.36 1pqi s ARG 14 CO -0.09 -0.15 1.72 1.28 0.02 0.00 0.00 175.30 178.08 1pqi n LEU 15 N 4.43 0.57 -4.37 2.53 4.77 -1.26 0.46 117.00 124.12 1pqi n LEU 15 Ca -0.19 -0.01 -0.26 0.00 -0.03 0.00 0.00 56.01 55.52 1pqi n LEU 15 Cb 0.51 -0.21 -0.12 0.00 -2.33 0.00 0.00 43.42 41.27 1pqi n LEU 15 CO 0.19 0.11 -0.53 -0.75 -1.33 0.00 0.00 177.39 175.09 1pqi s LYS 16 N -2.62 1.37 0.24 3.23 2.47 -1.26 -1.31 119.74 121.86 1pqi s LYS 16 Ca 0.23 -1.39 -0.31 0.00 -1.56 0.00 0.00 55.97 52.94 1pqi s LYS 16 Cb 0.19 -1.67 -0.14 0.00 -1.46 0.00 0.00 37.83 34.76 1pqi s LYS 16 CO 0.53 0.37 1.34 -0.89 0.16 0.00 0.00 175.35 176.86 1pqi n ILE 17 N 0.57 1.09 -4.23 5.43 5.41 -0.77 -4.73 119.36 122.13 1pqi n ILE 17 Ca -0.15 -0.27 -0.17 0.00 1.00 0.00 0.00 62.75 63.15 1pqi n ILE 17 Cb 0.55 -1.37 -0.08 0.00 -0.71 0.00 0.00 39.64 38.04 1pqi n ILE 17 CO 0.00 0.00 0.00 -0.72 0.00 0.00 0.00 176.55 175.83 1pqi s TYR 18 N -0.22 1.54 -0.09 1.39 -0.85 0.05 -4.98 117.35 114.19 1pqi s TYR 18 Ca 0.67 -1.55 -0.00 0.00 -0.52 0.00 0.00 57.07 55.67 1pqi s TYR 18 Cb -0.67 -0.57 -0.03 0.00 0.38 0.00 0.00 41.96 41.06 1pqi s TYR 18 CO 0.52 -0.89 -0.06 0.15 -1.52 0.00 0.00 175.55 173.75 1pqi s LYS 19 N -3.48 2.97 0.00 -3.49 1.02 -1.26 -0.45 119.74 115.05 1pqi s LYS 19 Ca 0.39 -0.53 0.00 0.00 0.02 0.00 0.00 55.97 55.84 1pqi s LYS 19 Cb 0.02 -2.67 0.00 0.00 -0.52 0.00 0.00 37.83 34.66 1pqi s LYS 19 CO 0.24 0.57 0.00 -0.40 -0.92 0.00 0.00 175.35 174.84 1pqi n ASP 20 N 2.51 -0.31 0.30 2.83 3.85 0.10 -4.77 116.55 121.06 1pqi n ASP 20 Ca -0.18 -0.82 0.17 0.00 -0.71 0.00 0.00 54.79 53.25 1pqi n ASP 20 Cb 0.53 0.00 0.91 0.00 -1.35 0.00 0.00 41.12 41.21 1pqi n ASP 20 CO 0.00 0.00 0.00 0.71 -1.01 0.00 0.00 177.20 176.90 1pqi h THR 21 N -1.13 0.34 -0.02 2.12 1.35 -2.00 -0.69 112.91 112.88 1pqi h THR 21 Ca 0.00 -0.24 0.00 0.00 -0.55 0.00 0.00 66.41 65.62 1pqi h THR 21 Cb 0.00 1.17 0.00 0.00 -1.73 0.00 0.00 68.15 67.59 1pqi h THR 21 CO 0.00 0.04 -0.00 -0.62 -0.25 0.00 0.00 175.52 174.69 1pqi n GLU 22 N -3.48 1.80 -0.36 4.72 -0.58 -1.26 -4.94 120.64 116.54 1pqi n GLU 22 Ca -0.02 -1.17 0.00 0.00 -0.42 0.00 0.00 57.16 55.55 1pqi n GLU 22 Cb 0.16 -1.48 0.00 0.00 -0.57 0.00 0.00 31.44 29.55 1pqi n GLU 22 CO 0.00 0.00 0.00 0.41 -0.48 0.00 0.00 177.13 177.06 1pqi n GLY 23 N 1.21 0.72 3.83 0.62 0.00 -0.27 -5.05 105.19 106.25 1pqi n GLY 23 Ca 0.18 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 45.83 1pqi n GLY 23 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 1pqi s TYR 24 N -2.52 3.72 0.20 1.61 4.12 -1.26 -4.65 117.35 118.57 1pqi s TYR 24 Ca 0.00 1.17 -0.32 0.00 0.02 0.00 0.00 57.07 57.94 1pqi s TYR 24 Cb 0.00 -2.43 -0.11 0.00 -1.52 0.00 0.00 41.96 37.90 1pqi s TYR 24 CO 0.00 0.52 1.65 0.71 0.02 0.00 0.00 175.55 178.45 1pqi s TYR 25 N -1.26 2.95 0.14 2.71 1.51 -1.21 0.01 117.35 122.21 1pqi s TYR 25 Ca 0.32 0.51 -0.07 0.00 -1.01 0.00 0.00 57.07 56.82 1pqi s TYR 25 Cb -0.17 -4.05 -0.02 0.00 -0.11 0.00 0.00 41.96 37.61 1pqi s TYR 25 CO 0.19 -3.88 0.21 0.99 -1.11 0.00 0.00 175.55 171.94 1pqi s THR 26 N 1.00 0.09 0.19 -0.71 2.01 0.40 -0.47 115.64 118.15 1pqi s THR 26 Ca 0.71 -1.49 -0.14 0.00 0.31 0.00 0.00 61.69 61.09 1pqi s THR 26 Cb -0.47 -1.80 0.01 0.00 0.01 0.00 0.00 72.50 70.25 1pqi s THR 26 CO 0.34 -0.42 0.43 -0.51 -0.69 0.00 0.00 174.62 173.77 1pqi s ILE 27 N -3.97 0.04 0.00 1.82 2.07 -0.49 -0.77 121.20 119.90 1pqi s ILE 27 Ca 0.16 -1.06 0.00 0.00 -1.41 0.00 0.00 60.65 58.35 1pqi s ILE 27 Cb 0.05 -1.72 0.00 0.00 0.13 0.00 0.00 42.46 40.92 1pqi s ILE 27 CO -0.02 -0.19 0.00 0.61 -1.91 0.00 0.00 174.94 173.44 1pqi n GLY 28 N -0.29 3.08 3.10 1.50 0.00 0.17 -0.84 105.19 111.92 1pqi n GLY 28 Ca -0.08 -0.18 -0.42 0.00 0.00 0.00 0.00 46.02 45.33 1pqi n GLY 28 CO 0.00 0.00 0.00 1.39 0.00 0.00 0.00 173.32 174.71 1pqi n ILE 29 N 0.00 4.69 -2.43 -0.61 5.41 -1.26 -1.45 119.36 123.70 1pqi n ILE 29 Ca 0.00 -5.63 -0.17 0.00 1.00 0.00 0.00 62.75 57.95 1pqi n ILE 29 Cb 0.00 -2.29 -0.00 0.00 -0.71 0.00 0.00 39.64 36.64 1pqi n ILE 29 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 176.55 177.16 1pqi n GLY 30 N 1.86 -0.33 3.48 7.39 0.00 -1.24 -4.89 105.19 111.47 1pqi n GLY 30 Ca 0.25 -0.14 -0.43 0.00 0.00 0.00 0.00 46.02 45.70 1pqi n GLY 30 CO 0.00 0.00 0.00 -1.58 0.00 0.00 0.00 173.32 171.74 1pqi s HIS 31 N -2.90 2.96 0.12 1.61 5.04 -0.02 -4.93 115.29 117.18 1pqi s HIS 31 Ca 0.05 -0.27 -0.31 0.00 -1.54 0.00 0.00 55.06 52.99 1pqi s HIS 31 Cb -0.02 -3.71 -0.09 0.00 0.04 0.00 0.00 32.58 28.80 1pqi s HIS 31 CO 0.06 -1.12 1.51 -1.17 -2.34 0.00 0.00 174.74 171.68 1pqi s LEU 32 N 3.14 4.37 -0.20 8.88 2.96 -1.26 -1.40 118.68 135.16 1pqi s LEU 32 Ca 0.22 2.47 -0.06 0.00 -0.22 0.00 0.00 54.13 56.54 1pqi s LEU 32 Cb -0.16 -3.58 -0.20 0.00 0.50 0.00 0.00 46.19 42.75 1pqi s LEU 32 CO 0.16 -0.77 0.02 0.18 -1.32 0.00 0.00 176.35 174.62 1pqi n LEU 33 N 4.31 2.59 -3.60 -0.68 4.77 0.38 -4.96 117.00 119.81 1pqi n LEU 33 Ca 0.13 0.12 -0.05 0.00 -0.03 0.00 0.00 56.01 56.18 1pqi n LEU 33 Cb 0.40 -0.98 -0.03 0.00 -2.33 0.00 0.00 43.42 40.48 1pqi n LEU 33 CO 0.61 0.79 1.00 0.28 -1.33 0.00 0.00 177.39 178.73 1pqi s THR 34 N -2.51 0.00 -2.34 -5.08 -1.32 -1.17 -4.90 115.64 98.32 1pqi s THR 34 Ca -0.30 0.00 0.27 0.00 -1.21 0.00 0.00 61.69 60.45 1pqi s THR 34 Cb 0.09 -1.00 0.45 0.00 -1.51 0.00 0.00 72.50 70.53 1pqi s THR 34 CO 0.65 0.00 1.67 0.29 -2.21 0.00 0.00 174.62 175.01 1pqi n LYS 35 N 0.15 1.49 -2.27 7.08 5.02 -1.26 -3.29 118.16 125.08 1pqi n LYS 35 Ca -0.01 -0.90 -0.39 0.00 -2.02 0.00 0.00 58.31 54.99 1pqi n LYS 35 Cb 0.58 -1.48 -0.02 0.00 -0.02 0.00 0.00 35.03 34.09 1pqi n LYS 35 CO 0.00 0.00 0.00 0.45 -0.52 0.00 0.00 177.40 177.33 1pqi s SER 36 N -2.13 6.55 0.46 4.39 0.15 -1.26 -4.90 113.70 116.96 1pqi s SER 36 Ca 0.34 2.38 0.31 0.00 0.70 0.00 0.00 55.95 59.68 1pqi s SER 36 Cb 0.20 -2.62 1.31 0.00 -1.71 0.00 0.00 66.02 63.21 1pqi s SER 36 CO 0.38 -0.66 1.91 1.55 1.20 0.00 0.00 173.24 177.62 1pqi h PRO 37 N 2.73 0.00 -6.35 5.44 0.13 -1.96 -3.43 132.00 128.56 1pqi h PRO 37 Ca -0.49 0.00 -0.57 0.00 -0.87 0.00 0.00 66.00 64.07 1pqi h PRO 37 Cb 1.23 0.00 -0.06 0.00 0.13 0.00 0.00 31.00 32.31 1pqi h PRO 37 CO 0.63 0.00 0.89 0.45 -0.23 0.00 0.00 178.00 179.74 1pqi s SER 38 N -5.13 6.83 0.38 1.44 0.15 -1.26 -4.91 113.70 111.20 1pqi s SER 38 Ca 0.02 1.08 0.07 0.00 0.70 0.00 0.00 55.95 57.81 1pqi s SER 38 Cb 0.09 -2.54 0.76 0.00 -1.71 0.00 0.00 66.02 62.62 1pqi s SER 38 CO 0.47 -0.97 1.96 0.25 1.20 0.00 0.00 173.24 176.16 1pqi h LEU 39 N 10.40 0.40 -0.46 3.45 5.85 -2.00 -0.93 115.31 132.03 1pqi h LEU 39 Ca -0.23 -0.05 -0.07 0.00 0.84 0.00 0.00 57.88 58.38 1pqi h LEU 39 Cb 1.07 -0.10 -0.02 0.00 0.37 0.00 0.00 40.66 41.98 1pqi h LEU 39 CO 1.04 0.42 0.02 0.78 -0.34 0.00 0.00 178.44 180.36 1pqi h ASN 40 N 0.43 0.77 -0.36 1.25 4.21 -1.97 0.11 115.58 120.02 1pqi h ASN 40 Ca 0.10 -0.29 0.01 0.00 1.21 0.00 0.00 56.30 57.33 1pqi h ASN 40 Cb 0.19 -0.21 -0.02 0.00 -1.12 0.00 0.00 38.32 37.17 1pqi h ASN 40 CO -0.00 0.87 0.22 0.00 -1.29 0.00 0.00 177.43 177.23 1pqi h ALA 41 N 0.92 0.46 -1.00 -0.83 0.00 -1.73 -0.36 119.26 116.72 1pqi h ALA 41 Ca 0.13 -0.01 0.04 0.00 0.00 0.00 0.00 54.91 55.07 1pqi h ALA 41 Cb 0.46 -0.12 -0.06 0.00 0.00 0.00 0.00 17.79 18.08 1pqi h ALA 41 CO 0.02 -0.11 0.65 0.00 0.00 0.00 0.00 179.25 179.81 1pqi h ALA 42 N 1.15 1.33 -0.23 0.00 0.00 -0.74 -1.50 119.26 119.26 1pqi h ALA 42 Ca 0.14 -0.05 -0.09 0.00 0.00 0.00 0.00 54.91 54.91 1pqi h ALA 42 Cb -0.02 -0.35 -0.01 0.00 0.00 0.00 0.00 17.79 17.40 1pqi h ALA 42 CO -0.05 0.55 -0.25 0.87 0.00 0.00 0.00 179.25 180.36 1pqi h LYS 43 N 1.26 0.44 -0.70 0.00 6.56 -0.14 -0.83 116.57 123.16 1pqi h LYS 43 Ca 0.40 -0.16 -0.05 0.00 -1.06 0.00 0.00 60.65 59.77 1pqi h LYS 43 Cb 0.01 -0.03 -0.03 0.00 -0.57 0.00 0.00 32.23 31.61 1pqi h LYS 43 CO -0.13 0.67 0.23 1.03 -2.06 0.00 0.00 179.45 179.19 1pqi h SER 44 N 0.39 1.00 -0.59 0.86 0.87 -0.24 -1.37 113.55 114.48 1pqi h SER 44 Ca 0.06 -0.20 -0.00 0.00 -1.23 0.00 0.00 61.79 60.41 1pqi h SER 44 Cb 0.65 -0.26 -0.03 0.00 -0.44 0.00 0.00 62.40 62.32 1pqi h SER 44 CO 0.05 0.93 0.35 -0.33 -0.53 0.00 0.00 176.83 177.31 1pqi h GLU 45 N 1.01 0.80 -0.16 2.24 4.39 -0.98 -1.47 114.58 120.42 1pqi h GLU 45 Ca 0.23 -0.07 0.02 0.00 0.34 0.00 0.00 59.36 59.87 1pqi h GLU 45 Cb 0.28 -0.17 -0.02 0.00 -0.10 0.00 0.00 28.75 28.74 1pqi h GLU 45 CO -0.01 0.58 0.04 1.25 -1.16 0.00 0.00 179.01 179.71 1pqi h LEU 46 N 0.80 0.03 -0.83 1.33 5.85 -0.66 0.25 115.31 122.07 1pqi h LEU 46 Ca 0.21 0.02 0.01 0.00 0.84 0.00 0.00 57.88 58.96 1pqi h LEU 46 Cb -0.02 0.02 -0.04 0.00 0.37 0.00 0.00 40.66 40.99 1pqi h LEU 46 CO -0.04 0.04 0.55 0.44 -0.34 0.00 0.00 178.44 179.09 1pqi h ASP 47 N 0.11 0.95 -0.65 1.25 3.32 -1.11 -0.60 116.42 119.69 1pqi h ASP 47 Ca 0.07 -0.02 -0.07 0.00 0.02 0.00 0.00 57.03 57.02 1pqi h ASP 47 Cb 0.05 -0.23 -0.03 0.00 0.22 0.00 0.00 39.33 39.34 1pqi h ASP 47 CO -0.08 0.68 0.12 0.50 -1.72 0.00 0.00 179.24 178.74 1pqi h LYS 48 N 1.12 1.08 -0.56 3.56 3.64 -0.64 0.42 116.57 125.19 1pqi h LYS 48 Ca 0.31 -0.28 -0.03 0.00 -1.27 0.00 0.00 60.65 59.38 1pqi h LYS 48 Cb -0.12 -0.13 -0.02 0.00 -0.41 0.00 0.00 32.23 31.54 1pqi h LYS 48 CO -0.07 0.98 0.23 0.00 -2.27 0.00 0.00 179.45 178.32 1pqi h ALA 49 N 1.10 0.73 0.00 5.00 0.00 0.22 -3.24 119.26 123.07 1pqi h ALA 49 Ca 0.21 -0.16 -0.23 0.00 0.00 0.00 0.00 54.91 54.73 1pqi h ALA 49 Cb 0.41 -0.22 -0.04 0.00 0.00 0.00 0.00 17.79 17.95 1pqi h ALA 49 CO 0.01 0.34 -1.33 0.82 0.00 0.00 0.00 179.25 179.09 1pqi h ILE 50 N 0.77 1.07 0.00 0.00 1.08 -1.03 -3.49 117.51 115.91 1pqi h ILE 50 Ca 0.19 -2.78 0.00 0.00 -0.39 0.00 0.00 64.86 61.88 1pqi h ILE 50 Cb 0.20 2.49 0.00 0.00 -3.07 0.00 0.00 36.82 36.44 1pqi h ILE 50 CO -0.02 0.61 0.00 0.61 -0.69 0.00 0.00 178.15 178.66 1pqi n GLY 51 N 1.44 0.79 3.68 5.37 0.00 0.14 -5.06 105.19 111.54 1pqi n GLY 51 Ca -0.09 -0.48 -0.08 0.00 0.00 0.00 0.00 46.02 45.37 1pqi n GLY 51 CO 0.00 0.00 0.00 1.09 0.00 0.00 0.00 173.32 174.41 1pqi s ARG 52 N -1.07 1.61 -0.71 1.61 1.70 -0.96 -5.04 118.95 116.09 1pqi s ARG 52 Ca 0.00 -1.05 -0.23 0.00 -0.47 0.00 0.00 55.73 53.98 1pqi s ARG 52 Cb 0.00 0.54 0.07 0.00 -0.57 0.00 0.00 34.95 34.99 1pqi s ARG 52 CO 0.00 -0.70 1.06 1.21 -1.08 0.00 0.00 175.30 175.79 1pqi s ASN 53 N -2.94 6.22 0.03 -2.89 3.84 -1.26 -4.35 114.94 113.59 1pqi s ASN 53 Ca 0.15 -0.99 0.22 0.00 0.21 0.00 0.00 52.86 52.45 1pqi s ASN 53 Cb -0.03 -2.45 -0.22 0.00 -0.55 0.00 0.00 41.25 38.00 1pqi s ASN 53 CO 0.05 -1.50 0.69 0.35 -2.79 0.00 0.00 177.10 173.91 1pqi n THR 54 N 6.02 0.14 -3.50 -5.21 -2.24 -1.26 -5.01 114.28 103.22 1pqi n THR 54 Ca 0.02 -0.43 -0.23 0.00 -2.27 0.00 0.00 64.05 61.13 1pqi n THR 54 Cb 0.47 0.05 0.07 0.00 -2.10 0.00 0.00 70.33 68.82 1pqi n THR 54 CO 0.00 0.00 0.00 -3.20 -0.57 0.00 0.00 175.07 171.30 1pqi n ASN 55 N -2.24 -6.29 -0.27 3.42 5.15 -1.26 -3.46 115.26 110.31 1pqi n ASN 55 Ca -0.02 -0.50 -0.04 0.00 -0.60 0.00 0.00 54.58 53.43 1pqi n ASN 55 Cb 0.53 -4.94 -0.02 0.00 -0.53 0.00 0.00 39.78 34.82 1pqi n ASN 55 CO 0.00 0.00 0.00 0.61 1.40 0.00 0.00 177.26 179.27 1pqi n GLY 56 N -1.93 0.52 3.00 8.20 0.00 -1.26 -5.02 105.19 108.70 1pqi n GLY 56 Ca -0.01 -0.11 -0.18 0.00 0.00 0.00 0.00 46.02 45.72 1pqi n GLY 56 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1pqi s VAL 57 N -1.68 0.66 0.23 1.61 1.01 -1.22 -1.84 120.40 119.16 1pqi s VAL 57 Ca 0.00 -0.34 0.05 0.00 0.00 0.00 0.00 61.98 61.69 1pqi s VAL 57 Cb 0.00 -0.56 -0.05 0.00 0.00 0.00 0.00 36.38 35.77 1pqi s VAL 57 CO 0.00 0.19 -0.05 0.27 0.00 0.00 0.00 175.10 175.52 1pqi s ILE 58 N -0.08 1.30 0.65 2.22 -4.36 -0.43 -4.85 121.20 115.66 1pqi s ILE 58 Ca 0.02 -2.08 -0.07 0.00 -0.26 0.00 0.00 60.65 58.26 1pqi s ILE 58 Cb -0.04 -2.29 0.03 0.00 1.25 0.00 0.00 42.46 41.41 1pqi s ILE 58 CO -0.00 -0.40 0.97 0.42 0.24 0.00 0.00 174.94 176.17 1pqi s THR 59 N -3.24 3.06 0.21 8.37 -4.23 -1.26 -4.77 115.64 113.77 1pqi s THR 59 Ca 0.27 -0.06 -0.06 0.00 -1.18 0.00 0.00 61.69 60.65 1pqi s THR 59 Cb 0.04 -3.27 0.08 0.00 1.34 0.00 0.00 72.50 70.69 1pqi s THR 59 CO 0.08 -0.29 1.68 0.50 -0.54 0.00 0.00 174.62 176.05 1pqi h LYS 60 N -0.41 0.96 -0.57 3.99 3.64 -1.98 -0.31 116.57 121.88 1pqi h LYS 60 Ca -0.45 -0.30 0.00 0.00 -1.27 0.00 0.00 60.65 58.63 1pqi h LYS 60 Cb 1.28 -0.09 -0.03 0.00 -0.41 0.00 0.00 32.23 32.98 1pqi h LYS 60 CO 0.61 0.96 0.37 -0.44 -2.27 0.00 0.00 179.45 178.68 1pqi h ASP 61 N 0.88 0.66 -0.49 4.20 5.19 -1.99 0.12 116.42 124.99 1pqi h ASP 61 Ca 0.16 -0.03 -0.00 0.00 -0.62 0.00 0.00 57.03 56.53 1pqi h ASP 61 Cb 0.55 -0.17 -0.02 0.00 0.18 0.00 0.00 39.33 39.87 1pqi h ASP 61 CO 0.03 0.49 0.29 -0.33 -3.12 0.00 0.00 179.24 176.60 1pqi h GLU 62 N 0.77 0.67 -0.53 3.56 5.08 -1.80 -0.46 114.58 121.88 1pqi h GLU 62 Ca 0.21 -0.07 0.03 0.00 -1.00 0.00 0.00 59.36 58.53 1pqi h GLU 62 Cb -0.07 -0.14 -0.04 0.00 0.50 0.00 0.00 28.75 29.01 1pqi h GLU 62 CO -0.04 0.50 0.31 0.00 -1.00 0.00 0.00 179.01 178.78 1pqi h ALA 63 N 1.13 0.68 -0.10 3.43 0.00 -0.38 -1.10 119.26 122.92 1pqi h ALA 63 Ca 0.18 -0.00 -0.07 0.00 0.00 0.00 0.00 54.91 55.01 1pqi h ALA 63 Cb 0.01 -0.14 -0.01 0.00 0.00 0.00 0.00 17.79 17.65 1pqi h ALA 63 CO -0.03 0.01 -0.26 0.93 0.00 0.00 0.00 179.25 179.89 1pqi h GLU 64 N 0.61 0.19 -0.16 0.00 5.08 -0.49 -0.91 114.58 118.90 1pqi h GLU 64 Ca 0.22 -0.06 -0.01 0.00 -1.00 0.00 0.00 59.36 58.51 1pqi h GLU 64 Cb 0.05 -0.02 -0.01 0.00 0.50 0.00 0.00 28.75 29.27 1pqi h GLU 64 CO -0.11 0.44 0.05 -0.22 -1.00 0.00 0.00 179.01 178.18 1pqi h LYS 65 N 0.17 0.24 -0.75 2.33 3.64 0.14 0.15 116.57 122.49 1pqi h LYS 65 Ca 0.03 -0.05 -0.01 0.00 -1.27 0.00 0.00 60.65 59.35 1pqi h LYS 65 Cb 0.56 -0.04 -0.04 0.00 -0.41 0.00 0.00 32.23 32.31 1pqi h LYS 65 CO 0.04 0.35 0.42 -0.07 -2.27 0.00 0.00 179.45 177.92 1pqi h LEU 66 N 0.08 0.91 -0.20 5.20 3.38 -1.10 -1.31 115.31 122.29 1pqi h LEU 66 Ca 0.05 -0.07 -0.01 0.00 0.09 0.00 0.00 57.88 57.95 1pqi h LEU 66 Cb 0.20 -0.23 -0.01 0.00 0.09 0.00 0.00 40.66 40.71 1pqi h LEU 66 CO -0.00 0.73 0.09 0.15 0.09 0.00 0.00 178.44 179.49 1pqi h PHE 67 N 1.04 0.29 -0.26 1.13 -0.00 -0.77 0.38 116.94 118.75 1pqi h PHE 67 Ca 0.27 -0.02 0.05 0.00 -0.00 0.00 0.00 57.97 58.26 1pqi h PHE 67 Cb 0.00 -0.09 -0.04 0.00 -0.00 0.00 0.00 35.95 35.82 1pqi h PHE 67 CO 0.01 0.32 -0.01 -0.97 -0.00 0.00 0.00 178.31 177.65 1pqi h ASN 68 N 0.18 -0.13 -0.42 0.41 -1.24 -0.41 -0.67 115.58 113.31 1pqi h ASN 68 Ca 0.07 0.06 0.05 0.00 0.71 0.00 0.00 56.30 57.19 1pqi h ASN 68 Cb 0.14 0.11 -0.05 0.00 0.73 0.00 0.00 38.32 39.26 1pqi h ASN 68 CO -0.01 -0.03 0.15 1.56 -1.29 0.00 0.00 177.43 177.81 1pqi h GLN 69 N 0.06 0.31 -0.75 6.67 4.20 -0.90 -0.37 115.11 124.33 1pqi h GLN 69 Ca 0.12 -0.02 -0.04 0.00 0.06 0.00 0.00 58.65 58.78 1pqi h GLN 69 Cb 0.17 -0.07 -0.03 0.00 0.30 0.00 0.00 27.48 27.84 1pqi h GLN 69 CO -0.22 0.21 0.33 -0.44 -0.67 0.00 0.00 178.83 178.04 1pqi h ASP 70 N 0.32 1.01 -0.20 1.46 3.32 0.57 -0.34 116.42 122.57 1pqi h ASP 70 Ca 0.19 -0.15 -0.05 0.00 0.02 0.00 0.00 57.03 57.04 1pqi h ASP 70 Cb 0.17 -0.26 -0.01 0.00 0.22 0.00 0.00 39.33 39.46 1pqi h ASP 70 CO -0.19 0.89 -0.07 0.58 -1.72 0.00 0.00 179.24 178.72 1pqi h VAL 71 N 1.07 1.30 -0.33 -1.35 2.07 -0.95 0.27 116.25 118.33 1pqi h VAL 71 Ca 0.25 -1.10 0.05 0.00 0.82 0.00 0.00 66.70 66.73 1pqi h VAL 71 Cb 0.17 1.62 -0.05 0.00 -1.52 0.00 0.00 31.29 31.51 1pqi h VAL 71 CO -0.03 0.33 0.04 -0.78 0.02 0.00 0.00 177.57 177.16 1pqi h ASP 72 N 0.10 -0.04 -1.00 0.57 3.58 -0.87 -0.81 116.42 117.95 1pqi h ASP 72 Ca 0.05 0.06 0.03 0.00 0.42 0.00 0.00 57.03 57.58 1pqi h ASP 72 Cb 0.54 0.09 -0.06 0.00 1.72 0.00 0.00 39.33 41.63 1pqi h ASP 72 CO 0.02 0.02 0.66 0.00 -2.88 0.00 0.00 179.24 177.06 1pqi h ALA 73 N 1.26 1.33 0.04 -0.78 0.00 -1.00 0.16 119.26 120.27 1pqi h ALA 73 Ca 0.16 -0.05 0.01 0.00 0.00 0.00 0.00 54.91 55.02 1pqi h ALA 73 Cb 0.19 -0.37 -0.01 0.00 0.00 0.00 0.00 17.79 17.59 1pqi h ALA 73 CO -0.22 0.59 -0.09 0.00 0.00 0.00 0.00 179.25 179.53 1pqi h ALA 74 N 1.41 -0.13 0.16 0.00 0.00 0.29 -0.35 119.26 120.64 1pqi h ALA 74 Ca 0.39 -0.01 -0.01 0.00 0.00 0.00 0.00 54.91 55.28 1pqi h ALA 74 Cb -0.05 0.14 -0.00 0.00 0.00 0.00 0.00 17.79 17.88 1pqi h ALA 74 CO -0.11 -0.59 -0.09 0.28 0.00 0.00 0.00 179.25 178.73 1pqi h VAL 75 N -0.17 0.80 -0.85 0.00 2.07 -0.63 -1.67 116.25 115.79 1pqi h VAL 75 Ca 0.02 0.00 0.08 0.00 0.82 0.00 0.00 66.70 67.61 1pqi h VAL 75 Cb 0.19 0.80 -0.06 0.00 -1.52 0.00 0.00 31.29 30.70 1pqi h VAL 75 CO -0.06 0.00 0.56 0.03 0.02 0.00 0.00 177.57 178.12 1pqi h ARG 76 N -0.24 0.88 0.24 1.57 3.08 -0.54 -1.93 114.38 117.43 1pqi h ARG 76 Ca -0.02 -0.05 -0.01 0.00 0.07 0.00 0.00 59.98 59.97 1pqi h ARG 76 Cb 0.20 -0.20 0.00 0.00 0.08 0.00 0.00 29.97 30.05 1pqi h ARG 76 CO 0.02 0.58 -0.11 0.78 -1.07 0.00 0.00 179.97 180.17 1pqi h GLY 77 N 0.91 -0.33 0.28 0.04 0.00 -0.89 -3.09 103.07 99.99 1pqi h GLY 77 Ca 0.38 0.12 0.14 0.00 0.00 0.00 0.00 47.33 47.97 1pqi h GLY 77 CO -0.14 -0.12 0.46 -2.08 0.00 0.00 0.00 176.54 174.66 1pqi h VAL 78 N -0.66 0.77 0.00 4.60 2.07 -0.99 -0.16 116.25 121.87 1pqi h VAL 78 Ca -0.03 -0.23 0.00 0.00 0.82 0.00 0.00 66.70 67.26 1pqi h VAL 78 Cb 0.47 0.03 0.00 0.00 -1.52 0.00 0.00 31.29 30.27 1pqi h VAL 78 CO 0.05 0.12 0.00 0.18 0.02 0.00 0.00 177.57 177.95 1pqi n LEU 79 N -4.83 0.28 -0.21 2.57 4.77 -0.75 -1.27 117.00 117.55 1pqi n LEU 79 Ca 0.17 0.61 0.07 0.00 -0.03 0.00 0.00 56.01 56.82 1pqi n LEU 79 Cb 0.41 -0.61 0.10 0.00 -2.33 0.00 0.00 43.42 40.99 1pqi n LEU 79 CO 0.22 -0.60 0.47 -2.11 -1.33 0.00 0.00 177.39 174.04 1pqi n ARG 80 N -1.85 0.88 -3.91 3.23 1.85 -0.13 -4.89 116.66 111.85 1pqi n ARG 80 Ca 0.01 -2.10 -0.35 0.00 -1.00 0.00 0.00 57.85 54.40 1pqi n ARG 80 Cb 0.08 -1.19 -0.11 0.00 -1.05 0.00 0.00 32.46 30.19 1pqi n ARG 80 CO 0.00 0.00 0.00 1.21 -0.01 0.00 0.00 177.63 178.83 1pqi s ASN 81 N -2.30 5.41 0.27 2.89 3.84 -0.40 -4.98 114.94 119.67 1pqi s ASN 81 Ca 0.22 -0.05 0.09 0.00 0.21 0.00 0.00 52.86 53.33 1pqi s ASN 81 Cb 0.19 -1.95 0.34 0.00 -0.55 0.00 0.00 41.25 39.28 1pqi s ASN 81 CO 0.02 0.07 1.60 0.00 -2.79 0.00 0.00 177.10 176.01 1pqi h ALA 82 N 7.43 0.96 0.00 1.71 0.00 -1.92 0.17 119.26 127.61 1pqi h ALA 82 Ca -0.37 -0.56 -0.05 0.00 0.00 0.00 0.00 54.91 53.94 1pqi h ALA 82 Cb 1.17 -0.09 -0.01 0.00 0.00 0.00 0.00 17.79 18.86 1pqi h ALA 82 CO 0.63 0.76 -0.25 0.87 0.00 0.00 0.00 179.25 181.26 1pqi h LYS 83 N 0.04 0.00 0.00 0.00 6.56 -1.94 -3.37 116.57 117.86 1pqi h LYS 83 Ca -0.01 0.00 -0.21 0.00 -1.06 0.00 0.00 60.65 59.38 1pqi h LYS 83 Cb 1.09 0.00 -0.04 0.00 -0.57 0.00 0.00 32.23 32.71 1pqi h LYS 83 CO 0.08 0.25 -1.78 1.28 -2.06 0.00 0.00 179.45 177.23 1pqi n LEU 84 N -3.44 0.07 -0.07 2.94 4.77 -0.98 -4.71 117.00 115.58 1pqi n LEU 84 Ca -0.00 -0.00 -0.07 0.00 -0.03 0.00 0.00 56.01 55.91 1pqi n LEU 84 Cb 0.43 0.26 -0.01 0.00 -2.33 0.00 0.00 43.42 41.78 1pqi n LEU 84 CO 0.34 0.29 0.71 0.50 -1.33 0.00 0.00 177.39 177.90 1pqi h LYS 85 N 0.00 -0.18 -0.24 3.23 3.64 -0.73 0.03 116.57 122.33 1pqi h LYS 85 Ca -0.31 0.01 0.04 0.00 -1.27 0.00 0.00 60.65 59.13 1pqi h LYS 85 Cb 1.69 0.04 -0.04 0.00 -0.41 0.00 0.00 32.23 33.51 1pqi h LYS 85 CO 0.02 -0.12 -0.02 -1.35 -2.27 0.00 0.00 179.45 175.71 1pqi h PRO 86 N -0.19 0.05 -0.63 1.90 0.11 -1.82 1.02 132.00 132.43 1pqi h PRO 86 Ca 0.16 -0.00 -0.04 0.00 0.11 0.00 0.00 66.00 66.23 1pqi h PRO 86 Cb 0.43 -0.01 -0.03 0.00 0.11 0.00 0.00 31.00 31.50 1pqi h PRO 86 CO -0.41 0.03 0.26 1.98 -0.21 0.00 0.00 178.00 179.65 1pqi h MET 87 N 0.05 0.95 -0.57 1.05 1.85 -1.77 -1.40 114.93 115.09 1pqi h MET 87 Ca 0.11 -0.17 -0.11 0.00 -0.61 0.00 0.00 59.70 58.92 1pqi h MET 87 Cb 0.15 -0.15 -0.02 0.00 0.43 0.00 0.00 31.60 32.01 1pqi h MET 87 CO -0.20 0.80 -0.07 -0.92 -0.40 0.00 0.00 176.91 176.11 1pqi h TYR 88 N 0.89 1.17 0.00 1.39 5.03 -0.19 -1.90 116.97 123.36 1pqi h TYR 88 Ca 0.21 -0.23 -0.01 0.00 2.58 0.00 0.00 58.73 61.28 1pqi h TYR 88 Cb 0.20 -0.29 -0.00 0.00 1.55 0.00 0.00 36.73 38.18 1pqi h TYR 88 CO 0.01 1.06 -0.07 -0.44 -1.32 0.00 0.00 178.16 177.40 1pqi h ASP 89 N 0.94 0.00 1.09 -2.11 3.32 0.14 -1.57 116.42 118.23 1pqi h ASP 89 Ca 0.15 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.20 1pqi h ASP 89 Cb 0.64 0.00 0.00 0.00 0.22 0.00 0.00 39.33 40.19 1pqi h ASP 89 CO 0.04 0.07 0.00 0.77 -1.72 0.00 0.00 179.24 178.40 1pqi h SER 90 N 0.00 0.00 -3.35 6.45 4.64 -0.43 -3.46 113.55 117.40 1pqi h SER 90 Ca -0.00 0.00 -0.48 0.00 -0.47 0.00 0.00 61.79 60.84 1pqi h SER 90 Cb 0.14 0.00 0.03 0.00 -0.31 0.00 0.00 62.40 62.27 1pqi h SER 90 CO 0.01 0.00 0.05 -0.76 -0.87 0.00 0.00 176.83 175.26 1pqi s LEU 91 N -5.43 3.59 0.72 5.97 1.43 -0.59 -5.06 118.68 119.31 1pqi s LEU 91 Ca 0.04 0.71 -0.11 0.00 -1.03 0.00 0.00 54.13 53.74 1pqi s LEU 91 Cb 0.09 -3.61 0.02 0.00 0.03 0.00 0.00 46.19 42.72 1pqi s LEU 91 CO 0.51 -0.67 1.10 1.51 0.23 0.00 0.00 176.35 179.04 1pqi s ASP 92 N -4.16 5.34 0.32 2.29 1.47 -1.26 -4.82 116.67 115.84 1pqi s ASP 92 Ca 0.48 1.11 0.02 0.00 1.18 0.00 0.00 52.55 55.34 1pqi s ASP 92 Cb -0.10 -1.88 0.59 0.00 -0.34 0.00 0.00 42.92 41.19 1pqi s ASP 92 CO 0.43 -1.41 1.92 0.00 0.68 0.00 0.00 175.17 176.79 1pqi h ALA 93 N -0.70 1.57 0.49 2.11 0.00 -1.98 -0.03 119.26 120.72 1pqi h ALA 93 Ca -0.45 -0.02 -0.02 0.00 0.00 0.00 0.00 54.91 54.41 1pqi h ALA 93 Cb 1.26 -0.24 0.00 0.00 0.00 0.00 0.00 17.79 18.81 1pqi h ALA 93 CO 0.64 0.29 -0.24 0.28 0.00 0.00 0.00 179.25 180.22 1pqi h VAL 94 N 0.95 0.45 -0.16 0.00 2.07 -1.94 -2.03 116.25 115.59 1pqi h VAL 94 Ca 0.38 -0.33 -0.04 0.00 0.82 0.00 0.00 66.70 67.53 1pqi h VAL 94 Cb 0.24 0.58 -0.01 0.00 -1.52 0.00 0.00 31.29 30.58 1pqi h VAL 94 CO -0.14 0.05 -0.07 0.03 0.02 0.00 0.00 177.57 177.46 1pqi h ARG 95 N -0.88 0.24 -0.86 1.57 3.08 -1.81 -1.21 114.38 114.51 1pqi h ARG 95 Ca -0.07 -0.04 0.03 0.00 0.07 0.00 0.00 59.98 59.97 1pqi h ARG 95 Cb 0.59 -0.04 -0.05 0.00 0.08 0.00 0.00 29.97 30.55 1pqi h ARG 95 CO 0.11 0.33 0.55 0.00 -1.07 0.00 0.00 179.97 179.89 1pqi h ARG 96 N 0.23 1.06 -0.70 0.04 3.08 -0.75 -1.78 114.38 115.56 1pqi h ARG 96 Ca 0.05 -0.06 0.08 0.00 0.07 0.00 0.00 59.98 60.12 1pqi h ARG 96 Cb 0.28 -0.24 -0.06 0.00 0.08 0.00 0.00 29.97 30.03 1pqi h ARG 96 CO 0.01 0.70 0.37 0.00 -1.07 0.00 0.00 179.97 179.98 1pqi h ALA 97 N 1.35 0.96 -0.64 0.04 0.00 -0.49 0.41 119.26 120.89 1pqi h ALA 97 Ca 0.34 0.04 0.02 0.00 0.00 0.00 0.00 54.91 55.30 1pqi h ALA 97 Cb -0.02 -0.09 -0.04 0.00 0.00 0.00 0.00 17.79 17.65 1pqi h ALA 97 CO -0.11 0.00 0.41 0.00 0.00 0.00 0.00 179.25 179.55 1pqi h ALA 98 N 1.40 0.82 -0.51 0.00 0.00 -1.11 0.11 119.26 119.97 1pqi h ALA 98 Ca 0.33 -0.03 -0.02 0.00 0.00 0.00 0.00 54.91 55.19 1pqi h ALA 98 Cb 0.29 -0.23 -0.02 0.00 0.00 0.00 0.00 17.79 17.83 1pqi h ALA 98 CO -0.23 0.19 0.23 1.25 0.00 0.00 0.00 179.25 180.69 1pqi h LEU 99 N 0.81 0.68 -0.89 0.00 6.46 -0.43 -1.49 115.31 120.46 1pqi h LEU 99 Ca 0.24 -0.14 -0.01 0.00 -0.12 0.00 0.00 57.88 57.85 1pqi h LEU 99 Cb -0.04 -0.17 -0.04 0.00 -0.73 0.00 0.00 40.66 39.68 1pqi h LEU 99 CO -0.08 0.63 0.50 0.40 -0.62 0.00 0.00 178.44 179.28 1pqi h ILE 100 N 0.68 1.25 -0.04 4.05 1.08 -0.33 -1.45 117.51 122.75 1pqi h ILE 100 Ca 0.17 -0.61 0.03 0.00 -0.39 0.00 0.00 64.86 64.06 1pqi h ILE 100 Cb 0.14 0.04 -0.03 0.00 -3.07 0.00 0.00 36.82 33.90 1pqi h ILE 100 CO -0.02 0.28 -0.12 -1.13 -0.69 0.00 0.00 178.15 176.47 1pqi h ASN 101 N 1.24 -0.36 -0.53 1.72 -0.73 -0.21 0.30 115.58 117.01 1pqi h ASN 101 Ca 0.32 0.06 0.05 0.00 1.87 0.00 0.00 56.30 58.60 1pqi h ASN 101 Cb 0.00 0.16 -0.05 0.00 0.27 0.00 0.00 38.32 38.71 1pqi h ASN 101 CO -0.05 -0.17 0.26 0.24 -0.37 0.00 0.00 177.43 177.34 1pqi h MET 102 N -0.18 0.49 -0.85 6.67 2.86 -0.93 -0.04 114.93 122.94 1pqi h MET 102 Ca 0.06 -0.03 -0.03 0.00 -2.06 0.00 0.00 59.70 57.64 1pqi h MET 102 Cb 0.26 -0.11 -0.04 0.00 0.06 0.00 0.00 31.60 31.77 1pqi h MET 102 CO -0.15 0.33 0.42 0.28 1.06 0.00 0.00 176.91 178.84 1pqi h VAL 103 N 0.51 1.26 -0.52 -2.22 2.07 -0.69 0.15 116.25 116.81 1pqi h VAL 103 Ca 0.24 -0.71 0.03 0.00 0.82 0.00 0.00 66.70 67.07 1pqi h VAL 103 Cb 0.16 0.16 -0.04 0.00 -1.52 0.00 0.00 31.29 30.05 1pqi h VAL 103 CO -0.17 0.31 0.30 0.15 0.02 0.00 0.00 177.57 178.18 1pqi h PHE 104 N 1.21 0.57 -0.27 1.57 3.04 -0.32 0.72 116.94 123.46 1pqi h PHE 104 Ca 0.29 0.02 -0.08 0.00 3.98 0.00 0.00 57.97 62.19 1pqi h PHE 104 Cb 0.10 -0.18 -0.01 0.00 2.56 0.00 0.00 35.95 38.42 1pqi h PHE 104 CO 0.01 0.32 -0.13 0.37 -2.02 0.00 0.00 178.31 176.86 1pqi h GLN 105 N 0.60 0.57 0.00 1.11 4.15 -0.39 -3.39 115.11 117.77 1pqi h GLN 105 Ca 0.21 -0.25 0.00 0.00 0.77 0.00 0.00 58.65 59.38 1pqi h GLN 105 Cb 0.04 -0.02 0.00 0.00 0.21 0.00 0.00 27.48 27.71 1pqi h GLN 105 CO -0.10 0.81 0.00 0.00 -1.93 0.00 0.00 178.83 177.61 1pqi n MET 106 N -4.45 1.44 0.00 1.69 0.00 0.48 -5.10 117.12 111.18 1pqi n MET 106 Ca -0.04 -0.33 0.00 0.00 0.00 0.00 0.00 57.70 57.34 1pqi n MET 106 Cb 0.36 -0.82 0.00 0.00 0.00 0.00 0.00 33.22 32.76 1pqi n MET 106 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 175.97 176.38 1pqi n GLY 107 N 0.30 -1.58 0.34 3.17 0.00 0.25 -3.75 105.19 103.93 1pqi n GLY 107 Ca 0.00 -1.49 0.04 0.00 0.00 0.00 0.00 46.02 44.57 1pqi n GLY 107 CO 0.00 0.00 0.00 0.83 0.00 0.00 0.00 173.32 174.15 1pqi h GLU 108 N 0.00 0.92 0.03 1.61 5.08 -1.93 -1.07 114.58 119.22 1pqi h GLU 108 Ca 0.00 -0.06 0.00 0.00 -1.00 0.00 0.00 59.36 58.31 1pqi h GLU 108 Cb 0.00 -0.21 -0.00 0.00 0.50 0.00 0.00 28.75 29.04 1pqi h GLU 108 CO 0.00 0.61 -0.03 1.15 -1.00 0.00 0.00 179.01 179.74 1pqi h THR 109 N 0.95 0.94 -0.47 1.13 2.02 -1.97 0.16 112.91 115.67 1pqi h THR 109 Ca 0.44 0.00 0.07 0.00 0.77 0.00 0.00 66.41 67.70 1pqi h THR 109 Cb 0.37 0.94 -0.06 0.00 -1.74 0.00 0.00 68.15 67.66 1pqi h THR 109 CO -0.24 0.00 0.11 1.23 0.37 0.00 0.00 175.52 176.99 1pqi h GLY 110 N -0.06 0.58 1.37 2.16 0.00 -1.45 -2.32 103.07 103.34 1pqi h GLY 110 Ca 0.00 -0.04 -0.10 0.00 0.00 0.00 0.00 47.33 47.19 1pqi h GLY 110 CO -0.00 -0.04 -0.19 -2.08 0.00 0.00 0.00 176.54 174.23 1pqi h VAL 111 N 0.25 1.27 0.00 4.60 2.07 -0.80 -1.70 116.25 121.94 1pqi h VAL 111 Ca 0.23 -1.27 0.00 0.00 0.82 0.00 0.00 66.70 66.48 1pqi h VAL 111 Cb 0.29 1.17 0.00 0.00 -1.52 0.00 0.00 31.29 31.23 1pqi h VAL 111 CO -0.29 0.42 0.00 0.00 0.02 0.00 0.00 177.57 177.73 1pqi h ALA 112 N 1.14 1.00 0.00 1.67 0.00 -0.23 -2.08 119.26 120.76 1pqi h ALA 112 Ca 0.10 0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.01 1pqi h ALA 112 Cb 0.67 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.46 1pqi h ALA 112 CO 0.05 0.00 0.00 0.78 0.00 0.00 0.00 179.25 180.08 1pqi h GLY 113 N 1.68 0.00 -3.27 0.00 0.00 -0.78 -2.90 103.07 97.79 1pqi h GLY 113 Ca 0.00 0.00 -0.26 0.00 0.00 0.00 0.00 47.33 47.07 1pqi h GLY 113 CO 0.00 0.00 0.34 0.69 0.00 0.00 0.00 176.54 177.57 1pqi n PHE 114 N -2.97 1.30 -0.29 5.60 3.72 -0.78 -4.69 117.46 119.35 1pqi n PHE 114 Ca -0.01 -1.66 0.01 0.00 -0.05 0.00 0.00 57.45 55.74 1pqi n PHE 114 Cb 0.15 -0.81 0.07 0.00 -0.94 0.00 0.00 39.48 37.96 1pqi n PHE 114 CO 0.00 0.00 0.00 1.15 -0.05 0.00 0.00 176.76 177.86 1pqi h THR 115 N 0.87 0.14 -0.23 4.37 2.02 -1.74 0.14 112.91 118.48 1pqi h THR 115 Ca 0.25 0.00 -0.03 0.00 0.77 0.00 0.00 66.41 67.40 1pqi h THR 115 Cb 1.11 0.14 -0.01 0.00 -1.74 0.00 0.00 68.15 67.65 1pqi h THR 115 CO 0.60 0.00 0.02 0.78 0.37 0.00 0.00 175.52 177.30 1pqi h ASN 116 N -0.03 0.38 -0.45 4.18 -0.26 -1.91 -0.99 115.58 116.50 1pqi h ASN 116 Ca 0.36 -0.28 -0.01 0.00 -0.56 0.00 0.00 56.30 55.80 1pqi h ASN 116 Cb 0.60 -0.10 -0.02 0.00 -1.06 0.00 0.00 38.32 37.73 1pqi h ASN 116 CO -0.84 0.57 0.23 0.28 -1.06 0.00 0.00 177.43 176.60 1pqi h SER 117 N 0.18 0.58 -0.61 5.81 0.02 -1.74 -2.06 113.55 115.73 1pqi h SER 117 Ca 0.07 -0.11 0.08 0.00 -0.84 0.00 0.00 61.79 60.98 1pqi h SER 117 Cb 0.36 -0.15 -0.06 0.00 0.14 0.00 0.00 62.40 62.69 1pqi h SER 117 CO 0.01 0.53 0.27 -0.07 -1.14 0.00 0.00 176.83 176.42 1pqi h LEU 118 N 0.59 0.32 -0.62 5.07 3.38 -0.59 0.21 115.31 123.67 1pqi h LEU 118 Ca 0.16 0.06 0.03 0.00 0.09 0.00 0.00 57.88 58.21 1pqi h LEU 118 Cb 0.09 0.01 -0.04 0.00 0.09 0.00 0.00 40.66 40.82 1pqi h LEU 118 CO -0.02 0.20 0.38 -0.09 0.09 0.00 0.00 178.44 178.99 1pqi h ARG 119 N 0.48 0.72 -0.77 1.13 2.43 -0.85 0.22 114.38 117.73 1pqi h ARG 119 Ca 0.30 -0.04 -0.02 0.00 -0.81 0.00 0.00 59.98 59.41 1pqi h ARG 119 Cb 0.31 -0.16 -0.04 0.00 -0.42 0.00 0.00 29.97 29.66 1pqi h ARG 119 CO -0.26 0.48 0.42 1.88 -1.51 0.00 0.00 179.97 180.98 1pqi h TYR 120 N 0.74 1.06 -0.29 2.20 0.99 -0.55 0.11 116.97 121.22 1pqi h TYR 120 Ca 0.25 -0.02 0.00 0.00 2.00 0.00 0.00 58.73 60.96 1pqi h TYR 120 Cb 0.03 -0.34 -0.01 0.00 1.00 0.00 0.00 36.73 37.40 1pqi h TYR 120 CO -0.05 0.74 0.19 -0.07 -0.00 0.00 0.00 178.16 178.96 1pqi h LEU 121 N 1.08 0.34 -1.87 3.88 3.38 0.32 0.40 115.31 122.83 1pqi h LEU 121 Ca 0.27 -0.02 0.04 0.00 0.09 0.00 0.00 57.88 58.27 1pqi h LEU 121 Cb 0.03 -0.08 -0.01 0.00 0.09 0.00 0.00 40.66 40.69 1pqi h LEU 121 CO -0.04 0.25 0.18 -0.61 0.09 0.00 0.00 178.44 178.31 1pqi h GLN 122 N 0.39 0.16 0.00 1.13 4.15 0.29 0.38 115.11 121.60 1pqi h GLN 122 Ca 0.11 -0.01 0.00 0.00 0.77 0.00 0.00 58.65 59.52 1pqi h GLN 122 Cb -0.03 -0.04 0.00 0.00 0.21 0.00 0.00 27.48 27.62 1pqi h GLN 122 CO -0.02 0.10 -0.20 1.04 -1.93 0.00 0.00 178.83 177.82 1pqi n GLN 123 N -4.49 0.08 -2.51 1.69 6.02 -0.06 -4.92 117.38 113.20 1pqi n GLN 123 Ca 0.02 0.05 -0.14 0.00 -0.01 0.00 0.00 57.00 56.92 1pqi n GLN 123 Cb 0.22 -1.58 0.01 0.00 1.02 0.00 0.00 30.24 29.91 1pqi n GLN 123 CO 0.00 0.00 0.00 1.63 -1.01 0.00 0.00 177.06 177.68 1pqi n LYS 124 N -1.71 -2.13 -3.09 -1.09 5.02 0.13 -4.92 118.16 110.37 1pqi n LYS 124 Ca 0.06 0.60 -0.44 0.00 -2.02 0.00 0.00 58.31 56.52 1pqi n LYS 124 Cb 0.37 -4.80 0.01 0.00 -0.02 0.00 0.00 35.03 30.59 1pqi n LYS 124 CO 0.00 0.00 0.00 0.54 -0.52 0.00 0.00 177.40 177.42 1pqi n ARG 125 N -2.55 4.08 -0.16 1.97 1.74 0.22 -4.90 116.66 117.06 1pqi n ARG 125 Ca -0.11 -4.45 -0.06 0.00 -0.77 0.00 0.00 57.85 52.46 1pqi n ARG 125 Cb 0.60 -2.56 0.00 0.00 -1.02 0.00 0.00 32.46 29.47 1pqi n ARG 125 CO 0.00 0.00 0.00 -1.49 -1.52 0.00 0.00 177.63 174.62 1pqi h TRP 126 N 5.93 -0.84 -0.28 -1.55 4.06 -1.88 0.47 115.95 121.86 1pqi h TRP 126 Ca 0.21 0.06 -0.12 0.00 2.06 0.00 0.00 58.89 61.10 1pqi h TRP 126 Cb 0.71 0.44 -0.01 0.00 -1.00 0.00 0.00 29.16 29.30 1pqi h TRP 126 CO 0.94 -0.37 -0.34 -0.44 -3.56 0.00 0.00 178.44 174.67 1pqi h ASP 127 N -0.19 0.63 -0.47 -3.49 5.19 -1.90 -1.33 116.42 114.85 1pqi h ASP 127 Ca 0.21 -0.26 -0.07 0.00 -0.62 0.00 0.00 57.03 56.30 1pqi h ASP 127 Cb 0.53 -0.17 -0.02 0.00 0.18 0.00 0.00 39.33 39.85 1pqi h ASP 127 CO -0.59 0.92 0.04 -0.33 -3.12 0.00 0.00 179.24 176.15 1pqi h GLU 128 N 0.51 0.80 -0.34 3.56 5.08 -1.81 -1.27 114.58 121.12 1pqi h GLU 128 Ca 0.06 -0.24 0.01 0.00 -1.00 0.00 0.00 59.36 58.19 1pqi h GLU 128 Cb 0.83 -0.08 -0.02 0.00 0.50 0.00 0.00 28.75 29.98 1pqi h GLU 128 CO 0.07 0.83 0.21 0.00 -1.00 0.00 0.00 179.01 179.13 1pqi h ALA 129 N 0.94 0.43 -0.53 3.43 0.00 -0.81 -1.62 119.26 121.10 1pqi h ALA 129 Ca 0.14 -0.02 0.10 0.00 0.00 0.00 0.00 54.91 55.13 1pqi h ALA 129 Cb 0.45 -0.12 -0.08 0.00 0.00 0.00 0.00 17.79 18.04 1pqi h ALA 129 CO 0.02 -0.13 0.10 0.00 0.00 0.00 0.00 179.25 179.23 1pqi h ALA 130 N 1.13 0.60 -0.47 0.00 0.00 -0.92 0.46 119.26 120.06 1pqi h ALA 130 Ca 0.13 0.12 -0.02 0.00 0.00 0.00 0.00 54.91 55.14 1pqi h ALA 130 Cb -0.03 0.17 -0.02 0.00 0.00 0.00 0.00 17.79 17.91 1pqi h ALA 130 CO -0.04 -0.32 0.21 0.28 0.00 0.00 0.00 179.25 179.39 1pqi h VAL 131 N 0.23 1.19 -0.50 0.00 2.07 -1.01 -2.99 116.25 115.23 1pqi h VAL 131 Ca 0.27 -0.57 -0.07 0.00 0.82 0.00 0.00 66.70 67.15 1pqi h VAL 131 Cb 0.39 0.70 -0.02 0.00 -1.52 0.00 0.00 31.29 30.84 1pqi h VAL 131 CO -0.36 0.22 0.02 -1.13 0.02 0.00 0.00 177.57 176.34 1pqi h ASN 132 N 0.61 0.84 -0.83 0.57 -0.73 -0.27 -2.83 115.58 112.95 1pqi h ASN 132 Ca 0.16 -0.29 0.10 0.00 1.87 0.00 0.00 56.30 58.14 1pqi h ASN 132 Cb 0.14 -0.23 -0.06 0.00 0.27 0.00 0.00 38.32 38.45 1pqi h ASN 132 CO -0.02 0.93 0.54 -0.26 -0.37 0.00 0.00 177.43 178.25 1pqi h PHE 133 N 0.73 0.82 0.00 0.67 -1.00 -0.00 -1.38 116.94 116.78 1pqi h PHE 133 Ca 0.14 0.02 0.00 0.00 2.81 0.00 0.00 57.97 60.95 1pqi h PHE 133 Cb 0.48 -0.27 0.00 0.00 3.61 0.00 0.00 35.95 39.78 1pqi h PHE 133 CO 0.04 0.37 0.00 0.00 -1.61 0.00 0.00 178.31 177.11 1pqi h ALA 134 N 1.59 1.00 -0.97 2.45 0.00 -1.36 -3.31 119.26 118.65 1pqi h ALA 134 Ca 0.39 0.00 -0.75 0.00 0.00 0.00 0.00 54.91 54.55 1pqi h ALA 134 Cb 0.48 0.00 -0.15 0.00 0.00 0.00 0.00 17.79 18.12 1pqi h ALA 134 CO -0.16 0.00 1.98 1.63 0.00 0.00 0.00 179.25 182.71 1pqi n LYS 135 N -2.58 3.55 -3.63 0.00 5.02 -0.52 -4.66 118.16 115.34 1pqi n LYS 135 Ca 0.00 -3.53 -0.14 0.00 -2.02 0.00 0.00 58.31 52.63 1pqi n LYS 135 Cb 0.20 -2.96 -0.06 0.00 -0.02 0.00 0.00 35.03 32.19 1pqi n LYS 135 CO 0.00 0.00 0.00 -1.54 -0.52 0.00 0.00 177.40 175.34 1pqi s SER 136 N 1.26 -0.37 0.22 4.39 1.04 -1.25 -5.01 113.70 113.97 1pqi s SER 136 Ca 0.40 0.16 -0.09 0.00 0.48 0.00 0.00 55.95 56.91 1pqi s SER 136 Cb 0.08 0.45 0.25 0.00 0.10 0.00 0.00 66.02 66.90 1pqi s SER 136 CO 0.00 -0.65 1.82 -0.09 0.98 0.00 0.00 173.24 175.30 1pqi h ARG 137 N 3.02 0.74 -0.62 4.02 2.43 -1.92 -2.29 114.38 119.76 1pqi h ARG 137 Ca -0.30 -0.04 0.12 0.00 -0.81 0.00 0.00 59.98 58.94 1pqi h ARG 137 Cb 1.20 -0.17 -0.12 0.00 -0.42 0.00 0.00 29.97 30.46 1pqi h ARG 137 CO 0.42 0.49 -0.25 2.35 -1.51 0.00 0.00 179.97 181.46 1pqi h TRP 138 N 0.76 -0.65 -0.40 2.20 7.01 -1.95 0.82 115.95 123.73 1pqi h TRP 138 Ca 0.31 0.07 -0.05 0.00 2.11 0.00 0.00 58.89 61.32 1pqi h TRP 138 Cb 0.17 0.38 -0.02 0.00 -2.10 0.00 0.00 29.16 27.59 1pqi h TRP 138 CO -0.06 -0.34 0.04 -0.92 -2.79 0.00 0.00 178.44 174.37 1pqi h TYR 139 N -0.09 0.73 -0.74 2.65 3.20 -1.71 0.35 116.97 121.35 1pqi h TYR 139 Ca 0.27 -0.11 0.02 0.00 3.14 0.00 0.00 58.73 62.05 1pqi h TYR 139 Cb 0.52 -0.20 -0.04 0.00 1.54 0.00 0.00 36.73 38.56 1pqi h TYR 139 CO -0.59 0.73 0.48 -0.91 -1.64 0.00 0.00 178.16 176.24 1pqi h ASN 140 N 0.53 0.82 0.08 -2.11 2.35 -0.76 -1.09 115.58 115.40 1pqi h ASN 140 Ca 0.12 -0.02 -0.27 0.00 -0.55 0.00 0.00 56.30 55.58 1pqi h ASN 140 Cb 0.41 -0.20 0.02 0.00 0.05 0.00 0.00 38.32 38.60 1pqi h ASN 140 CO 0.01 0.59 -1.10 1.56 -1.65 0.00 0.00 177.43 176.84 1pqi h GLN 141 N 0.97 0.65 -2.12 0.81 1.08 -0.76 -3.38 115.11 112.36 1pqi h GLN 141 Ca 0.28 -0.75 -0.58 0.00 -1.45 0.00 0.00 58.65 56.15 1pqi h GLN 141 Cb -0.07 0.22 -0.41 0.00 -0.05 0.00 0.00 27.48 27.18 1pqi h GLN 141 CO -0.08 1.32 -0.80 0.25 -0.95 0.00 0.00 178.83 178.58 1pqi n THR 142 N -3.82 1.22 -0.29 -0.54 -2.24 0.10 -4.97 114.28 103.74 1pqi n THR 142 Ca -0.11 -4.79 -0.05 0.00 -2.27 0.00 0.00 64.05 56.83 1pqi n THR 142 Cb 0.91 -1.95 0.07 0.00 -2.10 0.00 0.00 70.33 67.26 1pqi n THR 142 CO 0.00 0.00 0.00 1.55 -0.57 0.00 0.00 175.07 176.05 1pqi h PRO 143 N 4.01 1.09 -0.20 -0.78 0.13 -1.38 -0.16 132.00 134.71 1pqi h PRO 143 Ca 0.15 -0.13 -0.02 0.00 -0.87 0.00 0.00 66.00 65.13 1pqi h PRO 143 Cb 0.74 -0.21 -0.01 0.00 0.13 0.00 0.00 31.00 31.65 1pqi h PRO 143 CO 0.69 0.81 0.06 -0.91 -0.23 0.00 0.00 178.00 178.42 1pqi h ASN 144 N 1.08 0.29 -0.10 1.44 2.35 -1.93 0.11 115.58 118.83 1pqi h ASN 144 Ca 0.28 -0.21 -0.00 0.00 -0.55 0.00 0.00 56.30 55.81 1pqi h ASN 144 Cb 0.03 -0.08 -0.00 0.00 0.05 0.00 0.00 38.32 38.32 1pqi h ASN 144 CO -0.04 0.43 0.05 -0.09 -1.65 0.00 0.00 177.43 176.12 1pqi h ARG 145 N 0.15 0.14 -0.62 0.81 2.43 -1.96 -1.56 114.38 113.77 1pqi h ARG 145 Ca 0.06 -0.02 0.07 0.00 -0.81 0.00 0.00 59.98 59.28 1pqi h ARG 145 Cb 0.24 -0.03 -0.06 0.00 -0.42 0.00 0.00 29.97 29.71 1pqi h ARG 145 CO -0.00 0.20 0.31 0.00 -1.51 0.00 0.00 179.97 178.97 1pqi h ALA 146 N 0.93 0.82 -0.79 2.80 0.00 -0.90 -0.56 119.26 121.55 1pqi h ALA 146 Ca 0.03 0.04 -0.00 0.00 0.00 0.00 0.00 54.91 54.98 1pqi h ALA 146 Cb 0.11 -0.06 -0.04 0.00 0.00 0.00 0.00 17.79 17.80 1pqi h ALA 146 CO -0.00 -0.05 0.49 0.87 0.00 0.00 0.00 179.25 180.55 1pqi h LYS 147 N 0.57 1.06 -0.14 0.00 1.57 -0.57 0.52 116.57 119.57 1pqi h LYS 147 Ca 0.29 -0.08 -0.01 0.00 -1.87 0.00 0.00 60.65 58.98 1pqi h LYS 147 Cb 0.24 -0.23 -0.01 0.00 0.08 0.00 0.00 32.23 32.31 1pqi h LYS 147 CO -0.21 0.73 0.06 0.00 -0.57 0.00 0.00 179.45 179.46 1pqi h ARG 148 N 1.08 0.20 -0.69 3.15 3.08 -0.10 -0.84 114.38 120.26 1pqi h ARG 148 Ca 0.29 -0.03 0.03 0.00 0.07 0.00 0.00 59.98 60.33 1pqi h ARG 148 Cb -0.07 -0.04 -0.04 0.00 0.08 0.00 0.00 29.97 29.91 1pqi h ARG 148 CO -0.06 0.27 0.43 0.82 -1.07 0.00 0.00 179.97 180.37 1pqi h ILE 149 N 0.09 1.11 -0.88 2.04 1.08 -0.88 -1.86 117.51 118.21 1pqi h ILE 149 Ca 0.05 -0.29 -0.02 0.00 -0.39 0.00 0.00 64.86 64.21 1pqi h ILE 149 Cb 0.14 0.18 -0.04 0.00 -3.07 0.00 0.00 36.82 34.02 1pqi h ILE 149 CO -0.01 0.16 0.48 0.40 -0.69 0.00 0.00 178.15 178.49 1pqi h ILE 150 N 0.86 1.26 -0.09 -0.67 2.04 -0.70 -1.09 117.51 119.11 1pqi h ILE 150 Ca 0.27 -0.65 -0.06 0.00 1.00 0.00 0.00 64.86 65.42 1pqi h ILE 150 Cb -0.01 0.07 -0.01 0.00 -0.74 0.00 0.00 36.82 36.13 1pqi h ILE 150 CO -0.10 0.29 -0.22 0.71 0.00 0.00 0.00 178.15 178.84 1pqi h THR 151 N 1.24 1.20 -0.31 -0.27 1.35 -0.39 0.14 112.91 115.88 1pqi h THR 151 Ca 0.31 -0.94 -0.08 0.00 -0.55 0.00 0.00 66.41 65.15 1pqi h THR 151 Cb 0.04 1.38 -0.01 0.00 -1.73 0.00 0.00 68.15 67.83 1pqi h THR 151 CO -0.05 0.28 -0.13 0.58 -0.25 0.00 0.00 175.52 175.96 1pqi h VAL 152 N 0.14 1.29 -0.59 6.82 2.07 -0.65 -1.13 116.25 124.20 1pqi h VAL 152 Ca 0.03 -1.21 -0.07 0.00 0.82 0.00 0.00 66.70 66.26 1pqi h VAL 152 Cb 0.47 1.42 -0.03 0.00 -1.52 0.00 0.00 31.29 31.64 1pqi h VAL 152 CO 0.03 0.39 0.09 -0.26 0.02 0.00 0.00 177.57 177.84 1pqi h PHE 153 N 0.40 1.02 -0.06 1.57 0.05 -0.43 0.39 116.94 119.88 1pqi h PHE 153 Ca 0.07 -0.13 -0.01 0.00 3.82 0.00 0.00 57.97 61.72 1pqi h PHE 153 Cb 0.64 -0.28 -0.00 0.00 2.00 0.00 0.00 35.95 38.31 1pqi h PHE 153 CO 0.06 0.87 -0.00 -0.09 -0.18 0.00 0.00 178.31 178.97 1pqi h ARG 154 N 0.91 0.11 0.00 1.51 2.43 -0.60 -3.37 114.38 115.37 1pqi h ARG 154 Ca 0.18 -0.03 -0.27 0.00 -0.81 0.00 0.00 59.98 59.05 1pqi h ARG 154 Cb 0.41 -0.01 -0.05 0.00 -0.42 0.00 0.00 29.97 29.90 1pqi h ARG 154 CO 0.01 0.39 -1.92 0.25 -1.51 0.00 0.00 179.97 177.19 1pqi n THR 155 N -4.86 1.31 -1.09 0.20 -2.24 -0.44 -4.76 114.28 102.40 1pqi n THR 155 Ca -0.07 -0.77 -0.03 0.00 -2.27 0.00 0.00 64.05 60.91 1pqi n THR 155 Cb 0.19 -0.68 -0.01 0.00 -2.10 0.00 0.00 70.33 67.73 1pqi n THR 155 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 1pqi n GLY 156 N 1.57 0.62 3.42 3.38 0.00 0.14 -5.03 105.19 109.29 1pqi n GLY 156 Ca -0.20 -0.64 -0.21 0.00 0.00 0.00 0.00 46.02 44.97 1pqi n GLY 156 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 1pqi s THR 157 N -2.06 1.73 -2.10 2.61 -4.23 -1.26 -4.80 115.64 105.53 1pqi s THR 157 Ca 0.00 -2.15 0.18 0.00 -1.18 0.00 0.00 61.69 58.54 1pqi s THR 157 Cb 0.00 -2.40 0.47 0.00 1.34 0.00 0.00 72.50 71.92 1pqi s THR 157 CO 0.00 -0.34 1.42 0.79 -0.54 0.00 0.00 174.62 175.95 1pqi n TRP 158 N -0.57 0.64 -0.31 3.99 7.02 -1.26 -4.44 117.44 122.51 1pqi n TRP 158 Ca -0.06 -0.32 0.16 0.00 -1.02 0.00 0.00 57.50 56.26 1pqi n TRP 158 Cb 0.63 0.00 0.33 0.00 -2.42 0.00 0.00 31.31 29.85 1pqi n TRP 158 CO 0.00 0.00 0.00 -0.44 -2.02 0.00 0.00 177.69 175.23 1pqi h ASP 159 N 3.25 0.10 0.15 -0.99 3.45 -1.96 0.15 116.42 120.57 1pqi h ASP 159 Ca 0.00 0.20 0.00 0.00 0.43 0.00 0.00 57.03 57.66 1pqi h ASP 159 Cb 0.74 0.25 0.00 0.00 -0.56 0.00 0.00 39.33 39.75 1pqi h ASP 159 CO 0.00 -0.16 0.00 0.00 -1.57 0.00 0.00 179.24 177.51 1pqi h ALA 160 N 1.81 1.00 -0.00 3.45 0.00 -1.91 -1.66 119.26 121.95 1pqi h ALA 160 Ca 0.60 0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.51 1pqi h ALA 160 Cb 1.26 0.00 0.00 0.00 0.00 0.00 0.00 17.79 19.05 1pqi h ALA 160 CO -0.66 0.00 -0.55 0.66 0.00 0.00 0.00 179.25 178.70 1pqi n TYR 161 N -2.49 0.00 0.30 0.00 4.01 0.49 -4.66 117.16 114.81 1pqi n TYR 161 Ca -0.01 0.00 0.03 0.00 -0.16 0.00 0.00 57.90 57.76 1pqi n TYR 161 Cb 0.08 0.00 0.18 0.00 -0.31 0.00 0.00 39.34 39.29 1pqi n TYR 161 CO 0.00 0.00 0.00 0.87 -0.46 0.00 0.00 176.86 177.27 1pqi h LYS 162 N 0.30 0.00 -0.33 -0.72 1.57 -0.80 -1.73 116.57 114.87 1pqi h LYS 162 Ca 0.00 0.00 -0.25 0.00 -1.87 0.00 0.00 60.65 58.53 1pqi h LYS 162 Cb 0.34 0.00 -0.25 0.00 0.08 0.00 0.00 32.23 32.40 1pqi h LYS 162 CO 0.00 0.00 -0.66 0.09 -0.57 0.00 0.00 179.45 178.31 1pqi n ASN 163 N -2.45 -0.50 -0.65 0.86 3.02 -1.26 -5.08 115.26 109.19 1pqi n ASN 163 Ca -0.00 -2.44 0.08 0.00 -0.03 0.00 0.00 54.58 52.19 1pqi n ASN 163 Cb 0.81 0.36 0.07 0.00 -0.61 0.00 0.00 39.78 40.41 1pqi n ASN 163 CO 0.00 0.00 0.00 0.18 -2.62 0.00 0.00 177.26 174.82