#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1pqk s ASN 2 N 0.00 -0.09 0.39 7.83 2.20 -1.26 -5.03 114.94 118.98 1pqk s ASN 2 Ca 0.00 -0.85 0.07 0.00 -0.94 0.00 0.00 52.86 51.14 1pqk s ASN 2 Cb 0.00 0.68 0.82 0.00 -2.00 0.00 0.00 41.25 40.75 1pqk s ASN 2 CO 0.00 -1.30 1.99 -0.29 -2.94 0.00 0.00 177.10 174.57 1pqk h ILE 3 N 2.11 1.03 0.18 0.54 6.09 -1.97 0.28 117.51 125.78 1pqk h ILE 3 Ca -0.24 -0.22 -0.01 0.00 -1.37 0.00 0.00 64.86 63.02 1pqk h ILE 3 Cb 1.25 0.33 0.00 0.00 0.47 0.00 0.00 36.82 38.87 1pqk h ILE 3 CO 0.31 0.12 -0.09 -0.26 -3.07 0.00 0.00 178.15 175.16 1pqk h PHE 4 N 0.64 -0.23 -0.86 2.19 -1.00 -1.98 0.17 116.94 115.87 1pqk h PHE 4 Ca 0.26 -0.01 0.05 0.00 2.81 0.00 0.00 57.97 61.08 1pqk h PHE 4 Cb 0.20 0.08 -0.06 0.00 3.61 0.00 0.00 35.95 39.78 1pqk h PHE 4 CO -0.00 0.14 0.54 0.93 -1.61 0.00 0.00 178.31 178.31 1pqk h GLU 5 N -0.64 0.98 0.22 1.51 5.08 -1.84 0.20 114.58 120.09 1pqk h GLU 5 Ca -0.03 -0.06 -0.01 0.00 -1.00 0.00 0.00 59.36 58.27 1pqk h GLU 5 Cb 0.47 -0.22 0.00 0.00 0.50 0.00 0.00 28.75 29.50 1pqk h GLU 5 CO 0.04 0.65 -0.10 1.98 -1.00 0.00 0.00 179.01 180.58 1pqk h MET 6 N 1.01 -0.28 -0.32 2.33 4.05 -0.32 -1.80 114.93 119.59 1pqk h MET 6 Ca 0.37 0.02 -0.04 0.00 -0.28 0.00 0.00 59.70 59.77 1pqk h MET 6 Cb 0.12 0.06 -0.02 0.00 -0.80 0.00 0.00 31.60 30.96 1pqk h MET 6 CO -0.15 -0.15 0.03 -0.07 0.23 0.00 0.00 176.91 176.80 1pqk h LEU 7 N -0.35 0.45 -0.81 3.39 3.38 -0.27 -1.55 115.31 119.56 1pqk h LEU 7 Ca -0.03 -0.07 0.07 0.00 0.09 0.00 0.00 57.88 57.94 1pqk h LEU 7 Cb 0.27 -0.12 -0.06 0.00 0.09 0.00 0.00 40.66 40.84 1pqk h LEU 7 CO 0.05 0.49 0.49 -0.09 0.09 0.00 0.00 178.44 179.47 1pqk h ARG 8 N 0.47 0.85 -0.18 1.13 9.65 -0.12 0.71 114.38 126.89 1pqk h ARG 8 Ca 0.11 -0.05 -0.04 0.00 -1.10 0.00 0.00 59.98 58.90 1pqk h ARG 8 Cb 0.26 -0.19 -0.01 0.00 -1.39 0.00 0.00 29.97 28.64 1pqk h ARG 8 CO 0.00 0.56 -0.02 0.82 2.80 0.00 0.00 179.97 184.13 1pqk h ILE 9 N 0.88 1.27 -0.28 1.20 2.04 -0.82 0.11 117.51 121.91 1pqk h ILE 9 Ca 0.36 -0.94 -0.13 0.00 1.00 0.00 0.00 64.86 65.15 1pqk h ILE 9 Cb 0.20 1.53 -0.01 0.00 -0.74 0.00 0.00 36.82 37.80 1pqk h ILE 9 CO -0.19 0.28 -0.36 0.44 0.00 0.00 0.00 178.15 178.33 1pqk h ASP 10 N 0.07 0.67 0.52 1.72 3.32 -0.56 -3.28 116.42 118.87 1pqk h ASP 10 Ca 0.05 -0.28 -0.16 0.00 0.02 0.00 0.00 57.03 56.66 1pqk h ASP 10 Cb 0.44 -0.19 -0.03 0.00 0.22 0.00 0.00 39.33 39.78 1pqk h ASP 10 CO 0.01 0.96 -1.61 -0.62 -1.72 0.00 0.00 179.24 176.27 1pqk n GLU 11 N -4.05 0.64 0.00 3.56 -0.58 0.24 -5.06 120.64 115.38 1pqk n GLU 11 Ca -0.01 0.12 0.00 0.00 -0.42 0.00 0.00 57.16 56.84 1pqk n GLU 11 Cb 0.50 -1.72 0.00 0.00 -0.57 0.00 0.00 31.44 29.64 1pqk n GLU 11 CO 0.00 0.00 0.00 0.41 -0.48 0.00 0.00 177.13 177.06 1pqk n GLY 12 N 1.41 -0.93 3.00 0.62 0.00 0.37 -4.44 105.19 105.23 1pqk n GLY 12 Ca -0.11 -1.19 -0.13 0.00 0.00 0.00 0.00 46.02 44.59 1pqk n GLY 12 CO 0.00 0.00 0.00 -2.27 0.00 0.00 0.00 173.32 171.05 1pqk s LEU 13 N 0.00 -0.38 -0.07 0.99 2.96 -1.26 -4.19 118.68 116.73 1pqk s LEU 13 Ca 0.00 0.50 0.03 0.00 -0.22 0.00 0.00 54.13 54.45 1pqk s LEU 13 Cb 0.00 0.83 0.00 0.00 0.50 0.00 0.00 46.19 47.52 1pqk s LEU 13 CO 0.00 -0.26 -0.17 -0.13 -1.32 0.00 0.00 176.35 174.47 1pqk s ARG 14 N 2.46 2.14 0.00 1.98 1.81 0.21 -4.98 118.95 122.56 1pqk s ARG 14 Ca 0.03 -0.61 0.27 0.00 -1.72 0.00 0.00 55.73 53.69 1pqk s ARG 14 Cb -0.13 -1.72 0.80 0.00 -0.45 0.00 0.00 34.95 33.45 1pqk s ARG 14 CO -0.11 0.14 1.60 1.28 -0.68 0.00 0.00 175.30 177.53 1pqk n LEU 15 N 3.53 0.94 -4.39 2.53 4.77 -1.26 0.69 117.00 123.81 1pqk n LEU 15 Ca -0.20 -0.22 -0.22 0.00 -0.03 0.00 0.00 56.01 55.34 1pqk n LEU 15 Cb 0.52 -0.14 -0.11 0.00 -2.33 0.00 0.00 43.42 41.37 1pqk n LEU 15 CO 0.26 0.18 -0.48 -0.54 -1.33 0.00 0.00 177.39 175.48 1pqk s LYS 16 N -2.52 1.45 0.48 3.23 1.02 -1.26 -1.80 119.74 120.34 1pqk s LYS 16 Ca 0.24 -1.59 -0.24 0.00 0.02 0.00 0.00 55.97 54.40 1pqk s LYS 16 Cb 0.19 -1.48 -0.07 0.00 -0.52 0.00 0.00 37.83 35.95 1pqk s LYS 16 CO 0.52 0.28 1.42 0.42 -0.92 0.00 0.00 175.35 177.08 1pqk s ILE 17 N -2.41 2.02 0.33 2.17 1.01 -1.18 -4.56 121.20 118.57 1pqk s ILE 17 Ca 0.23 0.01 -0.05 0.00 0.00 0.00 0.00 60.65 60.85 1pqk s ILE 17 Cb -0.04 -3.01 0.00 0.00 0.01 0.00 0.00 42.46 39.42 1pqk s ILE 17 CO 0.10 0.00 0.48 -0.72 0.00 0.00 0.00 174.94 174.80 1pqk s TYR 18 N -1.22 0.92 -0.00 3.97 -0.85 0.12 -4.95 117.35 115.34 1pqk s TYR 18 Ca 0.64 -1.19 0.03 0.00 -0.52 0.00 0.00 57.07 56.03 1pqk s TYR 18 Cb -0.44 -0.01 -0.03 0.00 0.38 0.00 0.00 41.96 41.86 1pqk s TYR 18 CO 0.55 -1.12 -0.08 0.15 -1.52 0.00 0.00 175.55 173.53 1pqk s LYS 19 N -3.18 2.53 0.40 -3.49 1.02 -1.25 0.14 119.74 115.89 1pqk s LYS 19 Ca 0.29 -0.73 -0.03 0.00 0.02 0.00 0.00 55.97 55.52 1pqk s LYS 19 Cb -0.00 -2.48 0.09 0.00 -0.52 0.00 0.00 37.83 34.91 1pqk s LYS 19 CO 0.18 0.60 0.54 -0.40 -0.92 0.00 0.00 175.35 175.36 1pqk n ASP 20 N 1.64 0.40 -0.13 2.83 5.68 0.11 -4.84 116.55 122.24 1pqk n ASP 20 Ca -0.16 -1.42 0.05 0.00 -0.50 0.00 0.00 54.79 52.76 1pqk n ASP 20 Cb 0.52 -0.38 0.36 0.00 -1.14 0.00 0.00 41.12 40.48 1pqk n ASP 20 CO 0.00 0.00 0.00 0.71 -1.33 0.00 0.00 177.20 176.58 1pqk h THR 21 N -0.85 1.07 -0.00 2.12 1.35 -1.98 0.74 112.91 115.36 1pqk h THR 21 Ca -0.18 -0.25 0.00 0.00 -0.55 0.00 0.00 66.41 65.43 1pqk h THR 21 Cb 0.58 0.28 0.00 0.00 -1.73 0.00 0.00 68.15 67.28 1pqk h THR 21 CO 0.16 0.13 -0.00 -0.62 -0.25 0.00 0.00 175.52 174.94 1pqk n GLU 22 N -4.46 0.93 -0.28 4.72 1.02 -1.26 -4.88 120.64 116.42 1pqk n GLU 22 Ca 0.08 -0.01 0.00 0.00 -0.02 0.00 0.00 57.16 57.21 1pqk n GLU 22 Cb 0.14 -1.50 0.00 0.00 -0.02 0.00 0.00 31.44 30.06 1pqk n GLU 22 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 1pqk n GLY 23 N 1.04 0.85 3.78 0.62 0.00 0.25 -5.06 105.19 106.67 1pqk n GLY 23 Ca 0.23 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 45.86 1pqk n GLY 23 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 1pqk s TYR 24 N -2.02 3.85 0.11 1.61 4.12 -1.26 -4.64 117.35 119.12 1pqk s TYR 24 Ca 0.00 1.70 -0.31 0.00 0.02 0.00 0.00 57.07 58.48 1pqk s TYR 24 Cb 0.00 -2.83 -0.09 0.00 -1.52 0.00 0.00 41.96 37.53 1pqk s TYR 24 CO 0.00 0.42 1.57 0.71 0.02 0.00 0.00 175.55 178.27 1pqk s TYR 25 N -1.30 2.81 0.21 2.71 4.12 -1.26 0.05 117.35 124.69 1pqk s TYR 25 Ca 0.41 0.56 -0.02 0.00 0.02 0.00 0.00 57.07 58.04 1pqk s TYR 25 Cb -0.22 -3.89 -0.04 0.00 -1.52 0.00 0.00 41.96 36.29 1pqk s TYR 25 CO 0.26 -3.40 0.17 0.99 0.02 0.00 0.00 175.55 173.59 1pqk s THR 26 N 1.83 0.00 0.20 -0.71 2.01 0.36 -0.89 115.64 118.44 1pqk s THR 26 Ca 0.70 -1.94 -0.22 0.00 0.31 0.00 0.00 61.69 60.54 1pqk s THR 26 Cb -0.40 -2.47 0.05 0.00 0.01 0.00 0.00 72.50 69.69 1pqk s THR 26 CO 0.31 0.00 0.63 -0.51 -0.69 0.00 0.00 174.62 174.37 1pqk s ILE 27 N -4.11 0.00 0.00 1.82 2.07 -0.66 -0.71 121.20 119.61 1pqk s ILE 27 Ca 0.37 -0.33 0.00 0.00 -1.41 0.00 0.00 60.65 59.29 1pqk s ILE 27 Cb 0.06 -1.32 0.00 0.00 0.13 0.00 0.00 42.46 41.33 1pqk s ILE 27 CO 0.12 -0.00 0.00 0.61 -1.91 0.00 0.00 174.94 173.76 1pqk n GLY 28 N -0.40 2.53 2.89 1.50 0.00 0.22 -0.74 105.19 111.19 1pqk n GLY 28 Ca -0.13 -0.29 -0.41 0.00 0.00 0.00 0.00 46.02 45.19 1pqk n GLY 28 CO 0.00 0.00 0.00 1.39 0.00 0.00 0.00 173.32 174.71 1pqk n ILE 29 N 0.00 5.11 -2.78 -0.61 5.41 -1.26 -0.62 119.36 124.61 1pqk n ILE 29 Ca 0.00 -5.87 -0.16 0.00 1.00 0.00 0.00 62.75 57.72 1pqk n ILE 29 Cb 0.00 -2.00 0.02 0.00 -0.71 0.00 0.00 39.64 36.96 1pqk n ILE 29 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 176.55 177.16 1pqk n GLY 30 N 1.06 -0.18 3.52 7.39 0.00 -1.24 -4.86 105.19 110.88 1pqk n GLY 30 Ca 0.29 -0.14 -0.43 0.00 0.00 0.00 0.00 46.02 45.74 1pqk n GLY 30 CO 0.00 0.00 0.00 -1.58 0.00 0.00 0.00 173.32 171.74 1pqk s HIS 31 N -2.98 2.75 0.08 1.61 5.04 0.09 -4.90 115.29 116.97 1pqk s HIS 31 Ca 0.21 -0.04 -0.31 0.00 -1.54 0.00 0.00 55.06 53.38 1pqk s HIS 31 Cb -0.09 -4.15 -0.08 0.00 0.04 0.00 0.00 32.58 28.30 1pqk s HIS 31 CO 0.26 -1.43 1.49 -1.17 -2.34 0.00 0.00 174.74 171.55 1pqk s LEU 32 N 4.10 4.35 -0.08 8.88 2.96 -1.26 -1.66 118.68 135.98 1pqk s LEU 32 Ca 0.31 2.36 -0.20 0.00 -0.22 0.00 0.00 54.13 56.38 1pqk s LEU 32 Cb -0.12 -3.57 -0.29 0.00 0.50 0.00 0.00 46.19 42.70 1pqk s LEU 32 CO 0.19 -0.76 0.73 -0.07 -1.32 0.00 0.00 176.35 175.12 1pqk h LEU 33 N 7.66 0.41 -7.01 -0.68 3.38 -1.36 -3.48 115.31 114.23 1pqk h LEU 33 Ca -0.41 -0.90 0.14 0.00 0.09 0.00 0.00 57.88 56.79 1pqk h LEU 33 Cb 1.20 -0.13 -0.16 0.00 0.09 0.00 0.00 40.66 41.66 1pqk h LEU 33 CO 0.90 1.48 0.55 0.28 0.09 0.00 0.00 178.44 181.74 1pqk s THR 34 N -2.44 0.00 -2.57 0.22 -1.32 -1.25 -4.88 115.64 103.40 1pqk s THR 34 Ca -0.17 -0.01 0.26 0.00 -1.21 0.00 0.00 61.69 60.56 1pqk s THR 34 Cb 0.02 -1.02 0.30 0.00 -1.51 0.00 0.00 72.50 70.30 1pqk s THR 34 CO 0.79 0.00 1.45 0.29 -2.21 0.00 0.00 174.62 174.94 1pqk n LYS 35 N -0.22 1.79 -2.39 7.08 5.02 -1.26 -4.24 118.16 123.94 1pqk n LYS 35 Ca -0.07 -1.31 -0.41 0.00 -2.02 0.00 0.00 58.31 54.50 1pqk n LYS 35 Cb 0.61 -1.47 -0.04 0.00 -0.02 0.00 0.00 35.03 34.11 1pqk n LYS 35 CO 0.00 0.00 0.00 0.45 -0.52 0.00 0.00 177.40 177.33 1pqk s SER 36 N -2.11 7.14 0.00 4.39 0.15 -1.26 -4.87 113.70 117.13 1pqk s SER 36 Ca 0.30 2.30 0.06 0.00 0.70 0.00 0.00 55.95 59.31 1pqk s SER 36 Cb 0.20 -2.62 0.33 0.00 -1.71 0.00 0.00 66.02 62.22 1pqk s SER 36 CO 0.37 -0.28 1.01 -2.65 1.20 0.00 0.00 173.24 172.89 1pqk n PRO 37 N 1.69 0.77 -3.32 5.44 -0.02 -1.26 -4.72 135.00 133.59 1pqk n PRO 37 Ca 0.01 0.00 -0.39 0.00 -2.02 0.00 0.00 63.50 61.10 1pqk n PRO 37 Cb 0.44 -1.11 -0.08 0.00 -0.02 0.00 0.00 33.50 32.73 1pqk n PRO 37 CO 0.00 0.00 0.00 0.45 1.98 0.00 0.00 175.50 177.93 1pqk s SER 38 N -1.40 6.37 0.28 2.55 0.15 -1.26 -4.95 113.70 115.44 1pqk s SER 38 Ca 0.08 0.44 -0.03 0.00 0.70 0.00 0.00 55.95 57.14 1pqk s SER 38 Cb 0.04 -2.25 0.37 0.00 -1.71 0.00 0.00 66.02 62.48 1pqk s SER 38 CO 0.06 -0.21 1.89 0.25 1.20 0.00 0.00 173.24 176.44 1pqk h LEU 39 N 8.51 0.94 -0.09 3.45 5.85 -1.99 0.11 115.31 132.09 1pqk h LEU 39 Ca -0.31 -0.08 -0.00 0.00 0.84 0.00 0.00 57.88 58.32 1pqk h LEU 39 Cb 1.15 -0.24 -0.00 0.00 0.37 0.00 0.00 40.66 41.94 1pqk h LEU 39 CO 0.69 0.77 0.06 0.78 -0.34 0.00 0.00 178.44 180.39 1pqk h ASN 40 N 1.05 0.11 -0.96 1.25 2.35 -1.97 0.19 115.58 117.60 1pqk h ASN 40 Ca 0.26 -0.05 0.13 0.00 -0.55 0.00 0.00 56.30 56.10 1pqk h ASN 40 Cb 0.05 -0.03 -0.09 0.00 0.05 0.00 0.00 38.32 38.30 1pqk h ASN 40 CO -0.04 0.12 0.58 0.00 -1.65 0.00 0.00 177.43 176.44 1pqk h ALA 41 N 0.99 1.46 -0.40 -0.83 0.00 -1.55 -1.16 119.26 117.77 1pqk h ALA 41 Ca 0.03 0.04 -0.01 0.00 0.00 0.00 0.00 54.91 54.97 1pqk h ALA 41 Cb 0.03 -0.15 -0.02 0.00 0.00 0.00 0.00 17.79 17.65 1pqk h ALA 41 CO -0.01 0.12 0.21 0.00 0.00 0.00 0.00 179.25 179.58 1pqk h ALA 42 N 1.55 0.51 -0.77 0.00 0.00 0.14 -0.91 119.26 119.77 1pqk h ALA 42 Ca 0.49 -0.09 0.02 0.00 0.00 0.00 0.00 54.91 55.34 1pqk h ALA 42 Cb 0.56 -0.16 -0.04 0.00 0.00 0.00 0.00 17.79 18.15 1pqk h ALA 42 CO -0.29 0.04 0.50 0.87 0.00 0.00 0.00 179.25 180.37 1pqk h LYS 43 N 0.51 0.97 -0.66 0.00 1.57 -0.02 0.29 116.57 119.23 1pqk h LYS 43 Ca 0.14 -0.06 -0.04 0.00 -1.87 0.00 0.00 60.65 58.82 1pqk h LYS 43 Cb 0.07 -0.22 -0.03 0.00 0.08 0.00 0.00 32.23 32.13 1pqk h LYS 43 CO -0.02 0.64 0.27 0.77 -0.57 0.00 0.00 179.45 180.54 1pqk h SER 44 N 1.00 0.90 -0.19 0.86 0.02 -1.07 -1.01 113.55 114.06 1pqk h SER 44 Ca 0.30 -0.17 -0.09 0.00 -0.84 0.00 0.00 61.79 61.00 1pqk h SER 44 Cb -0.05 -0.23 -0.02 0.00 0.14 0.00 0.00 62.40 62.24 1pqk h SER 44 CO -0.09 0.82 -0.15 -0.33 -1.14 0.00 0.00 176.83 175.94 1pqk h GLU 45 N 0.92 0.59 -0.03 3.45 4.39 -0.28 -2.28 114.58 121.34 1pqk h GLU 45 Ca 0.22 -0.19 -0.00 0.00 0.34 0.00 0.00 59.36 59.73 1pqk h GLU 45 Cb 0.19 -0.05 -0.00 0.00 -0.10 0.00 0.00 28.75 28.79 1pqk h GLU 45 CO -0.02 0.72 0.01 1.25 -1.16 0.00 0.00 179.01 179.82 1pqk h LEU 46 N 0.54 0.05 -1.66 1.33 5.85 0.12 0.43 115.31 121.95 1pqk h LEU 46 Ca 0.09 -0.16 -0.02 0.00 0.84 0.00 0.00 57.88 58.64 1pqk h LEU 46 Cb 0.57 -0.01 -0.01 0.00 0.37 0.00 0.00 40.66 41.58 1pqk h LEU 46 CO 0.04 0.19 0.04 0.44 -0.34 0.00 0.00 178.44 178.81 1pqk h ASP 47 N -0.10 0.23 0.10 1.25 3.32 -1.11 0.17 116.42 120.27 1pqk h ASP 47 Ca 0.01 -0.02 -0.19 0.00 0.02 0.00 0.00 57.03 56.85 1pqk h ASP 47 Cb 0.16 -0.06 -0.00 0.00 0.22 0.00 0.00 39.33 39.65 1pqk h ASP 47 CO -0.00 0.24 -0.71 0.50 -1.72 0.00 0.00 179.24 177.55 1pqk h LYS 48 N 0.26 0.54 0.00 3.56 3.64 -1.09 0.74 116.57 124.22 1pqk h LYS 48 Ca 0.06 -0.42 -0.19 0.00 -1.27 0.00 0.00 60.65 58.83 1pqk h LYS 48 Cb 0.11 0.08 -0.03 0.00 -0.41 0.00 0.00 32.23 31.98 1pqk h LYS 48 CO -0.00 1.05 -0.92 0.00 -2.27 0.00 0.00 179.45 177.31 1pqk h ALA 49 N 0.84 0.43 0.00 5.00 0.00 -0.02 -3.28 119.26 122.23 1pqk h ALA 49 Ca -0.03 -0.83 -0.21 0.00 0.00 0.00 0.00 54.91 53.84 1pqk h ALA 49 Cb 1.29 -0.15 -0.04 0.00 0.00 0.00 0.00 17.79 18.90 1pqk h ALA 49 CO 0.13 1.14 -1.46 0.82 0.00 0.00 0.00 179.25 179.88 1pqk h ILE 50 N 0.00 0.65 -3.82 0.00 1.08 -0.65 -3.49 117.51 111.28 1pqk h ILE 50 Ca -0.01 -2.26 -0.21 0.00 -0.39 0.00 0.00 64.86 62.00 1pqk h ILE 50 Cb 1.67 2.19 0.08 0.00 -3.07 0.00 0.00 36.82 37.69 1pqk h ILE 50 CO 0.12 0.37 -0.40 0.61 -0.69 0.00 0.00 178.15 178.16 1pqk n GLY 51 N 1.44 0.07 3.34 5.37 0.00 0.26 -5.04 105.19 110.63 1pqk n GLY 51 Ca -0.11 -0.16 -0.10 0.00 0.00 0.00 0.00 46.02 45.65 1pqk n GLY 51 CO 0.00 0.00 0.00 -1.60 0.00 0.00 0.00 173.32 171.72 1pqk s ARG 52 N -5.39 1.11 -0.99 1.61 3.52 -1.13 -5.05 118.95 112.63 1pqk s ARG 52 Ca 0.21 -0.71 -0.21 0.00 -0.13 0.00 0.00 55.73 54.90 1pqk s ARG 52 Cb -0.09 0.48 0.09 0.00 -1.56 0.00 0.00 34.95 33.87 1pqk s ARG 52 CO 0.41 -0.44 1.30 1.21 -0.81 0.00 0.00 175.30 176.97 1pqk s ASN 53 N -2.81 6.58 0.09 -2.12 2.47 -1.26 -4.54 114.94 113.36 1pqk s ASN 53 Ca 0.03 -1.80 -0.05 0.00 0.42 0.00 0.00 52.86 51.47 1pqk s ASN 53 Cb 0.01 -2.48 -0.24 0.00 -1.45 0.00 0.00 41.25 37.09 1pqk s ASN 53 CO -0.11 -1.27 1.18 0.71 -3.72 0.00 0.00 177.10 173.88 1pqk h THR 54 N 6.25 1.47 -1.36 -5.21 1.35 -1.93 -3.49 112.91 109.99 1pqk h THR 54 Ca 0.19 -2.91 -0.20 0.00 -0.55 0.00 0.00 66.41 62.94 1pqk h THR 54 Cb 1.01 2.83 -0.01 0.00 -1.73 0.00 0.00 68.15 70.24 1pqk h THR 54 CO 1.27 0.85 -0.25 0.59 -0.25 0.00 0.00 175.52 177.73 1pqk n ASN 55 N -3.59 -3.42 0.00 5.36 4.13 -1.26 -2.47 115.26 114.01 1pqk n ASN 55 Ca -0.08 0.01 0.00 0.00 1.68 0.00 0.00 54.58 56.18 1pqk n ASN 55 Cb 0.98 -2.62 0.00 0.00 -1.54 0.00 0.00 39.78 36.60 1pqk n ASN 55 CO 0.00 0.00 0.00 0.61 0.28 0.00 0.00 177.26 178.15 1pqk n GLY 56 N -1.06 0.75 3.01 7.41 0.00 -1.26 -5.02 105.19 109.02 1pqk n GLY 56 Ca -0.12 0.00 -0.22 0.00 0.00 0.00 0.00 46.02 45.69 1pqk n GLY 56 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1pqk s VAL 57 N -3.00 0.90 0.40 1.61 1.01 -1.03 -3.11 120.40 117.18 1pqk s VAL 57 Ca 0.00 -0.40 0.04 0.00 0.00 0.00 0.00 61.98 61.62 1pqk s VAL 57 Cb 0.00 -0.81 -0.05 0.00 0.00 0.00 0.00 36.38 35.52 1pqk s VAL 57 CO 0.00 0.28 0.04 0.27 0.00 0.00 0.00 175.10 175.70 1pqk s ILE 58 N 0.30 1.31 0.44 2.22 -4.36 -0.74 -4.73 121.20 115.64 1pqk s ILE 58 Ca -0.06 -2.00 0.08 0.00 -0.26 0.00 0.00 60.65 58.41 1pqk s ILE 58 Cb -0.11 -2.64 0.01 0.00 1.25 0.00 0.00 42.46 40.98 1pqk s ILE 58 CO 0.01 0.00 0.55 0.42 0.24 0.00 0.00 174.94 176.16 1pqk s THR 59 N -3.02 2.83 0.13 8.37 -4.23 -1.26 -4.82 115.64 113.63 1pqk s THR 59 Ca 0.27 -1.08 -0.19 0.00 -1.18 0.00 0.00 61.69 59.51 1pqk s THR 59 Cb 0.06 -2.90 -0.05 0.00 1.34 0.00 0.00 72.50 70.95 1pqk s THR 59 CO 0.13 0.00 1.74 0.50 -0.54 0.00 0.00 174.62 176.46 1pqk h LYS 60 N 0.67 0.14 -0.95 3.99 3.64 -1.99 0.39 116.57 122.47 1pqk h LYS 60 Ca -0.39 -0.01 0.07 0.00 -1.27 0.00 0.00 60.65 59.05 1pqk h LYS 60 Cb 1.28 -0.03 -0.06 0.00 -0.41 0.00 0.00 32.23 33.00 1pqk h LYS 60 CO 0.47 0.10 0.62 -0.44 -2.27 0.00 0.00 179.45 177.93 1pqk h ASP 61 N 0.15 0.96 -0.43 4.20 3.45 -1.99 -0.05 116.42 122.70 1pqk h ASP 61 Ca 0.09 0.01 -0.00 0.00 0.43 0.00 0.00 57.03 57.56 1pqk h ASP 61 Cb 0.07 -0.19 -0.02 0.00 -0.56 0.00 0.00 39.33 38.63 1pqk h ASP 61 CO -0.11 0.61 0.26 -0.33 -1.57 0.00 0.00 179.24 178.10 1pqk h GLU 62 N 1.08 0.59 -0.96 3.56 5.08 -1.63 -1.28 114.58 121.03 1pqk h GLU 62 Ca 0.42 -0.06 0.04 0.00 -1.00 0.00 0.00 59.36 58.76 1pqk h GLU 62 Cb 0.21 -0.12 -0.06 0.00 0.50 0.00 0.00 28.75 29.29 1pqk h GLU 62 CO -0.17 0.44 0.63 0.00 -1.00 0.00 0.00 179.01 178.91 1pqk h ALA 63 N 1.12 1.28 -0.03 3.43 0.00 0.56 -2.44 119.26 123.18 1pqk h ALA 63 Ca 0.15 -0.04 -0.11 0.00 0.00 0.00 0.00 54.91 54.91 1pqk h ALA 63 Cb 0.01 -0.34 -0.01 0.00 0.00 0.00 0.00 17.79 17.44 1pqk h ALA 63 CO -0.03 0.51 -0.50 0.93 0.00 0.00 0.00 179.25 180.16 1pqk h GLU 64 N 1.21 0.07 -0.38 0.00 5.08 -0.51 -0.25 114.58 119.81 1pqk h GLU 64 Ca 0.38 -0.04 -0.16 0.00 -1.00 0.00 0.00 59.36 58.55 1pqk h GLU 64 Cb 0.01 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 29.25 1pqk h GLU 64 CO -0.12 0.56 -0.37 -0.22 -1.00 0.00 0.00 179.01 177.85 1pqk h LYS 65 N 0.06 0.91 -0.43 2.33 3.11 -0.95 0.17 116.57 121.77 1pqk h LYS 65 Ca -0.00 -0.47 -0.09 0.00 -2.81 0.00 0.00 60.65 57.28 1pqk h LYS 65 Cb 0.90 0.01 -0.01 0.00 -1.00 0.00 0.00 32.23 32.13 1pqk h LYS 65 CO 0.07 1.13 -0.07 -0.07 -2.81 0.00 0.00 179.45 177.70 1pqk h LEU 66 N 0.75 0.81 -0.38 5.20 3.38 -1.14 -2.39 115.31 121.53 1pqk h LEU 66 Ca 0.06 -0.34 0.05 0.00 0.09 0.00 0.00 57.88 57.74 1pqk h LEU 66 Cb 0.96 -0.22 -0.05 0.00 0.09 0.00 0.00 40.66 41.45 1pqk h LEU 66 CO 0.09 0.96 0.11 0.15 0.09 0.00 0.00 178.44 179.84 1pqk h PHE 67 N 0.64 0.19 -0.72 1.13 -0.00 -0.88 0.29 116.94 117.59 1pqk h PHE 67 Ca 0.11 0.02 0.04 0.00 -0.00 0.00 0.00 57.97 58.15 1pqk h PHE 67 Cb 0.59 -0.03 -0.05 0.00 -0.00 0.00 0.00 35.95 36.46 1pqk h PHE 67 CO 0.05 0.06 0.43 -0.91 -0.00 0.00 0.00 178.31 177.94 1pqk h ASN 68 N 0.25 0.69 -0.77 0.41 -0.26 -0.50 0.38 115.58 115.78 1pqk h ASN 68 Ca 0.18 0.01 0.00 0.00 -0.56 0.00 0.00 56.30 55.94 1pqk h ASN 68 Cb 0.18 -0.13 -0.04 0.00 -1.06 0.00 0.00 38.32 37.27 1pqk h ASN 68 CO -0.21 0.46 0.49 1.56 -1.06 0.00 0.00 177.43 178.67 1pqk h GLN 69 N 0.82 1.02 -0.35 0.81 4.20 -0.75 -2.00 115.11 118.87 1pqk h GLN 69 Ca 0.30 -0.07 -0.14 0.00 0.06 0.00 0.00 58.65 58.80 1pqk h GLN 69 Cb 0.10 -0.22 -0.01 0.00 0.30 0.00 0.00 27.48 27.65 1pqk h GLN 69 CO -0.14 0.70 -0.34 -0.44 -0.67 0.00 0.00 178.83 177.93 1pqk h ASP 70 N 1.04 0.83 -0.43 1.46 3.32 0.22 -1.21 116.42 121.65 1pqk h ASP 70 Ca 0.28 -0.35 -0.13 0.00 0.02 0.00 0.00 57.03 56.85 1pqk h ASP 70 Cb -0.09 -0.23 -0.01 0.00 0.22 0.00 0.00 39.33 39.22 1pqk h ASP 70 CO -0.06 1.09 -0.22 0.58 -1.72 0.00 0.00 179.24 178.91 1pqk h VAL 71 N 0.66 1.27 -0.77 -1.35 2.07 -0.80 -0.69 116.25 116.65 1pqk h VAL 71 Ca 0.07 -1.37 0.04 0.00 0.82 0.00 0.00 66.70 66.25 1pqk h VAL 71 Cb 0.89 1.24 -0.05 0.00 -1.52 0.00 0.00 31.29 31.84 1pqk h VAL 71 CO 0.08 0.47 0.48 -0.78 0.02 0.00 0.00 177.57 177.83 1pqk h ASP 72 N 0.74 0.77 -0.66 0.57 1.82 -1.29 0.29 116.42 118.65 1pqk h ASP 72 Ca 0.09 0.01 -0.04 0.00 -0.39 0.00 0.00 57.03 56.70 1pqk h ASP 72 Cb 0.79 -0.16 -0.03 0.00 0.68 0.00 0.00 39.33 40.62 1pqk h ASP 72 CO 0.07 0.51 0.25 0.00 -1.61 0.00 0.00 179.24 178.47 1pqk h ALA 73 N 1.34 0.86 -0.29 -0.78 0.00 -0.96 0.03 119.26 119.47 1pqk h ALA 73 Ca 0.32 -0.18 -0.11 0.00 0.00 0.00 0.00 54.91 54.94 1pqk h ALA 73 Cb 0.08 -0.26 -0.01 0.00 0.00 0.00 0.00 17.79 17.59 1pqk h ALA 73 CO -0.14 0.49 -0.28 0.00 0.00 0.00 0.00 179.25 179.33 1pqk h ALA 74 N 1.11 0.98 -0.31 0.00 0.00 0.07 -0.05 119.26 121.06 1pqk h ALA 74 Ca 0.22 -0.37 -0.03 0.00 0.00 0.00 0.00 54.91 54.72 1pqk h ALA 74 Cb 0.22 -0.13 -0.01 0.00 0.00 0.00 0.00 17.79 17.87 1pqk h ALA 74 CO -0.02 0.60 0.06 0.28 0.00 0.00 0.00 179.25 180.18 1pqk h VAL 75 N 0.50 1.22 -0.74 0.00 2.07 -0.11 -1.56 116.25 117.64 1pqk h VAL 75 Ca 0.07 -0.76 -0.00 0.00 0.82 0.00 0.00 66.70 66.82 1pqk h VAL 75 Cb 0.74 1.14 -0.04 0.00 -1.52 0.00 0.00 31.29 31.61 1pqk h VAL 75 CO 0.06 0.25 0.46 0.03 0.02 0.00 0.00 177.57 178.39 1pqk h ARG 76 N 0.33 0.99 -0.66 1.57 3.08 -0.78 -0.23 114.38 118.68 1pqk h ARG 76 Ca 0.09 -0.08 0.05 0.00 0.07 0.00 0.00 59.98 60.11 1pqk h ARG 76 Cb 0.31 -0.21 -0.05 0.00 0.08 0.00 0.00 29.97 30.10 1pqk h ARG 76 CO 0.00 0.69 0.39 0.00 -1.07 0.00 0.00 179.97 179.98 1pqk h ALA 77 N 1.24 0.88 -0.09 0.04 0.00 -0.79 0.45 119.26 120.99 1pqk h ALA 77 Ca 0.27 0.00 -0.16 0.00 0.00 0.00 0.00 54.91 55.01 1pqk h ALA 77 Cb -0.06 -0.16 -0.01 0.00 0.00 0.00 0.00 17.79 17.57 1pqk h ALA 77 CO -0.05 0.10 -0.64 -0.39 0.00 0.00 0.00 179.25 178.27 1pqk h VAL 78 N 0.74 1.37 0.00 0.00 -1.51 -0.62 -2.33 116.25 113.90 1pqk h VAL 78 Ca 0.28 -2.01 -0.08 0.00 -1.23 0.00 0.00 66.70 63.66 1pqk h VAL 78 Cb 0.12 2.00 -0.01 0.00 -2.13 0.00 0.00 31.29 31.27 1pqk h VAL 78 CO -0.15 0.60 -0.46 -0.07 -1.23 0.00 0.00 177.57 176.26 1pqk h LEU 79 N 0.26 0.00 0.00 4.19 3.38 -0.68 -3.02 115.31 119.43 1pqk h LEU 79 Ca -0.01 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.96 1pqk h LEU 79 Cb 1.18 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.93 1pqk h LEU 79 CO 0.11 0.39 -1.43 0.54 0.09 0.00 0.00 178.44 178.14 1pqk n ARG 80 N -3.17 0.34 -2.57 1.13 1.74 0.15 -4.75 116.66 109.53 1pqk n ARG 80 Ca 0.02 -0.09 -0.43 0.00 -0.77 0.00 0.00 57.85 56.58 1pqk n ARG 80 Cb 0.70 -1.50 -0.02 0.00 -1.02 0.00 0.00 32.46 30.61 1pqk n ARG 80 CO 0.00 0.00 0.00 1.21 -1.52 0.00 0.00 177.63 177.32 1pqk s ASN 81 N -3.64 7.12 0.39 0.55 3.84 -0.88 -4.93 114.94 117.39 1pqk s ASN 81 Ca 0.01 1.62 0.13 0.00 0.21 0.00 0.00 52.86 54.83 1pqk s ASN 81 Cb 0.15 -2.55 0.96 0.00 -0.55 0.00 0.00 41.25 39.25 1pqk s ASN 81 CO 0.88 -0.57 1.89 0.00 -2.79 0.00 0.00 177.10 176.50 1pqk h ALA 82 N 7.41 2.01 0.02 1.71 0.00 -1.91 0.26 119.26 128.76 1pqk h ALA 82 Ca -0.29 0.01 -0.09 0.00 0.00 0.00 0.00 54.91 54.54 1pqk h ALA 82 Cb 1.13 -0.08 0.01 0.00 0.00 0.00 0.00 17.79 18.85 1pqk h ALA 82 CO 0.90 -0.24 -0.36 0.87 0.00 0.00 0.00 179.25 180.42 1pqk h LYS 83 N 0.53 0.20 -0.38 0.00 1.79 -1.95 -3.38 116.57 113.38 1pqk h LYS 83 Ca 0.42 -0.25 -0.13 0.00 -2.18 0.00 0.00 60.65 58.51 1pqk h LYS 83 Cb 0.85 0.08 -0.01 0.00 -1.58 0.00 0.00 32.23 31.57 1pqk h LYS 83 CO -0.17 1.01 -0.28 -0.07 -1.08 0.00 0.00 179.45 178.87 1pqk h LEU 84 N -0.49 0.91 -0.42 2.94 3.38 -1.67 -3.34 115.31 116.62 1pqk h LEU 84 Ca -0.05 -0.44 0.09 0.00 0.09 0.00 0.00 57.88 57.57 1pqk h LEU 84 Cb 1.16 -0.25 -0.09 0.00 0.09 0.00 0.00 40.66 41.57 1pqk h LEU 84 CO 0.07 1.15 -0.21 0.50 0.09 0.00 0.00 178.44 180.05 1pqk h LYS 85 N 0.67 -0.12 -0.61 1.13 3.64 -0.83 0.31 116.57 120.77 1pqk h LYS 85 Ca 0.07 0.01 0.01 0.00 -1.27 0.00 0.00 60.65 59.47 1pqk h LYS 85 Cb 0.85 0.03 -0.03 0.00 -0.41 0.00 0.00 32.23 32.67 1pqk h LYS 85 CO 0.07 -0.08 0.40 -1.35 -2.27 0.00 0.00 179.45 176.23 1pqk h PRO 86 N -0.13 0.78 -0.18 1.90 0.10 -1.77 0.18 132.00 132.88 1pqk h PRO 86 Ca 0.20 -0.05 -0.06 0.00 0.10 0.00 0.00 66.00 66.19 1pqk h PRO 86 Cb 0.44 -0.18 -0.00 0.00 0.10 0.00 0.00 31.00 31.36 1pqk h PRO 86 CO -0.50 0.52 -0.13 0.28 0.10 0.00 0.00 178.00 178.26 1pqk h VAL 87 N 0.80 1.33 -0.31 3.15 2.07 -1.25 -2.35 116.25 119.68 1pqk h VAL 87 Ca 0.23 -1.25 0.07 0.00 0.82 0.00 0.00 66.70 66.56 1pqk h VAL 87 Cb -0.06 1.77 -0.07 0.00 -1.52 0.00 0.00 31.29 31.41 1pqk h VAL 87 CO -0.05 0.37 -0.11 0.22 0.02 0.00 0.00 177.57 178.02 1pqk h TYR 88 N 0.06 -0.26 -1.00 1.57 5.03 -0.42 -0.14 116.97 121.80 1pqk h TYR 88 Ca 0.03 0.03 0.16 0.00 2.58 0.00 0.00 58.73 61.54 1pqk h TYR 88 Cb 0.65 0.17 -0.10 0.00 1.55 0.00 0.00 36.73 39.00 1pqk h TYR 88 CO 0.08 -0.18 0.62 -0.44 -1.32 0.00 0.00 178.16 176.91 1pqk h ASP 89 N -0.05 0.83 1.05 -2.11 3.45 -0.59 -0.95 116.42 118.05 1pqk h ASP 89 Ca 0.16 0.07 0.00 0.00 0.43 0.00 0.00 57.03 57.69 1pqk h ASP 89 Cb 0.29 -0.08 0.00 0.00 -0.56 0.00 0.00 39.33 38.98 1pqk h ASP 89 CO -0.35 0.36 0.00 -1.54 -1.57 0.00 0.00 179.24 176.14 1pqk n SER 90 N -4.69 0.21 -4.89 6.45 3.41 -0.11 -4.89 113.62 109.10 1pqk n SER 90 Ca 0.21 0.52 -0.29 0.00 -0.26 0.00 0.00 58.87 59.05 1pqk n SER 90 Cb 0.49 -0.58 -0.03 0.00 -0.26 0.00 0.00 64.21 63.83 1pqk n SER 90 CO 0.00 0.00 0.00 -0.76 -0.16 0.00 0.00 175.04 174.12 1pqk s LEU 91 N -3.39 3.87 0.87 1.04 1.43 -0.36 -5.02 118.68 117.10 1pqk s LEU 91 Ca 0.12 0.99 -0.12 0.00 -1.03 0.00 0.00 54.13 54.09 1pqk s LEU 91 Cb 0.16 -3.86 0.11 0.00 0.03 0.00 0.00 46.19 42.63 1pqk s LEU 91 CO 0.52 -0.37 1.15 1.51 0.23 0.00 0.00 176.35 179.39 1pqk s ASP 92 N -3.30 3.94 0.41 2.29 1.47 -1.26 -4.81 116.67 115.41 1pqk s ASP 92 Ca 0.49 0.91 0.10 0.00 1.18 0.00 0.00 52.55 55.23 1pqk s ASP 92 Cb -0.10 -1.46 0.91 0.00 -0.34 0.00 0.00 42.92 41.92 1pqk s ASP 92 CO 0.33 -2.27 2.00 0.00 0.68 0.00 0.00 175.17 175.90 1pqk h ALA 93 N -1.31 1.85 0.14 2.11 0.00 -1.98 -0.56 119.26 119.51 1pqk h ALA 93 Ca -0.49 -0.02 -0.01 0.00 0.00 0.00 0.00 54.91 54.40 1pqk h ALA 93 Cb 1.33 -0.14 0.00 0.00 0.00 0.00 0.00 17.79 18.98 1pqk h ALA 93 CO 0.63 0.06 -0.07 0.28 0.00 0.00 0.00 179.25 180.15 1pqk h VAL 94 N 0.54 0.99 0.00 0.00 2.07 -1.93 -2.93 116.25 115.00 1pqk h VAL 94 Ca 0.25 -1.11 -0.02 0.00 0.82 0.00 0.00 66.70 66.64 1pqk h VAL 94 Cb 0.30 1.62 -0.00 0.00 -1.52 0.00 0.00 31.29 31.69 1pqk h VAL 94 CO -0.07 0.24 -0.09 0.03 0.02 0.00 0.00 177.57 177.69 1pqk h ARG 95 N -0.77 0.00 -0.69 1.57 3.08 -1.83 -1.47 114.38 114.27 1pqk h ARG 95 Ca -0.02 0.00 -0.05 0.00 0.07 0.00 0.00 59.98 59.98 1pqk h ARG 95 Cb 0.53 0.00 -0.03 0.00 0.08 0.00 0.00 29.97 30.55 1pqk h ARG 95 CO 0.03 0.09 0.25 0.00 -1.07 0.00 0.00 179.97 179.27 1pqk h ARG 96 N 0.00 1.05 -0.48 0.04 3.08 -1.06 -1.77 114.38 115.24 1pqk h ARG 96 Ca -0.00 -0.21 -0.02 0.00 0.07 0.00 0.00 59.98 59.83 1pqk h ARG 96 Cb 0.28 -0.16 -0.02 0.00 0.08 0.00 0.00 29.97 30.15 1pqk h ARG 96 CO 0.01 0.89 0.23 0.00 -1.07 0.00 0.00 179.97 180.03 1pqk h ALA 97 N 1.11 0.62 -0.38 0.04 0.00 -1.08 -1.14 119.26 118.43 1pqk h ALA 97 Ca 0.23 -0.12 0.08 0.00 0.00 0.00 0.00 54.91 55.10 1pqk h ALA 97 Cb 0.25 -0.19 -0.07 0.00 0.00 0.00 0.00 17.79 17.78 1pqk h ALA 97 CO -0.01 0.18 -0.11 0.00 0.00 0.00 0.00 179.25 179.31 1pqk h ALA 98 N 1.08 0.23 -0.56 0.00 0.00 -1.21 0.97 119.26 119.77 1pqk h ALA 98 Ca 0.17 0.15 0.00 0.00 0.00 0.00 0.00 54.91 55.22 1pqk h ALA 98 Cb 0.11 0.31 -0.03 0.00 0.00 0.00 0.00 17.79 18.18 1pqk h ALA 98 CO -0.02 -0.47 0.36 1.25 0.00 0.00 0.00 179.25 180.37 1pqk h LEU 99 N -0.02 0.66 -0.69 0.00 5.85 -1.07 -0.47 115.31 119.57 1pqk h LEU 99 Ca 0.18 -0.04 -0.04 0.00 0.84 0.00 0.00 57.88 58.83 1pqk h LEU 99 Cb 0.30 -0.16 -0.03 0.00 0.37 0.00 0.00 40.66 41.13 1pqk h LEU 99 CO -0.40 0.50 0.27 0.40 -0.34 0.00 0.00 178.44 178.87 1pqk h ILE 100 N 0.76 1.24 -0.37 4.05 2.04 -0.35 -2.09 117.51 122.80 1pqk h ILE 100 Ca 0.20 -0.78 0.07 0.00 1.00 0.00 0.00 64.86 65.36 1pqk h ILE 100 Cb -0.06 0.47 -0.07 0.00 -0.74 0.00 0.00 36.82 36.42 1pqk h ILE 100 CO -0.04 0.31 -0.05 -1.13 0.00 0.00 0.00 178.15 177.23 1pqk h ASN 101 N 0.98 -0.26 -0.86 1.72 -0.73 0.18 0.39 115.58 117.00 1pqk h ASN 101 Ca 0.23 0.10 0.00 0.00 1.87 0.00 0.00 56.30 58.50 1pqk h ASN 101 Cb 0.22 0.20 -0.04 0.00 0.27 0.00 0.00 38.32 38.96 1pqk h ASN 101 CO -0.02 -0.09 0.55 0.24 -0.37 0.00 0.00 177.43 177.75 1pqk h MET 102 N 0.04 1.14 -0.72 6.67 2.86 -0.61 -1.61 114.93 122.70 1pqk h MET 102 Ca 0.18 -0.08 -0.05 0.00 -2.06 0.00 0.00 59.70 57.69 1pqk h MET 102 Cb 0.27 -0.25 -0.03 0.00 0.06 0.00 0.00 31.60 31.64 1pqk h MET 102 CO -0.35 0.77 0.25 0.28 1.06 0.00 0.00 176.91 178.93 1pqk h VAL 103 N 1.17 1.25 -0.29 -2.22 2.07 -0.70 0.33 116.25 117.86 1pqk h VAL 103 Ca 0.31 -0.84 0.01 0.00 0.82 0.00 0.00 66.70 67.01 1pqk h VAL 103 Cb -0.11 0.42 -0.02 0.00 -1.52 0.00 0.00 31.29 30.07 1pqk h VAL 103 CO -0.06 0.33 0.17 0.15 0.02 0.00 0.00 177.57 178.18 1pqk h PHE 104 N 1.06 0.33 -0.18 1.57 3.04 -0.62 0.76 116.94 122.90 1pqk h PHE 104 Ca 0.24 0.01 -0.04 0.00 3.98 0.00 0.00 57.97 62.16 1pqk h PHE 104 Cb 0.25 -0.11 -0.01 0.00 2.56 0.00 0.00 35.95 38.65 1pqk h PHE 104 CO 0.02 0.20 -0.05 0.37 -2.02 0.00 0.00 178.31 176.83 1pqk h GLN 105 N 0.36 0.35 0.00 1.11 4.15 -0.77 -3.39 115.11 116.92 1pqk h GLN 105 Ca 0.11 -0.14 0.00 0.00 0.77 0.00 0.00 58.65 59.40 1pqk h GLN 105 Cb -0.01 -0.02 0.00 0.00 0.21 0.00 0.00 27.48 27.66 1pqk h GLN 105 CO -0.05 0.62 0.00 0.00 -1.93 0.00 0.00 178.83 177.47 1pqk n MET 106 N -4.65 1.92 0.00 1.69 0.00 0.11 -5.10 117.12 111.09 1pqk n MET 106 Ca -0.05 -1.14 0.00 0.00 0.00 0.00 0.00 57.70 56.51 1pqk n MET 106 Cb 0.27 -0.84 0.00 0.00 0.00 0.00 0.00 33.22 32.65 1pqk n MET 106 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 175.97 176.38 1pqk n GLY 107 N -0.33 -2.02 0.29 3.17 0.00 0.26 -4.02 105.19 102.55 1pqk n GLY 107 Ca 0.00 -1.43 0.03 0.00 0.00 0.00 0.00 46.02 44.62 1pqk n GLY 107 CO 0.00 0.00 0.00 1.05 0.00 0.00 0.00 173.32 174.37 1pqk h GLU 108 N 0.00 0.51 -0.31 1.61 4.11 -1.92 -2.21 114.58 116.36 1pqk h GLU 108 Ca 0.00 -0.06 -0.06 0.00 0.07 0.00 0.00 59.36 59.32 1pqk h GLU 108 Cb 0.00 -0.10 -0.01 0.00 0.50 0.00 0.00 28.75 29.14 1pqk h GLU 108 CO 0.00 0.41 -0.03 1.15 0.07 0.00 0.00 179.01 180.60 1pqk h THR 109 N 0.51 1.27 -0.09 -1.06 2.02 -1.96 0.63 112.91 114.22 1pqk h THR 109 Ca 0.13 -1.03 0.02 0.00 0.77 0.00 0.00 66.41 66.29 1pqk h THR 109 Cb 0.08 1.32 -0.02 0.00 -1.74 0.00 0.00 68.15 67.79 1pqk h THR 109 CO -0.02 0.33 -0.01 1.23 0.37 0.00 0.00 175.52 177.43 1pqk h GLY 110 N 0.36 0.07 0.98 2.16 0.00 -1.57 -1.16 103.07 103.90 1pqk h GLY 110 Ca 0.08 0.02 0.01 0.00 0.00 0.00 0.00 47.33 47.45 1pqk h GLY 110 CO 0.02 -0.02 0.56 -2.08 0.00 0.00 0.00 176.54 175.02 1pqk h VAL 111 N 0.01 1.20 0.00 4.60 2.07 -1.28 -0.55 116.25 122.31 1pqk h VAL 111 Ca 0.04 -0.39 -0.02 0.00 0.82 0.00 0.00 66.70 67.15 1pqk h VAL 111 Cb 0.06 -0.03 -0.00 0.00 -1.52 0.00 0.00 31.29 29.79 1pqk h VAL 111 CO -0.08 0.21 -0.09 0.00 0.02 0.00 0.00 177.57 177.63 1pqk h ALA 112 N 1.32 1.56 0.00 1.67 0.00 -0.31 -0.98 119.26 122.53 1pqk h ALA 112 Ca 0.32 -0.08 -0.01 0.00 0.00 0.00 0.00 54.91 55.14 1pqk h ALA 112 Cb -0.10 -0.01 -0.00 0.00 0.00 0.00 0.00 17.79 17.67 1pqk h ALA 112 CO -0.08 0.11 -0.02 0.78 0.00 0.00 0.00 179.25 180.04 1pqk h GLY 113 N 0.41 0.00 -4.33 0.00 0.00 0.14 -3.22 103.07 96.06 1pqk h GLY 113 Ca -0.00 0.00 -0.32 0.00 0.00 0.00 0.00 47.33 47.01 1pqk h GLY 113 CO 0.01 0.00 0.83 0.69 0.00 0.00 0.00 176.54 178.07 1pqk n PHE 114 N -3.26 0.67 -0.09 5.60 3.72 -0.37 -4.76 117.46 118.97 1pqk n PHE 114 Ca -0.02 -1.89 -0.02 0.00 -0.05 0.00 0.00 57.45 55.47 1pqk n PHE 114 Cb 0.16 -1.80 -0.02 0.00 -0.94 0.00 0.00 39.48 36.88 1pqk n PHE 114 CO 0.00 0.00 0.00 2.41 -0.05 0.00 0.00 176.76 179.12 1pqk n THR 115 N 2.84 -0.14 -0.05 4.37 -1.04 -1.22 -0.74 114.28 118.30 1pqk n THR 115 Ca 0.51 1.05 -0.12 0.00 -2.04 0.00 0.00 64.05 63.45 1pqk n THR 115 Cb 0.69 -1.36 -0.07 0.00 -1.82 0.00 0.00 70.33 67.78 1pqk n THR 115 CO 0.00 0.00 0.00 0.78 -0.64 0.00 0.00 175.07 175.21 1pqk h ASN 116 N 0.00 0.27 -0.95 8.00 2.35 -1.93 -2.34 115.58 120.99 1pqk h ASN 116 Ca 0.03 -0.36 0.13 0.00 -0.55 0.00 0.00 56.30 55.55 1pqk h ASN 116 Cb 0.09 -0.07 -0.09 0.00 0.05 0.00 0.00 38.32 38.29 1pqk h ASN 116 CO -0.20 0.57 0.57 0.28 -1.65 0.00 0.00 177.43 177.01 1pqk h SER 117 N -0.03 0.80 0.42 5.81 0.02 -1.68 0.12 113.55 119.01 1pqk h SER 117 Ca 0.04 0.06 -0.11 0.00 -0.84 0.00 0.00 61.79 60.93 1pqk h SER 117 Cb 0.45 -0.09 -0.01 0.00 0.14 0.00 0.00 62.40 62.89 1pqk h SER 117 CO 0.01 0.40 -0.50 0.16 -1.14 0.00 0.00 176.83 175.76 1pqk h ILE 118 N 0.87 1.36 0.03 3.27 3.07 -0.84 0.58 117.51 125.85 1pqk h ILE 118 Ca 0.49 -1.73 -0.00 0.00 1.55 0.00 0.00 64.86 65.16 1pqk h ILE 118 Cb 0.55 1.89 0.00 0.00 -0.27 0.00 0.00 36.82 38.99 1pqk h ILE 118 CO -0.29 0.50 -0.01 -0.09 -1.05 0.00 0.00 178.15 177.21 1pqk h ARG 119 N 0.08 -0.04 -0.67 0.16 2.43 -0.42 -1.15 114.38 114.77 1pqk h ARG 119 Ca 0.00 0.00 -0.02 0.00 -0.81 0.00 0.00 59.98 59.15 1pqk h ARG 119 Cb 0.92 0.01 -0.03 0.00 -0.42 0.00 0.00 29.97 30.44 1pqk h ARG 119 CO 0.07 0.10 0.32 1.88 -1.51 0.00 0.00 179.97 180.84 1pqk h TYR 120 N -0.17 0.95 0.08 2.20 0.99 -0.58 -1.84 116.97 118.59 1pqk h TYR 120 Ca -0.00 -0.03 0.01 0.00 2.00 0.00 0.00 58.73 60.70 1pqk h TYR 120 Cb 0.16 -0.30 -0.01 0.00 1.00 0.00 0.00 36.73 37.58 1pqk h TYR 120 CO -0.03 0.69 -0.09 -0.07 -0.00 0.00 0.00 178.16 178.66 1pqk h LEU 121 N 0.95 -0.25 -2.00 3.88 3.38 -0.57 0.83 115.31 121.53 1pqk h LEU 121 Ca 0.23 0.03 0.14 0.00 0.09 0.00 0.00 57.88 58.37 1pqk h LEU 121 Cb 0.10 0.09 -0.02 0.00 0.09 0.00 0.00 40.66 40.92 1pqk h LEU 121 CO -0.03 -0.14 0.34 1.56 0.09 0.00 0.00 178.44 180.25 1pqk h GLN 122 N -0.20 0.00 -0.66 1.13 1.08 -0.69 0.15 115.11 115.92 1pqk h GLN 122 Ca 0.01 -0.00 0.00 0.00 -1.45 0.00 0.00 58.65 57.21 1pqk h GLN 122 Cb 0.20 -0.00 0.00 0.00 -0.05 0.00 0.00 27.48 27.63 1pqk h GLN 122 CO -0.04 0.00 0.00 1.04 -0.95 0.00 0.00 178.83 178.88 1pqk n GLN 123 N -4.40 3.77 -2.13 1.46 6.02 -0.74 -4.94 117.38 116.42 1pqk n GLN 123 Ca 0.08 -2.91 -0.18 0.00 -0.01 0.00 0.00 57.00 53.98 1pqk n GLN 123 Cb 0.54 -1.90 -0.03 0.00 1.02 0.00 0.00 30.24 29.87 1pqk n GLN 123 CO 0.00 0.00 0.00 1.63 -1.01 0.00 0.00 177.06 177.68 1pqk n LYS 124 N 1.14 -1.72 -2.46 -1.09 5.02 0.52 -4.84 118.16 114.73 1pqk n LYS 124 Ca 0.26 0.94 -0.42 0.00 -2.02 0.00 0.00 58.31 57.06 1pqk n LYS 124 Cb 0.90 -5.48 0.01 0.00 -0.02 0.00 0.00 35.03 30.43 1pqk n LYS 124 CO 0.00 0.00 0.00 0.54 -0.52 0.00 0.00 177.40 177.42 1pqk n ARG 125 N -2.71 3.94 -0.11 1.97 1.74 0.27 -4.85 116.66 116.92 1pqk n ARG 125 Ca -0.20 -3.78 -0.10 0.00 -0.77 0.00 0.00 57.85 53.00 1pqk n ARG 125 Cb 0.64 -2.80 -0.04 0.00 -1.02 0.00 0.00 32.46 29.24 1pqk n ARG 125 CO 0.00 0.00 0.00 -1.49 -1.52 0.00 0.00 177.63 174.62 1pqk h TRP 126 N 5.54 -1.19 -0.66 -1.55 4.06 -1.89 -0.49 115.95 119.78 1pqk h TRP 126 Ca 0.38 0.06 -0.06 0.00 2.06 0.00 0.00 58.89 61.33 1pqk h TRP 126 Cb 0.59 0.57 -0.03 0.00 -1.00 0.00 0.00 29.16 29.30 1pqk h TRP 126 CO 1.23 -0.44 0.16 -0.44 -3.56 0.00 0.00 178.44 175.39 1pqk h ASP 127 N -0.33 0.99 -0.86 -3.49 3.32 -1.90 -0.39 116.42 113.76 1pqk h ASP 127 Ca 0.14 -0.20 -0.02 0.00 0.02 0.00 0.00 57.03 56.96 1pqk h ASP 127 Cb 0.58 -0.26 -0.04 0.00 0.22 0.00 0.00 39.33 39.83 1pqk h ASP 127 CO -0.55 0.95 0.44 -0.08 -1.72 0.00 0.00 179.24 178.29 1pqk h GLU 128 N 1.00 1.21 0.23 3.56 4.81 -1.89 -0.85 114.58 122.64 1pqk h GLU 128 Ca 0.21 -0.16 -0.01 0.00 -0.13 0.00 0.00 59.36 59.27 1pqk h GLU 128 Cb 0.35 -0.23 0.00 0.00 0.63 0.00 0.00 28.75 29.50 1pqk h GLU 128 CO 0.00 0.91 -0.11 0.00 -0.73 0.00 0.00 179.01 179.08 1pqk h ALA 129 N 1.24 -0.30 -0.82 2.92 0.00 -0.62 -2.00 119.26 119.68 1pqk h ALA 129 Ca 0.30 -0.07 0.13 0.00 0.00 0.00 0.00 54.91 55.27 1pqk h ALA 129 Cb 0.07 0.12 -0.09 0.00 0.00 0.00 0.00 17.79 17.89 1pqk h ALA 129 CO -0.04 -0.66 0.41 0.00 0.00 0.00 0.00 179.25 178.96 1pqk h ALA 130 N 0.46 1.20 -0.38 0.00 0.00 -0.79 0.34 119.26 120.09 1pqk h ALA 130 Ca -0.03 0.08 -0.13 0.00 0.00 0.00 0.00 54.91 54.83 1pqk h ALA 130 Cb 0.24 -0.02 -0.01 0.00 0.00 0.00 0.00 17.79 18.00 1pqk h ALA 130 CO 0.05 -0.08 -0.27 0.28 0.00 0.00 0.00 179.25 179.23 1pqk h VAL 131 N 0.62 1.28 -0.03 0.00 2.07 -1.06 -1.44 116.25 117.68 1pqk h VAL 131 Ca 0.44 -1.41 -0.19 0.00 0.82 0.00 0.00 66.70 66.36 1pqk h VAL 131 Cb 0.58 1.28 -0.01 0.00 -1.52 0.00 0.00 31.29 31.62 1pqk h VAL 131 CO -0.34 0.47 -0.80 0.78 0.02 0.00 0.00 177.57 177.70 1pqk h ASN 132 N 0.68 0.31 -0.34 0.57 2.35 -0.15 -2.93 115.58 116.08 1pqk h ASN 132 Ca 0.08 -0.23 -0.07 0.00 -0.55 0.00 0.00 56.30 55.53 1pqk h ASN 132 Cb 0.81 -0.09 -0.02 0.00 0.05 0.00 0.00 38.32 39.06 1pqk h ASN 132 CO 0.07 0.98 -0.03 -0.26 -1.65 0.00 0.00 177.43 176.54 1pqk h PHE 133 N 0.16 0.77 0.00 1.19 0.04 -0.26 -2.69 116.94 116.15 1pqk h PHE 133 Ca -0.04 -0.11 0.00 0.00 2.80 0.00 0.00 57.97 60.62 1pqk h PHE 133 Cb 1.39 -0.21 0.00 0.00 2.20 0.00 0.00 35.95 39.33 1pqk h PHE 133 CO 0.03 0.74 0.00 0.00 -0.60 0.00 0.00 178.31 178.48 1pqk h ALA 134 N 1.29 1.00 -1.60 2.45 0.00 -1.09 -3.31 119.26 118.00 1pqk h ALA 134 Ca 0.13 0.00 -0.77 0.00 0.00 0.00 0.00 54.91 54.27 1pqk h ALA 134 Cb 0.47 0.00 -0.21 0.00 0.00 0.00 0.00 17.79 18.04 1pqk h ALA 134 CO 0.02 0.00 1.31 1.17 0.00 0.00 0.00 179.25 181.75 1pqk n LYS 135 N -2.91 3.80 -3.47 0.00 4.81 -1.01 -4.77 118.16 114.60 1pqk n LYS 135 Ca 0.01 -4.02 -0.12 0.00 -0.87 0.00 0.00 58.31 53.31 1pqk n LYS 135 Cb 0.28 -2.78 -0.02 0.00 0.02 0.00 0.00 35.03 32.53 1pqk n LYS 135 CO 0.00 0.00 0.00 -1.54 1.17 0.00 0.00 177.40 177.03 1pqk s SER 136 N 0.61 -0.51 0.26 3.14 1.04 -1.25 -4.97 113.70 112.02 1pqk s SER 136 Ca 0.37 -0.07 -0.02 0.00 0.48 0.00 0.00 55.95 56.71 1pqk s SER 136 Cb 0.03 0.59 0.34 0.00 0.10 0.00 0.00 66.02 67.08 1pqk s SER 136 CO 0.02 -0.97 1.78 0.03 0.98 0.00 0.00 173.24 175.08 1pqk h ARG 137 N 2.05 0.82 0.02 4.02 3.08 -1.92 -1.83 114.38 120.62 1pqk h ARG 137 Ca -0.33 -0.20 0.03 0.00 0.07 0.00 0.00 59.98 59.54 1pqk h ARG 137 Cb 1.30 -0.10 -0.04 0.00 0.08 0.00 0.00 29.97 31.21 1pqk h ARG 137 CO 0.39 0.79 -0.21 2.35 -1.07 0.00 0.00 179.97 182.22 1pqk h TRP 138 N 0.77 -0.56 -0.35 3.04 7.01 -1.95 0.36 115.95 124.27 1pqk h TRP 138 Ca 0.16 0.02 0.03 0.00 2.11 0.00 0.00 58.89 61.20 1pqk h TRP 138 Cb 0.40 0.25 -0.03 0.00 -2.10 0.00 0.00 29.16 27.68 1pqk h TRP 138 CO 0.02 -0.30 0.16 -0.92 -2.79 0.00 0.00 178.44 174.61 1pqk h TYR 139 N -0.35 0.30 -0.51 2.65 3.20 -1.74 -1.65 116.97 118.87 1pqk h TYR 139 Ca 0.05 0.02 -0.05 0.00 3.14 0.00 0.00 58.73 61.88 1pqk h TYR 139 Cb 0.42 -0.08 -0.02 0.00 1.54 0.00 0.00 36.73 38.58 1pqk h TYR 139 CO -0.24 0.15 0.10 -0.91 -1.64 0.00 0.00 178.16 175.61 1pqk h ASN 140 N 0.34 0.73 -0.10 -2.11 4.21 -0.90 -2.01 115.58 115.74 1pqk h ASN 140 Ca 0.15 -0.14 -0.01 0.00 1.21 0.00 0.00 56.30 57.51 1pqk h ASN 140 Cb 0.08 -0.19 -0.00 0.00 -1.12 0.00 0.00 38.32 37.08 1pqk h ASN 140 CO -0.12 0.74 0.02 -0.61 -1.29 0.00 0.00 177.43 176.17 1pqk h GLN 141 N 0.75 0.16 -2.11 0.81 5.75 0.21 -3.37 115.11 117.31 1pqk h GLN 141 Ca 0.16 -0.04 -0.58 0.00 -0.15 0.00 0.00 58.65 58.04 1pqk h GLN 141 Cb 0.32 -0.02 -0.40 0.00 1.07 0.00 0.00 27.48 28.45 1pqk h GLN 141 CO 0.00 0.37 -0.89 0.25 -2.65 0.00 0.00 178.83 175.91 1pqk n THR 142 N -4.86 0.52 -0.29 2.39 -2.24 -0.67 -4.99 114.28 104.15 1pqk n THR 142 Ca -0.06 -4.48 0.01 0.00 -2.27 0.00 0.00 64.05 57.25 1pqk n THR 142 Cb 0.17 -2.01 0.21 0.00 -2.10 0.00 0.00 70.33 66.60 1pqk n THR 142 CO 0.00 0.00 0.00 1.55 -0.57 0.00 0.00 175.07 176.05 1pqk h PRO 143 N 4.16 1.08 -0.35 -0.78 0.13 -1.54 -0.53 132.00 134.17 1pqk h PRO 143 Ca 0.13 -0.07 -0.05 0.00 -0.87 0.00 0.00 66.00 65.15 1pqk h PRO 143 Cb 0.79 -0.24 -0.01 0.00 0.13 0.00 0.00 31.00 31.67 1pqk h PRO 143 CO 0.61 0.72 0.04 -0.91 -0.23 0.00 0.00 178.00 178.22 1pqk h ASN 144 N 1.11 0.57 -0.13 1.44 2.35 -1.94 -0.62 115.58 118.36 1pqk h ASN 144 Ca 0.34 -0.28 -0.10 0.00 -0.55 0.00 0.00 56.30 55.71 1pqk h ASN 144 Cb -0.03 -0.15 0.00 0.00 0.05 0.00 0.00 38.32 38.20 1pqk h ASN 144 CO -0.09 0.70 -0.32 -0.09 -1.65 0.00 0.00 177.43 175.98 1pqk h ARG 145 N 0.41 0.44 -0.78 0.81 2.43 -1.94 -2.96 114.38 112.80 1pqk h ARG 145 Ca 0.10 -0.30 0.08 0.00 -0.81 0.00 0.00 59.98 59.05 1pqk h ARG 145 Cb 0.39 0.05 -0.06 0.00 -0.42 0.00 0.00 29.97 29.92 1pqk h ARG 145 CO 0.01 0.92 0.45 0.00 -1.51 0.00 0.00 179.97 179.84 1pqk h ALA 146 N 0.52 1.08 -0.60 2.80 0.00 -1.00 -1.50 119.26 120.57 1pqk h ALA 146 Ca -0.00 0.02 0.06 0.00 0.00 0.00 0.00 54.91 54.98 1pqk h ALA 146 Cb 0.92 -0.15 -0.05 0.00 0.00 0.00 0.00 17.79 18.51 1pqk h ALA 146 CO 0.07 0.12 0.31 0.87 0.00 0.00 0.00 179.25 180.62 1pqk h LYS 147 N 0.80 0.56 -0.32 0.00 1.57 -1.10 1.00 116.57 119.07 1pqk h LYS 147 Ca 0.36 -0.03 -0.03 0.00 -1.87 0.00 0.00 60.65 59.08 1pqk h LYS 147 Cb 0.26 -0.13 -0.01 0.00 0.08 0.00 0.00 32.23 32.43 1pqk h LYS 147 CO -0.21 0.37 0.09 0.00 -0.57 0.00 0.00 179.45 179.13 1pqk h ARG 148 N 0.58 0.50 -0.49 3.15 3.08 -1.19 -1.08 114.38 118.92 1pqk h ARG 148 Ca 0.27 -0.11 0.05 0.00 0.07 0.00 0.00 59.98 60.26 1pqk h ARG 148 Cb 0.19 -0.07 -0.05 0.00 0.08 0.00 0.00 29.97 30.12 1pqk h ARG 148 CO -0.19 0.55 0.22 0.82 -1.07 0.00 0.00 179.97 180.30 1pqk h ILE 149 N 0.36 0.90 -0.26 2.04 1.08 -0.89 -0.77 117.51 119.98 1pqk h ILE 149 Ca 0.10 -0.15 -0.10 0.00 -0.39 0.00 0.00 64.86 64.32 1pqk h ILE 149 Cb 0.26 0.44 -0.01 0.00 -3.07 0.00 0.00 36.82 34.44 1pqk h ILE 149 CO -0.00 0.08 -0.28 0.40 -0.69 0.00 0.00 178.15 177.65 1pqk h ILE 150 N 0.43 1.27 -0.70 -0.67 2.04 -0.66 -1.98 117.51 117.25 1pqk h ILE 150 Ca 0.23 -1.34 -0.02 0.00 1.00 0.00 0.00 64.86 64.72 1pqk h ILE 150 Cb 0.18 1.39 -0.03 0.00 -0.74 0.00 0.00 36.82 37.62 1pqk h ILE 150 CO -0.19 0.43 0.34 0.74 0.00 0.00 0.00 178.15 179.47 1pqk h THR 151 N 0.45 1.23 -0.00 -0.27 2.02 -0.34 0.30 112.91 116.29 1pqk h THR 151 Ca 0.06 -0.63 0.02 0.00 0.77 0.00 0.00 66.41 66.63 1pqk h THR 151 Cb 0.73 0.36 -0.03 0.00 -1.74 0.00 0.00 68.15 67.47 1pqk h THR 151 CO 0.06 0.26 -0.12 0.58 0.37 0.00 0.00 175.52 176.67 1pqk h VAL 152 N 0.97 0.70 -0.58 3.16 2.07 -0.74 0.92 116.25 122.75 1pqk h VAL 152 Ca 0.24 0.00 0.02 0.00 0.82 0.00 0.00 66.70 67.78 1pqk h VAL 152 Cb 0.10 0.70 -0.04 0.00 -1.52 0.00 0.00 31.29 30.54 1pqk h VAL 152 CO -0.03 0.00 0.36 -0.26 0.02 0.00 0.00 177.57 177.65 1pqk h PHE 153 N -0.20 0.67 -0.20 1.57 0.05 -1.07 2.09 116.94 119.84 1pqk h PHE 153 Ca 0.04 0.02 -0.01 0.00 3.82 0.00 0.00 57.97 61.85 1pqk h PHE 153 Cb 0.26 -0.22 -0.01 0.00 2.00 0.00 0.00 35.95 37.98 1pqk h PHE 153 CO -0.18 0.38 0.10 -0.09 -0.18 0.00 0.00 178.31 178.34 1pqk h ARG 154 N 0.70 0.28 0.00 1.51 2.43 0.13 -3.34 114.38 116.10 1pqk h ARG 154 Ca 0.23 -0.04 -0.33 0.00 -0.81 0.00 0.00 59.98 59.03 1pqk h ARG 154 Cb 0.01 -0.05 -0.06 0.00 -0.42 0.00 0.00 29.97 29.45 1pqk h ARG 154 CO -0.09 0.28 -2.08 0.25 -1.51 0.00 0.00 179.97 176.82 1pqk n THR 155 N -4.88 1.47 -0.98 0.20 -2.24 0.32 -4.89 114.28 103.27 1pqk n THR 155 Ca -0.04 -0.83 0.00 0.00 -2.27 0.00 0.00 64.05 60.92 1pqk n THR 155 Cb 0.08 -0.71 0.00 0.00 -2.10 0.00 0.00 70.33 67.61 1pqk n THR 155 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 1pqk n GLY 156 N 1.66 0.48 3.58 3.38 0.00 0.70 -5.01 105.19 109.98 1pqk n GLY 156 Ca -0.26 -0.26 -0.27 0.00 0.00 0.00 0.00 46.02 45.23 1pqk n GLY 156 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 1pqk s THR 157 N -2.00 1.14 -1.41 2.61 -4.23 -1.26 -4.81 115.64 105.68 1pqk s THR 157 Ca 0.00 -2.00 0.17 0.00 -1.18 0.00 0.00 61.69 58.68 1pqk s THR 157 Cb 0.00 -2.52 0.61 0.00 1.34 0.00 0.00 72.50 71.93 1pqk s THR 157 CO 0.00 0.00 1.50 0.79 -0.54 0.00 0.00 174.62 176.37 1pqk n TRP 158 N -0.96 1.18 -0.36 3.99 7.02 -1.26 -4.51 117.44 122.54 1pqk n TRP 158 Ca -0.08 -0.49 0.27 0.00 -1.02 0.00 0.00 57.50 56.17 1pqk n TRP 158 Cb 0.66 -0.16 0.52 0.00 -2.42 0.00 0.00 31.31 29.91 1pqk n TRP 158 CO 0.00 0.00 0.00 -0.44 -2.02 0.00 0.00 177.69 175.23 1pqk h ASP 159 N 3.60 0.44 0.70 -0.99 5.19 -1.97 0.42 116.42 123.82 1pqk h ASP 159 Ca 0.00 0.15 -0.07 0.00 -0.62 0.00 0.00 57.03 56.49 1pqk h ASP 159 Cb 1.18 0.10 -0.01 0.00 0.18 0.00 0.00 39.33 40.78 1pqk h ASP 159 CO 0.15 -0.09 -0.35 0.00 -3.12 0.00 0.00 179.24 175.83 1pqk h ALA 160 N 1.73 1.09 0.00 3.45 0.00 -1.90 -3.35 119.26 120.28 1pqk h ALA 160 Ca 0.72 -0.32 -0.25 0.00 0.00 0.00 0.00 54.91 55.06 1pqk h ALA 160 Cb 1.85 -0.06 -0.05 0.00 0.00 0.00 0.00 17.79 19.54 1pqk h ALA 160 CO -0.48 0.43 -1.95 0.66 0.00 0.00 0.00 179.25 177.91 1pqk n TYR 161 N -3.64 0.00 0.23 0.00 4.01 -0.07 -4.74 117.16 112.95 1pqk n TYR 161 Ca -0.01 0.00 0.12 0.00 -0.16 0.00 0.00 57.90 57.86 1pqk n TYR 161 Cb 0.46 -0.68 0.62 0.00 -0.31 0.00 0.00 39.34 39.43 1pqk n TYR 161 CO 0.00 0.00 0.00 1.57 -0.46 0.00 0.00 176.86 177.97 1pqk h LYS 162 N 0.00 0.00 -0.21 -0.72 2.10 -1.14 -2.44 116.57 114.17 1pqk h LYS 162 Ca -0.38 0.00 0.00 0.00 -2.00 0.00 0.00 60.65 58.27 1pqk h LYS 162 Cb 1.82 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 33.15 1pqk h LYS 162 CO 0.01 0.00 0.00 0.09 -2.00 0.00 0.00 179.45 177.55 1pqk n ASN 163 N -2.34 2.55 0.00 7.07 4.13 -1.26 -5.10 115.26 120.31 1pqk n ASN 163 Ca -0.01 -2.00 0.09 0.00 1.68 0.00 0.00 54.58 54.34 1pqk n ASN 163 Cb 0.08 -0.14 0.51 0.00 -1.54 0.00 0.00 39.78 38.69 1pqk n ASN 163 CO 0.00 0.00 0.00 0.18 0.28 0.00 0.00 177.26 177.72