#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1pw6 h SER 6 N 0.00 0.00 1.59 -3.46 4.64 -2.06 -2.97 113.55 111.29 1pw6 h SER 6 Ca 0.00 0.00 -0.01 0.00 -0.47 0.00 0.00 61.79 61.31 1pw6 h SER 6 Cb 0.00 0.00 -0.00 0.00 -0.31 0.00 0.00 62.40 62.09 1pw6 h SER 6 CO 0.00 0.00 -0.04 0.74 -0.87 0.00 0.00 176.83 176.66 1pw6 h THR 7 N 0.00 0.08 -0.57 2.95 2.02 -2.02 -3.37 112.91 112.00 1pw6 h THR 7 Ca 0.00 -0.91 0.11 0.00 0.77 0.00 0.00 66.41 66.37 1pw6 h THR 7 Cb 0.49 1.85 -0.11 0.00 -1.74 0.00 0.00 68.15 68.63 1pw6 h THR 7 CO 0.00 0.04 -0.27 0.50 0.37 0.00 0.00 175.52 176.16 1pw6 h LYS 8 N 0.00 -0.12 -0.49 6.66 3.64 -1.87 0.52 116.57 124.90 1pw6 h LYS 8 Ca -0.00 0.01 0.03 0.00 -1.27 0.00 0.00 60.65 59.42 1pw6 h LYS 8 Cb 0.85 0.03 -0.03 0.00 -0.41 0.00 0.00 32.23 32.67 1pw6 h LYS 8 CO 0.01 -0.08 0.32 -0.22 -2.27 0.00 0.00 179.45 177.21 1pw6 h LYS 9 N -0.13 0.52 -0.10 1.90 3.64 -1.84 -0.42 116.57 120.14 1pw6 h LYS 9 Ca 0.25 -0.03 -0.24 0.00 -1.27 0.00 0.00 60.65 59.36 1pw6 h LYS 9 Cb 0.52 -0.12 0.01 0.00 -0.41 0.00 0.00 32.23 32.24 1pw6 h LYS 9 CO -0.65 0.34 -0.86 1.15 -2.27 0.00 0.00 179.45 177.16 1pw6 h THR 10 N 0.53 1.28 -0.01 1.00 2.02 -1.41 -2.64 112.91 113.69 1pw6 h THR 10 Ca 0.20 -2.07 0.02 0.00 0.77 0.00 0.00 66.41 65.32 1pw6 h THR 10 Cb 0.13 2.12 -0.02 0.00 -1.74 0.00 0.00 68.15 68.63 1pw6 h THR 10 CO -0.05 0.65 -0.08 1.56 0.37 0.00 0.00 175.52 177.97 1pw6 h GLN 11 N 0.48 -0.13 -0.51 6.66 4.20 0.32 0.93 115.11 127.07 1pw6 h GLN 11 Ca -0.08 0.01 0.01 0.00 0.06 0.00 0.00 58.65 58.65 1pw6 h GLN 11 Cb 1.50 0.03 -0.03 0.00 0.30 0.00 0.00 27.48 29.28 1pw6 h GLN 11 CO 0.17 -0.09 0.33 -0.07 -0.67 0.00 0.00 178.83 178.50 1pw6 h LEU 12 N -0.14 0.56 -1.00 1.46 3.38 -1.20 0.09 115.31 118.45 1pw6 h LEU 12 Ca 0.03 -0.01 -0.03 0.00 0.09 0.00 0.00 57.88 57.97 1pw6 h LEU 12 Cb 0.18 -0.13 -0.04 0.00 0.09 0.00 0.00 40.66 40.76 1pw6 h LEU 12 CO -0.09 0.40 0.36 1.56 0.09 0.00 0.00 178.44 180.76 1pw6 h GLN 13 N 0.66 1.07 -0.09 1.13 4.20 -1.18 0.13 115.11 121.03 1pw6 h GLN 13 Ca 0.19 -0.15 -0.10 0.00 0.06 0.00 0.00 58.65 58.65 1pw6 h GLN 13 Cb -0.05 -0.20 -0.01 0.00 0.30 0.00 0.00 27.48 27.52 1pw6 h GLN 13 CO -0.05 0.82 -0.41 -0.07 -0.67 0.00 0.00 178.83 178.44 1pw6 h LEU 14 N 1.06 0.21 -0.39 1.46 3.38 -0.30 -2.23 115.31 118.50 1pw6 h LEU 14 Ca 0.26 -0.09 -0.17 0.00 0.09 0.00 0.00 57.88 57.97 1pw6 h LEU 14 Cb 0.10 -0.06 -0.00 0.00 0.09 0.00 0.00 40.66 40.79 1pw6 h LEU 14 CO -0.03 0.61 -0.47 -0.08 0.09 0.00 0.00 178.44 178.55 1pw6 h GLU 15 N 0.17 0.84 -0.32 1.13 4.57 -0.09 -1.94 114.58 118.94 1pw6 h GLU 15 Ca 0.01 -0.49 -0.02 0.00 -1.18 0.00 0.00 59.36 57.69 1pw6 h GLU 15 Cb 0.81 0.04 -0.01 0.00 -0.16 0.00 0.00 28.75 29.42 1pw6 h GLU 15 CO 0.06 1.13 0.14 1.25 -1.18 0.00 0.00 179.01 180.41 1pw6 h HIS 16 N 0.67 0.48 -0.58 0.92 2.76 -0.64 0.24 115.15 118.99 1pw6 h HIS 16 Ca 0.03 -0.03 -0.02 0.00 -2.20 0.00 0.00 60.37 58.15 1pw6 h HIS 16 Cb 1.06 -0.15 -0.03 0.00 1.55 0.00 0.00 27.41 29.85 1pw6 h HIS 16 CO 0.06 0.45 0.29 1.25 -1.30 0.00 0.00 177.93 178.68 1pw6 h LEU 17 N 0.38 0.76 -0.54 0.26 5.85 -1.45 -0.72 115.31 119.85 1pw6 h LEU 17 Ca 0.11 -0.12 0.04 0.00 0.84 0.00 0.00 57.88 58.74 1pw6 h LEU 17 Cb 0.17 -0.19 -0.04 0.00 0.37 0.00 0.00 40.66 40.96 1pw6 h LEU 17 CO -0.01 0.67 0.30 0.25 -0.34 0.00 0.00 178.44 179.31 1pw6 h LEU 18 N 0.79 0.47 -0.55 2.25 5.85 -1.13 -1.40 115.31 121.59 1pw6 h LEU 18 Ca 0.20 0.02 -0.06 0.00 0.84 0.00 0.00 57.88 58.88 1pw6 h LEU 18 Cb 0.10 -0.08 -0.02 0.00 0.37 0.00 0.00 40.66 41.03 1pw6 h LEU 18 CO -0.03 0.32 0.11 -0.07 -0.34 0.00 0.00 178.44 178.44 1pw6 h LEU 19 N 0.59 0.86 -0.74 2.25 3.38 -0.67 -1.12 115.31 119.86 1pw6 h LEU 19 Ca 0.23 -0.25 0.00 0.00 0.09 0.00 0.00 57.88 57.95 1pw6 h LEU 19 Cb 0.08 -0.23 -0.04 0.00 0.09 0.00 0.00 40.66 40.57 1pw6 h LEU 19 CO -0.13 0.88 0.47 0.44 0.09 0.00 0.00 178.44 180.19 1pw6 h ASP 20 N 0.79 0.86 0.25 -0.43 5.19 -0.80 0.59 116.42 122.88 1pw6 h ASP 20 Ca 0.17 -0.04 -0.13 0.00 -0.62 0.00 0.00 57.03 56.41 1pw6 h ASP 20 Cb 0.37 -0.22 -0.01 0.00 0.18 0.00 0.00 39.33 39.66 1pw6 h ASP 20 CO 0.01 0.65 -0.52 -0.07 -3.12 0.00 0.00 179.24 176.18 1pw6 h LEU 21 N 1.00 0.33 -0.56 1.55 3.38 -1.17 -2.85 115.31 117.00 1pw6 h LEU 21 Ca 0.27 -0.17 -0.11 0.00 0.09 0.00 0.00 57.88 57.96 1pw6 h LEU 21 Cb -0.08 -0.10 -0.02 0.00 0.09 0.00 0.00 40.66 40.55 1pw6 h LEU 21 CO -0.05 0.80 -0.06 -0.61 0.09 0.00 0.00 178.44 178.60 1pw6 h GLN 22 N 0.24 1.04 -0.14 1.13 4.15 -0.68 -1.76 115.11 119.10 1pw6 h GLN 22 Ca 0.01 -0.36 0.03 0.00 0.77 0.00 0.00 58.65 59.09 1pw6 h GLN 22 Cb 1.00 -0.08 -0.03 0.00 0.21 0.00 0.00 27.48 28.58 1pw6 h GLN 22 CO 0.08 1.06 -0.05 0.52 -1.93 0.00 0.00 178.83 178.51 1pw6 h MET 23 N 0.92 -0.03 0.35 1.69 2.86 -0.81 -0.49 114.93 119.41 1pw6 h MET 23 Ca 0.15 0.00 -0.02 0.00 -2.06 0.00 0.00 59.70 57.78 1pw6 h MET 23 Cb 0.63 0.01 0.00 0.00 0.06 0.00 0.00 31.60 32.30 1pw6 h MET 23 CO 0.04 -0.02 -0.17 0.82 1.06 0.00 0.00 176.91 178.64 1pw6 h ILE 24 N -0.03 0.67 -0.28 -1.22 2.04 -1.43 -1.12 117.51 116.14 1pw6 h ILE 24 Ca 0.07 -0.29 0.06 0.00 1.00 0.00 0.00 64.86 65.71 1pw6 h ILE 24 Cb 0.14 0.82 -0.06 0.00 -0.74 0.00 0.00 36.82 36.98 1pw6 h ILE 24 CO -0.16 0.06 -0.11 0.25 0.00 0.00 0.00 178.15 178.19 1pw6 h LEU 25 N -0.63 -0.39 -1.33 1.44 5.85 -1.29 0.22 115.31 119.18 1pw6 h LEU 25 Ca -0.05 0.10 0.07 0.00 0.84 0.00 0.00 57.88 58.84 1pw6 h LEU 25 Cb 0.45 0.23 -0.05 0.00 0.37 0.00 0.00 40.66 41.66 1pw6 h LEU 25 CO 0.08 -0.15 0.50 0.78 -0.34 0.00 0.00 178.44 179.32 1pw6 h ASN 26 N -0.06 0.71 1.65 1.25 2.35 -1.03 0.17 115.58 120.62 1pw6 h ASN 26 Ca 0.15 0.01 -0.02 0.00 -0.55 0.00 0.00 56.30 55.88 1pw6 h ASN 26 Cb 0.28 -0.15 -0.00 0.00 0.05 0.00 0.00 38.32 38.50 1pw6 h ASN 26 CO -0.33 0.45 -0.35 1.23 -1.65 0.00 0.00 177.43 176.78 1pw6 h GLY 27 N 0.80 0.00 0.03 2.83 0.00 -0.20 -3.38 103.07 103.15 1pw6 h GLY 27 Ca 0.33 0.00 -0.35 0.00 0.00 0.00 0.00 47.33 47.32 1pw6 h GLY 27 CO -0.12 0.00 -1.90 1.39 0.00 0.00 0.00 176.54 175.91 1pw6 n ILE 28 N -3.02 1.54 -2.29 2.60 5.41 0.68 -4.38 119.36 119.90 1pw6 n ILE 28 Ca 0.02 -0.24 -0.43 0.00 1.00 0.00 0.00 62.75 63.11 1pw6 n ILE 28 Cb 0.58 -1.93 0.00 0.00 -0.71 0.00 0.00 39.64 37.58 1pw6 n ILE 28 CO 0.00 0.00 0.00 -3.20 0.00 0.00 0.00 176.55 173.35 1pw6 n ASN 29 N -4.26 4.91 -4.17 4.38 5.15 0.56 -4.80 115.26 117.04 1pw6 n ASN 29 Ca -0.42 -3.06 -0.15 0.00 -0.60 0.00 0.00 54.58 50.35 1pw6 n ASN 29 Cb 0.80 -1.52 -0.11 0.00 -0.53 0.00 0.00 39.78 38.43 1pw6 n ASN 29 CO 0.00 0.00 0.00 0.21 1.40 0.00 0.00 177.26 178.87 1pw6 s ASN 30 N 1.42 1.45 0.46 1.20 3.84 -1.26 -4.88 114.94 117.17 1pw6 s ASN 30 Ca 0.41 -0.77 0.25 0.00 0.21 0.00 0.00 52.86 52.96 1pw6 s ASN 30 Cb 0.09 0.00 1.04 0.00 -0.55 0.00 0.00 41.25 41.83 1pw6 s ASN 30 CO -0.01 -0.23 1.88 0.10 -2.79 0.00 0.00 177.10 176.05 1pw6 h TYR 31 N 3.72 0.00 -0.00 0.43 -0.00 -1.97 -2.87 116.97 116.28 1pw6 h TYR 31 Ca -0.38 0.00 0.00 0.00 0.00 0.00 0.00 58.73 58.35 1pw6 h TYR 31 Cb 1.19 0.00 0.00 0.00 0.00 0.00 0.00 36.73 37.92 1pw6 h TYR 31 CO 0.63 0.20 -0.01 1.63 -0.00 0.00 0.00 178.16 180.62 1pw6 n LYS 32 N -3.43 0.18 -2.20 0.10 5.02 -1.26 -4.71 118.16 111.86 1pw6 n LYS 32 Ca -0.00 -0.00 -0.43 0.00 -2.02 0.00 0.00 58.31 55.86 1pw6 n LYS 32 Cb 0.39 -1.50 -0.02 0.00 -0.02 0.00 0.00 35.03 33.88 1pw6 n LYS 32 CO 0.00 0.00 0.00 1.21 -0.52 0.00 0.00 177.40 178.09 1pw6 s ASN 33 N -2.83 6.44 0.43 4.39 3.84 -1.08 -4.85 114.94 121.28 1pw6 s ASN 33 Ca 0.20 1.49 0.22 0.00 0.21 0.00 0.00 52.86 54.98 1pw6 s ASN 33 Cb 0.19 -2.53 0.91 0.00 -0.55 0.00 0.00 41.25 39.27 1pw6 s ASN 33 CO 0.50 -1.22 1.83 -0.65 -2.79 0.00 0.00 177.10 174.77 1pw6 h PRO 34 N 10.40 0.00 -0.68 0.43 0.11 -1.89 -3.12 132.00 137.25 1pw6 h PRO 34 Ca -0.32 0.00 -0.35 0.00 0.11 0.00 0.00 66.00 65.45 1pw6 h PRO 34 Cb 1.14 0.00 -0.21 0.00 0.11 0.00 0.00 31.00 32.04 1pw6 h PRO 34 CO 1.01 0.26 0.29 1.63 -0.21 0.00 0.00 178.00 180.98 1pw6 n LYS 35 N -3.50 2.08 -0.03 1.05 4.76 -1.26 -4.69 118.16 116.57 1pw6 n LYS 35 Ca -0.00 -3.10 -0.11 0.00 -2.87 0.00 0.00 58.31 52.22 1pw6 n LYS 35 Cb 0.43 -2.00 -0.05 0.00 -1.84 0.00 0.00 35.03 31.56 1pw6 n LYS 35 CO 0.00 0.00 0.00 1.25 -1.37 0.00 0.00 177.40 177.28 1pw6 h LEU 36 N 1.04 0.19 -0.01 -0.35 5.85 -1.88 -1.44 115.31 118.71 1pw6 h LEU 36 Ca 0.43 -0.13 0.01 0.00 0.84 0.00 0.00 57.88 59.04 1pw6 h LEU 36 Cb 2.27 -0.05 -0.02 0.00 0.37 0.00 0.00 40.66 43.23 1pw6 h LEU 36 CO 0.75 0.26 -0.07 0.74 -0.34 0.00 0.00 178.44 179.78 1pw6 h THR 37 N 0.10 0.82 -0.21 1.05 2.02 -1.88 -2.88 112.91 111.94 1pw6 h THR 37 Ca 0.05 0.00 -0.16 0.00 0.77 0.00 0.00 66.41 67.07 1pw6 h THR 37 Cb 0.12 0.82 -0.01 0.00 -1.74 0.00 0.00 68.15 67.35 1pw6 h THR 37 CO -0.01 0.00 -0.54 0.03 0.37 0.00 0.00 175.52 175.38 1pw6 h ARG 38 N -0.12 0.61 -0.69 6.66 3.08 -1.91 -3.11 114.38 118.90 1pw6 h ARG 38 Ca 0.03 -0.38 0.02 0.00 0.07 0.00 0.00 59.98 59.72 1pw6 h ARG 38 Cb 0.16 0.04 -0.04 0.00 0.08 0.00 0.00 29.97 30.21 1pw6 h ARG 38 CO -0.08 0.99 0.46 1.98 -1.07 0.00 0.00 179.97 182.25 1pw6 h MET 39 N 0.47 0.85 0.00 0.04 4.05 -1.19 -2.07 114.93 117.08 1pw6 h MET 39 Ca 0.01 -0.05 0.00 0.00 -0.28 0.00 0.00 59.70 59.38 1pw6 h MET 39 Cb 1.09 -0.19 0.00 0.00 -0.80 0.00 0.00 31.60 31.70 1pw6 h MET 39 CO 0.10 0.56 0.00 1.28 0.23 0.00 0.00 176.91 179.09 1pw6 n LEU 40 N -4.45 0.39 0.24 3.39 4.77 -1.09 -2.75 117.00 117.49 1pw6 n LEU 40 Ca 0.08 0.57 0.13 0.00 -0.03 0.00 0.00 56.01 56.76 1pw6 n LEU 40 Cb 0.08 -0.48 0.35 0.00 -2.33 0.00 0.00 43.42 41.04 1pw6 n LEU 40 CO 0.35 -0.28 0.85 0.71 -1.33 0.00 0.00 177.39 177.70 1pw6 h THR 41 N 0.00 0.08 -2.99 -5.08 1.35 -1.45 -3.44 112.91 101.39 1pw6 h THR 41 Ca 0.00 -0.91 -0.53 0.00 -0.55 0.00 0.00 66.41 64.42 1pw6 h THR 41 Cb 0.45 1.85 0.02 0.00 -1.73 0.00 0.00 68.15 68.74 1pw6 h THR 41 CO 0.00 0.04 0.73 0.12 -0.25 0.00 0.00 175.52 176.17 1pw6 s PHE 42 N -3.37 3.23 -0.18 4.73 5.36 -1.11 -5.00 117.98 121.64 1pw6 s PHE 42 Ca 0.04 0.93 -0.13 0.00 -0.96 0.00 0.00 56.93 56.82 1pw6 s PHE 42 Cb 0.07 -3.70 -0.05 0.00 -0.34 0.00 0.00 43.02 39.00 1pw6 s PHE 42 CO 0.63 -2.45 0.24 0.15 -1.46 0.00 0.00 175.22 172.33 1pw6 s LYS 43 N 1.11 4.22 0.03 10.12 1.02 -1.26 -4.37 119.74 130.61 1pw6 s LYS 43 Ca 0.65 -0.02 0.05 0.00 0.02 0.00 0.00 55.97 56.68 1pw6 s LYS 43 Cb -0.37 -3.44 -0.03 0.00 -0.52 0.00 0.00 37.83 33.47 1pw6 s LYS 43 CO 0.30 0.23 -0.13 -0.06 -0.92 0.00 0.00 175.35 174.77 1pw6 s PHE 44 N 0.52 2.71 -0.15 3.18 0.08 0.57 -4.88 117.98 120.02 1pw6 s PHE 44 Ca 0.13 -0.16 -0.29 0.00 0.12 0.00 0.00 56.93 56.73 1pw6 s PHE 44 Cb -0.12 -1.53 -0.01 0.00 -0.57 0.00 0.00 43.02 40.79 1pw6 s PHE 44 CO 0.02 0.31 1.04 0.71 -0.10 0.00 0.00 175.22 177.20 1pw6 s TYR 45 N -0.96 3.42 0.06 0.36 2.02 -1.26 -1.72 117.35 119.26 1pw6 s TYR 45 Ca 0.16 1.51 -0.02 0.00 -0.37 0.00 0.00 57.07 58.35 1pw6 s TYR 45 Cb -0.11 -3.24 -0.04 0.00 -0.40 0.00 0.00 41.96 38.17 1pw6 s TYR 45 CO 0.07 -0.42 0.24 -1.64 -1.57 0.00 0.00 175.55 172.23 1pw6 s MET 46 N 2.48 3.49 0.44 -0.62 -1.94 -1.26 -4.98 119.30 116.91 1pw6 s MET 46 Ca 0.47 -0.33 -0.22 0.00 -1.71 0.00 0.00 55.69 53.91 1pw6 s MET 46 Cb -0.18 -3.01 -0.09 0.00 2.01 0.00 0.00 34.83 33.56 1pw6 s MET 46 CO 0.14 0.59 1.03 -1.25 -0.01 0.00 0.00 175.02 175.52 1pw6 s PRO 47 N -2.40 4.01 0.04 2.03 0.04 -1.26 -0.76 135.00 136.70 1pw6 s PRO 47 Ca 0.35 1.38 -0.20 0.00 0.04 0.00 0.00 61.00 62.57 1pw6 s PRO 47 Cb -0.13 -2.29 -0.16 0.00 0.04 0.00 0.00 34.50 31.97 1pw6 s PRO 47 CO 0.25 -0.25 1.29 0.87 0.04 0.00 0.00 177.00 179.21 1pw6 h LYS 48 N 1.99 0.40 -5.02 4.56 1.57 -1.39 -3.38 116.57 115.30 1pw6 h LYS 48 Ca -0.49 -0.25 -0.54 0.00 -1.87 0.00 0.00 60.65 57.50 1pw6 h LYS 48 Cb 1.21 0.03 -0.32 0.00 0.08 0.00 0.00 32.23 33.23 1pw6 h LYS 48 CO 0.61 0.84 -0.83 0.15 -0.57 0.00 0.00 179.45 179.65 1pw6 s LYS 49 N -4.06 1.74 -0.47 3.15 1.02 -1.26 -4.94 119.74 114.92 1pw6 s LYS 49 Ca -0.14 -0.54 0.09 0.00 0.02 0.00 0.00 55.97 55.40 1pw6 s LYS 49 Cb 0.05 -1.48 0.33 0.00 -0.52 0.00 0.00 37.83 36.21 1pw6 s LYS 49 CO 0.77 0.17 0.80 0.00 -0.92 0.00 0.00 175.35 176.16 1pw6 n ALA 50 N 3.36 3.18 0.00 5.17 0.00 -1.26 -4.86 120.51 126.11 1pw6 n ALA 50 Ca -0.19 -3.98 0.00 0.00 0.00 0.00 0.00 53.44 49.26 1pw6 n ALA 50 Cb 0.53 -0.84 0.00 0.00 0.00 0.00 0.00 19.45 19.13 1pw6 n ALA 50 CO 0.00 0.00 0.00 0.25 0.00 0.00 0.00 177.50 177.75 1pw6 n THR 51 N 0.22 0.00 -4.21 0.00 -2.24 -1.26 -4.85 114.28 101.94 1pw6 n THR 51 Ca 0.27 -0.30 -0.14 0.00 -2.27 0.00 0.00 64.05 61.61 1pw6 n THR 51 Cb 0.53 0.81 -0.10 0.00 -2.10 0.00 0.00 70.33 69.46 1pw6 n THR 51 CO 0.00 0.00 0.00 -1.61 -0.57 0.00 0.00 175.07 172.89 1pw6 s GLU 52 N -1.31 0.94 0.35 -0.78 2.02 -1.26 -4.94 118.70 113.71 1pw6 s GLU 52 Ca 0.00 -1.29 0.02 0.00 0.02 0.00 0.00 54.97 53.72 1pw6 s GLU 52 Cb 0.00 -0.56 0.62 0.00 0.10 0.00 0.00 34.13 34.30 1pw6 s GLU 52 CO 0.00 0.08 2.01 -0.07 0.02 0.00 0.00 175.26 177.29 1pw6 h LEU 53 N 3.21 0.73 -1.28 1.80 3.38 -1.97 -1.37 115.31 119.81 1pw6 h LEU 53 Ca -0.37 -0.02 0.00 0.00 0.09 0.00 0.00 57.88 57.58 1pw6 h LEU 53 Cb 1.19 -0.18 0.00 0.00 0.09 0.00 0.00 40.66 41.75 1pw6 h LEU 53 CO 0.58 0.54 0.00 2.29 0.09 0.00 0.00 178.44 181.94 1pw6 n LYS 54 N -4.43 0.14 0.00 1.13 2.85 -1.26 -1.17 118.16 115.41 1pw6 n LYS 54 Ca 0.06 0.61 0.15 0.00 -1.05 0.00 0.00 58.31 58.08 1pw6 n LYS 54 Cb 0.05 -1.93 0.74 0.00 -0.65 0.00 0.00 35.03 33.24 1pw6 n LYS 54 CO 0.00 0.00 0.00 0.72 -0.05 0.00 0.00 177.40 178.07 1pw6 n HIS 55 N -2.22 0.00 0.29 5.58 8.25 -0.52 -3.27 115.22 123.34 1pw6 n HIS 55 Ca -0.01 0.00 0.15 0.00 -0.26 0.00 0.00 57.72 57.60 1pw6 n HIS 55 Cb 0.05 -0.25 0.71 0.00 1.12 0.00 0.00 29.99 31.63 1pw6 n HIS 55 CO 0.00 0.00 0.00 -0.07 0.64 0.00 0.00 176.34 176.91 1pw6 h LEU 56 N 0.12 0.00 -1.66 2.41 3.38 -1.31 -1.28 115.31 116.97 1pw6 h LEU 56 Ca 0.00 0.00 0.09 0.00 0.09 0.00 0.00 57.88 58.06 1pw6 h LEU 56 Cb 0.29 0.00 -0.03 0.00 0.09 0.00 0.00 40.66 41.00 1pw6 h LEU 56 CO 0.00 0.00 0.39 -0.61 0.09 0.00 0.00 178.44 178.31 1pw6 h GLN 57 N 0.00 0.38 -0.49 1.13 5.75 -1.78 0.18 115.11 120.27 1pw6 h GLN 57 Ca 0.00 -0.02 -0.08 0.00 -0.15 0.00 0.00 58.65 58.40 1pw6 h GLN 57 Cb 0.21 -0.08 -0.02 0.00 1.07 0.00 0.00 27.48 28.65 1pw6 h GLN 57 CO 0.00 0.25 -0.02 0.00 -2.65 0.00 0.00 178.83 176.41 1pw6 h LEU 59 N 0.77 -0.01 -0.65 0.00 5.85 -1.41 -3.20 115.31 116.66 1pw6 h LEU 59 Ca 0.15 -0.56 0.14 0.00 0.84 0.00 0.00 57.88 58.45 1pw6 h LEU 59 Cb 0.49 0.00 -0.11 0.00 0.37 0.00 0.00 40.66 41.42 1pw6 h LEU 59 CO 0.02 0.55 0.04 -0.08 -0.34 0.00 0.00 178.44 178.64 1pw6 h GLU 60 N -0.58 0.15 0.00 1.25 4.57 -0.59 -0.50 114.58 118.88 1pw6 h GLU 60 Ca -0.00 -0.01 0.00 0.00 -1.18 0.00 0.00 59.36 58.17 1pw6 h GLU 60 Cb 0.56 -0.03 0.00 0.00 -0.16 0.00 0.00 28.75 29.12 1pw6 h GLU 60 CO 0.00 0.10 0.00 0.39 -1.18 0.00 0.00 179.01 178.32 1pw6 n GLU 61 N -5.25 0.02 -0.19 1.92 1.02 -0.39 -2.28 120.64 115.49 1pw6 n GLU 61 Ca 0.10 0.17 0.06 0.00 -0.02 0.00 0.00 57.16 57.48 1pw6 n GLU 61 Cb 0.38 -1.50 0.16 0.00 -0.02 0.00 0.00 31.44 30.46 1pw6 n GLU 61 CO 0.00 0.00 0.00 0.39 1.18 0.00 0.00 177.13 178.70 1pw6 n GLU 62 N -1.48 2.87 0.18 3.49 -0.58 -0.23 -4.57 120.64 120.32 1pw6 n GLU 62 Ca 0.05 -2.10 0.05 0.00 -0.42 0.00 0.00 57.16 54.74 1pw6 n GLU 62 Cb 0.21 -1.29 0.28 0.00 -0.57 0.00 0.00 31.44 30.07 1pw6 n GLU 62 CO 0.00 0.00 0.00 -0.07 -0.48 0.00 0.00 177.13 176.58 1pw6 h LEU 63 N 2.17 0.00 0.15 -4.62 3.38 -1.09 -2.60 115.31 112.70 1pw6 h LEU 63 Ca 0.00 0.00 -0.01 0.00 0.09 0.00 0.00 57.88 57.96 1pw6 h LEU 63 Cb 0.75 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.50 1pw6 h LEU 63 CO 0.00 0.41 -0.07 0.11 0.09 0.00 0.00 178.44 178.98 1pw6 h LYS 64 N 0.00 -0.19 -0.81 1.13 1.79 -1.80 -1.81 116.57 114.88 1pw6 h LYS 64 Ca -0.00 0.01 0.05 0.00 -2.18 0.00 0.00 60.65 58.53 1pw6 h LYS 64 Cb 0.99 0.04 -0.05 0.00 -1.58 0.00 0.00 32.23 31.64 1pw6 h LYS 64 CO 0.05 0.15 0.53 -1.35 -1.08 0.00 0.00 179.45 177.75 1pw6 h PRO 65 N -0.56 0.91 -0.05 3.15 0.11 -1.88 -1.78 132.00 131.90 1pw6 h PRO 65 Ca -0.02 -0.05 0.02 0.00 0.11 0.00 0.00 66.00 66.05 1pw6 h PRO 65 Cb 0.43 -0.20 -0.02 0.00 0.11 0.00 0.00 31.00 31.31 1pw6 h PRO 65 CO 0.03 0.60 -0.07 1.25 -0.21 0.00 0.00 178.00 179.61 1pw6 h LEU 66 N 0.94 -0.21 -1.39 2.35 5.85 -1.42 -1.00 115.31 120.43 1pw6 h LEU 66 Ca 0.34 0.04 0.02 0.00 0.84 0.00 0.00 57.88 59.11 1pw6 h LEU 66 Cb 0.14 0.10 -0.03 0.00 0.37 0.00 0.00 40.66 41.24 1pw6 h LEU 66 CO -0.11 -0.10 0.42 -0.08 -0.34 0.00 0.00 178.44 178.24 1pw6 h GLU 67 N -0.10 0.81 -0.45 1.25 4.81 -1.00 0.31 114.58 120.20 1pw6 h GLU 67 Ca 0.05 -0.05 -0.04 0.00 -0.13 0.00 0.00 59.36 59.18 1pw6 h GLU 67 Cb 0.16 -0.18 -0.02 0.00 0.63 0.00 0.00 28.75 29.34 1pw6 h GLU 67 CO -0.11 0.53 0.12 1.49 -0.73 0.00 0.00 179.01 180.31 1pw6 h GLU 68 N 0.83 0.72 -0.28 1.92 4.81 -0.83 -1.52 114.58 120.23 1pw6 h GLU 68 Ca 0.24 -0.17 -0.09 0.00 -0.13 0.00 0.00 59.36 59.21 1pw6 h GLU 68 Cb -0.04 -0.10 -0.01 0.00 0.63 0.00 0.00 28.75 29.24 1pw6 h GLU 68 CO -0.06 0.71 -0.17 0.28 -0.73 0.00 0.00 179.01 179.04 1pw6 h VAL 69 N 0.60 1.30 -0.95 0.32 2.07 -0.70 -2.10 116.25 116.79 1pw6 h VAL 69 Ca 0.14 -1.29 0.01 0.00 0.82 0.00 0.00 66.70 66.38 1pw6 h VAL 69 Cb 0.31 1.52 -0.05 0.00 -1.52 0.00 0.00 31.29 31.55 1pw6 h VAL 69 CO 0.00 0.41 0.63 -0.07 0.02 0.00 0.00 177.57 178.55 1pw6 h LEU 70 N 0.36 1.10 -0.88 2.57 3.38 -0.88 0.11 115.31 121.07 1pw6 h LEU 70 Ca 0.06 -0.03 -0.10 0.00 0.09 0.00 0.00 57.88 57.90 1pw6 h LEU 70 Cb 0.70 -0.28 -0.01 0.00 0.09 0.00 0.00 40.66 41.16 1pw6 h LEU 70 CO 0.05 0.80 -0.21 0.78 0.09 0.00 0.00 178.44 179.95 1pw6 h ASN 71 N 1.30 0.59 1.64 -0.43 4.21 -1.24 -2.99 115.58 118.66 1pw6 h ASN 71 Ca 0.35 -0.19 -0.03 0.00 1.21 0.00 0.00 56.30 57.64 1pw6 h ASN 71 Cb -0.14 -0.16 -0.00 0.00 -1.12 0.00 0.00 38.32 36.90 1pw6 h ASN 71 CO -0.07 0.80 -0.13 -0.07 -1.29 0.00 0.00 177.43 176.67 1pw6 h LEU 72 N 0.53 0.00 -2.11 1.61 3.38 -0.64 -3.19 115.31 114.88 1pw6 h LEU 72 Ca 0.08 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.05 1pw6 h LEU 72 Cb 0.65 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.40 1pw6 h LEU 72 CO 0.05 0.13 0.00 0.00 0.09 0.00 0.00 178.44 178.71 1pw6 n ALA 73 N -2.14 2.48 -2.06 1.53 0.00 0.33 -4.93 120.51 115.72 1pw6 n ALA 73 Ca 0.03 -1.01 -0.42 0.00 0.00 0.00 0.00 53.44 52.03 1pw6 n ALA 73 Cb 0.53 -0.96 -0.03 0.00 0.00 0.00 0.00 19.45 18.99 1pw6 n ALA 73 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 177.50 176.36 1pw6 s GLN 74 N -1.32 4.20 0.00 0.00 2.00 -1.16 -4.81 119.66 118.56 1pw6 s GLN 74 Ca 0.38 2.13 0.00 0.00 -2.00 0.00 0.00 55.36 55.86 1pw6 s GLN 74 Cb 0.20 -3.91 0.00 0.00 0.80 0.00 0.00 33.01 30.10 1pw6 s GLN 74 CO 0.25 -0.80 0.00 0.45 -0.50 0.00 0.00 175.29 174.68 1pw6 n SER 75 N 6.85 0.53 -4.07 6.67 2.88 -1.09 -5.08 113.62 120.30 1pw6 n SER 75 Ca 0.16 0.00 -0.28 0.00 -1.33 0.00 0.00 58.87 57.43 1pw6 n SER 75 Cb 0.43 0.00 -0.17 0.00 -0.75 0.00 0.00 64.21 63.72 1pw6 n SER 75 CO 0.00 0.00 0.00 -0.75 -1.23 0.00 0.00 175.04 173.06 1pw6 s LYS 76 N 4.14 2.19 0.00 -1.46 2.20 -1.26 -4.50 119.74 121.04 1pw6 s LYS 76 Ca 0.00 -0.57 0.00 0.00 -0.36 0.00 0.00 55.97 55.04 1pw6 s LYS 76 Cb 0.00 -1.80 0.00 0.00 -1.51 0.00 0.00 37.83 34.52 1pw6 s LYS 76 CO 0.00 0.00 0.00 -1.71 -0.36 0.00 0.00 175.35 173.28 1pw6 n ASN 77 N 3.97 0.00 -4.01 1.43 5.15 -1.26 -4.79 115.26 115.75 1pw6 n ASN 77 Ca -0.20 0.00 -0.30 0.00 -0.60 0.00 0.00 54.58 53.48 1pw6 n ASN 77 Cb 0.52 0.00 -0.16 0.00 -0.53 0.00 0.00 39.78 39.60 1pw6 n ASN 77 CO 0.00 0.00 0.00 0.12 1.40 0.00 0.00 177.26 178.78 1pw6 s PHE 78 N -0.90 2.21 0.00 1.20 5.36 -1.26 -4.87 117.98 119.72 1pw6 s PHE 78 Ca 0.00 -1.28 0.00 0.00 -0.96 0.00 0.00 56.93 54.69 1pw6 s PHE 78 Cb 0.00 -1.60 0.00 0.00 -0.34 0.00 0.00 43.02 41.08 1pw6 s PHE 78 CO 0.00 -0.68 0.00 0.72 -1.46 0.00 0.00 175.22 173.80 1pw6 n HIS 79 N 4.76 0.00 -1.84 10.12 8.25 -1.26 -2.68 115.22 132.57 1pw6 n HIS 79 Ca -0.16 0.00 -0.39 0.00 -0.26 0.00 0.00 57.72 56.90 1pw6 n HIS 79 Cb 0.49 0.00 0.02 0.00 1.12 0.00 0.00 29.99 31.62 1pw6 n HIS 79 CO 0.00 0.00 0.00 -0.51 0.64 0.00 0.00 176.34 176.47 1pw6 s LEU 80 N -3.65 4.07 -0.05 2.41 1.43 -1.26 -4.92 118.68 116.70 1pw6 s LEU 80 Ca 0.00 2.84 -0.30 0.00 -1.03 0.00 0.00 54.13 55.65 1pw6 s LEU 80 Cb 0.00 -4.01 -0.05 0.00 0.03 0.00 0.00 46.19 42.16 1pw6 s LEU 80 CO 0.00 -1.21 1.63 0.00 0.23 0.00 0.00 176.35 177.00 1pw6 s ARG 81 N -2.53 4.19 0.37 1.70 1.04 -1.26 -4.92 118.95 117.54 1pw6 s ARG 81 Ca 0.63 2.16 0.08 0.00 -1.04 0.00 0.00 55.73 57.56 1pw6 s ARG 81 Cb -0.42 -3.96 0.72 0.00 -2.04 0.00 0.00 34.95 29.25 1pw6 s ARG 81 CO 0.53 -0.83 1.90 -1.35 -0.04 0.00 0.00 175.30 175.51 1pw6 h PRO 82 N 9.41 0.34 -0.29 3.89 0.11 -1.91 -2.45 132.00 141.10 1pw6 h PRO 82 Ca -0.39 -0.08 -0.12 0.00 0.11 0.00 0.00 66.00 65.53 1pw6 h PRO 82 Cb 1.17 -0.05 -0.01 0.00 0.11 0.00 0.00 31.00 32.22 1pw6 h PRO 82 CO 0.95 0.44 -0.31 -0.09 -0.21 0.00 0.00 178.00 178.79 1pw6 h ARG 83 N 0.32 0.60 -0.06 1.05 2.43 -1.94 -1.26 114.38 115.53 1pw6 h ARG 83 Ca 0.07 -0.26 -0.21 0.00 -0.81 0.00 0.00 59.98 58.76 1pw6 h ARG 83 Cb 0.36 -0.02 0.00 0.00 -0.42 0.00 0.00 29.97 29.89 1pw6 h ARG 83 CO 0.02 0.84 -0.83 -0.44 -1.51 0.00 0.00 179.97 178.05 1pw6 h ASP 84 N 0.52 0.60 -0.31 -3.80 3.32 -1.93 -1.92 116.42 112.89 1pw6 h ASP 84 Ca 0.06 -0.43 -0.04 0.00 0.02 0.00 0.00 57.03 56.64 1pw6 h ASP 84 Cb 0.79 -0.18 -0.01 0.00 0.22 0.00 0.00 39.33 40.14 1pw6 h ASP 84 CO 0.06 1.20 0.03 0.25 -1.72 0.00 0.00 179.24 179.07 1pw6 h LEU 85 N 0.31 0.50 -0.33 1.55 5.85 -1.30 -2.02 115.31 119.87 1pw6 h LEU 85 Ca -0.06 -0.28 -0.18 0.00 0.84 0.00 0.00 57.88 58.21 1pw6 h LEU 85 Cb 1.44 -0.13 -0.00 0.00 0.37 0.00 0.00 40.66 42.33 1pw6 h LEU 85 CO 0.15 0.66 -0.52 0.40 -0.34 0.00 0.00 178.44 178.79 1pw6 h ILE 86 N 0.33 1.27 -0.20 4.05 1.08 -1.31 -2.79 117.51 119.96 1pw6 h ILE 86 Ca 0.09 -1.70 0.04 0.00 -0.39 0.00 0.00 64.86 62.91 1pw6 h ILE 86 Cb 0.38 1.58 -0.04 0.00 -3.07 0.00 0.00 36.82 35.67 1pw6 h ILE 86 CO 0.01 0.56 -0.09 -1.28 -0.69 0.00 0.00 178.15 176.66 1pw6 h SER 87 N 0.68 -0.30 -0.36 1.72 0.87 -1.30 0.13 113.55 114.99 1pw6 h SER 87 Ca 0.02 0.07 0.05 0.00 -1.23 0.00 0.00 61.79 60.70 1pw6 h SER 87 Cb 1.12 0.17 -0.04 0.00 -0.44 0.00 0.00 62.40 63.21 1pw6 h SER 87 CO 0.12 -0.12 0.11 0.78 -0.53 0.00 0.00 176.83 177.19 1pw6 h ASN 88 N -0.06 0.09 -0.53 6.23 2.35 -1.39 -0.64 115.58 121.63 1pw6 h ASN 88 Ca 0.11 0.05 -0.00 0.00 -0.55 0.00 0.00 56.30 55.90 1pw6 h ASN 88 Cb 0.22 0.04 -0.03 0.00 0.05 0.00 0.00 38.32 38.61 1pw6 h ASN 88 CO -0.24 0.09 0.32 0.40 -1.65 0.00 0.00 177.43 176.36 1pw6 h ILE 89 N 0.25 1.16 -0.35 2.81 2.04 -1.17 -2.18 117.51 120.07 1pw6 h ILE 89 Ca 0.16 -0.35 -0.06 0.00 1.00 0.00 0.00 64.86 65.61 1pw6 h ILE 89 Cb 0.16 0.43 -0.02 0.00 -0.74 0.00 0.00 36.82 36.65 1pw6 h ILE 89 CO -0.18 0.16 -0.06 -1.13 0.00 0.00 0.00 178.15 176.94 1pw6 h ASN 90 N 0.71 0.55 -0.58 1.72 -0.00 -0.50 -0.35 115.58 117.13 1pw6 h ASN 90 Ca 0.19 -0.13 -0.05 0.00 -0.00 0.00 0.00 56.30 56.31 1pw6 h ASN 90 Cb -0.02 -0.14 -0.02 0.00 -0.00 0.00 0.00 38.32 38.13 1pw6 h ASN 90 CO -0.04 0.65 0.16 0.58 -0.00 0.00 0.00 177.43 178.79 1pw6 h VAL 91 N 0.54 1.24 -0.25 2.57 2.07 -0.75 -1.62 116.25 120.05 1pw6 h VAL 91 Ca 0.11 -0.86 -0.06 0.00 0.82 0.00 0.00 66.70 66.71 1pw6 h VAL 91 Cb 0.43 0.70 -0.01 0.00 -1.52 0.00 0.00 31.29 30.90 1pw6 h VAL 91 CO 0.02 0.32 -0.07 0.40 0.02 0.00 0.00 177.57 178.27 1pw6 h ILE 92 N 0.82 1.28 -0.63 4.57 1.08 -1.17 -2.42 117.51 121.04 1pw6 h ILE 92 Ca 0.18 -1.08 0.03 0.00 -0.39 0.00 0.00 64.86 63.60 1pw6 h ILE 92 Cb 0.32 1.48 -0.04 0.00 -3.07 0.00 0.00 36.82 35.51 1pw6 h ILE 92 CO -0.00 0.34 0.39 0.58 -0.69 0.00 0.00 178.15 178.76 1pw6 h VAL 93 N 0.23 1.08 0.00 1.67 2.07 -0.96 -1.32 116.25 119.01 1pw6 h VAL 93 Ca 0.06 -0.26 -0.10 0.00 0.82 0.00 0.00 66.70 67.22 1pw6 h VAL 93 Cb 0.53 0.25 -0.01 0.00 -1.52 0.00 0.00 31.29 30.54 1pw6 h VAL 93 CO 0.03 0.14 -0.48 -0.07 0.02 0.00 0.00 177.57 177.20 1pw6 h LEU 94 N 0.76 0.00 -0.98 2.57 3.38 -1.33 -2.58 115.31 117.13 1pw6 h LEU 94 Ca 0.25 0.00 -0.09 0.00 0.09 0.00 0.00 57.88 58.13 1pw6 h LEU 94 Cb 0.02 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 40.76 1pw6 h LEU 94 CO -0.10 0.48 -0.25 -0.33 0.09 0.00 0.00 178.44 178.33 1pw6 h GLU 95 N 0.00 0.45 0.20 1.13 5.08 -0.81 -2.19 114.58 118.43 1pw6 h GLU 95 Ca -0.00 -0.16 -0.32 0.00 -1.00 0.00 0.00 59.36 57.87 1pw6 h GLU 95 Cb 0.89 -0.03 0.02 0.00 0.50 0.00 0.00 28.75 30.13 1pw6 h GLU 95 CO 0.06 0.66 -1.48 -0.07 -1.00 0.00 0.00 179.01 177.19 1pw6 h LEU 96 N 0.40 0.65 0.00 1.33 3.38 -1.02 -3.38 115.31 116.66 1pw6 h LEU 96 Ca 0.06 -0.75 0.00 0.00 0.09 0.00 0.00 57.88 57.28 1pw6 h LEU 96 Cb 0.65 -0.21 0.00 0.00 0.09 0.00 0.00 40.66 41.19 1pw6 h LEU 96 CO 0.05 1.60 -1.25 2.29 0.09 0.00 0.00 178.44 181.22 1pw6 n LYS 97 N -3.61 1.18 0.00 1.13 2.85 -1.00 -5.00 118.16 113.71 1pw6 n LYS 97 Ca -0.16 -0.08 0.00 0.00 -1.05 0.00 0.00 58.31 57.02 1pw6 n LYS 97 Cb 1.07 -1.29 0.00 0.00 -0.65 0.00 0.00 35.03 34.16 1pw6 n LYS 97 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 177.40 177.76 1pw6 n GLY 98 N 1.50 -2.57 0.01 2.58 0.00 -0.82 -4.69 105.19 101.20 1pw6 n GLY 98 Ca -0.00 -1.65 -0.00 0.00 0.00 0.00 0.00 46.02 44.37 1pw6 n GLY 98 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 1pw6 n SER 99 N -0.39 4.22 -0.17 1.61 3.41 -1.26 -4.71 113.62 116.32 1pw6 n SER 99 Ca 0.00 0.00 -0.09 0.00 -0.26 0.00 0.00 58.87 58.52 1pw6 n SER 99 Cb 0.00 0.85 0.00 0.00 -0.26 0.00 0.00 64.21 64.81 1pw6 n SER 99 CO 0.00 0.00 0.00 1.05 -0.16 0.00 0.00 175.04 175.93 1pw6 h GLU 100 N 0.00 0.82 -5.32 4.33 4.11 -1.99 -3.40 114.58 113.12 1pw6 h GLU 100 Ca -0.05 -0.23 -0.65 0.00 0.07 0.00 0.00 59.36 58.51 1pw6 h GLU 100 Cb 0.70 -0.09 -0.15 0.00 0.50 0.00 0.00 28.75 29.71 1pw6 h GLU 100 CO 0.00 0.82 0.04 0.99 0.07 0.00 0.00 179.01 180.93 1pw6 s THR 101 N -5.17 4.93 -0.02 -1.06 2.01 -1.26 -5.06 115.64 110.02 1pw6 s THR 101 Ca -0.13 0.28 0.01 0.00 0.31 0.00 0.00 61.69 62.17 1pw6 s THR 101 Cb 0.11 -4.07 -0.03 0.00 0.01 0.00 0.00 72.50 68.52 1pw6 s THR 101 CO 0.80 -0.37 -0.02 0.42 -0.69 0.00 0.00 174.62 174.76 1pw6 s THR 102 N 2.58 4.02 0.02 -0.82 -4.23 -1.26 -4.87 115.64 111.07 1pw6 s THR 102 Ca 0.21 -0.58 0.02 0.00 -1.18 0.00 0.00 61.69 60.15 1pw6 s THR 102 Cb -0.15 -2.76 -0.01 0.00 1.34 0.00 0.00 72.50 70.92 1pw6 s THR 102 CO 0.15 0.43 -0.06 -0.36 -0.54 0.00 0.00 174.62 174.25 1pw6 s PHE 103 N -1.01 0.49 -0.16 3.99 0.40 -1.26 -5.12 117.98 115.30 1pw6 s PHE 103 Ca 0.17 -0.30 -0.28 0.00 -0.60 0.00 0.00 56.93 55.93 1pw6 s PHE 103 Cb -0.11 -0.30 -0.01 0.00 0.51 0.00 0.00 43.02 43.11 1pw6 s PHE 103 CO 0.08 -0.06 0.96 1.41 0.70 0.00 0.00 175.22 178.30 1pw6 s MET 104 N -0.86 4.33 -0.08 0.44 -2.45 -1.26 -4.97 119.30 114.45 1pw6 s MET 104 Ca -0.05 1.25 -0.24 0.00 -1.25 0.00 0.00 55.69 55.40 1pw6 s MET 104 Cb -0.06 -3.58 -0.03 0.00 1.25 0.00 0.00 34.83 32.41 1pw6 s MET 104 CO -0.00 -0.41 0.74 0.00 1.05 0.00 0.00 175.02 176.40 1pw6 s GLU 106 N 1.08 4.27 -0.01 0.00 2.02 -1.26 -5.03 118.70 119.77 1pw6 s GLU 106 Ca 0.38 0.66 -0.02 0.00 0.02 0.00 0.00 54.97 56.02 1pw6 s GLU 106 Cb -0.18 -3.54 -0.04 0.00 0.10 0.00 0.00 34.13 30.47 1pw6 s GLU 106 CO 0.18 -0.15 0.13 0.71 0.02 0.00 0.00 175.26 176.14 1pw6 s TYR 107 N 1.60 3.41 0.77 1.61 2.02 -1.26 -1.20 117.35 124.30 1pw6 s TYR 107 Ca 0.30 0.28 -0.12 0.00 -0.37 0.00 0.00 57.07 57.16 1pw6 s TYR 107 Cb -0.16 -1.78 0.06 0.00 -0.40 0.00 0.00 41.96 39.68 1pw6 s TYR 107 CO 0.12 0.60 1.12 0.00 -1.57 0.00 0.00 175.55 175.82 1pw6 s ALA 108 N -1.25 2.13 0.26 3.71 0.00 0.06 -4.54 121.76 122.13 1pw6 s ALA 108 Ca 0.25 0.48 0.05 0.00 0.00 0.00 0.00 51.96 52.73 1pw6 s ALA 108 Cb -0.12 -3.34 0.33 0.00 0.00 0.00 0.00 23.12 19.99 1pw6 s ALA 108 CO 0.16 -1.87 1.62 -0.44 0.00 0.00 0.00 175.76 175.24 1pw6 h ASP 109 N -0.90 0.30 -2.80 0.00 3.32 -1.96 -3.44 116.42 110.93 1pw6 h ASP 109 Ca -0.45 -0.15 -0.67 0.00 0.02 0.00 0.00 57.03 55.79 1pw6 h ASP 109 Cb 1.25 -0.08 -0.08 0.00 0.22 0.00 0.00 39.33 40.63 1pw6 h ASP 109 CO 0.50 0.75 -0.51 -1.61 -1.72 0.00 0.00 179.24 176.65 1pw6 s GLU 110 N -3.97 3.34 0.90 3.56 0.41 -1.26 -5.12 118.70 116.55 1pw6 s GLU 110 Ca -0.05 -0.22 -0.11 0.00 -0.41 0.00 0.00 54.97 54.19 1pw6 s GLU 110 Cb 0.13 -3.09 0.19 0.00 -1.78 0.00 0.00 34.13 29.57 1pw6 s GLU 110 CO 0.79 0.75 1.23 0.95 -0.49 0.00 0.00 175.26 178.49 1pw6 s THR 111 N -1.04 2.02 0.26 3.63 -4.23 -1.26 -4.53 115.64 110.49 1pw6 s THR 111 Ca 0.16 -0.21 -0.09 0.00 -1.18 0.00 0.00 61.69 60.37 1pw6 s THR 111 Cb -0.12 -2.81 -0.01 0.00 1.34 0.00 0.00 72.50 70.90 1pw6 s THR 111 CO 0.06 0.00 0.43 0.00 -0.54 0.00 0.00 174.62 174.57 1pw6 s ALA 112 N -3.66 0.13 0.87 3.99 0.00 -0.70 -4.89 121.76 117.50 1pw6 s ALA 112 Ca 0.73 -1.11 -0.13 0.00 0.00 0.00 0.00 51.96 51.45 1pw6 s ALA 112 Cb -0.04 1.13 0.12 0.00 0.00 0.00 0.00 23.12 24.33 1pw6 s ALA 112 CO 0.50 -0.81 1.17 0.95 0.00 0.00 0.00 175.76 177.58 1pw6 s THR 113 N -3.84 1.99 0.50 0.00 -4.23 -1.26 -0.31 115.64 108.48 1pw6 s THR 113 Ca 0.26 0.00 0.20 0.00 -1.18 0.00 0.00 61.69 60.97 1pw6 s THR 113 Cb 0.00 -2.89 0.26 0.00 1.34 0.00 0.00 72.50 71.21 1pw6 s THR 113 CO 0.11 0.00 2.11 -0.29 -0.54 0.00 0.00 174.62 176.02 1pw6 h ILE 114 N -1.30 0.90 0.12 2.99 2.10 -1.83 -1.80 117.51 118.68 1pw6 h ILE 114 Ca -0.48 -0.25 -0.01 0.00 1.08 0.00 0.00 64.86 65.20 1pw6 h ILE 114 Cb 1.32 1.14 0.00 0.00 -1.09 0.00 0.00 36.82 38.20 1pw6 h ILE 114 CO 0.62 0.07 -0.06 0.58 -1.08 0.00 0.00 178.15 178.28 1pw6 h VAL 115 N 0.00 1.06 -0.32 2.19 2.07 -1.96 -1.14 116.25 118.16 1pw6 h VAL 115 Ca -0.00 -0.89 -0.10 0.00 0.82 0.00 0.00 66.70 66.53 1pw6 h VAL 115 Cb 0.14 1.61 -0.01 0.00 -1.52 0.00 0.00 31.29 31.50 1pw6 h VAL 115 CO 0.01 0.21 -0.23 -0.33 0.02 0.00 0.00 177.57 177.24 1pw6 h GLU 116 N -0.59 0.62 0.10 1.57 3.07 -1.92 -0.73 114.58 116.70 1pw6 h GLU 116 Ca -0.02 -0.24 -0.00 0.00 -0.50 0.00 0.00 59.36 58.60 1pw6 h GLU 116 Cb 0.46 -0.03 -0.00 0.00 -0.84 0.00 0.00 28.75 28.34 1pw6 h GLU 116 CO 0.03 0.80 -0.07 0.35 -1.40 0.00 0.00 179.01 178.72 1pw6 h PHE 117 N 0.55 -0.19 -0.58 4.33 3.57 -1.34 0.13 116.94 123.41 1pw6 h PHE 117 Ca 0.08 -0.00 -0.10 0.00 3.53 0.00 0.00 57.97 61.48 1pw6 h PHE 117 Cb 0.69 0.07 -0.02 0.00 2.79 0.00 0.00 35.95 39.48 1pw6 h PHE 117 CO 0.03 -0.12 -0.04 -0.07 -2.23 0.00 0.00 178.31 175.89 1pw6 h LEU 118 N -0.18 1.03 -0.74 0.59 3.38 -1.08 -2.99 115.31 115.32 1pw6 h LEU 118 Ca -0.00 -0.31 -0.08 0.00 0.09 0.00 0.00 57.88 57.58 1pw6 h LEU 118 Cb 0.16 -0.28 -0.02 0.00 0.09 0.00 0.00 40.66 40.61 1pw6 h LEU 118 CO -0.00 1.10 0.07 0.78 0.09 0.00 0.00 178.44 180.48 1pw6 h ASN 119 N 0.95 0.99 -0.81 -0.43 -0.26 -1.02 -1.55 115.58 113.46 1pw6 h ASN 119 Ca 0.16 -0.24 0.04 0.00 -0.56 0.00 0.00 56.30 55.70 1pw6 h ASN 119 Cb 0.59 -0.26 -0.05 0.00 -1.06 0.00 0.00 38.32 37.54 1pw6 h ASN 119 CO 0.04 1.00 0.51 -0.09 -1.06 0.00 0.00 177.43 177.83 1pw6 h ARG 120 N 0.96 0.94 0.03 0.81 9.65 -0.83 0.12 114.38 126.07 1pw6 h ARG 120 Ca 0.19 -0.06 -0.22 0.00 -1.10 0.00 0.00 59.98 58.79 1pw6 h ARG 120 Cb 0.45 -0.21 -0.02 0.00 -1.39 0.00 0.00 29.97 28.81 1pw6 h ARG 120 CO 0.02 0.63 -1.00 -1.49 2.80 0.00 0.00 179.97 180.92 1pw6 h TRP 121 N 0.97 0.20 0.21 2.20 4.06 -1.42 -1.00 115.95 121.17 1pw6 h TRP 121 Ca 0.33 -0.13 -0.01 0.00 2.06 0.00 0.00 58.89 61.14 1pw6 h TRP 121 Cb 0.06 -0.01 -0.00 0.00 -1.00 0.00 0.00 29.16 28.20 1pw6 h TRP 121 CO -0.03 1.04 -0.13 0.82 -3.56 0.00 0.00 178.44 176.58 1pw6 h ILE 122 N 0.05 0.73 -0.82 1.49 2.04 -1.00 -1.50 117.51 118.50 1pw6 h ILE 122 Ca -0.05 0.00 0.02 0.00 1.00 0.00 0.00 64.86 65.83 1pw6 h ILE 122 Cb 1.70 0.73 -0.04 0.00 -0.74 0.00 0.00 36.82 38.47 1pw6 h ILE 122 CO 0.15 0.00 0.54 0.74 0.00 0.00 0.00 178.15 179.58 1pw6 h THR 123 N -0.33 1.18 -0.10 -0.27 2.02 -0.96 -2.45 112.91 112.00 1pw6 h THR 123 Ca -0.02 -0.37 0.02 0.00 0.77 0.00 0.00 66.41 66.81 1pw6 h THR 123 Cb 0.27 0.01 -0.02 0.00 -1.74 0.00 0.00 68.15 66.67 1pw6 h THR 123 CO 0.02 0.20 -0.02 0.15 0.37 0.00 0.00 175.52 176.24 1pw6 h PHE 124 N 1.08 -0.04 -0.45 3.16 3.57 -0.82 0.11 116.94 123.54 1pw6 h PHE 124 Ca 0.31 0.01 0.02 0.00 3.53 0.00 0.00 57.97 61.84 1pw6 h PHE 124 Cb -0.07 0.03 -0.03 0.00 2.79 0.00 0.00 35.95 38.67 1pw6 h PHE 124 CO -0.00 -0.04 0.27 0.00 -2.23 0.00 0.00 178.31 176.31 1pw6 h GLN 126 N 0.54 -0.05 -0.76 0.00 4.20 -1.14 0.13 115.11 118.04 1pw6 h GLN 126 Ca 0.18 0.00 0.07 0.00 0.06 0.00 0.00 58.65 58.97 1pw6 h GLN 126 Cb 0.01 0.01 -0.06 0.00 0.30 0.00 0.00 27.48 27.73 1pw6 h GLN 126 CO -0.08 -0.03 0.43 1.03 -0.67 0.00 0.00 178.83 179.51 1pw6 h SER 127 N -0.05 0.64 -0.17 1.46 0.87 -0.37 0.12 113.55 116.05 1pw6 h SER 127 Ca 0.10 0.03 -0.12 0.00 -1.23 0.00 0.00 61.79 60.58 1pw6 h SER 127 Cb 0.20 -0.09 0.00 0.00 -0.44 0.00 0.00 62.40 62.07 1pw6 h SER 127 CO -0.22 0.40 -0.35 0.40 -0.53 0.00 0.00 176.83 176.53 1pw6 h ILE 128 N 0.77 1.34 -0.80 2.23 1.08 -0.90 -2.67 117.51 118.58 1pw6 h ILE 128 Ca 0.35 -1.59 0.12 0.00 -0.39 0.00 0.00 64.86 63.35 1pw6 h ILE 128 Cb 0.25 1.93 -0.08 0.00 -3.07 0.00 0.00 36.82 35.85 1pw6 h ILE 128 CO -0.21 0.48 0.41 0.40 -0.69 0.00 0.00 178.15 178.55 1pw6 h ILE 129 N 0.19 0.80 -0.34 -0.67 2.04 -0.19 -1.87 117.51 117.47 1pw6 h ILE 129 Ca 0.01 -0.22 0.01 0.00 1.00 0.00 0.00 64.86 65.65 1pw6 h ILE 129 Cb 0.94 0.10 -0.02 0.00 -0.74 0.00 0.00 36.82 37.10 1pw6 h ILE 129 CO 0.08 0.12 0.21 -1.28 0.00 0.00 0.00 178.15 177.28 1pw6 h SER 130 N 0.65 0.35 -0.60 1.72 0.87 -0.76 -2.83 113.55 112.94 1pw6 h SER 130 Ca 0.41 -0.00 -0.10 0.00 -1.23 0.00 0.00 61.79 60.87 1pw6 h SER 130 Cb 0.50 -0.08 -0.02 0.00 -0.44 0.00 0.00 62.40 62.36 1pw6 h SER 130 CO -0.31 0.25 -0.03 0.71 -0.53 0.00 0.00 176.83 176.93 1pw6 h THR 131 N 0.43 1.27 -0.43 2.23 1.35 -0.99 -2.66 112.91 114.09 1pw6 h THR 131 Ca 0.13 -1.19 -0.05 0.00 -0.55 0.00 0.00 66.41 64.75 1pw6 h THR 131 Cb -0.02 0.83 -0.03 0.00 -1.73 0.00 0.00 68.15 67.20 1pw6 h THR 131 CO -0.05 0.43 0.07 0.00 -0.25 0.00 0.00 175.52 175.72 1pw6 n LEU 132 N -4.17 4.43 -0.92 3.87 -0.00 -0.89 -5.12 117.00 114.20 1pw6 n LEU 132 Ca 0.03 -2.26 0.12 0.00 -0.00 0.00 0.00 56.01 53.90 1pw6 n LEU 132 Cb 0.36 -0.64 0.14 0.00 -0.00 0.00 0.00 43.42 43.28 1pw6 n LEU 132 CO 0.45 0.56 0.65 1.07 -0.00 0.00 0.00 177.39 180.12