#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1pb6 h VAL 15 N 0.00 1.31 -0.01 0.00 2.07 -2.05 -0.35 116.25 117.23 1pb6 h VAL 15 Ca 0.00 -2.03 -0.17 0.00 0.82 0.00 0.00 66.70 65.32 1pb6 h VAL 15 Cb 0.00 2.02 -0.02 0.00 -1.52 0.00 0.00 31.29 31.78 1pb6 h VAL 15 CO 0.00 0.63 -0.78 0.77 0.02 0.00 0.00 177.57 178.21 1pb6 h SER 16 N 0.45 0.16 0.17 0.57 4.64 -2.05 -2.44 113.55 115.06 1pb6 h SER 16 Ca -0.04 -0.12 -0.17 0.00 -0.47 0.00 0.00 61.79 60.99 1pb6 h SER 16 Cb 1.37 -0.05 -0.01 0.00 -0.31 0.00 0.00 62.40 63.41 1pb6 h SER 16 CO 0.15 0.87 -0.63 0.00 -0.87 0.00 0.00 176.83 176.35 1pb6 h ALA 17 N 1.12 0.69 -0.11 5.18 0.00 -1.98 -1.64 119.26 122.51 1pb6 h ALA 17 Ca -0.02 -0.55 -0.18 0.00 0.00 0.00 0.00 54.91 54.16 1pb6 h ALA 17 Cb 1.37 -0.07 -0.00 0.00 0.00 0.00 0.00 17.79 19.08 1pb6 h ALA 17 CO 0.11 0.72 -0.68 -0.22 0.00 0.00 0.00 179.25 179.18 1pb6 h LYS 18 N 0.32 0.46 -0.07 0.00 3.64 -1.03 -2.76 116.57 117.13 1pb6 h LYS 18 Ca -0.01 -0.35 -0.19 0.00 -1.27 0.00 0.00 60.65 58.83 1pb6 h LYS 18 Cb 1.17 0.07 -0.00 0.00 -0.41 0.00 0.00 32.23 33.05 1pb6 h LYS 18 CO 0.11 0.98 -0.75 0.87 -2.27 0.00 0.00 179.45 178.39 1pb6 h LYS 19 N 0.33 0.40 -0.26 1.90 1.57 -1.42 -2.64 116.57 116.45 1pb6 h LYS 19 Ca -0.02 -0.34 -0.09 0.00 -1.87 0.00 0.00 60.65 58.33 1pb6 h LYS 19 Cb 1.25 0.07 -0.01 0.00 0.08 0.00 0.00 32.23 33.62 1pb6 h LYS 19 CO 0.12 0.98 -0.20 0.87 -0.57 0.00 0.00 179.45 180.65 1pb6 h LYS 20 N 0.27 0.48 -0.56 3.15 1.57 -1.31 -0.13 116.57 120.04 1pb6 h LYS 20 Ca -0.04 -0.16 -0.09 0.00 -1.87 0.00 0.00 60.65 58.49 1pb6 h LYS 20 Cb 1.33 -0.04 -0.02 0.00 0.08 0.00 0.00 32.23 33.59 1pb6 h LYS 20 CO 0.13 0.66 -0.00 0.00 -0.57 0.00 0.00 179.45 179.67 1pb6 h ALA 21 N 1.35 0.76 -0.24 3.86 0.00 -1.43 0.40 119.26 123.96 1pb6 h ALA 21 Ca 0.07 -0.30 -0.19 0.00 0.00 0.00 0.00 54.91 54.49 1pb6 h ALA 21 Cb 0.60 -0.21 0.00 0.00 0.00 0.00 0.00 17.79 18.19 1pb6 h ALA 21 CO 0.04 0.59 -0.61 0.82 0.00 0.00 0.00 179.25 180.09 1pb6 h ILE 22 N 0.88 1.28 0.00 0.00 2.04 -1.22 -1.81 117.51 118.68 1pb6 h ILE 22 Ca 0.16 -1.80 -0.11 0.00 1.00 0.00 0.00 64.86 64.10 1pb6 h ILE 22 Cb 0.55 1.73 -0.02 0.00 -0.74 0.00 0.00 36.82 38.34 1pb6 h ILE 22 CO 0.03 0.58 -0.53 -0.07 0.00 0.00 0.00 178.15 178.16 1pb6 h LEU 23 N 0.61 0.00 0.15 1.44 3.38 -0.92 0.18 115.31 120.15 1pb6 h LEU 23 Ca -0.00 0.00 -0.01 0.00 0.09 0.00 0.00 57.88 57.96 1pb6 h LEU 23 Cb 1.21 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.97 1pb6 h LEU 23 CO 0.13 0.53 -0.07 -1.28 0.09 0.00 0.00 178.44 177.84 1pb6 h SER 24 N 0.00 -0.17 -0.66 -0.43 0.87 -0.88 -2.17 113.55 110.11 1pb6 h SER 24 Ca -0.01 -0.37 0.05 0.00 -1.23 0.00 0.00 61.79 60.23 1pb6 h SER 24 Cb 0.98 0.04 -0.05 0.00 -0.44 0.00 0.00 62.40 62.93 1pb6 h SER 24 CO 0.07 0.35 0.39 0.00 -0.53 0.00 0.00 176.83 177.11 1pb6 h ALA 25 N -0.11 0.87 -0.20 6.23 0.00 -1.29 -1.56 119.26 123.21 1pb6 h ALA 25 Ca -0.02 0.00 -0.00 0.00 0.00 0.00 0.00 54.91 54.89 1pb6 h ALA 25 Cb 0.53 -0.16 -0.01 0.00 0.00 0.00 0.00 17.79 18.15 1pb6 h ALA 25 CO 0.03 0.10 0.11 0.00 0.00 0.00 0.00 179.25 179.49 1pb6 h ALA 26 N 1.32 1.83 0.03 0.00 0.00 -0.64 -2.17 119.26 119.63 1pb6 h ALA 26 Ca 0.28 -0.03 -0.00 0.00 0.00 0.00 0.00 54.91 55.16 1pb6 h ALA 26 Cb 0.11 -0.08 0.00 0.00 0.00 0.00 0.00 17.79 17.82 1pb6 h ALA 26 CO -0.15 0.15 -0.01 1.25 0.00 0.00 0.00 179.25 180.49 1pb6 h LEU 27 N 0.27 -0.03 -0.89 0.00 5.85 -0.62 -1.07 115.31 118.82 1pb6 h LEU 27 Ca 0.07 -0.44 0.11 0.00 0.84 0.00 0.00 57.88 58.46 1pb6 h LEU 27 Cb -0.00 0.01 -0.08 0.00 0.37 0.00 0.00 40.66 40.96 1pb6 h LEU 27 CO -0.01 0.43 0.53 0.44 -0.34 0.00 0.00 178.44 179.48 1pb6 h ASP 28 N -0.49 0.76 0.08 1.25 5.19 -1.13 -1.39 116.42 120.69 1pb6 h ASP 28 Ca -0.00 0.05 -0.14 0.00 -0.62 0.00 0.00 57.03 56.31 1pb6 h ASP 28 Cb 0.46 -0.10 0.02 0.00 0.18 0.00 0.00 39.33 39.89 1pb6 h ASP 28 CO 0.01 0.42 -0.61 0.74 -3.12 0.00 0.00 179.24 176.67 1pb6 h THR 29 N 0.86 1.54 -0.71 0.35 2.02 -1.45 -2.95 112.91 112.57 1pb6 h THR 29 Ca 0.44 -2.38 -0.01 0.00 0.77 0.00 0.00 66.41 65.23 1pb6 h THR 29 Cb 0.42 3.08 -0.03 0.00 -1.74 0.00 0.00 68.15 69.88 1pb6 h THR 29 CO -0.26 0.67 0.40 -0.26 0.37 0.00 0.00 175.52 176.44 1pb6 h PHE 30 N -0.42 0.96 -0.25 3.16 0.05 -1.11 0.17 116.94 119.51 1pb6 h PHE 30 Ca -0.10 -0.02 -0.11 0.00 3.82 0.00 0.00 57.97 61.56 1pb6 h PHE 30 Cb 1.44 -0.31 -0.01 0.00 2.00 0.00 0.00 35.95 39.07 1pb6 h PHE 30 CO 0.20 0.67 -0.32 0.66 -0.18 0.00 0.00 178.31 179.34 1pb6 h SER 31 N 0.97 0.53 1.41 2.17 4.64 -1.39 0.86 113.55 122.74 1pb6 h SER 31 Ca 0.25 -0.21 -0.05 0.00 -0.47 0.00 0.00 61.79 61.31 1pb6 h SER 31 Cb 0.02 -0.15 -0.01 0.00 -0.31 0.00 0.00 62.40 61.95 1pb6 h SER 31 CO -0.04 0.82 -0.61 1.56 -0.87 0.00 0.00 176.83 177.69 1pb6 h GLN 32 N 0.44 0.00 0.00 4.77 1.08 -1.28 -3.37 115.11 116.76 1pb6 h GLN 32 Ca 0.05 0.00 0.00 0.00 -1.45 0.00 0.00 58.65 57.25 1pb6 h GLN 32 Cb 0.77 0.00 0.00 0.00 -0.05 0.00 0.00 27.48 28.20 1pb6 h GLN 32 CO 0.06 0.18 0.00 1.19 -0.95 0.00 0.00 178.83 179.31 1pb6 n PHE 33 N -2.99 0.00 -0.70 2.96 3.01 0.58 -5.07 117.46 115.24 1pb6 n PHE 33 Ca 0.00 -0.00 0.09 0.00 1.01 0.00 0.00 57.45 58.55 1pb6 n PHE 33 Cb 0.64 -0.00 -0.03 0.00 -0.01 0.00 0.00 39.48 40.07 1pb6 n PHE 33 CO 0.00 0.00 0.00 0.41 1.01 0.00 0.00 176.76 178.18 1pb6 n GLY 34 N -0.00 -2.35 0.22 1.37 0.00 0.30 -3.02 105.19 101.70 1pb6 n GLY 34 Ca 0.00 -1.30 -0.08 0.00 0.00 0.00 0.00 46.02 44.64 1pb6 n GLY 34 CO 0.00 0.00 0.00 -2.75 0.00 0.00 0.00 173.32 170.57 1pb6 h PHE 35 N -0.68 -0.56 0.00 1.61 3.57 -1.92 -2.14 116.94 116.82 1pb6 h PHE 35 Ca -0.05 -0.00 -0.01 0.00 3.53 0.00 0.00 57.97 61.44 1pb6 h PHE 35 Cb 0.66 0.20 -0.00 0.00 2.79 0.00 0.00 35.95 39.60 1pb6 h PHE 35 CO 0.01 -0.31 -0.03 0.45 -2.23 0.00 0.00 178.31 176.20 1pb6 h HIS 36 N -0.50 0.00 0.00 0.41 3.86 -1.97 -2.49 115.15 114.46 1pb6 h HIS 36 Ca -0.04 0.00 0.00 0.00 -1.16 0.00 0.00 60.37 59.17 1pb6 h HIS 36 Cb 0.41 0.00 0.00 0.00 1.06 0.00 0.00 27.41 28.88 1pb6 h HIS 36 CO 0.00 0.03 -0.49 0.41 0.86 0.00 0.00 177.93 178.74 1pb6 n GLY 37 N -0.95 -1.43 3.85 2.45 0.00 -1.17 -4.91 105.19 103.02 1pb6 n GLY 37 Ca -0.02 -0.23 -0.33 0.00 0.00 0.00 0.00 46.02 45.44 1pb6 n GLY 37 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1pb6 s THR 38 N -3.13 4.71 -0.06 2.61 2.01 -0.81 -4.89 115.64 116.08 1pb6 s THR 38 Ca 0.08 0.93 0.06 0.00 0.31 0.00 0.00 61.69 63.06 1pb6 s THR 38 Cb 0.14 -3.67 -0.01 0.00 0.01 0.00 0.00 72.50 68.97 1pb6 s THR 38 CO 0.69 -0.05 -0.24 -0.13 -0.69 0.00 0.00 174.62 174.20 1pb6 s ARG 39 N -2.66 2.54 0.47 4.92 0.52 -1.26 -5.00 118.95 118.47 1pb6 s ARG 39 Ca 0.49 -0.88 0.20 0.00 -0.52 0.00 0.00 55.73 55.02 1pb6 s ARG 39 Cb -0.12 -2.13 1.19 0.00 0.52 0.00 0.00 34.95 34.41 1pb6 s ARG 39 CO 0.19 0.35 1.94 -0.07 0.02 0.00 0.00 175.30 177.73 1pb6 h LEU 40 N 6.15 0.25 -1.41 2.53 4.07 -1.98 0.40 115.31 125.31 1pb6 h LEU 40 Ca -0.31 0.01 0.09 0.00 0.08 0.00 0.00 57.88 57.76 1pb6 h LEU 40 Cb 1.18 -0.03 -0.05 0.00 1.08 0.00 0.00 40.66 42.84 1pb6 h LEU 40 CO 0.47 0.13 0.49 -0.33 -1.08 0.00 0.00 178.44 178.11 1pb6 h GLU 41 N 0.26 0.66 -0.21 1.13 3.07 -1.97 0.45 114.58 117.97 1pb6 h GLU 41 Ca 0.34 -0.04 -0.11 0.00 -0.50 0.00 0.00 59.36 59.05 1pb6 h GLU 41 Cb 0.96 -0.15 -0.00 0.00 -0.84 0.00 0.00 28.75 28.72 1pb6 h GLU 41 CO -0.08 0.44 -0.30 1.96 -1.40 0.00 0.00 179.01 179.63 1pb6 h GLN 42 N 0.68 0.58 -0.29 2.33 4.20 -0.61 -1.45 115.11 120.55 1pb6 h GLN 42 Ca 0.33 -0.34 -0.06 0.00 0.06 0.00 0.00 58.65 58.64 1pb6 h GLN 42 Cb 0.41 0.03 -0.01 0.00 0.30 0.00 0.00 27.48 28.21 1pb6 h GLN 42 CO -0.12 0.94 -0.07 0.82 -0.67 0.00 0.00 178.83 179.74 1pb6 h ILE 43 N 0.26 1.28 0.20 2.54 2.04 -1.25 0.21 117.51 122.79 1pb6 h ILE 43 Ca 0.02 -1.09 0.00 0.00 1.00 0.00 0.00 64.86 64.79 1pb6 h ILE 43 Cb 0.88 1.40 -0.02 0.00 -0.74 0.00 0.00 36.82 38.34 1pb6 h ILE 43 CO 0.07 0.35 -0.21 0.00 0.00 0.00 0.00 178.15 178.36 1pb6 h ALA 44 N 0.79 -0.41 -0.25 1.87 0.00 -0.99 0.77 119.26 121.03 1pb6 h ALA 44 Ca 0.07 -0.06 0.05 0.00 0.00 0.00 0.00 54.91 54.97 1pb6 h ALA 44 Cb 0.55 0.30 -0.04 0.00 0.00 0.00 0.00 17.79 18.59 1pb6 h ALA 44 CO 0.03 -0.76 -0.03 1.49 0.00 0.00 0.00 179.25 179.98 1pb6 h GLU 45 N -0.44 0.04 0.06 0.00 4.81 -1.23 0.13 114.58 117.95 1pb6 h GLU 45 Ca 0.00 -0.00 -0.00 0.00 -0.13 0.00 0.00 59.36 59.23 1pb6 h GLU 45 Cb 0.42 -0.01 0.00 0.00 0.63 0.00 0.00 28.75 29.79 1pb6 h GLU 45 CO -0.05 0.03 -0.03 1.25 -0.73 0.00 0.00 179.01 179.47 1pb6 h LEU 46 N 0.04 -0.07 -2.16 1.64 6.46 -0.62 -2.74 115.31 117.87 1pb6 h LEU 46 Ca 0.12 -0.05 -0.01 0.00 -0.12 0.00 0.00 57.88 57.82 1pb6 h LEU 46 Cb 0.17 0.02 -0.00 0.00 -0.73 0.00 0.00 40.66 40.12 1pb6 h LEU 46 CO -0.23 0.01 -0.05 0.00 -0.62 0.00 0.00 178.44 177.55 1pb6 h ALA 47 N 0.80 1.56 0.00 1.25 0.00 0.88 -3.46 119.26 120.29 1pb6 h ALA 47 Ca -0.01 -0.05 0.00 0.00 0.00 0.00 0.00 54.91 54.85 1pb6 h ALA 47 Cb 0.12 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 17.90 1pb6 h ALA 47 CO 0.01 0.07 0.00 0.41 0.00 0.00 0.00 179.25 179.74 1pb6 n GLY 48 N -1.16 0.71 3.75 0.00 0.00 0.30 -4.89 105.19 103.90 1pb6 n GLY 48 Ca -0.03 -0.46 -0.32 0.00 0.00 0.00 0.00 46.02 45.21 1pb6 n GLY 48 CO 0.00 0.00 0.00 -1.34 0.00 0.00 0.00 173.32 171.98 1pb6 s VAL 49 N -2.00 1.28 0.14 1.61 -7.23 -0.32 -5.01 120.40 108.87 1pb6 s VAL 49 Ca 0.00 -1.98 -0.00 0.00 -1.81 0.00 0.00 61.98 58.19 1pb6 s VAL 49 Cb 0.00 -2.26 -0.04 0.00 0.56 0.00 0.00 36.38 34.64 1pb6 s VAL 49 CO 0.00 0.00 0.31 -0.44 -0.31 0.00 0.00 175.10 174.66 1pb6 s SER 50 N -3.87 6.38 0.38 4.85 0.01 -1.26 -3.94 113.70 116.25 1pb6 s SER 50 Ca 0.10 0.33 0.13 0.00 1.31 0.00 0.00 55.95 57.83 1pb6 s SER 50 Cb 0.02 -1.98 0.96 0.00 0.21 0.00 0.00 66.02 65.23 1pb6 s SER 50 CO 0.05 0.05 1.82 0.50 0.41 0.00 0.00 173.24 176.07 1pb6 h LYS 51 N 2.43 0.52 -0.52 12.44 3.64 -1.92 0.91 116.57 134.08 1pb6 h LYS 51 Ca -0.47 -0.03 -0.11 0.00 -1.27 0.00 0.00 60.65 58.77 1pb6 h LYS 51 Cb 1.18 -0.12 -0.02 0.00 -0.41 0.00 0.00 32.23 32.86 1pb6 h LYS 51 CO 0.71 0.35 -0.11 1.15 -2.27 0.00 0.00 179.45 179.28 1pb6 h THR 52 N 0.54 1.27 -0.33 1.00 2.02 -1.97 0.29 112.91 115.73 1pb6 h THR 52 Ca 0.52 -1.25 -0.16 0.00 0.77 0.00 0.00 66.41 66.29 1pb6 h THR 52 Cb 1.10 0.98 -0.00 0.00 -1.74 0.00 0.00 68.15 68.49 1pb6 h THR 52 CO -0.26 0.44 -0.43 -1.13 0.37 0.00 0.00 175.52 174.51 1pb6 h ASN 53 N 0.86 0.94 0.07 4.18 -1.24 -1.40 -1.93 115.58 117.07 1pb6 h ASN 53 Ca 0.14 -0.50 0.02 0.00 0.71 0.00 0.00 56.30 56.67 1pb6 h ASN 53 Cb 0.66 -0.27 -0.03 0.00 0.73 0.00 0.00 38.32 39.41 1pb6 h ASN 53 CO 0.05 1.26 -0.21 0.25 -1.29 0.00 0.00 177.43 177.49 1pb6 h LEU 54 N 0.66 -0.59 -0.53 0.34 6.46 -0.66 0.47 115.31 121.46 1pb6 h LEU 54 Ca 0.04 0.07 0.00 0.00 -0.12 0.00 0.00 57.88 57.87 1pb6 h LEU 54 Cb 1.03 0.23 0.00 0.00 -0.73 0.00 0.00 40.66 41.19 1pb6 h LEU 54 CO 0.10 -0.28 0.00 0.18 -0.62 0.00 0.00 178.44 177.82 1pb6 n LEU 55 N -5.33 0.24 -0.03 2.25 4.77 1.00 -2.08 117.00 117.82 1pb6 n LEU 55 Ca -0.06 0.60 -0.13 0.00 -0.03 0.00 0.00 56.01 56.39 1pb6 n LEU 55 Cb 0.25 -0.62 -0.10 0.00 -2.33 0.00 0.00 43.42 40.62 1pb6 n LEU 55 CO 0.26 -0.62 0.58 0.22 -1.33 0.00 0.00 177.39 176.49 1pb6 h TYR 56 N 0.00 0.03 0.07 -1.77 5.03 -0.08 -3.07 116.97 117.19 1pb6 h TYR 56 Ca 0.00 -0.01 -0.25 0.00 2.58 0.00 0.00 58.73 61.05 1pb6 h TYR 56 Cb 0.06 -0.00 -0.01 0.00 1.55 0.00 0.00 36.73 38.33 1pb6 h TYR 56 CO 0.00 0.62 -1.13 1.88 -1.32 0.00 0.00 178.16 178.21 1pb6 h TYR 57 N -0.57 0.30 -3.05 -3.82 0.05 -1.42 -3.41 116.97 105.05 1pb6 h TYR 57 Ca -0.00 -0.22 -0.58 0.00 0.05 0.00 0.00 58.73 57.98 1pb6 h TYR 57 Cb 0.62 -0.01 -0.40 0.00 1.01 0.00 0.00 36.73 37.94 1pb6 h TYR 57 CO 0.14 1.16 -0.76 -0.06 -1.05 0.00 0.00 178.16 177.58 1pb6 s PHE 58 N -2.72 1.51 -1.06 4.88 0.40 -0.88 -5.03 117.98 115.08 1pb6 s PHE 58 Ca -0.02 -1.71 0.00 0.00 -0.60 0.00 0.00 56.93 54.60 1pb6 s PHE 58 Cb 0.08 -1.59 0.00 0.00 0.51 0.00 0.00 43.02 42.03 1pb6 s PHE 58 CO 0.86 -0.86 0.74 -0.35 0.70 0.00 0.00 175.22 176.31 1pb6 n PRO 59 N 4.69 0.00 -3.76 0.24 -0.04 -1.16 -3.90 135.00 131.07 1pb6 n PRO 59 Ca -0.00 0.27 -0.07 0.00 -0.04 0.00 0.00 63.50 63.66 1pb6 n PRO 59 Cb 0.41 -1.57 -0.02 0.00 -0.04 0.00 0.00 33.50 32.28 1pb6 n PRO 59 CO 0.00 0.00 0.00 -1.54 -0.04 0.00 0.00 175.50 173.92 1pb6 s SER 60 N -2.49 -0.29 0.17 3.54 1.04 -1.26 -5.00 113.70 109.42 1pb6 s SER 60 Ca 0.00 -0.45 -0.10 0.00 0.48 0.00 0.00 55.95 55.88 1pb6 s SER 60 Cb 0.00 0.64 0.04 0.00 0.10 0.00 0.00 66.02 66.80 1pb6 s SER 60 CO 0.00 -1.16 1.60 0.50 0.98 0.00 0.00 173.24 175.16 1pb6 h LYS 61 N 2.00 1.05 -0.71 4.02 3.64 -1.99 -1.63 116.57 122.95 1pb6 h LYS 61 Ca -0.22 -0.39 -0.01 0.00 -1.27 0.00 0.00 60.65 58.76 1pb6 h LYS 61 Cb 1.25 -0.07 -0.03 0.00 -0.41 0.00 0.00 32.23 32.97 1pb6 h LYS 61 CO 0.26 1.08 0.40 1.49 -2.27 0.00 0.00 179.45 180.42 1pb6 h GLU 62 N 0.94 0.98 -0.20 1.90 4.81 -1.97 0.27 114.58 121.31 1pb6 h GLU 62 Ca 0.15 -0.10 -0.09 0.00 -0.13 0.00 0.00 59.36 59.19 1pb6 h GLU 62 Cb 0.67 -0.20 -0.00 0.00 0.63 0.00 0.00 28.75 29.85 1pb6 h GLU 62 CO 0.05 0.71 -0.23 0.00 -0.73 0.00 0.00 179.01 178.80 1pb6 h ALA 63 N 1.46 0.29 0.38 2.92 0.00 -1.90 -1.04 119.26 121.37 1pb6 h ALA 63 Ca 0.25 -0.37 -0.02 0.00 0.00 0.00 0.00 54.91 54.77 1pb6 h ALA 63 Cb 0.00 -0.06 0.00 0.00 0.00 0.00 0.00 17.79 17.74 1pb6 h ALA 63 CO -0.04 0.26 -0.18 1.25 0.00 0.00 0.00 179.25 180.53 1pb6 h LEU 64 N 0.17 -0.44 -0.66 0.00 6.46 -0.98 -1.36 115.31 118.52 1pb6 h LEU 64 Ca 0.03 -0.01 0.11 0.00 -0.12 0.00 0.00 57.88 57.89 1pb6 h LEU 64 Cb 0.79 0.11 -0.08 0.00 -0.73 0.00 0.00 40.66 40.75 1pb6 h LEU 64 CO 0.06 -0.28 0.24 0.22 -0.62 0.00 0.00 178.44 178.06 1pb6 h TYR 65 N -0.56 0.41 -0.25 1.25 5.03 -0.49 -0.41 116.97 121.94 1pb6 h TYR 65 Ca -0.05 0.03 -0.08 0.00 2.58 0.00 0.00 58.73 61.21 1pb6 h TYR 65 Cb 0.42 -0.08 -0.01 0.00 1.55 0.00 0.00 36.73 38.60 1pb6 h TYR 65 CO -0.04 0.07 -0.17 0.82 -1.32 0.00 0.00 178.16 177.52 1pb6 h ILE 66 N 0.40 1.24 -0.63 1.81 2.04 -1.09 -2.05 117.51 119.23 1pb6 h ILE 66 Ca 0.34 -1.08 -0.08 0.00 1.00 0.00 0.00 64.86 65.04 1pb6 h ILE 66 Cb 0.47 1.24 -0.02 0.00 -0.74 0.00 0.00 36.82 37.76 1pb6 h ILE 66 CO -0.35 0.34 0.07 0.00 0.00 0.00 0.00 178.15 178.22 1pb6 h ALA 67 N 1.42 0.85 -0.63 1.87 0.00 0.01 0.98 119.26 123.76 1pb6 h ALA 67 Ca 0.07 -0.28 -0.00 0.00 0.00 0.00 0.00 54.91 54.70 1pb6 h ALA 67 Cb 0.54 -0.24 -0.03 0.00 0.00 0.00 0.00 17.79 18.06 1pb6 h ALA 67 CO 0.03 0.63 0.38 0.28 0.00 0.00 0.00 179.25 180.58 1pb6 h VAL 68 N 0.98 1.18 0.00 0.00 2.07 -0.71 -2.22 116.25 117.56 1pb6 h VAL 68 Ca 0.19 -0.41 -0.12 0.00 0.82 0.00 0.00 66.70 67.18 1pb6 h VAL 68 Cb 0.47 0.31 -0.02 0.00 -1.52 0.00 0.00 31.29 30.54 1pb6 h VAL 68 CO 0.02 0.19 -0.59 -0.07 0.02 0.00 0.00 177.57 177.14 1pb6 h LEU 69 N 0.86 0.00 -1.17 2.57 3.38 -1.12 -3.06 115.31 116.77 1pb6 h LEU 69 Ca 0.23 0.00 -0.07 0.00 0.09 0.00 0.00 57.88 58.13 1pb6 h LEU 69 Cb -0.03 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 40.71 1pb6 h LEU 69 CO -0.04 0.59 -0.16 0.03 0.09 0.00 0.00 178.44 178.94 1pb6 h ARG 70 N 0.00 0.39 -0.47 1.13 2.47 -0.43 -2.53 114.38 114.94 1pb6 h ARG 70 Ca -0.01 -0.11 -0.05 0.00 -1.26 0.00 0.00 59.98 58.55 1pb6 h ARG 70 Cb 1.25 -0.04 -0.02 0.00 -1.65 0.00 0.00 29.97 29.51 1pb6 h ARG 70 CO 0.08 0.54 0.09 0.37 0.56 0.00 0.00 179.97 181.61 1pb6 h GLN 71 N 0.36 0.77 -0.25 0.04 4.15 -1.31 -1.31 115.11 117.56 1pb6 h GLN 71 Ca 0.07 -0.20 -0.02 0.00 0.77 0.00 0.00 58.65 59.27 1pb6 h GLN 71 Cb 0.50 -0.09 -0.01 0.00 0.21 0.00 0.00 27.48 28.08 1pb6 h GLN 71 CO 0.03 0.77 0.08 0.82 -1.93 0.00 0.00 178.83 178.61 1pb6 h ILE 72 N 0.65 1.19 -0.60 2.39 2.04 -1.47 -2.54 117.51 119.17 1pb6 h ILE 72 Ca 0.15 -0.61 0.03 0.00 1.00 0.00 0.00 64.86 65.42 1pb6 h ILE 72 Cb 0.37 1.12 -0.04 0.00 -0.74 0.00 0.00 36.82 37.53 1pb6 h ILE 72 CO 0.01 0.20 0.37 -0.07 0.00 0.00 0.00 178.15 178.65 1pb6 h LEU 73 N 0.25 0.60 -1.28 1.44 3.38 -1.33 0.35 115.31 118.70 1pb6 h LEU 73 Ca 0.08 0.00 0.08 0.00 0.09 0.00 0.00 57.88 58.13 1pb6 h LEU 73 Cb 0.23 -0.12 -0.05 0.00 0.09 0.00 0.00 40.66 40.81 1pb6 h LEU 73 CO -0.00 0.42 0.53 0.44 0.09 0.00 0.00 178.44 179.91 1pb6 h ASP 74 N 0.72 0.75 0.05 -0.43 3.32 -1.04 0.46 116.42 120.25 1pb6 h ASP 74 Ca 0.24 0.01 -0.14 0.00 0.02 0.00 0.00 57.03 57.16 1pb6 h ASP 74 Cb 0.02 -0.15 0.01 0.00 0.22 0.00 0.00 39.33 39.44 1pb6 h ASP 74 CO -0.10 0.47 -0.57 0.40 -1.72 0.00 0.00 179.24 177.71 1pb6 h ILE 75 N 0.84 1.50 -0.11 0.35 2.04 -1.01 -2.58 117.51 118.54 1pb6 h ILE 75 Ca 0.36 -2.23 0.04 0.00 1.00 0.00 0.00 64.86 64.03 1pb6 h ILE 75 Cb 0.31 2.89 -0.06 0.00 -0.74 0.00 0.00 36.82 39.22 1pb6 h ILE 75 CO -0.13 0.63 -0.37 -0.50 0.00 0.00 0.00 178.15 177.78 1pb6 h TRP 76 N -0.33 -1.03 0.00 1.37 -0.00 0.44 -2.78 115.95 113.62 1pb6 h TRP 76 Ca -0.09 0.04 0.00 0.00 -0.00 0.00 0.00 58.89 58.85 1pb6 h TRP 76 Cb 1.35 0.47 0.00 0.00 -0.00 0.00 0.00 29.16 30.98 1pb6 h TRP 76 CO 0.18 -0.44 0.00 1.28 -0.00 0.00 0.00 178.44 179.46 1pb6 n LEU 77 N -5.43 0.49 -0.25 -4.49 4.77 0.16 -4.27 117.00 107.98 1pb6 n LEU 77 Ca -0.04 0.56 -0.12 0.00 -0.03 0.00 0.00 56.01 56.39 1pb6 n LEU 77 Cb 0.35 -0.43 -0.09 0.00 -2.33 0.00 0.00 43.42 40.91 1pb6 n LEU 77 CO 0.14 -0.20 0.49 0.00 -1.33 0.00 0.00 177.39 176.49 1pb6 h ALA 78 N 2.61 -0.64 -0.99 -1.18 0.00 -1.16 -0.63 119.26 117.27 1pb6 h ALA 78 Ca 0.00 0.05 0.11 0.00 0.00 0.00 0.00 54.91 55.07 1pb6 h ALA 78 Cb 0.57 1.22 -0.08 0.00 0.00 0.00 0.00 17.79 19.49 1pb6 h ALA 78 CO 0.00 -0.95 0.63 -1.35 0.00 0.00 0.00 179.25 177.58 1pb6 h PRO 79 N -0.20 0.97 -0.11 0.00 0.11 -1.79 -2.09 132.00 128.89 1pb6 h PRO 79 Ca 0.10 -0.06 -0.15 0.00 0.11 0.00 0.00 66.00 66.01 1pb6 h PRO 79 Cb 0.47 -0.22 -0.01 0.00 0.11 0.00 0.00 31.00 31.36 1pb6 h PRO 79 CO -0.70 0.64 -0.58 1.25 -0.21 0.00 0.00 178.00 178.40 1pb6 h LEU 80 N 1.00 0.39 -1.87 2.35 5.85 -1.59 -2.93 115.31 118.51 1pb6 h LEU 80 Ca 0.48 -0.22 -0.03 0.00 0.84 0.00 0.00 57.88 58.96 1pb6 h LEU 80 Cb 0.46 -0.11 -0.00 0.00 0.37 0.00 0.00 40.66 41.38 1pb6 h LEU 80 CO -0.25 0.89 -0.13 0.11 -0.34 0.00 0.00 178.44 178.72 1pb6 h LYS 81 N 0.26 0.00 0.00 1.25 1.57 -0.44 -2.68 116.57 116.53 1pb6 h LYS 81 Ca -0.00 0.00 -0.01 0.00 -1.87 0.00 0.00 60.65 58.77 1pb6 h LYS 81 Cb 1.09 0.00 -0.00 0.00 0.08 0.00 0.00 32.23 33.40 1pb6 h LYS 81 CO 0.10 0.13 -0.05 0.00 -0.57 0.00 0.00 179.45 179.05 1pb6 h ALA 82 N 1.87 0.99 -1.92 3.86 0.00 -1.30 -3.46 119.26 119.30 1pb6 h ALA 82 Ca -0.00 -0.05 -0.65 0.00 0.00 0.00 0.00 54.91 54.21 1pb6 h ALA 82 Cb 0.34 -0.01 0.03 0.00 0.00 0.00 0.00 17.79 18.14 1pb6 h ALA 82 CO 0.02 0.07 0.96 1.19 0.00 0.00 0.00 179.25 181.48 1pb6 n PHE 83 N -3.14 2.19 -4.21 0.00 3.01 -1.01 -4.98 117.46 109.32 1pb6 n PHE 83 Ca 0.02 0.22 -0.29 0.00 1.01 0.00 0.00 57.45 58.40 1pb6 n PHE 83 Cb 0.41 -2.57 -0.09 0.00 -0.01 0.00 0.00 39.48 37.22 1pb6 n PHE 83 CO 0.00 0.00 0.00 1.03 1.01 0.00 0.00 176.76 178.80 1pb6 s ARG 84 N 3.19 2.21 0.46 -1.08 1.81 -1.26 -5.02 118.95 119.26 1pb6 s ARG 84 Ca 0.91 -1.01 0.12 0.00 -1.72 0.00 0.00 55.73 54.03 1pb6 s ARG 84 Cb -0.81 -2.34 1.05 0.00 -0.45 0.00 0.00 34.95 32.40 1pb6 s ARG 84 CO 0.53 0.50 2.07 1.49 -0.68 0.00 0.00 175.30 179.22 1pb6 h GLU 85 N 3.47 0.20 -0.35 3.54 4.81 -1.95 -1.57 114.58 122.73 1pb6 h GLU 85 Ca -0.48 -0.02 0.00 0.00 -0.13 0.00 0.00 59.36 58.73 1pb6 h GLU 85 Cb 1.17 -0.04 0.00 0.00 0.63 0.00 0.00 28.75 30.51 1pb6 h GLU 85 CO 0.54 0.18 0.00 -0.40 -0.73 0.00 0.00 179.01 178.60 1pb6 n ASP 86 N -4.46 1.29 -4.79 1.04 5.68 -1.26 -4.93 116.55 109.13 1pb6 n ASP 86 Ca -0.01 -2.05 -0.25 0.00 -0.50 0.00 0.00 54.79 51.98 1pb6 n ASP 86 Cb 0.12 -0.22 0.09 0.00 -1.14 0.00 0.00 41.12 39.96 1pb6 n ASP 86 CO 0.00 0.00 0.00 -0.36 -1.33 0.00 0.00 177.20 175.51 1pb6 s PHE 87 N -1.68 2.44 -0.48 2.11 0.40 -0.59 -5.06 117.98 115.12 1pb6 s PHE 87 Ca 0.13 0.17 -0.18 0.00 -0.60 0.00 0.00 56.93 56.45 1pb6 s PHE 87 Cb 0.08 -3.17 0.05 0.00 0.51 0.00 0.00 43.02 40.49 1pb6 s PHE 87 CO 0.08 -1.52 0.52 0.00 0.70 0.00 0.00 175.22 174.99 1pb6 s ALA 88 N -3.20 3.44 0.05 5.36 0.00 -1.26 -5.01 121.76 121.13 1pb6 s ALA 88 Ca 0.63 -1.78 -0.12 0.00 0.00 0.00 0.00 51.96 50.69 1pb6 s ALA 88 Cb -0.09 -3.21 -0.04 0.00 0.00 0.00 0.00 23.12 19.79 1pb6 s ALA 88 CO 0.44 -1.83 1.20 -1.00 0.00 0.00 0.00 175.76 174.57 1pb6 h PRO 89 N 8.87 -0.13 -0.70 0.00 0.13 -1.94 0.15 132.00 138.37 1pb6 h PRO 89 Ca -0.27 0.01 0.01 0.00 -0.87 0.00 0.00 66.00 64.87 1pb6 h PRO 89 Cb 1.10 0.03 -0.04 0.00 0.13 0.00 0.00 31.00 32.23 1pb6 h PRO 89 CO 0.90 -0.08 0.46 -0.07 -0.23 0.00 0.00 178.00 178.98 1pb6 h LEU 90 N -0.13 0.80 -0.54 1.56 3.38 -1.95 0.27 115.31 118.70 1pb6 h LEU 90 Ca 0.03 -0.02 -0.16 0.00 0.09 0.00 0.00 57.88 57.82 1pb6 h LEU 90 Cb 0.21 -0.20 -0.01 0.00 0.09 0.00 0.00 40.66 40.75 1pb6 h LEU 90 CO -0.24 0.58 -0.70 0.00 0.09 0.00 0.00 178.44 178.17 1pb6 h ALA 91 N 1.57 0.76 0.05 1.53 0.00 -1.95 -1.37 119.26 119.84 1pb6 h ALA 91 Ca 0.26 -0.61 -0.26 0.00 0.00 0.00 0.00 54.91 54.30 1pb6 h ALA 91 Cb -0.09 -0.09 0.02 0.00 0.00 0.00 0.00 17.79 17.63 1pb6 h ALA 91 CO -0.06 0.81 -1.06 0.00 0.00 0.00 0.00 179.25 178.94 1pb6 h ALA 92 N 1.16 0.06 -0.30 0.00 0.00 -0.15 -2.94 119.26 117.09 1pb6 h ALA 92 Ca -0.02 -0.71 -0.03 0.00 0.00 0.00 0.00 54.91 54.15 1pb6 h ALA 92 Cb 1.24 0.08 -0.01 0.00 0.00 0.00 0.00 17.79 19.10 1pb6 h ALA 92 CO 0.10 0.63 0.05 0.82 0.00 0.00 0.00 179.25 180.86 1pb6 h ILE 93 N 0.27 1.23 -0.47 0.00 2.04 -0.48 -0.51 117.51 119.58 1pb6 h ILE 93 Ca -0.15 -0.79 0.09 0.00 1.00 0.00 0.00 64.86 65.02 1pb6 h ILE 93 Cb 1.73 1.17 -0.08 0.00 -0.74 0.00 0.00 36.82 38.90 1pb6 h ILE 93 CO 0.21 0.26 0.02 0.11 0.00 0.00 0.00 178.15 178.74 1pb6 h LYS 94 N 0.32 0.13 -0.56 2.37 1.57 -1.33 -0.21 116.57 118.85 1pb6 h LYS 94 Ca 0.09 -0.01 -0.06 0.00 -1.87 0.00 0.00 60.65 58.81 1pb6 h LYS 94 Cb 0.33 -0.03 -0.03 0.00 0.08 0.00 0.00 32.23 32.59 1pb6 h LYS 94 CO 0.00 0.09 0.13 1.49 -0.57 0.00 0.00 179.45 180.59 1pb6 h GLU 95 N 0.13 0.88 0.17 3.15 4.57 -1.31 -2.13 114.58 120.04 1pb6 h GLU 95 Ca 0.24 -0.19 0.00 0.00 -1.18 0.00 0.00 59.36 58.23 1pb6 h GLU 95 Cb 0.35 -0.13 -0.01 0.00 -0.16 0.00 0.00 28.75 28.80 1pb6 h GLU 95 CO -0.38 0.79 -0.14 -0.92 -1.18 0.00 0.00 179.01 177.19 1pb6 h TYR 96 N 0.84 -0.35 -1.00 0.92 -0.00 0.04 -1.79 116.97 115.62 1pb6 h TYR 96 Ca 0.18 0.00 0.16 0.00 -0.00 0.00 0.00 58.73 59.08 1pb6 h TYR 96 Cb 0.32 0.13 -0.10 0.00 -0.00 0.00 0.00 36.73 37.09 1pb6 h TYR 96 CO 0.02 -0.21 0.62 0.82 -0.00 0.00 0.00 178.16 179.40 1pb6 h ILE 97 N -0.32 0.78 -0.12 1.81 2.04 -0.71 -1.71 117.51 119.28 1pb6 h ILE 97 Ca -0.00 -0.29 -0.07 0.00 1.00 0.00 0.00 64.86 65.49 1pb6 h ILE 97 Cb 0.29 -0.14 -0.00 0.00 -0.74 0.00 0.00 36.82 36.23 1pb6 h ILE 97 CO -0.02 0.15 -0.21 -0.09 0.00 0.00 0.00 178.15 177.99 1pb6 h ARG 98 N 0.85 0.35 -0.37 2.37 2.43 -1.00 -2.40 114.38 116.60 1pb6 h ARG 98 Ca 0.55 -0.22 -0.05 0.00 -0.81 0.00 0.00 59.98 59.46 1pb6 h ARG 98 Cb 0.74 0.02 -0.02 0.00 -0.42 0.00 0.00 29.97 30.30 1pb6 h ARG 98 CO -0.34 0.80 0.03 -0.07 -1.51 0.00 0.00 179.97 178.89 1pb6 h LEU 99 N -0.07 0.53 0.14 3.80 -0.00 -1.08 -1.74 115.31 116.89 1pb6 h LEU 99 Ca 0.01 -0.09 -0.01 0.00 -0.00 0.00 0.00 57.88 57.79 1pb6 h LEU 99 Cb 0.78 -0.14 0.00 0.00 -0.00 0.00 0.00 40.66 41.31 1pb6 h LEU 99 CO 0.05 0.57 -0.07 0.11 -0.00 0.00 0.00 178.44 179.10 1pb6 h LYS 100 N 0.55 -0.19 0.00 1.13 1.79 -1.28 -1.67 116.57 116.90 1pb6 h LYS 100 Ca 0.12 0.01 -0.01 0.00 -2.18 0.00 0.00 60.65 58.59 1pb6 h LYS 100 Cb 0.30 0.04 -0.00 0.00 -1.58 0.00 0.00 32.23 30.99 1pb6 h LYS 100 CO 0.01 -0.11 -0.07 -0.07 -1.08 0.00 0.00 179.45 178.13 1pb6 h LEU 101 N -0.21 0.00 -0.30 2.94 3.38 -1.23 -2.10 115.31 117.79 1pb6 h LEU 101 Ca -0.02 0.00 -0.20 0.00 0.09 0.00 0.00 57.88 57.75 1pb6 h LEU 101 Cb 0.16 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.92 1pb6 h LEU 101 CO 0.03 0.07 -0.79 -0.33 0.09 0.00 0.00 178.44 177.51 1pb6 h GLU 102 N 0.00 0.50 0.00 1.13 5.08 -0.74 -1.99 114.58 118.57 1pb6 h GLU 102 Ca -0.00 -0.44 -0.08 0.00 -1.00 0.00 0.00 59.36 57.84 1pb6 h GLU 102 Cb 0.33 0.10 -0.01 0.00 0.50 0.00 0.00 28.75 29.66 1pb6 h GLU 102 CO 0.01 1.07 -0.37 0.28 -1.00 0.00 0.00 179.01 179.00 1pb6 h VAL 103 N 0.33 0.94 0.00 3.13 2.07 -0.67 0.36 116.25 122.40 1pb6 h VAL 103 Ca -0.05 -1.46 -0.05 0.00 0.82 0.00 0.00 66.70 65.96 1pb6 h VAL 103 Cb 1.39 1.87 -0.01 0.00 -1.52 0.00 0.00 31.29 33.02 1pb6 h VAL 103 CO 0.14 0.36 -0.30 0.28 0.02 0.00 0.00 177.57 178.08 1pb6 h SER 104 N 0.00 0.00 0.18 0.57 0.02 -1.34 0.23 113.55 113.22 1pb6 h SER 104 Ca -0.00 0.00 -0.29 0.00 -0.84 0.00 0.00 61.79 60.66 1pb6 h SER 104 Cb 0.84 0.00 0.02 0.00 0.14 0.00 0.00 62.40 63.40 1pb6 h SER 104 CO 0.05 0.22 -1.34 -0.09 -1.14 0.00 0.00 176.83 174.52 1pb6 h ARG 105 N 0.00 0.39 0.12 3.45 1.12 -0.91 -3.37 114.38 115.17 1pb6 h ARG 105 Ca -0.01 -0.66 -0.35 0.00 -1.11 0.00 0.00 59.98 57.85 1pb6 h ARG 105 Cb 1.17 0.25 -0.02 0.00 -0.01 0.00 0.00 29.97 31.36 1pb6 h ARG 105 CO 0.03 1.32 -1.89 -0.44 -3.11 0.00 0.00 179.97 175.87 1pb6 h ASP 106 N -0.10 0.40 -2.29 -3.80 3.45 -0.97 -3.42 116.42 109.69 1pb6 h ASP 106 Ca -0.25 -0.91 -0.63 0.00 0.43 0.00 0.00 57.03 55.66 1pb6 h ASP 106 Cb 1.93 -0.13 -0.40 0.00 -0.56 0.00 0.00 39.33 40.17 1pb6 h ASP 106 CO 0.18 1.82 -0.38 -1.22 -1.57 0.00 0.00 179.24 178.06 1pb6 n TYR 107 N -3.60 3.66 0.18 4.55 0.53 0.81 -4.87 117.16 118.43 1pb6 n TYR 107 Ca -0.31 -3.84 0.05 0.00 -1.02 0.00 0.00 57.90 52.78 1pb6 n TYR 107 Cb 1.01 -0.63 0.31 0.00 -1.03 0.00 0.00 39.34 39.00 1pb6 n TYR 107 CO 0.00 0.00 0.00 -1.00 -1.02 0.00 0.00 176.86 174.84 1pb6 h PRO 108 N 3.74 0.00 -0.01 -0.72 0.13 -1.73 -2.87 132.00 130.55 1pb6 h PRO 108 Ca 0.20 0.00 -0.00 0.00 -0.87 0.00 0.00 66.00 65.33 1pb6 h PRO 108 Cb 0.56 0.00 -0.00 0.00 0.13 0.00 0.00 31.00 31.69 1pb6 h PRO 108 CO 0.90 0.41 0.01 1.96 -0.23 0.00 0.00 178.00 181.04 1pb6 h GLN 109 N 0.00 0.02 -0.61 0.86 4.20 -1.94 -0.02 115.11 117.62 1pb6 h GLN 109 Ca -0.00 -0.00 -0.01 0.00 0.06 0.00 0.00 58.65 58.70 1pb6 h GLN 109 Cb 0.94 -0.00 -0.03 0.00 0.30 0.00 0.00 27.48 28.68 1pb6 h GLN 109 CO 0.05 0.17 0.36 0.00 -0.67 0.00 0.00 178.83 178.74 1pb6 h ALA 110 N 0.85 1.48 -0.05 3.87 0.00 -1.94 0.15 119.26 123.62 1pb6 h ALA 110 Ca 0.00 -0.08 -0.01 0.00 0.00 0.00 0.00 54.91 54.83 1pb6 h ALA 110 Cb 0.16 -0.25 -0.00 0.00 0.00 0.00 0.00 17.79 17.70 1pb6 h ALA 110 CO -0.00 0.44 -0.01 1.03 0.00 0.00 0.00 179.25 180.71 1pb6 h SER 111 N 0.84 0.10 0.44 0.00 0.87 -1.26 -1.17 113.55 113.36 1pb6 h SER 111 Ca 0.22 -0.36 -0.07 0.00 -1.23 0.00 0.00 61.79 60.35 1pb6 h SER 111 Cb -0.02 -0.03 -0.01 0.00 -0.44 0.00 0.00 62.40 61.91 1pb6 h SER 111 CO -0.04 0.43 -0.34 0.03 -0.53 0.00 0.00 176.83 176.38 1pb6 h ARG 112 N -0.23 0.00 -0.23 2.24 3.08 -0.76 -1.90 114.38 116.57 1pb6 h ARG 112 Ca 0.01 0.00 -0.18 0.00 0.07 0.00 0.00 59.98 59.89 1pb6 h ARG 112 Cb 0.39 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.44 1pb6 h ARG 112 CO 0.00 0.34 -0.55 1.25 -1.07 0.00 0.00 179.97 179.95 1pb6 h LEU 113 N 0.00 0.89 -0.94 3.04 6.46 -0.50 -1.51 115.31 122.74 1pb6 h LEU 113 Ca -0.00 -0.56 -0.10 0.00 -0.12 0.00 0.00 57.88 57.10 1pb6 h LEU 113 Cb 0.66 -0.26 -0.01 0.00 -0.73 0.00 0.00 40.66 40.32 1pb6 h LEU 113 CO 0.04 1.29 -0.24 0.15 -0.62 0.00 0.00 178.44 179.06 1pb6 h PHE 114 N 0.53 0.55 -0.13 1.25 3.04 -1.05 -2.99 116.94 118.13 1pb6 h PHE 114 Ca -0.00 -0.11 -0.03 0.00 3.98 0.00 0.00 57.97 61.80 1pb6 h PHE 114 Cb 1.16 -0.14 -0.00 0.00 2.56 0.00 0.00 35.95 39.53 1pb6 h PHE 114 CO 0.08 0.70 -0.05 0.00 -2.02 0.00 0.00 178.31 177.02 1pb6 h MET 116 N -0.06 0.30 -0.09 0.00 1.85 -1.24 -0.86 114.93 114.83 1pb6 h MET 116 Ca 0.03 -0.02 -0.02 0.00 -0.61 0.00 0.00 59.70 59.08 1pb6 h MET 116 Cb 0.49 -0.07 -0.00 0.00 0.43 0.00 0.00 31.60 32.45 1pb6 h MET 116 CO 0.02 0.20 -0.03 1.49 -0.40 0.00 0.00 176.91 178.19 1pb6 h GLU 117 N 0.31 0.18 -0.64 0.39 4.22 -1.49 -2.45 114.58 115.10 1pb6 h GLU 117 Ca 0.14 -0.07 0.05 0.00 0.08 0.00 0.00 59.36 59.55 1pb6 h GLU 117 Cb 0.16 -0.01 -0.05 0.00 0.50 0.00 0.00 28.75 29.35 1pb6 h GLU 117 CO -0.03 0.51 0.37 1.98 -2.18 0.00 0.00 179.01 179.66 1pb6 h MET 118 N -0.15 0.68 0.00 1.92 4.05 -1.03 -0.78 114.93 119.62 1pb6 h MET 118 Ca 0.02 -0.04 -0.03 0.00 -0.28 0.00 0.00 59.70 59.37 1pb6 h MET 118 Cb 0.44 -0.15 -0.00 0.00 -0.80 0.00 0.00 31.60 31.08 1pb6 h MET 118 CO 0.01 0.45 -0.15 -0.07 0.23 0.00 0.00 176.91 177.38 1pb6 h LEU 119 N 0.70 0.00 -0.01 3.39 3.38 -1.15 0.06 115.31 121.68 1pb6 h LEU 119 Ca 0.28 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.25 1pb6 h LEU 119 Cb 0.12 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.87 1pb6 h LEU 119 CO -0.15 0.15 0.00 0.00 0.09 0.00 0.00 178.44 178.53 1pb6 n ALA 120 N -2.48 2.63 -0.56 1.53 0.00 -0.56 -4.87 120.51 116.19 1pb6 n ALA 120 Ca -0.02 -0.14 0.00 0.00 0.00 0.00 0.00 53.44 53.27 1pb6 n ALA 120 Cb 0.22 -1.36 0.00 0.00 0.00 0.00 0.00 19.45 18.31 1pb6 n ALA 120 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1pb6 n GLY 121 N 0.85 0.67 3.78 0.00 0.00 0.00 -4.12 105.19 106.37 1pb6 n GLY 121 Ca 0.17 -0.42 -0.23 0.00 0.00 0.00 0.00 46.02 45.54 1pb6 n GLY 121 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1pb6 n ALA 122 N -0.31 -1.98 0.07 4.61 0.00 -0.41 -4.88 120.51 117.61 1pb6 n ALA 122 Ca 0.00 -0.18 -0.12 0.00 0.00 0.00 0.00 53.44 53.15 1pb6 n ALA 122 Cb 0.00 -1.94 -0.05 0.00 0.00 0.00 0.00 19.45 17.46 1pb6 n ALA 122 CO 0.00 0.00 0.00 -1.00 0.00 0.00 0.00 177.50 176.50 1pb6 h PRO 123 N -1.87 -0.26 0.00 0.00 0.13 -1.76 -2.31 132.00 125.93 1pb6 h PRO 123 Ca -0.61 0.02 -0.26 0.00 -0.87 0.00 0.00 66.00 64.27 1pb6 h PRO 123 Cb 1.36 0.06 -0.04 0.00 0.13 0.00 0.00 31.00 32.51 1pb6 h PRO 123 CO 0.59 -0.17 -1.53 -0.07 -0.23 0.00 0.00 178.00 176.59 1pb6 h LEU 124 N -0.27 0.00 -0.42 1.56 4.07 -1.92 -3.38 115.31 114.94 1pb6 h LEU 124 Ca 0.04 0.00 0.00 0.00 0.08 0.00 0.00 57.88 58.00 1pb6 h LEU 124 Cb 0.31 0.00 0.00 0.00 1.08 0.00 0.00 40.66 42.05 1pb6 h LEU 124 CO -0.11 0.96 -0.36 0.18 -1.08 0.00 0.00 178.44 178.02 1pb6 n LEU 125 N -3.09 1.02 -0.30 1.67 4.77 -1.23 -4.55 117.00 115.28 1pb6 n LEU 125 Ca -0.13 -0.27 0.12 0.00 -0.03 0.00 0.00 56.01 55.70 1pb6 n LEU 125 Cb 1.01 -0.13 0.29 0.00 -2.33 0.00 0.00 43.42 42.26 1pb6 n LEU 125 CO 0.45 0.20 1.05 -0.03 -1.33 0.00 0.00 177.39 177.73 1pb6 h MET 126 N 1.03 0.42 0.00 3.23 4.05 -1.60 -0.31 114.93 121.74 1pb6 h MET 126 Ca 0.00 -0.03 -0.01 0.00 -0.28 0.00 0.00 59.70 59.39 1pb6 h MET 126 Cb 0.53 -0.09 -0.00 0.00 -0.80 0.00 0.00 31.60 31.23 1pb6 h MET 126 CO 0.00 0.28 -0.04 -0.44 0.23 0.00 0.00 176.91 176.93 1pb6 h ASP 127 N 0.43 0.00 0.56 1.39 3.45 -1.88 -0.71 116.42 119.66 1pb6 h ASP 127 Ca 0.54 0.00 -0.29 0.00 0.43 0.00 0.00 57.03 57.71 1pb6 h ASP 127 Cb 0.98 0.00 0.01 0.00 -0.56 0.00 0.00 39.33 39.77 1pb6 h ASP 127 CO -0.50 0.04 -1.29 -0.33 -1.57 0.00 0.00 179.24 175.59 1pb6 h GLU 128 N 0.00 0.33 -0.02 3.56 4.39 -1.38 -2.72 114.58 118.74 1pb6 h GLU 128 Ca -0.00 -0.56 -0.01 0.00 0.34 0.00 0.00 59.36 59.13 1pb6 h GLU 128 Cb 0.28 0.21 -0.00 0.00 -0.10 0.00 0.00 28.75 29.14 1pb6 h GLU 128 CO 0.01 1.27 -0.03 -0.07 -1.16 0.00 0.00 179.01 179.02 1pb6 h LEU 129 N 0.09 0.06 -1.30 1.33 4.07 -1.12 -1.95 115.31 116.49 1pb6 h LEU 129 Ca -0.16 -0.53 0.00 0.00 0.08 0.00 0.00 57.88 57.27 1pb6 h LEU 129 Cb 2.01 -0.02 0.00 0.00 1.08 0.00 0.00 40.66 43.73 1pb6 h LEU 129 CO 0.22 0.58 0.00 0.71 -1.08 0.00 0.00 178.44 178.87 1pb6 h THR 130 N -0.46 0.00 0.00 0.22 1.35 -1.30 -0.49 112.91 112.23 1pb6 h THR 130 Ca 0.00 -0.49 0.00 0.00 -0.55 0.00 0.00 66.41 65.37 1pb6 h THR 130 Cb 0.56 1.46 0.00 0.00 -1.73 0.00 0.00 68.15 68.44 1pb6 h THR 130 CO 0.01 0.00 0.00 0.61 -0.25 0.00 0.00 175.52 175.89 1pb6 n GLY 131 N 0.08 -0.06 0.29 5.82 0.00 -1.03 -4.50 105.19 105.80 1pb6 n GLY 131 Ca 0.01 0.00 -0.06 0.00 0.00 0.00 0.00 46.02 45.97 1pb6 n GLY 131 CO 0.00 0.00 0.00 -0.55 0.00 0.00 0.00 173.32 172.77 1pb6 h ASP 132 N 0.00 0.88 0.11 1.61 5.19 -1.73 -2.37 116.42 120.13 1pb6 h ASP 132 Ca 0.00 -0.11 -0.01 0.00 -0.62 0.00 0.00 57.03 56.30 1pb6 h ASP 132 Cb 0.00 -0.23 0.00 0.00 0.18 0.00 0.00 39.33 39.29 1pb6 h ASP 132 CO 0.00 0.74 -0.06 0.25 -3.12 0.00 0.00 179.24 177.05 1pb6 h LEU 133 N 0.96 -0.13 -0.88 1.55 5.85 -1.47 -2.37 115.31 118.82 1pb6 h LEU 133 Ca 0.24 -0.25 0.08 0.00 0.84 0.00 0.00 57.88 58.80 1pb6 h LEU 133 Cb 0.06 0.03 -0.07 0.00 0.37 0.00 0.00 40.66 41.05 1pb6 h LEU 133 CO -0.04 0.18 0.54 0.50 -0.34 0.00 0.00 178.44 179.28 1pb6 h LYS 134 N -0.46 0.90 0.73 1.25 3.64 -1.10 -0.42 116.57 121.12 1pb6 h LYS 134 Ca -0.02 -0.05 -0.03 0.00 -1.27 0.00 0.00 60.65 59.28 1pb6 h LYS 134 Cb 0.37 -0.20 -0.00 0.00 -0.41 0.00 0.00 32.23 31.98 1pb6 h LYS 134 CO 0.03 0.60 -0.44 0.00 -2.27 0.00 0.00 179.45 177.36 1pb6 h ALA 135 N 1.45 -1.13 -0.29 5.00 0.00 -1.42 -0.27 119.26 122.60 1pb6 h ALA 135 Ca 0.41 -0.23 0.06 0.00 0.00 0.00 0.00 54.91 55.14 1pb6 h ALA 135 Cb 0.28 0.54 -0.05 0.00 0.00 0.00 0.00 17.79 18.56 1pb6 h ALA 135 CO -0.21 -1.15 -0.07 1.25 0.00 0.00 0.00 179.25 179.07 1pb6 h LEU 136 N -1.10 -0.26 -1.09 0.00 5.85 -1.10 -2.42 115.31 115.20 1pb6 h LEU 136 Ca -0.09 0.08 0.00 0.00 0.84 0.00 0.00 57.88 58.71 1pb6 h LEU 136 Cb 0.88 0.17 -0.04 0.00 0.37 0.00 0.00 40.66 42.04 1pb6 h LEU 136 CO 0.10 -0.09 0.55 0.40 -0.34 0.00 0.00 178.44 179.05 1pb6 h ILE 137 N 0.00 1.23 -0.43 4.05 1.08 -1.01 -2.27 117.51 120.16 1pb6 h ILE 137 Ca 0.14 -0.47 0.00 0.00 -0.39 0.00 0.00 64.86 64.14 1pb6 h ILE 137 Cb 0.21 -0.02 -0.02 0.00 -3.07 0.00 0.00 36.82 33.92 1pb6 h ILE 137 CO -0.29 0.24 0.27 0.44 -0.69 0.00 0.00 178.15 178.12 1pb6 h ASP 138 N 1.19 0.50 -0.46 1.72 3.32 -0.58 0.76 116.42 122.88 1pb6 h ASP 138 Ca 0.31 -0.03 -0.01 0.00 0.02 0.00 0.00 57.03 57.32 1pb6 h ASP 138 Cb -0.09 -0.13 -0.02 0.00 0.22 0.00 0.00 39.33 39.31 1pb6 h ASP 138 CO -0.06 0.38 0.23 -0.08 -1.72 0.00 0.00 179.24 177.99 1pb6 h GLU 139 N 0.58 0.65 0.00 3.56 4.81 -1.11 -1.46 114.58 121.61 1pb6 h GLU 139 Ca 0.16 -0.09 -0.06 0.00 -0.13 0.00 0.00 59.36 59.24 1pb6 h GLU 139 Cb -0.04 -0.12 -0.01 0.00 0.63 0.00 0.00 28.75 29.21 1pb6 h GLU 139 CO -0.03 0.54 -0.27 0.87 -0.73 0.00 0.00 179.01 179.39 1pb6 h LYS 140 N 0.60 0.00 -0.09 1.92 1.79 -1.27 -1.83 116.57 117.69 1pb6 h LYS 140 Ca 0.16 0.00 -0.17 0.00 -2.18 0.00 0.00 60.65 58.46 1pb6 h LYS 140 Cb 0.10 0.00 -0.01 0.00 -1.58 0.00 0.00 32.23 30.74 1pb6 h LYS 140 CO -0.02 0.27 -0.67 0.77 -1.08 0.00 0.00 179.45 178.72 1pb6 h SER 141 N 0.00 0.44 -0.28 0.86 0.02 -0.72 -0.55 113.55 113.33 1pb6 h SER 141 Ca -0.00 -0.27 -0.04 0.00 -0.84 0.00 0.00 61.79 60.64 1pb6 h SER 141 Cb 1.12 -0.13 -0.01 0.00 0.14 0.00 0.00 62.40 63.52 1pb6 h SER 141 CO 0.04 0.98 0.02 0.00 -1.14 0.00 0.00 176.83 176.73 1pb6 h ALA 142 N 1.02 0.37 -0.42 3.77 0.00 -1.10 -0.06 119.26 122.83 1pb6 h ALA 142 Ca -0.02 -0.21 -0.01 0.00 0.00 0.00 0.00 54.91 54.67 1pb6 h ALA 142 Cb 1.22 -0.10 -0.02 0.00 0.00 0.00 0.00 17.79 18.89 1pb6 h ALA 142 CO 0.11 0.08 0.22 1.25 0.00 0.00 0.00 179.25 180.91 1pb6 h LEU 143 N 0.27 0.54 -0.97 0.00 6.46 -1.19 -2.34 115.31 118.08 1pb6 h LEU 143 Ca 0.08 -0.11 -0.11 0.00 -0.12 0.00 0.00 57.88 57.62 1pb6 h LEU 143 Cb 0.38 -0.14 -0.02 0.00 -0.73 0.00 0.00 40.66 40.16 1pb6 h LEU 143 CO 0.01 0.50 -0.51 0.40 -0.62 0.00 0.00 178.44 178.22 1pb6 h ILE 144 N 0.54 1.35 0.00 4.05 2.04 -1.05 -1.43 117.51 123.02 1pb6 h ILE 144 Ca 0.15 -1.76 -0.01 0.00 1.00 0.00 0.00 64.86 64.24 1pb6 h ILE 144 Cb 0.09 1.95 -0.00 0.00 -0.74 0.00 0.00 36.82 38.13 1pb6 h ILE 144 CO -0.02 0.50 -0.04 0.00 0.00 0.00 0.00 178.15 178.59 1pb6 h ALA 145 N 1.49 1.04 -0.14 1.87 0.00 -0.72 -2.26 119.26 120.54 1pb6 h ALA 145 Ca -0.01 -0.04 -0.11 0.00 0.00 0.00 0.00 54.91 54.76 1pb6 h ALA 145 Cb 0.91 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.70 1pb6 h ALA 145 CO 0.07 0.05 -0.33 0.78 0.00 0.00 0.00 179.25 179.81 1pb6 h GLY 146 N 1.46 0.51 0.78 0.00 0.00 -0.72 -2.14 103.07 102.96 1pb6 h GLY 146 Ca -0.00 -0.63 0.03 0.00 0.00 0.00 0.00 47.33 46.73 1pb6 h GLY 146 CO 0.01 0.57 0.14 1.49 0.00 0.00 0.00 176.54 178.74 1pb6 h TRP 147 N 0.07 0.25 0.00 5.60 -0.00 -1.27 -0.43 115.95 120.17 1pb6 h TRP 147 Ca -0.00 0.02 -0.05 0.00 -0.00 0.00 0.00 58.89 58.85 1pb6 h TRP 147 Cb 0.94 -0.06 -0.01 0.00 -0.00 0.00 0.00 29.16 30.03 1pb6 h TRP 147 CO 0.10 0.12 -0.25 -0.39 -0.00 0.00 0.00 178.44 178.02 1pb6 h VAL 148 N 0.29 0.98 -0.01 1.49 -1.51 -1.54 0.31 116.25 116.27 1pb6 h VAL 148 Ca 0.14 -0.92 -0.00 0.00 -1.23 0.00 0.00 66.70 64.69 1pb6 h VAL 148 Cb 0.09 1.52 -0.00 0.00 -2.13 0.00 0.00 31.29 30.77 1pb6 h VAL 148 CO -0.13 0.24 -0.00 0.50 -1.23 0.00 0.00 177.57 176.96 1pb6 h LYS 149 N 0.00 0.02 -0.94 5.19 3.11 -0.57 -2.92 116.57 120.47 1pb6 h LYS 149 Ca -0.00 -0.01 -0.05 0.00 -2.81 0.00 0.00 60.65 57.78 1pb6 h LYS 149 Cb 0.50 -0.00 -0.03 0.00 -1.00 0.00 0.00 32.23 31.70 1pb6 h LYS 149 CO 0.03 0.35 0.06 -1.13 -2.81 0.00 0.00 179.45 175.95 1pb6 n SER 150 N -4.91 2.51 0.00 4.20 3.41 -0.27 -4.87 113.62 113.68 1pb6 n SER 150 Ca -0.08 -2.27 0.00 0.00 -0.26 0.00 0.00 58.87 56.26 1pb6 n SER 150 Cb 0.18 -0.56 0.00 0.00 -0.26 0.00 0.00 64.21 63.58 1pb6 n SER 150 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 1pb6 n GLY 151 N 0.14 0.06 0.23 5.00 0.00 -1.00 -4.85 105.19 104.78 1pb6 n GLY 151 Ca 0.09 0.00 0.16 0.00 0.00 0.00 0.00 46.02 46.27 1pb6 n GLY 151 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 1pb6 h LYS 152 N 0.13 0.00 -4.58 1.61 1.57 -0.64 -3.44 116.57 111.23 1pb6 h LYS 152 Ca 0.00 0.00 -0.22 0.00 -1.87 0.00 0.00 60.65 58.56 1pb6 h LYS 152 Cb 0.80 0.00 -0.15 0.00 0.08 0.00 0.00 32.23 32.96 1pb6 h LYS 152 CO 0.00 0.00 -0.66 -0.51 -0.57 0.00 0.00 179.45 177.71 1pb6 s LEU 153 N -5.72 2.01 0.91 2.94 1.43 -1.13 -4.32 118.68 114.80 1pb6 s LEU 153 Ca 0.03 -1.17 -0.12 0.00 -1.03 0.00 0.00 54.13 51.84 1pb6 s LEU 153 Cb 0.09 0.13 0.14 0.00 0.03 0.00 0.00 46.19 46.57 1pb6 s LEU 153 CO 0.52 -0.64 1.10 0.00 0.23 0.00 0.00 176.35 177.56 1pb6 s ALA 154 N -3.86 1.57 -0.96 4.21 0.00 0.16 -4.48 121.76 118.41 1pb6 s ALA 154 Ca 0.22 -0.29 -0.24 0.00 0.00 0.00 0.00 51.96 51.65 1pb6 s ALA 154 Cb 0.07 -3.11 -0.06 0.00 0.00 0.00 0.00 23.12 20.02 1pb6 s ALA 154 CO 0.01 -2.35 1.96 -2.14 0.00 0.00 0.00 175.76 173.24 1pb6 s PRO 155 N -5.07 2.50 -0.02 0.00 0.02 -1.26 -4.78 135.00 126.39 1pb6 s PRO 155 Ca 0.63 -0.45 0.02 0.00 0.02 0.00 0.00 61.00 61.23 1pb6 s PRO 155 Cb -0.17 -5.09 0.00 0.00 0.02 0.00 0.00 34.50 29.27 1pb6 s PRO 155 CO 0.56 -3.55 -0.07 -1.50 -0.33 0.00 0.00 177.00 172.10 1pb6 s ILE 156 N 10.46 0.63 -0.19 2.83 1.10 -1.26 -5.12 121.20 129.66 1pb6 s ILE 156 Ca 0.70 -0.29 -0.29 0.00 -0.51 0.00 0.00 60.65 60.27 1pb6 s ILE 156 Cb -0.06 -0.56 0.00 0.00 0.15 0.00 0.00 42.46 41.99 1pb6 s ILE 156 CO 0.02 0.20 1.00 -1.81 -2.11 0.00 0.00 174.94 172.25 1pb6 s ASP 157 N 0.13 7.12 0.30 4.50 1.11 -1.26 -4.93 116.67 123.64 1pb6 s ASP 157 Ca -0.02 1.39 0.05 0.00 0.18 0.00 0.00 52.55 54.15 1pb6 s ASP 157 Cb -0.07 -2.53 0.70 0.00 1.07 0.00 0.00 42.92 42.09 1pb6 s ASP 157 CO 0.00 -0.58 1.78 -0.65 1.18 0.00 0.00 175.17 176.91 1pb6 h PRO 158 N 7.35 0.76 -0.64 8.23 0.11 -1.92 -2.52 132.00 143.37 1pb6 h PRO 158 Ca -0.24 -0.05 0.06 0.00 0.11 0.00 0.00 66.00 65.89 1pb6 h PRO 158 Cb 1.09 -0.17 -0.05 0.00 0.11 0.00 0.00 31.00 31.98 1pb6 h PRO 158 CO 0.93 0.50 0.35 1.96 -0.21 0.00 0.00 178.00 181.52 1pb6 h GLN 159 N 0.78 0.62 0.00 1.05 4.20 -1.92 0.33 115.11 120.17 1pb6 h GLN 159 Ca 0.56 -0.04 -0.06 0.00 0.06 0.00 0.00 58.65 59.18 1pb6 h GLN 159 Cb 0.83 -0.14 -0.01 0.00 0.30 0.00 0.00 27.48 28.46 1pb6 h GLN 159 CO -0.37 0.41 -0.26 0.45 -0.67 0.00 0.00 178.83 178.39 1pb6 h HIS 160 N 0.64 0.00 -0.14 2.96 3.86 -1.89 -0.78 115.15 119.80 1pb6 h HIS 160 Ca 0.29 0.00 -0.08 0.00 -1.16 0.00 0.00 60.37 59.42 1pb6 h HIS 160 Cb 0.19 0.00 -0.00 0.00 1.06 0.00 0.00 27.41 28.66 1pb6 h HIS 160 CO -0.09 0.26 -0.21 1.25 0.86 0.00 0.00 177.93 180.01 1pb6 h LEU 161 N 0.00 0.42 0.10 2.43 6.46 -0.88 -2.08 115.31 121.76 1pb6 h LEU 161 Ca -0.00 -0.53 0.00 0.00 -0.12 0.00 0.00 57.88 57.23 1pb6 h LEU 161 Cb 1.03 -0.12 -0.01 0.00 -0.73 0.00 0.00 40.66 40.83 1pb6 h LEU 161 CO 0.03 0.86 -0.09 0.40 -0.62 0.00 0.00 178.44 179.03 1pb6 h ILE 162 N -0.01 0.80 -0.76 4.05 1.08 -0.26 -2.75 117.51 119.66 1pb6 h ILE 162 Ca 0.01 0.00 0.08 0.00 -0.39 0.00 0.00 64.86 64.57 1pb6 h ILE 162 Cb 0.78 0.80 -0.07 0.00 -3.07 0.00 0.00 36.82 35.26 1pb6 h ILE 162 CO 0.05 0.00 0.42 -0.26 -0.69 0.00 0.00 178.15 177.66 1pb6 h PHE 163 N -0.20 0.76 -0.57 1.37 0.04 -1.13 -2.28 116.94 114.93 1pb6 h PHE 163 Ca 0.00 0.03 -0.03 0.00 2.80 0.00 0.00 57.97 60.78 1pb6 h PHE 163 Cb 0.19 -0.23 -0.03 0.00 2.20 0.00 0.00 35.95 38.09 1pb6 h PHE 163 CO -0.11 0.32 0.26 1.98 -0.60 0.00 0.00 178.31 180.15 1pb6 h MET 164 N 0.72 0.83 0.51 1.51 4.05 -1.21 0.66 114.93 121.99 1pb6 h MET 164 Ca 0.36 -0.13 -0.02 0.00 -0.28 0.00 0.00 59.70 59.63 1pb6 h MET 164 Cb 0.31 -0.14 -0.01 0.00 -0.80 0.00 0.00 31.60 30.96 1pb6 h MET 164 CO -0.23 0.69 -0.33 0.82 0.23 0.00 0.00 176.91 178.09 1pb6 h ILE 165 N 0.77 0.33 -0.42 1.77 5.03 -1.23 0.12 117.51 123.89 1pb6 h ILE 165 Ca 0.19 0.00 0.06 0.00 -0.12 0.00 0.00 64.86 64.99 1pb6 h ILE 165 Cb 0.15 0.33 -0.09 0.00 -3.03 0.00 0.00 36.82 34.19 1pb6 h ILE 165 CO -0.02 0.00 -0.52 -0.50 -0.68 0.00 0.00 178.15 176.43 1pb6 h TRP 166 N -0.80 -1.56 -0.37 1.37 6.55 -1.30 0.10 115.95 119.94 1pb6 h TRP 166 Ca -0.06 0.08 0.01 0.00 0.95 0.00 0.00 58.89 59.87 1pb6 h TRP 166 Cb 0.66 0.74 -0.02 0.00 -0.86 0.00 0.00 29.16 29.68 1pb6 h TRP 166 CO -0.10 -0.48 0.24 0.00 -1.05 0.00 0.00 178.44 177.05 1pb6 h ALA 167 N 0.12 0.47 -0.30 1.49 0.00 -0.72 -0.40 119.26 119.92 1pb6 h ALA 167 Ca 0.10 -0.02 -0.16 0.00 0.00 0.00 0.00 54.91 54.83 1pb6 h ALA 167 Cb 0.59 -0.14 -0.01 0.00 0.00 0.00 0.00 17.79 18.24 1pb6 h ALA 167 CO -0.60 -0.09 -0.44 0.66 0.00 0.00 0.00 179.25 178.78 1pb6 h SER 168 N 0.48 0.83 -0.12 0.00 4.64 -0.39 -1.19 113.55 117.81 1pb6 h SER 168 Ca 0.14 -0.40 -0.13 0.00 -0.47 0.00 0.00 61.79 60.93 1pb6 h SER 168 Cb -0.04 -0.23 0.00 0.00 -0.31 0.00 0.00 62.40 61.82 1pb6 h SER 168 CO -0.04 1.15 -0.43 0.71 -0.87 0.00 0.00 176.83 177.35 1pb6 h THR 169 N 0.62 1.37 0.00 2.95 1.35 -0.73 -3.16 112.91 115.31 1pb6 h THR 169 Ca 0.04 -1.74 0.00 0.00 -0.55 0.00 0.00 66.41 64.16 1pb6 h THR 169 Cb 1.01 2.15 0.00 0.00 -1.73 0.00 0.00 68.15 69.57 1pb6 h THR 169 CO 0.10 0.52 0.00 1.56 -0.25 0.00 0.00 175.52 177.45 1pb6 h GLN 170 N 0.09 0.00 -0.82 4.72 4.20 -1.14 -3.24 115.11 118.92 1pb6 h GLN 170 Ca -0.02 0.00 0.10 0.00 0.06 0.00 0.00 58.65 58.79 1pb6 h GLN 170 Cb 1.06 0.00 -0.08 0.00 0.30 0.00 0.00 27.48 28.76 1pb6 h GLN 170 CO 0.09 0.00 0.46 1.25 -0.67 0.00 0.00 178.83 179.96 1pb6 h HIS 171 N 0.00 0.83 0.00 2.96 2.76 -1.17 -1.44 115.15 119.09 1pb6 h HIS 171 Ca 0.00 0.03 0.00 0.00 -2.20 0.00 0.00 60.37 58.20 1pb6 h HIS 171 Cb 0.65 -0.25 0.00 0.00 1.55 0.00 0.00 27.41 29.36 1pb6 h HIS 171 CO 0.00 0.31 0.00 1.88 -1.30 0.00 0.00 177.93 178.82 1pb6 h TYR 172 N 0.75 0.00 0.00 5.26 -1.99 -1.70 0.57 116.97 119.87 1pb6 h TYR 172 Ca 0.41 0.00 -0.41 0.00 2.00 0.00 0.00 58.73 60.73 1pb6 h TYR 172 Cb 0.41 0.00 -0.06 0.00 2.00 0.00 0.00 36.73 39.08 1pb6 h TYR 172 CO -0.07 0.00 -2.26 0.00 -0.00 0.00 0.00 178.16 175.84 1pb6 n ALA 173 N -1.82 1.12 0.10 3.88 0.00 -0.69 -3.47 120.51 119.63 1pb6 n ALA 173 Ca 0.01 -0.96 -0.05 0.00 0.00 0.00 0.00 53.44 52.45 1pb6 n ALA 173 Cb 0.22 -0.06 0.09 0.00 0.00 0.00 0.00 19.45 19.70 1pb6 n ALA 173 CO 0.00 0.00 0.00 -0.44 0.00 0.00 0.00 177.50 177.06 1pb6 h ASP 174 N -0.87 0.14 -0.46 0.00 3.45 -1.34 -3.15 116.42 114.19 1pb6 h ASP 174 Ca -0.61 -0.09 0.00 0.00 0.43 0.00 0.00 57.03 56.76 1pb6 h ASP 174 Cb 1.59 -0.04 0.00 0.00 -0.56 0.00 0.00 39.33 40.32 1pb6 h ASP 174 CO -0.33 0.80 0.00 0.49 -1.57 0.00 0.00 179.24 178.62 1pb6 n PHE 175 N -3.75 1.58 -0.30 4.55 3.01 0.19 -4.71 117.46 118.03 1pb6 n PHE 175 Ca -0.02 -0.77 0.12 0.00 1.01 0.00 0.00 57.45 57.79 1pb6 n PHE 175 Cb 0.69 -0.41 0.27 0.00 -0.01 0.00 0.00 39.48 40.02 1pb6 n PHE 175 CO 0.00 0.00 0.00 0.00 1.01 0.00 0.00 176.76 177.77 1pb6 h ALA 176 N 3.15 1.19 -0.69 4.37 0.00 -1.58 0.08 119.26 125.78 1pb6 h ALA 176 Ca 0.00 0.24 0.08 0.00 0.00 0.00 0.00 54.91 55.23 1pb6 h ALA 176 Cb 1.71 0.36 -0.04 0.00 0.00 0.00 0.00 17.79 19.82 1pb6 h ALA 176 CO 0.36 -0.48 0.46 -1.35 0.00 0.00 0.00 179.25 178.24 1pb6 h PRO 177 N 0.17 0.61 0.02 0.00 0.11 -1.87 -0.19 132.00 130.85 1pb6 h PRO 177 Ca 0.54 -0.04 -0.25 0.00 0.11 0.00 0.00 66.00 66.36 1pb6 h PRO 177 Cb 1.07 -0.14 -0.03 0.00 0.11 0.00 0.00 31.00 32.02 1pb6 h PRO 177 CO -0.69 0.40 -1.27 0.37 -0.21 0.00 0.00 178.00 176.61 1pb6 h GLN 178 N 0.63 0.05 -0.19 1.05 4.15 -1.40 -2.33 115.11 117.07 1pb6 h GLN 178 Ca 0.31 -0.09 -0.11 0.00 0.77 0.00 0.00 58.65 59.54 1pb6 h GLN 178 Cb 0.40 0.03 -0.00 0.00 0.21 0.00 0.00 27.48 28.12 1pb6 h GLN 178 CO -0.10 0.90 -0.29 0.28 -1.93 0.00 0.00 178.83 177.68 1pb6 h VAL 179 N 0.01 1.34 0.00 2.39 2.07 -0.80 -2.71 116.25 118.56 1pb6 h VAL 179 Ca -0.12 -1.51 -0.08 0.00 0.82 0.00 0.00 66.70 65.81 1pb6 h VAL 179 Cb 1.88 1.87 -0.01 0.00 -1.52 0.00 0.00 31.29 33.50 1pb6 h VAL 179 CO 0.13 0.46 -0.39 -0.08 0.02 0.00 0.00 177.57 177.71 1pb6 h GLU 180 N 0.19 0.00 -0.54 1.57 4.81 -1.12 0.41 114.58 119.89 1pb6 h GLU 180 Ca 0.02 0.00 0.01 0.00 -0.13 0.00 0.00 59.36 59.25 1pb6 h GLU 180 Cb 0.88 0.00 -0.03 0.00 0.63 0.00 0.00 28.75 30.23 1pb6 h GLU 180 CO 0.07 0.39 0.36 0.00 -0.73 0.00 0.00 179.01 179.09 1pb6 h ALA 181 N 1.61 0.68 0.02 2.92 0.00 -1.31 0.29 119.26 123.49 1pb6 h ALA 181 Ca -0.00 -0.04 -0.32 0.00 0.00 0.00 0.00 54.91 54.55 1pb6 h ALA 181 Cb 0.69 -0.22 -0.05 0.00 0.00 0.00 0.00 17.79 18.21 1pb6 h ALA 181 CO 0.05 0.12 -1.91 1.33 0.00 0.00 0.00 179.25 178.84 1pb6 n VAL 182 N -4.71 1.60 -0.02 0.00 0.24 -1.03 -4.53 118.33 109.88 1pb6 n VAL 182 Ca 0.03 -0.77 -0.16 0.00 -2.04 0.00 0.00 64.34 61.41 1pb6 n VAL 182 Cb 0.02 -1.10 -0.14 0.00 -1.47 0.00 0.00 33.84 31.15 1pb6 n VAL 182 CO 0.00 0.00 0.00 0.41 -2.14 0.00 0.00 176.83 175.10 1pb6 n THR 183 N -3.09 1.67 -0.91 3.34 -1.04 0.14 -4.97 114.28 109.42 1pb6 n THR 183 Ca -0.24 -0.71 0.00 0.00 -2.04 0.00 0.00 64.05 61.06 1pb6 n THR 183 Cb 1.07 -1.37 0.00 0.00 -1.82 0.00 0.00 70.33 68.21 1pb6 n THR 183 CO 0.00 0.00 0.00 0.61 -0.64 0.00 0.00 175.07 175.04 1pb6 n GLY 184 N 1.85 0.68 3.40 3.41 0.00 0.10 -5.00 105.19 109.64 1pb6 n GLY 184 Ca -0.28 0.00 -0.20 0.00 0.00 0.00 0.00 46.02 45.54 1pb6 n GLY 184 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1pb6 s ALA 185 N -2.61 2.17 0.35 4.61 0.00 -1.26 -5.00 121.76 120.02 1pb6 s ALA 185 Ca 0.00 -1.91 0.04 0.00 0.00 0.00 0.00 51.96 50.09 1pb6 s ALA 185 Cb 0.00 0.45 -0.03 0.00 0.00 0.00 0.00 23.12 23.53 1pb6 s ALA 185 CO 0.00 -0.21 0.15 0.95 0.00 0.00 0.00 175.76 176.65 1pb6 s THR 186 N -3.24 0.46 -0.99 0.00 -4.23 -1.26 -3.70 115.64 102.68 1pb6 s THR 186 Ca 0.31 -2.00 0.17 0.00 -1.18 0.00 0.00 61.69 59.00 1pb6 s THR 186 Cb 0.06 -2.47 0.15 0.00 1.34 0.00 0.00 72.50 71.58 1pb6 s THR 186 CO 0.12 0.00 1.56 0.18 -0.54 0.00 0.00 174.62 175.94 1pb6 n LEU 187 N -0.72 0.02 0.23 4.79 4.77 -1.26 -2.13 117.00 122.70 1pb6 n LEU 187 Ca -0.01 0.50 0.11 0.00 -0.03 0.00 0.00 56.01 56.58 1pb6 n LEU 187 Cb 0.65 -0.50 0.44 0.00 -2.33 0.00 0.00 43.42 41.68 1pb6 n LEU 187 CO 0.35 -0.21 0.81 0.03 -1.33 0.00 0.00 177.39 177.05 1pb6 h ARG 188 N 0.00 0.00 -6.46 3.23 -0.00 -1.95 -3.41 114.38 105.78 1pb6 h ARG 188 Ca 0.00 0.00 -0.57 0.00 -0.50 0.00 0.00 59.98 58.91 1pb6 h ARG 188 Cb 0.30 0.00 -0.07 0.00 0.00 0.00 0.00 29.97 30.21 1pb6 h ARG 188 CO 0.00 0.19 0.88 -0.51 0.00 0.00 0.00 179.97 180.53 1pb6 s ASP 189 N -6.12 6.81 0.18 7.04 1.01 -0.90 -4.96 116.67 119.73 1pb6 s ASP 189 Ca 0.01 0.83 -0.14 0.00 0.71 0.00 0.00 52.55 53.96 1pb6 s ASP 189 Cb 0.09 -2.55 0.16 0.00 1.01 0.00 0.00 42.92 41.64 1pb6 s ASP 189 CO 0.63 -1.03 1.69 -0.33 0.21 0.00 0.00 175.17 176.34 1pb6 h GLU 190 N 8.56 0.11 -0.20 8.23 3.07 -1.87 0.49 114.58 132.96 1pb6 h GLU 190 Ca -0.22 -0.01 -0.01 0.00 -0.50 0.00 0.00 59.36 58.63 1pb6 h GLU 190 Cb 1.06 -0.03 -0.01 0.00 -0.84 0.00 0.00 28.75 28.94 1pb6 h GLU 190 CO 1.07 0.07 0.08 0.28 -1.40 0.00 0.00 179.01 179.11 1pb6 h VAL 191 N 0.12 1.16 -0.60 3.13 2.07 -1.96 -2.69 116.25 117.48 1pb6 h VAL 191 Ca 0.23 -0.48 -0.01 0.00 0.82 0.00 0.00 66.70 67.26 1pb6 h VAL 191 Cb 0.34 1.11 -0.03 0.00 -1.52 0.00 0.00 31.29 31.19 1pb6 h VAL 191 CO -0.38 0.16 0.35 0.15 0.02 0.00 0.00 177.57 177.86 1pb6 h PHE 192 N 0.17 0.81 -0.85 1.57 3.57 -1.82 0.52 116.94 120.92 1pb6 h PHE 192 Ca 0.07 -0.01 0.10 0.00 3.53 0.00 0.00 57.97 61.66 1pb6 h PHE 192 Cb 0.17 -0.26 -0.06 0.00 2.79 0.00 0.00 35.95 38.59 1pb6 h PHE 192 CO -0.01 0.57 0.55 0.35 -2.23 0.00 0.00 178.31 177.54 1pb6 h PHE 193 N 0.81 0.87 0.03 0.41 3.57 -0.83 0.26 116.94 122.06 1pb6 h PHE 193 Ca 0.21 0.02 -0.23 0.00 3.53 0.00 0.00 57.97 61.51 1pb6 h PHE 193 Cb 0.01 -0.28 -0.00 0.00 2.79 0.00 0.00 35.95 38.47 1pb6 h PHE 193 CO -0.01 0.39 -1.00 -0.97 -2.23 0.00 0.00 178.31 174.49 1pb6 h ASN 194 N 0.80 0.41 -0.04 0.41 -0.73 -1.03 -1.61 115.58 113.79 1pb6 h ASN 194 Ca 0.40 -0.36 -0.00 0.00 1.87 0.00 0.00 56.30 58.21 1pb6 h ASN 194 Cb 0.46 -0.13 -0.00 0.00 0.27 0.00 0.00 38.32 38.92 1pb6 h ASN 194 CO -0.16 1.19 0.01 1.56 -0.37 0.00 0.00 177.43 179.66 1pb6 h GLN 195 N 0.15 0.05 0.05 6.67 4.20 -0.04 -0.58 115.11 125.61 1pb6 h GLN 195 Ca -0.08 -0.01 0.02 0.00 0.06 0.00 0.00 58.65 58.64 1pb6 h GLN 195 Cb 1.66 -0.01 -0.05 0.00 0.30 0.00 0.00 27.48 29.38 1pb6 h GLN 195 CO 0.16 0.19 -0.49 1.15 -0.67 0.00 0.00 178.83 179.17 1pb6 h THR 196 N -0.10 0.00 -0.56 -0.54 2.02 -0.51 0.12 112.91 113.34 1pb6 h THR 196 Ca 0.01 0.00 0.11 0.00 0.77 0.00 0.00 66.41 67.30 1pb6 h THR 196 Cb 0.16 0.00 -0.09 0.00 -1.74 0.00 0.00 68.15 66.47 1pb6 h THR 196 CO -0.00 0.00 0.00 0.58 0.37 0.00 0.00 175.52 176.47 1pb6 h VAL 197 N -0.65 0.55 -0.43 3.16 2.07 -1.21 -1.74 116.25 118.01 1pb6 h VAL 197 Ca 0.00 -0.04 -0.04 0.00 0.82 0.00 0.00 66.70 67.45 1pb6 h VAL 197 Cb 0.68 0.43 -0.02 0.00 -1.52 0.00 0.00 31.29 30.86 1pb6 h VAL 197 CO -0.30 0.02 0.11 -0.33 0.02 0.00 0.00 177.57 177.08 1pb6 h GLU 198 N 0.12 0.63 0.00 1.57 5.08 -0.36 -1.72 114.58 119.90 1pb6 h GLU 198 Ca 0.28 -0.11 -0.01 0.00 -1.00 0.00 0.00 59.36 58.53 1pb6 h GLU 198 Cb 0.44 -0.10 0.00 0.00 0.50 0.00 0.00 28.75 29.59 1pb6 h GLU 198 CO -0.47 0.57 -0.04 -0.91 -1.00 0.00 0.00 179.01 177.17 1pb6 h ASN 199 N 0.62 0.03 0.85 1.42 2.35 0.06 -0.77 115.58 120.14 1pb6 h ASN 199 Ca 0.14 -0.80 -0.00 0.00 -0.55 0.00 0.00 56.30 55.09 1pb6 h ASN 199 Cb 0.23 -0.01 -0.00 0.00 0.05 0.00 0.00 38.32 38.59 1pb6 h ASN 199 CO -0.00 0.83 -0.01 1.62 -1.65 0.00 0.00 177.43 178.22 1pb6 h VAL 200 N -0.76 0.04 0.00 2.81 3.04 -1.45 -1.29 116.25 118.63 1pb6 h VAL 200 Ca -0.01 -0.46 -0.21 0.00 -1.01 0.00 0.00 66.70 65.01 1pb6 h VAL 200 Cb 0.84 1.44 -0.03 0.00 -2.01 0.00 0.00 31.29 31.53 1pb6 h VAL 200 CO 0.01 0.01 -1.10 -0.61 -1.01 0.00 0.00 177.57 174.87 1pb6 h GLN 201 N 0.00 0.00 0.18 4.17 4.15 -1.33 -3.01 115.11 119.27 1pb6 h GLN 201 Ca -0.00 0.00 -0.31 0.00 0.77 0.00 0.00 58.65 59.11 1pb6 h GLN 201 Cb 0.44 0.00 0.03 0.00 0.21 0.00 0.00 27.48 28.16 1pb6 h GLN 201 CO 0.00 0.83 -1.34 -0.09 -1.93 0.00 0.00 178.83 176.31 1pb6 h ARG 202 N 0.00 0.54 0.30 1.69 2.43 -0.58 -2.76 114.38 116.00 1pb6 h ARG 202 Ca -0.07 -0.81 -0.01 0.00 -0.81 0.00 0.00 59.98 58.28 1pb6 h ARG 202 Cb 1.77 0.29 0.00 0.00 -0.42 0.00 0.00 29.97 31.61 1pb6 h ARG 202 CO 0.11 1.38 -0.15 0.82 -1.51 0.00 0.00 179.97 180.62 1pb6 h ILE 203 N 0.19 0.63 0.53 1.20 2.04 -1.36 -2.56 117.51 118.18 1pb6 h ILE 203 Ca -0.21 -0.73 -0.03 0.00 1.00 0.00 0.00 64.86 64.90 1pb6 h ILE 203 Cb 2.02 0.96 0.00 0.00 -0.74 0.00 0.00 36.82 39.07 1pb6 h ILE 203 CO 0.25 0.13 -0.26 0.40 0.00 0.00 0.00 178.15 178.67 1pb6 h ILE 204 N -0.86 0.48 0.04 -0.67 2.04 -1.68 0.93 117.51 117.79 1pb6 h ILE 204 Ca -0.04 0.00 0.03 0.00 1.00 0.00 0.00 64.86 65.85 1pb6 h ILE 204 Cb 0.52 0.48 -0.05 0.00 -0.74 0.00 0.00 36.82 37.03 1pb6 h ILE 204 CO 0.07 0.00 -0.38 0.40 0.00 0.00 0.00 178.15 178.23 1pb6 h ILE 205 N -0.71 0.20 -0.02 -0.67 1.08 -1.63 0.15 117.51 115.91 1pb6 h ILE 205 Ca -0.07 0.00 -0.00 0.00 -0.39 0.00 0.00 64.86 64.40 1pb6 h ILE 205 Cb 0.55 0.20 -0.00 0.00 -3.07 0.00 0.00 36.82 34.50 1pb6 h ILE 205 CO 0.12 0.00 0.01 -0.33 -0.69 0.00 0.00 178.15 177.25 1pb6 h GLU 206 N -0.57 0.03 0.00 2.37 4.39 -1.47 0.18 114.58 119.51 1pb6 h GLU 206 Ca 0.04 -0.00 -0.11 0.00 0.34 0.00 0.00 59.36 59.63 1pb6 h GLU 206 Cb 0.63 -0.01 -0.02 0.00 -0.10 0.00 0.00 28.75 29.26 1pb6 h GLU 206 CO -0.28 0.03 -0.52 0.78 -1.16 0.00 0.00 179.01 177.87 1pb6 h GLY 207 N 0.05 0.00 -0.03 -3.84 0.00 0.70 -3.30 103.07 96.65 1pb6 h GLY 207 Ca 0.01 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.34 1pb6 h GLY 207 CO -0.00 0.00 -0.65 0.29 0.00 0.00 0.00 176.54 176.18 1pb6 n ILE 208 N -3.57 0.00 -2.05 2.60 -5.35 0.37 -4.90 119.36 106.46 1pb6 n ILE 208 Ca -0.00 -0.18 -0.42 0.00 -0.27 0.00 0.00 62.75 61.88 1pb6 n ILE 208 Cb 0.60 1.01 -0.03 0.00 -1.74 0.00 0.00 39.64 39.48 1pb6 n ILE 208 CO 0.00 0.00 0.00 0.00 -1.76 0.00 0.00 176.55 174.79 1pb6 s ARG 209 N -2.30 4.28 -0.55 6.28 1.70 0.55 0.40 118.95 129.31 1pb6 s ARG 209 Ca 0.06 2.24 -0.26 0.00 -0.47 0.00 0.00 55.73 57.29 1pb6 s ARG 209 Cb 0.11 -3.16 -0.06 0.00 -0.57 0.00 0.00 34.95 31.26 1pb6 s ARG 209 CO 0.57 -0.46 2.28 -1.25 -1.08 0.00 0.00 175.30 175.36 1pb6 s PRO 210 N 0.43 2.18 0.00 3.89 0.04 -1.26 -4.41 135.00 135.87 1pb6 s PRO 210 Ca 0.63 1.11 0.24 0.00 0.04 0.00 0.00 61.00 63.03 1pb6 s PRO 210 Cb -0.41 -4.57 0.30 0.00 0.04 0.00 0.00 34.50 29.86 1pb6 s PRO 210 CO 0.36 -3.27 1.32 0.54 0.04 0.00 0.00 177.00 175.99