#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1a6r h PHE -3 N 0.00 0.57 -0.64 0.00 3.57 -2.05 -1.51 116.94 116.88 1a6r h PHE -3 Ca 0.00 0.02 -0.01 0.00 3.53 0.00 0.00 57.97 61.51 1a6r h PHE -3 Cb 0.00 -0.17 -0.03 0.00 2.79 0.00 0.00 35.95 38.53 1a6r h PHE -3 CO 0.00 0.29 0.37 1.96 -2.23 0.00 0.00 178.31 178.71 1a6r h GLN -2 N 0.60 0.88 -0.19 1.11 4.20 -2.05 0.15 115.11 119.81 1a6r h GLN -2 Ca 0.25 -0.09 -0.01 0.00 0.06 0.00 0.00 58.65 58.86 1a6r h GLN -2 Cb 0.12 -0.18 -0.01 0.00 0.30 0.00 0.00 27.48 27.71 1a6r h GLN -2 CO -0.15 0.65 0.08 0.78 -0.67 0.00 0.00 178.83 179.52 1a6r h GLY -1 N 0.88 0.30 0.80 3.46 0.00 -1.91 0.19 103.07 106.79 1a6r h GLY -1 Ca 0.23 -0.16 0.05 0.00 0.00 0.00 0.00 47.33 47.45 1a6r h GLY -1 CO -0.04 0.15 0.61 0.00 0.00 0.00 0.00 176.54 177.26 1a6r h ALA 0 N 0.94 1.29 0.01 3.60 0.00 -0.98 0.14 119.26 124.26 1a6r h ALA 0 Ca 0.06 -0.03 -0.00 0.00 0.00 0.00 0.00 54.91 54.94 1a6r h ALA 0 Cb 0.14 -0.31 0.00 0.00 0.00 0.00 0.00 17.79 17.63 1a6r h ALA 0 CO -0.01 0.44 -0.00 0.52 0.00 0.00 0.00 179.25 180.20 1a6r h MET 1 N 1.15 -0.01 0.00 0.00 2.07 -0.61 -2.30 114.93 115.23 1a6r h MET 1 Ca 0.40 0.00 -0.05 0.00 -2.07 0.00 0.00 59.70 57.98 1a6r h MET 1 Cb 0.09 0.00 -0.01 0.00 -1.87 0.00 0.00 31.60 29.81 1a6r h MET 1 CO -0.15 0.22 -0.23 0.00 1.07 0.00 0.00 176.91 177.81 1a6r h ALA 2 N 0.75 1.55 -0.01 6.32 0.00 0.09 -2.22 119.26 125.75 1a6r h ALA 2 Ca -0.00 -0.21 0.00 0.00 0.00 0.00 0.00 54.91 54.70 1a6r h ALA 2 Cb 0.23 -0.04 0.00 0.00 0.00 0.00 0.00 17.79 17.99 1a6r h ALA 2 CO 0.00 0.29 -0.17 0.43 0.00 0.00 0.00 179.25 179.81 1a6r n SER 3 N -4.17 0.83 -4.86 0.00 7.64 0.43 -4.92 113.62 108.57 1a6r n SER 3 Ca -0.02 -0.83 -0.30 0.00 1.01 0.00 0.00 58.87 58.74 1a6r n SER 3 Cb 0.30 0.04 0.08 0.00 -1.01 0.00 0.00 64.21 63.61 1a6r n SER 3 CO 0.00 0.00 0.00 -0.44 -3.01 0.00 0.00 175.04 171.59 1a6r s SER 4 N -2.43 4.68 -0.23 6.43 0.01 -0.84 -5.01 113.70 116.32 1a6r s SER 4 Ca 0.28 1.04 -0.24 0.00 1.31 0.00 0.00 55.95 58.35 1a6r s SER 4 Cb 0.20 -1.70 -0.01 0.00 0.21 0.00 0.00 66.02 64.71 1a6r s SER 4 CO 0.48 -1.82 0.78 -0.63 0.41 0.00 0.00 173.24 172.46 1a6r s ILE 5 N -3.37 4.88 -0.19 1.44 -1.09 -1.26 -5.03 121.20 116.58 1a6r s ILE 5 Ca 0.61 1.46 -0.09 0.00 -2.23 0.00 0.00 60.65 60.40 1a6r s ILE 5 Cb -0.12 -4.07 -0.05 0.00 -1.58 0.00 0.00 42.46 36.64 1a6r s ILE 5 CO 0.52 -0.03 0.11 -0.62 -1.23 0.00 0.00 174.94 173.69 1a6r s ASP 6 N 1.33 6.07 0.18 3.58 2.15 -1.26 -5.01 116.67 123.72 1a6r s ASP 6 Ca 0.33 0.21 -0.09 0.00 0.43 0.00 0.00 52.55 53.43 1a6r s ASP 6 Cb -0.15 -2.05 0.08 0.00 -0.30 0.00 0.00 42.92 40.49 1a6r s ASP 6 CO 0.08 0.20 1.67 0.40 -0.17 0.00 0.00 175.17 177.35 1a6r h ILE 7 N 4.66 1.26 -0.46 4.11 2.04 -2.00 -1.83 117.51 125.30 1a6r h ILE 7 Ca -0.41 -1.06 -0.05 0.00 1.00 0.00 0.00 64.86 64.34 1a6r h ILE 7 Cb 1.16 0.70 -0.02 0.00 -0.74 0.00 0.00 36.82 37.93 1a6r h ILE 7 CO 0.73 0.39 0.09 -1.28 0.00 0.00 0.00 178.15 178.09 1a6r h SER 8 N 0.98 0.71 0.01 1.72 0.87 -1.99 -1.79 113.55 114.06 1a6r h SER 8 Ca 0.19 -0.25 0.02 0.00 -1.23 0.00 0.00 61.79 60.52 1a6r h SER 8 Cb 0.47 -0.19 -0.02 0.00 -0.44 0.00 0.00 62.40 62.22 1a6r h SER 8 CO 0.02 0.78 -0.09 0.50 -0.53 0.00 0.00 176.83 177.50 1a6r h LYS 9 N 0.62 -0.16 -0.18 2.24 3.64 -1.91 0.97 116.57 121.79 1a6r h LYS 9 Ca 0.14 0.01 -0.08 0.00 -1.27 0.00 0.00 60.65 59.45 1a6r h LYS 9 Cb 0.36 0.04 -0.01 0.00 -0.41 0.00 0.00 32.23 32.20 1a6r h LYS 9 CO 0.01 -0.10 -0.23 -0.84 -2.27 0.00 0.00 179.45 176.01 1a6r h ILE 10 N -0.16 1.24 -0.02 2.00 3.07 -1.24 0.53 117.51 122.92 1a6r h ILE 10 Ca 0.03 -1.12 -0.15 0.00 1.55 0.00 0.00 64.86 65.18 1a6r h ILE 10 Cb 0.20 1.36 -0.02 0.00 -0.27 0.00 0.00 36.82 38.10 1a6r h ILE 10 CO -0.09 0.35 -0.65 0.78 -1.05 0.00 0.00 178.15 177.48 1a6r h ASN 11 N 0.29 0.12 -0.23 2.16 2.35 -0.96 0.62 115.58 119.93 1a6r h ASN 11 Ca 0.05 -0.08 -0.17 0.00 -0.55 0.00 0.00 56.30 55.55 1a6r h ASN 11 Cb 0.57 -0.04 0.00 0.00 0.05 0.00 0.00 38.32 38.91 1a6r h ASN 11 CO 0.04 0.74 -0.53 0.28 -1.65 0.00 0.00 177.43 176.31 1a6r h SER 12 N 0.07 0.86 -0.75 5.81 0.02 -0.15 -1.26 113.55 118.16 1a6r h SER 12 Ca -0.01 -0.56 -0.06 0.00 -0.84 0.00 0.00 61.79 60.32 1a6r h SER 12 Cb 1.16 -0.25 -0.03 0.00 0.14 0.00 0.00 62.40 63.42 1a6r h SER 12 CO 0.09 1.26 0.23 -0.50 -1.14 0.00 0.00 176.83 176.78 1a6r h TRP 13 N 0.50 1.21 -0.26 3.45 6.55 -0.74 -2.02 115.95 124.63 1a6r h TRP 13 Ca -0.00 -0.12 0.02 0.00 0.95 0.00 0.00 58.89 59.73 1a6r h TRP 13 Cb 1.14 -0.35 -0.02 0.00 -0.86 0.00 0.00 29.16 29.07 1a6r h TRP 13 CO 0.08 0.95 0.13 -0.97 -1.05 0.00 0.00 178.44 177.58 1a6r h ASN 14 N 1.11 0.19 -0.59 -3.49 -1.24 -0.62 0.54 115.58 111.48 1a6r h ASN 14 Ca 0.24 0.01 0.09 0.00 0.71 0.00 0.00 56.30 57.35 1a6r h ASN 14 Cb 0.31 -0.02 -0.07 0.00 0.73 0.00 0.00 38.32 39.27 1a6r h ASN 14 CO -0.01 0.14 0.22 0.50 -1.29 0.00 0.00 177.43 177.00 1a6r h LYS 15 N 0.27 0.40 -0.45 6.67 3.64 -0.91 -0.63 116.57 125.56 1a6r h LYS 15 Ca 0.11 -0.02 -0.09 0.00 -1.27 0.00 0.00 60.65 59.37 1a6r h LYS 15 Cb 0.04 -0.09 -0.01 0.00 -0.41 0.00 0.00 32.23 31.75 1a6r h LYS 15 CO -0.08 0.26 -0.08 1.49 -2.27 0.00 0.00 179.45 178.77 1a6r h GLU 16 N 0.41 0.85 -0.60 1.90 4.81 -0.80 -3.10 114.58 118.05 1a6r h GLU 16 Ca 0.30 -0.31 -0.09 0.00 -0.13 0.00 0.00 59.36 59.13 1a6r h GLU 16 Cb 0.35 -0.05 -0.02 0.00 0.63 0.00 0.00 28.75 29.65 1a6r h GLU 16 CO -0.29 0.94 0.03 0.74 -0.73 0.00 0.00 179.01 179.70 1a6r h PHE 17 N 0.69 1.10 0.00 0.92 0.04 -0.43 -2.86 116.94 116.39 1a6r h PHE 17 Ca 0.12 -0.17 0.00 0.00 2.80 0.00 0.00 57.97 60.72 1a6r h PHE 17 Cb 0.62 -0.29 0.00 0.00 2.20 0.00 0.00 35.95 38.47 1a6r h PHE 17 CO 0.05 0.96 0.00 1.96 -0.60 0.00 0.00 178.31 180.68 1a6r h GLN 18 N 0.94 0.00 0.00 1.51 1.08 -1.08 -1.53 115.11 116.03 1a6r h GLN 18 Ca 0.18 0.00 0.00 0.00 -1.45 0.00 0.00 58.65 57.38 1a6r h GLN 18 Cb 0.50 0.00 0.00 0.00 -0.05 0.00 0.00 27.48 27.93 1a6r h GLN 18 CO 0.02 0.00 -0.20 -1.13 -0.95 0.00 0.00 178.83 176.57 1a6r n SER 19 N -2.29 0.32 -4.73 1.46 3.41 -1.08 -4.68 113.62 106.03 1a6r n SER 19 Ca 0.00 0.26 -0.38 0.00 -0.26 0.00 0.00 58.87 58.49 1a6r n SER 19 Cb 0.15 -0.26 -0.06 0.00 -0.26 0.00 0.00 64.21 63.78 1a6r n SER 19 CO 0.00 0.00 0.00 -0.62 -0.16 0.00 0.00 175.04 174.26 1a6r s ASP 20 N -3.32 6.75 0.19 4.04 2.15 -0.57 -4.97 116.67 120.93 1a6r s ASP 20 Ca 0.12 0.90 -0.08 0.00 0.43 0.00 0.00 52.55 53.92 1a6r s ASP 20 Cb 0.17 -2.31 0.10 0.00 -0.30 0.00 0.00 42.92 40.59 1a6r s ASP 20 CO 0.61 -0.00 1.64 0.25 -0.17 0.00 0.00 175.17 177.49 1a6r h LEU 21 N 6.61 0.99 -0.80 -1.34 5.85 -1.86 -0.80 115.31 123.97 1a6r h LEU 21 Ca -0.42 -0.30 -0.02 0.00 0.84 0.00 0.00 57.88 57.98 1a6r h LEU 21 Cb 1.18 -0.27 -0.04 0.00 0.37 0.00 0.00 40.66 41.91 1a6r h LEU 21 CO 0.75 1.08 0.42 0.74 -0.34 0.00 0.00 178.44 181.09 1a6r h THR 22 N 0.91 1.24 -0.13 1.05 2.02 -1.93 -1.04 112.91 115.03 1a6r h THR 22 Ca 0.15 -0.64 -0.01 0.00 0.77 0.00 0.00 66.41 66.68 1a6r h THR 22 Cb 0.60 0.19 -0.01 0.00 -1.74 0.00 0.00 68.15 67.20 1a6r h THR 22 CO 0.04 0.28 0.03 -0.74 0.37 0.00 0.00 175.52 175.49 1a6r h HIS 23 N 1.13 0.23 -0.71 3.16 -0.00 -1.72 0.32 115.15 117.55 1a6r h HIS 23 Ca 0.28 -0.03 0.08 0.00 -0.00 0.00 0.00 60.37 60.70 1a6r h HIS 23 Cb 0.06 -0.06 -0.06 0.00 -0.00 0.00 0.00 27.41 27.35 1a6r h HIS 23 CO 0.01 0.38 0.39 1.96 -0.00 0.00 0.00 177.93 180.67 1a6r h GLN 24 N 0.00 0.66 -0.22 5.26 4.20 -1.00 -0.43 115.11 123.59 1a6r h GLN 24 Ca 0.04 -0.04 -0.05 0.00 0.06 0.00 0.00 58.65 58.66 1a6r h GLN 24 Cb 0.27 -0.15 -0.01 0.00 0.30 0.00 0.00 27.48 27.90 1a6r h GLN 24 CO 0.00 0.44 -0.05 1.25 -0.67 0.00 0.00 178.83 179.80 1a6r h LEU 25 N 0.68 0.42 -0.41 1.46 5.85 -0.99 -2.83 115.31 119.49 1a6r h LEU 25 Ca 0.33 -0.37 -0.00 0.00 0.84 0.00 0.00 57.88 58.69 1a6r h LEU 25 Cb 0.27 -0.12 -0.02 0.00 0.37 0.00 0.00 40.66 41.17 1a6r h LEU 25 CO -0.22 0.69 0.26 0.00 -0.34 0.00 0.00 178.44 178.83 1a6r h ALA 26 N 0.74 0.52 0.00 1.25 0.00 -0.55 -1.99 119.26 119.23 1a6r h ALA 26 Ca 0.05 -0.05 -0.07 0.00 0.00 0.00 0.00 54.91 54.85 1a6r h ALA 26 Cb 0.51 -0.17 -0.01 0.00 0.00 0.00 0.00 17.79 18.12 1a6r h ALA 26 CO 0.02 0.00 -0.31 0.00 0.00 0.00 0.00 179.25 178.97 1a6r h THR 27 N 0.55 1.08 0.02 0.00 1.03 -1.14 -0.09 112.91 114.35 1a6r h THR 27 Ca 0.15 -1.12 -0.00 0.00 -0.01 0.00 0.00 66.41 65.43 1a6r h THR 27 Cb -0.02 1.63 0.00 0.00 -1.07 0.00 0.00 68.15 68.69 1a6r h THR 27 CO -0.03 0.30 -0.01 0.74 -0.01 0.00 0.00 175.52 176.52 1a6r h THR 28 N 0.00 1.29 -0.35 0.00 2.02 -1.18 -3.06 112.91 111.64 1a6r h THR 28 Ca -0.00 -0.96 -0.07 0.00 0.77 0.00 0.00 66.41 66.15 1a6r h THR 28 Cb 0.60 1.94 -0.01 0.00 -1.74 0.00 0.00 68.15 68.94 1a6r h THR 28 CO 0.04 0.25 -0.05 0.58 0.37 0.00 0.00 175.52 176.71 1a6r h VAL 29 N -0.44 1.27 0.00 3.16 2.07 -1.21 -3.16 116.25 117.94 1a6r h VAL 29 Ca -0.00 -1.07 0.00 0.00 0.82 0.00 0.00 66.70 66.45 1a6r h VAL 29 Cb 0.42 1.26 0.00 0.00 -1.52 0.00 0.00 31.29 31.46 1a6r h VAL 29 CO 0.00 0.35 0.00 0.18 0.02 0.00 0.00 177.57 178.13 1a6r n LEU 30 N -4.46 0.18 -0.03 2.57 4.77 -0.06 -0.63 117.00 119.34 1a6r n LEU 30 Ca -0.02 0.54 0.12 0.00 -0.03 0.00 0.00 56.01 56.63 1a6r n LEU 30 Cb 0.31 -0.52 0.29 0.00 -2.33 0.00 0.00 43.42 41.18 1a6r n LEU 30 CO 0.41 -0.31 0.52 0.29 -1.33 0.00 0.00 177.39 176.96 1a6r n LYS 31 N -1.70 0.10 -0.09 3.23 5.02 -1.16 -4.42 118.16 119.15 1a6r n LYS 31 Ca 0.03 -0.06 -0.13 0.00 -2.02 0.00 0.00 58.31 56.14 1a6r n LYS 31 Cb 0.20 -1.50 -0.09 0.00 -0.02 0.00 0.00 35.03 33.62 1a6r n LYS 31 CO 0.00 0.00 0.00 0.09 -0.52 0.00 0.00 177.40 176.97 1a6r n ASN 32 N -1.40 2.42 -4.30 4.39 3.02 0.19 -5.04 115.26 114.54 1a6r n ASN 32 Ca 0.06 -0.10 -0.16 0.00 -0.03 0.00 0.00 54.58 54.36 1a6r n ASN 32 Cb 0.34 -0.21 -0.10 0.00 -0.61 0.00 0.00 39.78 39.19 1a6r n ASN 32 CO 0.00 0.00 0.00 -0.31 -2.62 0.00 0.00 177.26 174.33 1a6r s TYR 33 N -2.38 1.49 0.37 3.10 2.02 -0.89 -5.12 117.35 115.94 1a6r s TYR 33 Ca -0.24 -0.74 -0.28 0.00 -0.37 0.00 0.00 57.07 55.43 1a6r s TYR 33 Cb 0.06 -0.77 -0.11 0.00 -0.40 0.00 0.00 41.96 40.74 1a6r s TYR 33 CO 0.45 0.14 1.49 1.21 -1.57 0.00 0.00 175.55 177.27 1a6r s ASN 34 N -3.26 6.37 0.33 2.29 3.84 -1.26 -4.64 114.94 118.61 1a6r s ASN 34 Ca 0.22 3.02 0.09 0.00 0.21 0.00 0.00 52.86 56.40 1a6r s ASN 34 Cb 0.02 -2.66 0.82 0.00 -0.55 0.00 0.00 41.25 38.88 1a6r s ASN 34 CO 0.05 -0.86 1.80 0.00 -2.79 0.00 0.00 177.10 175.30 1a6r h ALA 35 N 3.19 1.82 -0.13 1.71 0.00 -1.96 -0.25 119.26 123.63 1a6r h ALA 35 Ca -0.50 0.06 -0.11 0.00 0.00 0.00 0.00 54.91 54.35 1a6r h ALA 35 Cb 1.24 -0.08 -0.01 0.00 0.00 0.00 0.00 17.79 18.94 1a6r h ALA 35 CO 0.66 -0.16 -0.41 -0.44 0.00 0.00 0.00 179.25 178.90 1a6r h ASP 36 N 0.68 0.32 -0.09 0.00 3.32 -1.96 0.27 116.42 118.96 1a6r h ASP 36 Ca 0.54 -0.14 -0.07 0.00 0.02 0.00 0.00 57.03 57.38 1a6r h ASP 36 Cb 0.95 -0.09 0.00 0.00 0.22 0.00 0.00 39.33 40.41 1a6r h ASP 36 CO -0.31 0.70 -0.23 0.44 -1.72 0.00 0.00 179.24 178.12 1a6r h ASP 37 N 0.25 0.36 -0.21 6.45 3.32 -1.48 -2.14 116.42 122.98 1a6r h ASP 37 Ca 0.02 -0.59 -0.02 0.00 0.02 0.00 0.00 57.03 56.46 1a6r h ASP 37 Cb 0.84 -0.10 -0.01 0.00 0.22 0.00 0.00 39.33 40.28 1a6r h ASP 37 CO 0.07 0.89 0.07 0.00 -1.72 0.00 0.00 179.24 178.54 1a6r h ALA 38 N 0.48 0.27 -0.00 3.45 0.00 -0.98 -3.26 119.26 119.22 1a6r h ALA 38 Ca -0.00 -0.13 0.00 0.00 0.00 0.00 0.00 54.91 54.78 1a6r h ALA 38 Cb 0.85 -0.08 0.00 0.00 0.00 0.00 0.00 17.79 18.56 1a6r h ALA 38 CO 0.05 -0.12 -0.18 1.28 0.00 0.00 0.00 179.25 180.29 1a6r n LEU 39 N -4.80 0.47 -4.61 0.00 4.77 0.92 -4.91 117.00 108.84 1a6r n LEU 39 Ca -0.04 0.05 -0.52 0.00 -0.03 0.00 0.00 56.01 55.47 1a6r n LEU 39 Cb 0.14 -0.24 -0.06 0.00 -2.33 0.00 0.00 43.42 40.94 1a6r n LEU 39 CO 0.35 0.09 0.99 -0.11 -1.33 0.00 0.00 177.39 177.39 1a6r n LEU 40 N -1.10 1.92 -4.29 2.23 7.94 -0.80 -0.72 117.00 122.18 1a6r n LEU 40 Ca 0.11 1.11 -0.45 0.00 -1.11 0.00 0.00 56.01 55.67 1a6r n LEU 40 Cb 0.30 -1.21 -0.05 0.00 0.53 0.00 0.00 43.42 42.99 1a6r n LEU 40 CO 0.26 -0.87 0.18 0.21 -1.11 0.00 0.00 177.39 176.06 1a6r s ASN 41 N 0.96 6.21 0.53 1.96 3.04 0.09 -4.84 114.94 122.89 1a6r s ASN 41 Ca 0.86 -2.11 0.29 0.00 0.04 0.00 0.00 52.86 51.94 1a6r s ASN 41 Cb -0.93 -2.16 1.47 0.00 -1.54 0.00 0.00 41.25 38.09 1a6r s ASN 41 CO 0.48 -0.73 2.06 0.11 -3.04 0.00 0.00 177.10 175.99 1a6r h LYS 42 N 8.42 0.00 -0.46 0.43 1.57 -1.90 0.16 116.57 124.79 1a6r h LYS 42 Ca -0.16 0.00 -0.05 0.00 -1.87 0.00 0.00 60.65 58.57 1a6r h LYS 42 Cb 1.07 0.00 -0.02 0.00 0.08 0.00 0.00 32.23 33.36 1a6r h LYS 42 CO 0.91 0.11 0.09 1.15 -0.57 0.00 0.00 179.45 181.14 1a6r h THR 43 N 0.00 1.24 -0.08 -0.16 2.02 -1.96 -0.18 112.91 113.80 1a6r h THR 43 Ca -0.00 -0.87 -0.05 0.00 0.77 0.00 0.00 66.41 66.26 1a6r h THR 43 Cb 0.37 0.93 0.00 0.00 -1.74 0.00 0.00 68.15 67.70 1a6r h THR 43 CO 0.01 0.31 -0.14 -0.09 0.37 0.00 0.00 175.52 175.98 1a6r h ARG 44 N 0.62 0.23 -0.90 6.66 9.65 -1.75 -3.24 114.38 125.66 1a6r h ARG 44 Ca 0.14 -0.15 0.09 0.00 -1.10 0.00 0.00 59.98 58.97 1a6r h ARG 44 Cb 0.36 0.02 -0.07 0.00 -1.39 0.00 0.00 29.97 28.89 1a6r h ARG 44 CO 0.01 0.73 0.54 1.25 2.80 0.00 0.00 179.97 185.30 1a6r h LEU 45 N -0.24 0.81 -1.23 3.80 5.85 -0.92 0.12 115.31 123.51 1a6r h LEU 45 Ca 0.00 0.04 0.15 0.00 0.84 0.00 0.00 57.88 58.91 1a6r h LEU 45 Cb 0.72 -0.13 -0.08 0.00 0.37 0.00 0.00 40.66 41.55 1a6r h LEU 45 CO 0.03 0.47 0.59 -0.61 -0.34 0.00 0.00 178.44 178.59 1a6r h GLN 46 N 0.92 0.71 0.16 1.25 5.75 -1.05 -0.28 115.11 122.57 1a6r h GLN 46 Ca 0.42 -0.04 -0.36 0.00 -0.15 0.00 0.00 58.65 58.52 1a6r h GLN 46 Cb 0.33 -0.16 -0.00 0.00 1.07 0.00 0.00 27.48 28.72 1a6r h GLN 46 CO -0.23 0.47 -1.86 -0.22 -2.65 0.00 0.00 178.83 174.34 1a6r h LYS 47 N 0.73 0.33 0.00 1.69 3.64 -1.21 -3.39 116.57 118.36 1a6r h LYS 47 Ca 0.47 -0.56 -0.11 0.00 -1.27 0.00 0.00 60.65 59.18 1a6r h LYS 47 Cb 0.73 0.21 -0.02 0.00 -0.41 0.00 0.00 32.23 32.74 1a6r h LYS 47 CO -0.23 1.27 -0.51 1.96 -2.27 0.00 0.00 179.45 179.67 1a6r h GLN 48 N 0.08 0.00 -5.64 1.90 1.08 -0.30 -3.37 115.11 108.86 1a6r h GLN 48 Ca -0.38 0.00 -0.64 0.00 -1.45 0.00 0.00 58.65 56.17 1a6r h GLN 48 Cb 2.06 0.00 -0.07 0.00 -0.05 0.00 0.00 27.48 29.42 1a6r h GLN 48 CO 0.13 0.51 2.17 -3.47 -0.95 0.00 0.00 178.83 177.22 1a6r n ASP 49 N -3.67 4.61 -4.07 1.46 -0.08 -0.16 -4.87 116.55 109.78 1a6r n ASP 49 Ca -0.01 -2.89 -0.32 0.00 -1.51 0.00 0.00 54.79 50.07 1a6r n ASP 49 Cb 0.57 -1.73 -0.16 0.00 2.34 0.00 0.00 41.12 42.15 1a6r n ASP 49 CO 0.00 0.00 0.00 0.21 0.12 0.00 0.00 177.20 177.53 1a6r s ASN 50 N 4.39 3.72 -0.40 1.67 3.84 -1.26 -4.99 114.94 121.91 1a6r s ASN 50 Ca 0.55 -1.01 0.06 0.00 0.21 0.00 0.00 52.86 52.67 1a6r s ASN 50 Cb 0.05 -1.44 0.65 0.00 -0.55 0.00 0.00 41.25 39.96 1a6r s ASN 50 CO 0.07 -0.11 1.82 0.54 -2.79 0.00 0.00 177.10 176.63 1a6r n ARG 51 N 4.56 2.39 -3.73 0.43 5.12 -1.26 -4.90 116.66 119.28 1a6r n ARG 51 Ca -0.16 -3.05 -0.36 0.00 -1.93 0.00 0.00 57.85 52.34 1a6r n ARG 51 Cb 0.46 -2.12 -0.10 0.00 -1.16 0.00 0.00 32.46 29.54 1a6r n ARG 51 CO 0.00 0.00 0.00 0.08 -1.93 0.00 0.00 177.63 175.78 1a6r s VAL 52 N -3.25 5.21 -0.13 1.55 1.01 -1.26 -5.07 120.40 118.46 1a6r s VAL 52 Ca 0.55 0.12 -0.02 0.00 0.00 0.00 0.00 61.98 62.63 1a6r s VAL 52 Cb 0.46 -3.41 0.04 0.00 0.00 0.00 0.00 36.38 33.47 1a6r s VAL 52 CO 0.09 0.37 0.01 -0.36 0.00 0.00 0.00 175.10 175.21 1a6r s PHE 53 N 0.91 0.97 -1.49 5.22 0.08 -1.26 -4.79 117.98 117.62 1a6r s PHE 53 Ca 0.07 -0.58 0.28 0.00 0.12 0.00 0.00 56.93 56.82 1a6r s PHE 53 Cb -0.13 -0.97 1.46 0.00 -0.57 0.00 0.00 43.02 42.81 1a6r s PHE 53 CO 0.03 -0.49 1.99 0.27 -0.10 0.00 0.00 175.22 176.92 1a6r n ASN 54 N 5.07 0.00 -3.62 1.36 0.23 -1.18 -4.43 115.26 112.68 1a6r n ASN 54 Ca -0.09 -0.20 -0.29 0.00 -0.53 0.00 0.00 54.58 53.47 1a6r n ASN 54 Cb 0.49 -0.26 -0.14 0.00 -2.08 0.00 0.00 39.78 37.80 1a6r n ASN 54 CO 0.00 0.00 0.00 -0.89 -0.93 0.00 0.00 177.26 175.44 1a6r s THR 55 N -2.51 0.71 0.14 5.53 2.01 -0.60 -4.98 115.64 115.95 1a6r s THR 55 Ca 0.29 -1.77 0.06 0.00 0.31 0.00 0.00 61.69 60.58 1a6r s THR 55 Cb 0.19 -1.52 -0.04 0.00 0.01 0.00 0.00 72.50 71.14 1a6r s THR 55 CO 0.42 -0.84 -0.13 0.68 -0.69 0.00 0.00 174.62 174.06 1a6r s VAL 56 N 1.13 1.34 0.34 3.82 -7.23 -1.26 -0.72 120.40 117.82 1a6r s VAL 56 Ca 0.14 -1.91 -0.27 0.00 -1.81 0.00 0.00 61.98 58.14 1a6r s VAL 56 Cb -0.21 -1.71 -0.09 0.00 0.56 0.00 0.00 36.38 34.92 1a6r s VAL 56 CO -0.11 -0.56 1.08 0.68 -0.31 0.00 0.00 175.10 175.88 1a6r s VAL 57 N -2.66 3.58 0.28 1.32 -7.23 -0.92 -4.89 120.40 109.87 1a6r s VAL 57 Ca 0.14 1.40 0.00 0.00 -1.81 0.00 0.00 61.98 61.70 1a6r s VAL 57 Cb -0.02 -3.81 0.10 0.00 0.56 0.00 0.00 36.38 33.21 1a6r s VAL 57 CO 0.03 0.19 1.76 0.77 -0.31 0.00 0.00 175.10 177.54 1a6r h SER 58 N 3.16 0.64 -3.44 4.85 4.64 -1.92 -3.44 113.55 118.04 1a6r h SER 58 Ca -0.47 -0.17 -0.54 0.00 -0.47 0.00 0.00 61.79 60.13 1a6r h SER 58 Cb 1.21 -0.17 -0.04 0.00 -0.31 0.00 0.00 62.40 63.10 1a6r h SER 58 CO 0.65 0.77 0.17 -0.89 -0.87 0.00 0.00 176.83 176.65 1a6r s THR 59 N -4.81 4.69 0.36 2.95 2.01 -1.26 -5.06 115.64 114.53 1a6r s THR 59 Ca -0.08 1.66 -0.13 0.00 0.31 0.00 0.00 61.69 63.44 1a6r s THR 59 Cb 0.14 -4.13 -0.08 0.00 0.01 0.00 0.00 72.50 68.45 1a6r s THR 59 CO 0.80 0.38 0.75 -1.81 -0.69 0.00 0.00 174.62 174.05 1a6r s ASP 60 N -0.15 6.65 -1.13 3.53 1.01 -1.26 -5.00 116.67 120.32 1a6r s ASP 60 Ca 0.39 1.21 -0.18 0.00 0.71 0.00 0.00 52.55 54.67 1a6r s ASP 60 Cb -0.21 -2.35 0.11 0.00 1.01 0.00 0.00 42.92 41.48 1a6r s ASP 60 CO 0.24 -0.30 1.44 -0.44 0.21 0.00 0.00 175.17 176.32 1a6r s SER 61 N -2.72 6.79 -0.10 0.27 0.01 -1.26 -4.97 113.70 111.72 1a6r s SER 61 Ca 0.53 -2.30 0.02 0.00 1.31 0.00 0.00 55.95 55.50 1a6r s SER 61 Cb -0.10 -2.48 0.01 0.00 0.21 0.00 0.00 66.02 63.66 1a6r s SER 61 CO 0.24 -1.09 -0.15 0.42 0.41 0.00 0.00 173.24 173.08 1a6r s THR 62 N 3.24 1.43 0.72 1.44 -4.23 -1.26 -3.69 115.64 113.29 1a6r s THR 62 Ca 0.44 -0.61 -0.06 0.00 -1.18 0.00 0.00 61.69 60.27 1a6r s THR 62 Cb -0.01 -1.31 0.08 0.00 1.34 0.00 0.00 72.50 72.60 1a6r s THR 62 CO -0.02 0.43 1.03 -2.16 -0.54 0.00 0.00 174.62 173.35 1a6r s PRO 63 N 0.95 2.03 0.40 3.99 0.04 -1.26 -1.30 135.00 139.85 1a6r s PRO 63 Ca -0.08 -0.38 -0.25 0.00 0.04 0.00 0.00 61.00 60.33 1a6r s PRO 63 Cb -0.15 -2.17 -0.08 0.00 0.04 0.00 0.00 34.50 32.13 1a6r s PRO 63 CO -0.01 -1.34 1.22 0.08 0.04 0.00 0.00 177.00 177.00 1a6r s VAL 64 N -3.27 2.94 0.29 -0.36 1.01 -1.24 -4.96 120.40 114.81 1a6r s VAL 64 Ca 0.62 0.81 0.03 0.00 0.00 0.00 0.00 61.98 63.44 1a6r s VAL 64 Cb -0.10 -3.46 -0.03 0.00 0.00 0.00 0.00 36.38 32.79 1a6r s VAL 64 CO 0.45 0.09 0.45 0.42 0.00 0.00 0.00 175.10 176.51 1a6r s THR 65 N -1.35 5.18 -0.13 3.92 -4.23 -1.26 -4.70 115.64 113.07 1a6r s THR 65 Ca 0.57 -0.73 -0.04 0.00 -1.18 0.00 0.00 61.69 60.31 1a6r s THR 65 Cb -0.33 -3.86 0.05 0.00 1.34 0.00 0.00 72.50 69.70 1a6r s THR 65 CO 0.42 -0.44 0.10 0.21 -0.54 0.00 0.00 174.62 174.37 1a6r s ASN 66 N -4.01 1.78 0.40 3.99 3.84 -1.26 -1.25 114.94 118.44 1a6r s ASN 66 Ca 0.37 -0.30 0.26 0.00 0.21 0.00 0.00 52.86 53.40 1a6r s ASN 66 Cb -0.09 -0.11 0.76 0.00 -0.55 0.00 0.00 41.25 41.26 1a6r s ASN 66 CO 0.32 -0.31 1.75 0.06 -2.79 0.00 0.00 177.10 176.13 1a6r h GLN 67 N 8.41 0.00 0.00 0.43 3.07 -1.45 -3.47 115.11 122.10 1a6r h GLN 67 Ca -0.14 0.00 0.00 0.00 0.09 0.00 0.00 58.65 58.60 1a6r h GLN 67 Cb 1.14 0.00 0.00 0.00 0.08 0.00 0.00 27.48 28.70 1a6r h GLN 67 CO 0.24 0.00 0.00 1.63 0.09 0.00 0.00 178.83 180.79 1a6r n LYS 68 N -2.84 0.00 -2.41 0.06 4.76 -1.26 -3.75 118.16 112.72 1a6r n LYS 68 Ca 0.03 0.00 -0.43 0.00 -2.87 0.00 0.00 58.31 55.04 1a6r n LYS 68 Cb 0.42 0.00 0.00 0.00 -1.84 0.00 0.00 35.03 33.62 1a6r n LYS 68 CO 0.00 0.00 0.00 0.43 -1.37 0.00 0.00 177.40 176.46 1a6r n SER 69 N -1.97 4.89 -3.74 4.39 7.64 -0.04 -4.84 113.62 119.95 1a6r n SER 69 Ca 0.00 -3.01 -0.10 0.00 1.01 0.00 0.00 58.87 56.78 1a6r n SER 69 Cb 0.00 -1.57 -0.06 0.00 -1.01 0.00 0.00 64.21 61.58 1a6r n SER 69 CO 0.00 0.00 0.00 -0.94 -3.01 0.00 0.00 175.04 171.09 1a6r s SER 70 N 2.18 -0.07 -0.80 6.43 1.04 -1.25 -2.23 113.70 119.00 1a6r s SER 70 Ca 0.43 -0.47 -0.01 0.00 0.48 0.00 0.00 55.95 56.38 1a6r s SER 70 Cb 0.07 0.41 0.36 0.00 0.10 0.00 0.00 66.02 66.96 1a6r s SER 70 CO -0.00 -0.79 1.96 0.61 0.98 0.00 0.00 173.24 176.00 1a6r n GLY 71 N -0.14 5.59 1.22 7.32 0.00 -1.26 -4.72 105.19 113.20 1a6r n GLY 71 Ca -0.16 -2.49 0.09 0.00 0.00 0.00 0.00 46.02 43.46 1a6r n GLY 71 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1a6r n ARG 72 N -0.57 2.77 -0.30 1.61 1.74 -1.11 -2.93 116.66 117.87 1a6r n ARG 72 Ca 0.54 -2.23 0.13 0.00 -0.77 0.00 0.00 57.85 55.52 1a6r n ARG 72 Cb 0.30 -1.61 0.30 0.00 -1.02 0.00 0.00 32.46 30.42 1a6r n ARG 72 CO 0.00 0.00 0.00 0.00 -1.52 0.00 0.00 177.63 176.11 1a6r h ALA 73 N 3.98 1.33 -0.60 7.54 0.00 -1.32 0.28 119.26 130.47 1a6r h ALA 73 Ca 0.00 0.20 0.01 0.00 0.00 0.00 0.00 54.91 55.13 1a6r h ALA 73 Cb 1.00 0.26 -0.03 0.00 0.00 0.00 0.00 17.79 19.01 1a6r h ALA 73 CO 0.09 -0.43 0.40 0.11 0.00 0.00 0.00 179.25 179.42 1a6r h TRP 74 N 0.27 0.74 -0.20 0.00 5.08 -1.80 0.20 115.95 120.23 1a6r h TRP 74 Ca 0.55 0.02 -0.18 0.00 1.08 0.00 0.00 58.89 60.37 1a6r h TRP 74 Cb 1.10 -0.25 0.00 0.00 -3.00 0.00 0.00 29.16 27.02 1a6r h TRP 74 CO -0.22 0.46 -0.56 -0.07 -1.28 0.00 0.00 178.44 176.77 1a6r h LEU 75 N 0.79 0.85 -0.20 0.11 3.38 -0.84 -1.84 115.31 117.56 1a6r h LEU 75 Ca 0.23 -0.58 -0.04 0.00 0.09 0.00 0.00 57.88 57.58 1a6r h LEU 75 Cb -0.04 -0.25 -0.01 0.00 0.09 0.00 0.00 40.66 40.45 1a6r h LEU 75 CO -0.05 1.27 -0.02 -0.26 0.09 0.00 0.00 178.44 179.47 1a6r h PHE 76 N 0.46 0.40 -0.58 1.13 -1.00 -0.66 -2.21 116.94 114.48 1a6r h PHE 76 Ca -0.01 -0.08 -0.02 0.00 2.81 0.00 0.00 57.97 60.67 1a6r h PHE 76 Cb 1.18 -0.10 -0.03 0.00 3.61 0.00 0.00 35.95 40.61 1a6r h PHE 76 CO 0.09 0.58 0.29 0.00 -1.61 0.00 0.00 178.31 177.66 1a6r h ALA 77 N 0.76 0.75 -0.39 2.45 0.00 -0.68 0.46 119.26 122.62 1a6r h ALA 77 Ca 0.05 -0.13 -0.02 0.00 0.00 0.00 0.00 54.91 54.81 1a6r h ALA 77 Cb 0.44 -0.23 -0.02 0.00 0.00 0.00 0.00 17.79 17.98 1a6r h ALA 77 CO 0.01 0.31 0.15 0.00 0.00 0.00 0.00 179.25 179.72 1a6r h ALA 78 N 1.12 0.51 0.00 0.00 0.00 -1.35 -1.98 119.26 117.56 1a6r h ALA 78 Ca 0.20 -0.14 -0.15 0.00 0.00 0.00 0.00 54.91 54.82 1a6r h ALA 78 Cb 0.11 -0.15 -0.02 0.00 0.00 0.00 0.00 17.79 17.72 1a6r h ALA 78 CO -0.03 0.12 -0.72 1.79 0.00 0.00 0.00 179.25 180.41 1a6r h THR 79 N 0.49 1.48 -0.29 0.00 1.35 -1.28 -2.98 112.91 111.67 1a6r h THR 79 Ca 0.13 -2.50 -0.05 0.00 -0.55 0.00 0.00 66.41 63.44 1a6r h THR 79 Cb 0.20 2.36 -0.02 0.00 -1.73 0.00 0.00 68.15 68.96 1a6r h THR 79 CO -0.01 0.71 -0.03 0.78 -0.25 0.00 0.00 175.52 176.72 1a6r h ASN 80 N 0.00 0.43 -0.13 5.36 2.35 0.15 0.15 115.58 123.89 1a6r h ASN 80 Ca -0.01 -0.08 -0.02 0.00 -0.55 0.00 0.00 56.30 55.64 1a6r h ASN 80 Cb 1.31 -0.11 -0.00 0.00 0.05 0.00 0.00 38.32 39.56 1a6r h ASN 80 CO 0.09 0.52 -0.01 -0.61 -1.65 0.00 0.00 177.43 175.77 1a6r h GLN 81 N 0.44 0.23 -0.01 0.81 4.15 -1.22 -3.30 115.11 116.20 1a6r h GLN 81 Ca 0.09 -0.08 -0.19 0.00 0.77 0.00 0.00 58.65 59.24 1a6r h GLN 81 Cb 0.33 -0.02 -0.01 0.00 0.21 0.00 0.00 27.48 28.00 1a6r h GLN 81 CO 0.01 0.49 -0.84 -0.07 -1.93 0.00 0.00 178.83 176.50 1a6r h LEU 82 N -0.05 0.33 -2.48 -2.39 3.38 -1.35 -3.29 115.31 109.46 1a6r h LEU 82 Ca 0.03 -0.25 0.02 0.00 0.09 0.00 0.00 57.88 57.77 1a6r h LEU 82 Cb 0.40 -0.10 -0.00 0.00 0.09 0.00 0.00 40.66 41.04 1a6r h LEU 82 CO 0.01 1.03 0.10 0.08 0.09 0.00 0.00 178.44 179.75 1a6r h ARG 83 N 0.16 0.00 0.00 1.13 0.11 -0.79 0.43 114.38 115.42 1a6r h ARG 83 Ca -0.04 0.00 -0.03 0.00 0.10 0.00 0.00 59.98 60.00 1a6r h ARG 83 Cb 1.45 0.00 -0.00 0.00 1.11 0.00 0.00 29.97 32.52 1a6r h ARG 83 CO 0.13 0.00 -0.16 -0.07 0.10 0.00 0.00 179.97 179.97 1a6r h LEU 84 N 0.00 0.00 -0.58 0.08 4.07 -1.67 0.41 115.31 117.62 1a6r h LEU 84 Ca 0.03 0.00 -0.15 0.00 0.08 0.00 0.00 57.88 57.84 1a6r h LEU 84 Cb 0.23 0.00 -0.01 0.00 1.08 0.00 0.00 40.66 41.96 1a6r h LEU 84 CO -0.00 0.16 -0.48 0.78 -1.08 0.00 0.00 178.44 177.82 1a6r h ASN 85 N 0.00 0.62 0.00 -0.43 2.35 -1.12 -2.06 115.58 114.94 1a6r h ASN 85 Ca -0.00 -0.31 -0.01 0.00 -0.55 0.00 0.00 56.30 55.43 1a6r h ASN 85 Cb 0.30 -0.18 0.00 0.00 0.05 0.00 0.00 38.32 38.49 1a6r h ASN 85 CO 0.02 1.00 -0.06 0.58 -1.65 0.00 0.00 177.43 177.33 1a6r h VAL 86 N 0.45 1.64 -0.68 2.81 2.07 -1.50 -1.79 116.25 119.26 1a6r h VAL 86 Ca 0.02 -1.95 0.14 0.00 0.82 0.00 0.00 66.70 65.74 1a6r h VAL 86 Cb 1.01 2.95 -0.12 0.00 -1.52 0.00 0.00 31.29 33.60 1a6r h VAL 86 CO 0.09 0.51 -0.10 -0.07 0.02 0.00 0.00 177.57 178.03 1a6r h LEU 87 N -0.76 -0.49 -0.03 2.57 3.38 -0.93 0.11 115.31 119.16 1a6r h LEU 87 Ca -0.01 0.19 -0.03 0.00 0.09 0.00 0.00 57.88 58.12 1a6r h LEU 87 Cb 0.87 0.37 0.00 0.00 0.09 0.00 0.00 40.66 41.99 1a6r h LEU 87 CO 0.01 -0.19 -0.11 0.77 0.09 0.00 0.00 178.44 179.01 1a6r h SER 88 N 0.04 0.14 -0.49 -0.43 4.64 -1.46 -1.87 113.55 114.13 1a6r h SER 88 Ca 0.34 -0.65 -0.01 0.00 -0.47 0.00 0.00 61.79 61.01 1a6r h SER 88 Cb 0.56 -0.04 -0.02 0.00 -0.31 0.00 0.00 62.40 62.58 1a6r h SER 88 CO -0.65 0.77 0.28 -0.08 -0.87 0.00 0.00 176.83 176.27 1a6r h GLU 89 N -0.48 0.67 -0.41 4.77 4.81 -0.75 -2.91 114.58 120.27 1a6r h GLU 89 Ca -0.01 -0.07 0.00 0.00 -0.13 0.00 0.00 59.36 59.15 1a6r h GLU 89 Cb 0.76 -0.14 0.00 0.00 0.63 0.00 0.00 28.75 30.00 1a6r h GLU 89 CO 0.02 0.51 0.00 1.28 -0.73 0.00 0.00 179.01 180.09 1a6r n LEU 90 N -4.68 2.42 -3.64 1.64 4.77 0.34 -4.96 117.00 112.88 1a6r n LEU 90 Ca 0.02 -1.17 -0.29 0.00 -0.03 0.00 0.00 56.01 54.54 1a6r n LEU 90 Cb 0.07 -0.27 0.04 0.00 -2.33 0.00 0.00 43.42 40.93 1a6r n LEU 90 CO 0.36 0.58 -0.07 -3.20 -1.33 0.00 0.00 177.39 173.74 1a6r n ASN 91 N 0.82 -5.15 -4.83 -1.43 4.05 -1.09 -4.75 115.26 102.88 1a6r n ASN 91 Ca 0.16 -0.98 -0.34 0.00 0.45 0.00 0.00 54.58 53.87 1a6r n ASN 91 Cb 0.40 -3.60 -0.06 0.00 1.23 0.00 0.00 39.78 37.74 1a6r n ASN 91 CO 0.00 0.00 0.00 -0.76 -3.05 0.00 0.00 177.26 173.45 1a6r s LEU 92 N -6.38 4.11 0.02 1.20 1.43 -0.72 -0.38 118.68 117.97 1a6r s LEU 92 Ca 0.44 0.28 -0.19 0.00 -1.03 0.00 0.00 54.13 53.62 1a6r s LEU 92 Cb -0.15 -2.27 -0.20 0.00 0.03 0.00 0.00 46.19 43.60 1a6r s LEU 92 CO 0.85 0.31 1.18 0.50 0.23 0.00 0.00 176.35 179.42 1a6r h LYS 93 N 4.33 0.43 -3.80 1.70 3.64 -1.88 -3.46 116.57 117.53 1a6r h LYS 93 Ca -0.51 -0.37 -0.29 0.00 -1.27 0.00 0.00 60.65 58.21 1a6r h LYS 93 Cb 1.20 0.08 -0.31 0.00 -0.41 0.00 0.00 32.23 32.79 1a6r h LYS 93 CO 0.62 1.02 -0.74 -1.21 -2.27 0.00 0.00 179.45 176.87 1a6r s GLU 94 N -3.54 0.16 -0.15 1.90 2.02 -1.26 -4.73 118.70 113.10 1a6r s GLU 94 Ca -0.13 0.02 -0.19 0.00 0.02 0.00 0.00 54.97 54.68 1a6r s GLU 94 Cb 0.04 -0.26 0.05 0.00 0.10 0.00 0.00 34.13 34.07 1a6r s GLU 94 CO 0.81 -0.04 0.51 0.12 0.02 0.00 0.00 175.26 176.68 1a6r s PHE 95 N 0.44 -0.53 -0.02 1.61 5.36 -0.42 -4.91 117.98 119.52 1a6r s PHE 95 Ca -0.04 1.19 -0.01 0.00 -0.96 0.00 0.00 56.93 57.11 1a6r s PHE 95 Cb -0.06 0.21 0.01 0.00 -0.34 0.00 0.00 43.02 42.83 1a6r s PHE 95 CO -0.01 -0.34 0.04 -1.21 -1.46 0.00 0.00 175.22 172.24 1a6r s GLU 96 N -0.18 0.05 0.37 10.12 2.02 -1.26 -4.50 118.70 125.32 1a6r s GLU 96 Ca -0.04 0.07 -0.12 0.00 0.02 0.00 0.00 54.97 54.90 1a6r s GLU 96 Cb -0.03 0.01 -0.07 0.00 0.10 0.00 0.00 34.13 34.13 1a6r s GLU 96 CO 0.03 -0.02 0.76 -0.51 0.02 0.00 0.00 175.26 175.54 1a6r s LEU 97 N 0.09 3.92 -0.18 1.80 1.43 -1.26 -0.91 118.68 123.58 1a6r s LEU 97 Ca -0.01 1.20 -0.29 0.00 -1.03 0.00 0.00 54.13 54.00 1a6r s LEU 97 Cb -0.01 -4.05 -0.03 0.00 0.03 0.00 0.00 46.19 42.13 1a6r s LEU 97 CO -0.00 -0.32 1.61 -0.55 0.23 0.00 0.00 176.35 177.31 1a6r s SER 98 N -2.80 6.48 -0.02 2.29 0.15 0.73 -4.34 113.70 116.19 1a6r s SER 98 Ca 0.52 1.78 -0.03 0.00 0.70 0.00 0.00 55.95 58.92 1a6r s SER 98 Cb -0.10 -2.53 -0.28 0.00 -1.71 0.00 0.00 66.02 61.40 1a6r s SER 98 CO 0.26 -1.15 0.76 1.56 1.20 0.00 0.00 173.24 175.87 1a6r h GLN 99 N 10.30 0.25 -0.49 5.44 7.50 -1.90 -3.32 115.11 132.90 1a6r h GLN 99 Ca -0.35 -0.43 -0.02 0.00 0.50 0.00 0.00 58.65 58.35 1a6r h GLN 99 Cb 1.16 0.16 -0.02 0.00 0.05 0.00 0.00 27.48 28.82 1a6r h GLN 99 CO 0.99 1.11 0.24 0.00 -1.50 0.00 0.00 178.83 179.66 1a6r h ALA 100 N 0.43 1.50 -0.02 3.87 0.00 -1.85 -1.47 119.26 121.72 1a6r h ALA 100 Ca -0.28 -0.10 0.03 0.00 0.00 0.00 0.00 54.91 54.56 1a6r h ALA 100 Cb 2.03 -0.20 -0.04 0.00 0.00 0.00 0.00 17.79 19.57 1a6r h ALA 100 CO 0.15 0.40 -0.23 -0.92 0.00 0.00 0.00 179.25 178.65 1a6r h TYR 101 N 0.68 -0.62 -0.69 0.00 3.20 -1.81 0.10 116.97 117.84 1a6r h TYR 101 Ca 0.17 0.02 -0.06 0.00 3.14 0.00 0.00 58.73 62.00 1a6r h TYR 101 Cb 0.07 0.28 -0.03 0.00 1.54 0.00 0.00 36.73 38.59 1a6r h TYR 101 CO 0.01 -0.32 0.19 -0.07 -1.64 0.00 0.00 178.16 176.33 1a6r h LEU 102 N -0.35 1.00 -0.21 2.82 3.38 -1.63 -3.10 115.31 117.22 1a6r h LEU 102 Ca 0.07 -0.19 0.01 0.00 0.09 0.00 0.00 57.88 57.86 1a6r h LEU 102 Cb 0.45 -0.26 -0.02 0.00 0.09 0.00 0.00 40.66 40.92 1a6r h LEU 102 CO -0.23 0.95 0.10 0.15 0.09 0.00 0.00 178.44 179.50 1a6r h PHE 103 N 1.02 0.19 0.14 1.13 3.57 -0.67 -0.26 116.94 122.07 1a6r h PHE 103 Ca 0.22 0.01 0.00 0.00 3.53 0.00 0.00 57.97 61.73 1a6r h PHE 103 Cb 0.32 -0.05 -0.01 0.00 2.79 0.00 0.00 35.95 38.99 1a6r h PHE 103 CO 0.02 0.11 -0.15 0.35 -2.23 0.00 0.00 178.31 176.42 1a6r h PHE 104 N 0.22 -0.38 -0.36 0.41 3.57 -0.94 -2.31 116.94 117.15 1a6r h PHE 104 Ca 0.09 0.00 -0.09 0.00 3.53 0.00 0.00 57.97 61.50 1a6r h PHE 104 Cb 0.02 0.15 -0.02 0.00 2.79 0.00 0.00 35.95 38.90 1a6r h PHE 104 CO -0.10 -0.22 -0.13 1.88 -2.23 0.00 0.00 178.31 177.51 1a6r h TYR 105 N -0.32 0.70 -0.59 0.41 0.05 -1.47 -2.21 116.97 113.53 1a6r h TYR 105 Ca 0.01 -0.12 -0.02 0.00 0.05 0.00 0.00 58.73 58.65 1a6r h TYR 105 Cb 0.30 -0.18 -0.03 0.00 1.01 0.00 0.00 36.73 37.84 1a6r h TYR 105 CO -0.13 0.74 0.30 0.22 -1.05 0.00 0.00 178.16 178.24 1a6r h ASP 106 N 0.58 0.76 -0.17 3.88 3.58 -0.97 0.75 116.42 124.83 1a6r h ASP 106 Ca 0.10 -0.11 -0.15 0.00 0.42 0.00 0.00 57.03 57.28 1a6r h ASP 106 Cb 0.56 -0.19 -0.01 0.00 1.72 0.00 0.00 39.33 41.41 1a6r h ASP 106 CO 0.04 0.66 -0.44 0.50 -2.88 0.00 0.00 179.24 177.11 1a6r h LYS 107 N 0.81 0.73 -0.19 0.28 3.64 -1.20 0.24 116.57 120.87 1a6r h LYS 107 Ca 0.21 -0.40 -0.05 0.00 -1.27 0.00 0.00 60.65 59.14 1a6r h LYS 107 Cb 0.08 0.02 -0.01 0.00 -0.41 0.00 0.00 32.23 31.92 1a6r h LYS 107 CO -0.03 1.02 -0.07 1.25 -2.27 0.00 0.00 179.45 179.35 1a6r h LEU 108 N 0.58 0.39 -0.94 5.20 5.85 -1.20 -1.65 115.31 123.55 1a6r h LEU 108 Ca 0.04 -0.39 -0.03 0.00 0.84 0.00 0.00 57.88 58.34 1a6r h LEU 108 Cb 1.00 -0.11 -0.04 0.00 0.37 0.00 0.00 40.66 41.88 1a6r h LEU 108 CO 0.09 0.69 0.41 -0.33 -0.34 0.00 0.00 178.44 178.96 1a6r h GLU 109 N 0.09 1.17 -0.40 1.25 4.39 -0.72 -2.09 114.58 118.27 1a6r h GLU 109 Ca 0.05 -0.16 -0.06 0.00 0.34 0.00 0.00 59.36 59.53 1a6r h GLU 109 Cb 0.53 -0.22 -0.01 0.00 -0.10 0.00 0.00 28.75 28.95 1a6r h GLU 109 CO 0.02 0.89 0.01 0.87 -1.16 0.00 0.00 179.01 179.64 1a6r h LYS 110 N 1.16 0.70 -0.51 2.33 1.57 -0.83 0.23 116.57 121.22 1a6r h LYS 110 Ca 0.28 -0.22 0.01 0.00 -1.87 0.00 0.00 60.65 58.86 1a6r h LYS 110 Cb 0.09 -0.07 -0.03 0.00 0.08 0.00 0.00 32.23 32.31 1a6r h LYS 110 CO -0.04 0.78 0.33 0.00 -0.57 0.00 0.00 179.45 179.96 1a6r h ALA 111 N 0.89 0.65 -0.52 3.86 0.00 -1.15 -0.47 119.26 122.52 1a6r h ALA 111 Ca 0.11 -0.03 -0.05 0.00 0.00 0.00 0.00 54.91 54.94 1a6r h ALA 111 Cb 0.46 -0.19 -0.02 0.00 0.00 0.00 0.00 17.79 18.04 1a6r h ALA 111 CO 0.02 0.07 0.11 -0.97 0.00 0.00 0.00 179.25 178.49 1a6r h ASN 112 N 0.68 0.80 -0.83 0.00 -1.24 -1.16 -2.96 115.58 110.86 1a6r h ASN 112 Ca 0.19 -0.24 0.07 0.00 0.71 0.00 0.00 56.30 57.04 1a6r h ASN 112 Cb -0.06 -0.21 -0.07 0.00 0.73 0.00 0.00 38.32 38.72 1a6r h ASN 112 CO -0.05 0.83 0.50 0.22 -1.29 0.00 0.00 177.43 177.64 1a6r h TYR 113 N 0.73 0.92 -0.58 0.67 5.03 -0.20 -2.50 116.97 121.04 1a6r h TYR 113 Ca 0.16 0.03 0.01 0.00 2.58 0.00 0.00 58.73 61.51 1a6r h TYR 113 Cb 0.35 -0.29 -0.03 0.00 1.55 0.00 0.00 36.73 38.31 1a6r h TYR 113 CO 0.02 0.43 0.38 0.35 -1.32 0.00 0.00 178.16 178.03 1a6r h PHE 114 N 0.89 0.73 -0.62 -3.82 3.57 -0.93 -0.80 116.94 115.96 1a6r h PHE 114 Ca 0.38 0.02 0.04 0.00 3.53 0.00 0.00 57.97 61.94 1a6r h PHE 114 Cb 0.24 -0.25 -0.05 0.00 2.79 0.00 0.00 35.95 38.69 1a6r h PHE 114 CO -0.04 0.46 0.36 -0.07 -2.23 0.00 0.00 178.31 176.78 1a6r h LEU 115 N 0.78 0.55 -0.31 0.59 3.38 -1.32 0.04 115.31 119.02 1a6r h LEU 115 Ca 0.21 0.02 -0.02 0.00 0.09 0.00 0.00 57.88 58.18 1a6r h LEU 115 Cb -0.09 -0.09 -0.01 0.00 0.09 0.00 0.00 40.66 40.55 1a6r h LEU 115 CO -0.05 0.37 0.12 -0.78 0.09 0.00 0.00 178.44 178.20 1a6r h ASP 116 N 0.68 0.43 -0.99 -0.43 3.58 -1.22 -0.90 116.42 117.57 1a6r h ASP 116 Ca 0.26 -0.17 0.08 0.00 0.42 0.00 0.00 57.03 57.63 1a6r h ASP 116 Cb 0.11 -0.11 -0.07 0.00 1.72 0.00 0.00 39.33 40.97 1a6r h ASP 116 CO -0.14 0.48 0.63 1.56 -2.88 0.00 0.00 179.24 178.89 1a6r h GLN 117 N 0.35 1.07 -0.55 0.28 1.08 -0.66 0.18 115.11 116.86 1a6r h GLN 117 Ca 0.10 -0.06 -0.11 0.00 -1.45 0.00 0.00 58.65 57.13 1a6r h GLN 117 Cb 0.19 -0.24 -0.02 0.00 -0.05 0.00 0.00 27.48 27.36 1a6r h GLN 117 CO -0.01 0.71 -0.09 0.82 -0.95 0.00 0.00 178.83 179.31 1a6r h ILE 118 N 1.11 1.27 -0.41 2.54 1.08 -0.70 -2.19 117.51 120.21 1a6r h ILE 118 Ca 0.44 -1.24 -0.04 0.00 -0.39 0.00 0.00 64.86 63.63 1a6r h ILE 118 Cb 0.25 0.95 -0.02 0.00 -3.07 0.00 0.00 36.82 34.94 1a6r h ILE 118 CO -0.20 0.44 0.08 0.58 -0.69 0.00 0.00 178.15 178.37 1a6r h VAL 119 N 0.90 1.24 0.00 1.67 2.07 0.29 -1.71 116.25 120.71 1a6r h VAL 119 Ca 0.14 -0.83 0.00 0.00 0.82 0.00 0.00 66.70 66.83 1a6r h VAL 119 Cb 0.66 0.99 0.00 0.00 -1.52 0.00 0.00 31.29 31.42 1a6r h VAL 119 CO 0.05 0.29 0.00 -1.54 0.02 0.00 0.00 177.57 176.38 1a6r n SER 120 N -4.53 0.29 -0.20 0.57 3.41 0.47 -2.60 113.62 111.03 1a6r n SER 120 Ca -0.00 0.56 0.06 0.00 -0.26 0.00 0.00 58.87 59.23 1a6r n SER 120 Cb 0.22 -0.63 0.11 0.00 -0.26 0.00 0.00 64.21 63.65 1a6r n SER 120 CO 0.00 0.00 0.00 -1.54 -0.16 0.00 0.00 175.04 173.34 1a6r n SER 121 N -1.81 2.48 0.21 4.04 3.41 -0.83 -4.75 113.62 116.36 1a6r n SER 121 Ca 0.04 -2.62 0.13 0.00 -0.26 0.00 0.00 58.87 56.16 1a6r n SER 121 Cb 0.23 -0.28 0.74 0.00 -0.26 0.00 0.00 64.21 64.64 1a6r n SER 121 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 1a6r h ALA 122 N 0.40 1.95 0.00 7.33 0.00 -1.05 -1.31 119.26 126.58 1a6r h ALA 122 Ca 0.00 -0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.91 1a6r h ALA 122 Cb 0.86 0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.66 1a6r h ALA 122 CO 0.03 -0.18 0.00 -0.40 0.00 0.00 0.00 179.25 178.70 1a6r n ASP 123 N -4.22 0.00 -4.92 0.00 5.75 -1.26 -4.80 116.55 107.09 1a6r n ASP 123 Ca 0.00 0.49 -0.28 0.00 -0.01 0.00 0.00 54.79 54.99 1a6r n ASP 123 Cb 0.23 -0.50 -0.03 0.00 -1.03 0.00 0.00 41.12 39.79 1a6r n ASP 123 CO 0.00 0.00 0.00 -1.10 -0.11 0.00 0.00 177.20 175.99 1a6r s GLN 124 N -2.99 3.54 0.60 0.11 -0.21 -0.50 -5.06 119.66 115.16 1a6r s GLN 124 Ca 0.10 -0.28 -0.19 0.00 0.02 0.00 0.00 55.36 55.02 1a6r s GLN 124 Cb 0.14 -2.81 -0.03 0.00 1.00 0.00 0.00 33.01 31.31 1a6r s GLN 124 CO 0.38 0.37 1.26 0.34 -2.12 0.00 0.00 175.29 175.52 1a6r s ASP 125 N -3.13 4.99 0.33 5.90 2.15 -1.26 -4.93 116.67 120.72 1a6r s ASP 125 Ca 0.39 2.54 0.02 0.00 0.43 0.00 0.00 52.55 55.93 1a6r s ASP 125 Cb -0.11 -2.61 0.59 0.00 -0.30 0.00 0.00 42.92 40.49 1a6r s ASP 125 CO 0.29 -1.74 1.94 -0.29 -0.17 0.00 0.00 175.17 175.21 1a6r h ILE 126 N 0.86 1.18 -0.48 4.11 6.09 -1.96 -2.20 117.51 125.12 1a6r h ILE 126 Ca -0.51 -0.51 0.00 0.00 -1.37 0.00 0.00 64.86 62.47 1a6r h ILE 126 Cb 1.31 0.50 0.00 0.00 0.47 0.00 0.00 36.82 39.10 1a6r h ILE 126 CO 0.55 0.21 0.00 -0.67 -3.07 0.00 0.00 178.15 175.17 1a6r n ASP 127 N -4.37 4.34 -4.76 2.19 2.03 -1.26 -4.07 116.55 110.64 1a6r n ASP 127 Ca 0.05 -2.56 -0.31 0.00 0.52 0.00 0.00 54.79 52.49 1a6r n ASP 127 Cb 0.13 -0.59 0.09 0.00 -0.72 0.00 0.00 41.12 40.03 1a6r n ASP 127 CO 0.00 0.00 0.00 -0.94 -1.92 0.00 0.00 177.20 174.34 1a6r s SER 128 N -0.70 4.45 0.22 1.67 1.04 -0.83 -4.85 113.70 114.71 1a6r s SER 128 Ca 0.42 1.85 -0.08 0.00 0.48 0.00 0.00 55.95 58.61 1a6r s SER 128 Cb 0.30 -2.52 0.18 0.00 0.10 0.00 0.00 66.02 64.08 1a6r s SER 128 CO 0.16 -2.07 1.86 -0.09 0.98 0.00 0.00 173.24 174.07 1a6r h ARG 129 N -1.12 1.14 0.11 4.02 2.43 -1.92 -2.24 114.38 116.81 1a6r h ARG 129 Ca -0.44 -0.11 -0.01 0.00 -0.81 0.00 0.00 59.98 58.62 1a6r h ARG 129 Cb 1.23 -0.23 0.00 0.00 -0.42 0.00 0.00 29.97 30.55 1a6r h ARG 129 CO 0.51 0.81 -0.06 1.25 -1.51 0.00 0.00 179.97 180.98 1a6r h LEU 130 N 1.15 -0.13 -0.94 3.80 5.85 -1.93 -1.87 115.31 121.24 1a6r h LEU 130 Ca 0.30 -0.25 -0.03 0.00 0.84 0.00 0.00 57.88 58.73 1a6r h LEU 130 Cb -0.02 0.03 -0.03 0.00 0.37 0.00 0.00 40.66 41.01 1a6r h LEU 130 CO -0.05 0.19 0.34 0.58 -0.34 0.00 0.00 178.44 179.15 1a6r h VAL 131 N -0.46 1.25 -0.36 1.05 2.07 -1.82 -0.35 116.25 117.63 1a6r h VAL 131 Ca -0.02 -0.73 -0.13 0.00 0.82 0.00 0.00 66.70 66.65 1a6r h VAL 131 Cb 0.38 0.30 -0.01 0.00 -1.52 0.00 0.00 31.29 30.44 1a6r h VAL 131 CO 0.03 0.30 -0.29 1.56 0.02 0.00 0.00 177.57 179.19 1a6r h GLN 132 N 1.09 0.77 -0.31 1.57 1.08 -1.46 -1.96 115.11 115.89 1a6r h GLN 132 Ca 0.26 -0.34 -0.07 0.00 -1.45 0.00 0.00 58.65 57.04 1a6r h GLN 132 Cb 0.15 -0.02 -0.02 0.00 -0.05 0.00 0.00 27.48 27.55 1a6r h GLN 132 CO -0.03 0.96 -0.13 -0.92 -0.95 0.00 0.00 178.83 177.77 1a6r h TYR 133 N 0.66 0.57 -0.50 2.96 5.03 -0.81 -1.73 116.97 123.14 1a6r h TYR 133 Ca 0.08 -0.09 -0.13 0.00 2.58 0.00 0.00 58.73 61.17 1a6r h TYR 133 Cb 0.81 -0.15 -0.01 0.00 1.55 0.00 0.00 36.73 38.93 1a6r h TYR 133 CO 0.04 0.64 -0.19 -0.07 -1.32 0.00 0.00 178.16 177.26 1a6r h LEU 134 N 0.49 1.03 -0.10 2.82 3.38 -0.74 -3.10 115.31 119.09 1a6r h LEU 134 Ca 0.09 -0.38 0.00 0.00 0.09 0.00 0.00 57.88 57.68 1a6r h LEU 134 Cb 0.51 -0.28 0.00 0.00 0.09 0.00 0.00 40.66 40.97 1a6r h LEU 134 CO 0.03 1.18 0.00 0.18 0.09 0.00 0.00 178.44 179.92 1a6r n LEU 135 N -4.12 0.27 0.16 1.67 4.77 -0.77 -3.84 117.00 115.14 1a6r n LEU 135 Ca 0.00 0.54 -0.13 0.00 -0.03 0.00 0.00 56.01 56.39 1a6r n LEU 135 Cb 0.45 -0.47 -0.08 0.00 -2.33 0.00 0.00 43.42 40.99 1a6r n LEU 135 CO 0.46 -0.18 0.53 0.00 -1.33 0.00 0.00 177.39 176.87 1a6r h ALA 136 N 2.67 -0.43 -1.05 -1.18 0.00 -1.24 -3.42 119.26 114.60 1a6r h ALA 136 Ca 0.00 -0.19 -0.37 0.00 0.00 0.00 0.00 54.91 54.35 1a6r h ALA 136 Cb 0.47 0.17 -0.28 0.00 0.00 0.00 0.00 17.79 18.14 1a6r h ALA 136 CO 0.00 -0.56 -0.84 0.00 0.00 0.00 0.00 179.25 177.85 1a6r n ALA 137 N -2.49 0.67 -0.17 0.00 0.00 -1.26 -5.01 120.51 112.24 1a6r n ALA 137 Ca -0.09 -2.47 0.14 0.00 0.00 0.00 0.00 53.44 51.02 1a6r n ALA 137 Cb 0.27 -1.04 0.49 0.00 0.00 0.00 0.00 19.45 19.16 1a6r n ALA 137 CO 0.00 0.00 0.00 -1.00 0.00 0.00 0.00 177.50 176.50 1a6r h PRO 138 N 3.13 0.44 -0.36 0.00 0.13 -1.82 -2.60 132.00 130.91 1a6r h PRO 138 Ca -0.00 -0.03 0.00 0.00 -0.87 0.00 0.00 66.00 65.10 1a6r h PRO 138 Cb 1.02 -0.10 0.00 0.00 0.13 0.00 0.00 31.00 32.05 1a6r h PRO 138 CO 0.33 0.29 0.00 0.25 -0.23 0.00 0.00 178.00 178.64 1a6r n THR 139 N -4.48 2.17 -1.64 1.56 -2.24 -1.26 -4.47 114.28 103.91 1a6r n THR 139 Ca 0.14 -1.63 -0.39 0.00 -2.27 0.00 0.00 64.05 59.90 1a6r n THR 139 Cb 0.50 -0.13 0.03 0.00 -2.10 0.00 0.00 70.33 68.63 1a6r n THR 139 CO 0.00 0.00 0.00 -1.84 -0.57 0.00 0.00 175.07 172.66 1a6r n GLU 140 N -0.04 1.25 0.10 -0.78 0.28 -0.98 -4.89 120.64 115.57 1a6r n GLU 140 Ca 0.22 0.46 -0.01 0.00 -0.16 0.00 0.00 57.16 57.67 1a6r n GLU 140 Cb 0.89 -2.19 0.26 0.00 1.43 0.00 0.00 31.44 31.83 1a6r n GLU 140 CO 0.00 0.00 0.00 -0.44 -0.16 0.00 0.00 177.13 176.53 1a6r h ASP 141 N 1.11 0.23 -3.92 -1.84 3.32 -1.92 -3.47 116.42 109.92 1a6r h ASP 141 Ca -0.47 -0.08 -0.53 0.00 0.02 0.00 0.00 57.03 55.97 1a6r h ASP 141 Cb 1.34 -0.06 0.21 0.00 0.22 0.00 0.00 39.33 41.03 1a6r h ASP 141 CO 0.54 0.57 -0.09 0.61 -1.72 0.00 0.00 179.24 179.16 1a6r n GLY 142 N -0.34 -1.01 0.00 2.75 0.00 -1.15 -4.58 105.19 100.86 1a6r n GLY 142 Ca -0.01 -0.72 0.00 0.00 0.00 0.00 0.00 46.02 45.29 1a6r n GLY 142 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1a6r n GLY 143 N 0.77 2.05 3.67 -0.02 0.00 -0.89 -4.86 105.19 105.92 1a6r n GLY 143 Ca 0.10 -0.69 -0.11 0.00 0.00 0.00 0.00 46.02 45.32 1a6r n GLY 143 CO 0.00 0.00 0.00 -0.86 0.00 0.00 0.00 173.32 172.46 1a6r s GLN 144 N 1.01 2.05 0.46 1.61 1.03 -1.26 -0.50 119.66 124.06 1a6r s GLN 144 Ca 0.00 -1.55 0.11 0.00 0.04 0.00 0.00 55.36 53.97 1a6r s GLN 144 Cb 0.00 0.54 1.05 0.00 0.03 0.00 0.00 33.01 34.63 1a6r s GLN 144 CO 0.00 -0.91 2.10 -0.92 -2.54 0.00 0.00 175.29 173.02 1a6r h TYR 145 N 2.06 0.28 -0.17 9.60 3.20 -1.99 -2.18 116.97 127.76 1a6r h TYR 145 Ca -0.30 0.01 -0.17 0.00 3.14 0.00 0.00 58.73 61.41 1a6r h TYR 145 Cb 1.25 -0.09 -0.00 0.00 1.54 0.00 0.00 36.73 39.42 1a6r h TYR 145 CO 1.34 0.17 -0.59 0.77 -1.64 0.00 0.00 178.16 178.22 1a6r h SER 146 N 0.30 0.64 0.46 -2.11 0.02 -1.96 -0.80 113.55 110.10 1a6r h SER 146 Ca 0.08 -0.36 -0.08 0.00 -0.84 0.00 0.00 61.79 60.59 1a6r h SER 146 Cb -0.03 -0.18 -0.01 0.00 0.14 0.00 0.00 62.40 62.31 1a6r h SER 146 CO -0.02 1.08 -0.38 0.24 -1.14 0.00 0.00 176.83 176.62 1a6r h MET 147 N 0.43 0.00 -0.14 3.45 2.86 -1.77 -0.48 114.93 119.28 1a6r h MET 147 Ca -0.00 0.00 -0.12 0.00 -2.06 0.00 0.00 59.70 57.52 1a6r h MET 147 Cb 1.15 0.00 0.00 0.00 0.06 0.00 0.00 31.60 32.81 1a6r h MET 147 CO 0.11 0.38 -0.37 0.35 1.06 0.00 0.00 176.91 178.43 1a6r h PHE 148 N 0.00 0.64 -0.04 -0.22 3.57 -1.00 -2.94 116.94 116.94 1a6r h PHE 148 Ca -0.00 -0.25 -0.09 0.00 3.53 0.00 0.00 57.97 61.16 1a6r h PHE 148 Cb 0.71 -0.11 -0.01 0.00 2.79 0.00 0.00 35.95 39.32 1a6r h PHE 148 CO 0.00 0.99 -0.39 -0.07 -2.23 0.00 0.00 178.31 176.61 1a6r h LEU 149 N 0.10 0.09 -0.40 0.59 3.38 -0.77 -2.02 115.31 116.29 1a6r h LEU 149 Ca -0.01 -0.03 0.01 0.00 0.09 0.00 0.00 57.88 57.94 1a6r h LEU 149 Cb 0.99 -0.02 -0.02 0.00 0.09 0.00 0.00 40.66 41.69 1a6r h LEU 149 CO 0.08 0.47 0.25 0.78 0.09 0.00 0.00 178.44 180.11 1a6r h ASN 150 N 0.08 0.42 -0.28 -0.43 2.35 -1.05 0.05 115.58 116.72 1a6r h ASN 150 Ca 0.01 -0.01 -0.07 0.00 -0.55 0.00 0.00 56.30 55.68 1a6r h ASN 150 Cb 0.72 -0.10 -0.01 0.00 0.05 0.00 0.00 38.32 38.98 1a6r h ASN 150 CO 0.05 0.31 -0.10 -0.07 -1.65 0.00 0.00 177.43 175.97 1a6r h LEU 151 N 0.51 0.57 -1.28 1.61 3.38 -1.32 -3.04 115.31 115.74 1a6r h LEU 151 Ca 0.15 -0.39 -0.05 0.00 0.09 0.00 0.00 57.88 57.68 1a6r h LEU 151 Cb -0.04 -0.16 -0.02 0.00 0.09 0.00 0.00 40.66 40.54 1a6r h LEU 151 CO -0.05 0.84 -0.01 0.58 0.09 0.00 0.00 178.44 179.89 1a6r h VAL 152 N 0.31 1.19 -0.60 1.22 2.07 -1.13 0.55 116.25 119.86 1a6r h VAL 152 Ca 0.07 -0.75 -0.08 0.00 0.82 0.00 0.00 66.70 66.76 1a6r h VAL 152 Cb 0.60 0.97 -0.02 0.00 -1.52 0.00 0.00 31.29 31.32 1a6r h VAL 152 CO 0.03 0.25 0.06 0.11 0.02 0.00 0.00 177.57 178.04 1a6r h LYS 153 N 0.45 1.00 0.04 1.57 1.57 -0.96 0.03 116.57 120.28 1a6r h LYS 153 Ca 0.10 -0.28 -0.31 0.00 -1.87 0.00 0.00 60.65 58.30 1a6r h LYS 153 Cb 0.32 -0.11 -0.04 0.00 0.08 0.00 0.00 32.23 32.48 1a6r h LYS 153 CO 0.01 0.95 -1.71 -0.22 -0.57 0.00 0.00 179.45 177.91 1a6r h LYS 154 N 0.93 0.09 0.00 3.15 3.64 -1.37 -3.42 116.57 119.60 1a6r h LYS 154 Ca 0.18 -0.15 0.00 0.00 -1.27 0.00 0.00 60.65 59.41 1a6r h LYS 154 Cb 0.46 0.06 0.00 0.00 -0.41 0.00 0.00 32.23 32.34 1a6r h LYS 154 CO 0.02 0.76 -0.32 0.66 -2.27 0.00 0.00 179.45 178.30 1a6r n TYR 155 N -3.21 0.00 -4.44 1.91 4.01 0.19 -4.80 117.16 110.82 1a6r n TYR 155 Ca -0.19 0.00 0.00 0.00 -0.16 0.00 0.00 57.90 57.55 1a6r n TYR 155 Cb 1.04 -0.01 0.00 0.00 -0.31 0.00 0.00 39.34 40.06 1a6r n TYR 155 CO 0.00 0.00 0.00 0.41 -0.46 0.00 0.00 176.86 176.81 1a6r n GLY 156 N 1.29 -0.20 3.14 2.72 0.00 -0.00 -4.32 105.19 107.82 1a6r n GLY 156 Ca 0.00 -1.03 -0.11 0.00 0.00 0.00 0.00 46.02 44.88 1a6r n GLY 156 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1a6r s LEU 157 N 0.00 1.42 0.11 0.99 1.43 -0.25 -4.57 118.68 117.82 1a6r s LEU 157 Ca 0.00 -0.19 -0.02 0.00 -1.03 0.00 0.00 54.13 52.90 1a6r s LEU 157 Cb 0.00 0.81 -0.04 0.00 0.03 0.00 0.00 46.19 46.99 1a6r s LEU 157 CO 0.00 -0.41 0.05 0.27 0.23 0.00 0.00 176.35 176.49 1a6r s ILE 158 N -1.55 0.13 0.26 -0.59 -4.36 -1.26 -3.98 121.20 109.85 1a6r s ILE 158 Ca -0.13 -1.83 -0.30 0.00 -0.26 0.00 0.00 60.65 58.13 1a6r s ILE 158 Cb -0.06 -1.87 -0.10 0.00 1.25 0.00 0.00 42.46 41.68 1a6r s ILE 158 CO 0.01 -0.60 1.36 -2.84 0.24 0.00 0.00 174.94 173.11 1a6r s PRO 159 N -4.00 4.33 0.61 0.37 0.02 -1.26 -0.19 135.00 134.88 1a6r s PRO 159 Ca 0.19 2.20 0.31 0.00 0.02 0.00 0.00 61.00 63.72 1a6r s PRO 159 Cb 0.07 -3.12 1.79 0.00 0.02 0.00 0.00 34.50 33.26 1a6r s PRO 159 CO -0.02 -0.29 2.14 -0.22 -0.33 0.00 0.00 177.00 178.28 1a6r h LYS 160 N 4.64 0.00 -0.41 5.54 3.64 -1.22 -1.38 116.57 127.39 1a6r h LYS 160 Ca -0.46 0.00 0.12 0.00 -1.27 0.00 0.00 60.65 59.03 1a6r h LYS 160 Cb 1.22 0.00 -0.02 0.00 -0.41 0.00 0.00 32.23 33.02 1a6r h LYS 160 CO 0.74 0.00 0.32 -0.44 -2.27 0.00 0.00 179.45 177.79 1a6r h ASP 161 N 0.00 0.00 0.91 4.20 3.32 -1.90 -1.17 116.42 121.77 1a6r h ASP 161 Ca 0.05 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.10 1a6r h ASP 161 Cb 0.39 0.00 0.00 0.00 0.22 0.00 0.00 39.33 39.94 1a6r h ASP 161 CO -0.00 0.00 -0.65 -0.07 -1.72 0.00 0.00 179.24 176.80 1a6r h LEU 162 N 0.00 0.00 -6.00 1.55 3.38 -1.63 -3.45 115.31 109.17 1a6r h LEU 162 Ca 0.19 -0.18 0.17 0.00 0.09 0.00 0.00 57.88 58.15 1a6r h LEU 162 Cb 0.82 0.00 -0.21 0.00 0.09 0.00 0.00 40.66 41.37 1a6r h LEU 162 CO -0.00 0.09 -0.05 -0.47 0.09 0.00 0.00 178.44 178.10 1a6r s TYR 163 N -3.19 -0.97 0.00 1.13 5.04 -0.45 -4.83 117.35 114.08 1a6r s TYR 163 Ca 0.06 0.94 0.00 0.00 -2.44 0.00 0.00 57.07 55.62 1a6r s TYR 163 Cb 0.13 0.31 0.00 0.00 0.35 0.00 0.00 41.96 42.74 1a6r s TYR 163 CO 0.73 -0.54 0.00 0.41 -1.34 0.00 0.00 175.55 174.81 1a6r n GLY 164 N 5.42 5.70 1.54 8.97 0.00 -1.21 -4.57 105.19 121.04 1a6r n GLY 164 Ca -0.02 -1.79 -0.09 0.00 0.00 0.00 0.00 46.02 44.11 1a6r n GLY 164 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 1a6r n ASP 165 N 0.00 3.37 -0.11 1.61 8.00 -1.26 -4.50 116.55 123.66 1a6r n ASP 165 Ca 0.00 -2.74 -0.07 0.00 0.71 0.00 0.00 54.79 52.69 1a6r n ASP 165 Cb 0.00 -0.66 0.01 0.00 -0.02 0.00 0.00 41.12 40.46 1a6r n ASP 165 CO 0.00 0.00 0.00 -0.07 -0.39 0.00 0.00 177.20 176.74 1a6r h LEU 166 N 1.16 0.27 -9.97 0.64 3.38 -2.00 -3.43 115.31 105.37 1a6r h LEU 166 Ca 0.26 0.02 -0.54 0.00 0.09 0.00 0.00 57.88 57.71 1a6r h LEU 166 Cb 1.81 -0.03 0.11 0.00 0.09 0.00 0.00 40.66 42.65 1a6r h LEU 166 CO 0.50 0.20 0.76 -2.84 0.09 0.00 0.00 178.44 177.15 1a6r s PRO 167 N -6.16 3.93 0.26 1.13 0.02 -1.26 -4.88 135.00 128.03 1a6r s PRO 167 Ca -0.13 2.54 -0.02 0.00 0.02 0.00 0.00 61.00 63.40 1a6r s PRO 167 Cb 0.11 -2.84 0.53 0.00 0.02 0.00 0.00 34.50 32.33 1a6r s PRO 167 CO 0.72 -0.67 1.70 -0.92 -0.33 0.00 0.00 177.00 177.50 1a6r h TYR 168 N 2.71 0.44 0.00 6.54 3.20 -1.84 -1.65 116.97 126.37 1a6r h TYR 168 Ca -0.51 0.04 0.00 0.00 3.14 0.00 0.00 58.73 61.40 1a6r h TYR 168 Cb 1.25 -0.07 0.00 0.00 1.54 0.00 0.00 36.73 39.45 1a6r h TYR 168 CO 0.52 -0.04 0.00 0.43 -1.64 0.00 0.00 178.16 177.43 1a6r n SER 169 N -5.09 0.61 0.09 -2.11 7.64 -1.26 -1.55 113.62 111.96 1a6r n SER 169 Ca 0.16 0.68 -0.07 0.00 1.01 0.00 0.00 58.87 60.65 1a6r n SER 169 Cb 0.50 -0.80 0.02 0.00 -1.01 0.00 0.00 64.21 62.93 1a6r n SER 169 CO 0.00 0.00 0.00 0.71 -3.01 0.00 0.00 175.04 172.74 1a6r h THR 170 N 0.00 1.50 -0.01 0.44 1.35 -1.60 -3.07 112.91 111.51 1a6r h THR 170 Ca 0.00 -2.55 0.00 0.00 -0.55 0.00 0.00 66.41 63.31 1a6r h THR 170 Cb 0.29 2.40 0.00 0.00 -1.73 0.00 0.00 68.15 69.10 1a6r h THR 170 CO 0.00 0.74 -0.35 0.35 -0.25 0.00 0.00 175.52 176.01 1a6r n THR 171 N -3.68 0.00 -2.91 6.82 -2.24 -1.08 -4.62 114.28 106.57 1a6r n THR 171 Ca -0.03 -0.32 -0.13 0.00 -2.27 0.00 0.00 64.05 61.29 1a6r n THR 171 Cb 0.77 1.20 0.00 0.00 -2.10 0.00 0.00 70.33 70.20 1a6r n THR 171 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 1a6r n ALA 172 N -0.12 -0.08 0.72 6.98 0.00 -0.59 -0.86 120.51 126.55 1a6r n ALA 172 Ca 0.07 -2.06 0.12 0.00 0.00 0.00 0.00 53.44 51.57 1a6r n ALA 172 Cb 0.35 -1.16 0.49 0.00 0.00 0.00 0.00 19.45 19.12 1a6r n ALA 172 CO 0.00 0.00 0.00 -1.13 0.00 0.00 0.00 177.50 176.37 1a6r n SER 173 N 1.73 0.35 -0.10 0.00 3.41 -0.95 -4.29 113.62 113.76 1a6r n SER 173 Ca 0.14 0.55 -0.05 0.00 -0.26 0.00 0.00 58.87 59.25 1a6r n SER 173 Cb 0.59 -0.64 0.01 0.00 -0.26 0.00 0.00 64.21 63.91 1a6r n SER 173 CO 0.00 0.00 0.00 -0.09 -0.16 0.00 0.00 175.04 174.79 1a6r h ARG 174 N 0.00 0.01 -0.63 4.33 2.43 -1.89 -1.91 114.38 116.73 1a6r h ARG 174 Ca 0.00 -0.00 -0.06 0.00 -0.81 0.00 0.00 59.98 59.11 1a6r h ARG 174 Cb 0.52 -0.00 -0.03 0.00 -0.42 0.00 0.00 29.97 30.04 1a6r h ARG 174 CO 0.00 0.01 0.15 -0.22 -1.51 0.00 0.00 179.97 178.40 1a6r h LYS 175 N 0.01 1.01 -0.36 0.20 1.63 -1.99 -1.27 116.57 115.81 1a6r h LYS 175 Ca 0.17 -0.24 0.01 0.00 -0.85 0.00 0.00 60.65 59.74 1a6r h LYS 175 Cb 0.26 -0.13 -0.02 0.00 -0.60 0.00 0.00 32.23 31.74 1a6r h LYS 175 CO -0.36 0.91 0.23 2.35 -3.45 0.00 0.00 179.45 179.14 1a6r h TRP 176 N 0.93 0.44 -0.77 1.91 7.01 -1.76 -1.13 115.95 122.59 1a6r h TRP 176 Ca 0.20 0.01 -0.02 0.00 2.11 0.00 0.00 58.89 61.19 1a6r h TRP 176 Cb 0.36 -0.15 -0.04 0.00 -2.10 0.00 0.00 29.16 27.23 1a6r h TRP 176 CO 0.03 0.28 0.42 -0.91 -2.79 0.00 0.00 178.44 175.46 1a6r h ASN 177 N 0.48 0.95 0.14 2.65 2.35 -1.21 -1.35 115.58 119.59 1a6r h ASN 177 Ca 0.13 -0.08 -0.01 0.00 -0.55 0.00 0.00 56.30 55.80 1a6r h ASN 177 Cb -0.05 -0.24 0.00 0.00 0.05 0.00 0.00 38.32 38.08 1a6r h ASN 177 CO -0.03 0.77 -0.07 -1.28 -1.65 0.00 0.00 177.43 175.17 1a6r h SER 178 N 1.07 -0.16 -0.24 5.81 0.87 -0.68 -0.79 113.55 119.43 1a6r h SER 178 Ca 0.27 -0.15 0.03 0.00 -1.23 0.00 0.00 61.79 60.71 1a6r h SER 178 Cb 0.03 0.04 -0.03 0.00 -0.44 0.00 0.00 62.40 62.00 1a6r h SER 178 CO -0.04 0.06 0.05 -0.07 -0.53 0.00 0.00 176.83 176.30 1a6r h LEU 179 N -0.38 0.02 -0.87 2.23 3.38 -0.99 -0.63 115.31 118.08 1a6r h LEU 179 Ca -0.02 0.04 -0.05 0.00 0.09 0.00 0.00 57.88 57.94 1a6r h LEU 179 Cb 0.30 0.05 -0.03 0.00 0.09 0.00 0.00 40.66 41.06 1a6r h LEU 179 CO 0.03 0.04 0.25 -0.07 0.09 0.00 0.00 178.44 178.79 1a6r h LEU 180 N 0.15 1.00 -0.59 1.67 3.38 -1.23 -3.02 115.31 116.68 1a6r h LEU 180 Ca 0.11 -0.17 -0.15 0.00 0.09 0.00 0.00 57.88 57.77 1a6r h LEU 180 Cb 0.11 -0.26 -0.01 0.00 0.09 0.00 0.00 40.66 40.59 1a6r h LEU 180 CO -0.14 0.92 -0.50 0.74 0.09 0.00 0.00 178.44 179.55 1a6r h THR 181 N 1.05 1.32 -0.62 0.22 2.02 -0.62 0.61 112.91 116.89 1a6r h THR 181 Ca 0.24 -1.72 -0.05 0.00 0.77 0.00 0.00 66.41 65.64 1a6r h THR 181 Cb 0.25 1.71 -0.03 0.00 -1.74 0.00 0.00 68.15 68.34 1a6r h THR 181 CO -0.01 0.53 0.18 0.74 0.37 0.00 0.00 175.52 177.33 1a6r h THR 182 N 0.42 1.24 -0.18 3.16 2.02 -1.09 -1.19 112.91 117.29 1a6r h THR 182 Ca 0.02 -0.82 -0.11 0.00 0.77 0.00 0.00 66.41 66.27 1a6r h THR 182 Cb 1.02 0.57 -0.00 0.00 -1.74 0.00 0.00 68.15 67.99 1a6r h THR 182 CO 0.09 0.31 -0.30 0.50 0.37 0.00 0.00 175.52 176.50 1a6r h LYS 183 N 0.91 0.52 -0.25 6.66 1.63 -1.36 -2.78 116.57 121.91 1a6r h LYS 183 Ca 0.20 -0.32 -0.01 0.00 -0.85 0.00 0.00 60.65 59.67 1a6r h LYS 183 Cb 0.27 0.03 -0.01 0.00 -0.60 0.00 0.00 32.23 31.93 1a6r h LYS 183 CO -0.01 0.92 0.11 -0.07 -3.45 0.00 0.00 179.45 176.96 1a6r h LEU 184 N 0.18 0.30 -0.75 5.20 3.38 -0.63 -0.36 115.31 122.63 1a6r h LEU 184 Ca 0.01 -0.02 -0.13 0.00 0.09 0.00 0.00 57.88 57.83 1a6r h LEU 184 Cb 0.89 -0.08 -0.02 0.00 0.09 0.00 0.00 40.66 41.54 1a6r h LEU 184 CO 0.07 0.27 -0.60 0.03 0.09 0.00 0.00 178.44 178.30 1a6r h ARG 185 N 0.35 0.10 -0.13 1.13 3.08 -1.13 0.83 114.38 118.61 1a6r h ARG 185 Ca 0.09 -0.07 -0.04 0.00 0.07 0.00 0.00 59.98 60.03 1a6r h ARG 185 Cb 0.05 0.01 -0.00 0.00 0.08 0.00 0.00 29.97 30.11 1a6r h ARG 185 CO -0.01 0.67 -0.08 1.49 -1.07 0.00 0.00 179.97 180.96 1a6r h GLU 186 N 0.08 0.29 -0.96 0.04 4.81 -1.03 -3.04 114.58 114.77 1a6r h GLU 186 Ca -0.01 -0.13 0.01 0.00 -0.13 0.00 0.00 59.36 59.10 1a6r h GLU 186 Cb 1.07 -0.00 -0.05 0.00 0.63 0.00 0.00 28.75 30.40 1a6r h GLU 186 CO 0.08 0.64 0.63 0.74 -0.73 0.00 0.00 179.01 180.38 1a6r h PHE 187 N -0.07 1.20 -0.67 0.92 0.04 -0.62 -1.81 116.94 115.93 1a6r h PHE 187 Ca 0.03 0.03 0.05 0.00 2.80 0.00 0.00 57.97 60.88 1a6r h PHE 187 Cb 0.57 -0.41 -0.05 0.00 2.20 0.00 0.00 35.95 38.26 1a6r h PHE 187 CO 0.07 0.75 0.38 0.00 -0.60 0.00 0.00 178.31 178.91 1a6r h ALA 188 N 1.41 0.89 -0.30 2.45 0.00 -0.83 0.12 119.26 123.00 1a6r h ALA 188 Ca 0.35 0.01 -0.17 0.00 0.00 0.00 0.00 54.91 55.10 1a6r h ALA 188 Cb -0.14 -0.14 -0.00 0.00 0.00 0.00 0.00 17.79 17.51 1a6r h ALA 188 CO -0.08 0.07 -0.50 1.49 0.00 0.00 0.00 179.25 180.23 1a6r h GLU 189 N 0.71 0.84 -0.53 0.00 4.81 -1.34 -1.09 114.58 117.97 1a6r h GLU 189 Ca 0.29 -0.50 -0.01 0.00 -0.13 0.00 0.00 59.36 59.01 1a6r h GLU 189 Cb 0.15 0.05 -0.02 0.00 0.63 0.00 0.00 28.75 29.56 1a6r h GLU 189 CO -0.17 1.14 0.27 1.15 -0.73 0.00 0.00 179.01 180.67 1a6r h THR 190 N 0.65 1.19 -0.11 0.32 2.02 -0.87 -0.58 112.91 115.53 1a6r h THR 190 Ca 0.03 -0.51 -0.01 0.00 0.77 0.00 0.00 66.41 66.69 1a6r h THR 190 Cb 1.09 0.55 -0.00 0.00 -1.74 0.00 0.00 68.15 68.05 1a6r h THR 190 CO 0.11 0.21 0.01 -0.07 0.37 0.00 0.00 175.52 176.15 1a6r h LEU 191 N 0.71 0.19 -0.69 2.58 3.38 -0.74 -1.78 115.31 118.95 1a6r h LEU 191 Ca 0.18 -0.27 -0.01 0.00 0.09 0.00 0.00 57.88 57.87 1a6r h LEU 191 Cb 0.08 -0.05 -0.03 0.00 0.09 0.00 0.00 40.66 40.75 1a6r h LEU 191 CO -0.03 0.41 0.41 0.03 0.09 0.00 0.00 178.44 179.35 1a6r h ARG 192 N -0.05 0.95 -0.25 1.13 3.08 -1.10 0.78 114.38 118.92 1a6r h ARG 192 Ca 0.03 -0.09 -0.01 0.00 0.07 0.00 0.00 59.98 59.98 1a6r h ARG 192 Cb 0.31 -0.19 -0.01 0.00 0.08 0.00 0.00 29.97 30.15 1a6r h ARG 192 CO 0.00 0.69 0.12 1.15 -1.07 0.00 0.00 179.97 180.86 1a6r h THR 193 N 0.94 1.14 -0.21 2.04 2.02 -1.08 -2.30 112.91 115.47 1a6r h THR 193 Ca 0.25 -0.40 -0.05 0.00 0.77 0.00 0.00 66.41 66.97 1a6r h THR 193 Cb -0.01 0.94 -0.01 0.00 -1.74 0.00 0.00 68.15 67.33 1a6r h THR 193 CO -0.04 0.14 -0.10 0.00 0.37 0.00 0.00 175.52 175.88 1a6r h ALA 194 N 0.99 1.44 0.00 6.16 0.00 -1.02 -2.62 119.26 124.22 1a6r h ALA 194 Ca 0.09 -0.21 0.00 0.00 0.00 0.00 0.00 54.91 54.78 1a6r h ALA 194 Cb 0.11 -0.10 0.00 0.00 0.00 0.00 0.00 17.79 17.80 1a6r h ALA 194 CO -0.01 0.39 0.00 1.28 0.00 0.00 0.00 179.25 180.91 1a6r n LEU 195 N -4.26 0.38 -0.02 0.00 4.77 0.24 -1.30 117.00 116.81 1a6r n LEU 195 Ca -0.00 0.56 -0.11 0.00 -0.03 0.00 0.00 56.01 56.43 1a6r n LEU 195 Cb 0.27 -0.46 0.03 0.00 -2.33 0.00 0.00 43.42 40.93 1a6r n LEU 195 CO 0.38 -0.21 0.48 0.11 -1.33 0.00 0.00 177.39 176.82 1a6r h LYS 196 N 0.00 0.65 0.00 3.23 1.57 -1.02 -3.34 116.57 117.66 1a6r h LYS 196 Ca 0.00 -0.40 -0.00 0.00 -1.87 0.00 0.00 60.65 58.37 1a6r h LYS 196 Cb 0.49 0.04 -0.00 0.00 0.08 0.00 0.00 32.23 32.85 1a6r h LYS 196 CO 0.00 1.02 -0.04 1.49 -0.57 0.00 0.00 179.45 181.35 1a6r h GLU 197 N 0.51 0.00 -6.52 3.15 4.81 -1.55 -3.49 114.58 111.49 1a6r h GLU 197 Ca 0.01 0.00 -0.51 0.00 -0.13 0.00 0.00 59.36 58.73 1a6r h GLU 197 Cb 1.09 0.00 0.01 0.00 0.63 0.00 0.00 28.75 30.48 1a6r h GLU 197 CO 0.11 0.04 -0.12 1.03 -0.73 0.00 0.00 179.01 179.33 1a6r s ARG 198 N -1.63 2.26 0.29 1.92 0.52 -0.42 -5.12 118.95 116.76 1a6r s ARG 198 Ca -0.02 -1.75 0.02 0.00 -0.52 0.00 0.00 55.73 53.45 1a6r s ARG 198 Cb 0.00 -2.53 -0.03 0.00 0.52 0.00 0.00 34.95 32.91 1a6r s ARG 198 CO 0.05 -0.86 0.46 -1.54 0.02 0.00 0.00 175.30 173.42 1a6r s SER 199 N -4.62 6.32 0.19 0.23 1.04 -1.26 -4.55 113.70 111.05 1a6r s SER 199 Ca 0.57 0.32 -0.24 0.00 0.48 0.00 0.00 55.95 57.08 1a6r s SER 199 Cb -0.05 -1.97 0.08 0.00 0.10 0.00 0.00 66.02 64.18 1a6r s SER 199 CO 0.36 -0.18 1.56 0.00 0.98 0.00 0.00 173.24 175.96 1a6r h ALA 200 N 1.11 -0.20 -2.53 5.32 0.00 -1.96 -3.28 119.26 117.71 1a6r h ALA 200 Ca -0.50 0.17 -0.62 0.00 0.00 0.00 0.00 54.91 53.96 1a6r h ALA 200 Cb 1.22 1.06 -0.13 0.00 0.00 0.00 0.00 17.79 19.94 1a6r h ALA 200 CO 0.62 -0.78 0.04 0.34 0.00 0.00 0.00 179.25 179.47 1a6r s ASP 201 N -5.29 6.47 -0.30 0.00 -1.08 -1.26 -4.38 116.67 110.82 1a6r s ASP 201 Ca -0.14 0.52 -0.17 0.00 -0.52 0.00 0.00 52.55 52.24 1a6r s ASP 201 Cb 0.15 -2.30 0.18 0.00 -1.46 0.00 0.00 42.92 39.50 1a6r s ASP 201 CO 0.67 -0.34 1.16 -0.62 0.52 0.00 0.00 175.17 176.56 1a6r s ASP 202 N 1.56 -0.29 0.16 -0.34 -1.08 -1.24 -4.99 116.67 110.45 1a6r s ASP 202 Ca 0.23 0.35 -0.01 0.00 -0.52 0.00 0.00 52.55 52.59 1a6r s ASP 202 Cb -0.15 1.31 0.36 0.00 -1.46 0.00 0.00 42.92 42.97 1a6r s ASP 202 CO 0.10 -0.05 0.85 -1.20 0.52 0.00 0.00 175.17 175.38 1a6r n SER 203 N 4.87 -0.11 -0.10 -0.34 7.64 -1.26 0.90 113.62 125.22 1a6r n SER 203 Ca -0.08 0.93 -0.06 0.00 1.01 0.00 0.00 58.87 60.68 1a6r n SER 203 Cb 0.54 -0.32 0.00 0.00 -1.01 0.00 0.00 64.21 63.43 1a6r n SER 203 CO 0.00 0.00 0.00 0.40 -3.01 0.00 0.00 175.04 172.43 1a6r h ILE 204 N 0.00 0.44 -0.46 0.44 2.04 -1.95 0.39 117.51 118.42 1a6r h ILE 204 Ca 0.31 0.00 -0.09 0.00 1.00 0.00 0.00 64.86 66.07 1a6r h ILE 204 Cb 0.58 0.44 -0.01 0.00 -0.74 0.00 0.00 36.82 37.09 1a6r h ILE 204 CO -0.53 0.00 -0.07 0.40 0.00 0.00 0.00 178.15 177.95 1a6r h ILE 205 N -0.13 1.27 -0.91 -0.67 1.08 0.24 -0.96 117.51 117.43 1a6r h ILE 205 Ca 0.18 -1.17 0.00 0.00 -0.39 0.00 0.00 64.86 63.48 1a6r h ILE 205 Cb 0.41 1.10 -0.04 0.00 -3.07 0.00 0.00 36.82 35.21 1a6r h ILE 205 CO -0.45 0.40 0.58 0.58 -0.69 0.00 0.00 178.15 178.57 1a6r h VAL 206 N 0.69 1.24 -0.16 1.67 2.07 0.32 -0.43 116.25 121.67 1a6r h VAL 206 Ca 0.12 -0.48 -0.09 0.00 0.82 0.00 0.00 66.70 67.07 1a6r h VAL 206 Cb 0.60 -0.08 -0.00 0.00 -1.52 0.00 0.00 31.29 30.30 1a6r h VAL 206 CO 0.04 0.24 -0.25 0.74 0.02 0.00 0.00 177.57 178.37 1a6r h THR 207 N 1.25 1.35 -0.39 2.57 2.02 -0.15 -2.70 112.91 116.86 1a6r h THR 207 Ca 0.33 -1.47 0.06 0.00 0.77 0.00 0.00 66.41 66.10 1a6r h THR 207 Cb -0.10 1.93 -0.05 0.00 -1.74 0.00 0.00 68.15 68.19 1a6r h THR 207 CO -0.07 0.44 0.09 0.25 0.37 0.00 0.00 175.52 176.60 1a6r h LEU 208 N 0.07 0.04 -0.37 2.58 5.85 -0.78 -1.79 115.31 120.91 1a6r h LEU 208 Ca 0.01 0.06 -0.01 0.00 0.84 0.00 0.00 57.88 58.78 1a6r h LEU 208 Cb 0.82 0.08 -0.02 0.00 0.37 0.00 0.00 40.66 41.91 1a6r h LEU 208 CO 0.06 0.06 0.19 0.03 -0.34 0.00 0.00 178.44 178.43 1a6r h ARG 209 N 0.22 0.52 -0.81 1.25 3.08 -1.05 -1.79 114.38 115.80 1a6r h ARG 209 Ca 0.19 -0.07 0.01 0.00 0.07 0.00 0.00 59.98 60.17 1a6r h ARG 209 Cb 0.21 -0.10 -0.04 0.00 0.08 0.00 0.00 29.97 30.12 1a6r h ARG 209 CO -0.23 0.45 0.53 1.49 -1.07 0.00 0.00 179.97 181.13 1a6r h GLU 210 N 0.47 1.07 -0.71 0.04 4.81 -1.12 0.17 114.58 119.31 1a6r h GLU 210 Ca 0.13 -0.07 -0.03 0.00 -0.13 0.00 0.00 59.36 59.26 1a6r h GLU 210 Cb 0.09 -0.24 -0.03 0.00 0.63 0.00 0.00 28.75 29.20 1a6r h GLU 210 CO -0.02 0.71 0.33 1.96 -0.73 0.00 0.00 179.01 181.26 1a6r h GLN 211 N 1.10 1.01 -0.50 1.92 4.20 -1.10 0.16 115.11 121.90 1a6r h GLN 211 Ca 0.29 -0.14 -0.03 0.00 0.06 0.00 0.00 58.65 58.83 1a6r h GLN 211 Cb -0.11 -0.19 -0.02 0.00 0.30 0.00 0.00 27.48 27.46 1a6r h GLN 211 CO -0.06 0.79 0.18 0.52 -0.67 0.00 0.00 178.83 179.59 1a6r h MET 212 N 1.01 0.76 -0.67 1.46 2.86 -0.36 -0.90 114.93 119.09 1a6r h MET 212 Ca 0.24 -0.15 -0.04 0.00 -2.06 0.00 0.00 59.70 57.69 1a6r h MET 212 Cb 0.12 -0.12 -0.03 0.00 0.06 0.00 0.00 31.60 31.63 1a6r h MET 212 CO -0.03 0.70 0.27 0.37 1.06 0.00 0.00 176.91 179.27 1a6r h GLN 213 N 0.67 0.98 -0.34 1.72 4.15 -0.06 -0.89 115.11 121.34 1a6r h GLN 213 Ca 0.16 -0.16 -0.11 0.00 0.77 0.00 0.00 58.65 59.31 1a6r h GLN 213 Cb 0.24 -0.17 -0.01 0.00 0.21 0.00 0.00 27.48 27.75 1a6r h GLN 213 CO -0.01 0.80 -0.21 -0.09 -1.93 0.00 0.00 178.83 177.39 1a6r h ARG 214 N 0.96 0.74 -0.37 1.69 2.43 -0.61 -1.34 114.38 117.88 1a6r h ARG 214 Ca 0.23 -0.35 -0.08 0.00 -0.81 0.00 0.00 59.98 58.97 1a6r h ARG 214 Cb 0.19 -0.01 -0.02 0.00 -0.42 0.00 0.00 29.97 29.71 1a6r h ARG 214 CO -0.02 0.96 -0.10 1.49 -1.51 0.00 0.00 179.97 180.79 1a6r h GLU 215 N 0.52 0.64 -0.35 0.20 4.57 -0.90 0.19 114.58 119.45 1a6r h GLU 215 Ca 0.07 -0.19 -0.08 0.00 -1.18 0.00 0.00 59.36 57.98 1a6r h GLU 215 Cb 0.77 -0.06 -0.01 0.00 -0.16 0.00 0.00 28.75 29.28 1a6r h GLU 215 CO 0.06 0.73 -0.08 0.82 -1.18 0.00 0.00 179.01 179.36 1a6r h ILE 216 N 0.59 1.28 -0.64 2.32 1.08 -1.03 -0.74 117.51 120.37 1a6r h ILE 216 Ca 0.11 -1.13 -0.08 0.00 -0.39 0.00 0.00 64.86 63.37 1a6r h ILE 216 Cb 0.52 1.29 -0.03 0.00 -3.07 0.00 0.00 36.82 35.54 1a6r h ILE 216 CO 0.03 0.37 0.10 0.15 -0.69 0.00 0.00 178.15 178.11 1a6r h PHE 217 N 0.46 1.11 0.14 1.37 3.57 -1.01 -1.23 116.94 121.36 1a6r h PHE 217 Ca 0.09 -0.15 0.00 0.00 3.53 0.00 0.00 57.97 61.44 1a6r h PHE 217 Cb 0.58 -0.31 -0.01 0.00 2.79 0.00 0.00 35.95 39.00 1a6r h PHE 217 CO 0.05 0.93 -0.13 -0.09 -2.23 0.00 0.00 178.31 176.84 1a6r h ARG 218 N 0.98 -0.29 -0.29 1.11 2.43 -0.21 -1.10 114.38 117.01 1a6r h ARG 218 Ca 0.19 0.02 -0.05 0.00 -0.81 0.00 0.00 59.98 59.33 1a6r h ARG 218 Cb 0.43 0.07 -0.02 0.00 -0.42 0.00 0.00 29.97 30.03 1a6r h ARG 218 CO 0.01 -0.19 -0.04 -0.07 -1.51 0.00 0.00 179.97 178.17 1a6r h LEU 219 N -0.30 0.42 -0.39 3.80 3.38 -1.02 -2.98 115.31 118.22 1a6r h LEU 219 Ca 0.00 -0.08 -0.06 0.00 0.09 0.00 0.00 57.88 57.83 1a6r h LEU 219 Cb 0.28 -0.11 -0.01 0.00 0.09 0.00 0.00 40.66 40.91 1a6r h LEU 219 CO -0.03 0.52 0.02 0.24 0.09 0.00 0.00 178.44 179.27 1a6r h MET 220 N 0.43 0.68 0.00 1.13 2.86 -0.67 -2.87 114.93 116.48 1a6r h MET 220 Ca 0.09 -0.21 0.00 0.00 -2.06 0.00 0.00 59.70 57.52 1a6r h MET 220 Cb 0.35 -0.07 0.00 0.00 0.06 0.00 0.00 31.60 31.94 1a6r h MET 220 CO 0.01 0.76 0.00 -1.13 1.06 0.00 0.00 176.91 177.62 1a6r n SER 221 N -4.48 0.45 0.08 1.22 3.41 -0.47 -1.08 113.62 112.75 1a6r n SER 221 Ca -0.01 0.68 -0.08 0.00 -0.26 0.00 0.00 58.87 59.19 1a6r n SER 221 Cb 0.27 -0.75 -0.06 0.00 -0.26 0.00 0.00 64.21 63.41 1a6r n SER 221 CO 0.00 0.00 0.00 -0.07 -0.16 0.00 0.00 175.04 174.81 1a6r h LEU 222 N 0.00 0.15 0.00 1.04 3.38 -1.46 -3.37 115.31 115.05 1a6r h LEU 222 Ca 0.00 -0.14 -0.07 0.00 0.09 0.00 0.00 57.88 57.76 1a6r h LEU 222 Cb 0.09 -0.05 -0.01 0.00 0.09 0.00 0.00 40.66 40.78 1a6r h LEU 222 CO 0.00 1.03 -2.00 0.49 0.09 0.00 0.00 178.44 178.05 1a6r n PHE 223 N -3.52 0.08 -3.82 1.13 3.01 -0.24 -4.96 117.46 109.14 1a6r n PHE 223 Ca -0.03 0.03 -0.11 0.00 1.01 0.00 0.00 57.45 58.35 1a6r n PHE 223 Cb 0.88 -0.63 -0.09 0.00 -0.01 0.00 0.00 39.48 39.63 1a6r n PHE 223 CO 0.00 0.00 0.00 -1.64 1.01 0.00 0.00 176.76 176.13 1a6r s MET 224 N -3.31 0.67 0.41 -1.08 -1.94 -0.73 -4.54 119.30 108.79 1a6r s MET 224 Ca -0.08 -0.49 -0.10 0.00 -1.71 0.00 0.00 55.69 53.31 1a6r s MET 224 Cb 0.12 0.28 -0.06 0.00 2.01 0.00 0.00 34.83 37.18 1a6r s MET 224 CO 0.89 -0.19 0.77 -0.51 -0.01 0.00 0.00 175.02 175.96 1a6r s ASP 225 N -1.82 6.49 0.42 3.03 1.01 -1.26 -3.83 116.67 120.71 1a6r s ASP 225 Ca -0.08 1.10 -0.24 0.00 0.71 0.00 0.00 52.55 54.04 1a6r s ASP 225 Cb -0.03 -2.31 -0.08 0.00 1.01 0.00 0.00 42.92 41.51 1a6r s ASP 225 CO -0.01 -0.42 1.12 -0.51 0.21 0.00 0.00 175.17 175.56 1a6r s ILE 226 N -2.41 3.37 0.66 0.77 2.07 -1.26 -4.93 121.20 119.47 1a6r s ILE 226 Ca 0.51 1.07 -0.17 0.00 -1.41 0.00 0.00 60.65 60.65 1a6r s ILE 226 Cb -0.10 -3.57 -0.05 0.00 0.13 0.00 0.00 42.46 38.87 1a6r s ILE 226 CO 0.33 0.03 0.70 -2.65 -1.91 0.00 0.00 174.94 171.44 1a6r n PRO 227 N -0.14 0.52 0.26 3.50 -0.02 -1.26 -4.90 135.00 132.96 1a6r n PRO 227 Ca 0.05 0.22 0.11 0.00 -2.02 0.00 0.00 63.50 61.86 1a6r n PRO 227 Cb 0.48 -1.94 0.70 0.00 -0.02 0.00 0.00 33.50 32.73 1a6r n PRO 227 CO 0.00 0.00 0.00 -1.00 1.98 0.00 0.00 175.50 176.48 1a6r h PRO 228 N -0.01 0.00 -5.83 0.52 0.13 -1.91 -3.44 132.00 121.46 1a6r h PRO 228 Ca -0.47 0.00 -0.50 0.00 -0.87 0.00 0.00 66.00 64.17 1a6r h PRO 228 Cb 1.36 0.00 -0.20 0.00 0.13 0.00 0.00 31.00 32.30 1a6r h PRO 228 CO 0.46 0.08 -0.79 0.14 -0.23 0.00 0.00 178.00 177.67 1a6r s VAL 229 N -4.59 1.60 0.62 1.56 -7.23 -1.26 -5.14 120.40 105.96 1a6r s VAL 229 Ca -0.04 -1.69 -0.07 0.00 -1.81 0.00 0.00 61.98 58.37 1a6r s VAL 229 Cb 0.15 -1.60 0.01 0.00 0.56 0.00 0.00 36.38 35.50 1a6r s VAL 229 CO 0.62 -0.25 0.94 -1.10 -0.31 0.00 0.00 175.10 175.00 1a6r s GLN 230 N -2.38 2.84 0.45 4.82 -0.21 -1.26 -4.94 119.66 118.99 1a6r s GLN 230 Ca 0.09 0.03 0.20 0.00 0.02 0.00 0.00 55.36 55.70 1a6r s GLN 230 Cb -0.07 -2.23 1.17 0.00 1.00 0.00 0.00 33.01 32.88 1a6r s GLN 230 CO 0.05 -0.79 1.90 -1.35 -2.12 0.00 0.00 175.29 172.97 1a6r h PRO 231 N -0.27 0.29 -0.38 2.91 0.11 -1.87 -1.28 132.00 131.50 1a6r h PRO 231 Ca -0.45 -0.02 0.00 0.00 0.11 0.00 0.00 66.00 65.64 1a6r h PRO 231 Cb 1.26 -0.07 0.00 0.00 0.11 0.00 0.00 31.00 32.31 1a6r h PRO 231 CO 0.61 0.19 0.00 0.09 -0.21 0.00 0.00 178.00 178.68 1a6r n ASN 232 N -4.45 3.68 -4.81 -2.05 3.02 -1.26 -2.00 115.26 107.39 1a6r n ASN 232 Ca 0.16 -2.46 -0.37 0.00 -0.03 0.00 0.00 54.58 51.88 1a6r n ASN 232 Cb 0.67 -0.42 -0.06 0.00 -0.61 0.00 0.00 39.78 39.36 1a6r n ASN 232 CO 0.00 0.00 0.00 -0.70 -2.62 0.00 0.00 177.26 173.94 1a6r s GLU 233 N -1.84 3.89 0.50 3.52 2.12 -0.48 -4.94 118.70 121.46 1a6r s GLU 233 Ca 0.36 0.14 -0.20 0.00 0.36 0.00 0.00 54.97 55.63 1a6r s GLU 233 Cb 0.25 -3.28 -0.08 0.00 0.26 0.00 0.00 34.13 31.28 1a6r s GLU 233 CO 0.15 0.57 1.07 -0.65 -0.54 0.00 0.00 175.26 175.86 1a6r s GLN 234 N -0.55 3.66 0.07 4.30 -0.21 -1.26 -4.08 119.66 121.59 1a6r s GLN 234 Ca 0.19 1.45 0.01 0.00 0.02 0.00 0.00 55.36 57.02 1a6r s GLN 234 Cb -0.14 -2.07 -0.04 0.00 1.00 0.00 0.00 33.01 31.76 1a6r s GLN 234 CO 0.07 -0.56 -0.05 -0.59 -2.12 0.00 0.00 175.29 172.03 1a6r s PHE 235 N -1.90 0.69 -0.07 0.91 -0.12 0.16 -4.94 117.98 112.71 1a6r s PHE 235 Ca 0.69 -0.86 0.05 0.00 -0.05 0.00 0.00 56.93 56.76 1a6r s PHE 235 Cb -0.19 -0.43 -0.01 0.00 -0.63 0.00 0.00 43.02 41.76 1a6r s PHE 235 CO 0.22 -0.21 -0.24 0.95 -0.05 0.00 0.00 175.22 175.90 1a6r s THR 236 N -3.16 2.17 -0.15 -4.49 -4.23 -1.26 -1.01 115.64 103.52 1a6r s THR 236 Ca 0.04 -1.02 0.00 0.00 -1.18 0.00 0.00 61.69 59.54 1a6r s THR 236 Cb 0.02 -1.80 0.03 0.00 1.34 0.00 0.00 72.50 72.09 1a6r s THR 236 CO -0.05 0.57 -0.10 0.86 -0.54 0.00 0.00 174.62 175.35 1a6r s TRP 237 N -0.09 1.93 -0.13 3.99 -0.00 0.12 -4.94 118.94 119.82 1a6r s TRP 237 Ca -0.06 -1.11 -0.06 0.00 -0.00 0.00 0.00 56.10 54.87 1a6r s TRP 237 Cb -0.14 -1.45 -0.04 0.00 -0.00 0.00 0.00 33.47 31.83 1a6r s TRP 237 CO 0.04 -0.63 0.08 -1.21 -0.00 0.00 0.00 176.95 175.24 1a6r s GLU 238 N 1.56 3.52 0.27 5.86 2.02 -1.26 -0.01 118.70 130.66 1a6r s GLU 238 Ca 0.03 -0.27 -0.13 0.00 0.02 0.00 0.00 54.97 54.63 1a6r s GLU 238 Cb -0.14 -3.10 0.00 0.00 0.10 0.00 0.00 34.13 30.99 1a6r s GLU 238 CO -0.09 0.59 0.52 1.52 0.02 0.00 0.00 175.26 177.81 1a6r s TYR 239 N -0.51 0.37 -0.06 1.61 1.13 0.07 -4.97 117.35 115.00 1a6r s TYR 239 Ca 0.11 -0.75 0.05 0.00 -1.41 0.00 0.00 57.07 55.07 1a6r s TYR 239 Cb -0.12 0.24 -0.02 0.00 -1.10 0.00 0.00 41.96 40.97 1a6r s TYR 239 CO 0.02 -1.06 -0.20 0.08 -2.51 0.00 0.00 175.55 171.88 1a6r s VAL 240 N -3.81 2.56 0.40 -3.49 1.01 -1.26 0.13 120.40 115.94 1a6r s VAL 240 Ca 0.22 -0.89 -0.02 0.00 0.00 0.00 0.00 61.98 61.29 1a6r s VAL 240 Cb -0.01 -1.98 0.08 0.00 0.00 0.00 0.00 36.38 34.47 1a6r s VAL 240 CO 0.10 0.57 0.55 -0.90 0.00 0.00 0.00 175.10 175.42 1a6r n ASP 241 N 2.72 0.56 0.26 3.32 5.68 0.02 -4.75 116.55 124.35 1a6r n ASP 241 Ca -0.17 -1.52 0.09 0.00 -0.50 0.00 0.00 54.79 52.70 1a6r n ASP 241 Cb 0.52 -0.37 0.67 0.00 -1.14 0.00 0.00 41.12 40.80 1a6r n ASP 241 CO 0.00 0.00 0.00 0.11 -1.33 0.00 0.00 177.20 175.98 1a6r h LYS 242 N 0.00 0.00 -0.60 0.11 1.57 -1.00 -1.71 116.57 114.94 1a6r h LYS 242 Ca -0.18 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.60 1a6r h LYS 242 Cb 0.62 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.93 1a6r h LYS 242 CO 0.18 0.09 0.00 -0.25 -0.57 0.00 0.00 179.45 178.90 1a6r n ASP 243 N -4.14 2.77 -0.39 0.86 8.00 -1.26 -4.89 116.55 117.50 1a6r n ASP 243 Ca -0.03 -2.26 -0.05 0.00 0.71 0.00 0.00 54.79 53.17 1a6r n ASP 243 Cb 0.17 -0.44 -0.02 0.00 -0.02 0.00 0.00 41.12 40.81 1a6r n ASP 243 CO 0.00 0.00 0.00 0.29 -0.39 0.00 0.00 177.20 177.10 1a6r n LYS 244 N 0.45 -0.88 -3.01 -1.24 5.02 -0.64 -5.00 118.16 112.86 1a6r n LYS 244 Ca 0.13 0.55 -0.40 0.00 -2.02 0.00 0.00 58.31 56.58 1a6r n LYS 244 Cb 0.54 -4.40 -0.05 0.00 -0.02 0.00 0.00 35.03 31.10 1a6r n LYS 244 CO 0.00 0.00 0.00 0.21 -0.52 0.00 0.00 177.40 177.09 1a6r s LYS 245 N -1.92 4.48 0.17 1.97 2.36 -1.26 -4.80 119.74 120.73 1a6r s LYS 245 Ca 0.00 1.04 -0.21 0.00 -2.55 0.00 0.00 55.97 54.25 1a6r s LYS 245 Cb 0.00 -3.34 -0.08 0.00 -1.05 0.00 0.00 37.83 33.36 1a6r s LYS 245 CO 0.00 0.35 0.69 0.42 1.55 0.00 0.00 175.35 178.36 1a6r s ILE 246 N -0.28 4.57 0.09 5.43 -1.09 -1.26 -0.80 121.20 127.86 1a6r s ILE 246 Ca 0.37 1.35 -0.02 0.00 -2.23 0.00 0.00 60.65 60.12 1a6r s ILE 246 Cb -0.21 -3.94 -0.04 0.00 -1.58 0.00 0.00 42.46 36.70 1a6r s ILE 246 CO 0.23 0.38 0.04 -1.00 -1.23 0.00 0.00 174.94 173.35 1a6r s HIS 247 N -1.32 0.64 -0.01 3.97 3.76 0.12 -4.97 115.29 117.47 1a6r s HIS 247 Ca 0.37 -1.09 0.02 0.00 -0.15 0.00 0.00 55.06 54.20 1a6r s HIS 247 Cb -0.19 -0.39 0.00 0.00 1.11 0.00 0.00 32.58 33.11 1a6r s HIS 247 CO 0.22 -0.47 -0.05 0.99 -0.85 0.00 0.00 174.74 174.58 1a6r s THR 248 N -3.97 0.47 -0.09 1.30 2.01 -1.26 -0.75 115.64 113.36 1a6r s THR 248 Ca 0.15 -0.21 0.03 0.00 0.31 0.00 0.00 61.69 61.97 1a6r s THR 248 Cb 0.07 -0.43 0.01 0.00 0.01 0.00 0.00 72.50 72.16 1a6r s THR 248 CO -0.05 0.15 -0.19 -0.63 -0.69 0.00 0.00 174.62 173.22 1a6r s ILE 249 N 0.13 1.68 -0.22 1.82 1.01 0.99 -4.93 121.20 121.67 1a6r s ILE 249 Ca -0.01 -0.80 -0.05 0.00 0.00 0.00 0.00 60.65 59.79 1a6r s ILE 249 Cb -0.05 -1.47 -0.02 0.00 0.01 0.00 0.00 42.46 40.92 1a6r s ILE 249 CO -0.00 0.48 0.00 -0.75 0.00 0.00 0.00 174.94 174.67 1a6r s LYS 250 N 0.47 3.53 0.35 2.79 2.20 -1.26 0.11 119.74 127.92 1a6r s LYS 250 Ca -0.17 -0.55 -0.07 0.00 -0.36 0.00 0.00 55.97 54.82 1a6r s LYS 250 Cb -0.17 -3.12 0.03 0.00 -1.51 0.00 0.00 37.83 33.06 1a6r s LYS 250 CO 0.07 -0.13 0.59 0.45 -0.36 0.00 0.00 175.35 175.96 1a6r n SER 251 N 4.67 -1.68 -4.51 1.43 2.88 -0.18 -4.93 113.62 111.31 1a6r n SER 251 Ca -0.17 -2.64 -0.26 0.00 -1.33 0.00 0.00 58.87 54.48 1a6r n SER 251 Cb 0.51 2.94 -0.10 0.00 -0.75 0.00 0.00 64.21 66.81 1a6r n SER 251 CO 0.00 0.00 0.00 0.42 -1.23 0.00 0.00 175.04 174.23 1a6r s THR 252 N -2.50 2.78 0.25 2.46 -4.23 -1.26 0.37 115.64 113.51 1a6r s THR 252 Ca 0.21 -2.00 -0.03 0.00 -1.18 0.00 0.00 61.69 58.69 1a6r s THR 252 Cb -0.03 -2.40 0.23 0.00 1.34 0.00 0.00 72.50 71.64 1a6r s THR 252 CO 0.16 -0.22 1.81 -0.65 -0.54 0.00 0.00 174.62 175.18 1a6r h PRO 253 N 2.71 0.80 -0.34 3.99 0.11 -1.69 0.19 132.00 137.77 1a6r h PRO 253 Ca -0.45 -0.05 -0.13 0.00 0.11 0.00 0.00 66.00 65.48 1a6r h PRO 253 Cb 1.23 -0.18 -0.01 0.00 0.11 0.00 0.00 31.00 32.14 1a6r h PRO 253 CO 0.54 0.53 -0.33 -0.07 -0.21 0.00 0.00 178.00 178.47 1a6r h LEU 254 N 0.83 0.78 -0.53 2.35 3.38 -1.59 -0.50 115.31 120.02 1a6r h LEU 254 Ca 0.42 -0.33 -0.16 0.00 0.09 0.00 0.00 57.88 57.90 1a6r h LEU 254 Cb 0.39 -0.22 -0.01 0.00 0.09 0.00 0.00 40.66 40.92 1a6r h LEU 254 CO -0.25 1.05 -0.57 -0.08 0.09 0.00 0.00 178.44 178.68 1a6r h GLU 255 N 0.63 0.51 -0.26 1.13 4.81 -1.68 -3.25 114.58 116.46 1a6r h GLU 255 Ca 0.07 -0.33 -0.01 0.00 -0.13 0.00 0.00 59.36 58.96 1a6r h GLU 255 Cb 0.86 0.04 -0.01 0.00 0.63 0.00 0.00 28.75 30.27 1a6r h GLU 255 CO 0.08 0.93 0.13 0.35 -0.73 0.00 0.00 179.01 179.77 1a6r h PHE 256 N 0.39 0.38 -0.91 0.92 3.57 -0.53 0.26 116.94 121.02 1a6r h PHE 256 Ca 0.00 -0.02 0.22 0.00 3.53 0.00 0.00 57.97 61.70 1a6r h PHE 256 Cb 1.10 -0.12 -0.12 0.00 2.79 0.00 0.00 35.95 39.60 1a6r h PHE 256 CO 0.04 0.36 0.42 0.00 -2.23 0.00 0.00 178.31 176.90 1a6r h ALA 257 N 0.99 1.47 0.00 2.41 0.00 -1.47 -0.14 119.26 122.52 1a6r h ALA 257 Ca 0.09 0.15 -0.07 0.00 0.00 0.00 0.00 54.91 55.08 1a6r h ALA 257 Cb 0.12 0.12 -0.01 0.00 0.00 0.00 0.00 17.79 18.02 1a6r h ALA 257 CO -0.01 -0.31 -0.51 1.03 0.00 0.00 0.00 179.25 179.45 1a6r h SER 258 N 0.44 0.00 -0.58 0.00 0.87 -1.57 -1.00 113.55 111.70 1a6r h SER 258 Ca 0.56 -0.44 -0.08 0.00 -1.23 0.00 0.00 61.79 60.60 1a6r h SER 258 Cb 1.05 0.00 -0.02 0.00 -0.44 0.00 0.00 62.40 62.99 1a6r h SER 258 CO -0.51 1.01 0.04 0.50 -0.53 0.00 0.00 176.83 177.33 1a6r h LYS 259 N -1.00 1.01 0.00 2.24 3.64 -0.37 -2.70 116.57 119.38 1a6r h LYS 259 Ca -0.11 -0.30 -0.30 0.00 -1.27 0.00 0.00 60.65 58.67 1a6r h LYS 259 Cb 0.80 -0.10 -0.04 0.00 -0.41 0.00 0.00 32.23 32.47 1a6r h LYS 259 CO -0.07 0.98 -1.98 0.66 -2.27 0.00 0.00 179.45 176.77 1a6r n TYR 260 N -4.25 0.00 0.62 1.91 4.01 -0.14 -4.55 117.16 114.76 1a6r n TYR 260 Ca 0.03 0.00 0.08 0.00 -0.16 0.00 0.00 57.90 57.85 1a6r n TYR 260 Cb 0.32 -0.63 0.38 0.00 -0.31 0.00 0.00 39.34 39.09 1a6r n TYR 260 CO 0.00 0.00 0.00 0.00 -0.46 0.00 0.00 176.86 176.40 1a6r n ALA 261 N -3.75 1.81 -1.76 -0.72 0.00 -0.75 -4.10 120.51 111.24 1a6r n ALA 261 Ca -0.35 -0.06 -0.20 0.00 0.00 0.00 0.00 53.44 52.83 1a6r n ALA 261 Cb 0.75 -1.28 -0.07 0.00 0.00 0.00 0.00 19.45 18.85 1a6r n ALA 261 CO 0.00 0.00 0.00 1.63 0.00 0.00 0.00 177.50 179.13 1a6r n LYS 262 N -1.49 -1.42 -3.16 0.00 4.76 -0.95 -4.84 118.16 111.06 1a6r n LYS 262 Ca 0.05 1.14 -0.40 0.00 -2.87 0.00 0.00 58.31 56.23 1a6r n LYS 262 Cb 0.20 -5.54 -0.06 0.00 -1.84 0.00 0.00 35.03 27.79 1a6r n LYS 262 CO 0.00 0.00 0.00 -1.17 -1.37 0.00 0.00 177.40 174.86 1a6r s LEU 263 N -4.78 4.17 -0.40 -0.35 2.96 -0.42 -4.96 118.68 114.90 1a6r s LEU 263 Ca 0.00 0.83 -0.02 0.00 -0.22 0.00 0.00 54.13 54.71 1a6r s LEU 263 Cb 0.00 -2.84 0.11 0.00 0.50 0.00 0.00 46.19 43.96 1a6r s LEU 263 CO 0.00 -0.21 0.19 -0.62 -1.32 0.00 0.00 176.35 174.39 1a6r s ASP 264 N 1.09 5.21 0.00 3.68 -1.08 -1.26 -4.00 116.67 120.30 1a6r s ASP 264 Ca 0.28 -2.02 0.00 0.00 -0.52 0.00 0.00 52.55 50.29 1a6r s ASP 264 Cb -0.16 -1.81 0.00 0.00 -1.46 0.00 0.00 42.92 39.49 1a6r s ASP 264 CO 0.11 -0.52 0.63 -2.65 0.52 0.00 0.00 175.17 173.26 1a6r n PRO 265 N 4.57 0.00 0.00 4.34 -0.02 -1.26 -1.72 135.00 140.91 1a6r n PRO 265 Ca -0.02 0.19 0.11 0.00 -2.02 0.00 0.00 63.50 61.76 1a6r n PRO 265 Cb 0.41 -1.55 0.07 0.00 -0.02 0.00 0.00 33.50 32.41 1a6r n PRO 265 CO 0.00 0.00 0.00 -1.13 1.98 0.00 0.00 175.50 176.35 1a6r n SER 266 N -1.13 1.07 -0.09 2.55 3.41 -1.26 -4.56 113.62 113.61 1a6r n SER 266 Ca 0.00 -0.88 -0.08 0.00 -0.26 0.00 0.00 58.87 57.64 1a6r n SER 266 Cb 0.05 0.58 -0.14 0.00 -0.26 0.00 0.00 64.21 64.45 1a6r n SER 266 CO 0.00 0.00 0.00 0.35 -0.16 0.00 0.00 175.04 175.23 1a6r n THR 267 N -1.10 1.19 -2.48 6.66 -2.24 -0.70 -4.93 114.28 110.68 1a6r n THR 267 Ca 0.07 -0.74 -0.39 0.00 -2.27 0.00 0.00 64.05 60.72 1a6r n THR 267 Cb 0.36 -0.53 -0.04 0.00 -2.10 0.00 0.00 70.33 68.02 1a6r n THR 267 CO 0.00 0.00 0.00 -2.16 -0.57 0.00 0.00 175.07 172.34 1a6r s PRO 268 N -2.43 4.45 0.05 -0.78 0.04 -1.26 -0.06 135.00 135.01 1a6r s PRO 268 Ca -0.09 1.72 0.04 0.00 0.04 0.00 0.00 61.00 62.72 1a6r s PRO 268 Cb 0.05 -2.96 -0.02 0.00 0.04 0.00 0.00 34.50 31.61 1a6r s PRO 268 CO 0.72 0.06 -0.12 0.14 0.04 0.00 0.00 177.00 177.84 1a6r s VAL 269 N -1.33 0.90 -0.21 -0.36 -7.23 0.92 -4.87 120.40 108.21 1a6r s VAL 269 Ca 0.49 -1.05 -0.13 0.00 -1.81 0.00 0.00 61.98 59.49 1a6r s VAL 269 Cb -0.29 -0.86 -0.05 0.00 0.56 0.00 0.00 36.38 35.74 1a6r s VAL 269 CO 0.37 -0.16 0.25 -0.44 -0.31 0.00 0.00 175.10 174.81 1a6r s SER 270 N -1.35 6.27 -0.07 4.85 0.01 -1.26 -1.75 113.70 120.40 1a6r s SER 270 Ca -0.03 0.30 0.01 0.00 1.31 0.00 0.00 55.95 57.55 1a6r s SER 270 Cb -0.09 -2.15 -0.03 0.00 0.21 0.00 0.00 66.02 63.96 1a6r s SER 270 CO 0.01 0.04 -0.08 -0.76 0.41 0.00 0.00 173.24 172.85 1a6r s LEU 271 N 1.00 3.08 0.20 2.44 1.43 -0.55 -1.96 118.68 124.32 1a6r s LEU 271 Ca 0.12 -0.07 0.09 0.00 -1.03 0.00 0.00 54.13 53.24 1a6r s LEU 271 Cb -0.14 -1.67 -0.05 0.00 0.03 0.00 0.00 46.19 44.37 1a6r s LEU 271 CO 0.05 0.34 -0.17 0.27 0.23 0.00 0.00 176.35 177.07 1a6r s ILE 272 N -0.68 1.93 -0.54 -0.59 -4.36 -0.65 -1.64 121.20 114.66 1a6r s ILE 272 Ca 0.10 -2.12 0.01 0.00 -0.26 0.00 0.00 60.65 58.39 1a6r s ILE 272 Cb -0.11 -2.01 0.14 0.00 1.25 0.00 0.00 42.46 41.73 1a6r s ILE 272 CO 0.02 -0.43 0.31 0.21 0.24 0.00 0.00 174.94 175.29 1a6r s ASN 273 N -3.05 4.70 -0.53 4.36 3.84 0.19 -0.64 114.94 123.81 1a6r s ASN 273 Ca 0.21 -2.88 0.00 0.00 0.21 0.00 0.00 52.86 50.40 1a6r s ASN 273 Cb -0.04 -1.72 0.14 0.00 -0.55 0.00 0.00 41.25 39.08 1a6r s ASN 273 CO 0.08 -0.30 0.31 -0.62 -2.79 0.00 0.00 177.10 173.78 1a6r s ASP 274 N 0.19 4.87 0.03 -4.21 2.15 -1.26 -4.82 116.67 113.62 1a6r s ASP 274 Ca 0.16 -2.74 0.02 0.00 0.43 0.00 0.00 52.55 50.42 1a6r s ASP 274 Cb -0.23 -1.75 0.10 0.00 -0.30 0.00 0.00 42.92 40.74 1a6r s ASP 274 CO -0.02 -0.34 1.03 -2.65 -0.17 0.00 0.00 175.17 173.02 1a6r n PRO 275 N 3.57 0.01 0.07 4.34 -0.02 -1.26 -1.59 135.00 140.12 1a6r n PRO 275 Ca 0.05 0.48 0.11 0.00 -2.02 0.00 0.00 63.50 62.13 1a6r n PRO 275 Cb 0.37 -1.57 0.45 0.00 -0.02 0.00 0.00 33.50 32.72 1a6r n PRO 275 CO 0.00 0.00 0.00 0.54 1.98 0.00 0.00 175.50 178.02 1a6r n ARG 276 N -1.54 0.13 -4.33 -0.52 1.74 -1.26 -4.82 116.66 106.05 1a6r n ARG 276 Ca -0.00 0.26 -0.18 0.00 -0.77 0.00 0.00 57.85 57.16 1a6r n ARG 276 Cb 0.04 -1.70 -0.10 0.00 -1.02 0.00 0.00 32.46 29.67 1a6r n ARG 276 CO 0.00 0.00 0.00 -1.01 -1.52 0.00 0.00 177.63 175.10 1a6r s HIS 277 N -3.14 1.65 0.45 -1.55 3.76 -0.62 -5.12 115.29 110.72 1a6r s HIS 277 Ca 0.08 -0.59 -0.24 0.00 -0.15 0.00 0.00 55.06 54.17 1a6r s HIS 277 Cb 0.12 -0.78 -0.08 0.00 1.11 0.00 0.00 32.58 32.95 1a6r s HIS 277 CO 0.43 0.32 1.18 -1.25 -0.85 0.00 0.00 174.74 174.56 1a6r s PRO 278 N -3.56 3.82 0.48 8.40 0.04 -1.26 -4.90 135.00 138.01 1a6r s PRO 278 Ca 0.21 1.82 -0.20 0.00 0.04 0.00 0.00 61.00 62.87 1a6r s PRO 278 Cb -0.01 -2.48 -0.09 0.00 0.04 0.00 0.00 34.50 31.96 1a6r s PRO 278 CO 0.06 -0.51 1.01 0.71 0.04 0.00 0.00 177.00 178.30 1a6r s TYR 279 N -1.49 3.13 0.00 0.56 2.02 -1.26 -3.68 117.35 116.63 1a6r s TYR 279 Ca 0.62 1.58 0.00 0.00 -0.37 0.00 0.00 57.07 58.90 1a6r s TYR 279 Cb -0.30 -2.97 0.00 0.00 -0.40 0.00 0.00 41.96 38.29 1a6r s TYR 279 CO 0.37 -0.57 0.00 0.41 -1.57 0.00 0.00 175.55 174.18 1a6r n GLY 280 N -0.52 0.78 3.92 0.71 0.00 0.13 -4.99 105.19 105.23 1a6r n GLY 280 Ca 0.08 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.81 1a6r n GLY 280 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1a6r s LYS 281 N -0.55 3.50 -0.15 1.61 3.01 -1.24 -4.90 119.74 121.02 1a6r s LYS 281 Ca 0.00 -0.37 -0.14 0.00 -1.01 0.00 0.00 55.97 54.45 1a6r s LYS 281 Cb 0.00 -2.92 -0.05 0.00 -1.01 0.00 0.00 37.83 33.86 1a6r s LYS 281 CO 0.00 0.49 0.30 -0.51 0.51 0.00 0.00 175.35 176.14 1a6r s LEU 282 N -2.98 4.26 -0.12 3.17 1.02 -1.26 -0.37 118.68 122.41 1a6r s LEU 282 Ca 0.37 0.54 -0.01 0.00 0.02 0.00 0.00 54.13 55.06 1a6r s LEU 282 Cb -0.12 -2.39 -0.02 0.00 0.02 0.00 0.00 46.19 43.68 1a6r s LEU 282 CO 0.28 0.11 -0.09 -0.63 0.02 0.00 0.00 176.35 176.04 1a6r s ILE 283 N 0.36 3.42 -0.06 -0.59 1.09 0.10 -0.09 121.20 125.43 1a6r s ILE 283 Ca 0.17 -0.54 0.05 0.00 -1.10 0.00 0.00 60.65 59.23 1a6r s ILE 283 Cb -0.13 -2.44 -0.01 0.00 -1.06 0.00 0.00 42.46 38.82 1a6r s ILE 283 CO 0.05 0.53 -0.23 -0.75 -0.10 0.00 0.00 174.94 174.44 1a6r s LYS 284 N 0.04 2.47 -0.35 2.79 2.20 0.80 0.22 119.74 127.91 1a6r s LYS 284 Ca -0.03 -0.85 -0.17 0.00 -0.36 0.00 0.00 55.97 54.57 1a6r s LYS 284 Cb -0.14 -2.06 -0.01 0.00 -1.51 0.00 0.00 37.83 34.11 1a6r s LYS 284 CO 0.04 0.33 0.47 0.42 -0.36 0.00 0.00 175.35 176.24 1a6r s ILE 285 N -0.06 5.06 0.37 5.43 -1.09 -0.34 -1.19 121.20 129.38 1a6r s ILE 285 Ca -0.06 0.24 -0.28 0.00 -2.23 0.00 0.00 60.65 58.32 1a6r s ILE 285 Cb -0.14 -3.93 -0.11 0.00 -1.58 0.00 0.00 42.46 36.70 1a6r s ILE 285 CO 0.04 -0.19 1.49 -0.62 -1.23 0.00 0.00 174.94 174.44 1a6r s ASP 286 N 1.75 6.36 0.00 3.58 2.15 -0.26 -3.52 116.67 126.73 1a6r s ASP 286 Ca 0.17 3.03 0.00 0.00 0.43 0.00 0.00 52.55 56.18 1a6r s ASP 286 Cb -0.16 -2.66 0.00 0.00 -0.30 0.00 0.00 42.92 39.80 1a6r s ASP 286 CO 0.13 -0.87 0.00 0.54 -0.17 0.00 0.00 175.17 174.80 1a6r n ARG 287 N 0.65 0.00 -2.08 4.34 1.74 -1.26 -3.57 116.66 116.48 1a6r n ARG 287 Ca 0.02 0.00 -0.42 0.00 -0.77 0.00 0.00 57.85 56.68 1a6r n ARG 287 Cb 0.39 -3.79 -0.03 0.00 -1.02 0.00 0.00 32.46 28.01 1a6r n ARG 287 CO 0.00 0.00 0.00 -1.17 -1.52 0.00 0.00 177.63 174.94 1a6r s LEU 288 N 0.00 4.36 0.00 0.55 2.96 -1.23 -4.96 118.68 120.36 1a6r s LEU 288 Ca 0.00 2.39 -0.10 0.00 -0.22 0.00 0.00 54.13 56.21 1a6r s LEU 288 Cb 0.00 -3.58 0.03 0.00 0.50 0.00 0.00 46.19 43.14 1a6r s LEU 288 CO 0.00 -0.74 0.44 0.61 -1.32 0.00 0.00 176.35 175.33 1a6r n GLY 289 N 3.66 0.42 1.93 7.98 0.00 -1.26 -4.26 105.19 113.66 1a6r n GLY 289 Ca 0.13 -0.89 0.00 0.00 0.00 0.00 0.00 46.02 45.26 1a6r n GLY 289 CO 0.00 0.00 0.00 1.16 0.00 0.00 0.00 173.32 174.48 1a6r n ASN 290 N -0.41 -0.00 -4.59 1.61 6.94 -1.26 -4.94 115.26 112.60 1a6r n ASN 290 Ca 0.02 0.01 -0.41 0.00 -0.02 0.00 0.00 54.58 54.18 1a6r n ASN 290 Cb 0.19 0.01 -0.06 0.00 -2.36 0.00 0.00 39.78 37.56 1a6r n ASN 290 CO 0.00 0.00 0.00 -0.69 -1.03 0.00 0.00 177.26 175.54 1a6r s VAL 291 N -2.00 4.92 -0.22 3.53 1.01 -1.26 -3.29 120.40 123.08 1a6r s VAL 291 Ca 0.00 0.80 -0.40 0.00 0.00 0.00 0.00 61.98 62.38 1a6r s VAL 291 Cb 0.00 -4.03 -0.16 0.00 0.00 0.00 0.00 36.38 32.19 1a6r s VAL 291 CO 0.00 -0.19 1.68 -0.11 0.00 0.00 0.00 175.10 176.48 1a6r n LEU 292 N 5.94 2.26 0.00 3.92 7.94 -1.26 -0.43 117.00 135.37 1a6r n LEU 292 Ca -0.01 1.08 0.00 0.00 -1.11 0.00 0.00 56.01 55.97 1a6r n LEU 292 Cb 0.49 -1.14 0.00 0.00 0.53 0.00 0.00 43.42 43.29 1a6r n LEU 292 CO 0.47 -0.53 0.00 0.61 -1.11 0.00 0.00 177.39 176.83 1a6r n GLY 293 N 3.93 0.41 0.30 -3.96 0.00 -1.26 -5.02 105.19 99.59 1a6r n GLY 293 Ca 0.25 0.00 -0.02 0.00 0.00 0.00 0.00 46.02 46.25 1a6r n GLY 293 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1a6r n GLY 294 N -2.00 -1.63 3.76 -0.02 0.00 0.43 -4.98 105.19 100.76 1a6r n GLY 294 Ca 0.00 -1.59 -0.39 0.00 0.00 0.00 0.00 46.02 44.03 1a6r n GLY 294 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 1a6r s ASP 295 N -1.52 6.01 0.55 1.61 1.01 -1.26 -5.00 116.67 118.07 1a6r s ASP 295 Ca 0.06 2.72 -0.16 0.00 0.71 0.00 0.00 52.55 55.88 1a6r s ASP 295 Cb -0.00 -2.64 -0.06 0.00 1.01 0.00 0.00 42.92 41.23 1a6r s ASP 295 CO 0.04 -1.06 1.01 0.00 0.21 0.00 0.00 175.17 175.37 1a6r s ALA 296 N -1.27 2.97 -0.46 5.23 0.00 -1.26 -4.86 121.76 122.10 1a6r s ALA 296 Ca 0.61 0.22 -0.28 0.00 0.00 0.00 0.00 51.96 52.51 1a6r s ALA 296 Cb -0.39 -3.15 0.03 0.00 0.00 0.00 0.00 23.12 19.61 1a6r s ALA 296 CO 0.50 -0.45 1.10 0.08 0.00 0.00 0.00 175.76 176.98 1a6r s VAL 297 N -2.62 4.28 -0.03 0.00 1.01 -1.26 -4.98 120.40 116.79 1a6r s VAL 297 Ca 0.60 1.21 0.05 0.00 0.00 0.00 0.00 61.98 63.84 1a6r s VAL 297 Cb -0.12 -4.56 -0.01 0.00 0.00 0.00 0.00 36.38 31.70 1a6r s VAL 297 CO 0.35 -0.92 -0.19 -0.63 0.00 0.00 0.00 175.10 173.70 1a6r s ILE 298 N 4.25 1.55 0.08 2.22 -1.09 -1.26 -1.20 121.20 125.76 1a6r s ILE 298 Ca 0.46 -0.81 0.06 0.00 -2.23 0.00 0.00 60.65 58.13 1a6r s ILE 298 Cb -0.08 -1.31 -0.03 0.00 -1.58 0.00 0.00 42.46 39.46 1a6r s ILE 298 CO 0.29 0.44 -0.17 -0.31 -1.23 0.00 0.00 174.94 173.96 1a6r s TYR 299 N -0.25 1.46 -0.27 3.97 2.02 0.13 -4.56 117.35 119.85 1a6r s TYR 299 Ca 0.02 -0.43 -0.07 0.00 -0.37 0.00 0.00 57.07 56.22 1a6r s TYR 299 Cb -0.10 -0.82 -0.01 0.00 -0.40 0.00 0.00 41.96 40.64 1a6r s TYR 299 CO 0.01 0.12 0.08 -1.17 -1.57 0.00 0.00 175.55 173.01 1a6r s LEU 300 N -1.76 3.64 -0.07 -1.29 2.96 -0.83 0.03 118.68 121.36 1a6r s LEU 300 Ca 0.02 -0.45 -0.30 0.00 -0.22 0.00 0.00 54.13 53.18 1a6r s LEU 300 Cb -0.10 -1.90 -0.04 0.00 0.50 0.00 0.00 46.19 44.65 1a6r s LEU 300 CO 0.03 -0.11 1.36 0.21 -1.32 0.00 0.00 176.35 176.52 1a6r s ASN 301 N 1.56 6.88 0.05 3.68 2.47 0.51 -1.64 114.94 128.45 1a6r s ASN 301 Ca 0.05 1.95 0.02 0.00 0.42 0.00 0.00 52.86 55.29 1a6r s ASN 301 Cb -0.16 -2.55 -0.03 0.00 -1.45 0.00 0.00 41.25 37.06 1a6r s ASN 301 CO 0.03 -0.74 -0.06 -0.69 -3.72 0.00 0.00 177.10 171.91 1a6r s VAL 302 N 2.97 0.48 0.60 -5.21 1.01 0.19 0.19 120.40 120.63 1a6r s VAL 302 Ca 0.61 -1.25 -0.13 0.00 0.00 0.00 0.00 61.98 61.20 1a6r s VAL 302 Cb -0.28 -0.81 -0.04 0.00 0.00 0.00 0.00 36.38 35.26 1a6r s VAL 302 CO 0.23 -0.53 1.03 1.51 0.00 0.00 0.00 175.10 177.33 1a6r s ASP 303 N -1.91 6.14 0.36 3.32 1.47 -1.26 -4.21 116.67 120.57 1a6r s ASP 303 Ca -0.06 1.56 0.08 0.00 1.18 0.00 0.00 52.55 55.31 1a6r s ASP 303 Cb -0.06 -2.50 0.79 0.00 -0.34 0.00 0.00 42.92 40.81 1a6r s ASP 303 CO -0.01 -0.93 1.89 0.78 0.68 0.00 0.00 175.17 177.58 1a6r h ASN 304 N 0.12 0.66 -0.64 2.11 2.35 -1.95 -1.01 115.58 117.22 1a6r h ASN 304 Ca -0.45 0.03 -0.03 0.00 -0.55 0.00 0.00 56.30 55.29 1a6r h ASN 304 Cb 1.20 -0.11 -0.03 0.00 0.05 0.00 0.00 38.32 39.43 1a6r h ASN 304 CO 0.60 0.36 0.28 -0.08 -1.65 0.00 0.00 177.43 176.95 1a6r h GLU 305 N 0.72 0.97 -0.06 0.81 4.81 -1.99 -0.58 114.58 119.25 1a6r h GLU 305 Ca 0.41 -0.15 -0.17 0.00 -0.13 0.00 0.00 59.36 59.32 1a6r h GLU 305 Cb 0.59 -0.17 0.01 0.00 0.63 0.00 0.00 28.75 29.81 1a6r h GLU 305 CO -0.17 0.78 -0.62 1.15 -0.73 0.00 0.00 179.01 179.41 1a6r h THR 306 N 0.95 1.37 -0.54 0.32 2.02 -1.61 -2.82 112.91 112.61 1a6r h THR 306 Ca 0.23 -1.97 0.04 0.00 0.77 0.00 0.00 66.41 65.48 1a6r h THR 306 Cb 0.16 2.32 -0.04 0.00 -1.74 0.00 0.00 68.15 68.85 1a6r h THR 306 CO -0.02 0.59 0.29 -0.07 0.37 0.00 0.00 175.52 176.68 1a6r h LEU 307 N 0.12 0.45 -0.83 2.58 4.07 -1.19 -1.06 115.31 119.45 1a6r h LEU 307 Ca -0.06 0.02 -0.03 0.00 0.08 0.00 0.00 57.88 57.89 1a6r h LEU 307 Cb 1.29 -0.07 -0.04 0.00 1.08 0.00 0.00 40.66 42.92 1a6r h LEU 307 CO 0.13 0.31 0.40 0.28 -1.08 0.00 0.00 178.44 178.47 1a6r h SER 308 N 0.57 1.09 -0.49 -0.43 0.02 -1.13 -0.35 113.55 112.84 1a6r h SER 308 Ca 0.23 -0.14 -0.12 0.00 -0.84 0.00 0.00 61.79 60.92 1a6r h SER 308 Cb 0.10 -0.28 -0.01 0.00 0.14 0.00 0.00 62.40 62.35 1a6r h SER 308 CO -0.14 0.92 -0.18 0.11 -1.14 0.00 0.00 176.83 176.40 1a6r h LYS 309 N 1.18 1.00 -0.70 3.45 1.57 -1.19 -1.97 116.57 119.90 1a6r h LYS 309 Ca 0.28 -0.40 -0.01 0.00 -1.87 0.00 0.00 60.65 58.65 1a6r h LYS 309 Cb 0.12 -0.05 -0.03 0.00 0.08 0.00 0.00 32.23 32.35 1a6r h LYS 309 CO -0.04 1.08 0.40 -0.07 -0.57 0.00 0.00 179.45 180.25 1a6r h LEU 310 N 0.87 0.86 -0.17 2.94 3.38 -0.67 0.13 115.31 122.65 1a6r h LEU 310 Ca 0.12 -0.08 -0.01 0.00 0.09 0.00 0.00 57.88 58.00 1a6r h LEU 310 Cb 0.75 -0.22 -0.01 0.00 0.09 0.00 0.00 40.66 41.27 1a6r h LEU 310 CO 0.06 0.70 0.08 0.58 0.09 0.00 0.00 178.44 179.95 1a6r h VAL 311 N 0.96 1.14 -0.49 1.22 2.07 -0.77 -0.69 116.25 119.68 1a6r h VAL 311 Ca 0.25 -0.39 -0.03 0.00 0.82 0.00 0.00 66.70 67.35 1a6r h VAL 311 Cb 0.02 1.08 -0.02 0.00 -1.52 0.00 0.00 31.29 30.84 1a6r h VAL 311 CO -0.04 0.13 0.21 0.58 0.02 0.00 0.00 177.57 178.46 1a6r h VAL 312 N 0.15 1.20 -0.50 2.57 2.07 -1.19 -2.29 116.25 118.27 1a6r h VAL 312 Ca 0.06 -0.62 0.03 0.00 0.82 0.00 0.00 66.70 66.99 1a6r h VAL 312 Cb 0.13 0.70 -0.04 0.00 -1.52 0.00 0.00 31.29 30.57 1a6r h VAL 312 CO -0.01 0.24 0.29 0.50 0.02 0.00 0.00 177.57 178.60 1a6r h LYS 313 N 0.65 0.55 -0.11 1.57 3.64 -0.72 -0.25 116.57 121.90 1a6r h LYS 313 Ca 0.16 -0.03 0.00 0.00 -1.27 0.00 0.00 60.65 59.51 1a6r h LYS 313 Cb 0.17 -0.12 -0.01 0.00 -0.41 0.00 0.00 32.23 31.86 1a6r h LYS 313 CO -0.02 0.36 0.07 0.00 -2.27 0.00 0.00 179.45 177.60 1a6r h ARG 314 N 0.57 0.14 -0.99 1.90 3.08 -0.98 -1.85 114.38 116.26 1a6r h ARG 314 Ca 0.20 -0.01 0.02 0.00 0.07 0.00 0.00 59.98 60.26 1a6r h ARG 314 Cb 0.04 -0.03 -0.05 0.00 0.08 0.00 0.00 29.97 30.01 1a6r h ARG 314 CO -0.10 0.12 0.65 -0.07 -1.07 0.00 0.00 179.97 179.50 1a6r h LEU 315 N 0.13 1.12 -1.50 3.04 3.38 -1.16 0.00 115.31 120.32 1a6r h LEU 315 Ca 0.04 -0.02 -0.04 0.00 0.09 0.00 0.00 57.88 57.94 1a6r h LEU 315 Cb 0.01 -0.27 -0.01 0.00 0.09 0.00 0.00 40.66 40.48 1a6r h LEU 315 CO -0.01 0.80 -0.21 1.56 0.09 0.00 0.00 178.44 180.67 1a6r h GLN 316 N 1.31 0.00 -0.68 1.13 4.20 -0.73 -0.96 115.11 119.38 1a6r h GLN 316 Ca 0.37 0.00 0.00 0.00 0.06 0.00 0.00 58.65 59.08 1a6r h GLN 316 Cb -0.10 0.00 0.00 0.00 0.30 0.00 0.00 27.48 27.68 1a6r h GLN 316 CO -0.09 0.21 0.00 -1.71 -0.67 0.00 0.00 178.83 176.57 1a6r n ASN 317 N -3.62 3.39 -3.24 1.46 4.05 -0.09 -4.92 115.26 112.30 1a6r n ASN 317 Ca -0.01 -2.41 -0.22 0.00 0.45 0.00 0.00 54.58 52.39 1a6r n ASN 317 Cb 0.34 -0.53 0.06 0.00 1.23 0.00 0.00 39.78 40.88 1a6r n ASN 317 CO 0.00 0.00 0.00 -3.20 -3.05 0.00 0.00 177.26 171.01 1a6r n ASN 318 N 0.46 -6.08 -4.06 1.20 5.15 -0.37 -5.03 115.26 106.54 1a6r n ASN 318 Ca 0.16 -0.43 -0.25 0.00 -0.60 0.00 0.00 54.58 53.46 1a6r n ASN 318 Cb 0.69 -4.77 -0.16 0.00 -0.53 0.00 0.00 39.78 35.01 1a6r n ASN 318 CO 0.00 0.00 0.00 -0.54 1.40 0.00 0.00 177.26 178.12 1a6r s LYS 319 N -6.04 1.72 0.94 1.20 1.02 -0.72 -4.81 119.74 113.04 1a6r s LYS 319 Ca 0.47 -0.47 -0.12 0.00 0.02 0.00 0.00 55.97 55.86 1a6r s LYS 319 Cb -0.21 -1.44 0.15 0.00 -0.52 0.00 0.00 37.83 35.82 1a6r s LYS 319 CO 0.58 0.09 1.12 0.00 -0.92 0.00 0.00 175.35 176.21 1a6r s ALA 320 N 0.47 1.47 -0.08 5.17 0.00 -1.26 -3.20 121.76 124.32 1a6r s ALA 320 Ca -0.11 -0.43 -0.01 0.00 0.00 0.00 0.00 51.96 51.41 1a6r s ALA 320 Cb -0.14 -3.07 0.03 0.00 0.00 0.00 0.00 23.12 19.93 1a6r s ALA 320 CO 0.03 -2.48 -0.02 0.08 0.00 0.00 0.00 175.76 173.38 1a6r s VAL 321 N -3.14 0.53 0.23 0.00 1.01 -0.19 -4.92 120.40 113.92 1a6r s VAL 321 Ca 0.64 0.01 -0.30 0.00 0.00 0.00 0.00 61.98 62.34 1a6r s VAL 321 Cb -0.16 -0.65 -0.09 0.00 0.00 0.00 0.00 36.38 35.48 1a6r s VAL 321 CO 0.55 0.28 1.14 0.12 0.00 0.00 0.00 175.10 177.19 1a6r s PHE 322 N 1.84 3.51 0.02 5.22 2.19 -1.26 -0.11 117.98 129.39 1a6r s PHE 322 Ca 0.04 1.58 -0.14 0.00 0.33 0.00 0.00 56.93 58.73 1a6r s PHE 322 Cb -0.12 -3.35 0.02 0.00 -1.31 0.00 0.00 43.02 38.26 1a6r s PHE 322 CO -0.06 -0.83 0.31 -0.59 1.83 0.00 0.00 175.22 175.89 1a6r s PHE 323 N -0.59 -0.14 0.05 10.12 -0.71 -0.61 -1.97 117.98 124.12 1a6r s PHE 323 Ca 0.48 0.09 0.05 0.00 -1.04 0.00 0.00 56.93 56.52 1a6r s PHE 323 Cb -0.32 0.10 -0.04 0.00 -1.21 0.00 0.00 43.02 41.55 1a6r s PHE 323 CO 0.39 -0.46 -0.10 0.20 -1.34 0.00 0.00 175.22 173.91 1a6r s GLY 324 N -1.78 1.73 0.23 1.99 0.00 -0.17 -1.30 107.32 108.03 1a6r s GLY 324 Ca -0.08 -1.14 -0.13 0.00 0.00 0.00 0.00 44.72 43.37 1a6r s GLY 324 CO -0.00 -1.05 0.47 -1.35 0.00 0.00 0.00 173.10 171.17 1a6r s SER 325 N -1.72 -0.10 -1.26 1.64 1.04 0.04 -1.34 113.70 112.00 1a6r s SER 325 Ca 0.18 -0.86 -0.14 0.00 0.48 0.00 0.00 55.95 55.62 1a6r s SER 325 Cb -0.11 0.57 0.14 0.00 0.10 0.00 0.00 66.02 66.72 1a6r s SER 325 CO 0.10 -1.11 1.63 1.57 0.98 0.00 0.00 173.24 176.40 1a6r n HIS 326 N -0.36 4.52 -2.85 5.02 -0.00 -0.02 -0.81 115.22 120.73 1a6r n HIS 326 Ca -0.03 -3.13 -0.40 0.00 -0.00 0.00 0.00 57.72 54.16 1a6r n HIS 326 Cb 0.62 -2.29 -0.06 0.00 -0.00 0.00 0.00 29.99 28.26 1a6r n HIS 326 CO 0.00 0.00 0.00 0.99 -0.00 0.00 0.00 176.34 177.33 1a6r s THR 327 N 2.17 4.29 -0.62 3.57 2.01 -1.26 -1.24 115.64 124.55 1a6r s THR 327 Ca 0.45 1.92 0.01 0.00 0.31 0.00 0.00 61.69 64.38 1a6r s THR 327 Cb 0.02 -4.25 0.41 0.00 0.01 0.00 0.00 72.50 68.69 1a6r s THR 327 CO 0.02 0.47 1.73 -0.81 -0.69 0.00 0.00 174.62 175.33 1a6r n PRO 328 N 1.83 3.00 -1.80 4.92 -0.04 -1.26 -4.80 135.00 136.86 1a6r n PRO 328 Ca -0.03 -3.73 -0.42 0.00 -0.04 0.00 0.00 63.50 59.28 1a6r n PRO 328 Cb 0.48 -2.27 -0.03 0.00 -0.04 0.00 0.00 33.50 31.64 1a6r n PRO 328 CO 0.00 0.00 0.00 0.15 -0.04 0.00 0.00 175.50 175.61 1a6r s LYS 329 N -3.82 4.16 -1.64 0.54 -0.14 -0.38 -2.85 119.74 115.62 1a6r s LYS 329 Ca 0.55 2.52 -0.15 0.00 -1.36 0.00 0.00 55.97 57.53 1a6r s LYS 329 Cb 0.45 -3.24 0.12 0.00 -1.68 0.00 0.00 37.83 33.48 1a6r s LYS 329 CO -0.17 -0.73 0.76 1.19 -0.76 0.00 0.00 175.35 175.64 1a6r n PHE 330 N 4.46 -1.81 -4.40 3.18 3.72 -1.26 -4.88 117.46 116.47 1a6r n PHE 330 Ca 0.16 0.81 -0.31 0.00 -0.05 0.00 0.00 57.45 58.06 1a6r n PHE 330 Cb 0.37 -3.22 -0.16 0.00 -0.94 0.00 0.00 39.48 35.53 1a6r n PHE 330 CO 0.00 0.00 0.00 1.41 -0.05 0.00 0.00 176.76 178.12 1a6r s MET 331 N -6.83 2.59 -0.48 -1.08 1.75 -1.13 -1.34 119.30 112.77 1a6r s MET 331 Ca 0.62 -0.69 -0.14 0.00 -1.25 0.00 0.00 55.69 54.23 1a6r s MET 331 Cb -0.33 -2.19 0.10 0.00 2.84 0.00 0.00 34.83 35.24 1a6r s MET 331 CO 0.91 -0.10 0.40 0.34 -0.65 0.00 0.00 175.02 175.92 1a6r s ASP 332 N 1.07 6.03 0.31 1.11 2.15 0.14 -4.94 116.67 122.53 1a6r s ASP 332 Ca -0.03 -1.56 0.04 0.00 0.43 0.00 0.00 52.55 51.43 1a6r s ASP 332 Cb -0.14 -2.14 0.51 0.00 -0.30 0.00 0.00 42.92 40.84 1a6r s ASP 332 CO -0.05 -0.70 1.79 0.11 -0.17 0.00 0.00 175.17 176.15 1a6r h LYS 333 N 8.70 0.45 -0.41 4.34 1.57 -1.94 0.91 116.57 130.20 1a6r h LYS 333 Ca -0.27 -0.14 0.04 0.00 -1.87 0.00 0.00 60.65 58.41 1a6r h LYS 333 Cb 1.10 -0.04 -0.04 0.00 0.08 0.00 0.00 32.23 33.32 1a6r h LYS 333 CO 0.90 0.62 0.16 -0.22 -0.57 0.00 0.00 179.45 180.34 1a6r h LYS 334 N 0.41 0.33 0.00 3.15 3.64 -1.92 0.25 116.57 122.43 1a6r h LYS 334 Ca 0.07 -0.02 -0.10 0.00 -1.27 0.00 0.00 60.65 59.33 1a6r h LYS 334 Cb 0.55 -0.07 -0.02 0.00 -0.41 0.00 0.00 32.23 32.27 1a6r h LYS 334 CO 0.04 0.22 -1.72 0.25 -2.27 0.00 0.00 179.45 175.96 1a6r n THR 335 N -4.98 0.65 -1.18 1.00 -2.24 -1.17 -4.37 114.28 101.99 1a6r n THR 335 Ca 0.02 -0.62 0.00 0.00 -2.27 0.00 0.00 64.05 61.19 1a6r n THR 335 Cb 0.14 -0.32 0.00 0.00 -2.10 0.00 0.00 70.33 68.04 1a6r n THR 335 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 1a6r n GLY 336 N 1.36 0.66 3.75 3.38 0.00 0.31 -3.71 105.19 110.94 1a6r n GLY 336 Ca -0.09 -0.74 -0.35 0.00 0.00 0.00 0.00 46.02 44.83 1a6r n GLY 336 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1a6r s VAL 337 N -2.00 5.25 -0.37 1.61 1.01 -0.74 -0.67 120.40 124.49 1a6r s VAL 337 Ca 0.00 0.13 0.00 0.00 0.00 0.00 0.00 61.98 62.11 1a6r s VAL 337 Cb 0.00 -3.35 0.10 0.00 0.00 0.00 0.00 36.38 33.13 1a6r s VAL 337 CO 0.00 0.51 0.11 -0.04 0.00 0.00 0.00 175.10 175.68 1a6r s MET 338 N -0.11 1.83 -0.16 2.72 -1.94 0.28 0.25 119.30 122.17 1a6r s MET 338 Ca 0.09 -1.78 -0.06 0.00 -1.71 0.00 0.00 55.69 52.23 1a6r s MET 338 Cb -0.12 -3.37 0.07 0.00 2.01 0.00 0.00 34.83 33.43 1a6r s MET 338 CO 0.00 -0.96 0.33 0.34 -0.01 0.00 0.00 175.02 174.72 1a6r s ASP 339 N 1.37 0.08 0.54 3.03 2.15 -0.45 -1.90 116.67 121.49 1a6r s ASP 339 Ca 0.08 0.75 0.22 0.00 0.43 0.00 0.00 52.55 54.02 1a6r s ASP 339 Cb -0.21 0.94 1.41 0.00 -0.30 0.00 0.00 42.92 44.76 1a6r s ASP 339 CO -0.06 -0.23 2.11 0.40 -0.17 0.00 0.00 175.17 177.22 1a6r h ILE 340 N 6.21 0.81 -0.43 4.11 2.04 -1.94 -2.52 117.51 125.79 1a6r h ILE 340 Ca -0.16 0.00 0.00 0.00 1.00 0.00 0.00 64.86 65.70 1a6r h ILE 340 Cb 1.11 0.90 0.00 0.00 -0.74 0.00 0.00 36.82 38.09 1a6r h ILE 340 CO 0.14 0.00 0.00 -0.62 0.00 0.00 0.00 178.15 177.67 1a6r n GLU 341 N -4.33 3.07 0.26 2.37 1.02 -1.26 -4.62 120.64 117.16 1a6r n GLU 341 Ca 0.01 -2.48 0.12 0.00 -0.02 0.00 0.00 57.16 54.80 1a6r n GLU 341 Cb 0.28 -1.57 0.72 0.00 -0.02 0.00 0.00 31.44 30.85 1a6r n GLU 341 CO 0.00 0.00 0.00 1.25 1.18 0.00 0.00 177.13 179.56 1a6r h LEU 342 N 2.64 0.00 -9.17 -4.62 5.85 -1.82 -3.42 115.31 104.76 1a6r h LEU 342 Ca 0.00 0.00 -0.67 0.00 0.84 0.00 0.00 57.88 58.05 1a6r h LEU 342 Cb 1.08 0.00 -0.17 0.00 0.37 0.00 0.00 40.66 41.94 1a6r h LEU 342 CO 0.10 0.12 -0.64 0.26 -0.34 0.00 0.00 178.44 177.94 1a6r s TRP 343 N -4.23 3.10 -1.47 1.25 0.51 -1.26 -0.73 118.94 116.12 1a6r s TRP 343 Ca -0.03 0.08 -0.09 0.00 -2.12 0.00 0.00 56.10 53.94 1a6r s TRP 343 Cb 0.13 -1.82 -0.06 0.00 -0.81 0.00 0.00 33.47 30.92 1a6r s TRP 343 CO 0.59 0.34 2.89 -1.71 -0.51 0.00 0.00 176.95 178.55 1a6r n ASN 344 N 2.46 8.43 0.02 2.95 2.85 0.10 -4.61 115.26 127.45 1a6r n ASN 344 Ca -0.18 -2.69 -0.01 0.00 -0.11 0.00 0.00 54.58 51.59 1a6r n ASN 344 Cb 0.53 -1.51 0.28 0.00 1.24 0.00 0.00 39.78 40.33 1a6r n ASN 344 CO 0.00 0.00 0.00 1.88 -2.11 0.00 0.00 177.26 177.03 1a6r h TYR 345 N 4.79 0.51 0.00 1.20 0.05 -1.85 -2.50 116.97 119.17 1a6r h TYR 345 Ca 0.80 -0.06 -0.00 0.00 0.05 0.00 0.00 58.73 59.52 1a6r h TYR 345 Cb 0.35 -0.14 -0.00 0.00 1.01 0.00 0.00 36.73 37.95 1a6r h TYR 345 CO 1.82 0.55 -0.01 -1.35 -1.05 0.00 0.00 178.16 178.13 1a6r h PRO 346 N 0.46 0.00 0.00 4.88 0.11 -1.81 -0.97 132.00 134.66 1a6r h PRO 346 Ca 0.09 0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.20 1a6r h PRO 346 Cb 0.41 0.00 0.00 0.00 0.11 0.00 0.00 31.00 31.52 1a6r h PRO 346 CO 0.02 0.01 0.00 0.00 -0.21 0.00 0.00 178.00 177.82 1a6r h ALA 347 N 1.99 1.00 -0.40 -0.75 0.00 -1.78 0.19 119.26 119.51 1a6r h ALA 347 Ca -0.00 0.00 -0.06 0.00 0.00 0.00 0.00 54.91 54.85 1a6r h ALA 347 Cb 0.02 0.00 -0.04 0.00 0.00 0.00 0.00 17.79 17.77 1a6r h ALA 347 CO 0.00 0.00 0.04 0.44 0.00 0.00 0.00 179.25 179.73 1a6r n ILE 348 N -2.83 2.51 -2.67 0.00 -5.35 -0.47 -4.94 119.36 105.60 1a6r n ILE 348 Ca -0.01 -1.87 -0.20 0.00 -0.27 0.00 0.00 62.75 60.40 1a6r n ILE 348 Cb 0.18 -0.29 0.01 0.00 -1.74 0.00 0.00 39.64 37.81 1a6r n ILE 348 CO 0.00 0.00 0.00 0.61 -1.76 0.00 0.00 176.55 175.40 1a6r n GLY 349 N -0.36 -0.42 3.20 3.28 0.00 0.67 -4.98 105.19 106.59 1a6r n GLY 349 Ca 0.27 -0.01 -0.37 0.00 0.00 0.00 0.00 46.02 45.91 1a6r n GLY 349 CO 0.00 0.00 0.00 -0.47 0.00 0.00 0.00 173.32 172.85 1a6r s TYR 350 N -3.04 3.39 0.13 1.61 6.14 -0.60 -4.99 117.35 119.98 1a6r s TYR 350 Ca 0.15 -1.87 0.10 0.00 0.64 0.00 0.00 57.07 56.08 1a6r s TYR 350 Cb -0.06 -2.74 -0.04 0.00 0.42 0.00 0.00 41.96 39.53 1a6r s TYR 350 CO 0.18 -0.86 -0.24 -0.80 0.64 0.00 0.00 175.55 174.47 1a6r s ASN 351 N 1.72 3.01 -0.44 4.32 0.01 -1.26 -3.40 114.94 118.89 1a6r s ASN 351 Ca 0.02 -0.75 0.03 0.00 -0.71 0.00 0.00 52.86 51.44 1a6r s ASN 351 Cb -0.22 -0.19 0.13 0.00 0.41 0.00 0.00 41.25 41.38 1a6r s ASN 351 CO -0.01 0.11 0.21 -0.76 -1.51 0.00 0.00 177.10 175.15 1a6r s LEU 352 N -2.14 3.31 0.48 0.60 1.43 -1.26 -4.98 118.68 116.12 1a6r s LEU 352 Ca 0.12 -2.58 0.28 0.00 -1.03 0.00 0.00 54.13 50.93 1a6r s LEU 352 Cb -0.09 -1.25 0.87 0.00 0.03 0.00 0.00 46.19 45.75 1a6r s LEU 352 CO 0.06 -0.28 1.80 1.55 0.23 0.00 0.00 176.35 179.71 1a6r h PRO 353 N 6.90 0.00 -6.40 1.29 0.13 -2.06 -3.46 132.00 128.40 1a6r h PRO 353 Ca -0.05 0.00 -0.60 0.00 -0.87 0.00 0.00 66.00 64.48 1a6r h PRO 353 Cb 0.94 0.00 0.04 0.00 0.13 0.00 0.00 31.00 32.11 1a6r h PRO 353 CO 0.54 0.00 0.90 0.94 -0.23 0.00 0.00 178.00 180.16 1a6r n GLN 354 N -3.04 2.11 -2.04 0.86 7.27 -1.26 -4.95 117.38 116.32 1a6r n GLN 354 Ca 0.02 0.77 -0.29 0.00 0.07 0.00 0.00 57.00 57.57 1a6r n GLN 354 Cb 0.41 -2.56 0.05 0.00 2.41 0.00 0.00 30.24 30.55 1a6r n GLN 354 CO 0.00 0.00 0.00 -0.65 0.07 0.00 0.00 177.06 176.48 1a6r s GLN 355 N 2.16 2.69 0.16 3.69 -1.52 -1.26 -4.81 119.66 120.77 1a6r s GLN 355 Ca 0.85 0.24 -0.21 0.00 -1.95 0.00 0.00 55.36 54.28 1a6r s GLN 355 Cb -0.70 -2.09 0.07 0.00 -0.22 0.00 0.00 33.01 30.07 1a6r s GLN 355 CO 0.44 -1.05 1.62 -0.22 -0.25 0.00 0.00 175.29 175.83 1a6r h LYS 356 N -0.59 -0.20 -0.85 2.91 3.64 -1.92 0.16 116.57 119.71 1a6r h LYS 356 Ca -0.45 0.01 0.09 0.00 -1.27 0.00 0.00 60.65 59.03 1a6r h LYS 356 Cb 1.27 0.05 -0.07 0.00 -0.41 0.00 0.00 32.23 33.06 1a6r h LYS 356 CO 0.63 -0.14 0.50 0.00 -2.27 0.00 0.00 179.45 178.18 1a6r h ALA 357 N 0.90 1.22 -0.19 5.00 0.00 -1.95 -1.30 119.26 122.95 1a6r h ALA 357 Ca 0.17 0.02 -0.16 0.00 0.00 0.00 0.00 54.91 54.95 1a6r h ALA 357 Cb 0.48 -0.16 -0.01 0.00 0.00 0.00 0.00 17.79 18.10 1a6r h ALA 357 CO -0.47 0.15 -0.54 0.77 0.00 0.00 0.00 179.25 179.16 1a6r h SER 358 N 0.85 0.60 -0.91 0.00 0.02 -1.76 -1.56 113.55 110.80 1a6r h SER 358 Ca 0.41 -0.32 -0.01 0.00 -0.84 0.00 0.00 61.79 61.03 1a6r h SER 358 Cb 0.34 -0.17 -0.04 0.00 0.14 0.00 0.00 62.40 62.67 1a6r h SER 358 CO -0.24 1.02 0.51 0.03 -1.14 0.00 0.00 176.83 177.02 1a6r h ARG 359 N 0.42 1.26 0.09 3.45 3.08 0.08 0.25 114.38 123.02 1a6r h ARG 359 Ca 0.01 -0.14 -0.00 0.00 0.07 0.00 0.00 59.98 59.92 1a6r h ARG 359 Cb 1.07 -0.25 0.00 0.00 0.08 0.00 0.00 29.97 30.87 1a6r h ARG 359 CO 0.10 0.91 -0.04 0.82 -1.07 0.00 0.00 179.97 180.69 1a6r h ILE 360 N 1.27 1.08 -0.69 2.04 2.04 -1.20 0.12 117.51 122.17 1a6r h ILE 360 Ca 0.32 -0.68 0.05 0.00 1.00 0.00 0.00 64.86 65.55 1a6r h ILE 360 Cb 0.01 1.52 -0.05 0.00 -0.74 0.00 0.00 36.82 37.55 1a6r h ILE 360 CO -0.05 0.17 0.41 0.03 0.00 0.00 0.00 178.15 178.70 1a6r h ARG 361 N -0.44 0.74 -0.89 2.37 3.08 -1.03 -2.99 114.38 115.22 1a6r h ARG 361 Ca -0.01 -0.04 -0.00 0.00 0.07 0.00 0.00 59.98 59.99 1a6r h ARG 361 Cb 0.37 -0.17 -0.00 0.00 0.08 0.00 0.00 29.97 30.25 1a6r h ARG 361 CO 0.02 0.49 0.00 0.66 -1.07 0.00 0.00 179.97 180.07 1a6r n TYR 362 N -4.74 0.55 -1.37 3.04 4.02 0.85 -4.91 117.16 114.61 1a6r n TYR 362 Ca 0.08 -0.19 -0.13 0.00 -0.01 0.00 0.00 57.90 57.65 1a6r n TYR 362 Cb 0.15 -0.21 -0.05 0.00 -0.02 0.00 0.00 39.34 39.20 1a6r n TYR 362 CO 0.00 0.00 0.00 1.58 -1.01 0.00 0.00 176.86 177.43 1a6r n HIS 363 N 0.16 0.00 -0.07 -0.72 -0.00 -1.13 -4.89 115.22 108.58 1a6r n HIS 363 Ca 0.07 0.00 -0.08 0.00 0.46 0.00 0.00 57.72 58.17 1a6r n HIS 363 Cb 0.50 -2.32 -0.15 0.00 -0.12 0.00 0.00 29.99 27.90 1a6r n HIS 363 CO 0.00 0.00 0.00 -1.91 0.46 0.00 0.00 176.34 174.89 1a6r n GLU 364 N -2.57 0.67 -3.80 1.57 4.07 0.34 -4.99 120.64 115.92 1a6r n GLU 364 Ca -0.13 0.08 -0.12 0.00 -0.06 0.00 0.00 57.16 56.93 1a6r n GLU 364 Cb 0.42 -1.61 -0.10 0.00 -0.06 0.00 0.00 31.44 30.09 1a6r n GLU 364 CO 0.00 0.00 0.00 0.45 -0.06 0.00 0.00 177.13 177.52 1a6r s SER 365 N -5.62 -0.15 0.06 4.31 0.15 -0.76 -4.98 113.70 106.71 1a6r s SER 365 Ca -0.08 0.13 -0.28 0.00 0.70 0.00 0.00 55.95 56.42 1a6r s SER 365 Cb 0.07 0.35 0.09 0.00 -1.71 0.00 0.00 66.02 64.82 1a6r s SER 365 CO 0.83 -0.32 1.08 -1.48 1.20 0.00 0.00 173.24 174.55 1a6r s LEU 366 N -0.91 -0.15 0.26 3.45 2.34 -1.26 -4.03 118.68 118.38 1a6r s LEU 366 Ca -0.10 -0.25 -0.29 0.00 0.06 0.00 0.00 54.13 53.54 1a6r s LEU 366 Cb -0.05 1.84 -0.09 0.00 -0.56 0.00 0.00 46.19 47.32 1a6r s LEU 366 CO 0.02 -0.63 1.21 -0.32 -1.06 0.00 0.00 176.35 175.57 1a6r s MET 367 N -2.93 4.49 0.00 1.48 -2.45 -1.26 -3.99 119.30 114.65 1a6r s MET 367 Ca 0.12 1.97 0.00 0.00 -1.25 0.00 0.00 55.69 56.54 1a6r s MET 367 Cb 0.01 -3.17 0.00 0.00 1.25 0.00 0.00 34.83 32.92 1a6r s MET 367 CO -0.01 -0.03 0.04 0.25 1.05 0.00 0.00 175.02 176.31 1a6r n THR 368 N 1.55 0.00 -3.53 10.11 -2.24 0.01 -4.45 114.28 115.73 1a6r n THR 368 Ca 0.01 -0.09 -0.18 0.00 -2.27 0.00 0.00 64.05 61.53 1a6r n THR 368 Cb 0.44 1.32 -0.06 0.00 -2.10 0.00 0.00 70.33 69.93 1a6r n THR 368 CO 0.00 0.00 0.00 -2.28 -0.57 0.00 0.00 175.07 172.22 1a6r s HIS 369 N -0.11 -0.64 -0.04 4.78 2.46 -0.97 -0.54 115.29 120.23 1a6r s HIS 369 Ca 0.00 1.07 0.06 0.00 0.47 0.00 0.00 55.06 56.67 1a6r s HIS 369 Cb 0.00 0.40 -0.01 0.00 -0.13 0.00 0.00 32.58 32.84 1a6r s HIS 369 CO 0.00 -0.61 -0.23 0.00 -2.47 0.00 0.00 174.74 171.43 1a6r s ALA 370 N -1.28 1.98 0.27 1.58 0.00 -1.26 -0.78 121.76 122.27 1a6r s ALA 370 Ca -0.11 -0.97 0.06 0.00 0.00 0.00 0.00 51.96 50.94 1a6r s ALA 370 Cb -0.00 -0.58 -0.02 0.00 0.00 0.00 0.00 23.12 22.51 1a6r s ALA 370 CO 0.09 0.41 0.24 -1.33 0.00 0.00 0.00 175.76 175.17 1a6r n MET 371 N 2.84 0.35 -4.85 0.00 2.81 -0.42 -4.54 117.12 113.32 1a6r n MET 371 Ca -0.17 -2.71 -0.30 0.00 -1.81 0.00 0.00 57.70 52.71 1a6r n MET 371 Cb 0.52 2.25 -0.17 0.00 -0.71 0.00 0.00 33.22 35.11 1a6r n MET 371 CO 0.00 0.00 0.00 -1.17 1.51 0.00 0.00 175.97 176.31 1a6r s LEU 372 N 0.00 1.93 -0.25 4.03 2.96 -0.82 -1.58 118.68 124.95 1a6r s LEU 372 Ca 0.32 -0.49 -0.21 0.00 -0.22 0.00 0.00 54.13 53.53 1a6r s LEU 372 Cb 0.01 -1.24 -0.02 0.00 0.50 0.00 0.00 46.19 45.45 1a6r s LEU 372 CO 0.23 0.09 0.66 -0.63 -1.32 0.00 0.00 176.35 175.38 1a6r s ILE 373 N 0.62 4.96 -0.91 6.68 1.01 0.84 0.44 121.20 134.83 1a6r s ILE 373 Ca -0.14 1.19 0.08 0.00 0.00 0.00 0.00 60.65 61.79 1a6r s ILE 373 Cb -0.17 -3.96 0.13 0.00 0.01 0.00 0.00 42.46 38.47 1a6r s ILE 373 CO 0.04 0.01 0.93 0.35 0.00 0.00 0.00 174.94 176.26 1a6r n THR 374 N 5.21 0.38 0.00 2.92 -2.24 -0.09 -1.02 114.28 119.43 1a6r n THR 374 Ca 0.00 -0.69 0.00 0.00 -2.27 0.00 0.00 64.05 61.09 1a6r n THR 374 Cb 0.49 0.92 0.00 0.00 -2.10 0.00 0.00 70.33 69.64 1a6r n THR 374 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 1a6r n GLY 375 N 0.39 0.28 3.83 3.38 0.00 -1.21 -2.17 105.19 109.68 1a6r n GLY 375 Ca 0.06 -0.85 -0.06 0.00 0.00 0.00 0.00 46.02 45.17 1a6r n GLY 375 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1a6r s HIS 377 N -3.38 2.12 -0.32 0.00 2.46 -0.60 -1.55 115.29 114.03 1a6r s HIS 377 Ca 0.13 -1.42 -0.18 0.00 0.47 0.00 0.00 55.06 54.06 1a6r s HIS 377 Cb -0.04 -1.50 -0.01 0.00 -0.13 0.00 0.00 32.58 30.90 1a6r s HIS 377 CO 0.06 -0.70 0.51 0.08 -2.47 0.00 0.00 174.74 172.22 1a6r s VAL 378 N 1.49 5.04 0.01 0.89 1.01 -1.26 -0.67 120.40 126.91 1a6r s VAL 378 Ca -0.01 0.52 -0.30 0.00 0.00 0.00 0.00 61.98 62.19 1a6r s VAL 378 Cb -0.16 -3.91 -0.08 0.00 0.00 0.00 0.00 36.38 32.22 1a6r s VAL 378 CO -0.08 -0.11 1.98 -0.62 0.00 0.00 0.00 175.10 176.27 1a6r s ASP 379 N 1.69 6.37 0.32 3.32 2.15 0.20 -4.80 116.67 125.93 1a6r s ASP 379 Ca 0.19 2.59 0.09 0.00 0.43 0.00 0.00 52.55 55.85 1a6r s ASP 379 Cb -0.15 -2.53 0.87 0.00 -0.30 0.00 0.00 42.92 40.81 1a6r s ASP 379 CO 0.12 -1.13 1.74 -0.33 -0.17 0.00 0.00 175.17 175.40 1a6r h GLU 380 N 10.94 0.59 0.00 4.34 5.08 -1.95 1.43 114.58 134.99 1a6r h GLU 380 Ca -0.48 -0.04 -0.00 0.00 -1.00 0.00 0.00 59.36 57.84 1a6r h GLU 380 Cb 1.24 -0.13 0.00 0.00 0.50 0.00 0.00 28.75 30.35 1a6r h GLU 380 CO 0.94 0.39 -0.00 1.15 -1.00 0.00 0.00 179.01 180.49 1a6r h THR 381 N 0.60 1.68 0.00 1.13 2.02 -1.96 -3.33 112.91 113.06 1a6r h THR 381 Ca 0.63 -2.10 -0.07 0.00 0.77 0.00 0.00 66.41 65.64 1a6r h THR 381 Cb 1.19 3.10 -0.01 0.00 -1.74 0.00 0.00 68.15 70.69 1a6r h THR 381 CO -0.46 0.54 -0.37 0.77 0.37 0.00 0.00 175.52 176.37 1a6r h SER 382 N -0.91 0.00 -2.39 4.18 4.64 -1.91 -3.47 113.55 113.69 1a6r h SER 382 Ca -0.00 0.00 -0.35 0.00 -0.47 0.00 0.00 61.79 60.97 1a6r h SER 382 Cb 0.89 0.00 -0.02 0.00 -0.31 0.00 0.00 62.40 62.95 1a6r h SER 382 CO 0.00 0.34 -0.44 1.17 -0.87 0.00 0.00 176.83 177.03 1a6r n LYS 383 N -3.17 -1.39 -4.27 4.77 4.81 0.49 -4.99 118.16 114.40 1a6r n LYS 383 Ca 0.02 0.86 -0.22 0.00 -0.87 0.00 0.00 58.31 58.10 1a6r n LYS 383 Cb 0.67 -5.32 -0.12 0.00 0.02 0.00 0.00 35.03 30.28 1a6r n LYS 383 CO 0.00 0.00 0.00 -0.51 1.17 0.00 0.00 177.40 178.06 1a6r s LEU 384 N -4.97 2.32 0.28 3.14 1.43 -1.22 -4.80 118.68 114.86 1a6r s LEU 384 Ca 0.00 -0.71 -0.29 0.00 -1.03 0.00 0.00 54.13 52.10 1a6r s LEU 384 Cb 0.00 -0.80 -0.10 0.00 0.03 0.00 0.00 46.19 45.32 1a6r s LEU 384 CO 0.00 0.01 1.29 -2.16 0.23 0.00 0.00 176.35 175.72 1a6r s PRO 385 N -2.06 4.40 -0.16 1.29 0.04 -1.26 0.61 135.00 137.87 1a6r s PRO 385 Ca 0.07 2.11 0.04 0.00 0.04 0.00 0.00 61.00 63.26 1a6r s PRO 385 Cb -0.09 -3.13 -0.13 0.00 0.04 0.00 0.00 34.50 31.19 1a6r s PRO 385 CO 0.04 -0.16 -0.10 1.28 0.04 0.00 0.00 177.00 178.10 1a6r n LEU 386 N 1.53 2.17 -3.86 -3.56 4.77 0.16 -4.73 117.00 113.48 1a6r n LEU 386 Ca 0.02 -0.07 -0.09 0.00 -0.03 0.00 0.00 56.01 55.84 1a6r n LEU 386 Cb 0.42 -0.34 -0.07 0.00 -2.33 0.00 0.00 43.42 41.10 1a6r n LEU 386 CO 0.58 0.66 -0.05 0.00 -1.33 0.00 0.00 177.39 177.25 1a6r s ARG 387 N -2.34 0.93 0.03 3.23 1.70 -1.25 -0.95 118.95 120.30 1a6r s ARG 387 Ca -0.19 -0.98 0.07 0.00 -0.47 0.00 0.00 55.73 54.16 1a6r s ARG 387 Cb 0.05 0.36 -0.02 0.00 -0.57 0.00 0.00 34.95 34.77 1a6r s ARG 387 CO 0.44 -0.32 -0.21 0.71 -1.08 0.00 0.00 175.30 174.84 1a6r s TYR 388 N -3.88 1.84 -0.27 5.89 2.02 0.57 -1.55 117.35 121.97 1a6r s TYR 388 Ca 0.07 -0.37 -0.19 0.00 -0.37 0.00 0.00 57.07 56.22 1a6r s TYR 388 Cb 0.04 -1.12 -0.02 0.00 -0.40 0.00 0.00 41.96 40.46 1a6r s TYR 388 CO -0.09 0.06 0.56 0.50 -1.57 0.00 0.00 175.55 175.01 1a6r s ARG 389 N -0.98 4.04 -0.14 -0.62 3.52 0.94 -0.96 118.95 124.76 1a6r s ARG 389 Ca 0.08 0.36 -0.02 0.00 -0.13 0.00 0.00 55.73 56.02 1a6r s ARG 389 Cb -0.09 -3.67 -0.02 0.00 -1.56 0.00 0.00 34.95 29.62 1a6r s ARG 389 CO 0.01 -0.41 -0.09 0.08 -0.81 0.00 0.00 175.30 174.08 1a6r s VAL 390 N 2.41 3.39 -0.29 7.11 1.01 0.62 -0.91 120.40 133.75 1a6r s VAL 390 Ca 0.23 -0.54 -0.14 0.00 0.00 0.00 0.00 61.98 61.53 1a6r s VAL 390 Cb -0.15 -2.45 -0.03 0.00 0.00 0.00 0.00 36.38 33.74 1a6r s VAL 390 CO 0.09 0.51 0.35 -0.70 0.00 0.00 0.00 175.10 175.35 1a6r s GLU 391 N 0.39 3.92 0.51 2.72 2.12 0.17 -0.31 118.70 128.21 1a6r s GLU 391 Ca -0.08 -0.09 0.09 0.00 0.36 0.00 0.00 54.97 55.25 1a6r s GLU 391 Cb -0.15 -3.69 0.05 0.00 0.26 0.00 0.00 34.13 30.60 1a6r s GLU 391 CO 0.04 -0.32 0.69 1.21 -0.54 0.00 0.00 175.26 176.34 1a6r s ASN 392 N 1.68 5.33 -0.37 -1.70 3.84 -1.15 -1.94 114.94 120.63 1a6r s ASN 392 Ca 0.13 -0.67 0.08 0.00 0.21 0.00 0.00 52.86 52.61 1a6r s ASN 392 Cb -0.16 -0.12 0.44 0.00 -0.55 0.00 0.00 41.25 40.87 1a6r s ASN 392 CO 0.10 -1.08 1.12 -1.54 -2.79 0.00 0.00 177.10 172.92 1a6r n SER 393 N -2.06 4.34 -0.67 -4.21 3.41 -1.26 -4.56 113.62 108.61 1a6r n SER 393 Ca 0.12 -3.55 0.07 0.00 -0.26 0.00 0.00 58.87 55.25 1a6r n SER 393 Cb 0.61 -0.43 0.21 0.00 -0.26 0.00 0.00 64.21 64.34 1a6r n SER 393 CO 0.00 0.00 0.00 0.79 -0.16 0.00 0.00 175.04 175.67 1a6r n TRP 394 N -0.53 0.63 0.00 7.33 8.01 -1.15 -1.03 117.44 130.70 1a6r n TRP 394 Ca 0.36 -1.04 0.00 0.00 -1.31 0.00 0.00 57.50 55.51 1a6r n TRP 394 Cb 0.79 -0.29 0.00 0.00 -2.01 0.00 0.00 31.31 29.80 1a6r n TRP 394 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 177.69 177.09 1a6r n GLY 395 N -0.91 0.27 0.00 6.99 0.00 -0.38 -4.34 105.19 106.82 1a6r n GLY 395 Ca 0.21 -1.72 0.12 0.00 0.00 0.00 0.00 46.02 44.63 1a6r n GLY 395 CO 0.00 0.00 0.00 0.58 0.00 0.00 0.00 173.32 173.90 1a6r n LYS 396 N 0.38 0.71 0.00 1.61 0.00 -1.26 -2.59 118.16 117.01 1a6r n LYS 396 Ca 0.00 0.01 0.11 0.00 -0.00 0.00 0.00 58.31 58.43 1a6r n LYS 396 Cb 0.00 -1.50 0.05 0.00 -0.00 0.00 0.00 35.03 33.58 1a6r n LYS 396 CO 0.00 0.00 0.00 -0.25 0.00 0.00 0.00 177.40 177.15 1a6r n ASP 397 N -1.04 2.48 -4.81 -5.58 8.00 -1.26 -2.52 116.55 111.83 1a6r n ASP 397 Ca 0.17 -1.74 -0.37 0.00 0.71 0.00 0.00 54.79 53.56 1a6r n ASP 397 Cb 0.10 0.20 -0.06 0.00 -0.02 0.00 0.00 41.12 41.33 1a6r n ASP 397 CO 0.00 0.00 0.00 -0.55 -0.39 0.00 0.00 177.20 176.26 1a6r s SER 398 N -2.06 7.11 0.91 -2.24 0.15 -1.07 -4.80 113.70 111.70 1a6r s SER 398 Ca 0.22 1.42 0.00 0.00 0.70 0.00 0.00 55.95 58.29 1a6r s SER 398 Cb 0.18 -2.42 0.00 0.00 -1.71 0.00 0.00 66.02 62.07 1a6r s SER 398 CO 0.38 0.11 0.00 0.61 1.20 0.00 0.00 173.24 175.54 1a6r n GLY 399 N 1.05 2.61 3.23 9.45 0.00 0.85 0.48 105.19 122.86 1a6r n GLY 399 Ca -0.04 -0.39 -0.42 0.00 0.00 0.00 0.00 46.02 45.16 1a6r n GLY 399 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 1a6r s LYS 400 N 0.00 2.93 -1.14 1.61 2.20 -0.53 -4.51 119.74 120.31 1a6r s LYS 400 Ca 0.00 -2.18 -0.07 0.00 -0.36 0.00 0.00 55.97 53.36 1a6r s LYS 400 Cb 0.00 -4.09 0.01 0.00 -1.51 0.00 0.00 37.83 32.24 1a6r s LYS 400 CO 0.00 -1.24 0.92 -0.25 -0.36 0.00 0.00 175.35 174.42 1a6r n ASP 401 N 4.29 -5.59 0.00 1.43 8.00 -1.23 -2.40 116.55 121.04 1a6r n ASP 401 Ca 0.03 -0.42 0.00 0.00 0.71 0.00 0.00 54.79 55.11 1a6r n ASP 401 Cb 0.42 -4.23 0.00 0.00 -0.02 0.00 0.00 41.12 37.29 1a6r n ASP 401 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 1a6r n GLY 402 N -1.70 2.40 3.90 0.44 0.00 0.18 -4.78 105.19 105.63 1a6r n GLY 402 Ca -0.00 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.69 1a6r n GLY 402 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1a6r s LEU 403 N 0.00 4.36 0.25 0.99 1.02 -1.01 -2.92 118.68 121.37 1a6r s LEU 403 Ca 0.00 0.39 0.09 0.00 0.02 0.00 0.00 54.13 54.63 1a6r s LEU 403 Cb 0.00 -2.80 -0.05 0.00 0.02 0.00 0.00 46.19 43.36 1a6r s LEU 403 CO 0.00 0.21 -0.14 -0.31 0.02 0.00 0.00 176.35 176.14 1a6r s TYR 404 N -1.41 1.98 -0.08 0.29 1.51 0.58 -1.45 117.35 118.77 1a6r s TYR 404 Ca 0.31 -0.53 0.01 0.00 -1.01 0.00 0.00 57.07 55.85 1a6r s TYR 404 Cb -0.13 -0.97 0.02 0.00 -0.11 0.00 0.00 41.96 40.77 1a6r s TYR 404 CO 0.21 0.46 -0.11 0.54 -1.11 0.00 0.00 175.55 175.54 1a6r s VAL 405 N -2.83 1.15 -0.13 0.71 0.11 0.16 -0.27 120.40 119.29 1a6r s VAL 405 Ca 0.27 -0.45 0.02 0.00 -2.93 0.00 0.00 61.98 58.89 1a6r s VAL 405 Cb -0.01 -1.08 -0.00 0.00 -1.53 0.00 0.00 36.38 33.77 1a6r s VAL 405 CO 0.11 0.37 -0.19 -0.32 -3.33 0.00 0.00 175.10 171.73 1a6r s MET 406 N 0.97 3.16 0.67 1.54 1.75 -0.13 -0.55 119.30 126.71 1a6r s MET 406 Ca -0.09 -0.80 -0.13 0.00 -1.25 0.00 0.00 55.69 53.42 1a6r s MET 406 Cb -0.15 -2.47 0.00 0.00 2.84 0.00 0.00 34.83 35.05 1a6r s MET 406 CO -0.00 0.12 1.08 0.95 -0.65 0.00 0.00 175.02 176.51 1a6r s THR 407 N 0.53 3.63 0.24 10.11 -4.23 -0.80 -0.31 115.64 124.82 1a6r s THR 407 Ca -0.12 0.66 -0.05 0.00 -1.18 0.00 0.00 61.69 61.00 1a6r s THR 407 Cb -0.17 -3.23 0.22 0.00 1.34 0.00 0.00 72.50 70.67 1a6r s THR 407 CO 0.04 -0.57 1.86 -0.61 -0.54 0.00 0.00 174.62 174.80 1a6r h GLN 408 N -0.26 0.97 -0.65 3.99 5.75 -1.33 -1.51 115.11 122.06 1a6r h GLN 408 Ca -0.45 -0.06 -0.05 0.00 -0.15 0.00 0.00 58.65 57.94 1a6r h GLN 408 Cb 1.23 -0.22 -0.03 0.00 1.07 0.00 0.00 27.48 29.53 1a6r h GLN 408 CO 0.55 0.64 0.22 -0.22 -2.65 0.00 0.00 178.83 177.37 1a6r h LYS 409 N 1.00 0.99 -0.56 1.69 1.63 -1.91 -1.37 116.57 118.04 1a6r h LYS 409 Ca 0.38 -0.19 -0.06 0.00 -0.85 0.00 0.00 60.65 59.93 1a6r h LYS 409 Cb 0.17 -0.16 -0.02 0.00 -0.60 0.00 0.00 32.23 31.62 1a6r h LYS 409 CO -0.17 0.84 0.12 -0.92 -3.45 0.00 0.00 179.45 175.86 1a6r h TYR 410 N 0.96 0.95 -0.59 1.91 5.03 -1.68 -1.20 116.97 122.37 1a6r h TYR 410 Ca 0.22 -0.12 0.06 0.00 2.58 0.00 0.00 58.73 61.46 1a6r h TYR 410 Cb 0.25 -0.27 -0.05 0.00 1.55 0.00 0.00 36.73 38.22 1a6r h TYR 410 CO 0.02 0.83 0.30 0.35 -1.32 0.00 0.00 178.16 178.34 1a6r h PHE 411 N 0.80 0.54 -0.58 -3.82 3.57 -0.50 0.27 116.94 117.23 1a6r h PHE 411 Ca 0.17 0.02 -0.10 0.00 3.53 0.00 0.00 57.97 61.60 1a6r h PHE 411 Cb 0.37 -0.16 -0.02 0.00 2.79 0.00 0.00 35.95 38.93 1a6r h PHE 411 CO 0.03 0.25 -0.03 0.93 -2.23 0.00 0.00 178.31 177.26 1a6r h GLU 412 N 0.56 1.04 0.01 1.11 5.08 -1.06 -3.01 114.58 118.30 1a6r h GLU 412 Ca 0.27 -0.34 -0.36 0.00 -1.00 0.00 0.00 59.36 57.93 1a6r h GLU 412 Cb 0.19 -0.09 -0.06 0.00 0.50 0.00 0.00 28.75 29.29 1a6r h GLU 412 CO -0.19 1.03 -2.29 0.39 -1.00 0.00 0.00 179.01 176.94 1a6r n GLU 413 N -4.17 0.68 -0.14 2.33 -0.58 -0.47 -4.63 120.64 113.66 1a6r n GLU 413 Ca 0.03 0.09 0.06 0.00 -0.42 0.00 0.00 57.16 56.92 1a6r n GLU 413 Cb 0.36 -1.57 0.13 0.00 -0.57 0.00 0.00 31.44 29.78 1a6r n GLU 413 CO 0.00 0.00 0.00 0.66 -0.48 0.00 0.00 177.13 177.31 1a6r n TYR 414 N -2.97 0.24 -4.35 -0.32 4.01 0.93 -4.95 117.16 109.74 1a6r n TYR 414 Ca -0.34 -0.77 -0.29 0.00 -0.16 0.00 0.00 57.90 56.34 1a6r n TYR 414 Cb 1.09 -0.14 -0.12 0.00 -0.31 0.00 0.00 39.34 39.86 1a6r n TYR 414 CO 0.00 0.00 0.00 0.00 -0.46 0.00 0.00 176.86 176.40 1a6r n PHE 416 N 0.77 0.00 -3.49 0.00 3.72 -0.45 -4.83 117.46 113.19 1a6r n PHE 416 Ca -0.16 0.00 -0.15 0.00 -0.05 0.00 0.00 57.45 57.09 1a6r n PHE 416 Cb 0.53 0.00 -0.04 0.00 -0.94 0.00 0.00 39.48 39.03 1a6r n PHE 416 CO 0.00 0.00 0.00 1.14 -0.05 0.00 0.00 176.76 177.85 1a6r s GLN 417 N -0.85 1.14 0.14 -1.08 -2.07 -1.24 -0.63 119.66 115.07 1a6r s GLN 417 Ca 0.00 -0.10 0.01 0.00 -1.82 0.00 0.00 55.36 53.46 1a6r s GLN 417 Cb 0.00 0.53 -0.04 0.00 -1.09 0.00 0.00 33.01 32.41 1a6r s GLN 417 CO 0.00 -0.42 -0.01 0.96 -1.32 0.00 0.00 175.29 174.50 1a6r s ILE 418 N -2.36 0.58 -0.12 3.63 -4.36 -0.65 -1.00 121.20 116.93 1a6r s ILE 418 Ca -0.06 -1.95 0.03 0.00 -0.26 0.00 0.00 60.65 58.41 1a6r s ILE 418 Cb -0.00 -1.97 0.01 0.00 1.25 0.00 0.00 42.46 41.74 1a6r s ILE 418 CO -0.01 -0.60 -0.23 -0.69 0.24 0.00 0.00 174.94 173.66 1a6r s VAL 419 N -3.71 2.03 0.27 8.37 1.01 -0.83 -1.49 120.40 126.05 1a6r s VAL 419 Ca 0.20 -0.98 0.02 0.00 0.00 0.00 0.00 61.98 61.22 1a6r s VAL 419 Cb 0.06 -1.77 -0.05 0.00 0.00 0.00 0.00 36.38 34.61 1a6r s VAL 419 CO 0.01 0.55 0.08 0.68 0.00 0.00 0.00 175.10 176.42 1a6r s VAL 420 N 0.59 0.72 0.07 2.92 -7.23 -0.72 -4.45 120.40 112.30 1a6r s VAL 420 Ca -0.13 -2.00 -0.20 0.00 -1.81 0.00 0.00 61.98 57.84 1a6r s VAL 420 Cb -0.17 -2.66 -0.07 0.00 0.56 0.00 0.00 36.38 34.05 1a6r s VAL 420 CO 0.03 -0.01 0.58 -1.81 -0.31 0.00 0.00 175.10 173.58 1a6r s ASP 421 N -3.35 7.07 0.53 4.85 1.01 -1.26 -0.06 116.67 125.46 1a6r s ASP 421 Ca 0.37 1.27 0.30 0.00 0.71 0.00 0.00 52.55 55.21 1a6r s ASP 421 Cb 0.08 -2.37 1.46 0.00 1.01 0.00 0.00 42.92 43.11 1a6r s ASP 421 CO 0.14 0.25 1.90 -0.29 0.21 0.00 0.00 175.17 177.38 1a6r h ILE 422 N 3.61 0.58 0.00 0.77 2.10 -0.81 0.16 117.51 123.91 1a6r h ILE 422 Ca -0.49 -0.00 0.00 0.00 1.08 0.00 0.00 64.86 65.45 1a6r h ILE 422 Cb 1.21 0.57 0.00 0.00 -1.09 0.00 0.00 36.82 37.51 1a6r h ILE 422 CO 0.64 0.00 0.00 0.59 -1.08 0.00 0.00 178.15 178.31 1a6r n ASN 423 N -4.29 0.00 0.02 2.19 5.03 -1.26 -2.61 115.26 114.34 1a6r n ASN 423 Ca 0.17 0.14 0.12 0.00 0.87 0.00 0.00 54.58 55.88 1a6r n ASN 423 Cb 0.91 -0.37 0.24 0.00 -1.02 0.00 0.00 39.78 39.54 1a6r n ASN 423 CO 0.00 0.00 0.00 -0.62 -1.83 0.00 0.00 177.26 174.81 1a6r n GLU 424 N -1.37 0.10 -2.44 3.52 1.02 0.55 -4.92 120.64 117.10 1a6r n GLU 424 Ca 0.10 0.03 -0.31 0.00 -0.02 0.00 0.00 57.16 56.96 1a6r n GLU 424 Cb 0.25 -1.56 -0.02 0.00 -0.02 0.00 0.00 31.44 30.09 1a6r n GLU 424 CO 0.00 0.00 0.00 -0.51 1.18 0.00 0.00 177.13 177.80 1a6r s LEU 425 N -3.40 3.59 0.37 -4.62 1.43 -1.07 -5.02 118.68 109.96 1a6r s LEU 425 Ca 0.09 1.31 -0.26 0.00 -1.03 0.00 0.00 54.13 54.24 1a6r s LEU 425 Cb 0.16 -4.26 -0.09 0.00 0.03 0.00 0.00 46.19 42.03 1a6r s LEU 425 CO 0.70 -0.60 1.19 -2.84 0.23 0.00 0.00 176.35 175.03 1a6r s PRO 426 N -4.36 4.20 0.50 1.29 0.02 -1.26 -4.74 135.00 130.64 1a6r s PRO 426 Ca 0.54 1.91 0.29 0.00 0.02 0.00 0.00 61.00 63.76 1a6r s PRO 426 Cb -0.10 -2.83 1.39 0.00 0.02 0.00 0.00 34.50 32.98 1a6r s PRO 426 CO 0.39 -0.22 1.84 1.57 -0.33 0.00 0.00 177.00 180.24 1a6r h LYS 427 N 2.95 0.12 -0.30 5.54 2.10 -1.96 0.37 116.57 125.38 1a6r h LYS 427 Ca -0.48 -0.01 -0.05 0.00 -2.00 0.00 0.00 60.65 58.11 1a6r h LYS 427 Cb 1.23 -0.03 -0.02 0.00 -0.90 0.00 0.00 32.23 32.52 1a6r h LYS 427 CO 0.64 0.08 -0.02 0.93 -2.00 0.00 0.00 179.45 179.08 1a6r h GLU 428 N 0.12 0.47 0.16 0.07 3.07 -2.01 -1.77 114.58 114.70 1a6r h GLU 428 Ca 0.51 -0.10 -0.34 0.00 -0.50 0.00 0.00 59.36 58.93 1a6r h GLU 428 Cb 1.79 -0.07 0.00 0.00 -0.84 0.00 0.00 28.75 29.63 1a6r h GLU 428 CO -0.08 0.51 -1.73 -0.07 -1.40 0.00 0.00 179.01 176.24 1a6r h LEU 429 N 0.45 0.53 -0.88 1.33 3.38 -0.72 -3.37 115.31 116.03 1a6r h LEU 429 Ca 0.10 -0.81 0.04 0.00 0.09 0.00 0.00 57.88 57.29 1a6r h LEU 429 Cb 0.33 -0.17 -0.05 0.00 0.09 0.00 0.00 40.66 40.85 1a6r h LEU 429 CO 0.01 1.69 0.57 0.00 0.09 0.00 0.00 178.44 180.80 1a6r h ALA 430 N 0.23 1.16 -0.01 1.53 0.00 -0.77 -2.20 119.26 119.19 1a6r h ALA 430 Ca -0.33 -0.04 0.00 0.00 0.00 0.00 0.00 54.91 54.55 1a6r h ALA 430 Cb 2.07 -0.30 -0.00 0.00 0.00 0.00 0.00 17.79 19.56 1a6r h ALA 430 CO 0.16 0.41 0.01 0.66 0.00 0.00 0.00 179.25 180.49 1a6r h SER 431 N 1.10 0.00 -0.38 0.00 4.64 -1.48 0.55 113.55 117.98 1a6r h SER 431 Ca 0.35 0.00 0.10 0.00 -0.47 0.00 0.00 61.79 61.77 1a6r h SER 431 Cb 0.01 0.00 -0.02 0.00 -0.31 0.00 0.00 62.40 62.09 1a6r h SER 431 CO -0.12 0.00 0.27 0.11 -0.87 0.00 0.00 176.83 176.22 1a6r h LYS 432 N 0.00 0.05 0.05 4.77 1.79 -1.54 0.43 116.57 122.12 1a6r h LYS 432 Ca 0.01 -0.00 -0.25 0.00 -2.18 0.00 0.00 60.65 58.22 1a6r h LYS 432 Cb 0.03 -0.01 -0.02 0.00 -1.58 0.00 0.00 32.23 30.65 1a6r h LYS 432 CO -0.00 0.04 -1.37 0.74 -1.08 0.00 0.00 179.45 177.78 1a6r h PHE 433 N 0.06 0.19 0.02 -1.35 0.04 -1.03 -3.42 116.94 111.44 1a6r h PHE 433 Ca 0.18 -0.14 -0.26 0.00 2.80 0.00 0.00 57.97 60.55 1a6r h PHE 433 Cb 0.64 -0.01 0.02 0.00 2.20 0.00 0.00 35.95 38.81 1a6r h PHE 433 CO -0.00 1.54 -1.02 1.79 -0.60 0.00 0.00 178.31 180.01 1a6r h THR 434 N -0.64 1.29 -0.87 -1.55 1.35 -1.15 -3.43 112.91 107.90 1a6r h THR 434 Ca -0.34 -2.25 0.00 0.00 -0.55 0.00 0.00 66.41 63.27 1a6r h THR 434 Cb 1.53 2.44 0.00 0.00 -1.73 0.00 0.00 68.15 70.39 1a6r h THR 434 CO -0.08 0.69 0.00 -1.54 -0.25 0.00 0.00 175.52 174.34 1a6r n SER 435 N -3.89 -0.41 -3.23 5.36 3.41 0.12 -4.75 113.62 110.23 1a6r n SER 435 Ca -0.11 -0.19 -0.20 0.00 -0.26 0.00 0.00 58.87 58.11 1a6r n SER 435 Cb 0.87 0.00 -0.05 0.00 -0.26 0.00 0.00 64.21 64.78 1a6r n SER 435 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 1a6r n GLY 436 N 2.38 1.40 4.69 5.00 0.00 -1.26 -4.67 105.19 112.72 1a6r n GLY 436 Ca 0.00 -0.47 0.00 0.00 0.00 0.00 0.00 46.02 45.55 1a6r n GLY 436 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 173.32 174.49 1a6r n LYS 437 N 6.14 0.00 0.00 1.61 3.00 -1.26 -4.48 118.16 123.17 1a6r n LYS 437 Ca 0.23 0.00 0.00 0.00 -0.00 0.00 0.00 58.31 58.54 1a6r n LYS 437 Cb 0.18 -0.12 0.00 0.00 0.00 0.00 0.00 35.03 35.10 1a6r n LYS 437 CO 0.00 0.00 0.00 -1.91 0.00 0.00 0.00 177.40 175.49 1a6r n GLU 438 N 0.00 0.00 -1.47 1.64 0.00 -1.26 -4.58 120.64 114.97 1a6r n GLU 438 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 57.16 57.16 1a6r n GLU 438 Cb 0.00 -0.14 0.00 0.00 0.00 0.00 0.00 31.44 31.30 1a6r n GLU 438 CO 0.00 0.00 0.00 -1.91 0.00 0.00 0.00 177.13 175.22 1a6r n GLU 439 N -0.57 0.00 -2.38 5.31 0.00 -1.26 -5.01 120.64 116.73 1a6r n GLU 439 Ca 0.00 0.49 -0.34 0.00 0.00 0.00 0.00 57.16 57.31 1a6r n GLU 439 Cb 0.00 -0.98 -0.02 0.00 0.00 0.00 0.00 31.44 30.44 1a6r n GLU 439 CO 0.00 0.00 0.00 -1.25 0.00 0.00 0.00 177.13 175.88 1a6r s PRO 440 N -0.73 3.64 -0.05 5.31 0.04 -1.26 -4.71 135.00 137.22 1a6r s PRO 440 Ca 0.00 1.33 -0.30 0.00 0.04 0.00 0.00 61.00 62.07 1a6r s PRO 440 Cb 0.00 -2.07 -0.03 0.00 0.04 0.00 0.00 34.50 32.44 1a6r s PRO 440 CO 0.00 -0.56 1.09 0.42 0.04 0.00 0.00 177.00 177.98 1a6r s ILE 441 N -2.11 4.54 -0.29 0.56 1.01 0.87 -4.83 121.20 120.95 1a6r s ILE 441 Ca 0.66 1.83 -0.12 0.00 0.00 0.00 0.00 60.65 63.03 1a6r s ILE 441 Cb -0.17 -4.18 -0.04 0.00 0.01 0.00 0.00 42.46 38.09 1a6r s ILE 441 CO 0.25 0.04 0.22 -0.69 0.00 0.00 0.00 174.94 174.76 1a6r s VAL 442 N 1.82 5.29 0.10 2.92 1.01 -1.26 -0.14 120.40 130.14 1a6r s VAL 442 Ca 0.52 0.12 0.05 0.00 0.00 0.00 0.00 61.98 62.68 1a6r s VAL 442 Cb -0.22 -3.59 -0.04 0.00 0.00 0.00 0.00 36.38 32.53 1a6r s VAL 442 CO 0.22 0.18 0.02 -0.76 0.00 0.00 0.00 175.10 174.77 1a6r s LEU 443 N 1.79 3.55 0.82 3.92 1.43 -0.33 -4.97 118.68 124.88 1a6r s LEU 443 Ca 0.08 -0.15 -0.10 0.00 -1.03 0.00 0.00 54.13 52.92 1a6r s LEU 443 Cb -0.16 -2.26 0.09 0.00 0.03 0.00 0.00 46.19 43.89 1a6r s LEU 443 CO 0.11 0.16 1.11 -2.84 0.23 0.00 0.00 176.35 175.12 1a6r s PRO 444 N -2.41 1.83 0.41 1.29 0.02 -1.26 -1.10 135.00 133.77 1a6r s PRO 444 Ca 0.27 1.31 0.08 0.00 0.02 0.00 0.00 61.00 62.68 1a6r s PRO 444 Cb -0.12 -1.84 0.87 0.00 0.02 0.00 0.00 34.50 33.44 1a6r s PRO 444 CO 0.19 -1.99 2.04 0.97 -0.33 0.00 0.00 177.00 177.89 1a6r h ILE 445 N -1.36 1.07 -0.01 2.83 2.10 -1.92 -1.00 117.51 119.21 1a6r h ILE 445 Ca -0.43 -0.19 0.00 0.00 1.08 0.00 0.00 64.86 65.31 1a6r h ILE 445 Cb 1.24 0.46 0.00 0.00 -1.09 0.00 0.00 36.82 37.43 1a6r h ILE 445 CO 0.48 0.10 0.00 -2.67 -1.08 0.00 0.00 178.15 174.98 1a6r n TRP 446 N -4.47 0.01 -2.21 2.19 2.14 -1.26 -4.61 117.44 109.23 1a6r n TRP 446 Ca 0.05 -0.01 -0.41 0.00 2.07 0.00 0.00 57.50 59.21 1a6r n TRP 446 Cb 0.12 0.00 -0.03 0.00 -0.81 0.00 0.00 31.31 30.59 1a6r n TRP 446 CO 0.00 0.00 0.00 0.34 2.07 0.00 0.00 177.69 180.10 1a6r s ASP 447 N -1.68 6.90 0.49 -0.67 -1.08 -0.38 -4.89 116.67 115.36 1a6r s ASP 447 Ca 0.33 2.58 0.31 0.00 -0.52 0.00 0.00 52.55 55.25 1a6r s ASP 447 Cb 0.15 -2.64 1.41 0.00 -1.46 0.00 0.00 42.92 40.38 1a6r s ASP 447 CO 0.25 -0.43 1.78 1.55 0.52 0.00 0.00 175.17 178.84 1a6r h PRO 448 N 3.49 0.12 0.00 4.34 0.13 -1.89 0.45 132.00 138.64 1a6r h PRO 448 Ca -0.48 -0.01 0.00 0.00 -0.87 0.00 0.00 66.00 64.64 1a6r h PRO 448 Cb 1.22 -0.03 0.00 0.00 0.13 0.00 0.00 31.00 32.32 1a6r h PRO 448 CO 0.66 0.08 0.00 -0.12 -0.23 0.00 0.00 178.00 178.39 1a6r n MET 449 N -4.35 0.25 -0.36 0.86 1.56 -1.26 -2.40 117.12 111.43 1a6r n MET 449 Ca 0.27 0.08 0.08 0.00 -0.27 0.00 0.00 57.70 57.86 1a6r n MET 449 Cb 1.16 -1.50 0.25 0.00 2.15 0.00 0.00 33.22 35.29 1a6r n MET 449 CO 0.00 0.00 0.00 0.41 -0.73 0.00 0.00 175.97 175.65 1a6r n GLY 450 N 0.72 1.78 3.77 -5.12 0.00 0.16 -4.96 105.19 101.54 1a6r n GLY 450 Ca 0.10 -0.61 -0.35 0.00 0.00 0.00 0.00 46.02 45.16 1a6r n GLY 450 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1a6r s ALA 451 N -1.48 2.63 -0.01 4.61 0.00 -1.01 -4.97 121.76 121.54 1a6r s ALA 451 Ca 0.37 0.78 0.01 0.00 0.00 0.00 0.00 51.96 53.12 1a6r s ALA 451 Cb 0.21 -3.36 -0.04 0.00 0.00 0.00 0.00 23.12 19.94 1a6r s ALA 451 CO 0.22 -0.92 0.01 -0.51 0.00 0.00 0.00 175.76 174.56 1a6r s LEU 452 N -4.07 3.58 -0.09 0.00 1.43 -1.26 -4.89 118.68 113.38 1a6r s LEU 452 Ca 0.72 0.03 -0.27 0.00 -1.03 0.00 0.00 54.13 53.58 1a6r s LEU 452 Cb -0.24 -2.05 -0.02 0.00 0.03 0.00 0.00 46.19 43.92 1a6r s LEU 452 CO 0.31 0.29 0.88 0.00 0.23 0.00 0.00 176.35 178.05 1a6r s ALA 453 N -1.09 3.36 -0.76 4.21 0.00 0.34 -4.44 121.76 123.39 1a6r s ALA 453 Ca 0.20 0.25 0.06 0.00 0.00 0.00 0.00 51.96 52.47 1a6r s ALA 453 Cb -0.12 -3.24 0.05 0.00 0.00 0.00 0.00 23.12 19.81 1a6r s ALA 453 CO 0.10 -0.41 0.69 1.63 0.00 0.00 0.00 175.76 177.77