#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3mx6 s LYS 3 N 0.00 4.46 -0.27 0.38 1.02 -1.26 -5.02 119.74 119.05 3mx6 s LYS 3 Ca 0.00 1.91 -0.08 0.00 0.02 0.00 0.00 55.97 57.83 3mx6 s LYS 3 Cb 0.00 -3.24 -0.02 0.00 -0.52 0.00 0.00 37.83 34.06 3mx6 s LYS 3 CO 0.00 -0.14 0.09 0.42 -0.92 0.00 0.00 175.35 174.79 3mx6 s ILE 4 N 0.07 4.29 0.18 2.17 -1.09 -1.26 -4.41 121.20 121.15 3mx6 s ILE 4 Ca 0.54 -0.31 0.02 0.00 -2.23 0.00 0.00 60.65 58.67 3mx6 s ILE 4 Cb -0.33 -3.08 -0.04 0.00 -1.58 0.00 0.00 42.46 37.43 3mx6 s ILE 4 CO 0.36 0.24 0.33 -1.00 -1.23 0.00 0.00 174.94 173.65 3mx6 s HIS 5 N 1.59 3.48 0.53 3.97 3.76 -0.06 -5.01 115.29 123.56 3mx6 s HIS 5 Ca 0.05 0.13 0.05 0.00 -0.15 0.00 0.00 55.06 55.15 3mx6 s HIS 5 Cb -0.16 -1.68 0.03 0.00 1.11 0.00 0.00 32.58 31.88 3mx6 s HIS 5 CO 0.04 0.46 0.38 0.95 -0.85 0.00 0.00 174.74 175.72 3mx6 s THR 6 N -1.83 1.68 0.34 1.30 -4.23 -1.26 -4.44 115.64 107.20 3mx6 s THR 6 Ca 0.35 -1.52 0.08 0.00 -1.18 0.00 0.00 61.69 59.43 3mx6 s THR 6 Cb -0.11 -2.20 0.32 0.00 1.34 0.00 0.00 72.50 71.86 3mx6 s THR 6 CO 0.29 0.00 1.83 -0.08 -0.54 0.00 0.00 174.62 176.12 3mx6 h GLU 7 N 0.81 0.69 -0.83 3.99 4.57 -2.00 0.11 114.58 121.91 3mx6 h GLU 7 Ca -0.37 -0.04 0.11 0.00 -1.18 0.00 0.00 59.36 57.88 3mx6 h GLU 7 Cb 1.30 -0.16 -0.06 0.00 -0.16 0.00 0.00 28.75 29.68 3mx6 h GLU 7 CO 0.58 0.46 0.54 0.87 -1.18 0.00 0.00 179.01 180.28 3mx6 h LYS 8 N 0.71 0.70 0.10 1.92 6.56 -2.00 -1.16 116.57 123.40 3mx6 h LYS 8 Ca 0.51 -0.04 -0.26 0.00 -1.06 0.00 0.00 60.65 59.79 3mx6 h LYS 8 Cb 0.84 -0.16 -0.00 0.00 -0.57 0.00 0.00 32.23 32.34 3mx6 h LYS 8 CO -0.27 0.46 -1.21 -0.44 -2.06 0.00 0.00 179.45 175.93 3mx6 h ASP 9 N 0.72 0.34 -0.95 0.86 3.32 -1.20 -3.03 116.42 116.48 3mx6 h ASP 9 Ca 0.40 -0.37 0.03 0.00 0.02 0.00 0.00 57.03 57.11 3mx6 h ASP 9 Cb 0.54 -0.11 -0.05 0.00 0.22 0.00 0.00 39.33 39.93 3mx6 h ASP 9 CO -0.16 1.29 0.63 -0.26 -1.72 0.00 0.00 179.24 179.02 3mx6 h PHE 10 N 0.06 1.18 -0.49 4.55 -1.00 -0.69 -1.05 116.94 119.50 3mx6 h PHE 10 Ca -0.12 0.03 -0.02 0.00 2.81 0.00 0.00 57.97 60.67 3mx6 h PHE 10 Cb 1.94 -0.39 -0.02 0.00 3.61 0.00 0.00 35.95 41.08 3mx6 h PHE 10 CO 0.05 0.70 0.23 0.82 -1.61 0.00 0.00 178.31 178.50 3mx6 h ILE 11 N 1.23 1.19 -0.79 -0.55 2.04 -1.13 -0.35 117.51 119.15 3mx6 h ILE 11 Ca 0.37 -0.54 -0.04 0.00 1.00 0.00 0.00 64.86 65.65 3mx6 h ILE 11 Cb -0.04 0.65 -0.04 0.00 -0.74 0.00 0.00 36.82 36.66 3mx6 h ILE 11 CO -0.10 0.21 0.33 0.11 0.00 0.00 0.00 178.15 178.70 3mx6 h LYS 12 N 0.64 1.17 -0.07 2.37 1.79 -1.36 -2.85 116.57 118.26 3mx6 h LYS 12 Ca 0.17 -0.20 -0.17 0.00 -2.18 0.00 0.00 60.65 58.27 3mx6 h LYS 12 Cb 0.12 -0.20 -0.01 0.00 -1.58 0.00 0.00 32.23 30.57 3mx6 h LYS 12 CO -0.02 0.94 -0.69 0.52 -1.08 0.00 0.00 179.45 179.12 3mx6 h MET 13 N 1.14 0.31 -0.81 3.15 2.86 -0.88 -1.91 114.93 118.79 3mx6 h MET 13 Ca 0.27 -0.24 0.04 0.00 -2.06 0.00 0.00 59.70 57.70 3mx6 h MET 13 Cb 0.19 0.05 -0.05 0.00 0.06 0.00 0.00 31.60 31.85 3mx6 h MET 13 CO -0.02 0.88 0.52 0.00 1.06 0.00 0.00 176.91 179.34 3mx6 h ARG 14 N 0.22 0.96 -0.23 1.72 3.08 -0.93 -0.45 114.38 118.75 3mx6 h ARG 14 Ca -0.02 -0.06 -0.09 0.00 0.07 0.00 0.00 59.98 59.88 3mx6 h ARG 14 Cb 1.24 -0.22 -0.00 0.00 0.08 0.00 0.00 29.97 31.06 3mx6 h ARG 14 CO 0.11 0.64 -0.23 0.00 -1.07 0.00 0.00 179.97 179.42 3mx6 h ALA 15 N 1.35 0.34 -0.33 0.04 0.00 -1.26 -1.16 119.26 118.24 3mx6 h ALA 15 Ca 0.33 -0.37 -0.03 0.00 0.00 0.00 0.00 54.91 54.84 3mx6 h ALA 15 Cb 0.04 -0.07 -0.01 0.00 0.00 0.00 0.00 17.79 17.75 3mx6 h ALA 15 CO -0.13 0.30 0.08 0.00 0.00 0.00 0.00 179.25 179.50 3mx6 h ALA 16 N 0.67 0.44 -0.48 0.00 0.00 -1.27 -2.35 119.26 116.27 3mx6 h ALA 16 Ca 0.04 -0.18 -0.06 0.00 0.00 0.00 0.00 54.91 54.70 3mx6 h ALA 16 Cb 0.78 -0.13 -0.02 0.00 0.00 0.00 0.00 17.79 18.42 3mx6 h ALA 16 CO 0.06 0.11 0.03 0.78 0.00 0.00 0.00 179.25 180.23 3mx6 h GLY 17 N 0.38 0.82 0.95 0.00 0.00 -1.09 -1.65 103.07 102.48 3mx6 h GLY 17 Ca 0.10 -0.52 -0.00 0.00 0.00 0.00 0.00 47.33 46.91 3mx6 h GLY 17 CO 0.00 0.49 0.09 1.70 0.00 0.00 0.00 176.54 178.81 3mx6 h LYS 18 N 0.72 0.21 -0.88 4.80 3.64 -1.01 -0.80 116.57 123.25 3mx6 h LYS 18 Ca 0.15 -0.02 -0.01 0.00 -1.27 0.00 0.00 60.65 59.49 3mx6 h LYS 18 Cb 0.39 -0.04 -0.04 0.00 -0.41 0.00 0.00 32.23 32.13 3mx6 h LYS 18 CO 0.01 0.21 0.49 1.25 -2.27 0.00 0.00 179.45 179.15 3mx6 h LEU 19 N 0.16 1.10 -0.68 5.20 5.85 -1.22 0.21 115.31 125.93 3mx6 h LEU 19 Ca 0.05 -0.09 -0.01 0.00 0.84 0.00 0.00 57.88 58.67 3mx6 h LEU 19 Cb 0.06 -0.28 -0.03 0.00 0.37 0.00 0.00 40.66 40.78 3mx6 h LEU 19 CO -0.01 0.87 0.38 0.00 -0.34 0.00 0.00 178.44 179.35 3mx6 h ALA 20 N 1.27 0.87 -0.28 1.25 0.00 -1.08 -1.03 119.26 120.26 3mx6 h ALA 20 Ca 0.31 -0.10 -0.14 0.00 0.00 0.00 0.00 54.91 54.98 3mx6 h ALA 20 Cb 0.01 -0.27 -0.01 0.00 0.00 0.00 0.00 17.79 17.52 3mx6 h ALA 20 CO -0.05 0.37 -0.39 0.00 0.00 0.00 0.00 179.25 179.18 3mx6 h ALA 21 N 1.19 0.78 -0.24 0.00 0.00 -0.62 -2.43 119.26 117.94 3mx6 h ALA 21 Ca 0.24 -0.44 -0.03 0.00 0.00 0.00 0.00 54.91 54.67 3mx6 h ALA 21 Cb 0.02 -0.11 -0.01 0.00 0.00 0.00 0.00 17.79 17.68 3mx6 h ALA 21 CO -0.04 0.65 0.00 0.93 0.00 0.00 0.00 179.25 180.80 3mx6 h GLU 22 N 0.55 0.36 -0.40 0.00 5.08 -0.27 -0.11 114.58 119.79 3mx6 h GLU 22 Ca 0.05 -0.06 -0.01 0.00 -1.00 0.00 0.00 59.36 58.33 3mx6 h GLU 22 Cb 0.92 -0.06 -0.02 0.00 0.50 0.00 0.00 28.75 30.09 3mx6 h GLU 22 CO 0.08 0.38 0.20 1.15 -1.00 0.00 0.00 179.01 179.82 3mx6 h THR 23 N 0.35 1.17 -0.30 1.13 2.02 -0.71 -1.09 112.91 115.47 3mx6 h THR 23 Ca 0.08 -0.47 -0.11 0.00 0.77 0.00 0.00 66.41 66.68 3mx6 h THR 23 Cb 0.23 0.75 -0.01 0.00 -1.74 0.00 0.00 68.15 67.38 3mx6 h THR 23 CO 0.00 0.18 -0.29 -0.07 0.37 0.00 0.00 175.52 175.72 3mx6 h LEU 24 N 0.50 0.63 -0.34 2.58 3.38 -1.16 -1.90 115.31 119.00 3mx6 h LEU 24 Ca 0.14 -0.24 0.00 0.00 0.09 0.00 0.00 57.88 57.87 3mx6 h LEU 24 Cb 0.11 -0.17 -0.02 0.00 0.09 0.00 0.00 40.66 40.67 3mx6 h LEU 24 CO -0.02 0.88 0.21 0.44 0.09 0.00 0.00 178.44 180.05 3mx6 h ASP 25 N 0.53 0.40 -0.62 -0.43 5.19 -0.76 -3.11 116.42 117.61 3mx6 h ASP 25 Ca 0.07 -0.04 0.02 0.00 -0.62 0.00 0.00 57.03 56.46 3mx6 h ASP 25 Cb 0.76 -0.10 -0.04 0.00 0.18 0.00 0.00 39.33 40.14 3mx6 h ASP 25 CO 0.06 0.31 0.40 0.15 -3.12 0.00 0.00 179.24 177.04 3mx6 h PHE 26 N 0.44 0.75 0.00 4.55 3.57 -0.93 -2.91 116.94 122.41 3mx6 h PHE 26 Ca 0.12 0.02 -0.03 0.00 3.53 0.00 0.00 57.97 61.61 3mx6 h PHE 26 Cb -0.02 -0.25 -0.00 0.00 2.79 0.00 0.00 35.95 38.47 3mx6 h PHE 26 CO -0.05 0.45 -0.15 0.97 -2.23 0.00 0.00 178.31 177.31 3mx6 h ILE 27 N 0.80 0.41 -0.78 1.41 6.09 -1.31 -3.33 117.51 120.80 3mx6 h ILE 27 Ca 0.24 -0.84 0.13 0.00 -1.37 0.00 0.00 64.86 63.02 3mx6 h ILE 27 Cb -0.04 1.61 -0.14 0.00 0.47 0.00 0.00 36.82 38.72 3mx6 h ILE 27 CO -0.08 0.14 -0.35 0.74 -3.07 0.00 0.00 178.15 175.54 3mx6 h THR 28 N 0.00 0.10 0.00 2.19 2.02 -1.45 0.44 112.91 116.21 3mx6 h THR 28 Ca -0.00 0.00 0.00 0.00 0.77 0.00 0.00 66.41 67.18 3mx6 h THR 28 Cb 0.60 0.10 0.00 0.00 -1.74 0.00 0.00 68.15 67.11 3mx6 h THR 28 CO 0.02 0.00 0.00 0.47 0.37 0.00 0.00 175.52 176.38 3mx6 n ASP 29 N -5.46 0.43 -0.02 4.18 9.92 -1.25 -2.48 116.55 121.87 3mx6 n ASP 29 Ca 0.07 0.61 0.12 0.00 -0.53 0.00 0.00 54.79 55.06 3mx6 n ASP 29 Cb 0.38 -0.70 0.20 0.00 -0.64 0.00 0.00 41.12 40.37 3mx6 n ASP 29 CO 0.00 0.00 0.00 1.41 0.13 0.00 0.00 177.20 178.74 3mx6 n HIS 30 N -1.98 0.00 -2.70 1.24 8.25 0.14 -4.78 115.22 115.39 3mx6 n HIS 30 Ca 0.03 0.00 -0.42 0.00 -0.26 0.00 0.00 57.72 57.06 3mx6 n HIS 30 Cb 0.21 -0.20 -0.03 0.00 1.12 0.00 0.00 29.99 31.08 3mx6 n HIS 30 CO 0.00 0.00 0.00 0.08 0.64 0.00 0.00 176.34 177.06 3mx6 s VAL 31 N -2.96 4.14 0.12 1.59 1.01 -1.04 -4.93 120.40 118.33 3mx6 s VAL 31 Ca 0.11 0.49 -0.07 0.00 0.00 0.00 0.00 61.98 62.52 3mx6 s VAL 31 Cb 0.17 -4.68 -0.01 0.00 0.00 0.00 0.00 36.38 31.86 3mx6 s VAL 31 CO 0.71 -1.34 0.17 -0.54 0.00 0.00 0.00 175.10 174.11 3mx6 s LYS 32 N 4.60 0.93 0.48 2.72 1.02 -1.26 -4.77 119.74 123.46 3mx6 s LYS 32 Ca 0.35 -1.14 -0.24 0.00 0.02 0.00 0.00 55.97 54.97 3mx6 s LYS 32 Cb -0.10 0.32 -0.08 0.00 -0.52 0.00 0.00 37.83 37.45 3mx6 s LYS 32 CO 0.20 -0.30 1.30 -2.30 -0.92 0.00 0.00 175.35 173.33 3mx6 n PRO 33 N -0.09 1.83 -0.66 -1.68 -0.02 -1.26 -2.76 135.00 130.36 3mx6 n PRO 33 Ca -0.11 0.66 0.00 0.00 -2.02 0.00 0.00 63.50 62.03 3mx6 n PRO 33 Cb 0.63 -2.46 0.00 0.00 -0.02 0.00 0.00 33.50 31.64 3mx6 n PRO 33 CO 0.00 0.00 0.00 0.09 1.98 0.00 0.00 175.50 177.57 3mx6 n ASN 34 N -0.29 0.00 -4.78 2.55 3.02 0.44 -4.95 115.26 111.25 3mx6 n ASN 34 Ca 0.08 0.00 -0.39 0.00 -0.03 0.00 0.00 54.58 54.24 3mx6 n ASN 34 Cb 0.42 -0.12 -0.06 0.00 -0.61 0.00 0.00 39.78 39.41 3mx6 n ASN 34 CO 0.00 0.00 0.00 -0.69 -2.62 0.00 0.00 177.26 173.95 3mx6 s VAL 35 N -3.52 4.32 0.33 2.41 1.01 -1.11 -4.64 120.40 119.20 3mx6 s VAL 35 Ca 0.00 1.74 -0.06 0.00 0.00 0.00 0.00 61.98 63.65 3mx6 s VAL 35 Cb 0.00 -4.12 -0.05 0.00 0.00 0.00 0.00 36.38 32.20 3mx6 s VAL 35 CO 0.00 0.44 0.62 0.42 0.00 0.00 0.00 175.10 176.58 3mx6 s THR 36 N -1.25 4.96 0.43 3.92 -4.23 -1.26 -0.89 115.64 117.30 3mx6 s THR 36 Ca 0.39 0.19 0.19 0.00 -1.18 0.00 0.00 61.69 61.28 3mx6 s THR 36 Cb -0.22 -3.74 0.21 0.00 1.34 0.00 0.00 72.50 70.08 3mx6 s THR 36 CO 0.26 -0.41 2.00 0.71 -0.54 0.00 0.00 174.62 176.64 3mx6 h THR 37 N 1.20 0.95 -0.77 3.99 1.35 -1.68 -2.29 112.91 115.66 3mx6 h THR 37 Ca -0.48 -0.67 0.00 0.00 -0.55 0.00 0.00 66.41 64.72 3mx6 h THR 37 Cb 1.19 1.38 -0.04 0.00 -1.73 0.00 0.00 68.15 68.95 3mx6 h THR 37 CO 0.65 0.18 0.48 0.78 -0.25 0.00 0.00 175.52 177.36 3mx6 h ASN 38 N 0.00 0.91 -0.66 5.36 2.35 -1.47 0.74 115.58 122.81 3mx6 h ASN 38 Ca -0.00 -0.05 0.03 0.00 -0.55 0.00 0.00 56.30 55.73 3mx6 h ASN 38 Cb 0.36 -0.23 -0.04 0.00 0.05 0.00 0.00 38.32 38.47 3mx6 h ASN 38 CO 0.02 0.69 0.41 0.28 -1.65 0.00 0.00 177.43 177.18 3mx6 h SER 39 N 1.05 0.67 -0.57 5.81 0.02 -1.70 -2.22 113.55 116.61 3mx6 h SER 39 Ca 0.28 0.00 -0.10 0.00 -0.84 0.00 0.00 61.79 61.13 3mx6 h SER 39 Cb -0.07 -0.14 -0.02 0.00 0.14 0.00 0.00 62.40 62.31 3mx6 h SER 39 CO -0.06 0.47 -0.03 -0.07 -1.14 0.00 0.00 176.83 176.00 3mx6 h LEU 40 N 0.80 1.02 -0.72 5.07 3.38 -1.09 -1.77 115.31 122.00 3mx6 h LEU 40 Ca 0.26 -0.30 0.07 0.00 0.09 0.00 0.00 57.88 58.00 3mx6 h LEU 40 Cb 0.02 -0.27 -0.06 0.00 0.09 0.00 0.00 40.66 40.43 3mx6 h LEU 40 CO -0.10 1.08 0.41 -1.13 0.09 0.00 0.00 178.44 178.78 3mx6 h ASN 41 N 0.94 0.60 -0.32 -0.43 -1.24 -0.62 -1.43 115.58 113.08 3mx6 h ASN 41 Ca 0.16 0.03 -0.15 0.00 0.71 0.00 0.00 56.30 57.06 3mx6 h ASN 41 Cb 0.58 -0.09 -0.01 0.00 0.73 0.00 0.00 38.32 39.54 3mx6 h ASN 41 CO 0.03 0.38 -0.36 0.44 -1.29 0.00 0.00 177.43 176.64 3mx6 h ASP 42 N 0.73 0.91 -0.42 1.15 3.32 -1.13 0.15 116.42 121.13 3mx6 h ASP 42 Ca 0.33 -0.40 0.00 0.00 0.02 0.00 0.00 57.03 56.98 3mx6 h ASP 42 Cb 0.22 -0.26 -0.02 0.00 0.22 0.00 0.00 39.33 39.49 3mx6 h ASP 42 CO -0.20 1.17 0.27 -0.07 -1.72 0.00 0.00 179.24 178.70 3mx6 h LEU 43 N 0.71 0.50 -0.36 1.55 3.38 -1.11 -1.81 115.31 118.17 3mx6 h LEU 43 Ca 0.07 -0.03 -0.18 0.00 0.09 0.00 0.00 57.88 57.83 3mx6 h LEU 43 Cb 0.93 -0.12 -0.00 0.00 0.09 0.00 0.00 40.66 41.55 3mx6 h LEU 43 CO 0.09 0.37 -0.51 0.00 0.09 0.00 0.00 178.44 178.48 3mx6 h HIS 45 N 0.66 -0.03 0.00 0.00 -0.00 -0.49 -0.12 115.15 115.17 3mx6 h HIS 45 Ca 0.02 0.02 -0.14 0.00 -0.00 0.00 0.00 60.37 60.27 3mx6 h HIS 45 Cb 1.11 0.05 -0.02 0.00 -0.00 0.00 0.00 27.41 28.55 3mx6 h HIS 45 CO 0.07 -0.05 -0.66 -0.91 -0.00 0.00 0.00 177.93 176.38 3mx6 h ASN 46 N 0.07 0.00 0.06 3.26 2.35 -1.30 -1.55 115.58 118.46 3mx6 h ASN 46 Ca 0.12 0.00 -0.00 0.00 -0.55 0.00 0.00 56.30 55.86 3mx6 h ASN 46 Cb 0.16 0.00 0.00 0.00 0.05 0.00 0.00 38.32 38.53 3mx6 h ASN 46 CO -0.21 0.66 -0.03 0.15 -1.65 0.00 0.00 177.43 176.36 3mx6 h PHE 47 N 0.00 -0.07 0.09 1.19 3.57 -1.08 -1.69 116.94 118.96 3mx6 h PHE 47 Ca -0.01 -0.00 0.00 0.00 3.53 0.00 0.00 57.97 61.49 3mx6 h PHE 47 Cb 1.21 0.02 -0.01 0.00 2.79 0.00 0.00 35.95 39.97 3mx6 h PHE 47 CO 0.00 0.03 -0.08 0.82 -2.23 0.00 0.00 178.31 176.85 3mx6 h ILE 48 N -0.16 0.83 0.00 1.41 2.04 -0.76 -2.88 117.51 117.99 3mx6 h ILE 48 Ca -0.01 0.00 -0.09 0.00 1.00 0.00 0.00 64.86 65.76 3mx6 h ILE 48 Cb 0.14 0.83 -0.01 0.00 -0.74 0.00 0.00 36.82 37.03 3mx6 h ILE 48 CO 0.01 0.00 -0.42 0.71 0.00 0.00 0.00 178.15 178.45 3mx6 h THR 49 N -0.18 1.16 0.00 -0.27 1.35 -1.30 -1.93 112.91 111.74 3mx6 h THR 49 Ca -0.00 -1.52 0.00 0.00 -0.55 0.00 0.00 66.41 64.34 3mx6 h THR 49 Cb 0.17 1.85 0.00 0.00 -1.73 0.00 0.00 68.15 68.44 3mx6 h THR 49 CO -0.01 0.42 0.00 -1.54 -0.25 0.00 0.00 175.52 174.13 3mx6 n SER 50 N -3.83 0.00 -1.51 5.36 3.41 -0.64 -2.03 113.62 114.39 3mx6 n SER 50 Ca -0.01 0.35 -0.03 0.00 -0.26 0.00 0.00 58.87 58.92 3mx6 n SER 50 Cb 0.48 -0.44 0.26 0.00 -0.26 0.00 0.00 64.21 64.24 3mx6 n SER 50 CO 0.00 0.00 0.00 1.41 -0.16 0.00 0.00 175.04 176.29 3mx6 n HIS 51 N -1.44 1.75 -3.78 7.33 -0.00 -0.74 -4.96 115.22 113.38 3mx6 n HIS 51 Ca 0.08 -1.28 -0.28 0.00 -0.00 0.00 0.00 57.72 56.23 3mx6 n HIS 51 Cb 0.27 -0.56 0.04 0.00 -0.00 0.00 0.00 29.99 29.74 3mx6 n HIS 51 CO 0.00 0.00 0.00 0.09 -0.00 0.00 0.00 176.34 176.43 3mx6 n ASN 52 N -0.60 -5.42 -4.39 0.41 3.02 -0.86 -4.99 115.26 102.44 3mx6 n ASN 52 Ca 0.36 -0.68 -0.19 0.00 -0.03 0.00 0.00 54.58 54.03 3mx6 n ASN 52 Cb 1.19 -4.30 -0.10 0.00 -0.61 0.00 0.00 39.78 35.96 3mx6 n ASN 52 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 3mx6 s ALA 53 N -3.30 2.09 -0.09 5.41 0.00 -1.11 -4.72 121.76 120.04 3mx6 s ALA 53 Ca 0.63 -1.92 0.01 0.00 0.00 0.00 0.00 51.96 50.69 3mx6 s ALA 53 Cb -0.30 0.59 -0.02 0.00 0.00 0.00 0.00 23.12 23.38 3mx6 s ALA 53 CO 0.78 -0.28 -0.12 0.42 0.00 0.00 0.00 175.76 176.57 3mx6 s ILE 54 N -3.36 3.24 -0.43 0.00 -1.09 -0.72 -3.77 121.20 115.08 3mx6 s ILE 54 Ca 0.33 -0.63 -0.29 0.00 -2.23 0.00 0.00 60.65 57.84 3mx6 s ILE 54 Cb 0.07 -2.33 0.01 0.00 -1.58 0.00 0.00 42.46 38.63 3mx6 s ILE 54 CO 0.12 0.56 1.37 -2.16 -1.23 0.00 0.00 174.94 173.60 3mx6 s PRO 55 N -0.23 3.58 0.38 2.79 0.04 -1.26 -0.14 135.00 140.16 3mx6 s PRO 55 Ca 0.02 0.86 0.09 0.00 0.04 0.00 0.00 61.00 62.00 3mx6 s PRO 55 Cb -0.13 -4.01 0.83 0.00 0.04 0.00 0.00 34.50 31.23 3mx6 s PRO 55 CO 0.03 -1.56 1.93 0.00 0.04 0.00 0.00 177.00 177.45 3mx6 h ALA 56 N 10.50 1.82 0.00 8.56 0.00 -1.37 -2.36 119.26 136.41 3mx6 h ALA 56 Ca -0.27 -0.01 -0.02 0.00 0.00 0.00 0.00 54.91 54.61 3mx6 h ALA 56 Cb 1.10 -0.15 -0.00 0.00 0.00 0.00 0.00 17.79 18.74 3mx6 h ALA 56 CO 1.10 0.02 -0.09 -1.35 0.00 0.00 0.00 179.25 178.92 3mx6 h PRO 57 N 0.66 0.00 -6.22 0.00 0.11 -1.76 -3.38 132.00 121.41 3mx6 h PRO 57 Ca 0.35 0.00 -0.57 0.00 0.11 0.00 0.00 66.00 65.89 3mx6 h PRO 57 Cb 0.47 0.00 -0.01 0.00 0.11 0.00 0.00 31.00 31.57 3mx6 h PRO 57 CO -0.13 0.09 1.26 -1.17 -0.21 0.00 0.00 178.00 177.85 3mx6 s LEU 58 N -6.64 3.81 -1.67 2.35 2.96 -0.89 -1.07 118.68 117.52 3mx6 s LEU 58 Ca -0.01 1.81 0.00 0.00 -0.22 0.00 0.00 54.13 55.71 3mx6 s LEU 58 Cb 0.11 -3.53 0.00 0.00 0.50 0.00 0.00 46.19 43.27 3mx6 s LEU 58 CO 0.56 -1.47 0.00 -3.20 -1.32 0.00 0.00 176.35 170.92 3mx6 n ASN 59 N 9.39 -5.54 -4.62 3.68 5.15 0.48 -4.96 115.26 118.85 3mx6 n ASN 59 Ca 0.22 0.39 -0.43 0.00 -0.60 0.00 0.00 54.58 54.17 3mx6 n ASN 59 Cb 0.45 -4.43 -0.03 0.00 -0.53 0.00 0.00 39.78 35.25 3mx6 n ASN 59 CO 0.00 0.00 0.00 -0.47 1.40 0.00 0.00 177.26 178.19 3mx6 s TYR 60 N -2.37 1.89 -1.31 1.20 5.04 -0.23 -2.43 117.35 119.13 3mx6 s TYR 60 Ca 0.00 0.53 -0.05 0.00 -2.44 0.00 0.00 57.07 55.11 3mx6 s TYR 60 Cb 0.00 -4.06 0.03 0.00 0.35 0.00 0.00 41.96 38.28 3mx6 s TYR 60 CO 0.00 -3.12 0.37 1.63 -1.34 0.00 0.00 175.55 173.09 3mx6 n LYS 61 N 8.05 -3.40 -0.88 4.97 5.02 -1.26 -0.96 118.16 129.70 3mx6 n LYS 61 Ca 0.21 0.64 0.00 0.00 -2.02 0.00 0.00 58.31 57.14 3mx6 n LYS 61 Cb 0.46 -5.36 0.00 0.00 -0.02 0.00 0.00 35.03 30.11 3mx6 n LYS 61 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 3mx6 n GLY 62 N -1.16 0.92 3.65 0.72 0.00 -1.02 -5.02 105.19 103.28 3mx6 n GLY 62 Ca -0.08 0.00 -0.47 0.00 0.00 0.00 0.00 46.02 45.46 3mx6 n GLY 62 CO 0.00 0.00 0.00 0.33 0.00 0.00 0.00 173.32 173.65 3mx6 n PHE 63 N -2.05 2.08 1.06 1.61 -0.00 -0.14 -4.74 117.46 115.29 3mx6 n PHE 63 Ca 0.00 0.37 0.10 0.00 -0.00 0.00 0.00 57.45 57.92 3mx6 n PHE 63 Cb 0.00 -2.48 0.33 0.00 -0.00 0.00 0.00 39.48 37.33 3mx6 n PHE 63 CO 0.00 0.00 0.00 -0.35 -0.00 0.00 0.00 176.76 176.41 3mx6 n PRO 64 N 3.07 1.85 -4.36 -7.13 -0.04 -1.26 -0.39 135.00 126.74 3mx6 n PRO 64 Ca 0.17 -1.29 -0.21 0.00 -0.04 0.00 0.00 63.50 62.13 3mx6 n PRO 64 Cb 0.27 -1.40 -0.08 0.00 -0.04 0.00 0.00 33.50 32.24 3mx6 n PRO 64 CO 0.00 0.00 0.00 0.15 -0.04 0.00 0.00 175.50 175.61 3mx6 s LYS 65 N -1.73 1.79 0.03 0.54 -0.14 -1.26 -4.88 119.74 114.09 3mx6 s LYS 65 Ca 0.33 -2.06 0.22 0.00 -1.36 0.00 0.00 55.97 53.10 3mx6 s LYS 65 Cb 0.18 0.01 -0.25 0.00 -1.68 0.00 0.00 37.83 36.09 3mx6 s LYS 65 CO 0.26 -0.58 0.63 0.43 -0.76 0.00 0.00 175.35 175.33 3mx6 n SER 66 N -1.41 0.23 -4.29 2.83 7.64 -1.26 -2.82 113.62 114.54 3mx6 n SER 66 Ca 0.03 0.04 -0.15 0.00 1.01 0.00 0.00 58.87 59.80 3mx6 n SER 66 Cb 0.63 1.59 -0.10 0.00 -1.01 0.00 0.00 64.21 65.32 3mx6 n SER 66 CO 0.00 0.00 0.00 0.27 -3.01 0.00 0.00 175.04 172.30 3mx6 s ILE 67 N -3.46 0.64 -0.11 0.44 -4.36 -1.26 -4.25 121.20 108.84 3mx6 s ILE 67 Ca -0.06 -1.99 -0.03 0.00 -0.26 0.00 0.00 60.65 58.31 3mx6 s ILE 67 Cb 0.13 -2.42 -0.03 0.00 1.25 0.00 0.00 42.46 41.39 3mx6 s ILE 67 CO 0.88 -0.21 0.01 0.00 0.24 0.00 0.00 174.94 175.86 3mx6 s THR 69 N -0.63 0.89 -0.23 0.00 -4.23 -0.48 -1.21 115.64 109.75 3mx6 s THR 69 Ca 0.10 -0.45 0.02 0.00 -1.18 0.00 0.00 61.69 60.18 3mx6 s THR 69 Cb -0.12 -1.10 0.04 0.00 1.34 0.00 0.00 72.50 72.67 3mx6 s THR 69 CO 0.02 0.13 -0.13 -0.44 -0.54 0.00 0.00 174.62 173.66 3mx6 s SER 70 N 1.73 4.00 -0.16 3.99 0.01 -0.52 -3.89 113.70 118.87 3mx6 s SER 70 Ca 0.02 -1.09 -0.07 0.00 1.31 0.00 0.00 55.95 56.11 3mx6 s SER 70 Cb -0.15 -1.54 -0.04 0.00 0.21 0.00 0.00 66.02 64.50 3mx6 s SER 70 CO -0.07 -0.12 0.09 -0.63 0.41 0.00 0.00 173.24 172.92 3mx6 s ILE 71 N 1.19 5.08 0.00 1.44 1.01 -1.26 -0.59 121.20 128.06 3mx6 s ILE 71 Ca -0.03 0.06 0.00 0.00 0.00 0.00 0.00 60.65 60.68 3mx6 s ILE 71 Cb -0.17 -3.25 0.00 0.00 0.01 0.00 0.00 42.46 39.04 3mx6 s ILE 71 CO -0.08 0.52 0.00 0.59 0.00 0.00 0.00 174.94 175.97 3mx6 n ASN 72 N 2.91 0.00 -0.06 3.58 3.02 -0.32 -1.22 115.26 123.17 3mx6 n ASN 72 Ca -0.18 0.00 0.15 0.00 -0.03 0.00 0.00 54.58 54.52 3mx6 n ASN 72 Cb 0.53 0.00 0.83 0.00 -0.61 0.00 0.00 39.78 40.53 3mx6 n ASN 72 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 3mx6 n HIS 73 N 0.36 0.00 -2.33 3.10 1.44 -1.26 -2.41 115.22 114.12 3mx6 n HIS 73 Ca 0.00 -0.00 -0.42 0.00 -2.01 0.00 0.00 57.72 55.29 3mx6 n HIS 73 Cb 0.00 0.00 -0.03 0.00 0.12 0.00 0.00 29.99 30.08 3mx6 n HIS 73 CO 0.00 0.00 0.00 0.08 -2.81 0.00 0.00 176.34 173.61 3mx6 s VAL 74 N -2.00 3.81 -0.13 0.61 1.01 -0.36 -1.59 120.40 121.75 3mx6 s VAL 74 Ca 0.44 1.28 -0.18 0.00 0.00 0.00 0.00 61.98 63.52 3mx6 s VAL 74 Cb 0.20 -3.82 -0.25 0.00 0.00 0.00 0.00 36.38 32.51 3mx6 s VAL 74 CO 0.34 0.09 0.50 0.58 0.00 0.00 0.00 175.10 176.61 3mx6 h VAL 75 N 4.49 1.07 -2.21 2.92 2.07 -0.44 -3.41 116.25 120.74 3mx6 h VAL 75 Ca -0.41 -2.35 0.17 0.00 0.82 0.00 0.00 66.70 64.93 3mx6 h VAL 75 Cb 1.21 2.67 -0.12 0.00 -1.52 0.00 0.00 31.29 33.53 3mx6 h VAL 75 CO 0.84 0.62 0.53 0.00 0.02 0.00 0.00 177.57 179.58 3mx6 n HIS 77 N -0.37 -0.44 -1.86 0.00 8.25 -1.26 -2.15 115.22 117.39 3mx6 n HIS 77 Ca -0.07 0.00 -0.38 0.00 -0.26 0.00 0.00 57.72 57.01 3mx6 n HIS 77 Cb 0.61 -3.32 0.04 0.00 1.12 0.00 0.00 29.99 28.44 3mx6 n HIS 77 CO 0.00 0.00 0.00 0.20 0.64 0.00 0.00 176.34 177.18 3mx6 s GLY 78 N -2.49 2.86 -0.25 -1.41 0.00 -1.25 -4.03 107.32 100.76 3mx6 s GLY 78 Ca 0.00 1.25 -0.09 0.00 0.00 0.00 0.00 44.72 45.88 3mx6 s GLY 78 CO 0.00 1.75 0.12 -0.42 0.00 0.00 0.00 173.10 174.55 3mx6 s ILE 79 N -1.36 4.86 0.24 0.90 1.01 -1.25 -1.39 121.20 124.21 3mx6 s ILE 79 Ca 0.72 0.01 -0.30 0.00 0.00 0.00 0.00 60.65 61.08 3mx6 s ILE 79 Cb -0.38 -3.28 -0.15 0.00 0.01 0.00 0.00 42.46 38.66 3mx6 s ILE 79 CO 0.45 0.33 1.04 -2.65 0.00 0.00 0.00 174.94 174.10 3mx6 n PRO 80 N 4.67 1.20 -2.87 2.79 -0.02 -1.26 -4.89 135.00 134.62 3mx6 n PRO 80 Ca -0.15 0.42 -0.08 0.00 -2.02 0.00 0.00 63.50 61.67 3mx6 n PRO 80 Cb 0.52 -1.82 -0.01 0.00 -0.02 0.00 0.00 33.50 32.16 3mx6 n PRO 80 CO 0.00 0.00 0.00 0.27 1.98 0.00 0.00 175.50 177.75 3mx6 n ASN 81 N 1.58 -0.81 -0.49 2.55 0.23 -1.26 -4.71 115.26 112.35 3mx6 n ASN 81 Ca 0.12 -2.04 0.04 0.00 -0.53 0.00 0.00 54.58 52.18 3mx6 n ASN 81 Cb 0.29 1.49 0.12 0.00 -2.08 0.00 0.00 39.78 39.60 3mx6 n ASN 81 CO 0.00 0.00 0.00 -0.90 -0.93 0.00 0.00 177.26 175.43 3mx6 n ASP 82 N -1.79 1.43 -4.73 0.53 5.68 -1.26 -1.30 116.55 115.11 3mx6 n ASP 82 Ca -0.00 -1.99 -0.41 0.00 -0.50 0.00 0.00 54.79 51.88 3mx6 n ASP 82 Cb 0.33 -0.18 -0.04 0.00 -1.14 0.00 0.00 41.12 40.09 3mx6 n ASP 82 CO 0.00 0.00 0.00 -0.54 -1.33 0.00 0.00 177.20 175.33 3mx6 s LYS 83 N -1.65 4.68 0.19 0.11 1.02 -1.26 -4.91 119.74 117.92 3mx6 s LYS 83 Ca 0.18 1.43 -0.30 0.00 0.02 0.00 0.00 55.97 57.30 3mx6 s LYS 83 Cb 0.09 -3.38 -0.09 0.00 -0.52 0.00 0.00 37.83 33.93 3mx6 s LYS 83 CO 0.12 0.20 1.35 -2.14 -0.92 0.00 0.00 175.35 173.96 3mx6 s PRO 84 N 0.08 4.36 0.43 -1.68 0.02 -1.26 -3.97 135.00 132.96 3mx6 s PRO 84 Ca 0.47 2.10 -0.25 0.00 0.02 0.00 0.00 61.00 63.34 3mx6 s PRO 84 Cb -0.23 -3.19 -0.08 0.00 0.02 0.00 0.00 34.50 31.02 3mx6 s PRO 84 CO 0.29 -0.31 1.30 -0.51 -0.33 0.00 0.00 177.00 177.44 3mx6 s LEU 85 N 0.03 4.16 0.07 -5.54 1.43 -0.07 -4.83 118.68 113.92 3mx6 s LEU 85 Ca 0.58 2.63 0.07 0.00 -1.03 0.00 0.00 54.13 56.39 3mx6 s LEU 85 Cb -0.38 -3.97 -0.04 0.00 0.03 0.00 0.00 46.19 41.83 3mx6 s LEU 85 CO 0.38 -0.93 -0.15 -0.54 0.23 0.00 0.00 176.35 175.33 3mx6 s LYS 86 N -2.36 2.05 0.09 1.70 1.02 -1.26 -0.42 119.74 120.56 3mx6 s LYS 86 Ca 0.59 -1.02 -0.37 0.00 0.02 0.00 0.00 55.97 55.19 3mx6 s LYS 86 Cb -0.37 -2.22 -0.17 0.00 -0.52 0.00 0.00 37.83 34.55 3mx6 s LYS 86 CO 0.47 0.52 1.29 -1.71 -0.92 0.00 0.00 175.35 175.01 3mx6 n ASN 87 N 1.16 1.44 0.00 2.83 5.15 -1.26 -1.33 115.26 123.25 3mx6 n ASN 87 Ca -0.15 1.13 0.00 0.00 -0.60 0.00 0.00 54.58 54.95 3mx6 n ASN 87 Cb 0.52 -1.17 0.00 0.00 -0.53 0.00 0.00 39.78 38.61 3mx6 n ASN 87 CO 0.00 0.00 0.00 0.61 1.40 0.00 0.00 177.26 179.27 3mx6 n GLY 88 N 2.37 2.14 3.74 8.20 0.00 -0.02 -4.94 105.19 116.68 3mx6 n GLY 88 Ca 0.18 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.87 3mx6 n GLY 88 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 3mx6 s ASP 89 N -1.69 4.53 0.08 1.61 1.01 -0.44 -4.70 116.67 117.07 3mx6 s ASP 89 Ca 0.00 2.18 0.09 0.00 0.71 0.00 0.00 52.55 55.53 3mx6 s ASP 89 Cb 0.00 -2.57 -0.03 0.00 1.01 0.00 0.00 42.92 41.33 3mx6 s ASP 89 CO 0.00 -2.03 -0.24 0.27 0.21 0.00 0.00 175.17 173.38 3mx6 s ILE 90 N -2.20 2.36 -0.02 0.77 -4.36 -1.26 -1.42 121.20 115.07 3mx6 s ILE 90 Ca 0.70 -1.48 -0.01 0.00 -0.26 0.00 0.00 60.65 59.61 3mx6 s ILE 90 Cb -0.25 -1.99 0.02 0.00 1.25 0.00 0.00 42.46 41.49 3mx6 s ILE 90 CO 0.45 0.25 0.05 0.54 0.24 0.00 0.00 174.94 176.47 3mx6 s VAL 91 N -0.94 -0.03 -0.10 8.37 0.11 -0.68 -1.17 120.40 125.95 3mx6 s VAL 91 Ca 0.14 0.13 -0.20 0.00 -2.93 0.00 0.00 61.98 59.11 3mx6 s VAL 91 Cb -0.10 -0.10 -0.04 0.00 -1.53 0.00 0.00 36.38 34.61 3mx6 s VAL 91 CO 0.05 0.05 0.55 0.21 -3.33 0.00 0.00 175.10 172.62 3mx6 s ASN 92 N 0.67 6.78 -0.20 3.54 3.84 0.24 -0.31 114.94 129.51 3mx6 s ASN 92 Ca -0.05 0.94 -0.03 0.00 0.21 0.00 0.00 52.86 53.92 3mx6 s ASN 92 Cb -0.08 -2.33 -0.01 0.00 -0.55 0.00 0.00 41.25 38.29 3mx6 s ASN 92 CO -0.02 -0.03 -0.06 -0.63 -2.79 0.00 0.00 177.10 173.57 3mx6 s ILE 93 N 0.63 3.30 -0.18 -5.21 1.01 -0.63 -1.44 121.20 118.68 3mx6 s ILE 93 Ca 0.29 -0.53 0.01 0.00 0.00 0.00 0.00 60.65 60.43 3mx6 s ILE 93 Cb -0.16 -2.48 0.02 0.00 0.01 0.00 0.00 42.46 39.86 3mx6 s ILE 93 CO 0.13 0.45 -0.18 -0.62 0.00 0.00 0.00 174.94 174.71 3mx6 s ASP 94 N 1.22 3.08 -0.05 3.58 2.15 -0.35 -2.17 116.67 124.14 3mx6 s ASP 94 Ca 0.03 -0.64 0.06 0.00 0.43 0.00 0.00 52.55 52.42 3mx6 s ASP 94 Cb -0.14 -1.41 -0.02 0.00 -0.30 0.00 0.00 42.92 41.05 3mx6 s ASP 94 CO -0.02 -0.02 -0.21 -0.69 -0.17 0.00 0.00 175.17 174.06 3mx6 s VAL 95 N 1.33 2.45 -0.06 1.11 1.01 -0.34 -1.87 120.40 124.03 3mx6 s VAL 95 Ca 0.04 -0.94 0.01 0.00 0.00 0.00 0.00 61.98 61.09 3mx6 s VAL 95 Cb -0.13 -1.91 0.02 0.00 0.00 0.00 0.00 36.38 34.36 3mx6 s VAL 95 CO -0.12 0.58 -0.05 -0.89 0.00 0.00 0.00 175.10 174.62 3mx6 s THR 96 N -0.47 0.60 0.14 3.92 2.01 -1.26 -1.13 115.64 119.45 3mx6 s THR 96 Ca 0.06 -0.13 0.07 0.00 0.31 0.00 0.00 61.69 62.00 3mx6 s THR 96 Cb -0.12 -0.64 -0.04 0.00 0.01 0.00 0.00 72.50 71.72 3mx6 s THR 96 CO 0.01 0.25 -0.06 0.68 -0.69 0.00 0.00 174.62 174.81 3mx6 s VAL 97 N 1.12 3.48 -0.19 3.82 -7.23 -0.67 -1.06 120.40 119.67 3mx6 s VAL 97 Ca -0.08 -1.40 -0.02 0.00 -1.81 0.00 0.00 61.98 58.68 3mx6 s VAL 97 Cb -0.14 -2.70 -0.00 0.00 0.56 0.00 0.00 36.38 34.10 3mx6 s VAL 97 CO -0.01 -0.02 -0.09 -0.63 -0.31 0.00 0.00 175.10 174.04 3mx6 s ILE 98 N -1.51 3.05 -0.17 -0.62 1.01 0.80 -1.27 121.20 122.50 3mx6 s ILE 98 Ca 0.25 -0.61 -0.01 0.00 0.00 0.00 0.00 60.65 60.27 3mx6 s ILE 98 Cb -0.10 -2.35 0.05 0.00 0.01 0.00 0.00 42.46 40.07 3mx6 s ILE 98 CO 0.16 0.47 -0.03 -0.22 0.00 0.00 0.00 174.94 175.32 3mx6 s LEU 99 N 1.18 1.51 -1.41 2.97 2.96 -0.25 -1.76 118.68 123.89 3mx6 s LEU 99 Ca 0.02 -0.70 -0.10 0.00 -0.22 0.00 0.00 54.13 53.12 3mx6 s LEU 99 Cb -0.14 -0.82 0.07 0.00 0.50 0.00 0.00 46.19 45.80 3mx6 s LEU 99 CO -0.03 -0.22 0.64 0.47 -1.32 0.00 0.00 176.35 175.89 3mx6 n ASP 100 N 4.92 -4.37 0.00 3.68 8.00 -1.26 -2.05 116.55 125.47 3mx6 n ASP 100 Ca -0.11 -0.49 0.00 0.00 0.71 0.00 0.00 54.79 54.90 3mx6 n ASP 100 Cb 0.47 -3.56 0.00 0.00 -0.02 0.00 0.00 41.12 38.01 3mx6 n ASP 100 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 3mx6 n GLY 101 N -1.36 0.77 3.51 0.44 0.00 -1.26 -5.05 105.19 102.24 3mx6 n GLY 101 Ca -0.01 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.68 3mx6 n GLY 101 CO 0.00 0.00 0.00 -0.98 0.00 0.00 0.00 173.32 172.34 3mx6 s TRP 102 N -3.06 2.76 -0.18 1.61 0.52 -0.87 -4.34 118.94 115.36 3mx6 s TRP 102 Ca 0.00 -0.12 -0.10 0.00 0.02 0.00 0.00 56.10 55.90 3mx6 s TRP 102 Cb 0.00 -1.62 -0.05 0.00 -1.15 0.00 0.00 33.47 30.65 3mx6 s TRP 102 CO 0.00 0.25 0.15 0.71 0.02 0.00 0.00 176.95 178.08 3mx6 s TYR 103 N -0.82 3.44 -0.18 -1.98 1.51 -0.11 -1.09 117.35 118.12 3mx6 s TYR 103 Ca 0.13 0.38 0.00 0.00 -1.01 0.00 0.00 57.07 56.58 3mx6 s TYR 103 Cb -0.11 -2.15 0.02 0.00 -0.11 0.00 0.00 41.96 39.61 3mx6 s TYR 103 CO 0.02 0.35 -0.18 0.20 -1.11 0.00 0.00 175.55 174.83 3mx6 s GLY 104 N 0.17 1.42 -0.15 0.71 0.00 -0.39 -4.64 107.32 104.43 3mx6 s GLY 104 Ca 0.10 -1.21 0.00 0.00 0.00 0.00 0.00 44.72 43.61 3mx6 s GLY 104 CO -0.01 0.30 -0.15 -0.35 0.00 0.00 0.00 173.10 172.89 3mx6 s ASP 105 N 1.31 2.77 -0.08 1.64 -1.08 -1.26 -1.67 116.67 118.29 3mx6 s ASP 105 Ca 0.05 -0.52 -0.23 0.00 -0.52 0.00 0.00 52.55 51.33 3mx6 s ASP 105 Cb -0.13 -1.22 0.05 0.00 -1.46 0.00 0.00 42.92 40.16 3mx6 s ASP 105 CO -0.12 -0.05 0.54 0.28 0.52 0.00 0.00 175.17 176.34 3mx6 s THR 106 N 1.46 0.02 0.05 1.71 -1.32 -0.28 -2.87 115.64 114.40 3mx6 s THR 106 Ca 0.05 -0.14 -0.00 0.00 -1.21 0.00 0.00 61.69 60.38 3mx6 s THR 106 Cb -0.13 -0.82 -0.04 0.00 -1.51 0.00 0.00 72.50 70.00 3mx6 s THR 106 CO -0.11 -0.08 -0.04 -0.94 -2.21 0.00 0.00 174.62 171.24 3mx6 s SER 107 N -0.82 0.55 0.06 8.08 1.04 -1.00 -1.20 113.70 120.41 3mx6 s SER 107 Ca -0.09 -0.92 -0.04 0.00 0.48 0.00 0.00 55.95 55.38 3mx6 s SER 107 Cb -0.03 0.17 -0.02 0.00 0.10 0.00 0.00 66.02 66.24 3mx6 s SER 107 CO 0.06 -0.53 0.07 -0.13 0.98 0.00 0.00 173.24 173.69 3mx6 s ARG 108 N -3.48 0.68 0.14 4.02 0.52 -0.92 -1.97 118.95 117.95 3mx6 s ARG 108 Ca 0.04 -1.05 -0.12 0.00 -0.52 0.00 0.00 55.73 54.08 3mx6 s ARG 108 Cb 0.04 0.26 -0.07 0.00 0.52 0.00 0.00 34.95 35.71 3mx6 s ARG 108 CO -0.08 -0.17 0.51 -1.64 0.02 0.00 0.00 175.30 173.94 3mx6 s MET 109 N -3.68 3.88 0.01 3.54 -1.94 -1.26 -1.60 119.30 118.26 3mx6 s MET 109 Ca 0.04 0.36 0.03 0.00 -1.71 0.00 0.00 55.69 54.41 3mx6 s MET 109 Cb 0.05 -2.89 -0.01 0.00 2.01 0.00 0.00 34.83 33.99 3mx6 s MET 109 CO -0.09 0.47 -0.10 0.71 -0.01 0.00 0.00 175.02 175.99 3mx6 s TYR 110 N -1.52 0.88 0.24 -0.03 2.02 0.58 -4.39 117.35 115.12 3mx6 s TYR 110 Ca 0.38 -0.26 -0.25 0.00 -0.37 0.00 0.00 57.07 56.57 3mx6 s TYR 110 Cb -0.14 -0.54 -0.09 0.00 -0.40 0.00 0.00 41.96 40.79 3mx6 s TYR 110 CO 0.19 -0.01 0.84 0.71 -1.57 0.00 0.00 175.55 175.71 3mx6 s TYR 111 N -0.58 3.80 -0.36 2.71 2.02 -1.26 -1.69 117.35 121.99 3mx6 s TYR 111 Ca 0.01 1.67 -0.08 0.00 -0.37 0.00 0.00 57.07 58.30 3mx6 s TYR 111 Cb -0.06 -2.81 0.04 0.00 -0.40 0.00 0.00 41.96 38.73 3mx6 s TYR 111 CO 0.00 0.38 0.15 0.08 -1.57 0.00 0.00 175.55 174.59 3mx6 s VAL 112 N -1.37 4.03 0.00 0.71 1.01 -0.50 -4.82 120.40 119.45 3mx6 s VAL 112 Ca 0.42 -1.11 0.00 0.00 0.00 0.00 0.00 61.98 61.30 3mx6 s VAL 112 Cb -0.21 -3.30 0.00 0.00 0.00 0.00 0.00 36.38 32.87 3mx6 s VAL 112 CO 0.25 -0.24 0.00 0.61 0.00 0.00 0.00 175.10 175.72 3mx6 n GLY 113 N 4.87 2.99 3.61 4.51 0.00 -1.26 -0.84 105.19 119.07 3mx6 n GLY 113 Ca -0.12 -0.31 -0.41 0.00 0.00 0.00 0.00 46.02 45.19 3mx6 n GLY 113 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 3mx6 s ASP 114 N -4.00 6.47 -0.06 1.61 1.01 -1.26 -4.80 116.67 115.65 3mx6 s ASP 114 Ca 0.00 0.47 -0.01 0.00 0.71 0.00 0.00 52.55 53.72 3mx6 s ASP 114 Cb 0.00 -2.31 -0.03 0.00 1.01 0.00 0.00 42.92 41.59 3mx6 s ASP 114 CO 0.00 -0.40 0.00 -0.69 0.21 0.00 0.00 175.17 174.30 3mx6 s VAL 115 N 2.47 4.27 0.79 -1.27 1.01 -1.26 -2.88 120.40 123.53 3mx6 s VAL 115 Ca 0.23 -0.36 -0.11 0.00 0.00 0.00 0.00 61.98 61.75 3mx6 s VAL 115 Cb -0.15 -2.83 0.07 0.00 0.00 0.00 0.00 36.38 33.46 3mx6 s VAL 115 CO 0.10 0.53 1.09 0.00 0.00 0.00 0.00 175.10 176.82 3mx6 s ALA 116 N -0.95 2.15 0.21 5.51 0.00 -1.26 -4.89 121.76 122.53 3mx6 s ALA 116 Ca 0.15 0.17 -0.10 0.00 0.00 0.00 0.00 51.96 52.18 3mx6 s ALA 116 Cb -0.11 -3.24 0.27 0.00 0.00 0.00 0.00 23.12 20.04 3mx6 s ALA 116 CO 0.05 -1.83 1.74 0.82 0.00 0.00 0.00 175.76 176.54 3mx6 h ILE 117 N -1.17 0.77 -0.29 0.00 2.04 -1.99 -2.51 117.51 114.36 3mx6 h ILE 117 Ca -0.45 -0.14 -0.06 0.00 1.00 0.00 0.00 64.86 65.22 3mx6 h ILE 117 Cb 1.24 0.33 -0.01 0.00 -0.74 0.00 0.00 36.82 37.64 3mx6 h ILE 117 CO 0.53 0.07 -0.04 0.11 0.00 0.00 0.00 178.15 178.82 3mx6 h LYS 118 N 0.40 0.53 -0.79 2.37 1.57 -2.00 -1.04 116.57 117.62 3mx6 h LYS 118 Ca 0.30 -0.19 0.00 0.00 -1.87 0.00 0.00 60.65 58.90 3mx6 h LYS 118 Cb 0.37 -0.04 -0.04 0.00 0.08 0.00 0.00 32.23 32.61 3mx6 h LYS 118 CO -0.30 0.71 0.50 -1.35 -0.57 0.00 0.00 179.45 178.44 3mx6 h PRO 119 N 0.30 1.05 -0.32 3.15 0.11 -1.94 -1.94 132.00 132.42 3mx6 h PRO 119 Ca 0.08 -0.08 -0.05 0.00 0.11 0.00 0.00 66.00 66.06 3mx6 h PRO 119 Cb 0.50 -0.23 -0.02 0.00 0.11 0.00 0.00 31.00 31.36 3mx6 h PRO 119 CO 0.02 0.71 -0.03 0.87 -0.21 0.00 0.00 178.00 179.37 3mx6 h LYS 120 N 1.08 0.49 -0.24 1.05 1.57 -0.98 -1.58 116.57 117.96 3mx6 h LYS 120 Ca 0.29 -0.11 -0.07 0.00 -1.87 0.00 0.00 60.65 58.89 3mx6 h LYS 120 Cb -0.09 -0.07 -0.01 0.00 0.08 0.00 0.00 32.23 32.14 3mx6 h LYS 120 CO -0.06 0.54 -0.12 -0.09 -0.57 0.00 0.00 179.45 179.16 3mx6 h ARG 121 N 0.47 0.50 -0.13 3.15 2.43 -0.67 -2.03 114.38 118.11 3mx6 h ARG 121 Ca 0.10 -0.22 0.03 0.00 -0.81 0.00 0.00 59.98 59.08 3mx6 h ARG 121 Cb 0.35 -0.01 -0.03 0.00 -0.42 0.00 0.00 29.97 29.86 3mx6 h ARG 121 CO 0.01 0.77 -0.04 1.25 -1.51 0.00 0.00 179.97 180.45 3mx6 h LEU 122 N 0.22 -0.14 -0.30 3.80 5.85 -1.09 -0.72 115.31 122.92 3mx6 h LEU 122 Ca 0.05 0.04 0.06 0.00 0.84 0.00 0.00 57.88 58.88 3mx6 h LEU 122 Cb 0.62 0.09 -0.06 0.00 0.37 0.00 0.00 40.66 41.68 3mx6 h LEU 122 CO 0.04 -0.05 -0.10 0.40 -0.34 0.00 0.00 178.44 178.38 3mx6 h ILE 123 N -0.01 0.65 -0.32 4.05 2.04 -1.28 -1.41 117.51 121.22 3mx6 h ILE 123 Ca 0.07 0.00 -0.01 0.00 1.00 0.00 0.00 64.86 65.92 3mx6 h ILE 123 Cb 0.11 0.65 -0.02 0.00 -0.74 0.00 0.00 36.82 36.82 3mx6 h ILE 123 CO -0.14 0.00 0.18 -0.61 0.00 0.00 0.00 178.15 177.57 3mx6 h GLN 124 N -0.03 0.45 -0.89 2.37 5.75 -0.98 -1.54 115.11 120.24 3mx6 h GLN 124 Ca 0.15 -0.05 0.07 0.00 -0.15 0.00 0.00 58.65 58.67 3mx6 h GLN 124 Cb 0.26 -0.09 -0.07 0.00 1.07 0.00 0.00 27.48 28.66 3mx6 h GLN 124 CO -0.33 0.38 0.55 0.28 -2.65 0.00 0.00 178.83 177.06 3mx6 h VAL 125 N 0.40 1.03 -0.30 2.39 2.07 -1.05 -1.04 116.25 119.76 3mx6 h VAL 125 Ca 0.11 -0.34 -0.01 0.00 0.82 0.00 0.00 66.70 67.28 3mx6 h VAL 125 Cb 0.06 -0.05 -0.01 0.00 -1.52 0.00 0.00 31.29 29.77 3mx6 h VAL 125 CO -0.02 0.18 0.14 0.74 0.02 0.00 0.00 177.57 178.63 3mx6 h THR 126 N 0.99 1.16 -0.10 2.57 2.02 -0.76 0.76 112.91 119.56 3mx6 h THR 126 Ca 0.39 -0.47 0.02 0.00 0.77 0.00 0.00 66.41 67.13 3mx6 h THR 126 Cb 0.21 0.93 -0.02 0.00 -1.74 0.00 0.00 68.15 67.52 3mx6 h THR 126 CO -0.19 0.17 -0.03 0.22 0.37 0.00 0.00 175.52 176.06 3mx6 h TYR 127 N 0.34 -0.07 -0.87 3.16 3.20 -1.04 -1.78 116.97 119.91 3mx6 h TYR 127 Ca 0.10 0.01 0.03 0.00 3.14 0.00 0.00 58.73 62.01 3mx6 h TYR 127 Cb 0.14 0.05 -0.05 0.00 1.54 0.00 0.00 36.73 38.40 3mx6 h TYR 127 CO -0.02 -0.05 0.56 -0.44 -1.64 0.00 0.00 178.16 176.57 3mx6 h ASP 128 N -0.01 0.93 -0.24 -2.11 3.32 -0.96 -1.83 116.42 115.51 3mx6 h ASP 128 Ca 0.05 -0.01 -0.03 0.00 0.02 0.00 0.00 57.03 57.07 3mx6 h ASP 128 Cb 0.09 -0.21 -0.01 0.00 0.22 0.00 0.00 39.33 39.42 3mx6 h ASP 128 CO -0.11 0.64 0.04 0.00 -1.72 0.00 0.00 179.24 178.09 3mx6 h ALA 129 N 1.36 0.32 -0.65 3.45 0.00 -0.61 -0.31 119.26 122.83 3mx6 h ALA 129 Ca 0.35 -0.18 0.13 0.00 0.00 0.00 0.00 54.91 55.21 3mx6 h ALA 129 Cb 0.01 -0.09 -0.12 0.00 0.00 0.00 0.00 17.79 17.58 3mx6 h ALA 129 CO -0.12 -0.00 -0.17 1.98 0.00 0.00 0.00 179.25 180.94 3mx6 h MET 130 N 0.21 -0.01 -0.25 0.00 1.85 -1.06 -1.60 114.93 114.09 3mx6 h MET 130 Ca 0.07 0.00 -0.10 0.00 -0.61 0.00 0.00 59.70 59.06 3mx6 h MET 130 Cb 0.32 0.00 -0.01 0.00 0.43 0.00 0.00 31.60 32.33 3mx6 h MET 130 CO 0.00 -0.00 -0.28 0.52 -0.40 0.00 0.00 176.91 176.75 3mx6 h MET 131 N -0.01 0.49 -0.92 0.39 2.07 -0.71 -1.11 114.93 115.13 3mx6 h MET 131 Ca 0.31 -0.19 0.02 0.00 -2.07 0.00 0.00 59.70 57.76 3mx6 h MET 131 Cb 0.48 -0.02 -0.05 0.00 -1.87 0.00 0.00 31.60 30.14 3mx6 h MET 131 CO -0.67 0.72 0.61 0.87 1.07 0.00 0.00 176.91 179.51 3mx6 h LYS 132 N 0.43 1.18 -0.11 1.72 1.79 -0.48 -0.10 116.57 121.00 3mx6 h LYS 132 Ca 0.06 -0.07 -0.02 0.00 -2.18 0.00 0.00 60.65 58.44 3mx6 h LYS 132 Cb 0.71 -0.27 -0.00 0.00 -1.58 0.00 0.00 32.23 31.09 3mx6 h LYS 132 CO 0.05 0.78 -0.02 0.78 -1.08 0.00 0.00 179.45 179.97 3mx6 h GLY 133 N 1.22 0.22 1.03 3.86 0.00 -0.59 -3.05 103.07 105.76 3mx6 h GLY 133 Ca 0.35 -0.18 -0.02 0.00 0.00 0.00 0.00 47.33 47.48 3mx6 h GLY 133 CO -0.09 0.16 0.47 -2.22 0.00 0.00 0.00 176.54 174.86 3mx6 h ILE 134 N -0.09 1.26 0.00 2.60 2.04 -1.01 -3.12 117.51 119.19 3mx6 h ILE 134 Ca 0.03 -0.68 0.00 0.00 1.00 0.00 0.00 64.86 65.21 3mx6 h ILE 134 Cb 0.41 0.08 0.00 0.00 -0.74 0.00 0.00 36.82 36.56 3mx6 h ILE 134 CO 0.01 0.30 0.00 -0.33 0.00 0.00 0.00 178.15 178.13 3mx6 h GLU 135 N 1.25 0.00 -0.00 2.37 5.08 -0.91 -0.63 114.58 121.75 3mx6 h GLU 135 Ca 0.31 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.67 3mx6 h GLU 135 Cb 0.06 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.31 3mx6 h GLU 135 CO -0.05 0.00 -0.04 1.33 -1.00 0.00 0.00 179.01 179.25 3mx6 n VAL 136 N -2.95 0.00 -2.32 3.13 0.24 -1.18 -4.92 118.33 110.34 3mx6 n VAL 136 Ca -0.01 -0.00 -0.42 0.00 -2.04 0.00 0.00 64.34 61.86 3mx6 n VAL 136 Cb 0.16 -0.44 -0.03 0.00 -1.47 0.00 0.00 33.84 32.06 3mx6 n VAL 136 CO 0.00 0.00 0.00 -0.69 -2.14 0.00 0.00 176.83 174.00 3mx6 s VAL 137 N -2.98 3.85 -0.16 3.34 1.01 -0.25 -4.81 120.40 120.40 3mx6 s VAL 137 Ca 0.14 1.27 -0.33 0.00 0.00 0.00 0.00 61.98 63.06 3mx6 s VAL 137 Cb 0.19 -3.81 0.13 0.00 0.00 0.00 0.00 36.38 32.89 3mx6 s VAL 137 CO 0.54 0.04 1.15 0.00 0.00 0.00 0.00 175.10 176.83 3mx6 s ARG 138 N 1.83 0.39 0.36 2.72 1.70 -1.26 -3.56 118.95 121.14 3mx6 s ARG 138 Ca 0.61 -0.12 -0.28 0.00 -0.47 0.00 0.00 55.73 55.46 3mx6 s ARG 138 Cb -0.30 0.18 -0.11 0.00 -0.57 0.00 0.00 34.95 34.15 3mx6 s ARG 138 CO 0.27 -0.17 1.45 -2.30 -1.08 0.00 0.00 175.30 173.47 3mx6 n PRO 139 N -0.04 2.55 0.00 3.89 -0.02 -1.26 -2.00 135.00 138.13 3mx6 n PRO 139 Ca -0.02 0.90 0.00 0.00 -2.02 0.00 0.00 63.50 62.36 3mx6 n PRO 139 Cb 0.59 -2.60 0.00 0.00 -0.02 0.00 0.00 33.50 31.47 3mx6 n PRO 139 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 3mx6 n GLY 140 N 0.70 3.12 3.68 -1.23 0.00 -0.13 -4.98 105.19 106.35 3mx6 n GLY 140 Ca 0.03 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.75 3mx6 n GLY 140 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3mx6 s ALA 141 N -1.99 1.34 0.19 4.61 0.00 -0.84 -4.73 121.76 120.33 3mx6 s ALA 141 Ca 0.00 0.08 0.11 0.00 0.00 0.00 0.00 51.96 52.16 3mx6 s ALA 141 Cb 0.00 -3.25 -0.04 0.00 0.00 0.00 0.00 23.12 19.82 3mx6 s ALA 141 CO 0.00 -2.56 -0.22 0.15 0.00 0.00 0.00 175.76 173.13 3mx6 s LYS 142 N -4.81 1.58 0.35 0.00 1.02 -1.26 -0.28 119.74 116.33 3mx6 s LYS 142 Ca 0.64 -1.49 0.10 0.00 0.02 0.00 0.00 55.97 55.24 3mx6 s LYS 142 Cb -0.20 -1.88 0.86 0.00 -0.52 0.00 0.00 37.83 36.09 3mx6 s LYS 142 CO 0.58 0.40 1.82 -0.07 -0.92 0.00 0.00 175.35 177.17 3mx6 h LEU 143 N 3.18 0.64 -2.28 3.17 3.38 -1.17 -0.05 115.31 122.17 3mx6 h LEU 143 Ca -0.46 0.07 -0.01 0.00 0.09 0.00 0.00 57.88 57.56 3mx6 h LEU 143 Cb 1.21 -0.05 -0.00 0.00 0.09 0.00 0.00 40.66 41.90 3mx6 h LEU 143 CO 0.48 0.26 -0.05 1.23 0.09 0.00 0.00 178.44 180.46 3mx6 h GLY 144 N 0.64 0.00 1.43 0.83 0.00 -1.01 -1.82 103.07 103.14 3mx6 h GLY 144 Ca 0.52 0.00 -0.12 0.00 0.00 0.00 0.00 47.33 47.73 3mx6 h GLY 144 CO -0.27 0.00 -0.29 -0.55 0.00 0.00 0.00 176.54 175.43 3mx6 h ASP 145 N 0.00 0.66 0.09 0.19 3.32 -1.14 0.79 116.42 120.34 3mx6 h ASP 145 Ca -0.00 -0.25 -0.00 0.00 0.02 0.00 0.00 57.03 56.79 3mx6 h ASP 145 Cb 0.20 -0.18 0.00 0.00 0.22 0.00 0.00 39.33 39.56 3mx6 h ASP 145 CO 0.01 0.92 -0.05 0.40 -1.72 0.00 0.00 179.24 178.80 3mx6 h ILE 146 N 0.56 1.02 -0.70 0.35 2.04 -1.40 -2.26 117.51 117.12 3mx6 h ILE 146 Ca 0.07 -0.41 -0.02 0.00 1.00 0.00 0.00 64.86 65.50 3mx6 h ILE 146 Cb 0.77 1.28 -0.03 0.00 -0.74 0.00 0.00 36.82 38.11 3mx6 h ILE 146 CO 0.06 0.10 0.36 1.23 0.00 0.00 0.00 178.15 179.90 3mx6 h GLY 147 N -0.31 1.07 1.01 5.37 0.00 -1.38 -2.29 103.07 106.52 3mx6 h GLY 147 Ca -0.01 -0.51 -0.02 0.00 0.00 0.00 0.00 47.33 46.79 3mx6 h GLY 147 CO 0.02 0.49 0.35 -1.82 0.00 0.00 0.00 176.54 175.58 3mx6 h TYR 148 N 0.97 0.98 -0.50 5.60 3.20 -0.82 -0.07 116.97 126.32 3mx6 h TYR 148 Ca 0.24 -0.04 -0.03 0.00 3.14 0.00 0.00 58.73 62.04 3mx6 h TYR 148 Cb 0.09 -0.31 -0.02 0.00 1.54 0.00 0.00 36.73 38.03 3mx6 h TYR 148 CO 0.00 0.71 0.19 0.00 -1.64 0.00 0.00 178.16 177.42 3mx6 h ALA 149 N 1.17 0.65 0.09 1.82 0.00 -1.10 0.80 119.26 122.68 3mx6 h ALA 149 Ca 0.24 -0.16 -0.00 0.00 0.00 0.00 0.00 54.91 54.98 3mx6 h ALA 149 Cb 0.09 -0.19 0.00 0.00 0.00 0.00 0.00 17.79 17.68 3mx6 h ALA 149 CO -0.03 0.27 -0.04 0.82 0.00 0.00 0.00 179.25 180.27 3mx6 h ILE 150 N 0.67 1.11 -0.83 0.00 2.04 -1.23 -2.76 117.51 116.51 3mx6 h ILE 150 Ca 0.16 -0.75 -0.04 0.00 1.00 0.00 0.00 64.86 65.24 3mx6 h ILE 150 Cb 0.22 1.59 -0.04 0.00 -0.74 0.00 0.00 36.82 37.85 3mx6 h ILE 150 CO -0.01 0.18 0.38 -0.61 0.00 0.00 0.00 178.15 178.09 3mx6 h GLN 151 N -0.46 1.21 -0.43 2.37 4.15 -0.93 -1.14 115.11 119.89 3mx6 h GLN 151 Ca -0.01 -0.19 -0.04 0.00 0.77 0.00 0.00 58.65 59.18 3mx6 h GLN 151 Cb 0.39 -0.21 -0.02 0.00 0.21 0.00 0.00 27.48 27.85 3mx6 h GLN 151 CO 0.02 0.95 0.13 0.77 -1.93 0.00 0.00 178.83 178.77 3mx6 h SER 152 N 1.20 0.63 -0.42 -0.69 0.02 -0.88 -0.26 113.55 113.14 3mx6 h SER 152 Ca 0.28 -0.21 -0.07 0.00 -0.84 0.00 0.00 61.79 60.96 3mx6 h SER 152 Cb 0.15 -0.16 -0.02 0.00 0.14 0.00 0.00 62.40 62.51 3mx6 h SER 152 CO -0.03 0.67 -0.00 0.22 -1.14 0.00 0.00 176.83 176.55 3mx6 h TYR 153 N 0.55 0.81 -0.19 3.45 5.03 -1.18 -1.99 116.97 123.46 3mx6 h TYR 153 Ca 0.14 -0.14 -0.03 0.00 2.58 0.00 0.00 58.73 61.27 3mx6 h TYR 153 Cb 0.27 -0.21 -0.01 0.00 1.55 0.00 0.00 36.73 38.33 3mx6 h TYR 153 CO 0.01 0.81 -0.01 0.00 -1.32 0.00 0.00 178.16 177.65 3mx6 h ALA 154 N 0.90 0.25 0.00 1.82 0.00 -1.01 -3.19 119.26 118.03 3mx6 h ALA 154 Ca 0.12 -0.22 -0.06 0.00 0.00 0.00 0.00 54.91 54.75 3mx6 h ALA 154 Cb 0.49 -0.07 -0.01 0.00 0.00 0.00 0.00 17.79 18.20 3mx6 h ALA 154 CO 0.02 -0.01 -0.28 0.93 0.00 0.00 0.00 179.25 179.91 3mx6 h GLU 155 N 0.08 0.00 0.00 0.00 5.08 -1.01 -1.72 114.58 117.01 3mx6 h GLU 155 Ca 0.05 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.41 3mx6 h GLU 155 Cb 0.42 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.67 3mx6 h GLU 155 CO 0.01 0.28 0.00 0.87 -1.00 0.00 0.00 179.01 179.17 3mx6 h LYS 156 N 0.00 0.00 -0.69 2.33 1.79 -1.34 -1.79 116.57 116.88 3mx6 h LYS 156 Ca -0.00 0.00 0.00 0.00 -2.18 0.00 0.00 60.65 58.47 3mx6 h LYS 156 Cb 0.63 0.00 0.00 0.00 -1.58 0.00 0.00 32.23 31.28 3mx6 h LYS 156 CO 0.04 0.00 0.00 0.72 -1.08 0.00 0.00 179.45 179.13 3mx6 n HIS 157 N -3.07 1.41 -2.03 -1.35 8.25 -0.67 -4.95 115.22 112.80 3mx6 n HIS 157 Ca 0.00 -0.58 -0.16 0.00 -0.26 0.00 0.00 57.72 56.72 3mx6 n HIS 157 Cb 0.28 -0.19 -0.03 0.00 1.12 0.00 0.00 29.99 31.17 3mx6 n HIS 157 CO 0.00 0.00 0.00 -1.71 0.64 0.00 0.00 176.34 175.27 3mx6 n ASN 158 N 1.29 -4.77 -4.97 0.41 5.15 -0.67 -5.04 115.26 106.66 3mx6 n ASN 158 Ca 0.26 0.11 -0.18 0.00 -0.60 0.00 0.00 54.58 54.17 3mx6 n ASN 158 Cb 0.84 -3.82 -0.00 0.00 -0.53 0.00 0.00 39.78 36.27 3mx6 n ASN 158 CO 0.00 0.00 0.00 -0.31 1.40 0.00 0.00 177.26 178.35 3mx6 s TYR 159 N -2.72 2.83 0.26 1.20 2.02 -1.05 -4.85 117.35 115.04 3mx6 s TYR 159 Ca 0.00 -0.40 0.11 0.00 -0.37 0.00 0.00 57.07 56.42 3mx6 s TYR 159 Cb 0.00 -2.25 -0.05 0.00 -0.40 0.00 0.00 41.96 39.26 3mx6 s TYR 159 CO 0.00 -0.27 -0.17 -1.54 -1.57 0.00 0.00 175.55 172.01 3mx6 s SER 160 N -4.26 3.77 -0.20 2.29 1.04 -0.67 -3.90 113.70 111.77 3mx6 s SER 160 Ca 0.51 -0.92 -0.04 0.00 0.48 0.00 0.00 55.95 55.98 3mx6 s SER 160 Cb -0.08 -0.41 -0.02 0.00 0.10 0.00 0.00 66.02 65.61 3mx6 s SER 160 CO 0.31 0.05 -0.03 -0.69 0.98 0.00 0.00 173.24 173.86 3mx6 s VAL 161 N -2.33 3.65 0.24 5.02 1.01 -1.26 -0.75 120.40 125.98 3mx6 s VAL 161 Ca 0.29 -0.41 -0.31 0.00 0.00 0.00 0.00 61.98 61.55 3mx6 s VAL 161 Cb -0.06 -2.64 -0.11 0.00 0.00 0.00 0.00 36.38 33.57 3mx6 s VAL 161 CO 0.15 0.44 1.60 -0.69 0.00 0.00 0.00 175.10 176.60 3mx6 s VAL 162 N 1.11 2.24 -0.11 2.92 1.01 -0.62 -4.82 120.40 122.13 3mx6 s VAL 162 Ca 0.02 0.19 0.20 0.00 0.00 0.00 0.00 61.98 62.39 3mx6 s VAL 162 Cb -0.15 -3.12 -0.29 0.00 0.00 0.00 0.00 36.38 32.82 3mx6 s VAL 162 CO 0.00 0.02 0.33 0.54 0.00 0.00 0.00 175.10 176.00 3mx6 n ARG 163 N 2.96 0.67 0.06 2.72 5.12 -1.26 -4.61 116.66 122.32 3mx6 n ARG 163 Ca 0.11 -0.10 0.13 0.00 -1.93 0.00 0.00 57.85 56.06 3mx6 n ARG 163 Cb 0.37 -1.54 0.34 0.00 -1.16 0.00 0.00 32.46 30.47 3mx6 n ARG 163 CO 0.00 0.00 0.00 -0.25 -1.93 0.00 0.00 177.63 175.45 3mx6 n ASP 164 N -2.50 0.61 -4.10 0.55 8.00 -1.26 -4.78 116.55 113.08 3mx6 n ASP 164 Ca -0.16 0.30 -0.19 0.00 0.71 0.00 0.00 54.79 55.45 3mx6 n ASP 164 Cb 0.83 -0.29 -0.14 0.00 -0.02 0.00 0.00 41.12 41.51 3mx6 n ASP 164 CO 0.00 0.00 0.00 -0.31 -0.39 0.00 0.00 177.20 176.50 3mx6 s TYR 165 N -3.10 1.07 0.18 1.24 1.51 -1.26 -5.15 117.35 111.83 3mx6 s TYR 165 Ca 0.10 -0.29 0.00 0.00 -1.01 0.00 0.00 57.07 55.87 3mx6 s TYR 165 Cb 0.14 -0.66 -0.04 0.00 -0.11 0.00 0.00 41.96 41.29 3mx6 s TYR 165 CO 0.64 0.00 0.06 0.95 -1.11 0.00 0.00 175.55 176.10 3mx6 s THR 166 N -0.62 0.32 1.14 -0.71 -4.23 -1.26 -4.76 115.64 105.52 3mx6 s THR 166 Ca 0.02 -1.96 -0.19 0.00 -1.18 0.00 0.00 61.69 58.38 3mx6 s THR 166 Cb -0.06 -2.26 0.27 0.00 1.34 0.00 0.00 72.50 71.79 3mx6 s THR 166 CO 0.00 -0.30 1.19 -0.83 -0.54 0.00 0.00 174.62 174.15 3mx6 s GLY 167 N -3.15 1.66 -0.01 3.99 0.00 -0.35 -4.86 107.32 104.61 3mx6 s GLY 167 Ca 0.29 -1.11 -0.29 0.00 0.00 0.00 0.00 44.72 43.61 3mx6 s GLY 167 CO 0.06 -0.23 0.66 -2.38 0.00 0.00 0.00 173.10 171.21 3mx6 s HIS 168 N -3.34 -0.63 0.70 1.90 -3.43 -1.24 -1.07 115.29 108.17 3mx6 s HIS 168 Ca 0.73 0.97 -0.16 0.00 -0.80 0.00 0.00 55.06 55.80 3mx6 s HIS 168 Cb -0.06 0.43 -0.02 0.00 -1.43 0.00 0.00 32.58 31.49 3mx6 s HIS 168 CO 0.55 -0.65 0.80 0.41 -2.00 0.00 0.00 174.74 173.85 3mx6 n GLY 169 N 0.69 -0.85 3.48 -1.38 0.00 -0.30 -0.42 105.19 106.42 3mx6 n GLY 169 Ca -0.19 -0.32 -0.15 0.00 0.00 0.00 0.00 46.02 45.37 3mx6 n GLY 169 CO 0.00 0.00 0.00 -1.50 0.00 0.00 0.00 173.32 171.82 3mx6 s ILE 170 N -1.80 0.00 0.00 -0.61 2.07 -1.13 -0.53 121.20 119.20 3mx6 s ILE 170 Ca 0.71 0.00 0.00 0.00 -1.41 0.00 0.00 60.65 59.95 3mx6 s ILE 170 Cb -0.36 -1.00 0.00 0.00 0.13 0.00 0.00 42.46 41.23 3mx6 s ILE 170 CO 0.52 0.00 0.00 0.61 -1.91 0.00 0.00 174.94 174.16 3mx6 n GLY 171 N 0.37 -1.23 0.33 1.50 0.00 -1.26 -4.56 105.19 100.33 3mx6 n GLY 171 Ca -0.17 0.60 0.14 0.00 0.00 0.00 0.00 46.02 46.59 3mx6 n GLY 171 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3mx6 n ARG 172 N 0.00 1.32 -4.55 1.61 1.74 -1.26 -0.93 116.66 114.59 3mx6 n ARG 172 Ca 0.00 -0.66 -0.29 0.00 -0.77 0.00 0.00 57.85 56.13 3mx6 n ARG 172 Cb 0.00 -1.49 -0.14 0.00 -1.02 0.00 0.00 32.46 29.82 3mx6 n ARG 172 CO 0.00 0.00 0.00 0.08 -1.52 0.00 0.00 177.63 176.19 3mx6 s VAL 173 N -2.13 2.15 -0.04 1.55 1.01 -1.26 -4.92 120.40 116.76 3mx6 s VAL 173 Ca 0.36 -1.61 -0.21 0.00 0.00 0.00 0.00 61.98 60.53 3mx6 s VAL 173 Cb 0.21 -1.89 -0.15 0.00 0.00 0.00 0.00 36.38 34.55 3mx6 s VAL 173 CO 0.38 0.17 0.92 0.15 0.00 0.00 0.00 175.10 176.72 3mx6 h PHE 174 N 4.21 -0.29 -3.63 5.22 3.04 -1.88 -3.41 116.94 120.20 3mx6 h PHE 174 Ca -0.49 -0.01 -0.65 0.00 3.98 0.00 0.00 57.97 60.81 3mx6 h PHE 174 Cb 1.16 0.10 -0.40 0.00 2.56 0.00 0.00 35.95 39.37 3mx6 h PHE 174 CO 0.56 0.08 -0.74 -1.01 -2.02 0.00 0.00 178.31 175.19 3mx6 s HIS 175 N -3.70 3.31 0.50 0.41 3.76 -1.26 -4.45 115.29 113.86 3mx6 s HIS 175 Ca -0.12 -2.65 0.02 0.00 -0.15 0.00 0.00 55.06 52.15 3mx6 s HIS 175 Cb 0.01 -2.54 -0.02 0.00 1.11 0.00 0.00 32.58 31.14 3mx6 s HIS 175 CO 0.46 -0.92 0.00 0.34 -0.85 0.00 0.00 174.74 173.77 3mx6 s ASP 176 N 1.06 4.09 0.48 1.40 -1.08 0.31 -4.96 116.67 117.97 3mx6 s ASP 176 Ca 0.07 -1.63 -0.22 0.00 -0.52 0.00 0.00 52.55 50.26 3mx6 s ASP 176 Cb -0.19 0.43 -0.07 0.00 -1.46 0.00 0.00 42.92 41.63 3mx6 s ASP 176 CO -0.10 -0.81 1.11 -1.59 0.52 0.00 0.00 175.17 174.29 3mx6 s LYS 177 N -3.86 3.74 0.57 4.34 -2.85 -1.26 -1.15 119.74 119.27 3mx6 s LYS 177 Ca 0.09 1.60 0.09 0.00 -1.00 0.00 0.00 55.97 56.75 3mx6 s LYS 177 Cb 0.02 -2.26 0.08 0.00 -2.06 0.00 0.00 37.83 33.62 3mx6 s LYS 177 CO 0.04 -0.53 0.77 -1.25 0.10 0.00 0.00 175.35 174.48 3mx6 s PRO 178 N -2.92 2.30 0.09 1.78 0.04 -1.26 -3.82 135.00 131.21 3mx6 s PRO 178 Ca 0.66 -1.68 -0.30 0.00 0.04 0.00 0.00 61.00 59.72 3mx6 s PRO 178 Cb -0.24 -2.60 -0.05 0.00 0.04 0.00 0.00 34.50 31.64 3mx6 s PRO 178 CO 0.28 -0.85 1.02 -1.12 0.04 0.00 0.00 177.00 176.37 3mx6 s SER 179 N -4.64 7.38 -0.63 6.66 0.01 -1.26 -1.64 113.70 119.57 3mx6 s SER 179 Ca 0.60 1.84 -0.10 0.00 1.31 0.00 0.00 55.95 59.60 3mx6 s SER 179 Cb -0.05 -2.59 0.16 0.00 0.21 0.00 0.00 66.02 63.75 3mx6 s SER 179 CO 0.38 -0.18 0.52 -0.63 0.41 0.00 0.00 173.24 173.73 3mx6 s ILE 180 N 0.31 4.61 0.44 1.44 -1.09 -0.23 -4.93 121.20 121.74 3mx6 s ILE 180 Ca 0.50 -2.29 -0.23 0.00 -2.23 0.00 0.00 60.65 56.40 3mx6 s ILE 180 Cb -0.25 -3.95 -0.08 0.00 -1.58 0.00 0.00 42.46 36.60 3mx6 s ILE 180 CO 0.30 -0.89 1.08 -0.76 -1.23 0.00 0.00 174.94 173.45 3mx6 s LEU 181 N 0.63 4.03 0.00 2.97 1.02 -1.26 -1.21 118.68 124.87 3mx6 s LEU 181 Ca 0.12 2.10 0.17 0.00 0.02 0.00 0.00 54.13 56.54 3mx6 s LEU 181 Cb -0.20 -4.28 0.50 0.00 0.02 0.00 0.00 46.19 42.23 3mx6 s LEU 181 CO -0.04 -0.69 1.40 0.59 0.02 0.00 0.00 176.35 177.63 3mx6 n ASN 182 N -0.40 2.37 -4.00 2.29 3.02 -1.26 -3.78 115.26 113.50 3mx6 n ASN 182 Ca 0.07 -1.92 -0.09 0.00 -0.03 0.00 0.00 54.58 52.61 3mx6 n ASN 182 Cb 0.50 -0.25 -0.11 0.00 -0.61 0.00 0.00 39.78 39.32 3mx6 n ASN 182 CO 0.00 0.00 0.00 -0.72 -2.62 0.00 0.00 177.26 173.92 3mx6 s TYR 183 N -1.51 0.30 -3.36 3.10 1.13 -1.25 -3.48 117.35 112.28 3mx6 s TYR 183 Ca 0.32 -0.63 0.00 0.00 -1.41 0.00 0.00 57.07 55.35 3mx6 s TYR 183 Cb 0.17 -0.22 0.00 0.00 -1.10 0.00 0.00 41.96 40.81 3mx6 s TYR 183 CO 0.24 -0.25 0.00 0.41 -2.51 0.00 0.00 175.55 173.44 3mx6 n GLY 184 N 1.20 -1.52 3.23 5.49 0.00 -1.23 -4.54 105.19 107.81 3mx6 n GLY 184 Ca -0.21 -1.11 -0.27 0.00 0.00 0.00 0.00 46.02 44.43 3mx6 n GLY 184 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 3mx6 s ARG 185 N -1.46 1.61 0.36 1.61 0.52 -1.23 -3.55 118.95 116.82 3mx6 s ARG 185 Ca 0.00 -0.79 -0.26 0.00 -0.52 0.00 0.00 55.73 54.16 3mx6 s ARG 185 Cb 0.00 -1.60 -0.12 0.00 0.52 0.00 0.00 34.95 33.75 3mx6 s ARG 185 CO 0.00 0.43 1.07 0.09 0.02 0.00 0.00 175.30 176.91 3mx6 n ASN 186 N 2.40 1.61 -0.14 0.23 3.02 -1.26 -2.81 115.26 118.31 3mx6 n ASN 186 Ca -0.16 1.12 -0.02 0.00 -0.03 0.00 0.00 54.58 55.49 3mx6 n ASN 186 Cb 0.53 -1.36 -0.01 0.00 -0.61 0.00 0.00 39.78 38.33 3mx6 n ASN 186 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 3mx6 n GLY 187 N 1.10 0.48 3.64 7.41 0.00 -1.26 -4.92 105.19 111.64 3mx6 n GLY 187 Ca 0.08 -0.19 -0.24 0.00 0.00 0.00 0.00 46.02 45.68 3mx6 n GLY 187 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 3mx6 s THR 188 N -1.82 2.81 0.00 2.61 -4.23 -1.12 -5.03 115.64 108.86 3mx6 s THR 188 Ca 0.00 -1.94 0.00 0.00 -1.18 0.00 0.00 61.69 58.57 3mx6 s THR 188 Cb 0.00 -2.81 0.00 0.00 1.34 0.00 0.00 72.50 71.03 3mx6 s THR 188 CO 0.00 -0.23 0.00 0.61 -0.54 0.00 0.00 174.62 174.46 3mx6 n GLY 189 N -0.96 -0.77 3.77 3.99 0.00 -1.26 -0.48 105.19 109.47 3mx6 n GLY 189 Ca -0.04 -1.71 -0.31 0.00 0.00 0.00 0.00 46.02 43.96 3mx6 n GLY 189 CO 0.00 0.00 0.00 0.48 0.00 0.00 0.00 173.32 173.80 3mx6 s LEU 190 N -2.07 2.92 -0.06 0.99 0.05 -1.26 -4.44 118.68 114.81 3mx6 s LEU 190 Ca 0.00 1.75 -0.21 0.00 0.05 0.00 0.00 54.13 55.72 3mx6 s LEU 190 Cb 0.00 -4.42 -0.04 0.00 -2.05 0.00 0.00 46.19 39.68 3mx6 s LEU 190 CO 0.00 -2.08 0.62 -0.89 -0.55 0.00 0.00 176.35 173.46 3mx6 s THR 191 N -2.92 5.05 0.36 5.48 2.01 -1.26 -1.09 115.64 123.26 3mx6 s THR 191 Ca 0.61 1.28 -0.26 0.00 0.31 0.00 0.00 61.69 63.63 3mx6 s THR 191 Cb -0.17 -3.96 -0.09 0.00 0.01 0.00 0.00 72.50 68.29 3mx6 s THR 191 CO 0.56 0.31 1.15 -0.76 -0.69 0.00 0.00 174.62 175.19 3mx6 s LEU 192 N 0.52 4.29 0.03 4.42 1.43 0.61 -4.90 118.68 125.09 3mx6 s LEU 192 Ca 0.33 2.33 0.02 0.00 -1.03 0.00 0.00 54.13 55.78 3mx6 s LEU 192 Cb -0.17 -3.91 -0.02 0.00 0.03 0.00 0.00 46.19 42.12 3mx6 s LEU 192 CO 0.16 -0.51 -0.08 -0.54 0.23 0.00 0.00 176.35 175.61 3mx6 s LYS 193 N -2.07 0.55 0.09 1.70 1.02 -1.26 -0.96 119.74 118.81 3mx6 s LYS 193 Ca 0.53 -0.63 -0.36 0.00 0.02 0.00 0.00 55.97 55.53 3mx6 s LYS 193 Cb -0.31 -0.39 -0.16 0.00 -0.52 0.00 0.00 37.83 36.45 3mx6 s LYS 193 CO 0.39 0.08 1.39 -1.91 -0.92 0.00 0.00 175.35 174.39 3mx6 n GLU 194 N 1.84 1.33 0.00 1.68 2.13 -1.26 -2.34 120.64 124.02 3mx6 n GLU 194 Ca -0.20 0.48 0.00 0.00 0.66 0.00 0.00 57.16 58.10 3mx6 n GLU 194 Cb 0.55 -2.15 0.00 0.00 0.27 0.00 0.00 31.44 30.12 3mx6 n GLU 194 CO 0.00 0.00 0.00 0.41 -0.41 0.00 0.00 177.13 177.13 3mx6 n GLY 195 N 2.71 0.45 3.75 8.31 0.00 -0.20 -4.72 105.19 115.49 3mx6 n GLY 195 Ca 0.18 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.80 3mx6 n GLY 195 CO 0.00 0.00 0.00 1.06 0.00 0.00 0.00 173.32 174.38 3mx6 s MET 196 N -0.88 4.73 -0.07 1.61 -1.94 -0.99 -0.88 119.30 120.88 3mx6 s MET 196 Ca 0.00 1.37 0.05 0.00 -1.71 0.00 0.00 55.69 55.40 3mx6 s MET 196 Cb 0.00 -3.30 -0.01 0.00 2.01 0.00 0.00 34.83 33.53 3mx6 s MET 196 CO 0.00 0.46 -0.22 -0.06 -0.01 0.00 0.00 175.02 175.19 3mx6 s PHE 197 N -0.88 2.53 0.21 -0.03 0.08 -1.26 -0.98 117.98 117.65 3mx6 s PHE 197 Ca 0.40 -0.63 -0.23 0.00 0.12 0.00 0.00 56.93 56.60 3mx6 s PHE 197 Cb -0.24 -1.64 0.04 0.00 -0.57 0.00 0.00 43.02 40.61 3mx6 s PHE 197 CO 0.29 -0.15 0.79 -0.59 -0.10 0.00 0.00 175.22 175.46 3mx6 s PHE 198 N -0.18 -0.22 0.19 0.36 -0.12 -0.67 -2.83 117.98 114.51 3mx6 s PHE 198 Ca -0.02 -0.15 -0.01 0.00 -0.05 0.00 0.00 56.93 56.69 3mx6 s PHE 198 Cb -0.14 0.66 -0.04 0.00 -0.63 0.00 0.00 43.02 42.87 3mx6 s PHE 198 CO 0.03 -1.03 0.39 0.95 -0.05 0.00 0.00 175.22 175.51 3mx6 s THR 199 N -3.66 5.20 -0.20 -4.49 -4.23 0.44 -1.07 115.64 107.62 3mx6 s THR 199 Ca 0.10 -0.30 0.01 0.00 -1.18 0.00 0.00 61.69 60.32 3mx6 s THR 199 Cb -0.04 -3.72 0.04 0.00 1.34 0.00 0.00 72.50 70.13 3mx6 s THR 199 CO 0.02 -0.14 -0.11 -0.69 -0.54 0.00 0.00 174.62 173.16 3mx6 s VAL 200 N -1.84 1.69 -0.40 2.29 1.01 -0.50 -3.71 120.40 118.94 3mx6 s VAL 200 Ca 0.39 -1.00 0.09 0.00 0.00 0.00 0.00 61.98 61.46 3mx6 s VAL 200 Cb -0.11 -1.73 0.30 0.00 0.00 0.00 0.00 36.38 34.84 3mx6 s VAL 200 CO 0.28 0.21 0.75 -1.84 0.00 0.00 0.00 175.10 174.50 3mx6 n GLU 201 N 4.67 0.88 -2.21 2.72 0.28 -1.26 -1.72 120.64 124.01 3mx6 n GLU 201 Ca -0.15 -2.91 -0.40 0.00 -0.16 0.00 0.00 57.16 53.53 3mx6 n GLU 201 Cb 0.47 -1.42 -0.03 0.00 1.43 0.00 0.00 31.44 31.89 3mx6 n GLU 201 CO 0.00 0.00 0.00 -1.25 -0.16 0.00 0.00 177.13 175.72 3mx6 s PRO 202 N -1.26 4.39 -0.20 3.44 0.04 -1.22 -4.70 135.00 135.49 3mx6 s PRO 202 Ca 0.35 2.10 -0.04 0.00 0.04 0.00 0.00 61.00 63.45 3mx6 s PRO 202 Cb 0.27 -3.07 -0.01 0.00 0.04 0.00 0.00 34.50 31.73 3mx6 s PRO 202 CO -0.10 -0.11 -0.04 -1.64 0.04 0.00 0.00 177.00 175.15 3mx6 s MET 203 N -1.76 3.46 -0.08 4.56 -1.94 -1.26 -3.45 119.30 118.83 3mx6 s MET 203 Ca 0.49 -0.60 0.04 0.00 -1.71 0.00 0.00 55.69 53.91 3mx6 s MET 203 Cb -0.37 -2.99 0.00 0.00 2.01 0.00 0.00 34.83 33.48 3mx6 s MET 203 CO 0.49 -0.08 -0.21 0.42 -0.01 0.00 0.00 175.02 175.63 3mx6 s ILE 204 N 1.19 1.81 0.00 2.53 -1.09 -0.28 -1.59 121.20 123.78 3mx6 s ILE 204 Ca 0.02 -0.89 0.01 0.00 -2.23 0.00 0.00 60.65 57.56 3mx6 s ILE 204 Cb -0.14 -1.57 -0.04 0.00 -1.58 0.00 0.00 42.46 39.13 3mx6 s ILE 204 CO -0.01 0.51 0.04 0.20 -1.23 0.00 0.00 174.94 174.45 3mx6 s ASN 205 N 0.31 5.38 0.38 3.58 0.01 0.07 -1.12 114.94 123.55 3mx6 s ASN 205 Ca -0.15 0.06 0.15 0.00 -0.71 0.00 0.00 52.86 52.21 3mx6 s ASN 205 Cb -0.16 -1.47 0.75 0.00 0.41 0.00 0.00 41.25 40.77 3mx6 s ASN 205 CO 0.07 0.27 1.81 0.00 -1.51 0.00 0.00 177.10 177.74 3mx6 h ALA 206 N 4.17 1.25 -3.00 0.60 0.00 -1.12 -1.78 119.26 119.39 3mx6 h ALA 206 Ca -0.49 -0.34 0.00 0.00 0.00 0.00 0.00 54.91 54.08 3mx6 h ALA 206 Cb 1.18 -0.06 0.00 0.00 0.00 0.00 0.00 17.79 18.91 3mx6 h ALA 206 CO 0.60 0.47 0.00 0.41 0.00 0.00 0.00 179.25 180.73 3mx6 n GLY 207 N -0.27 1.01 3.91 0.00 0.00 -1.26 -4.72 105.19 103.86 3mx6 n GLY 207 Ca -0.01 0.00 -0.27 0.00 0.00 0.00 0.00 46.02 45.73 3mx6 n GLY 207 CO 0.00 0.00 0.00 -1.31 0.00 0.00 0.00 173.32 172.01 3mx6 s ASN 208 N -0.31 6.15 0.00 1.61 0.02 -1.26 -3.85 114.94 117.29 3mx6 s ASN 208 Ca 0.00 0.88 0.29 0.00 -1.02 0.00 0.00 52.86 53.00 3mx6 s ASN 208 Cb 0.00 -2.14 1.19 0.00 0.02 0.00 0.00 41.25 40.32 3mx6 s ASN 208 CO 0.00 -0.66 1.89 0.00 0.02 0.00 0.00 177.10 178.36 3mx6 n TYR 209 N -2.31 0.00 -2.06 2.20 4.11 -1.26 -4.85 117.16 112.98 3mx6 n TYR 209 Ca 0.01 0.00 -0.41 0.00 -0.00 0.00 0.00 57.90 57.50 3mx6 n TYR 209 Cb 0.56 -0.47 -0.02 0.00 -0.00 0.00 0.00 39.34 39.40 3mx6 n TYR 209 CO 0.00 0.00 0.00 -0.51 -0.00 0.00 0.00 176.86 176.35 3mx6 s ASP 210 N -2.99 6.71 0.34 9.48 1.01 -1.26 -4.54 116.67 125.42 3mx6 s ASP 210 Ca 0.14 2.71 0.06 0.00 0.71 0.00 0.00 52.55 56.18 3mx6 s ASP 210 Cb 0.19 -2.64 -0.07 0.00 1.01 0.00 0.00 42.92 41.41 3mx6 s ASP 210 CO 0.54 -0.61 -0.01 0.42 0.21 0.00 0.00 175.17 175.72 3mx6 s THR 211 N -0.84 1.69 -0.02 -1.27 -4.23 -1.26 -1.44 115.64 108.27 3mx6 s THR 211 Ca 0.52 -2.06 0.01 0.00 -1.18 0.00 0.00 61.69 58.97 3mx6 s THR 211 Cb -0.41 -2.73 0.01 0.00 1.34 0.00 0.00 72.50 70.72 3mx6 s THR 211 CO 0.51 -0.12 -0.02 -0.63 -0.54 0.00 0.00 174.62 173.82 3mx6 s ILE 212 N -2.96 0.26 -0.04 2.99 1.01 0.15 -4.72 121.20 117.89 3mx6 s ILE 212 Ca 0.33 -0.05 -0.17 0.00 0.00 0.00 0.00 60.65 60.76 3mx6 s ILE 212 Cb 0.07 -0.28 -0.05 0.00 0.01 0.00 0.00 42.46 42.21 3mx6 s ILE 212 CO 0.15 0.12 0.46 -0.22 0.00 0.00 0.00 174.94 175.44 3mx6 s LEU 213 N 0.44 4.40 0.16 2.97 2.96 -1.26 -0.96 118.68 127.39 3mx6 s LEU 213 Ca -0.04 0.94 -0.33 0.00 -0.22 0.00 0.00 54.13 54.48 3mx6 s LEU 213 Cb -0.07 -2.67 -0.13 0.00 0.50 0.00 0.00 46.19 43.82 3mx6 s LEU 213 CO -0.01 0.18 1.69 -0.24 -1.32 0.00 0.00 176.35 176.66 3mx6 n SER 214 N 2.59 3.62 0.16 3.68 2.88 -0.02 -4.87 113.62 121.66 3mx6 n SER 214 Ca -0.11 1.05 0.13 0.00 -1.33 0.00 0.00 58.87 58.62 3mx6 n SER 214 Cb 0.52 -1.50 0.46 0.00 -0.75 0.00 0.00 64.21 62.94 3mx6 n SER 214 CO 0.00 0.00 0.00 0.11 -1.23 0.00 0.00 175.04 173.92 3mx6 h LYS 215 N 6.82 0.00 0.02 -1.46 1.57 -1.96 -3.14 116.57 118.42 3mx6 h LYS 215 Ca -0.45 0.00 -0.39 0.00 -1.87 0.00 0.00 60.65 57.95 3mx6 h LYS 215 Cb 1.23 0.00 -0.06 0.00 0.08 0.00 0.00 32.23 33.48 3mx6 h LYS 215 CO 0.93 0.00 -2.38 1.28 -0.57 0.00 0.00 179.45 178.71 3mx6 n LEU 216 N -2.51 2.84 -0.06 2.94 4.77 -1.26 -4.63 117.00 119.09 3mx6 n LEU 216 Ca 0.03 -0.04 0.04 0.00 -0.03 0.00 0.00 56.01 56.01 3mx6 n LEU 216 Cb 0.34 -0.95 -0.03 0.00 -2.33 0.00 0.00 43.42 40.45 3mx6 n LEU 216 CO 0.26 0.89 0.04 -0.90 -1.33 0.00 0.00 177.39 176.36 3mx6 n ASP 217 N -3.38 0.61 0.00 -1.43 5.68 -1.26 -5.02 116.55 111.76 3mx6 n ASP 217 Ca -0.44 -0.81 0.00 0.00 -0.50 0.00 0.00 54.79 53.05 3mx6 n ASP 217 Cb 0.99 0.85 0.00 0.00 -1.14 0.00 0.00 41.12 41.82 3mx6 n ASP 217 CO 0.00 0.00 0.00 0.61 -1.33 0.00 0.00 177.20 176.48 3mx6 n GLY 218 N 1.10 0.42 1.76 6.12 0.00 -1.18 -4.75 105.19 108.65 3mx6 n GLY 218 Ca 0.02 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.04 3mx6 n GLY 218 CO 0.00 0.00 0.00 0.79 0.00 0.00 0.00 173.32 174.11 3mx6 n TRP 219 N -2.52 -0.06 -1.86 1.61 7.02 -1.26 -4.92 117.44 115.45 3mx6 n TRP 219 Ca 0.00 0.01 -0.42 0.00 -1.02 0.00 0.00 57.50 56.07 3mx6 n TRP 219 Cb 0.12 0.38 -0.03 0.00 -2.42 0.00 0.00 31.31 29.37 3mx6 n TRP 219 CO 0.00 0.00 0.00 0.99 -2.02 0.00 0.00 177.69 176.66 3mx6 s THR 220 N -2.00 3.23 -0.18 -0.99 2.01 -1.26 -4.71 115.64 111.75 3mx6 s THR 220 Ca 0.00 0.40 -0.08 0.00 0.31 0.00 0.00 61.69 62.32 3mx6 s THR 220 Cb 0.00 -3.26 -0.04 0.00 0.01 0.00 0.00 72.50 69.21 3mx6 s THR 220 CO 0.00 -0.03 0.08 -0.69 -0.69 0.00 0.00 174.62 173.30 3mx6 s VAL 221 N 3.84 5.00 0.24 3.82 1.01 -0.91 -0.84 120.40 132.56 3mx6 s VAL 221 Ca 0.79 0.04 0.07 0.00 0.00 0.00 0.00 61.98 62.88 3mx6 s VAL 221 Cb -0.38 -3.25 -0.05 0.00 0.00 0.00 0.00 36.38 32.69 3mx6 s VAL 221 CO 0.34 0.47 -0.11 0.42 0.00 0.00 0.00 175.10 176.23 3mx6 s THR 222 N 0.20 1.72 0.22 3.92 -4.23 -0.13 0.30 115.64 117.64 3mx6 s THR 222 Ca 0.06 -2.18 -0.30 0.00 -1.18 0.00 0.00 61.69 58.09 3mx6 s THR 222 Cb -0.12 -2.24 -0.09 0.00 1.34 0.00 0.00 72.50 71.40 3mx6 s THR 222 CO -0.00 -0.45 1.11 0.42 -0.54 0.00 0.00 174.62 175.16 3mx6 s THR 223 N -2.97 3.66 0.31 3.99 -4.23 -0.62 -0.68 115.64 115.09 3mx6 s THR 223 Ca 0.26 1.52 0.00 0.00 -1.18 0.00 0.00 61.69 62.29 3mx6 s THR 223 Cb 0.01 -3.97 0.21 0.00 1.34 0.00 0.00 72.50 70.09 3mx6 s THR 223 CO 0.09 0.30 1.91 -0.09 -0.54 0.00 0.00 174.62 176.30 3mx6 h ARG 224 N 4.57 0.85 -0.07 3.99 2.43 -1.53 -2.54 114.38 122.09 3mx6 h ARG 224 Ca -0.45 -0.11 0.00 0.00 -0.81 0.00 0.00 59.98 58.60 3mx6 h ARG 224 Cb 1.21 -0.16 0.00 0.00 -0.42 0.00 0.00 29.97 30.60 3mx6 h ARG 224 CO 0.70 0.67 0.00 -0.40 -1.51 0.00 0.00 179.97 179.43 3mx6 n ASP 225 N -4.35 1.21 -1.45 -3.80 5.68 -1.26 -4.92 116.55 107.66 3mx6 n ASP 225 Ca 0.05 -1.51 -0.18 0.00 -0.50 0.00 0.00 54.79 52.65 3mx6 n ASP 225 Cb 0.14 -0.04 -0.07 0.00 -1.14 0.00 0.00 41.12 40.01 3mx6 n ASP 225 CO 0.00 0.00 0.00 0.29 -1.33 0.00 0.00 177.20 176.16 3mx6 n LYS 226 N -0.02 -1.27 -1.59 0.11 5.02 -0.96 -5.01 118.16 114.45 3mx6 n LYS 226 Ca 0.18 1.11 -0.31 0.00 -2.02 0.00 0.00 58.31 57.26 3mx6 n LYS 226 Cb 0.28 -5.40 0.05 0.00 -0.02 0.00 0.00 35.03 29.95 3mx6 n LYS 226 CO 0.00 0.00 0.00 -1.54 -0.52 0.00 0.00 177.40 175.34 3mx6 s SER 227 N -2.75 5.20 0.58 4.39 1.04 -1.26 -4.78 113.70 116.12 3mx6 s SER 227 Ca 0.00 1.73 -0.20 0.00 0.48 0.00 0.00 55.95 57.97 3mx6 s SER 227 Cb 0.00 -2.51 -0.04 0.00 0.10 0.00 0.00 66.02 63.57 3mx6 s SER 227 CO 0.00 -1.56 1.25 -0.76 0.98 0.00 0.00 173.24 173.15 3mx6 s LEU 228 N -5.41 3.72 -0.00 2.42 1.43 -1.26 -4.37 118.68 115.21 3mx6 s LEU 228 Ca 0.60 2.50 0.02 0.00 -1.03 0.00 0.00 54.13 56.22 3mx6 s LEU 228 Cb -0.16 -4.50 -0.00 0.00 0.03 0.00 0.00 46.19 41.56 3mx6 s LEU 228 CO 0.51 -1.59 -0.05 -0.55 0.23 0.00 0.00 176.35 174.89 3mx6 s SER 229 N -1.40 0.62 0.16 2.29 0.15 -1.01 -0.52 113.70 113.98 3mx6 s SER 229 Ca 0.76 -0.12 0.06 0.00 0.70 0.00 0.00 55.95 57.36 3mx6 s SER 229 Cb -0.34 -0.06 -0.04 0.00 -1.71 0.00 0.00 66.02 63.87 3mx6 s SER 229 CO 0.37 0.05 -0.14 0.00 1.20 0.00 0.00 173.24 174.73 3mx6 s ALA 230 N -0.18 1.70 -0.06 5.45 0.00 -0.27 -4.76 121.76 123.64 3mx6 s ALA 230 Ca 0.01 -1.47 -0.11 0.00 0.00 0.00 0.00 51.96 50.39 3mx6 s ALA 230 Cb -0.02 -0.06 0.02 0.00 0.00 0.00 0.00 23.12 23.05 3mx6 s ALA 230 CO -0.00 0.06 0.26 -1.14 0.00 0.00 0.00 175.76 174.94 3mx6 s GLN 231 N -3.22 0.46 0.11 0.00 0.74 -1.26 -1.12 119.66 115.37 3mx6 s GLN 231 Ca 0.16 0.07 0.05 0.00 0.05 0.00 0.00 55.36 55.68 3mx6 s GLN 231 Cb -0.02 0.21 -0.04 0.00 1.10 0.00 0.00 33.01 34.26 3mx6 s GLN 231 CO 0.04 -0.10 -0.13 -0.06 -0.55 0.00 0.00 175.29 174.50 3mx6 s PHE 232 N -0.58 1.28 -0.03 1.67 0.08 -1.22 -4.09 117.98 115.08 3mx6 s PHE 232 Ca -0.07 -0.58 -0.05 0.00 0.12 0.00 0.00 56.93 56.35 3mx6 s PHE 232 Cb -0.04 -0.68 0.01 0.00 -0.57 0.00 0.00 43.02 41.74 3mx6 s PHE 232 CO 0.02 0.09 0.12 -2.00 -0.10 0.00 0.00 175.22 173.35 3mx6 s GLU 233 N -2.66 0.23 0.09 0.44 2.12 -0.83 -3.39 118.70 114.69 3mx6 s GLU 233 Ca 0.07 0.01 0.04 0.00 0.36 0.00 0.00 54.97 55.45 3mx6 s GLU 233 Cb -0.04 0.10 -0.03 0.00 0.26 0.00 0.00 34.13 34.41 3mx6 s GLU 233 CO 0.02 -0.04 -0.10 -1.01 -0.54 0.00 0.00 175.26 173.59 3mx6 s HIS 234 N -0.32 1.03 -0.19 5.30 3.76 -0.70 -2.38 115.29 121.80 3mx6 s HIS 234 Ca -0.04 -0.62 -0.09 0.00 -0.15 0.00 0.00 55.06 54.16 3mx6 s HIS 234 Cb -0.03 -0.57 -0.05 0.00 1.11 0.00 0.00 32.58 33.04 3mx6 s HIS 234 CO 0.00 -0.00 0.10 0.99 -0.85 0.00 0.00 174.74 174.98 3mx6 s THR 235 N -2.20 5.18 0.24 1.30 2.01 -1.14 -1.41 115.64 119.63 3mx6 s THR 235 Ca 0.03 0.11 0.04 0.00 0.31 0.00 0.00 61.69 62.17 3mx6 s THR 235 Cb -0.04 -3.35 -0.05 0.00 0.01 0.00 0.00 72.50 69.06 3mx6 s THR 235 CO 0.00 0.45 0.00 0.27 -0.69 0.00 0.00 174.62 174.66 3mx6 s ILE 236 N 0.34 1.05 0.06 1.82 -4.36 -0.24 -0.54 121.20 119.34 3mx6 s ILE 236 Ca 0.06 -2.03 0.04 0.00 -0.26 0.00 0.00 60.65 58.46 3mx6 s ILE 236 Cb -0.11 -2.40 -0.03 0.00 1.25 0.00 0.00 42.46 41.16 3mx6 s ILE 236 CO -0.01 -0.28 -0.13 -0.83 0.24 0.00 0.00 174.94 173.93 3mx6 s GLY 237 N -3.33 0.77 -0.15 6.27 0.00 -0.09 -1.67 107.32 109.13 3mx6 s GLY 237 Ca 0.30 -0.93 -0.22 0.00 0.00 0.00 0.00 44.72 43.87 3mx6 s GLY 237 CO 0.10 -0.96 0.66 0.14 0.00 0.00 0.00 173.10 173.03 3mx6 s VAL 238 N -1.27 5.03 0.38 1.40 1.01 -0.15 -0.62 120.40 126.17 3mx6 s VAL 238 Ca -0.04 1.28 0.06 0.00 0.00 0.00 0.00 61.98 63.28 3mx6 s VAL 238 Cb -0.10 -3.98 0.06 0.00 0.00 0.00 0.00 36.38 32.36 3mx6 s VAL 238 CO 0.02 0.16 0.49 0.35 0.00 0.00 0.00 175.10 176.12 3mx6 n THR 239 N 4.35 0.00 0.09 3.92 -2.24 -0.30 -1.04 114.28 119.06 3mx6 n THR 239 Ca -0.01 -1.28 0.09 0.00 -2.27 0.00 0.00 64.05 60.58 3mx6 n THR 239 Cb 0.50 -0.62 0.57 0.00 -2.10 0.00 0.00 70.33 68.68 3mx6 n THR 239 CO 0.00 0.00 0.00 0.07 -0.57 0.00 0.00 175.07 174.57 3mx6 h LYS 240 N 0.00 0.21 0.00 -0.78 -0.00 -1.97 -3.31 116.57 110.73 3mx6 h LYS 240 Ca -0.18 -0.01 0.00 0.00 -0.00 0.00 0.00 60.65 60.45 3mx6 h LYS 240 Cb 0.82 -0.05 0.00 0.00 -0.00 0.00 0.00 32.23 33.00 3mx6 h LYS 240 CO 0.27 0.14 -0.11 -0.40 -0.00 0.00 0.00 179.45 179.35 3mx6 n ASP 241 N -4.49 0.21 0.00 7.07 5.68 -1.26 -4.66 116.55 119.09 3mx6 n ASP 241 Ca 0.03 -1.35 0.00 0.00 -0.50 0.00 0.00 54.79 52.97 3mx6 n ASP 241 Cb 0.21 -0.06 0.00 0.00 -1.14 0.00 0.00 41.12 40.14 3mx6 n ASP 241 CO 0.00 0.00 0.00 0.61 -1.33 0.00 0.00 177.20 176.48 3mx6 n GLY 242 N -0.07 1.97 3.25 6.12 0.00 -1.24 -4.81 105.19 110.41 3mx6 n GLY 242 Ca 0.00 0.08 -0.14 0.00 0.00 0.00 0.00 46.02 45.96 3mx6 n GLY 242 CO 0.00 0.00 0.00 -0.11 0.00 0.00 0.00 173.32 173.21 3mx6 s PHE 243 N 0.97 1.25 -0.05 1.61 -0.71 -1.23 -1.16 117.98 118.67 3mx6 s PHE 243 Ca 0.00 -0.99 0.01 0.00 -1.04 0.00 0.00 56.93 54.91 3mx6 s PHE 243 Cb 0.00 -0.71 0.02 0.00 -1.21 0.00 0.00 43.02 41.12 3mx6 s PHE 243 CO 0.00 -0.17 -0.04 -2.00 -1.34 0.00 0.00 175.22 171.67 3mx6 s GLU 244 N -3.89 0.85 -0.14 1.99 2.12 0.21 -4.79 118.70 115.05 3mx6 s GLU 244 Ca 0.24 -0.10 -0.19 0.00 0.36 0.00 0.00 54.97 55.28 3mx6 s GLU 244 Cb 0.06 -0.88 -0.04 0.00 0.26 0.00 0.00 34.13 33.53 3mx6 s GLU 244 CO 0.04 -0.10 0.51 0.42 -0.54 0.00 0.00 175.26 175.60 3mx6 s ILE 245 N 1.00 5.15 -0.82 -3.70 1.01 -1.26 -0.91 121.20 121.67 3mx6 s ILE 245 Ca -0.10 1.00 0.24 0.00 0.00 0.00 0.00 60.65 61.80 3mx6 s ILE 245 Cb -0.14 -3.85 -0.04 0.00 0.01 0.00 0.00 42.46 38.44 3mx6 s ILE 245 CO -0.00 0.27 1.24 0.49 0.00 0.00 0.00 174.94 176.94 3mx6 n PHE 246 N 4.07 0.19 -1.50 3.97 3.72 0.30 -4.34 117.46 123.87 3mx6 n PHE 246 Ca -0.06 0.06 0.06 0.00 -0.05 0.00 0.00 57.45 57.46 3mx6 n PHE 246 Cb 0.51 -0.37 0.20 0.00 -0.94 0.00 0.00 39.48 38.88 3mx6 n PHE 246 CO 0.00 0.00 0.00 0.25 -0.05 0.00 0.00 176.76 176.96 3mx6 n THR 247 N -1.76 2.17 -2.03 4.37 -2.24 -1.25 -2.74 114.28 110.81 3mx6 n THR 247 Ca 0.04 -3.05 -0.41 0.00 -2.27 0.00 0.00 64.05 58.36 3mx6 n THR 247 Cb 0.38 -0.24 -0.02 0.00 -2.10 0.00 0.00 70.33 68.35 3mx6 n THR 247 CO 0.00 0.00 0.00 -0.76 -0.57 0.00 0.00 175.07 173.74 3mx6 s LEU 248 N -3.18 4.39 0.09 3.22 1.43 -1.26 -4.68 118.68 118.70 3mx6 s LEU 248 Ca 0.37 2.74 -0.31 0.00 -1.03 0.00 0.00 54.13 55.91 3mx6 s LEU 248 Cb 0.36 -3.64 -0.10 0.00 0.03 0.00 0.00 46.19 42.83 3mx6 s LEU 248 CO -0.05 -0.65 1.91 -0.55 0.23 0.00 0.00 176.35 177.24 3mx6 s SER 249 N -0.13 6.42 0.45 2.29 0.15 -1.26 -4.85 113.70 116.77 3mx6 s SER 249 Ca 0.53 2.74 0.16 0.00 0.70 0.00 0.00 55.95 60.08 3mx6 s SER 249 Cb -0.42 -2.55 1.04 0.00 -1.71 0.00 0.00 66.02 62.39 3mx6 s SER 249 CO 0.51 -1.04 1.99 -0.65 1.20 0.00 0.00 173.24 175.26 3mx6 h PRO 250 N 9.52 0.00 -0.28 5.44 0.11 -1.91 -2.32 132.00 142.55 3mx6 h PRO 250 Ca -0.48 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.63 3mx6 h PRO 250 Cb 1.23 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.34 3mx6 h PRO 250 CO 0.95 0.18 0.00 1.63 -0.21 0.00 0.00 178.00 180.55 3mx6 n LYS 251 N -4.23 1.77 -3.00 1.05 5.02 -1.26 -4.92 118.16 112.58 3mx6 n LYS 251 Ca -0.02 -1.18 -0.22 0.00 -2.02 0.00 0.00 58.31 54.86 3mx6 n LYS 251 Cb 0.25 -1.31 0.04 0.00 -0.02 0.00 0.00 35.03 33.98 3mx6 n LYS 251 CO 0.00 0.00 0.00 1.63 -0.52 0.00 0.00 177.40 178.51 3mx6 n LYS 252 N 0.44 -4.83 -2.49 1.97 4.76 -0.87 -4.91 118.16 112.22 3mx6 n LYS 252 Ca 0.13 0.91 -0.42 0.00 -2.87 0.00 0.00 58.31 56.06 3mx6 n LYS 252 Cb 0.30 -5.75 0.01 0.00 -1.84 0.00 0.00 35.03 27.75 3mx6 n LYS 252 CO 0.00 0.00 0.00 1.28 -1.37 0.00 0.00 177.40 177.31 3mx6 n LEU 253 N -3.98 6.69 0.09 -0.35 4.77 -1.26 -4.77 117.00 118.19 3mx6 n LEU 253 Ca -0.12 -4.82 -0.17 0.00 -0.03 0.00 0.00 56.01 50.87 3mx6 n LEU 253 Cb 0.62 -1.41 -0.14 0.00 -2.33 0.00 0.00 43.42 40.16 3mx6 n LEU 253 CO 0.47 1.51 -0.21 0.44 -1.33 0.00 0.00 177.39 178.27 3mx6 h ASP 254 N 5.57 0.46 -4.98 -1.43 3.45 -1.92 -3.46 116.42 114.10 3mx6 h ASP 254 Ca 0.36 -0.55 -0.04 0.00 0.43 0.00 0.00 57.03 57.23 3mx6 h ASP 254 Cb 0.60 -0.15 -0.16 0.00 -0.56 0.00 0.00 39.33 39.06 3mx6 h ASP 254 CO 1.54 1.44 0.21 -0.72 -1.57 0.00 0.00 179.24 180.14 3mx6 s TYR 255 N -2.63 -0.60 0.68 4.55 -0.85 -1.26 -4.93 117.35 112.30 3mx6 s TYR 255 Ca -0.07 0.80 -0.11 0.00 -0.52 0.00 0.00 57.07 57.18 3mx6 s TYR 255 Cb 0.07 0.47 -0.00 0.00 0.38 0.00 0.00 41.96 42.87 3mx6 s TYR 255 CO 0.88 -0.70 1.05 -1.25 -1.52 0.00 0.00 175.55 174.02 3mx6 s PRO 256 N -2.19 3.06 0.50 -3.49 0.04 -1.26 -4.45 135.00 127.21 3mx6 s PRO 256 Ca -0.06 0.93 -0.21 0.00 0.04 0.00 0.00 61.00 61.70 3mx6 s PRO 256 Cb -0.00 -2.01 -0.07 0.00 0.04 0.00 0.00 34.50 32.46 3mx6 s PRO 256 CO 0.01 -1.01 1.14 -1.25 0.04 0.00 0.00 177.00 175.93 3mx6 s PRO 257 N -5.03 3.56 0.00 0.56 0.04 -1.26 -5.00 135.00 127.86 3mx6 s PRO 257 Ca 0.58 1.66 0.25 0.00 0.04 0.00 0.00 61.00 63.53 3mx6 s PRO 257 Cb -0.14 -2.18 0.48 0.00 0.04 0.00 0.00 34.50 32.70 3mx6 s PRO 257 CO 0.54 -0.69 1.42 0.66 0.04 0.00 0.00 177.00 178.97