#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3din s ILE 2 N 0.00 0.54 0.00 3.17 1.09 -1.26 -4.69 121.20 120.04 3din s ILE 2 Ca 0.00 -0.61 0.00 0.00 -1.10 0.00 0.00 60.65 58.94 3din s ILE 2 Cb 0.00 -1.07 0.00 0.00 -1.06 0.00 0.00 42.46 40.33 3din s ILE 2 CO 0.00 -0.24 0.00 0.18 -0.10 0.00 0.00 174.94 174.78 3din n LEU 3 N 5.04 0.00 0.07 2.97 4.77 -1.26 -4.89 117.00 123.70 3din n LEU 3 Ca -0.09 0.00 0.12 0.00 -0.03 0.00 0.00 56.01 56.02 3din n LEU 3 Cb 0.47 0.00 0.47 0.00 -2.33 0.00 0.00 43.42 42.02 3din n LEU 3 CO 0.13 0.00 0.88 0.49 -1.33 0.00 0.00 177.39 177.56 3din n PHE 4 N 0.00 0.53 -0.01 -1.77 3.01 -1.26 -1.30 117.46 116.67 3din n PHE 4 Ca 0.00 0.17 0.18 0.00 1.01 0.00 0.00 57.45 58.82 3din n PHE 4 Cb 0.00 -0.78 0.65 0.00 -0.01 0.00 0.00 39.48 39.34 3din n PHE 4 CO 0.00 0.00 0.00 0.22 1.01 0.00 0.00 176.76 177.99 3din h ASP 5 N 0.00 0.07 0.00 4.37 3.58 -1.94 0.42 116.42 122.92 3din h ASP 5 Ca 0.00 0.00 -0.21 0.00 0.42 0.00 0.00 57.03 57.24 3din h ASP 5 Cb 0.53 -0.01 -0.03 0.00 1.72 0.00 0.00 39.33 41.54 3din h ASP 5 CO 0.00 0.04 -1.17 0.50 -2.88 0.00 0.00 179.24 175.73 3din h LYS 6 N 0.08 0.01 -0.35 0.28 3.64 -1.47 -2.92 116.57 115.83 3din h LYS 6 Ca 0.25 -0.01 0.02 0.00 -1.27 0.00 0.00 60.65 59.64 3din h LYS 6 Cb 0.89 0.00 -0.03 0.00 -0.41 0.00 0.00 32.23 32.69 3din h LYS 6 CO -0.02 1.00 0.18 -0.91 -2.27 0.00 0.00 179.45 177.43 3din h ASN 7 N -0.98 0.27 -0.33 4.20 4.21 -1.34 -1.61 115.58 120.00 3din h ASN 7 Ca -0.32 0.01 -0.09 0.00 1.21 0.00 0.00 56.30 57.11 3din h ASN 7 Cb 1.29 -0.04 -0.01 0.00 -1.12 0.00 0.00 38.32 38.45 3din h ASN 7 CO -0.19 0.20 -0.16 0.11 -1.29 0.00 0.00 177.43 176.10 3din h LYS 8 N 0.37 0.69 -0.38 0.81 1.79 -0.39 -2.18 116.57 117.28 3din h LYS 8 Ca 0.14 -0.30 0.11 0.00 -2.18 0.00 0.00 60.65 58.42 3din h LYS 8 Cb 0.05 -0.02 -0.02 0.00 -1.58 0.00 0.00 32.23 30.66 3din h LYS 8 CO -0.09 0.90 0.29 0.00 -1.08 0.00 0.00 179.45 179.47 3din h ARG 9 N 0.47 0.00 -0.31 3.15 -0.00 -1.31 0.54 114.38 116.91 3din h ARG 9 Ca 0.07 0.00 -0.15 0.00 -0.50 0.00 0.00 59.98 59.41 3din h ARG 9 Cb 0.69 0.00 -0.00 0.00 0.00 0.00 0.00 29.97 30.66 3din h ARG 9 CO 0.05 0.00 -0.38 0.82 0.00 0.00 0.00 179.97 180.46 3din h ILE 10 N 0.00 1.29 0.00 2.04 1.08 -0.72 -2.66 117.51 118.54 3din h ILE 10 Ca 0.18 -1.56 0.00 0.00 -0.39 0.00 0.00 64.86 63.09 3din h ILE 10 Cb 0.76 1.56 0.00 0.00 -3.07 0.00 0.00 36.82 36.07 3din h ILE 10 CO -0.00 0.51 0.00 -0.11 -0.69 0.00 0.00 178.15 177.86 3din n LEU 11 N -4.15 0.00 -0.32 1.44 7.94 0.18 -1.93 117.00 120.17 3din n LEU 11 Ca -0.04 0.94 0.12 0.00 -1.11 0.00 0.00 56.01 55.92 3din n LEU 11 Cb 0.53 -0.44 0.30 0.00 0.53 0.00 0.00 43.42 44.35 3din n LEU 11 CO 0.47 -0.44 1.12 0.50 -1.11 0.00 0.00 177.39 177.94 3din h LYS 12 N 0.00 0.58 -0.66 1.96 3.64 -1.57 0.30 116.57 120.82 3din h LYS 12 Ca 0.00 -0.03 0.13 0.00 -1.27 0.00 0.00 60.65 59.48 3din h LYS 12 Cb 0.00 -0.13 -0.13 0.00 -0.41 0.00 0.00 32.23 31.56 3din h LYS 12 CO 0.00 0.38 -0.19 0.87 -2.27 0.00 0.00 179.45 178.24 3din h LYS 13 N 0.60 -0.03 0.12 1.90 1.57 -1.01 -0.40 116.57 119.32 3din h LYS 13 Ca 0.55 0.00 -0.29 0.00 -1.87 0.00 0.00 60.65 59.04 3din h LYS 13 Cb 0.93 0.01 -0.00 0.00 0.08 0.00 0.00 32.23 33.25 3din h LYS 13 CO -0.43 -0.02 -1.43 1.88 -0.57 0.00 0.00 179.45 178.88 3din h TYR 14 N -0.03 0.48 -0.04 -1.35 0.99 -0.43 -2.81 116.97 113.78 3din h TYR 14 Ca 0.31 -0.35 0.01 0.00 2.00 0.00 0.00 58.73 60.70 3din h TYR 14 Cb 0.50 -0.02 -0.00 0.00 1.00 0.00 0.00 36.73 38.21 3din h TYR 14 CO -0.56 1.34 0.17 0.00 -0.00 0.00 0.00 178.16 179.12 3din h ALA 15 N 0.52 1.29 0.00 3.88 0.00 0.19 0.49 119.26 125.64 3din h ALA 15 Ca -0.20 -0.00 -0.02 0.00 0.00 0.00 0.00 54.91 54.69 3din h ALA 15 Cb 2.00 0.00 -0.00 0.00 0.00 0.00 0.00 17.79 19.79 3din h ALA 15 CO 0.18 -0.19 -0.37 -0.22 0.00 0.00 0.00 179.25 178.66 3din h LYS 16 N 0.00 0.00 -0.83 0.00 3.64 -1.08 -2.85 116.57 115.45 3din h LYS 16 Ca 0.02 0.00 0.23 0.00 -1.27 0.00 0.00 60.65 59.63 3din h LYS 16 Cb 0.36 0.00 -0.04 0.00 -0.41 0.00 0.00 32.23 32.14 3din h LYS 16 CO -0.00 0.13 0.59 0.52 -2.27 0.00 0.00 179.45 178.42 3din h MET 17 N -1.00 0.07 0.00 1.90 2.86 -1.08 -0.73 114.93 116.95 3din h MET 17 Ca -0.03 -0.00 -0.16 0.00 -2.06 0.00 0.00 59.70 57.45 3din h MET 17 Cb 0.42 -0.01 0.01 0.00 0.06 0.00 0.00 31.60 32.08 3din h MET 17 CO -0.02 0.04 -0.61 -0.24 1.06 0.00 0.00 176.91 177.14 3din h VAL 18 N 0.07 1.43 -0.32 -2.22 3.04 -0.18 -2.66 116.25 115.41 3din h VAL 18 Ca 0.40 -2.09 0.06 0.00 -1.01 0.00 0.00 66.70 64.06 3din h VAL 18 Cb 1.49 2.61 -0.06 0.00 -2.01 0.00 0.00 31.29 33.32 3din h VAL 18 CO -0.03 0.61 -0.05 0.28 -1.01 0.00 0.00 177.57 177.37 3din h SER 19 N -0.10 -0.23 0.91 3.17 0.02 -0.89 0.55 113.55 116.98 3din h SER 19 Ca -0.08 0.09 -0.04 0.00 -0.84 0.00 0.00 61.79 60.92 3din h SER 19 Cb 1.33 0.17 0.00 0.00 0.14 0.00 0.00 62.40 64.04 3din h SER 19 CO 0.12 -0.08 -0.49 0.11 -1.14 0.00 0.00 176.83 175.35 3din h LYS 20 N 0.04 -1.25 -0.45 3.45 1.57 -1.55 -2.50 116.57 115.88 3din h LYS 20 Ca 0.15 0.09 0.12 0.00 -1.87 0.00 0.00 60.65 59.14 3din h LYS 20 Cb 0.22 0.28 -0.02 0.00 0.08 0.00 0.00 32.23 32.80 3din h LYS 20 CO -0.30 -0.83 0.32 0.97 -0.57 0.00 0.00 179.45 179.04 3din h ILE 21 N -1.30 0.79 -0.60 1.86 2.10 -1.22 0.36 117.51 119.51 3din h ILE 21 Ca -0.12 -0.01 -0.05 0.00 1.08 0.00 0.00 64.86 65.75 3din h ILE 21 Cb 1.02 0.75 -0.03 0.00 -1.09 0.00 0.00 36.82 37.46 3din h ILE 21 CO 0.17 0.01 0.18 -1.13 -1.08 0.00 0.00 178.15 176.29 3din h ASN 22 N 0.04 0.85 0.35 2.19 -0.00 0.49 -1.25 115.58 118.26 3din h ASN 22 Ca 0.21 -0.14 -0.10 0.00 -0.00 0.00 0.00 56.30 56.27 3din h ASN 22 Cb 0.80 -0.22 -0.01 0.00 -0.00 0.00 0.00 38.32 38.89 3din h ASN 22 CO -0.01 0.81 -0.42 1.56 -0.00 0.00 0.00 177.43 179.37 3din h GLN 23 N 0.89 0.09 -0.09 6.67 1.08 -0.51 -2.74 115.11 120.50 3din h GLN 23 Ca 0.20 -0.04 0.01 0.00 -1.45 0.00 0.00 58.65 57.37 3din h GLN 23 Cb 0.27 -0.00 -0.01 0.00 -0.05 0.00 0.00 27.48 27.69 3din h GLN 23 CO -0.01 0.50 0.02 0.82 -0.95 0.00 0.00 178.83 179.21 3din h ILE 24 N 0.08 0.96 -0.04 2.54 2.04 -0.85 -2.03 117.51 120.21 3din h ILE 24 Ca 0.00 -0.02 -0.05 0.00 1.00 0.00 0.00 64.86 65.80 3din h ILE 24 Cb 0.78 0.90 -0.01 0.00 -0.74 0.00 0.00 36.82 37.76 3din h ILE 24 CO 0.06 0.01 -0.21 -0.08 0.00 0.00 0.00 178.15 177.93 3din h GLU 25 N 0.05 0.06 0.41 2.37 4.81 -1.36 -3.18 114.58 117.75 3din h GLU 25 Ca 0.04 -0.01 -0.01 0.00 -0.13 0.00 0.00 59.36 59.24 3din h GLU 25 Cb 0.03 -0.01 -0.01 0.00 0.63 0.00 0.00 28.75 29.39 3din h GLU 25 CO -0.05 0.27 -0.31 1.03 -0.73 0.00 0.00 179.01 179.22 3din h SER 26 N 0.06 -0.81 -0.13 1.04 0.87 -1.06 -2.88 113.55 110.63 3din h SER 26 Ca 0.01 0.06 0.00 0.00 -1.23 0.00 0.00 61.79 60.63 3din h SER 26 Cb 0.40 0.26 0.00 0.00 -0.44 0.00 0.00 62.40 62.62 3din h SER 26 CO 0.03 -0.46 0.00 -0.90 -0.53 0.00 0.00 176.83 174.96 3din n ASP 27 N -5.43 2.04 -0.14 6.23 5.75 -1.11 -3.68 116.55 120.21 3din n ASP 27 Ca -0.10 -2.20 0.02 0.00 -0.01 0.00 0.00 54.79 52.50 3din n ASP 27 Cb 0.33 -0.52 0.00 0.00 -1.03 0.00 0.00 41.12 39.90 3din n ASP 27 CO 0.00 0.00 0.00 -0.11 -0.11 0.00 0.00 177.20 176.98 3din n LEU 28 N 0.14 1.01 -0.23 -2.12 7.94 -1.09 -4.59 117.00 118.06 3din n LEU 28 Ca 0.06 -0.82 0.00 0.00 -1.11 0.00 0.00 56.01 54.14 3din n LEU 28 Cb 0.45 0.00 0.00 0.00 0.53 0.00 0.00 43.42 44.40 3din n LEU 28 CO 0.07 0.22 0.19 -1.14 -1.11 0.00 0.00 177.39 175.62 3din n ARG 29 N -0.20 0.49 -0.20 1.96 3.00 -1.24 -4.16 116.66 116.31 3din n ARG 29 Ca 0.02 0.00 0.00 0.00 -0.00 0.00 0.00 57.85 57.87 3din n ARG 29 Cb 0.11 -1.11 0.00 0.00 0.00 0.00 0.00 32.46 31.46 3din n ARG 29 CO 0.00 0.00 0.00 0.43 0.00 0.00 0.00 177.63 178.06 3din n SER 30 N -0.16 2.70 -2.86 6.15 7.64 -1.26 -4.67 113.62 121.16 3din n SER 30 Ca 0.00 -1.62 -0.15 0.00 1.01 0.00 0.00 58.87 58.11 3din n SER 30 Cb 0.06 -0.55 -0.01 0.00 -1.01 0.00 0.00 64.21 62.70 3din n SER 30 CO 0.00 0.00 0.00 0.29 -3.01 0.00 0.00 175.04 172.32 3din n LYS 31 N 1.41 -2.77 -1.54 1.43 5.02 -1.26 -4.77 118.16 115.68 3din n LYS 31 Ca 0.00 0.44 -0.25 0.00 -2.02 0.00 0.00 58.31 56.47 3din n LYS 31 Cb 0.29 -5.06 -0.08 0.00 -0.02 0.00 0.00 35.03 30.16 3din n LYS 31 CO 0.00 0.00 0.00 1.63 -0.52 0.00 0.00 177.40 178.51 3din n LYS 32 N -3.14 0.62 0.00 1.97 4.01 -1.26 -4.76 118.16 115.60 3din n LYS 32 Ca -0.06 -0.36 0.00 0.00 -0.51 0.00 0.00 58.31 57.37 3din n LYS 32 Cb 0.56 -3.10 0.00 0.00 -0.51 0.00 0.00 35.03 31.98 3din n LYS 32 CO 0.00 0.00 0.00 0.09 -1.11 0.00 0.00 177.40 176.38 3din n ASN 33 N 15.49 0.00 0.11 4.39 5.03 -1.26 -3.74 115.26 135.28 3din n ASN 33 Ca 0.47 0.00 0.10 0.00 0.87 0.00 0.00 54.58 56.03 3din n ASN 33 Cb 0.40 0.00 0.59 0.00 -1.02 0.00 0.00 39.78 39.75 3din n ASN 33 CO 0.00 0.00 0.00 -1.28 -1.83 0.00 0.00 177.26 174.15 3din h SER 34 N 0.00 0.14 0.07 6.41 0.87 -1.86 0.16 113.55 119.34 3din h SER 34 Ca 0.00 -0.00 -0.11 0.00 -1.23 0.00 0.00 61.79 60.45 3din h SER 34 Cb 0.00 -0.03 -0.01 0.00 -0.44 0.00 0.00 62.40 61.92 3din h SER 34 CO 0.00 0.10 -0.35 -0.08 -0.53 0.00 0.00 176.83 175.97 3din h GLU 35 N 0.17 0.39 -0.47 2.24 4.81 -1.92 -1.76 114.58 118.04 3din h GLU 35 Ca 0.12 -0.17 -0.13 0.00 -0.13 0.00 0.00 59.36 59.05 3din h GLU 35 Cb 0.28 -0.01 -0.01 0.00 0.63 0.00 0.00 28.75 29.63 3din h GLU 35 CO -0.02 0.70 -0.22 1.25 -0.73 0.00 0.00 179.01 179.99 3din h LEU 36 N 0.34 1.01 -0.72 1.64 7.12 -0.83 -0.81 115.31 123.06 3din h LEU 36 Ca 0.04 -0.40 0.07 0.00 0.13 0.00 0.00 57.88 57.72 3din h LEU 36 Cb 0.78 -0.28 -0.06 0.00 -0.53 0.00 0.00 40.66 40.57 3din h LEU 36 CO 0.06 1.18 0.39 0.40 -0.13 0.00 0.00 178.44 180.35 3din h ILE 37 N 0.83 0.93 -0.03 4.05 2.04 -0.80 0.53 117.51 125.05 3din h ILE 37 Ca 0.11 -0.24 -0.03 0.00 1.00 0.00 0.00 64.86 65.70 3din h ILE 37 Cb 0.80 0.17 -0.01 0.00 -0.74 0.00 0.00 36.82 37.04 3din h ILE 37 CO 0.07 0.13 -0.10 0.03 0.00 0.00 0.00 178.15 178.27 3din h ARG 38 N 0.70 0.05 0.00 2.37 3.08 -0.72 -0.03 114.38 119.82 3din h ARG 38 Ca 0.34 -0.01 -0.08 0.00 0.07 0.00 0.00 59.98 60.29 3din h ARG 38 Cb 0.27 -0.01 -0.01 0.00 0.08 0.00 0.00 29.97 30.30 3din h ARG 38 CO -0.22 0.15 -0.40 1.25 -1.07 0.00 0.00 179.97 179.69 3din h LEU 39 N 0.05 0.00 -0.73 3.04 6.46 0.14 0.35 115.31 124.62 3din h LEU 39 Ca 0.01 0.00 -0.14 0.00 -0.12 0.00 0.00 57.88 57.64 3din h LEU 39 Cb 0.21 0.00 -0.01 0.00 -0.73 0.00 0.00 40.66 40.13 3din h LEU 39 CO 0.01 0.40 -0.58 -1.28 -0.62 0.00 0.00 178.44 176.38 3din h SER 40 N 0.00 0.20 0.47 1.25 0.87 0.10 -1.45 113.55 114.98 3din h SER 40 Ca -0.00 -0.11 -0.30 0.00 -1.23 0.00 0.00 61.79 60.14 3din h SER 40 Cb 0.97 -0.06 0.02 0.00 -0.44 0.00 0.00 62.40 62.90 3din h SER 40 CO 0.05 0.73 -1.35 0.24 -0.53 0.00 0.00 176.83 175.97 3din h MET 41 N 0.13 0.40 0.66 2.24 2.86 -0.87 -2.68 114.93 117.67 3din h MET 41 Ca -0.00 -0.68 -0.03 0.00 -2.06 0.00 0.00 59.70 56.93 3din h MET 41 Cb 1.05 0.25 -0.00 0.00 0.06 0.00 0.00 31.60 32.96 3din h MET 41 CO 0.09 1.32 -0.41 0.28 1.06 0.00 0.00 176.91 179.25 3din h VAL 42 N 0.11 0.00 -0.84 -2.22 2.07 -0.09 -2.63 116.25 112.64 3din h VAL 42 Ca -0.19 0.00 0.01 0.00 0.82 0.00 0.00 66.70 67.34 3din h VAL 42 Cb 2.07 0.00 -0.04 0.00 -1.52 0.00 0.00 31.29 31.79 3din h VAL 42 CO 0.24 0.00 0.56 -0.07 0.02 0.00 0.00 177.57 178.32 3din h LEU 43 N -1.00 0.97 -0.76 2.57 3.38 -1.42 -1.38 115.31 117.67 3din h LEU 43 Ca -0.09 -0.02 0.13 0.00 0.09 0.00 0.00 57.88 57.99 3din h LEU 43 Cb 0.80 -0.24 -0.14 0.00 0.09 0.00 0.00 40.66 41.18 3din h LEU 43 CO 0.09 0.70 -0.32 0.50 0.09 0.00 0.00 178.44 179.49 3din h LYS 44 N 1.14 -0.08 -0.19 1.13 3.64 -1.23 0.35 116.57 121.33 3din h LYS 44 Ca 0.31 0.01 0.00 0.00 -1.27 0.00 0.00 60.65 59.70 3din h LYS 44 Cb -0.13 0.02 0.00 0.00 -0.41 0.00 0.00 32.23 31.71 3din h LYS 44 CO -0.07 -0.05 0.00 0.39 -2.27 0.00 0.00 179.45 177.45 3din n GLU 45 N -5.47 1.93 0.04 1.90 1.02 -1.00 -4.04 120.64 115.02 3din n GLU 45 Ca 0.07 -1.39 0.13 0.00 -0.02 0.00 0.00 57.16 55.96 3din n GLU 45 Cb 0.38 -1.43 0.47 0.00 -0.02 0.00 0.00 31.44 30.84 3din n GLU 45 CO 0.00 0.00 0.00 1.63 1.18 0.00 0.00 177.13 179.94 3din n LYS 46 N 0.62 0.11 0.00 3.49 5.02 0.12 -4.68 118.16 122.84 3din n LYS 46 Ca 0.17 0.08 0.00 0.00 -2.02 0.00 0.00 58.31 56.54 3din n LYS 46 Cb 0.41 -1.61 0.00 0.00 -0.02 0.00 0.00 35.03 33.80 3din n LYS 46 CO 0.00 0.00 0.00 0.28 -0.52 0.00 0.00 177.40 177.16 3din n VAL 47 N -1.80 0.00 -0.89 -0.18 0.31 -1.19 -5.00 118.33 109.59 3din n VAL 47 Ca 0.06 0.00 0.00 0.00 -0.01 0.00 0.00 64.34 64.39 3din n VAL 47 Cb 0.38 -0.41 0.00 0.00 -0.91 0.00 0.00 33.84 32.89 3din n VAL 47 CO 0.00 0.00 0.00 0.59 -1.32 0.00 0.00 176.83 176.10 3din n ASN 48 N -1.61 -4.94 -3.59 4.52 4.13 -1.26 -4.86 115.26 107.65 3din n ASN 48 Ca 0.00 0.00 -0.11 0.00 1.68 0.00 0.00 54.58 56.15 3din n ASN 48 Cb 0.00 -3.23 -0.06 0.00 -1.54 0.00 0.00 39.78 34.95 3din n ASN 48 CO 0.00 0.00 0.00 -0.94 0.28 0.00 0.00 177.26 176.60 3din s SER 49 N -1.91 -0.41 0.00 6.41 1.04 -1.26 -4.89 113.70 112.68 3din s SER 49 Ca 0.00 0.56 -0.01 0.00 0.48 0.00 0.00 55.95 56.98 3din s SER 49 Cb 0.00 0.49 -0.05 0.00 0.10 0.00 0.00 66.02 66.56 3din s SER 49 CO 0.00 -0.30 1.35 2.22 0.98 0.00 0.00 173.24 177.49 3din n PHE 50 N 1.18 0.00 1.48 5.02 1.16 -1.26 -4.27 117.46 120.77 3din n PHE 50 Ca -0.11 -0.57 0.03 0.00 -1.87 0.00 0.00 57.45 54.92 3din n PHE 50 Cb 0.57 -0.60 0.16 0.00 -1.61 0.00 0.00 39.48 38.00 3din n PHE 50 CO 0.00 0.00 0.00 -0.85 -1.87 0.00 0.00 176.76 174.04 3din n GLU 51 N 2.15 0.74 -3.47 3.97 -0.00 -1.26 -4.84 120.64 117.92 3din n GLU 51 Ca 0.08 0.00 -0.18 0.00 -0.00 0.00 0.00 57.16 57.06 3din n GLU 51 Cb 0.32 -1.11 0.08 0.00 -0.00 0.00 0.00 31.44 30.73 3din n GLU 51 CO 0.00 0.00 0.00 -0.25 0.00 0.00 0.00 177.13 176.88 3din n ASP 52 N -0.61 -2.22 -4.52 -1.84 8.00 -1.26 -4.80 116.55 109.30 3din n ASP 52 Ca 0.04 -0.64 -0.13 0.00 0.71 0.00 0.00 54.79 54.78 3din n ASP 52 Cb 0.02 -5.00 -0.10 0.00 -0.02 0.00 0.00 41.12 36.02 3din n ASP 52 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 3din n ALA 53 N -4.20 0.25 0.02 2.24 0.00 -1.26 -4.80 120.51 112.76 3din n ALA 53 Ca -0.27 -1.97 -0.02 0.00 0.00 0.00 0.00 53.44 51.18 3din n ALA 53 Cb 0.66 -3.05 -0.01 0.00 0.00 0.00 0.00 19.45 17.05 3din n ALA 53 CO 0.00 0.00 0.00 -0.44 0.00 0.00 0.00 177.50 177.06 3din h ASP 54 N 11.57 -0.17 -0.77 0.00 3.45 -2.02 -2.97 116.42 125.51 3din h ASP 54 Ca 0.00 0.02 0.30 0.00 0.43 0.00 0.00 57.03 57.77 3din h ASP 54 Cb 1.00 0.06 -0.14 0.00 -0.56 0.00 0.00 39.33 39.69 3din h ASP 54 CO 1.01 -0.07 0.32 -0.62 -1.57 0.00 0.00 179.24 178.32 3din n GLU 55 N -2.70 -0.05 -0.01 3.56 1.02 -1.26 0.76 120.64 121.97 3din n GLU 55 Ca -0.01 1.08 -0.09 0.00 -0.02 0.00 0.00 57.16 58.12 3din n GLU 55 Cb 0.05 -1.89 -0.03 0.00 -0.02 0.00 0.00 31.44 29.54 3din n GLU 55 CO 0.00 0.00 0.00 0.45 1.18 0.00 0.00 177.13 178.76 3din h HIS 56 N 0.00 -0.30 -1.01 -0.32 3.86 -1.92 -0.72 115.15 114.73 3din h HIS 56 Ca 0.61 0.02 0.29 0.00 -1.16 0.00 0.00 60.37 60.13 3din h HIS 56 Cb 1.56 0.16 -0.04 0.00 1.06 0.00 0.00 27.41 30.14 3din h HIS 56 CO -0.10 -0.18 0.96 -0.07 0.86 0.00 0.00 177.93 179.40 3din h LEU 57 N -0.14 0.00 0.12 2.43 3.38 0.33 1.06 115.31 122.49 3din h LEU 57 Ca 0.09 0.00 -0.01 0.00 0.09 0.00 0.00 57.88 58.05 3din h LEU 57 Cb 0.27 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.02 3din h LEU 57 CO -0.22 0.00 -0.06 -0.26 0.09 0.00 0.00 178.44 177.99 3din h PHE 58 N 0.00 -0.15 0.00 1.13 -1.00 -1.18 -2.17 116.94 113.56 3din h PHE 58 Ca 0.48 -0.00 -0.14 0.00 2.81 0.00 0.00 57.97 61.12 3din h PHE 58 Cb 2.39 0.05 -0.02 0.00 3.61 0.00 0.00 35.95 41.98 3din h PHE 58 CO 0.00 0.03 -0.66 1.05 -1.61 0.00 0.00 178.31 177.12 3din h GLU 59 N -1.02 0.00 0.32 1.51 4.11 -1.13 -2.73 114.58 115.63 3din h GLU 59 Ca -0.02 0.00 -0.02 0.00 0.07 0.00 0.00 59.36 59.40 3din h GLU 59 Cb 0.25 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.51 3din h GLU 59 CO 0.03 0.66 -0.15 0.00 0.07 0.00 0.00 179.01 179.62 3din h ALA 60 N 1.34 -0.42 -0.94 1.06 0.00 0.97 -1.72 119.26 119.55 3din h ALA 60 Ca -0.01 -0.19 0.14 0.00 0.00 0.00 0.00 54.91 54.85 3din h ALA 60 Cb 1.21 0.16 -0.09 0.00 0.00 0.00 0.00 17.79 19.07 3din h ALA 60 CO 0.09 -0.53 0.56 0.74 0.00 0.00 0.00 179.25 180.10 3din h PHE 61 N -0.84 0.99 -0.27 0.00 0.05 -1.46 0.43 116.94 115.84 3din h PHE 61 Ca -0.04 0.03 0.06 0.00 3.82 0.00 0.00 57.97 61.84 3din h PHE 61 Cb 0.52 -0.30 -0.05 0.00 2.00 0.00 0.00 35.95 38.11 3din h PHE 61 CO 0.03 0.32 -0.09 0.00 -0.18 0.00 0.00 178.31 178.40 3din h ALA 62 N 1.56 0.15 -0.75 2.45 0.00 -1.37 0.77 119.26 122.07 3din h ALA 62 Ca 0.49 0.11 -0.01 0.00 0.00 0.00 0.00 54.91 55.50 3din h ALA 62 Cb 0.60 0.24 -0.04 0.00 0.00 0.00 0.00 17.79 18.60 3din h ALA 62 CO -0.31 -0.49 0.45 1.25 0.00 0.00 0.00 179.25 180.15 3din h LEU 63 N -0.03 0.90 0.00 0.00 6.46 0.26 -2.41 115.31 120.48 3din h LEU 63 Ca 0.13 -0.05 0.00 0.00 -0.12 0.00 0.00 57.88 57.84 3din h LEU 63 Cb 0.23 -0.23 0.00 0.00 -0.73 0.00 0.00 40.66 39.94 3din h LEU 63 CO -0.30 0.69 0.00 0.52 -0.62 0.00 0.00 178.44 178.74 3din n VAL 64 N -4.38 0.00 -0.32 1.05 0.31 0.12 0.98 118.33 116.09 3din n VAL 64 Ca 0.08 1.44 -0.05 0.00 -0.01 0.00 0.00 64.34 65.79 3din n VAL 64 Cb 0.07 -2.29 -0.01 0.00 -0.91 0.00 0.00 33.84 30.70 3din n VAL 64 CO 0.00 0.00 0.00 -0.09 -1.32 0.00 0.00 176.83 175.42 3din h ARG 65 N 0.00 -0.08 -0.89 5.55 2.43 -1.15 0.31 114.38 120.56 3din h ARG 65 Ca 0.00 0.01 0.01 0.00 -0.81 0.00 0.00 59.98 59.19 3din h ARG 65 Cb 0.00 0.02 -0.05 0.00 -0.42 0.00 0.00 29.97 29.52 3din h ARG 65 CO 0.00 -0.05 0.59 1.49 -1.51 0.00 0.00 179.97 180.49 3din h GLU 66 N -0.08 1.16 -0.98 0.20 4.57 -1.35 -0.68 114.58 117.43 3din h GLU 66 Ca 0.25 -0.07 0.17 0.00 -1.18 0.00 0.00 59.36 58.53 3din h GLU 66 Cb 0.55 -0.26 -0.09 0.00 -0.16 0.00 0.00 28.75 28.79 3din h GLU 66 CO -0.87 0.77 0.61 0.00 -1.18 0.00 0.00 179.01 178.34 3din h ALA 67 N 1.33 1.74 0.40 2.92 0.00 0.44 -0.48 119.26 125.61 3din h ALA 67 Ca 0.33 0.05 -0.02 0.00 0.00 0.00 0.00 54.91 55.27 3din h ALA 67 Cb -0.12 -0.11 0.00 0.00 0.00 0.00 0.00 17.79 17.56 3din h ALA 67 CO -0.08 -0.06 -0.19 0.00 0.00 0.00 0.00 179.25 178.92 3din h ALA 68 N 1.61 -0.54 -1.07 0.00 0.00 0.22 -2.38 119.26 117.09 3din h ALA 68 Ca 0.53 -0.18 0.42 0.00 0.00 0.00 0.00 54.91 55.67 3din h ALA 68 Cb 0.82 0.21 -0.17 0.00 0.00 0.00 0.00 17.79 18.65 3din h ALA 68 CO -0.30 -0.59 0.61 -0.09 0.00 0.00 0.00 179.25 178.88 3din h ARG 69 N -0.97 0.04 -0.01 0.00 9.65 0.14 1.13 114.38 124.35 3din h ARG 69 Ca -0.06 -0.00 -0.02 0.00 -1.10 0.00 0.00 59.98 58.80 3din h ARG 69 Cb 0.55 -0.01 0.00 0.00 -1.39 0.00 0.00 29.97 29.12 3din h ARG 69 CO 0.09 0.02 -0.08 0.00 2.80 0.00 0.00 179.97 182.81 3din h ARG 70 N 0.04 0.08 -0.01 0.20 3.08 -1.08 -3.37 114.38 113.31 3din h ARG 70 Ca 0.84 -0.06 -0.01 0.00 0.07 0.00 0.00 59.98 60.82 3din h ARG 70 Cb 2.30 0.01 0.00 0.00 0.08 0.00 0.00 29.97 32.36 3din h ARG 70 CO -0.69 0.75 -0.04 1.79 -1.07 0.00 0.00 179.97 180.70 3din h THR 71 N -0.58 1.52 -1.96 2.04 1.35 -0.06 -3.48 112.91 111.74 3din h THR 71 Ca -0.01 -1.58 -0.04 0.00 -0.55 0.00 0.00 66.41 64.24 3din h THR 71 Cb 0.77 2.55 -0.21 0.00 -1.73 0.00 0.00 68.15 69.53 3din h THR 71 CO 0.02 0.42 0.18 -0.76 -0.25 0.00 0.00 175.52 175.12 3din s LEU 72 N -8.86 -0.69 0.00 3.87 1.43 0.36 -4.68 118.68 110.10 3din s LEU 72 Ca -0.17 1.12 0.00 0.00 -1.03 0.00 0.00 54.13 54.05 3din s LEU 72 Cb 0.01 2.44 0.00 0.00 0.03 0.00 0.00 46.19 48.67 3din s LEU 72 CO 0.69 -0.38 0.00 0.61 0.23 0.00 0.00 176.35 177.50 3din n GLY 73 N 1.95 -2.91 2.70 -3.19 0.00 -1.26 -3.20 105.19 99.29 3din n GLY 73 Ca -0.16 -0.86 -0.04 0.00 0.00 0.00 0.00 46.02 44.96 3din n GLY 73 CO 0.00 0.00 0.00 1.03 0.00 0.00 0.00 173.32 174.35 3din n MET 74 N 0.00 -2.65 -0.16 1.61 2.81 -1.26 -4.63 117.12 112.84 3din n MET 74 Ca 0.00 2.27 -0.00 0.00 -1.81 0.00 0.00 57.70 58.16 3din n MET 74 Cb 0.00 -5.26 -0.00 0.00 -0.71 0.00 0.00 33.22 27.25 3din n MET 74 CO 0.00 0.00 0.00 2.89 1.51 0.00 0.00 175.97 180.37 3din n ARG 75 N 0.08 0.00 0.00 0.03 -4.01 -1.26 -4.83 116.66 106.67 3din n ARG 75 Ca 0.07 -0.02 0.09 0.00 -1.04 0.00 0.00 57.85 56.95 3din n ARG 75 Cb 0.25 0.10 -0.08 0.00 -3.04 0.00 0.00 32.46 29.70 3din n ARG 75 CO 0.00 0.00 0.00 -0.35 -3.04 0.00 0.00 177.63 174.24 3din n PRO 76 N 0.00 0.88 -1.65 2.89 -0.04 -1.26 -4.97 135.00 130.85 3din n PRO 76 Ca -0.01 -0.30 -0.29 0.00 -0.04 0.00 0.00 63.50 62.86 3din n PRO 76 Cb 0.11 -1.41 0.12 0.00 -0.04 0.00 0.00 33.50 32.28 3din n PRO 76 CO 0.00 0.00 0.00 -0.06 -0.04 0.00 0.00 175.50 175.40 3din s PHE 77 N -2.65 2.59 -0.15 0.54 0.08 -1.26 -5.04 117.98 112.09 3din s PHE 77 Ca 0.10 0.80 0.08 0.00 0.12 0.00 0.00 56.93 58.04 3din s PHE 77 Cb 0.15 -3.45 -0.15 0.00 -0.57 0.00 0.00 43.02 39.01 3din s PHE 77 CO 0.70 -2.22 -0.02 -0.25 -0.10 0.00 0.00 175.22 173.33 3din n ASP 78 N -3.65 2.04 0.00 1.36 8.00 -1.26 -4.06 116.55 118.98 3din n ASP 78 Ca 0.07 -0.03 0.01 0.00 0.71 0.00 0.00 54.79 55.55 3din n ASP 78 Cb 0.60 0.45 0.04 0.00 -0.02 0.00 0.00 41.12 42.19 3din n ASP 78 CO 0.00 0.00 0.00 1.33 -0.39 0.00 0.00 177.20 178.14 3din n VAL 79 N -2.67 0.93 -0.13 2.53 0.24 -1.26 0.23 118.33 118.19 3din n VAL 79 Ca -0.25 0.23 -0.28 0.00 -2.04 0.00 0.00 64.34 62.01 3din n VAL 79 Cb 0.90 -1.21 -0.09 0.00 -1.47 0.00 0.00 33.84 31.97 3din n VAL 79 CO 0.00 0.00 0.00 0.00 -2.14 0.00 0.00 176.83 174.69 3din n GLN 80 N -1.24 0.55 0.10 7.34 10.64 -1.26 -2.10 117.38 131.41 3din n GLN 80 Ca 0.01 0.24 -0.04 0.00 -1.83 0.00 0.00 57.00 55.38 3din n GLN 80 Cb 0.01 -1.43 -0.02 0.00 -0.86 0.00 0.00 30.24 27.94 3din n GLN 80 CO 0.00 0.00 0.00 0.28 -1.83 0.00 0.00 177.06 175.51 3din h VAL 81 N -0.90 0.00 -0.22 -0.39 2.07 0.11 0.66 116.25 117.58 3din h VAL 81 Ca -0.66 -0.00 0.06 0.00 0.82 0.00 0.00 66.70 66.92 3din h VAL 81 Cb 1.59 0.00 -0.01 0.00 -1.52 0.00 0.00 31.29 31.35 3din h VAL 81 CO -0.39 0.00 0.26 0.24 0.02 0.00 0.00 177.57 177.70 3din h MET 82 N -0.25 0.00 0.03 1.57 2.86 0.25 -1.44 114.93 117.96 3din h MET 82 Ca -0.03 0.00 -0.00 0.00 -2.06 0.00 0.00 59.70 57.61 3din h MET 82 Cb 0.19 0.00 -0.00 0.00 0.06 0.00 0.00 31.60 31.85 3din h MET 82 CO 0.04 0.00 -0.02 0.78 1.06 0.00 0.00 176.91 178.77 3din h GLY 83 N 0.00 -0.56 -0.49 8.32 0.00 -0.61 -1.15 103.07 108.58 3din h GLY 83 Ca 0.10 0.24 0.29 0.00 0.00 0.00 0.00 47.33 47.97 3din h GLY 83 CO -0.00 -0.21 0.47 -1.33 0.00 0.00 0.00 176.54 175.47 3din h GLY 84 N -0.05 1.86 0.00 4.60 0.00 0.13 0.83 103.07 110.44 3din h GLY 84 Ca -0.00 -0.18 0.00 0.00 0.00 0.00 0.00 47.33 47.14 3din h GLY 84 CO 0.00 -0.45 0.00 1.39 0.00 0.00 0.00 176.54 177.48 3din n ILE 85 N -5.10 0.00 -0.28 2.60 2.08 -0.92 0.13 119.36 117.88 3din n ILE 85 Ca 0.29 1.06 0.22 0.00 0.56 0.00 0.00 62.75 64.88 3din n ILE 85 Cb 0.89 -1.81 0.54 0.00 -0.75 0.00 0.00 39.64 38.51 3din n ILE 85 CO 0.00 0.00 0.00 0.00 0.56 0.00 0.00 176.55 177.11 3din h ALA 86 N -1.94 2.34 0.03 -1.39 0.00 -0.66 0.18 119.26 117.81 3din h ALA 86 Ca 0.00 0.03 0.03 0.00 0.00 0.00 0.00 54.91 54.96 3din h ALA 86 Cb 0.00 0.01 -0.04 0.00 0.00 0.00 0.00 17.79 17.76 3din h ALA 86 CO 0.00 -0.67 -0.25 -0.07 0.00 0.00 0.00 179.25 178.26 3din h LEU 87 N 0.34 -0.72 -2.39 0.00 3.38 0.15 0.44 115.31 116.52 3din h LEU 87 Ca 0.52 0.09 0.03 0.00 0.09 0.00 0.00 57.88 58.61 3din h LEU 87 Cb 1.43 0.29 -0.00 0.00 0.09 0.00 0.00 40.66 42.46 3din h LEU 87 CO -0.20 -0.32 0.13 -0.74 0.09 0.00 0.00 178.44 177.40 3din h HIS 88 N -0.40 0.00 0.22 1.13 2.76 0.41 -1.78 115.15 117.49 3din h HIS 88 Ca 0.05 0.00 -0.30 0.00 -2.20 0.00 0.00 60.37 57.92 3din h HIS 88 Cb 0.47 0.00 0.03 0.00 1.55 0.00 0.00 27.41 29.46 3din h HIS 88 CO -0.27 0.00 -1.31 1.49 -1.30 0.00 0.00 177.93 176.54 3din h GLU 89 N 0.00 0.50 0.00 5.26 4.81 0.34 -3.50 114.58 121.98 3din h GLU 89 Ca 0.04 -0.83 0.00 0.00 -0.13 0.00 0.00 59.36 58.44 3din h GLU 89 Cb 0.30 0.31 0.00 0.00 0.63 0.00 0.00 28.75 29.99 3din h GLU 89 CO -0.00 1.40 0.00 0.41 -0.73 0.00 0.00 179.01 180.08 3din n GLY 90 N 1.68 0.73 0.00 1.92 0.00 0.11 -4.95 105.19 104.69 3din n GLY 90 Ca -0.16 -0.71 0.00 0.00 0.00 0.00 0.00 46.02 45.15 3din n GLY 90 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 3din n LYS 91 N 0.00 0.00 -3.22 1.61 5.02 -1.17 -3.57 118.16 116.82 3din n LYS 91 Ca 0.00 0.00 -0.02 0.00 -2.02 0.00 0.00 58.31 56.27 3din n LYS 91 Cb 0.00 0.00 -0.03 0.00 -0.02 0.00 0.00 35.03 34.98 3din n LYS 91 CO 0.00 0.00 0.00 0.14 -0.52 0.00 0.00 177.40 177.02 3din s VAL 92 N 1.82 -0.83 0.89 -0.18 -7.23 -0.95 0.16 120.40 114.09 3din s VAL 92 Ca 0.00 -0.16 -0.12 0.00 -1.81 0.00 0.00 61.98 59.90 3din s VAL 92 Cb 0.00 -0.89 0.18 0.00 0.56 0.00 0.00 36.38 36.23 3din s VAL 92 CO 0.00 -0.14 1.23 0.00 -0.31 0.00 0.00 175.10 175.88 3din s ALA 93 N 2.57 2.66 0.00 1.32 0.00 -1.22 -1.97 121.76 125.12 3din s ALA 93 Ca 0.11 -1.36 0.00 0.00 0.00 0.00 0.00 51.96 50.71 3din s ALA 93 Cb -0.11 -2.55 0.00 0.00 0.00 0.00 0.00 23.12 20.46 3din s ALA 93 CO -0.25 -2.16 0.00 0.39 0.00 0.00 0.00 175.76 173.74 3din n GLU 94 N -3.50 0.00 0.00 0.00 -0.58 -1.23 -2.38 120.64 112.95 3din n GLU 94 Ca 0.15 0.00 0.00 0.00 -0.42 0.00 0.00 57.16 56.89 3din n GLU 94 Cb 0.60 0.00 0.00 0.00 -0.57 0.00 0.00 31.44 31.47 3din n GLU 94 CO 0.00 0.00 0.00 -0.12 -0.48 0.00 0.00 177.13 176.53 3din n MET 95 N 0.00 0.00 0.00 3.49 1.56 -1.23 -3.54 117.12 117.40 3din n MET 95 Ca 0.00 0.00 0.00 0.00 -0.27 0.00 0.00 57.70 57.43 3din n MET 95 Cb 0.00 0.00 0.00 0.00 2.15 0.00 0.00 33.22 35.37 3din n MET 95 CO 0.00 0.00 0.00 0.36 -0.73 0.00 0.00 175.97 175.60 3din n LYS 96 N 0.00 0.00 -1.06 2.12 2.85 -1.26 -4.92 118.16 115.90 3din n LYS 96 Ca 0.00 0.00 0.00 0.00 -1.05 0.00 0.00 58.31 57.26 3din n LYS 96 Cb 0.00 0.00 0.00 0.00 -0.65 0.00 0.00 35.03 34.38 3din n LYS 96 CO 0.00 0.00 0.00 2.41 -0.05 0.00 0.00 177.40 179.76 3din n THR 97 N -0.30 -5.79 0.00 0.58 -1.04 -1.15 -4.65 114.28 101.92 3din n THR 97 Ca 0.00 1.37 0.00 0.00 -2.04 0.00 0.00 64.05 63.38 3din n THR 97 Cb 0.00 -3.08 0.00 0.00 -1.82 0.00 0.00 70.33 65.43 3din n THR 97 CO 0.00 0.00 0.00 0.61 -0.64 0.00 0.00 175.07 175.04 3din n GLY 98 N 0.55 1.25 5.89 3.41 0.00 -1.25 -4.50 105.19 110.55 3din n GLY 98 Ca 0.00 0.36 0.00 0.00 0.00 0.00 0.00 46.02 46.38 3din n GLY 98 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 3din n GLU 99 N 0.00 0.00 0.00 1.61 1.02 -1.26 -4.43 120.64 117.57 3din n GLU 99 Ca 0.00 0.00 0.00 0.00 -0.02 0.00 0.00 57.16 57.14 3din n GLU 99 Cb 0.00 0.00 0.00 0.00 -0.02 0.00 0.00 31.44 31.42 3din n GLU 99 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 3din n GLY 100 N 0.00 -0.97 0.09 0.62 0.00 -1.26 -4.33 105.19 99.35 3din n GLY 100 Ca 0.00 0.00 0.09 0.00 0.00 0.00 0.00 46.02 46.11 3din n GLY 100 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 3din n LYS 101 N 0.00 -0.01 0.00 1.61 4.76 -1.26 0.86 118.16 124.12 3din n LYS 101 Ca 0.00 0.36 0.00 0.00 -2.87 0.00 0.00 58.31 55.80 3din n LYS 101 Cb 0.00 -0.66 0.00 0.00 -1.84 0.00 0.00 35.03 32.53 3din n LYS 101 CO 0.00 0.00 0.00 0.25 -1.37 0.00 0.00 177.40 176.28 3din n THR 102 N -3.50 0.00 0.22 -0.18 -2.24 -1.26 -2.56 114.28 104.75 3din n THR 102 Ca 0.10 1.12 -0.16 0.00 -2.27 0.00 0.00 64.05 62.85 3din n THR 102 Cb 0.36 -2.05 -0.08 0.00 -2.10 0.00 0.00 70.33 66.46 3din n THR 102 CO 0.00 0.00 0.00 0.17 -0.57 0.00 0.00 175.07 174.67 3din h LEU 103 N 0.00 -1.02 -0.09 3.22 -0.00 0.15 -3.01 115.31 114.55 3din h LEU 103 Ca 0.00 0.09 0.01 0.00 -0.00 0.00 0.00 57.88 57.98 3din h LEU 103 Cb 0.00 0.35 -0.01 0.00 -0.00 0.00 0.00 40.66 41.00 3din h LEU 103 CO 0.00 -0.51 -0.05 0.00 -0.00 0.00 0.00 178.44 177.88 3din n ALA 104 N -2.69 -0.06 -0.33 0.17 0.00 0.20 0.24 120.51 118.05 3din n ALA 104 Ca -0.10 0.07 -0.05 0.00 0.00 0.00 0.00 53.44 53.36 3din n ALA 104 Cb 0.37 0.34 -0.03 0.00 0.00 0.00 0.00 19.45 20.13 3din n ALA 104 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 3din n ALA 105 N -2.86 -0.34 -0.36 0.00 0.00 -1.06 0.14 120.51 116.02 3din n ALA 105 Ca 0.00 0.74 0.28 0.00 0.00 0.00 0.00 53.44 54.45 3din n ALA 105 Cb 0.02 -0.22 0.53 0.00 0.00 0.00 0.00 19.45 19.79 3din n ALA 105 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 3din h THR 106 N 0.00 0.26 0.02 0.00 1.03 -0.08 -1.60 112.91 112.54 3din h THR 106 Ca 0.19 -0.09 -0.00 0.00 -0.01 0.00 0.00 66.41 66.51 3din h THR 106 Cb 0.39 -0.01 -0.00 0.00 -1.07 0.00 0.00 68.15 67.47 3din h THR 106 CO -0.78 0.05 -0.02 0.24 -0.01 0.00 0.00 175.52 175.00 3din h MET 107 N 0.25 -0.04 -0.25 0.00 2.86 0.16 -1.61 114.93 116.31 3din h MET 107 Ca 0.75 0.00 -0.06 0.00 -2.06 0.00 0.00 59.70 58.33 3din h MET 107 Cb 1.93 0.01 -0.01 0.00 0.06 0.00 0.00 31.60 33.58 3din h MET 107 CO -0.52 -0.03 -0.12 -1.00 1.06 0.00 0.00 176.91 176.30 3din h PRO 108 N -0.04 0.40 -1.06 -0.22 0.13 -1.54 -1.59 132.00 128.09 3din h PRO 108 Ca -0.00 -0.11 0.29 0.00 -0.87 0.00 0.00 66.00 65.31 3din h PRO 108 Cb 0.04 -0.05 -0.06 0.00 0.13 0.00 0.00 31.00 31.06 3din h PRO 108 CO -0.00 0.53 0.73 0.82 -0.23 0.00 0.00 178.00 179.85 3din h ILE 109 N 0.38 0.49 0.48 -3.56 2.04 -1.19 -1.65 117.51 114.50 3din h ILE 109 Ca 0.07 -0.05 -0.02 0.00 1.00 0.00 0.00 64.86 65.86 3din h ILE 109 Cb 0.44 0.32 0.00 0.00 -0.74 0.00 0.00 36.82 36.85 3din h ILE 109 CO 0.03 0.03 -0.23 0.22 0.00 0.00 0.00 178.15 178.19 3din h TYR 110 N 0.16 -0.60 -0.14 1.37 3.20 -0.26 -2.52 116.97 118.17 3din h TYR 110 Ca 0.54 -0.01 0.05 0.00 3.14 0.00 0.00 58.73 62.44 3din h TYR 110 Cb 1.83 0.20 -0.06 0.00 1.54 0.00 0.00 36.73 40.24 3din h TYR 110 CO -0.00 -0.37 -0.34 -0.07 -1.64 0.00 0.00 178.16 175.73 3din h LEU 111 N -1.05 -1.07 -0.00 2.82 -0.00 -1.30 -2.75 115.31 111.97 3din h LEU 111 Ca -0.07 0.15 0.03 0.00 -0.00 0.00 0.00 57.88 57.99 3din h LEU 111 Cb 0.49 0.45 -0.03 0.00 -0.00 0.00 0.00 40.66 41.57 3din h LEU 111 CO 0.11 -0.37 -0.17 0.78 -0.00 0.00 0.00 178.44 178.79 3din h ASN 112 N -0.41 -0.48 -0.99 -0.43 2.35 -1.49 -2.61 115.58 111.50 3din h ASN 112 Ca 0.09 0.07 0.26 0.00 -0.55 0.00 0.00 56.30 56.17 3din h ASN 112 Cb 0.56 0.20 -0.13 0.00 0.05 0.00 0.00 38.32 39.01 3din h ASN 112 CO -0.37 -0.23 0.57 0.00 -1.65 0.00 0.00 177.43 175.75 3din h ALA 113 N 0.66 1.79 -1.96 -0.83 0.00 -1.25 -1.75 119.26 115.91 3din h ALA 113 Ca 0.05 0.14 0.57 0.00 0.00 0.00 0.00 54.91 55.67 3din h ALA 113 Cb 0.34 0.06 -0.08 0.00 0.00 0.00 0.00 17.79 18.11 3din h ALA 113 CO -0.16 -0.33 1.42 -0.07 0.00 0.00 0.00 179.25 180.11 3din h LEU 114 N 0.51 0.00 -1.29 0.00 3.38 -1.17 0.33 115.31 117.07 3din h LEU 114 Ca 0.65 0.00 0.18 0.00 0.09 0.00 0.00 57.88 58.81 3din h LEU 114 Cb 1.29 0.00 -0.08 0.00 0.09 0.00 0.00 40.66 41.96 3din h LEU 114 CO -0.51 0.00 0.60 0.16 0.09 0.00 0.00 178.44 178.79 3din h ILE 115 N 0.00 0.73 0.00 1.22 3.07 -1.49 -3.38 117.51 117.65 3din h ILE 115 Ca 0.93 -0.21 0.00 0.00 1.55 0.00 0.00 64.86 67.14 3din h ILE 115 Cb 3.77 0.07 0.00 0.00 -0.27 0.00 0.00 36.82 40.39 3din h ILE 115 CO -0.01 0.11 0.00 0.61 -1.05 0.00 0.00 178.15 177.81 3din n GLY 116 N -1.43 0.90 0.14 0.16 0.00 0.12 -4.47 105.19 100.60 3din n GLY 116 Ca 0.20 -0.02 -0.22 0.00 0.00 0.00 0.00 46.02 45.98 3din n GLY 116 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 3din h LYS 117 N 3.02 0.29 0.00 1.61 1.57 -1.88 -3.50 116.57 117.69 3din h LYS 117 Ca 0.00 -0.50 0.00 0.00 -1.87 0.00 0.00 60.65 58.28 3din h LYS 117 Cb 0.00 0.19 0.00 0.00 0.08 0.00 0.00 32.23 32.50 3din h LYS 117 CO 0.00 1.24 0.00 0.41 -0.57 0.00 0.00 179.45 180.53 3din n GLY 118 N 1.96 2.73 3.63 3.86 0.00 -1.26 -4.83 105.19 111.28 3din n GLY 118 Ca -0.30 -1.18 -0.31 0.00 0.00 0.00 0.00 46.02 44.23 3din n GLY 118 CO 0.00 0.00 0.00 -1.34 0.00 0.00 0.00 173.32 171.98 3din s VAL 119 N 0.00 3.75 0.22 1.61 -7.23 -1.16 -4.84 120.40 112.75 3din s VAL 119 Ca 0.00 -0.98 -0.18 0.00 -1.81 0.00 0.00 61.98 59.01 3din s VAL 119 Cb 0.00 -2.73 -0.08 0.00 0.56 0.00 0.00 36.38 34.13 3din s VAL 119 CO 0.00 0.21 0.69 -1.00 -0.31 0.00 0.00 175.10 174.69 3din s HIS 120 N -1.18 3.60 -0.34 2.82 3.76 -0.53 -0.96 115.29 122.46 3din s HIS 120 Ca 0.22 1.30 0.00 0.00 -0.15 0.00 0.00 55.06 56.43 3din s HIS 120 Cb -0.11 -2.56 0.14 0.00 1.11 0.00 0.00 32.58 31.15 3din s HIS 120 CO 0.14 0.32 0.23 -1.17 -0.85 0.00 0.00 174.74 173.41 3din s LEU 121 N -2.11 0.69 0.37 0.89 1.98 -0.96 -2.23 118.68 117.30 3din s LEU 121 Ca 0.44 -1.91 -0.28 0.00 -2.89 0.00 0.00 54.13 49.49 3din s LEU 121 Cb -0.15 -0.19 -0.10 0.00 0.66 0.00 0.00 46.19 46.41 3din s LEU 121 CO 0.20 -0.32 1.33 0.68 -1.89 0.00 0.00 176.35 176.35 3din s VAL 122 N 1.32 2.58 -0.03 1.68 -7.23 -0.79 -2.51 120.40 115.42 3din s VAL 122 Ca 0.16 0.56 -0.13 0.00 -1.81 0.00 0.00 61.98 60.76 3din s VAL 122 Cb -0.20 -3.35 0.02 0.00 0.56 0.00 0.00 36.38 33.41 3din s VAL 122 CO -0.06 0.12 0.29 0.42 -0.31 0.00 0.00 175.10 175.55 3din s THR 123 N -1.18 0.05 0.09 5.32 -4.23 -0.39 -0.72 115.64 114.58 3din s THR 123 Ca 0.52 -0.44 -0.29 0.00 -1.18 0.00 0.00 61.69 60.31 3din s THR 123 Cb -0.40 -0.57 -0.14 0.00 1.34 0.00 0.00 72.50 72.73 3din s THR 123 CO 0.53 -0.24 1.65 1.62 -0.54 0.00 0.00 174.62 177.64 3din h VAL 124 N 4.02 0.49 -3.87 2.29 3.04 -1.87 -3.26 116.25 117.10 3din h VAL 124 Ca -0.29 0.00 -0.21 0.00 -1.01 0.00 0.00 66.70 65.18 3din h VAL 124 Cb 1.18 0.49 -0.15 0.00 -2.01 0.00 0.00 31.29 30.81 3din h VAL 124 CO 0.39 0.00 -0.69 0.54 -1.01 0.00 0.00 177.57 176.80 3din s ASN 125 N -4.71 1.06 0.13 3.17 4.22 -1.26 -4.63 114.94 112.93 3din s ASN 125 Ca -0.16 -1.02 -0.26 0.00 -2.14 0.00 0.00 52.86 49.28 3din s ASN 125 Cb 0.06 0.11 -0.06 0.00 1.28 0.00 0.00 41.25 42.64 3din s ASN 125 CO 0.64 -0.49 1.35 0.47 -2.04 0.00 0.00 177.10 177.03 3din n ASP 126 N -0.04 -0.89 -0.40 3.54 10.43 -1.26 0.45 116.55 128.39 3din n ASP 126 Ca -0.12 1.55 0.32 0.00 2.57 0.00 0.00 54.79 59.12 3din n ASP 126 Cb 0.61 -0.22 0.61 0.00 1.84 0.00 0.00 41.12 43.96 3din n ASP 126 CO 0.00 0.00 0.00 0.22 -1.07 0.00 0.00 177.20 176.35 3din h TYR 127 N 0.00 0.51 0.01 1.24 3.20 -1.99 0.59 116.97 120.52 3din h TYR 127 Ca 0.13 0.02 -0.25 0.00 3.14 0.00 0.00 58.73 61.77 3din h TYR 127 Cb 0.34 -0.13 -0.04 0.00 1.54 0.00 0.00 36.73 38.44 3din h TYR 127 CO -0.92 -0.09 -1.34 1.25 -1.64 0.00 0.00 178.16 175.42 3din h LEU 128 N 0.18 0.03 -0.91 2.82 6.46 -0.42 -2.33 115.31 121.14 3din h LEU 128 Ca 0.72 -0.04 0.07 0.00 -0.12 0.00 0.00 57.88 58.51 3din h LEU 128 Cb 2.21 -0.01 -0.06 0.00 -0.73 0.00 0.00 40.66 42.07 3din h LEU 128 CO -0.33 1.03 0.58 0.00 -0.62 0.00 0.00 178.44 179.10 3din h ALA 129 N 0.96 1.27 -0.06 1.25 0.00 0.20 0.31 119.26 123.19 3din h ALA 129 Ca -0.15 -0.01 -0.14 0.00 0.00 0.00 0.00 54.91 54.61 3din h ALA 129 Cb 1.89 -0.26 -0.01 0.00 0.00 0.00 0.00 17.79 19.41 3din h ALA 129 CO 0.11 0.33 -0.59 0.00 0.00 0.00 0.00 179.25 179.10 3din h ARG 130 N 1.04 0.21 0.00 0.00 3.08 -1.24 -2.88 114.38 114.59 3din h ARG 130 Ca 0.40 -0.14 0.00 0.00 0.07 0.00 0.00 59.98 60.31 3din h ARG 130 Cb 0.19 0.02 0.00 0.00 0.08 0.00 0.00 29.97 30.26 3din h ARG 130 CO -0.18 0.74 0.00 -2.13 -1.07 0.00 0.00 179.97 177.33 3din n ARG 131 N -3.87 0.00 -0.40 0.04 0.63 0.10 -2.25 116.66 110.91 3din n ARG 131 Ca -0.02 0.01 0.33 0.00 -0.92 0.00 0.00 57.85 57.24 3din n ARG 131 Cb 0.61 -0.52 0.64 0.00 0.45 0.00 0.00 32.46 33.64 3din n ARG 131 CO 0.00 0.00 0.00 -0.44 -2.51 0.00 0.00 177.63 174.68 3din h ASP 132 N 0.00 0.24 -0.72 6.15 3.32 -1.63 0.63 116.42 124.41 3din h ASP 132 Ca 0.00 0.08 0.16 0.00 0.02 0.00 0.00 57.03 57.28 3din h ASP 132 Cb 0.00 0.05 -0.13 0.00 0.22 0.00 0.00 39.33 39.47 3din h ASP 132 CO 0.00 -0.03 -0.07 0.00 -1.72 0.00 0.00 179.24 177.42 3din h ALA 133 N 1.52 0.64 0.01 3.45 0.00 -1.39 -2.92 119.26 120.56 3din h ALA 133 Ca 0.70 0.25 -0.37 0.00 0.00 0.00 0.00 54.91 55.49 3din h ALA 133 Cb 2.23 0.46 -0.06 0.00 0.00 0.00 0.00 17.79 20.41 3din h ALA 133 CO -0.25 -0.42 -2.30 1.28 0.00 0.00 0.00 179.25 177.55 3din n LEU 134 N -5.39 1.24 0.15 0.00 4.77 0.10 -3.39 117.00 114.47 3din n LEU 134 Ca 0.11 0.03 0.19 0.00 -0.03 0.00 0.00 56.01 56.31 3din n LEU 134 Cb 0.42 -0.10 0.71 0.00 -2.33 0.00 0.00 43.42 42.11 3din n LEU 134 CO 0.04 0.65 1.16 -0.25 -1.33 0.00 0.00 177.39 177.66 3din h TRP 135 N 0.01 0.00 0.00 -1.77 2.91 -1.12 -0.24 115.95 115.73 3din h TRP 135 Ca -0.52 0.00 0.00 0.00 1.13 0.00 0.00 58.89 59.50 3din h TRP 135 Cb 2.10 0.00 0.00 0.00 -0.51 0.00 0.00 29.16 30.75 3din h TRP 135 CO 0.02 0.00 0.00 0.00 -1.03 0.00 0.00 178.44 177.43 3din n MET 136 N -3.36 0.18 -0.35 2.65 0.00 -1.12 -4.81 117.12 110.31 3din n MET 136 Ca 0.05 -0.65 0.23 0.00 0.00 0.00 0.00 57.70 57.33 3din n MET 136 Cb 0.64 -0.88 0.48 0.00 0.00 0.00 0.00 33.22 33.46 3din n MET 136 CO 0.00 0.00 0.00 0.78 0.00 0.00 0.00 175.97 176.75 3din h GLY 137 N 0.00 1.76 0.00 3.17 0.00 -1.05 -3.13 103.07 103.82 3din h GLY 137 Ca 0.00 -0.24 0.00 0.00 0.00 0.00 0.00 47.33 47.09 3din h GLY 137 CO 0.00 -0.34 0.00 -1.05 0.00 0.00 0.00 176.54 175.15 3din n PRO 138 N -4.87 0.00 -0.25 4.80 -0.02 -1.26 -1.71 135.00 131.69 3din n PRO 138 Ca 0.30 0.86 0.32 0.00 -2.02 0.00 0.00 63.50 62.96 3din n PRO 138 Cb 0.95 -1.44 0.65 0.00 -0.02 0.00 0.00 33.50 33.63 3din n PRO 138 CO 0.00 0.00 0.00 -0.39 1.98 0.00 0.00 175.50 177.09 3din h VAL 139 N 0.00 0.17 0.00 -1.45 -1.51 -1.83 -0.77 116.25 110.87 3din h VAL 139 Ca 0.00 0.00 -0.00 0.00 -1.23 0.00 0.00 66.70 65.47 3din h VAL 139 Cb 0.00 0.24 0.00 0.00 -2.13 0.00 0.00 31.29 29.40 3din h VAL 139 CO 0.00 0.00 -0.00 1.88 -1.23 0.00 0.00 177.57 178.22 3din h TYR 140 N 0.00 -0.00 0.00 5.19 0.99 -1.45 0.58 116.97 122.28 3din h TYR 140 Ca 0.52 -0.00 -0.03 0.00 2.00 0.00 0.00 58.73 61.22 3din h TYR 140 Cb 2.50 0.00 -0.00 0.00 1.00 0.00 0.00 36.73 40.23 3din h TYR 140 CO 0.00 0.42 -0.13 1.25 -0.00 0.00 0.00 178.16 179.70 3din h LEU 141 N -0.43 0.00 -0.17 3.88 5.85 -1.13 0.35 115.31 123.66 3din h LEU 141 Ca -0.00 0.00 -0.07 0.00 0.84 0.00 0.00 57.88 58.65 3din h LEU 141 Cb 0.43 0.00 -0.00 0.00 0.37 0.00 0.00 40.66 41.46 3din h LEU 141 CO 0.00 0.13 -0.16 0.15 -0.34 0.00 0.00 178.44 178.23 3din h PHE 142 N 0.00 0.48 -0.62 1.25 -0.00 -0.98 -2.68 116.94 114.39 3din h PHE 142 Ca -0.00 -0.14 -0.24 0.00 -0.00 0.00 0.00 57.97 57.58 3din h PHE 142 Cb 0.45 -0.10 -0.15 0.00 -0.00 0.00 0.00 35.95 36.15 3din h PHE 142 CO 0.00 0.77 0.31 1.28 -0.00 0.00 0.00 178.31 180.67 3din n LEU 143 N -4.52 5.28 -3.10 0.59 4.32 0.20 -4.87 117.00 114.90 3din n LEU 143 Ca -0.06 -2.76 -0.27 0.00 -0.02 0.00 0.00 56.01 52.90 3din n LEU 143 Cb 0.37 -0.71 0.02 0.00 -1.62 0.00 0.00 43.42 41.48 3din n LEU 143 CO 0.40 0.77 -0.21 0.61 -1.22 0.00 0.00 177.39 177.74 3din n GLY 144 N -0.29 -0.22 3.31 -0.72 0.00 0.11 -4.97 105.19 102.42 3din n GLY 144 Ca 0.35 0.75 -0.20 0.00 0.00 0.00 0.00 46.02 46.93 3din n GLY 144 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 3din s LEU 145 N -2.63 1.73 -0.20 0.99 1.43 -0.35 -4.99 118.68 114.65 3din s LEU 145 Ca 0.20 -1.71 0.01 0.00 -1.03 0.00 0.00 54.13 51.61 3din s LEU 145 Cb -0.02 0.42 0.04 0.00 0.03 0.00 0.00 46.19 46.67 3din s LEU 145 CO 0.67 -1.02 -0.11 -0.60 0.23 0.00 0.00 176.35 175.53 3din s ARG 146 N -3.57 2.12 1.10 1.70 6.06 -1.26 -4.60 118.95 120.50 3din s ARG 146 Ca 0.38 -0.89 -0.13 0.00 -2.50 0.00 0.00 55.73 52.59 3din s ARG 146 Cb 0.03 -2.47 0.25 0.00 0.06 0.00 0.00 34.95 32.81 3din s ARG 146 CO 0.24 -0.43 1.06 0.54 -2.50 0.00 0.00 175.30 174.21 3din s VAL 147 N 1.36 2.00 -0.35 7.11 0.11 -1.26 -1.11 120.40 128.26 3din s VAL 147 Ca -0.02 0.00 0.01 0.00 -2.93 0.00 0.00 61.98 59.05 3din s VAL 147 Cb -0.16 -2.27 0.19 0.00 -1.53 0.00 0.00 36.38 32.60 3din s VAL 147 CO -0.08 -0.00 0.76 -0.83 -3.33 0.00 0.00 175.10 171.62 3din s GLY 148 N -2.98 -1.29 -0.03 6.54 0.00 0.54 -4.61 107.32 105.49 3din s GLY 148 Ca 0.67 0.86 0.03 0.00 0.00 0.00 0.00 44.72 46.29 3din s GLY 148 CO 0.61 3.87 -0.12 0.54 0.00 0.00 0.00 173.10 178.00 3din s VAL 149 N 2.22 3.25 0.07 1.40 0.11 -1.05 0.14 120.40 126.54 3din s VAL 149 Ca 0.16 -0.75 0.07 0.00 -2.93 0.00 0.00 61.98 58.53 3din s VAL 149 Cb -0.03 -2.32 -0.04 0.00 -1.53 0.00 0.00 36.38 32.46 3din s VAL 149 CO -0.15 0.52 -0.15 -0.51 -3.33 0.00 0.00 175.10 171.49 3din s ILE 150 N -0.82 3.04 0.10 7.04 2.07 -0.59 -2.42 121.20 129.63 3din s ILE 150 Ca 0.13 -1.24 -0.13 0.00 -1.41 0.00 0.00 60.65 57.99 3din s ILE 150 Cb -0.11 -2.35 0.02 0.00 0.13 0.00 0.00 42.46 40.15 3din s ILE 150 CO 0.03 0.23 0.32 0.20 -1.91 0.00 0.00 174.94 173.81 3din s ASN 151 N -1.81 -0.11 0.00 4.50 0.01 -0.88 -4.49 114.94 112.17 3din s ASN 151 Ca 0.17 -0.40 0.00 0.00 -0.71 0.00 0.00 52.86 51.92 3din s ASN 151 Cb -0.11 0.42 0.00 0.00 0.41 0.00 0.00 41.25 41.97 3din s ASN 151 CO 0.09 -0.78 0.00 -1.20 -1.51 0.00 0.00 177.10 173.69 3din n SER 152 N -0.07 0.00 0.00 -1.22 7.64 -1.26 -1.91 113.62 116.80 3din n SER 152 Ca -0.16 0.00 0.00 0.00 1.01 0.00 0.00 58.87 59.72 3din n SER 152 Cb 0.63 0.00 0.00 0.00 -1.01 0.00 0.00 64.21 63.83 3din n SER 152 CO 0.00 0.00 0.00 0.18 -3.01 0.00 0.00 175.04 172.21 3din n LEU 153 N 0.00 0.00 -4.47 -3.43 4.32 -1.26 -5.09 117.00 107.06 3din n LEU 153 Ca 0.00 0.00 -0.23 0.00 -0.02 0.00 0.00 56.01 55.76 3din n LEU 153 Cb 0.00 0.00 -0.10 0.00 -1.62 0.00 0.00 43.42 41.70 3din n LEU 153 CO 0.00 0.00 -0.37 -0.83 -1.22 0.00 0.00 177.39 174.97 3din s GLY 154 N -1.23 1.98 -0.01 -0.72 0.00 -0.80 -5.11 107.32 101.42 3din s GLY 154 Ca 0.00 -1.98 -0.07 0.00 0.00 0.00 0.00 44.72 42.67 3din s GLY 154 CO 0.00 -1.92 0.14 -1.59 0.00 0.00 0.00 173.10 169.73 3din s LYS 155 N -3.68 0.43 0.22 2.90 -2.85 -1.26 -2.07 119.74 113.43 3din s LYS 155 Ca 0.31 -0.31 -0.10 0.00 -1.00 0.00 0.00 55.97 54.87 3din s LYS 155 Cb 0.03 0.18 -0.01 0.00 -2.06 0.00 0.00 37.83 35.97 3din s LYS 155 CO 0.14 -0.10 0.37 -1.54 0.10 0.00 0.00 175.35 174.32 3din s SER 156 N -1.15 -0.02 0.00 0.03 1.04 -1.01 -2.48 113.70 110.10 3din s SER 156 Ca -0.12 -1.00 0.00 0.00 0.48 0.00 0.00 55.95 55.31 3din s SER 156 Cb -0.07 0.51 0.00 0.00 0.10 0.00 0.00 66.02 66.57 3din s SER 156 CO 0.01 -1.03 0.00 0.00 0.98 0.00 0.00 173.24 173.21 3din n TYR 157 N -0.32 0.00 -3.42 5.02 0.18 -1.22 -2.52 117.16 114.87 3din n TYR 157 Ca -0.02 0.00 0.00 0.00 1.88 0.00 0.00 57.90 59.76 3din n TYR 157 Cb 0.63 0.00 0.00 0.00 -0.38 0.00 0.00 39.34 39.59 3din n TYR 157 CO 0.00 0.00 0.00 -1.91 -2.08 0.00 0.00 176.86 172.87 3din n GLU 158 N 0.00 0.00 -0.95 -3.48 2.13 -1.26 -4.56 120.64 112.52 3din n GLU 158 Ca 0.00 0.00 0.00 0.00 0.66 0.00 0.00 57.16 57.82 3din n GLU 158 Cb 0.00 0.00 0.00 0.00 0.27 0.00 0.00 31.44 31.71 3din n GLU 158 CO 0.00 0.00 0.00 0.28 -0.41 0.00 0.00 177.13 177.00 3din n VAL 159 N 0.00 0.00 -1.09 6.31 0.31 -1.26 -4.69 118.33 117.92 3din n VAL 159 Ca 0.00 0.00 -0.37 0.00 -0.01 0.00 0.00 64.34 63.96 3din n VAL 159 Cb 0.00 0.00 0.03 0.00 -0.91 0.00 0.00 33.84 32.96 3din n VAL 159 CO 0.00 0.00 0.00 1.33 -1.32 0.00 0.00 176.83 176.84 3din n VAL 160 N 0.00 0.00 -2.30 2.52 0.24 -1.13 -4.45 118.33 113.21 3din n VAL 160 Ca 0.00 -0.49 -0.35 0.00 -2.04 0.00 0.00 64.34 61.46 3din n VAL 160 Cb 0.00 0.00 -0.00 0.00 -1.47 0.00 0.00 33.84 32.37 3din n VAL 160 CO 0.00 0.00 0.00 0.86 -2.14 0.00 0.00 176.83 175.55 3din s TRP 161 N -1.96 2.72 0.00 6.34 -0.00 -1.26 -4.88 118.94 119.89 3din s TRP 161 Ca 0.47 1.55 0.00 0.00 -0.00 0.00 0.00 56.10 58.12 3din s TRP 161 Cb -0.32 -3.27 0.00 0.00 -0.00 0.00 0.00 33.47 29.88 3din s TRP 161 CO 0.74 -1.48 0.00 1.17 -0.00 0.00 0.00 176.95 177.37 3din n LYS 162 N -1.22 0.00 -0.09 5.86 4.81 -1.26 -3.69 118.16 122.57 3din n LYS 162 Ca 0.11 0.00 -0.13 0.00 -0.87 0.00 0.00 58.31 57.42 3din n LYS 162 Cb 0.51 0.00 -0.08 0.00 0.02 0.00 0.00 35.03 35.48 3din n LYS 162 CO 0.00 0.00 0.00 -1.71 1.17 0.00 0.00 177.40 176.86 3din n ASN 163 N 0.61 2.55 0.14 3.14 4.05 -1.26 -4.48 115.26 120.01 3din n ASN 163 Ca 0.00 -0.08 -0.13 0.00 0.45 0.00 0.00 54.58 54.82 3din n ASN 163 Cb 0.00 -0.29 -0.06 0.00 1.23 0.00 0.00 39.78 40.65 3din n ASN 163 CO 0.00 0.00 0.00 1.55 -3.05 0.00 0.00 177.26 175.76 3din h PRO 164 N -0.04 -0.39 -0.79 1.20 0.13 -1.96 -0.30 132.00 129.85 3din h PRO 164 Ca -0.40 0.03 0.19 0.00 -0.87 0.00 0.00 66.00 64.94 3din h PRO 164 Cb 1.60 0.09 -0.13 0.00 0.13 0.00 0.00 31.00 32.69 3din h PRO 164 CO -0.07 -0.26 0.11 -0.44 -0.23 0.00 0.00 178.00 177.10 3din h ASP 165 N -0.41 -0.18 -0.57 1.44 5.19 -1.84 0.71 116.42 120.76 3din h ASP 165 Ca 0.00 0.19 -0.05 0.00 -0.62 0.00 0.00 57.03 56.55 3din h ASP 165 Cb 0.39 0.29 -0.02 0.00 0.18 0.00 0.00 39.33 40.16 3din h ASP 165 CO -0.05 -0.14 0.17 -0.07 -3.12 0.00 0.00 179.24 176.03 3din h LEU 166 N 0.17 0.84 0.00 1.55 3.38 -1.66 0.15 115.31 119.74 3din h LEU 166 Ca 0.45 -0.21 0.00 0.00 0.09 0.00 0.00 57.88 58.21 3din h LEU 166 Cb 0.83 -0.22 0.00 0.00 0.09 0.00 0.00 40.66 41.36 3din h LEU 166 CO -0.63 0.83 0.00 0.00 0.09 0.00 0.00 178.44 178.73 3din n ALA 167 N -2.39 2.39 -0.09 1.53 0.00 0.15 -0.98 120.51 121.12 3din n ALA 167 Ca 0.03 -0.10 -0.20 0.00 0.00 0.00 0.00 53.44 53.17 3din n ALA 167 Cb 0.21 -1.26 -0.12 0.00 0.00 0.00 0.00 19.45 18.28 3din n ALA 167 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 177.50 178.04 3din n ARG 168 N -0.81 0.67 0.03 0.00 1.74 0.20 -4.52 116.66 113.98 3din n ARG 168 Ca 0.12 0.22 0.11 0.00 -0.77 0.00 0.00 57.85 57.53 3din n ARG 168 Cb 0.05 -1.59 -0.10 0.00 -1.02 0.00 0.00 32.46 29.80 3din n ARG 168 CO 0.00 0.00 0.00 1.63 -1.52 0.00 0.00 177.63 177.74 3din n LYS 169 N -3.49 0.64 -0.06 5.56 4.01 -0.86 -3.64 118.16 120.31 3din n LYS 169 Ca -0.42 -0.07 -0.08 0.00 -0.51 0.00 0.00 58.31 57.23 3din n LYS 169 Cb 0.98 -1.64 -0.02 0.00 -0.51 0.00 0.00 35.03 33.85 3din n LYS 169 CO 0.00 0.00 0.00 0.00 -1.11 0.00 0.00 177.40 176.29 3din h ALA 170 N 1.99 -0.12 0.08 7.82 0.00 -1.29 0.55 119.26 128.29 3din h ALA 170 Ca -0.00 0.08 -0.25 0.00 0.00 0.00 0.00 54.91 54.74 3din h ALA 170 Cb 1.01 0.53 0.00 0.00 0.00 0.00 0.00 17.79 19.33 3din h ALA 170 CO 0.00 -0.67 -1.12 -0.84 0.00 0.00 0.00 179.25 176.62 3din h ILE 171 N -0.24 1.48 0.00 0.00 3.07 -1.81 -2.90 117.51 117.12 3din h ILE 171 Ca 0.15 -2.88 0.00 0.00 1.55 0.00 0.00 64.86 63.67 3din h ILE 171 Cb 0.47 2.77 0.00 0.00 -0.27 0.00 0.00 36.82 39.79 3din h ILE 171 CO -0.41 0.84 0.00 -0.62 -1.05 0.00 0.00 178.15 176.91 3din n GLU 172 N -3.59 0.26 -0.07 0.16 -0.58 -0.73 -0.13 120.64 115.97 3din n GLU 172 Ca -0.07 0.08 -0.16 0.00 -0.42 0.00 0.00 57.16 56.59 3din n GLU 172 Cb 0.95 -1.50 -0.13 0.00 -0.57 0.00 0.00 31.44 30.19 3din n GLU 172 CO 0.00 0.00 0.00 1.49 -0.48 0.00 0.00 177.13 178.14 3din h GLU 173 N 0.00 0.02 -0.51 3.49 4.22 0.30 1.41 114.58 123.51 3din h GLU 173 Ca 0.00 -0.03 -0.05 0.00 0.08 0.00 0.00 59.36 59.36 3din h GLU 173 Cb 0.05 0.01 -0.02 0.00 0.50 0.00 0.00 28.75 29.28 3din h GLU 173 CO 0.00 1.01 0.12 -0.91 -2.18 0.00 0.00 179.01 177.06 3din h ASN 174 N -0.96 0.71 0.00 1.04 4.21 -0.99 -3.33 115.58 116.27 3din h ASN 174 Ca -0.07 -0.12 0.00 0.00 1.21 0.00 0.00 56.30 57.32 3din h ASN 174 Cb 1.09 -0.19 0.00 0.00 -1.12 0.00 0.00 38.32 38.11 3din h ASN 174 CO -0.03 0.71 0.00 1.87 -1.29 0.00 0.00 177.43 178.69 3din n TRP 175 N -4.29 0.00 -3.37 1.19 -0.00 0.82 -4.85 117.44 106.95 3din n TRP 175 Ca 0.04 0.00 -0.19 0.00 -0.00 0.00 0.00 57.50 57.35 3din n TRP 175 Cb 0.22 -0.13 0.01 0.00 -0.00 0.00 0.00 31.31 31.41 3din n TRP 175 CO 0.00 0.00 0.00 0.45 -0.00 0.00 0.00 177.69 178.14 3din n SER 176 N -0.89 -6.34 -4.57 5.87 2.88 0.48 -4.83 113.62 106.23 3din n SER 176 Ca 0.00 -0.27 -0.41 0.00 -1.33 0.00 0.00 58.87 56.86 3din n SER 176 Cb 0.00 -3.30 -0.03 0.00 -0.75 0.00 0.00 64.21 60.13 3din n SER 176 CO 0.00 0.00 0.00 0.54 -1.23 0.00 0.00 175.04 174.35 3din s VAL 177 N -2.57 3.65 0.23 2.46 0.11 -1.26 -4.47 120.40 118.54 3din s VAL 177 Ca 0.13 0.52 0.00 0.00 -2.93 0.00 0.00 61.98 59.71 3din s VAL 177 Cb -0.02 -4.27 0.00 0.00 -1.53 0.00 0.00 36.38 30.56 3din s VAL 177 CO 0.83 -1.08 0.00 1.87 -3.33 0.00 0.00 175.10 173.39 3din n TRP 178 N 10.38 -3.44 -1.25 1.54 -0.00 -1.26 -4.72 117.44 118.69 3din n TRP 178 Ca 0.15 0.80 -0.07 0.00 -0.00 0.00 0.00 57.50 58.38 3din n TRP 178 Cb 0.50 2.21 -0.07 0.00 -0.00 0.00 0.00 31.31 33.95 3din n TRP 178 CO 0.00 0.00 0.00 -0.35 -0.00 0.00 0.00 177.69 177.34 3din n PRO 179 N -3.12 0.06 0.00 5.87 -0.04 -1.26 -4.71 135.00 131.79 3din n PRO 179 Ca 0.00 -0.51 0.00 0.00 -0.04 0.00 0.00 63.50 62.95 3din n PRO 179 Cb 0.00 -1.95 0.00 0.00 -0.04 0.00 0.00 33.50 31.51 3din n PRO 179 CO 0.00 0.00 0.00 -0.25 -0.04 0.00 0.00 175.50 175.21 3din n ASP 180 N 9.67 0.00 0.00 3.54 10.43 -1.26 -4.97 116.55 133.96 3din n ASP 180 Ca 0.23 0.00 0.00 0.00 2.57 0.00 0.00 54.79 57.59 3din n ASP 180 Cb 0.44 0.00 0.00 0.00 1.84 0.00 0.00 41.12 43.40 3din n ASP 180 CO 0.00 0.00 0.00 0.61 -1.07 0.00 0.00 177.20 176.74 3din n GLY 181 N -0.07 0.58 0.00 0.44 0.00 -1.26 -5.04 105.19 99.83 3din n GLY 181 Ca 0.00 -0.26 0.00 0.00 0.00 0.00 0.00 46.02 45.76 3din n GLY 181 CO 0.00 0.00 0.00 1.97 0.00 0.00 0.00 173.32 175.29 3din n PHE 182 N -2.78 0.00 -2.76 1.61 1.16 -1.26 -4.88 117.46 108.55 3din n PHE 182 Ca 0.00 0.00 -0.08 0.00 -1.87 0.00 0.00 57.45 55.50 3din n PHE 182 Cb 0.00 0.00 0.04 0.00 -1.61 0.00 0.00 39.48 37.91 3din n PHE 182 CO 0.00 0.00 0.00 0.09 -1.87 0.00 0.00 176.76 174.98 3din n ASN 183 N 0.00 -5.72 0.00 5.98 5.03 -1.26 -5.03 115.26 114.26 3din n ASN 183 Ca 0.00 -0.38 0.00 0.00 0.87 0.00 0.00 54.58 55.07 3din n ASN 183 Cb 0.00 -4.06 0.00 0.00 -1.02 0.00 0.00 39.78 34.70 3din n ASN 183 CO 0.00 0.00 0.00 0.61 -1.83 0.00 0.00 177.26 176.04 3din n GLY 184 N -1.38 3.23 0.34 7.41 0.00 -1.26 -4.96 105.19 108.56 3din n GLY 184 Ca -0.04 0.01 0.00 0.00 0.00 0.00 0.00 46.02 45.99 3din n GLY 184 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 3din n GLU 185 N -0.13 0.80 -1.57 1.61 4.71 -1.26 -4.31 120.64 120.50 3din n GLU 185 Ca 0.00 0.00 -0.34 0.00 -0.01 0.00 0.00 57.16 56.81 3din n GLU 185 Cb 0.00 -1.27 -0.04 0.00 -1.01 0.00 0.00 31.44 29.12 3din n GLU 185 CO 0.00 0.00 0.00 1.33 0.09 0.00 0.00 177.13 178.55 3din n VAL 186 N -0.10 4.35 -1.72 2.62 0.24 -1.26 -4.92 118.33 117.55 3din n VAL 186 Ca 0.00 -3.19 -0.29 0.00 -2.04 0.00 0.00 64.34 58.83 3din n VAL 186 Cb 0.13 -2.15 -0.04 0.00 -1.47 0.00 0.00 33.84 30.31 3din n VAL 186 CO 0.00 0.00 0.00 -1.48 -2.14 0.00 0.00 176.83 173.21 3din s LEU 187 N -1.14 3.20 0.00 1.34 2.34 -1.26 -4.92 118.68 118.24 3din s LEU 187 Ca 0.62 0.42 0.00 0.00 0.06 0.00 0.00 54.13 55.22 3din s LEU 187 Cb 0.23 -2.53 0.00 0.00 -0.56 0.00 0.00 46.19 43.34 3din s LEU 187 CO -0.09 -3.06 0.00 1.17 -1.06 0.00 0.00 176.35 173.30 3din n LYS 188 N 8.97 0.40 -3.62 1.48 0.00 -1.26 -5.01 118.16 119.11 3din n LYS 188 Ca 0.37 0.00 -0.40 0.00 0.00 0.00 0.00 58.31 58.28 3din n LYS 188 Cb 0.50 0.00 -0.11 0.00 0.00 0.00 0.00 35.03 35.42 3din n LYS 188 CO 0.00 0.00 0.00 -2.00 0.00 0.00 0.00 177.40 175.40 3din s GLU 189 N -2.14 2.71 0.00 1.64 2.56 -1.26 -5.03 118.70 117.19 3din s GLU 189 Ca 0.00 -1.22 0.00 0.00 0.00 0.00 0.00 54.97 53.75 3din s GLU 189 Cb 0.00 -3.70 0.00 0.00 2.00 0.00 0.00 34.13 32.43 3din s GLU 189 CO 0.00 -0.78 0.00 -0.85 -0.56 0.00 0.00 175.26 173.07 3din n GLU 190 N 4.94 0.00 -3.35 4.30 0.00 -1.26 -5.01 120.64 120.26 3din n GLU 190 Ca -0.11 0.00 -0.19 0.00 0.00 0.00 0.00 57.16 56.86 3din n GLU 190 Cb 0.45 0.00 0.06 0.00 0.00 0.00 0.00 31.44 31.95 3din n GLU 190 CO 0.00 0.00 0.00 0.45 0.00 0.00 0.00 177.13 177.58 3din n SER 191 N -0.25 -5.32 0.15 -1.84 2.88 -1.26 -4.84 113.62 103.14 3din n SER 191 Ca 0.00 -0.43 0.18 0.00 -1.33 0.00 0.00 58.87 57.30 3din n SER 191 Cb 0.00 -4.06 0.79 0.00 -0.75 0.00 0.00 64.21 60.18 3din n SER 191 CO 0.00 0.00 0.00 -0.03 -1.23 0.00 0.00 175.04 173.78 3din h MET 192 N -2.11 0.00 0.00 -1.46 4.05 -1.97 0.37 114.93 113.81 3din h MET 192 Ca -0.45 0.00 0.00 0.00 -0.28 0.00 0.00 59.70 58.97 3din h MET 192 Cb 1.29 0.00 0.00 0.00 -0.80 0.00 0.00 31.60 32.09 3din h MET 192 CO 0.44 0.00 0.00 -1.71 0.23 0.00 0.00 176.91 175.87 3din n ASN 193 N -3.79 0.00 -0.10 1.39 5.15 -1.26 -1.17 115.26 115.47 3din n ASN 193 Ca 0.04 0.42 -0.21 0.00 -0.60 0.00 0.00 54.58 54.24 3din n ASN 193 Cb 0.46 -0.45 -0.07 0.00 -0.53 0.00 0.00 39.78 39.18 3din n ASN 193 CO 0.00 0.00 0.00 1.17 1.40 0.00 0.00 177.26 179.83 3din n LYS 194 N -1.45 0.45 0.36 1.20 4.81 0.13 -4.49 118.16 119.16 3din n LYS 194 Ca 0.03 0.19 -0.17 0.00 -0.87 0.00 0.00 58.31 57.50 3din n LYS 194 Cb 0.11 -1.25 -0.08 0.00 0.02 0.00 0.00 35.03 33.82 3din n LYS 194 CO 0.00 0.00 0.00 0.93 1.17 0.00 0.00 177.40 179.50 3din h GLU 195 N -0.77 -0.98 0.00 1.64 4.39 -1.33 0.48 114.58 118.01 3din h GLU 195 Ca -0.48 0.07 0.00 0.00 0.34 0.00 0.00 59.36 59.29 3din h GLU 195 Cb 1.39 0.22 0.00 0.00 -0.10 0.00 0.00 28.75 30.26 3din h GLU 195 CO -0.29 -0.65 0.47 0.00 -1.16 0.00 0.00 179.01 177.38 3din n ALA 196 N -2.65 0.37 -0.06 3.43 0.00 -0.32 0.77 120.51 122.05 3din n ALA 196 Ca -0.12 0.07 -0.13 0.00 0.00 0.00 0.00 53.44 53.25 3din n ALA 196 Cb 0.43 -0.46 -0.05 0.00 0.00 0.00 0.00 19.45 19.37 3din n ALA 196 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 177.50 177.78 3din n VAL 197 N -1.88 0.71 -0.08 0.00 0.31 -0.89 -4.70 118.33 111.80 3din n VAL 197 Ca -0.00 -0.19 -0.21 0.00 -0.01 0.00 0.00 64.34 63.93 3din n VAL 197 Cb 0.48 -1.60 -0.12 0.00 -0.91 0.00 0.00 33.84 31.69 3din n VAL 197 CO 0.00 0.00 0.00 -0.08 -1.32 0.00 0.00 176.83 175.43 3din h GLU 198 N -0.42 0.05 0.00 5.55 4.81 0.85 -3.36 114.58 122.07 3din h GLU 198 Ca -0.32 -0.09 0.00 0.00 -0.13 0.00 0.00 59.36 58.81 3din h GLU 198 Cb 1.30 0.03 0.00 0.00 0.63 0.00 0.00 28.75 30.72 3din h GLU 198 CO -0.18 1.04 0.48 0.00 -0.73 0.00 0.00 179.01 179.62 3din h ALA 199 N -0.33 1.45 -0.05 2.92 0.00 0.26 1.19 119.26 124.70 3din h ALA 199 Ca -0.31 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.60 3din h ALA 199 Cb 1.39 0.00 0.00 0.00 0.00 0.00 0.00 17.79 19.18 3din h ALA 199 CO -0.13 -0.45 0.00 1.19 0.00 0.00 0.00 179.25 179.87 3din n PHE 200 N -2.56 0.06 0.30 0.00 3.01 -1.22 -3.79 117.46 113.25 3din n PHE 200 Ca -0.01 -0.03 0.17 0.00 1.01 0.00 0.00 57.45 58.59 3din n PHE 200 Cb 0.51 0.00 0.92 0.00 -0.01 0.00 0.00 39.48 40.90 3din n PHE 200 CO 0.00 0.00 0.00 0.37 1.01 0.00 0.00 176.76 178.14 3din h GLN 201 N 0.28 0.00 -5.92 -1.08 5.75 0.12 -3.41 115.11 110.85 3din h GLN 201 Ca 0.00 0.00 -0.47 0.00 -0.15 0.00 0.00 58.65 58.03 3din h GLN 201 Cb 0.06 0.00 -0.03 0.00 1.07 0.00 0.00 27.48 28.58 3din h GLN 201 CO 0.00 0.04 1.29 0.08 -2.65 0.00 0.00 178.83 177.60 3din s VAL 202 N -4.23 3.34 0.10 2.39 1.01 -1.25 -2.84 120.40 118.92 3din s VAL 202 Ca -0.04 0.12 -0.14 0.00 0.00 0.00 0.00 61.98 61.93 3din s VAL 202 Cb 0.13 -3.89 0.02 0.00 0.00 0.00 0.00 36.38 32.65 3din s VAL 202 CO 0.52 -0.86 0.33 -1.61 0.00 0.00 0.00 175.10 173.48 3din s GLU 203 N 7.13 0.97 -0.12 2.72 2.02 -1.26 -4.98 118.70 125.17 3din s GLU 203 Ca 0.69 -0.75 -0.08 0.00 0.02 0.00 0.00 54.97 54.85 3din s GLU 203 Cb -0.12 0.42 0.04 0.00 0.10 0.00 0.00 34.13 34.56 3din s GLU 203 CO 0.18 -0.35 0.30 -0.51 0.02 0.00 0.00 175.26 174.90 3din s LEU 204 N -2.72 0.58 0.26 1.80 1.02 -1.26 -3.99 118.68 114.36 3din s LEU 204 Ca 0.02 0.62 0.11 0.00 0.02 0.00 0.00 54.13 54.90 3din s LEU 204 Cb 0.02 0.97 -0.05 0.00 0.02 0.00 0.00 46.19 47.16 3din s LEU 204 CO -0.11 -0.14 -0.13 -0.75 0.02 0.00 0.00 176.35 175.25 3din s LYS 205 N 0.70 1.90 0.09 1.70 2.20 -1.26 -4.94 119.74 120.13 3din s LYS 205 Ca -0.04 -1.59 -0.30 0.00 -0.36 0.00 0.00 55.97 53.67 3din s LYS 205 Cb -0.06 -1.94 -0.05 0.00 -1.51 0.00 0.00 37.83 34.27 3din s LYS 205 CO -0.05 0.36 1.01 -1.21 -0.36 0.00 0.00 175.35 175.10 3din s GLU 206 N -3.45 4.62 0.00 4.03 2.02 -1.26 -3.39 118.70 121.27 3din s GLU 206 Ca 0.29 1.52 0.00 0.00 0.02 0.00 0.00 54.97 56.80 3din s GLU 206 Cb -0.06 -3.38 0.00 0.00 0.10 0.00 0.00 34.13 30.79 3din s GLU 206 CO 0.16 0.07 0.00 -0.89 0.02 0.00 0.00 175.26 174.62 3din n ILE 207 N 3.14 0.00 -4.29 -1.63 -0.00 -1.03 -5.03 119.36 110.52 3din n ILE 207 Ca 0.04 0.00 -0.16 0.00 -0.00 0.00 0.00 62.75 62.63 3din n ILE 207 Cb 0.49 0.00 -0.10 0.00 -0.00 0.00 0.00 39.64 40.03 3din n ILE 207 CO 0.00 0.00 0.00 0.42 -0.00 0.00 0.00 176.55 176.97 3din s THR 208 N -1.28 0.31 0.27 1.39 -4.23 -1.26 -4.49 115.64 106.36 3din s THR 208 Ca 0.00 -2.00 -0.09 0.00 -1.18 0.00 0.00 61.69 58.42 3din s THR 208 Cb 0.00 -2.55 0.44 0.00 1.34 0.00 0.00 72.50 71.73 3din s THR 208 CO 0.00 0.00 1.56 0.03 -0.54 0.00 0.00 174.62 175.67 3din h ARG 209 N 2.37 -0.00 0.00 3.99 2.47 -1.96 -2.37 114.38 118.88 3din h ARG 209 Ca -0.35 0.00 0.00 0.00 -1.26 0.00 0.00 59.98 58.37 3din h ARG 209 Cb 1.25 0.00 0.00 0.00 -1.65 0.00 0.00 29.97 29.57 3din h ARG 209 CO 0.55 -0.00 0.00 0.36 0.56 0.00 0.00 179.97 181.44 3din n LYS 210 N -5.61 0.00 -0.29 0.04 2.85 -1.26 -2.37 118.16 111.52 3din n LYS 210 Ca 0.15 0.15 0.30 0.00 -1.05 0.00 0.00 58.31 57.86 3din n LYS 210 Cb 0.49 -0.93 0.67 0.00 -0.65 0.00 0.00 35.03 34.61 3din n LYS 210 CO 0.00 0.00 0.00 1.49 -0.05 0.00 0.00 177.40 178.84 3din h GLU 211 N 0.00 0.12 0.00 -1.58 4.81 -1.91 -2.30 114.58 113.71 3din h GLU 211 Ca 0.00 -0.01 0.00 0.00 -0.13 0.00 0.00 59.36 59.22 3din h GLU 211 Cb 0.00 -0.03 0.00 0.00 0.63 0.00 0.00 28.75 29.35 3din h GLU 211 CO 0.00 0.08 0.00 0.00 -0.73 0.00 0.00 179.01 178.36 3din n ALA 212 N -2.67 -0.23 0.22 2.92 0.00 -0.89 -1.42 120.51 118.44 3din n ALA 212 Ca 0.24 0.00 -0.17 0.00 0.00 0.00 0.00 53.44 53.51 3din n ALA 212 Cb 1.08 0.19 -0.10 0.00 0.00 0.00 0.00 19.45 20.62 3din n ALA 212 CO 0.00 0.00 0.00 1.88 0.00 0.00 0.00 177.50 179.38 3din h TYR 213 N 0.00 -1.43 0.00 0.00 -1.99 -1.04 -1.95 116.97 110.56 3din h TYR 213 Ca 0.00 0.02 0.00 0.00 2.00 0.00 0.00 58.73 60.75 3din h TYR 213 Cb 0.00 0.58 0.00 0.00 2.00 0.00 0.00 36.73 39.31 3din h TYR 213 CO -0.20 -0.63 0.08 1.28 -0.00 0.00 0.00 178.16 178.68 3din n LEU 214 N -5.43 0.00 0.00 3.88 4.32 -1.02 -4.49 117.00 114.26 3din n LEU 214 Ca -0.10 0.34 0.00 0.00 -0.02 0.00 0.00 56.01 56.23 3din n LEU 214 Cb 0.43 -0.34 0.00 0.00 -1.62 0.00 0.00 43.42 41.89 3din n LEU 214 CO 0.21 -0.34 0.00 0.00 -1.22 0.00 0.00 177.39 176.04 3din n ASP 216 N 0.00 0.00 -4.76 0.00 9.92 -0.27 -4.46 116.55 116.98 3din n ASP 216 Ca 0.00 0.00 -0.40 0.00 -0.53 0.00 0.00 54.79 53.86 3din n ASP 216 Cb 0.00 0.00 -0.03 0.00 -0.64 0.00 0.00 41.12 40.45 3din n ASP 216 CO 0.00 0.00 0.00 -0.69 0.13 0.00 0.00 177.20 176.64 3din s VAL 217 N 0.50 3.21 -0.40 2.53 1.01 -1.13 -2.98 120.40 123.15 3din s VAL 217 Ca 0.00 1.22 -0.02 0.00 0.00 0.00 0.00 61.98 63.18 3din s VAL 217 Cb 0.00 -3.77 0.11 0.00 0.00 0.00 0.00 36.38 32.71 3din s VAL 217 CO 0.00 0.29 0.19 0.42 0.00 0.00 0.00 175.10 176.00 3din s THR 218 N -1.13 3.16 -0.30 3.92 -4.23 -0.13 -0.34 115.64 116.60 3din s THR 218 Ca 0.46 -2.11 -0.23 0.00 -1.18 0.00 0.00 61.69 58.63 3din s THR 218 Cb -0.35 -3.18 -0.00 0.00 1.34 0.00 0.00 72.50 70.31 3din s THR 218 CO 0.45 -0.68 0.77 -0.31 -0.54 0.00 0.00 174.62 174.31 3din s TYR 219 N 1.10 3.22 0.28 3.99 4.12 0.38 -2.27 117.35 128.17 3din s TYR 219 Ca 0.09 0.83 -0.20 0.00 0.02 0.00 0.00 57.07 57.81 3din s TYR 219 Cb -0.22 -3.16 0.05 0.00 -1.52 0.00 0.00 41.96 37.11 3din s TYR 219 CO -0.05 -0.52 0.84 0.20 0.02 0.00 0.00 175.55 176.04 3din s GLY 220 N 1.58 0.07 -0.13 0.71 0.00 -1.05 -1.54 107.32 106.96 3din s GLY 220 Ca 0.32 -0.38 -0.07 0.00 0.00 0.00 0.00 44.72 44.59 3din s GLY 220 CO 0.12 0.27 0.12 -0.51 0.00 0.00 0.00 173.10 173.10 3din s THR 221 N -2.96 5.36 0.25 0.90 -4.23 -1.26 -1.26 115.64 112.44 3din s THR 221 Ca 0.15 0.16 -0.05 0.00 -1.18 0.00 0.00 61.69 60.76 3din s THR 221 Cb -0.04 -3.35 0.27 0.00 1.34 0.00 0.00 72.50 70.72 3din s THR 221 CO 0.07 0.59 1.65 -0.55 -0.54 0.00 0.00 174.62 175.84 3din h ASN 222 N 5.30 -0.18 -0.55 3.99 -1.07 -1.82 0.29 115.58 121.55 3din h ASN 222 Ca -0.52 0.18 0.08 0.00 0.07 0.00 0.00 56.30 56.11 3din h ASN 222 Cb 1.21 0.28 -0.10 0.00 -2.07 0.00 0.00 38.32 37.64 3din h ASN 222 CO 0.61 -0.13 -0.43 0.78 0.07 0.00 0.00 177.43 178.32 3din h ASN 223 N 0.17 -1.49 0.59 6.14 -0.26 -1.89 0.28 115.58 119.12 3din h ASN 223 Ca 0.43 0.24 -0.03 0.00 -0.56 0.00 0.00 56.30 56.38 3din h ASN 223 Cb 0.77 0.67 0.01 0.00 -1.06 0.00 0.00 38.32 38.71 3din h ASN 223 CO -0.61 -0.34 -0.28 -0.08 -1.06 0.00 0.00 177.43 175.06 3din h GLU 224 N -0.25 -0.76 -0.98 0.81 4.57 -1.34 -2.20 114.58 114.43 3din h GLU 224 Ca 0.17 0.05 0.35 0.00 -1.18 0.00 0.00 59.36 58.75 3din h GLU 224 Cb 0.57 0.17 -0.17 0.00 -0.16 0.00 0.00 28.75 29.16 3din h GLU 224 CO -0.67 -0.51 0.39 0.74 -1.18 0.00 0.00 179.01 177.79 3din h PHE 225 N -0.89 0.60 0.54 0.92 0.05 -0.25 0.64 116.94 118.54 3din h PHE 225 Ca -0.08 0.05 -0.03 0.00 3.82 0.00 0.00 57.97 61.73 3din h PHE 225 Cb 0.60 -0.10 0.01 0.00 2.00 0.00 0.00 35.95 38.46 3din h PHE 225 CO 0.06 -0.38 -0.26 0.78 -0.18 0.00 0.00 178.31 178.33 3din h GLY 226 N 0.09 -0.75 0.71 -1.45 0.00 -0.35 -1.54 103.07 99.77 3din h GLY 226 Ca 0.74 0.28 0.14 0.00 0.00 0.00 0.00 47.33 48.49 3din h GLY 226 CO -0.76 -0.27 0.50 0.74 0.00 0.00 0.00 176.54 176.75 3din h PHE 227 N -0.86 0.54 0.39 5.60 0.05 0.71 -0.73 116.94 122.64 3din h PHE 227 Ca -0.07 0.02 -0.02 0.00 3.82 0.00 0.00 57.97 61.71 3din h PHE 227 Cb 0.61 -0.17 0.00 0.00 2.00 0.00 0.00 35.95 38.39 3din h PHE 227 CO -0.01 0.21 -0.19 -0.44 -0.18 0.00 0.00 178.31 177.70 3din h ASP 228 N 0.47 -0.45 -0.69 2.17 3.32 -0.15 0.48 116.42 121.57 3din h ASP 228 Ca 0.37 -0.08 0.13 0.00 0.02 0.00 0.00 57.03 57.47 3din h ASP 228 Cb 0.77 0.12 -0.13 0.00 0.22 0.00 0.00 39.33 40.31 3din h ASP 228 CO -0.13 -0.18 -0.25 0.22 -1.72 0.00 0.00 179.24 177.18 3din h TYR 229 N -0.71 -0.62 0.00 4.55 3.20 -0.13 0.29 116.97 123.54 3din h TYR 229 Ca -0.05 0.07 -0.11 0.00 3.14 0.00 0.00 58.73 61.78 3din h TYR 229 Cb 0.50 0.38 -0.02 0.00 1.54 0.00 0.00 36.73 39.13 3din h TYR 229 CO -0.01 -0.34 -0.51 -0.07 -1.64 0.00 0.00 178.16 175.59 3din h LEU 230 N -0.06 0.00 -1.61 2.82 4.07 -1.07 -2.51 115.31 116.95 3din h LEU 230 Ca 0.30 0.00 0.18 0.00 0.08 0.00 0.00 57.88 58.44 3din h LEU 230 Cb 0.54 0.00 -0.02 0.00 1.08 0.00 0.00 40.66 42.26 3din h LEU 230 CO -0.73 0.51 0.74 -0.09 -1.08 0.00 0.00 178.44 177.78 3din h ARG 231 N 0.00 0.00 -2.42 1.13 9.65 0.38 -2.21 114.38 120.92 3din h ARG 231 Ca -0.01 0.00 -0.20 0.00 -1.10 0.00 0.00 59.98 58.67 3din h ARG 231 Cb 0.93 0.00 -0.04 0.00 -1.39 0.00 0.00 29.97 29.47 3din h ARG 231 CO 0.07 0.00 0.39 -3.47 2.80 0.00 0.00 179.97 179.75 3din n ASP 232 N -3.48 4.39 0.00 -3.80 2.03 -0.95 -4.39 116.55 110.36 3din n ASP 232 Ca 0.13 -2.27 0.00 0.00 0.52 0.00 0.00 54.79 53.17 3din n ASP 232 Cb 0.95 -1.11 0.00 0.00 -0.72 0.00 0.00 41.12 40.25 3din n ASP 232 CO 0.00 0.00 0.00 0.59 -1.92 0.00 0.00 177.20 175.87 3din n ASN 233 N 2.84 0.00 -1.62 1.67 3.02 -0.83 -4.82 115.26 115.51 3din n ASN 233 Ca 0.37 0.00 -0.01 0.00 -0.03 0.00 0.00 54.58 54.91 3din n ASN 233 Cb 0.60 0.00 -0.01 0.00 -0.61 0.00 0.00 39.78 39.76 3din n ASN 233 CO 0.00 0.00 0.00 -0.11 -2.62 0.00 0.00 177.26 174.53 3din n LEU 234 N -1.34 4.45 -4.52 3.41 7.94 -1.26 -4.71 117.00 120.97 3din n LEU 234 Ca 0.00 -2.07 -0.43 0.00 -1.11 0.00 0.00 56.01 52.40 3din n LEU 234 Cb 0.00 -0.96 -0.00 0.00 0.53 0.00 0.00 43.42 42.99 3din n LEU 234 CO 0.00 0.88 1.68 -0.69 -1.11 0.00 0.00 177.39 178.15 3din s VAL 235 N 0.41 4.60 0.61 1.96 1.01 -1.26 -4.82 120.40 122.91 3din s VAL 235 Ca 0.04 -2.30 0.27 0.00 0.00 0.00 0.00 61.98 59.99 3din s VAL 235 Cb 0.02 -5.05 0.35 0.00 0.00 0.00 0.00 36.38 31.70 3din s VAL 235 CO 0.00 -1.82 1.73 -0.07 0.00 0.00 0.00 175.10 174.94 3din h LEU 236 N 11.08 0.00 -8.15 3.92 -0.00 -1.97 -3.34 115.31 116.86 3din h LEU 236 Ca 0.38 0.00 -0.67 0.00 -0.00 0.00 0.00 57.88 57.59 3din h LEU 236 Cb 0.87 0.00 -0.34 0.00 -0.00 0.00 0.00 40.66 41.19 3din h LEU 236 CO 1.35 0.00 -0.85 -0.62 -0.00 0.00 0.00 178.44 178.32 3din s ASP 237 N -4.60 3.24 0.24 -0.43 -1.08 -1.26 -4.98 116.67 107.80 3din s ASP 237 Ca -0.04 -0.61 0.25 0.00 -0.52 0.00 0.00 52.55 51.64 3din s ASP 237 Cb 0.13 -1.49 0.88 0.00 -1.46 0.00 0.00 42.92 40.97 3din s ASP 237 CO 0.46 0.03 1.75 0.00 0.52 0.00 0.00 175.17 177.93 3din n TYR 238 N 4.44 0.93 0.26 -5.34 -0.00 -1.26 -2.81 117.16 113.37 3din n TYR 238 Ca -0.20 0.30 0.17 0.00 -0.00 0.00 0.00 57.90 58.17 3din n TYR 238 Cb 0.51 -0.99 0.78 0.00 -0.00 0.00 0.00 39.34 39.64 3din n TYR 238 CO 0.00 0.00 0.00 -0.97 -0.00 0.00 0.00 176.86 175.89 3din h ASN 239 N 0.00 0.00 -1.51 2.98 -0.73 -1.93 -3.37 115.58 111.01 3din h ASN 239 Ca 0.00 0.00 -0.41 0.00 1.87 0.00 0.00 56.30 57.76 3din h ASN 239 Cb 0.60 0.00 -0.01 0.00 0.27 0.00 0.00 38.32 39.18 3din h ASN 239 CO 0.00 0.00 1.32 -1.81 -0.37 0.00 0.00 177.43 176.57 3din s ASP 240 N -4.70 4.63 0.00 1.15 1.11 -1.12 -4.78 116.67 112.96 3din s ASP 240 Ca -0.04 0.65 0.00 0.00 0.18 0.00 0.00 52.55 53.34 3din s ASP 240 Cb 0.11 -2.52 0.00 0.00 1.07 0.00 0.00 42.92 41.58 3din s ASP 240 CO 0.36 -2.86 0.49 0.29 1.18 0.00 0.00 175.17 174.63 3din n LYS 241 N 9.03 0.51 -1.54 8.23 4.76 -1.26 -4.79 118.16 133.11 3din n LYS 241 Ca 0.34 0.00 -0.17 0.00 -2.87 0.00 0.00 58.31 55.61 3din n LYS 241 Cb 0.52 -1.24 -0.14 0.00 -1.84 0.00 0.00 35.03 32.33 3din n LYS 241 CO 0.00 0.00 0.00 1.33 -1.37 0.00 0.00 177.40 177.36 3din n VAL 242 N 0.69 -0.00 -1.17 -0.18 0.24 -1.26 -3.97 118.33 112.68 3din n VAL 242 Ca 0.00 -0.50 0.00 0.00 -2.04 0.00 0.00 64.34 61.80 3din n VAL 242 Cb 0.24 -1.18 0.00 0.00 -1.47 0.00 0.00 33.84 31.43 3din n VAL 242 CO 0.00 0.00 0.00 1.67 -2.14 0.00 0.00 176.83 176.36 3din n GLN 243 N 7.46 -2.31 -3.21 7.34 7.27 -1.26 -4.77 117.38 127.90 3din n GLN 243 Ca 0.56 1.93 -0.44 0.00 0.07 0.00 0.00 57.00 59.12 3din n GLN 243 Cb 0.31 -1.79 0.00 0.00 2.41 0.00 0.00 30.24 31.18 3din n GLN 243 CO 0.00 0.00 0.00 -2.13 0.07 0.00 0.00 177.06 175.00 3din n ARG 244 N 0.79 3.90 -0.53 3.69 3.00 -1.25 -4.92 116.66 121.33 3din n ARG 244 Ca 0.00 -4.50 0.00 0.00 -0.00 0.00 0.00 57.85 53.35 3din n ARG 244 Cb 0.00 -2.53 0.00 0.00 0.00 0.00 0.00 32.46 29.93 3din n ARG 244 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.63 178.04 3din n GLY 245 N 2.14 -3.81 3.57 5.14 0.00 -1.26 -4.92 105.19 106.05 3din n GLY 245 Ca 0.25 -0.80 -0.34 0.00 0.00 0.00 0.00 46.02 45.12 3din n GLY 245 CO 0.00 0.00 0.00 -2.38 0.00 0.00 0.00 173.32 170.94 3din s HIS 246 N -1.05 3.13 0.00 1.61 -3.43 -1.26 -4.99 115.29 109.31 3din s HIS 246 Ca 0.00 -0.12 0.00 0.00 -0.80 0.00 0.00 55.06 54.14 3din s HIS 246 Cb 0.00 -2.00 0.00 0.00 -1.43 0.00 0.00 32.58 29.15 3din s HIS 246 CO 0.00 0.07 0.00 1.97 -2.00 0.00 0.00 174.74 174.78 3din n PHE 247 N 3.45 -0.00 -2.91 0.38 1.16 -1.26 -4.63 117.46 113.64 3din n PHE 247 Ca -0.17 0.00 -0.36 0.00 -1.87 0.00 0.00 57.45 55.05 3din n PHE 247 Cb 0.52 0.00 -0.06 0.00 -1.61 0.00 0.00 39.48 38.33 3din n PHE 247 CO 0.00 0.00 0.00 -0.47 -1.87 0.00 0.00 176.76 174.42 3din s TYR 248 N -0.00 3.62 -0.26 2.97 5.04 -1.26 -3.48 117.35 123.97 3din s TYR 248 Ca 0.00 1.60 -0.25 0.00 -2.44 0.00 0.00 57.07 55.98 3din s TYR 248 Cb 0.00 -2.79 0.09 0.00 0.35 0.00 0.00 41.96 39.61 3din s TYR 248 CO 0.00 0.21 0.86 0.00 -1.34 0.00 0.00 175.55 175.28 3din s ALA 249 N -1.67 -1.86 -0.12 3.97 0.00 -0.57 -1.45 121.76 120.05 3din s ALA 249 Ca 0.49 1.92 0.01 0.00 0.00 0.00 0.00 51.96 54.38 3din s ALA 249 Cb -0.16 -1.22 -0.01 0.00 0.00 0.00 0.00 23.12 21.72 3din s ALA 249 CO 0.21 -0.30 -0.15 0.42 0.00 0.00 0.00 175.76 175.95 3din s ILE 250 N 0.21 2.92 -0.34 0.00 1.01 -0.95 -3.30 121.20 120.74 3din s ILE 250 Ca 0.01 -0.71 -0.17 0.00 0.00 0.00 0.00 60.65 59.78 3din s ILE 250 Cb -0.05 -2.21 -0.01 0.00 0.01 0.00 0.00 42.46 40.20 3din s ILE 250 CO -0.02 0.53 0.45 -0.69 0.00 0.00 0.00 174.94 175.21 3din s VAL 251 N 0.30 5.08 -0.60 2.92 1.01 -0.94 -1.88 120.40 126.30 3din s VAL 251 Ca -0.11 0.24 -0.26 0.00 0.00 0.00 0.00 61.98 61.85 3din s VAL 251 Cb -0.16 -3.90 0.04 0.00 0.00 0.00 0.00 36.38 32.36 3din s VAL 251 CO 0.06 -0.15 1.10 -0.62 0.00 0.00 0.00 175.10 175.49 3din s ASP 252 N 1.74 6.34 -0.09 3.32 -1.08 0.11 -1.74 116.67 125.26 3din s ASP 252 Ca 0.16 -0.25 -0.00 0.00 -0.52 0.00 0.00 52.55 51.94 3din s ASP 252 Cb -0.16 -2.50 -0.00 0.00 -1.46 0.00 0.00 42.92 38.80 3din s ASP 252 CO 0.12 -1.45 0.08 1.21 0.52 0.00 0.00 175.17 175.65 3din n GLU 253 N 8.19 -0.31 0.14 4.34 4.07 -1.19 -4.07 120.64 131.82 3din n GLU 253 Ca 0.04 0.07 0.10 0.00 -0.06 0.00 0.00 57.16 57.32 3din n GLU 253 Cb 0.48 -2.16 0.52 0.00 -0.06 0.00 0.00 31.44 30.21 3din n GLU 253 CO 0.00 0.00 0.00 0.00 -0.06 0.00 0.00 177.13 177.07 3din n ALA 254 N -1.52 1.17 0.07 4.31 0.00 -1.21 -1.79 120.51 121.55 3din n ALA 254 Ca -0.01 0.16 0.04 0.00 0.00 0.00 0.00 53.44 53.63 3din n ALA 254 Cb 0.51 -1.30 0.21 0.00 0.00 0.00 0.00 19.45 18.87 3din n ALA 254 CO 0.00 0.00 0.00 -0.25 0.00 0.00 0.00 177.50 177.25 3din n ASP 255 N -2.18 0.20 -0.06 0.00 10.43 -1.26 -0.27 116.55 123.41 3din n ASP 255 Ca -0.01 0.53 -0.08 0.00 2.57 0.00 0.00 54.79 57.81 3din n ASP 255 Cb 0.07 -0.54 -0.08 0.00 1.84 0.00 0.00 41.12 42.41 3din n ASP 255 CO 0.00 0.00 0.00 -1.20 -1.07 0.00 0.00 177.20 174.93 3din n SER 256 N -1.74 2.49 -0.62 -2.24 7.64 -0.74 -4.36 113.62 114.06 3din n SER 256 Ca -0.01 -0.04 0.49 0.00 1.01 0.00 0.00 58.87 60.33 3din n SER 256 Cb 0.10 0.32 0.80 0.00 -1.01 0.00 0.00 64.21 64.43 3din n SER 256 CO 0.00 0.00 0.00 1.62 -3.01 0.00 0.00 175.04 173.65 3din h VAL 257 N 0.00 0.10 0.00 0.44 3.04 -0.69 0.15 116.25 119.29 3din h VAL 257 Ca -0.32 0.00 -0.12 0.00 -1.01 0.00 0.00 66.70 65.25 3din h VAL 257 Cb 1.61 0.10 -0.02 0.00 -2.01 0.00 0.00 31.29 30.97 3din h VAL 257 CO -0.01 0.00 -0.73 0.25 -1.01 0.00 0.00 177.57 176.07 3din h LEU 258 N 0.00 0.00 0.00 3.16 5.85 -1.78 -3.36 115.31 119.18 3din h LEU 258 Ca 0.85 -0.50 0.00 0.00 0.84 0.00 0.00 57.88 59.07 3din h LEU 258 Cb 3.43 0.00 0.00 0.00 0.37 0.00 0.00 40.66 44.46 3din h LEU 258 CO -0.01 1.17 0.17 -0.38 -0.34 0.00 0.00 178.44 179.05 3din n ILE 259 N -4.54 0.96 -0.68 4.05 5.41 0.51 -3.22 119.36 121.86 3din n ILE 259 Ca -0.20 0.41 -0.07 0.00 1.00 0.00 0.00 62.75 63.90 3din n ILE 259 Cb 0.51 -1.41 -0.10 0.00 -0.71 0.00 0.00 39.64 37.93 3din n ILE 259 CO 0.00 0.00 0.00 0.47 0.00 0.00 0.00 176.55 177.02 3din n ASP 260 N -1.20 4.14 -0.00 4.38 9.92 -1.04 -4.63 116.55 128.12 3din n ASP 260 Ca 0.00 -2.23 -0.02 0.00 -0.53 0.00 0.00 54.79 52.01 3din n ASP 260 Cb 0.17 -1.05 -0.01 0.00 -0.64 0.00 0.00 41.12 39.59 3din n ASP 260 CO 0.00 0.00 0.00 -0.33 0.13 0.00 0.00 177.20 177.00 3din h GLU 261 N 3.08 -0.08 -5.22 -1.24 4.39 -1.90 -3.42 114.58 110.19 3din h GLU 261 Ca 0.11 0.01 -0.73 0.00 0.34 0.00 0.00 59.36 59.09 3din h GLU 261 Cb 1.08 0.02 0.03 0.00 -0.10 0.00 0.00 28.75 29.78 3din h GLU 261 CO 0.21 -0.05 0.33 0.00 -1.16 0.00 0.00 179.01 178.33 3din n ALA 262 N -2.63 -2.22 -0.63 3.43 0.00 -1.26 -4.80 120.51 112.40 3din n ALA 262 Ca -0.01 0.48 -0.31 0.00 0.00 0.00 0.00 53.44 53.60 3din n ALA 262 Cb 0.05 -1.60 0.19 0.00 0.00 0.00 0.00 19.45 18.09 3din n ALA 262 CO 0.00 0.00 0.00 2.89 0.00 0.00 0.00 177.50 180.39 3din n ARG 263 N 2.39 -1.35 -3.34 0.00 1.85 -1.26 -4.79 116.66 110.16 3din n ARG 263 Ca 0.22 -0.35 -0.45 0.00 -1.00 0.00 0.00 57.85 56.26 3din n ARG 263 Cb 0.01 -2.07 -0.05 0.00 -1.05 0.00 0.00 32.46 29.30 3din n ARG 263 CO 0.00 0.00 0.00 0.99 -0.01 0.00 0.00 177.63 178.61 3din s THR 264 N -2.43 5.11 -0.11 8.89 2.01 0.20 -4.90 115.64 124.42 3din s THR 264 Ca 0.63 -1.51 0.03 0.00 0.31 0.00 0.00 61.69 61.15 3din s THR 264 Cb -0.21 -4.27 -0.00 0.00 0.01 0.00 0.00 72.50 68.02 3din s THR 264 CO 0.64 -0.85 -0.21 -2.16 -0.69 0.00 0.00 174.62 171.35 3din s PRO 265 N 1.58 3.13 -0.33 4.92 0.04 -1.26 -1.83 135.00 141.25 3din s PRO 265 Ca 0.03 -0.83 -0.17 0.00 0.04 0.00 0.00 61.00 60.08 3din s PRO 265 Cb -0.29 -2.39 -0.01 0.00 0.04 0.00 0.00 34.50 31.85 3din s PRO 265 CO 0.03 0.20 0.45 -1.17 0.04 0.00 0.00 177.00 176.54 3din s LEU 266 N 0.32 4.30 -0.04 -3.56 1.98 -0.92 -4.98 118.68 115.78 3din s LEU 266 Ca -0.16 0.01 0.06 0.00 -2.89 0.00 0.00 54.13 51.15 3din s LEU 266 Cb -0.17 -2.49 -0.01 0.00 0.66 0.00 0.00 46.19 44.17 3din s LEU 266 CO 0.08 -0.37 -0.23 0.27 -1.89 0.00 0.00 176.35 174.20 3din s ILE 267 N 2.22 1.87 0.34 6.68 -5.25 -1.26 -2.69 121.20 123.11 3din s ILE 267 Ca 0.16 -0.98 0.00 0.00 -0.99 0.00 0.00 60.65 58.84 3din s ILE 267 Cb -0.16 -1.58 0.00 0.00 2.95 0.00 0.00 42.46 43.68 3din s ILE 267 CO 0.12 0.53 0.00 0.00 -1.79 0.00 0.00 174.94 173.80 3din n ILE 268 N 2.81 0.00 -2.00 8.37 0.13 -1.23 -4.92 119.36 122.52 3din n ILE 268 Ca -0.17 0.00 -0.39 0.00 -1.10 0.00 0.00 62.75 61.09 3din n ILE 268 Cb 0.52 -0.04 -0.03 0.00 -0.84 0.00 0.00 39.64 39.25 3din n ILE 268 CO 0.00 0.00 0.00 -0.44 2.80 0.00 0.00 176.55 178.91 3din s SER 269 N -2.03 5.37 -0.64 9.51 0.01 -1.26 -4.70 113.70 119.95 3din s SER 269 Ca 0.00 0.61 0.00 0.00 1.31 0.00 0.00 55.95 57.88 3din s SER 269 Cb 0.00 -2.53 0.16 0.00 0.21 0.00 0.00 66.02 63.86 3din s SER 269 CO 0.00 -2.25 0.44 -0.83 0.41 0.00 0.00 173.24 171.01 3din s GLY 270 N 7.86 2.63 -1.10 3.44 0.00 -1.26 -4.59 107.32 114.30 3din s GLY 270 Ca 0.72 -3.43 -0.20 0.00 0.00 0.00 0.00 44.72 41.81 3din s GLY 270 CO 0.24 1.08 1.95 -1.05 0.00 0.00 0.00 173.10 175.33 3din n PRO 271 N 2.99 2.06 -2.05 2.90 -0.02 -1.26 -4.47 135.00 135.15 3din n PRO 271 Ca 0.10 -2.39 -0.42 0.00 -2.02 0.00 0.00 63.50 58.77 3din n PRO 271 Cb 0.35 -3.31 -0.03 0.00 -0.02 0.00 0.00 33.50 30.50 3din n PRO 271 CO 0.00 0.00 0.00 -1.12 1.98 0.00 0.00 175.50 176.36 3din s SER 272 N 4.94 6.63 0.01 2.55 0.01 -1.26 -4.84 113.70 121.74 3din s SER 272 Ca 0.58 2.10 0.25 0.00 1.31 0.00 0.00 55.95 60.18 3din s SER 272 Cb 0.09 -2.53 0.42 0.00 0.21 0.00 0.00 66.02 64.21 3din s SER 272 CO 0.08 -0.98 1.35 1.17 0.41 0.00 0.00 173.24 175.28 3din n LYS 273 N 7.19 0.04 -1.95 12.44 4.81 -1.26 -3.95 118.16 135.49 3din n LYS 273 Ca 0.17 0.01 -0.19 0.00 -0.87 0.00 0.00 58.31 57.43 3din n LYS 273 Cb 0.43 -1.52 0.04 0.00 0.02 0.00 0.00 35.03 34.00 3din n LYS 273 CO 0.00 0.00 0.00 -0.85 1.17 0.00 0.00 177.40 177.72 3din n GLU 274 N -1.58 3.28 0.14 1.64 -0.00 -1.26 -4.84 120.64 118.01 3din n GLU 274 Ca 0.05 -4.03 -0.13 0.00 -0.00 0.00 0.00 57.16 53.04 3din n GLU 274 Cb 0.35 -2.16 -0.08 0.00 -0.00 0.00 0.00 31.44 29.55 3din n GLU 274 CO 0.00 0.00 0.00 0.77 0.00 0.00 0.00 177.13 177.90 3din h SER 275 N 2.10 -0.30 -0.72 -1.84 0.02 -1.90 -1.01 113.55 109.90 3din h SER 275 Ca 0.30 -0.17 0.03 0.00 -0.84 0.00 0.00 61.79 61.11 3din h SER 275 Cb 1.48 0.08 -0.04 0.00 0.14 0.00 0.00 62.40 64.05 3din h SER 275 CO 0.65 0.02 0.48 1.55 -1.14 0.00 0.00 176.83 178.39 3din h PRO 276 N -0.64 0.85 0.75 3.45 0.13 -1.92 -1.59 132.00 133.03 3din h PRO 276 Ca -0.04 -0.05 -0.04 0.00 -0.87 0.00 0.00 66.00 65.01 3din h PRO 276 Cb 0.45 -0.19 0.01 0.00 0.13 0.00 0.00 31.00 31.40 3din h PRO 276 CO 0.06 0.56 -0.36 1.03 -0.23 0.00 0.00 178.00 179.06 3din h SER 277 N 0.88 -0.85 -0.98 1.44 0.87 -1.91 -2.58 113.55 110.42 3din h SER 277 Ca 0.29 0.03 0.28 0.00 -1.23 0.00 0.00 61.79 61.16 3din h SER 277 Cb 0.06 0.22 -0.18 0.00 -0.44 0.00 0.00 62.40 62.06 3din h SER 277 CO -0.08 -0.60 0.10 0.58 -0.53 0.00 0.00 176.83 176.29 3din h VAL 278 N -1.01 0.04 0.00 2.23 2.07 -0.79 1.10 116.25 119.89 3din h VAL 278 Ca -0.10 -0.01 0.00 0.00 0.82 0.00 0.00 66.70 67.41 3din h VAL 278 Cb 0.77 0.02 0.00 0.00 -1.52 0.00 0.00 31.29 30.56 3din h VAL 278 CO 0.17 0.00 0.00 0.00 0.02 0.00 0.00 177.57 177.76 3din n TYR 279 N -5.45 0.00 0.02 1.57 -0.00 -0.63 0.65 117.16 113.32 3din n TYR 279 Ca 0.25 0.00 -0.11 0.00 -0.00 0.00 0.00 57.90 58.04 3din n TYR 279 Cb 0.81 -0.06 -0.06 0.00 -0.00 0.00 0.00 39.34 40.03 3din n TYR 279 CO 0.00 0.00 0.00 -0.09 -0.00 0.00 0.00 176.86 176.77 3din h ARG 280 N 0.00 -0.00 -0.08 2.98 2.43 -1.07 -2.57 114.38 116.06 3din h ARG 280 Ca 0.00 0.00 0.01 0.00 -0.81 0.00 0.00 59.98 59.18 3din h ARG 280 Cb 0.00 0.00 -0.02 0.00 -0.42 0.00 0.00 29.97 29.53 3din h ARG 280 CO 0.00 -0.00 -0.16 -0.09 -1.51 0.00 0.00 179.97 178.21 3din h ARG 281 N -0.00 -0.13 -0.67 0.20 2.43 0.13 -1.40 114.38 114.93 3din h ARG 281 Ca 0.03 0.01 0.19 0.00 -0.81 0.00 0.00 59.98 59.40 3din h ARG 281 Cb 0.05 0.03 -0.03 0.00 -0.42 0.00 0.00 29.97 29.60 3din h ARG 281 CO -0.06 -0.09 0.52 0.74 -1.51 0.00 0.00 179.97 179.57 3din h PHE 282 N -0.14 0.00 0.50 2.20 -1.00 0.21 0.85 116.94 119.57 3din h PHE 282 Ca 0.02 0.00 -0.02 0.00 2.81 0.00 0.00 57.97 60.77 3din h PHE 282 Cb 0.18 0.00 0.00 0.00 3.61 0.00 0.00 35.95 39.75 3din h PHE 282 CO -0.57 0.00 -0.25 0.00 -1.61 0.00 0.00 178.31 175.88 3din h ALA 283 N 1.59 -0.69 -0.31 2.45 0.00 -0.84 -0.82 119.26 120.64 3din h ALA 283 Ca 0.32 -0.15 0.05 0.00 0.00 0.00 0.00 54.91 55.13 3din h ALA 283 Cb 1.35 0.28 -0.05 0.00 0.00 0.00 0.00 17.79 19.37 3din h ALA 283 CO -0.00 -0.89 0.03 0.37 0.00 0.00 0.00 179.25 178.76 3din h GLN 284 N -0.69 0.12 0.00 0.00 4.15 -0.43 -2.81 115.11 115.45 3din h GLN 284 Ca -0.07 -0.01 0.00 0.00 0.77 0.00 0.00 58.65 59.35 3din h GLN 284 Cb 0.53 -0.03 0.00 0.00 0.21 0.00 0.00 27.48 28.19 3din h GLN 284 CO 0.11 0.08 0.00 -0.89 -1.93 0.00 0.00 178.83 176.20 3din n ILE 285 N -5.13 0.00 -0.37 2.39 5.41 -0.00 -1.42 119.36 120.23 3din n ILE 285 Ca 0.00 1.26 -0.02 0.00 1.00 0.00 0.00 62.75 65.00 3din n ILE 285 Cb 0.15 -1.87 0.03 0.00 -0.71 0.00 0.00 39.64 37.24 3din n ILE 285 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 176.55 176.55 3din n ALA 286 N -1.87 -0.16 -0.07 -1.39 0.00 -0.35 0.15 120.51 116.81 3din n ALA 286 Ca 0.00 0.95 0.18 0.00 0.00 0.00 0.00 53.44 54.57 3din n ALA 286 Cb 0.00 -0.40 0.61 0.00 0.00 0.00 0.00 19.45 19.66 3din n ALA 286 CO 0.00 0.00 0.00 0.87 0.00 0.00 0.00 177.50 178.37 3din h LYS 287 N 0.00 0.17 0.50 0.00 1.79 -1.20 -2.39 116.57 115.45 3din h LYS 287 Ca 0.32 -0.01 -0.02 0.00 -2.18 0.00 0.00 60.65 58.76 3din h LYS 287 Cb 0.56 -0.04 -0.01 0.00 -1.58 0.00 0.00 32.23 31.16 3din h LYS 287 CO -0.95 0.11 -0.41 0.87 -1.08 0.00 0.00 179.45 177.99 3din h LYS 288 N 0.18 -0.85 -0.14 3.15 1.79 0.25 -1.83 116.57 119.11 3din h LYS 288 Ca 0.30 0.06 0.01 0.00 -2.18 0.00 0.00 60.65 58.84 3din h LYS 288 Cb 0.93 0.19 -0.01 0.00 -1.58 0.00 0.00 32.23 31.77 3din h LYS 288 CO -0.05 -0.57 0.10 0.35 -1.08 0.00 0.00 179.45 178.20 3din h PHE 289 N -0.89 0.15 -0.96 -1.35 3.04 -1.40 0.39 116.94 115.92 3din h PHE 289 Ca -0.07 0.00 0.19 0.00 3.98 0.00 0.00 57.97 62.08 3din h PHE 289 Cb 0.74 -0.05 -0.11 0.00 2.56 0.00 0.00 35.95 39.10 3din h PHE 289 CO -0.16 0.09 0.55 0.28 -2.02 0.00 0.00 178.31 177.05 3din h VAL 290 N 0.16 0.66 -0.14 1.41 2.07 -0.89 0.76 116.25 120.27 3din h VAL 290 Ca 0.06 -0.23 0.04 0.00 0.82 0.00 0.00 66.70 67.39 3din h VAL 290 Cb 0.04 -0.07 -0.01 0.00 -1.52 0.00 0.00 31.29 29.73 3din h VAL 290 CO -0.01 0.12 0.16 0.50 0.02 0.00 0.00 177.57 178.36 3din h LYS 291 N 0.67 0.00 -6.04 1.57 1.63 0.58 -3.43 116.57 111.56 3din h LYS 291 Ca 0.56 0.00 -0.65 0.00 -0.85 0.00 0.00 60.65 59.71 3din h LYS 291 Cb 0.91 0.00 -0.10 0.00 -0.60 0.00 0.00 32.23 32.44 3din h LYS 291 CO -0.41 0.00 -0.59 0.34 -3.45 0.00 0.00 179.45 175.35 3din s ASP 292 N -5.82 5.59 1.05 4.20 -1.08 0.26 -5.12 116.67 115.75 3din s ASP 292 Ca -0.05 0.11 -0.03 0.00 -0.52 0.00 0.00 52.55 52.06 3din s ASP 292 Cb 0.15 -1.58 0.04 0.00 -1.46 0.00 0.00 42.92 40.07 3din s ASP 292 CO 0.54 0.26 0.11 0.29 0.52 0.00 0.00 175.17 176.89 3din n LYS 293 N 1.11 -1.94 0.19 4.34 5.02 -1.26 -4.99 118.16 120.62 3din n LYS 293 Ca -0.13 -0.18 -0.10 0.00 -2.02 0.00 0.00 58.31 55.88 3din n LYS 293 Cb 0.53 -0.21 -0.05 0.00 -0.02 0.00 0.00 35.03 35.27 3din n LYS 293 CO 0.00 0.00 0.00 0.22 -0.52 0.00 0.00 177.40 177.10 3din h ASP 294 N -1.83 -0.74 0.00 4.39 1.82 -1.99 -3.42 116.42 114.66 3din h ASP 294 Ca -0.05 0.05 -0.65 0.00 -0.39 0.00 0.00 57.03 56.00 3din h ASP 294 Cb 0.15 0.23 -0.04 0.00 0.68 0.00 0.00 39.33 40.35 3din h ASP 294 CO 0.03 -0.38 1.21 0.49 -1.61 0.00 0.00 179.24 178.98 3din n PHE 295 N -4.03 0.95 -0.71 0.28 3.01 -1.26 -4.30 117.46 111.39 3din n PHE 295 Ca -0.07 0.63 0.00 0.00 1.01 0.00 0.00 57.45 59.02 3din n PHE 295 Cb 0.26 -2.03 0.00 0.00 -0.01 0.00 0.00 39.48 37.71 3din n PHE 295 CO 0.00 0.00 0.00 2.41 1.01 0.00 0.00 176.76 180.18 3din n THR 296 N 5.84 0.00 -2.75 4.37 -1.04 -1.26 -4.87 114.28 114.56 3din n THR 296 Ca 0.50 0.00 0.00 0.00 -2.04 0.00 0.00 64.05 62.51 3din n THR 296 Cb -0.03 0.00 0.00 0.00 -1.82 0.00 0.00 70.33 68.48 3din n THR 296 CO 0.00 0.00 0.00 1.33 -0.64 0.00 0.00 175.07 175.76 3din n VAL 297 N 0.00 -1.11 -3.75 12.58 0.24 -1.26 -3.69 118.33 121.34 3din n VAL 297 Ca 0.00 0.11 -0.30 0.00 -2.04 0.00 0.00 64.34 62.11 3din n VAL 297 Cb 0.13 -2.31 -0.15 0.00 -1.47 0.00 0.00 33.84 30.03 3din n VAL 297 CO 0.00 0.00 0.00 -1.81 -2.14 0.00 0.00 176.83 172.88 3din s ASP 298 N -0.22 4.07 0.39 -1.34 1.11 -1.26 -4.15 116.67 115.26 3din s ASP 298 Ca 0.00 -1.74 -0.13 0.00 0.18 0.00 0.00 52.55 50.86 3din s ASP 298 Cb 0.00 -0.93 0.05 0.00 1.07 0.00 0.00 42.92 43.11 3din s ASP 298 CO 0.00 -0.40 0.75 -0.62 1.18 0.00 0.00 175.17 176.07 3din n GLU 299 N 4.73 1.08 -0.04 8.23 1.02 -1.26 -4.99 120.64 129.40 3din n GLU 299 Ca -0.01 -2.30 0.00 0.00 -0.02 0.00 0.00 57.16 54.83 3din n GLU 299 Cb 0.42 2.76 0.00 0.00 -0.02 0.00 0.00 31.44 34.60 3din n GLU 299 CO 0.00 0.00 0.00 1.63 1.18 0.00 0.00 177.13 179.94 3din n LYS 300 N -0.54 0.00 0.00 3.49 5.02 -1.26 -4.56 118.16 120.31 3din n LYS 300 Ca -0.08 0.00 0.00 0.00 -2.02 0.00 0.00 58.31 56.21 3din n LYS 300 Cb 0.59 -1.24 0.00 0.00 -0.02 0.00 0.00 35.03 34.36 3din n LYS 300 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 3din n ALA 301 N 0.98 0.00 -1.63 7.82 0.00 -1.26 -5.05 120.51 121.37 3din n ALA 301 Ca 0.00 0.00 -0.40 0.00 0.00 0.00 0.00 53.44 53.04 3din n ALA 301 Cb 0.00 0.00 -0.02 0.00 0.00 0.00 0.00 19.45 19.43 3din n ALA 301 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 177.50 178.04 3din n ARG 302 N -0.14 3.99 -4.08 0.00 5.12 -1.26 -4.80 116.66 115.49 3din n ARG 302 Ca 0.00 -2.74 -0.17 0.00 -1.93 0.00 0.00 57.85 53.01 3din n ARG 302 Cb 0.00 -2.77 -0.15 0.00 -1.16 0.00 0.00 32.46 28.38 3din n ARG 302 CO 0.00 0.00 0.00 0.95 -1.93 0.00 0.00 177.63 176.65 3din s THR 303 N 0.92 0.35 0.01 0.55 -4.23 -1.26 -5.10 115.64 106.88 3din s THR 303 Ca 0.62 -0.10 -0.15 0.00 -1.18 0.00 0.00 61.69 60.88 3din s THR 303 Cb 0.18 -0.35 0.02 0.00 1.34 0.00 0.00 72.50 73.69 3din s THR 303 CO -0.07 0.14 0.33 -0.63 -0.54 0.00 0.00 174.62 173.85 3din s ILE 304 N 0.45 0.07 -0.03 2.99 1.09 -1.26 -4.55 121.20 119.95 3din s ILE 304 Ca -0.05 -0.54 -0.29 0.00 -1.10 0.00 0.00 60.65 58.68 3din s ILE 304 Cb -0.08 -0.78 0.09 0.00 -1.06 0.00 0.00 42.46 40.63 3din s ILE 304 CO -0.01 -0.30 0.79 -0.51 -0.10 0.00 0.00 174.94 174.82 3din s ILE 305 N -1.89 0.00 0.01 2.92 1.10 -1.24 -4.98 121.20 117.12 3din s ILE 305 Ca -0.10 0.00 0.08 0.00 -0.51 0.00 0.00 60.65 60.12 3din s ILE 305 Cb -0.03 -1.00 -0.02 0.00 0.15 0.00 0.00 42.46 41.56 3din s ILE 305 CO 0.01 0.00 -0.24 -0.22 -2.11 0.00 0.00 174.94 172.38 3din s LEU 306 N -1.77 2.10 0.00 8.50 2.96 -1.26 -4.26 118.68 124.95 3din s LEU 306 Ca -0.03 -0.49 0.00 0.00 -0.22 0.00 0.00 54.13 53.40 3din s LEU 306 Cb -0.01 -1.19 0.00 0.00 0.50 0.00 0.00 46.19 45.49 3din s LEU 306 CO -0.01 0.26 0.00 0.35 -1.32 0.00 0.00 176.35 175.63 3din n THR 307 N 2.20 0.00 0.00 3.68 -2.24 -1.26 -3.82 114.28 112.83 3din n THR 307 Ca -0.16 0.00 0.00 0.00 -2.27 0.00 0.00 64.05 61.62 3din n THR 307 Cb 0.52 0.00 0.00 0.00 -2.10 0.00 0.00 70.33 68.75 3din n THR 307 CO 0.00 0.00 0.00 1.21 -0.57 0.00 0.00 175.07 175.71 3din n GLU 308 N 0.00 0.00 0.20 -0.78 2.13 -1.26 0.40 120.64 121.34 3din n GLU 308 Ca 0.00 0.57 0.18 0.00 0.66 0.00 0.00 57.16 58.56 3din n GLU 308 Cb 0.00 -0.98 0.75 0.00 0.27 0.00 0.00 31.44 31.47 3din n GLU 308 CO 0.00 0.00 0.00 1.05 -0.41 0.00 0.00 177.13 177.77 3din h GLU 309 N 0.00 0.00 0.19 5.31 4.11 -1.93 0.27 114.58 122.53 3din h GLU 309 Ca 0.00 0.00 -0.01 0.00 0.07 0.00 0.00 59.36 59.42 3din h GLU 309 Cb 0.00 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.25 3din h GLU 309 CO 0.00 0.00 -0.09 0.78 0.07 0.00 0.00 179.01 179.77 3din h GLY 310 N 0.00 -0.26 0.15 1.06 0.00 -0.18 0.46 103.07 104.30 3din h GLY 310 Ca 0.11 0.10 0.17 0.00 0.00 0.00 0.00 47.33 47.70 3din h GLY 310 CO -0.00 -0.10 0.47 -2.08 0.00 0.00 0.00 176.54 174.84 3din h VAL 311 N -0.41 0.69 0.30 4.60 2.07 -0.08 0.25 116.25 123.67 3din h VAL 311 Ca -0.03 -0.22 0.00 0.00 0.82 0.00 0.00 66.70 67.28 3din h VAL 311 Cb 0.19 0.01 -0.03 0.00 -1.52 0.00 0.00 31.29 29.94 3din h VAL 311 CO 0.04 0.12 -0.48 0.00 0.02 0.00 0.00 177.57 177.26 3din h ALA 312 N 1.60 -0.99 -0.46 1.67 0.00 -0.48 -1.40 119.26 119.20 3din h ALA 312 Ca 0.50 -0.14 0.06 0.00 0.00 0.00 0.00 54.91 55.34 3din h ALA 312 Cb 0.76 0.76 -0.06 0.00 0.00 0.00 0.00 17.79 19.25 3din h ALA 312 CO -0.39 -1.11 0.14 -0.22 0.00 0.00 0.00 179.25 177.68 3din h LYS 313 N -0.84 0.29 -0.68 0.00 3.64 0.18 1.26 116.57 120.42 3din h LYS 313 Ca -0.03 -0.02 0.14 0.00 -1.27 0.00 0.00 60.65 59.48 3din h LYS 313 Cb 0.79 -0.07 -0.12 0.00 -0.41 0.00 0.00 32.23 32.42 3din h LYS 313 CO -0.17 0.19 -0.09 0.00 -2.27 0.00 0.00 179.45 177.12 3din h ALA 314 N 1.32 0.57 0.04 5.00 0.00 -0.14 0.27 119.26 126.32 3din h ALA 314 Ca 0.22 0.24 -0.23 0.00 0.00 0.00 0.00 54.91 55.15 3din h ALA 314 Cb 0.24 0.45 -0.01 0.00 0.00 0.00 0.00 17.79 18.48 3din h ALA 314 CO -0.24 -0.42 -1.01 0.93 0.00 0.00 0.00 179.25 178.50 3din h GLU 315 N 0.05 0.24 0.00 0.00 3.07 -0.29 -3.22 114.58 114.43 3din h GLU 315 Ca 0.35 -0.32 0.00 0.00 -0.50 0.00 0.00 59.36 58.89 3din h GLU 315 Cb 0.56 0.10 0.00 0.00 -0.84 0.00 0.00 28.75 28.58 3din h GLU 315 CO -0.65 1.07 0.10 0.87 -1.40 0.00 0.00 179.01 179.00 3din h LYS 316 N 0.11 0.00 -4.24 2.33 1.57 0.49 -3.39 116.57 113.45 3din h LYS 316 Ca -0.08 0.00 -0.23 0.00 -1.87 0.00 0.00 60.65 58.48 3din h LYS 316 Cb 1.69 0.00 -0.22 0.00 0.08 0.00 0.00 32.23 33.78 3din h LYS 316 CO 0.16 0.00 -0.72 0.96 -0.57 0.00 0.00 179.45 179.28 3din s ILE 317 N -3.97 0.31 0.00 1.86 -4.36 -0.06 -4.98 121.20 110.00 3din s ILE 317 Ca -0.04 -0.90 0.00 0.00 -0.26 0.00 0.00 60.65 59.45 3din s ILE 317 Cb 0.10 -0.41 0.00 0.00 1.25 0.00 0.00 42.46 43.41 3din s ILE 317 CO 0.32 -0.39 0.00 2.30 0.24 0.00 0.00 174.94 177.41 3din n ILE 318 N 1.68 0.00 0.00 8.37 -5.35 -1.26 -4.64 119.36 118.16 3din n ILE 318 Ca -0.22 0.00 0.00 0.00 -0.27 0.00 0.00 62.75 62.26 3din n ILE 318 Cb 0.55 0.00 0.00 0.00 -1.74 0.00 0.00 39.64 38.45 3din n ILE 318 CO 0.00 0.00 0.00 0.61 -1.76 0.00 0.00 176.55 175.40 3din n GLY 319 N -0.20 -0.85 0.00 3.28 0.00 -1.26 -4.97 105.19 101.19 3din n GLY 319 Ca 0.00 0.40 0.06 0.00 0.00 0.00 0.00 46.02 46.48 3din n GLY 319 CO 0.00 0.00 0.00 -0.62 0.00 0.00 0.00 173.32 172.70 3din n VAL 320 N 0.00 0.00 -2.55 1.61 0.31 -1.26 -3.94 118.33 112.50 3din n VAL 320 Ca 0.00 0.00 -0.43 0.00 -0.01 0.00 0.00 64.34 63.90 3din n VAL 320 Cb 0.00 -0.61 -0.02 0.00 -0.91 0.00 0.00 33.84 32.30 3din n VAL 320 CO 0.00 0.00 0.00 -0.70 -1.32 0.00 0.00 176.83 174.81 3din s GLU 321 N -2.00 3.79 0.01 5.55 2.12 -1.26 -4.91 118.70 121.99 3din s GLU 321 Ca 0.18 0.80 -0.18 0.00 0.36 0.00 0.00 54.97 56.14 3din s GLU 321 Cb 0.08 -3.89 -0.10 0.00 0.26 0.00 0.00 34.13 30.49 3din s GLU 321 CO 0.14 -1.28 0.94 -0.91 -0.54 0.00 0.00 175.26 173.61 3din h ASN 322 N 9.22 -0.55 -0.52 -1.70 2.35 -1.98 -3.35 115.58 119.05 3din h ASN 322 Ca -0.23 0.02 -0.32 0.00 -0.55 0.00 0.00 56.30 55.21 3din h ASN 322 Cb 1.07 0.14 -0.04 0.00 0.05 0.00 0.00 38.32 39.54 3din h ASN 322 CO 1.09 -0.28 0.98 -1.48 -1.65 0.00 0.00 177.43 176.10 3din s LEU 323 N -7.88 3.07 0.22 1.61 2.34 -1.26 -4.73 118.68 112.05 3din s LEU 323 Ca -0.09 -1.42 0.03 0.00 0.06 0.00 0.00 54.13 52.70 3din s LEU 323 Cb 0.01 -2.58 0.20 0.00 -0.56 0.00 0.00 46.19 43.26 3din s LEU 323 CO 0.28 -3.01 1.53 0.10 -1.06 0.00 0.00 176.35 174.19 3din h TYR 324 N 10.11 0.38 -0.61 3.48 -0.00 -1.95 -3.37 116.97 125.02 3din h TYR 324 Ca 0.19 -0.15 0.13 0.00 0.00 0.00 0.00 58.73 58.89 3din h TYR 324 Cb 0.95 -0.07 -0.11 0.00 0.00 0.00 0.00 36.73 37.51 3din h TYR 324 CO 1.21 0.84 -0.03 0.22 -0.00 0.00 0.00 178.16 180.40 3din h ASP 325 N 0.22 -0.32 0.00 0.10 3.58 -1.86 -3.23 116.42 114.91 3din h ASP 325 Ca -0.01 0.16 0.00 0.00 0.42 0.00 0.00 57.03 57.60 3din h ASP 325 Cb 1.14 0.29 0.00 0.00 1.72 0.00 0.00 39.33 42.48 3din h ASP 325 CO 0.10 -0.13 0.61 -2.65 -2.88 0.00 0.00 179.24 174.29 3din n PRO 326 N -5.31 0.00 -1.84 0.28 -0.02 -1.26 -1.57 135.00 125.28 3din n PRO 326 Ca 0.09 0.00 -0.05 0.00 -2.02 0.00 0.00 63.50 61.52 3din n PRO 326 Cb 0.35 -0.74 -0.01 0.00 -0.02 0.00 0.00 33.50 33.07 3din n PRO 326 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 3din n GLY 327 N 3.08 -0.04 0.14 -1.23 0.00 -1.26 -4.71 105.19 101.17 3din n GLY 327 Ca 0.00 0.00 0.09 0.00 0.00 0.00 0.00 46.02 46.11 3din n GLY 327 CO 0.00 0.00 0.00 -2.01 0.00 0.00 0.00 173.32 171.31 3din n ASN 328 N -0.65 2.46 0.10 1.61 4.05 -0.61 -4.70 115.26 117.52 3din n ASN 328 Ca -0.05 -2.97 0.11 0.00 0.45 0.00 0.00 54.58 52.12 3din n ASN 328 Cb 0.36 -0.40 0.45 0.00 1.23 0.00 0.00 39.78 41.43 3din n ASN 328 CO 0.00 0.00 0.00 0.55 -3.05 0.00 0.00 177.26 174.76 3din n VAL 329 N -1.25 0.78 -0.30 3.44 3.14 -1.23 -3.27 118.33 119.63 3din n VAL 329 Ca 0.15 0.14 0.08 0.00 -2.96 0.00 0.00 64.34 61.75 3din n VAL 329 Cb 0.62 -1.01 0.24 0.00 -1.06 0.00 0.00 33.84 32.63 3din n VAL 329 CO 0.00 0.00 0.00 0.77 -6.46 0.00 0.00 176.83 171.14 3din h SER 330 N 0.00 0.55 -0.01 6.55 4.64 -1.91 0.41 113.55 123.79 3din h SER 330 Ca 0.00 0.09 -0.00 0.00 -0.47 0.00 0.00 61.79 61.41 3din h SER 330 Cb 0.41 0.01 -0.00 0.00 -0.31 0.00 0.00 62.40 62.51 3din h SER 330 CO 0.00 0.22 -0.01 -0.07 -0.87 0.00 0.00 176.83 176.10 3din h LEU 331 N 0.63 0.02 -1.51 5.97 4.07 -1.95 -2.84 115.31 119.70 3din h LEU 331 Ca 0.48 -0.52 0.20 0.00 0.08 0.00 0.00 57.88 58.12 3din h LEU 331 Cb 0.70 -0.01 -0.06 0.00 1.08 0.00 0.00 40.66 42.37 3din h LEU 331 CO -0.37 0.54 0.58 0.25 -1.08 0.00 0.00 178.44 178.36 3din h LEU 332 N -0.50 0.41 -0.42 1.67 7.12 -1.44 0.76 115.31 122.92 3din h LEU 332 Ca 0.00 0.04 0.08 0.00 0.13 0.00 0.00 57.88 58.13 3din h LEU 332 Cb 0.53 -0.04 -0.07 0.00 -0.53 0.00 0.00 40.66 40.56 3din h LEU 332 CO 0.00 0.17 -0.01 0.22 -0.13 0.00 0.00 178.44 178.69 3din h TYR 333 N 0.41 -0.05 -0.66 1.25 5.03 0.03 -0.70 116.97 122.27 3din h TYR 333 Ca 0.46 0.03 0.13 0.00 2.58 0.00 0.00 58.73 61.93 3din h TYR 333 Cb 1.12 0.09 -0.09 0.00 1.55 0.00 0.00 36.73 39.39 3din h TYR 333 CO -0.00 -0.10 0.17 1.12 -1.32 0.00 0.00 178.16 178.03 3din h HIS 334 N 0.09 0.27 0.89 -3.82 2.07 0.67 -0.11 115.15 115.21 3din h HIS 334 Ca 0.21 0.04 -0.04 0.00 -2.85 0.00 0.00 60.37 57.72 3din h HIS 334 Cb 0.30 -0.02 0.01 0.00 2.57 0.00 0.00 27.41 30.27 3din h HIS 334 CO -0.29 -0.03 -0.43 1.25 -3.07 0.00 0.00 177.93 175.36 3din h LEU 335 N 0.29 -1.01 -0.93 6.12 6.46 -0.97 -2.79 115.31 122.49 3din h LEU 335 Ca 0.36 0.03 0.26 0.00 -0.12 0.00 0.00 57.88 58.41 3din h LEU 335 Cb 0.55 0.26 -0.14 0.00 -0.73 0.00 0.00 40.66 40.60 3din h LEU 335 CO -0.43 -0.66 0.38 0.40 -0.62 0.00 0.00 178.44 177.50 3din h ILE 336 N -1.31 0.34 0.00 4.05 2.04 -0.95 0.71 117.51 122.39 3din h ILE 336 Ca -0.12 -0.10 0.00 0.00 1.00 0.00 0.00 64.86 65.64 3din h ILE 336 Cb 0.91 0.03 0.00 0.00 -0.74 0.00 0.00 36.82 37.02 3din h ILE 336 CO 0.20 0.05 0.00 0.59 0.00 0.00 0.00 178.15 178.99 3din n ASN 337 N -5.13 0.00 -0.39 1.72 3.02 -0.08 0.22 115.26 114.61 3din n ASN 337 Ca 0.25 0.37 -0.05 0.00 -0.03 0.00 0.00 54.58 55.12 3din n ASN 337 Cb 0.78 0.00 -0.01 0.00 -0.61 0.00 0.00 39.78 39.94 3din n ASN 337 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 3din h ALA 338 N -2.14 -0.11 -0.33 5.41 0.00 -1.27 0.23 119.26 121.06 3din h ALA 338 Ca 0.00 0.22 0.03 0.00 0.00 0.00 0.00 54.91 55.16 3din h ALA 338 Cb 0.00 1.14 -0.04 0.00 0.00 0.00 0.00 17.79 18.89 3din h ALA 338 CO 0.00 -0.75 -0.19 -0.11 0.00 0.00 0.00 179.25 178.19 3din n LEU 339 N -5.39 -0.35 -0.18 0.00 0.00 0.22 0.39 117.00 111.68 3din n LEU 339 Ca 0.07 0.97 -0.06 0.00 0.00 0.00 0.00 56.01 56.99 3din n LEU 339 Cb 0.35 -0.27 0.03 0.00 0.00 0.00 0.00 43.42 43.53 3din n LEU 339 CO -0.14 -0.67 1.09 0.11 0.00 0.00 0.00 177.39 177.78 3din h LYS 340 N 0.00 0.67 0.00 1.96 1.57 0.25 -3.03 116.57 118.00 3din h LYS 340 Ca 0.05 -0.04 0.00 0.00 -1.87 0.00 0.00 60.65 58.79 3din h LYS 340 Cb 0.13 -0.15 0.00 0.00 0.08 0.00 0.00 32.23 32.29 3din h LYS 340 CO -0.31 0.45 0.00 0.00 -0.57 0.00 0.00 179.45 179.02 3din n ALA 341 N -2.25 -0.07 0.17 3.86 0.00 0.16 0.19 120.51 122.57 3din n ALA 341 Ca 0.03 0.00 0.04 0.00 0.00 0.00 0.00 53.44 53.51 3din n ALA 341 Cb 0.03 0.16 0.20 0.00 0.00 0.00 0.00 19.45 19.84 3din n ALA 341 CO 0.00 0.00 0.00 -0.07 0.00 0.00 0.00 177.50 177.43 3din h LEU 342 N 0.00 0.00 0.00 0.00 3.38 -1.11 -3.19 115.31 114.39 3din h LEU 342 Ca 0.00 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.97 3din h LEU 342 Cb 0.00 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.75 3din h LEU 342 CO 0.00 0.00 -0.27 1.41 0.09 0.00 0.00 178.44 179.67 3din n HIS 343 N -1.95 -0.37 -0.34 1.13 8.25 -0.76 -4.82 115.22 116.36 3din n HIS 343 Ca -0.00 0.07 0.27 0.00 -0.26 0.00 0.00 57.72 57.79 3din n HIS 343 Cb 0.54 0.12 0.58 0.00 1.12 0.00 0.00 29.99 32.35 3din n HIS 343 CO 0.00 0.00 0.00 1.37 0.64 0.00 0.00 176.34 178.35 3din h LEU 344 N 0.00 0.32 -7.03 2.41 -0.00 0.20 -3.33 115.31 107.88 3din h LEU 344 Ca 0.00 0.07 -0.57 0.00 -0.00 0.00 0.00 57.88 57.38 3din h LEU 344 Cb 0.27 0.02 -0.40 0.00 -0.00 0.00 0.00 40.66 40.55 3din h LEU 344 CO 0.00 0.03 -0.76 -0.36 -0.00 0.00 0.00 178.44 177.35 3din s PHE 345 N -5.34 1.37 -0.09 0.17 2.99 -1.21 -5.05 117.98 110.82 3din s PHE 345 Ca -0.08 -1.60 -0.39 0.00 0.00 0.00 0.00 56.93 54.86 3din s PHE 345 Cb 0.25 -1.51 -0.17 0.00 0.00 0.00 0.00 43.02 41.60 3din s PHE 345 CO 0.80 -0.86 1.48 1.17 -0.00 0.00 0.00 175.22 177.81 3din n LYS 346 N 4.78 0.97 0.21 0.44 4.81 -1.25 -4.70 118.16 123.42 3din n LYS 346 Ca -0.01 0.35 0.10 0.00 -0.87 0.00 0.00 58.31 57.88 3din n LYS 346 Cb 0.41 -1.99 0.54 0.00 0.02 0.00 0.00 35.03 34.01 3din n LYS 346 CO 0.00 0.00 0.00 1.57 1.17 0.00 0.00 177.40 180.14 3din h LYS 347 N 5.41 0.00 -0.12 1.64 2.10 -1.88 0.52 116.57 124.25 3din h LYS 347 Ca -0.47 0.00 0.00 0.00 -2.00 0.00 0.00 60.65 58.18 3din h LYS 347 Cb 1.34 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 32.67 3din h LYS 347 CO 0.84 0.00 0.00 -3.47 -2.00 0.00 0.00 179.45 174.82 3din n ASP 348 N -2.32 0.76 -0.00 7.07 -0.08 -1.26 -2.47 116.55 118.24 3din n ASP 348 Ca -0.01 -1.80 0.00 0.00 -1.51 0.00 0.00 54.79 51.47 3din n ASP 348 Cb 0.28 -0.08 -0.01 0.00 2.34 0.00 0.00 41.12 43.66 3din n ASP 348 CO 0.00 0.00 0.00 0.52 0.12 0.00 0.00 177.20 177.84 3din n VAL 349 N -0.17 0.00 -2.93 5.18 0.31 0.18 -4.47 118.33 116.43 3din n VAL 349 Ca 0.09 -0.46 -0.24 0.00 -0.01 0.00 0.00 64.34 63.72 3din n VAL 349 Cb 0.15 0.98 -0.03 0.00 -0.91 0.00 0.00 33.84 34.03 3din n VAL 349 CO 0.00 0.00 0.00 0.47 -1.32 0.00 0.00 176.83 175.98 3din n ASP 350 N -1.04 3.60 -3.77 4.52 8.00 -1.03 -3.66 116.55 123.16 3din n ASP 350 Ca 0.00 -3.50 -0.27 0.00 0.71 0.00 0.00 54.79 51.73 3din n ASP 350 Cb 0.02 -0.56 0.23 0.00 -0.02 0.00 0.00 41.12 40.78 3din n ASP 350 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 3din n TYR 351 N -0.16 -2.49 -3.82 1.24 9.36 -0.97 -4.35 117.16 115.97 3din n TYR 351 Ca 0.30 -0.30 -0.30 0.00 3.32 0.00 0.00 57.90 60.92 3din n TYR 351 Cb 0.50 -1.46 -0.15 0.00 -0.63 0.00 0.00 39.34 37.60 3din n TYR 351 CO 0.00 0.00 0.00 0.08 0.22 0.00 0.00 176.86 177.16 3din s VAL 352 N -2.18 1.18 0.90 2.97 1.01 -1.26 -0.95 120.40 122.07 3din s VAL 352 Ca 0.57 -1.38 -0.13 0.00 0.00 0.00 0.00 61.98 61.04 3din s VAL 352 Cb -0.13 -1.76 0.05 0.00 0.00 0.00 0.00 36.38 34.54 3din s VAL 352 CO 0.54 -0.48 0.62 0.55 0.00 0.00 0.00 175.10 176.33 3din n VAL 353 N 4.75 0.41 -0.94 2.92 3.14 -1.25 -4.51 118.33 122.86 3din n VAL 353 Ca -0.04 -0.19 -0.19 0.00 -2.96 0.00 0.00 64.34 60.96 3din n VAL 353 Cb 0.43 -0.75 -0.12 0.00 -1.06 0.00 0.00 33.84 32.34 3din n VAL 353 CO 0.00 0.00 0.00 0.23 -6.46 0.00 0.00 176.83 170.60 3din n MET 354 N -2.14 0.00 -0.74 1.45 2.81 -1.26 -0.33 117.12 116.91 3din n MET 354 Ca 0.09 0.00 -0.03 0.00 -1.81 0.00 0.00 57.70 55.94 3din n MET 354 Cb 0.53 -0.76 -0.01 0.00 -0.71 0.00 0.00 33.22 32.26 3din n MET 354 CO 0.00 0.00 0.00 0.09 1.51 0.00 0.00 175.97 177.57 3din n ASN 355 N 4.77 -2.49 0.30 7.83 3.02 -1.26 -4.66 115.26 122.76 3din n ASN 355 Ca 0.42 0.08 0.19 0.00 -0.03 0.00 0.00 54.58 55.25 3din n ASN 355 Cb 0.06 -2.00 0.88 0.00 -0.61 0.00 0.00 39.78 38.11 3din n ASN 355 CO 0.00 0.00 0.00 1.23 -2.62 0.00 0.00 177.26 175.87 3din h GLY 356 N 0.00 0.00 0.00 7.41 0.00 -0.98 -3.44 103.07 106.05 3din h GLY 356 Ca -0.07 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.26 3din h GLY 356 CO 0.10 0.00 0.00 1.18 0.00 0.00 0.00 176.54 177.82 3din n GLU 357 N -3.06 -0.60 -3.12 4.80 1.02 -1.24 -4.93 120.64 113.50 3din n GLU 357 Ca -0.01 0.15 -0.41 0.00 -0.02 0.00 0.00 57.16 56.88 3din n GLU 357 Cb 0.21 -4.39 -0.07 0.00 -0.02 0.00 0.00 31.44 27.18 3din n GLU 357 CO 0.00 0.00 0.00 0.08 1.18 0.00 0.00 177.13 178.39 3din s VAL 358 N -1.33 4.98 -0.97 2.62 1.01 -1.26 -4.75 120.40 120.69 3din s VAL 358 Ca 0.00 1.03 -0.24 0.00 0.00 0.00 0.00 61.98 62.77 3din s VAL 358 Cb 0.00 -3.94 0.02 0.00 0.00 0.00 0.00 36.38 32.46 3din s VAL 358 CO 0.00 -0.01 1.60 -0.63 0.00 0.00 0.00 175.10 176.05 3din s ILE 359 N 2.51 3.77 0.29 2.22 1.09 -1.26 -3.92 121.20 125.91 3din s ILE 359 Ca 0.25 -0.60 0.02 0.00 -1.10 0.00 0.00 60.65 59.22 3din s ILE 359 Cb -0.15 -4.73 -0.03 0.00 -1.06 0.00 0.00 42.46 36.48 3din s ILE 359 CO 0.09 -1.63 0.46 0.27 -0.10 0.00 0.00 174.94 174.04 3din s ILE 360 N 6.55 5.17 -0.28 2.92 -4.36 -0.13 -4.88 121.20 126.20 3din s ILE 360 Ca 0.53 -0.63 -0.05 0.00 -0.26 0.00 0.00 60.65 60.24 3din s ILE 360 Cb -0.02 -3.85 0.02 0.00 1.25 0.00 0.00 42.46 39.86 3din s ILE 360 CO -0.06 -0.44 0.03 -0.69 0.24 0.00 0.00 174.94 174.02 3din s VAL 361 N -2.15 3.57 -1.53 8.37 1.01 -1.26 -2.28 120.40 126.14 3din s VAL 361 Ca 0.38 -0.82 0.17 0.00 0.00 0.00 0.00 61.98 61.70 3din s VAL 361 Cb -0.10 -2.84 0.44 0.00 0.00 0.00 0.00 36.38 33.89 3din s VAL 361 CO 0.33 0.12 1.36 0.47 0.00 0.00 0.00 175.10 177.37 3din n ASP 362 N 4.79 3.33 -3.29 3.32 9.92 -1.24 -2.91 116.55 130.47 3din n ASP 362 Ca -0.15 -1.97 0.00 0.00 -0.53 0.00 0.00 54.79 52.14 3din n ASP 362 Cb 0.48 -0.32 0.00 0.00 -0.64 0.00 0.00 41.12 40.63 3din n ASP 362 CO 0.00 0.00 0.00 -0.62 0.13 0.00 0.00 177.20 176.71 3din n GLU 363 N 1.07 -0.32 -3.75 -1.24 1.02 -1.25 -4.04 120.64 112.13 3din n GLU 363 Ca 0.17 0.00 -0.26 0.00 -0.02 0.00 0.00 57.16 57.05 3din n GLU 363 Cb 0.51 0.00 0.01 0.00 -0.02 0.00 0.00 31.44 31.94 3din n GLU 363 CO 0.00 0.00 0.00 0.34 1.18 0.00 0.00 177.13 178.65 3din n PHE 364 N -1.82 -2.04 -0.33 -0.32 7.35 -1.26 -2.43 117.46 116.62 3din n PHE 364 Ca 0.00 0.73 0.00 0.00 -0.76 0.00 0.00 57.45 57.42 3din n PHE 364 Cb 0.00 -2.97 0.00 0.00 0.35 0.00 0.00 39.48 36.86 3din n PHE 364 CO 0.00 0.00 0.00 0.25 -0.76 0.00 0.00 176.76 176.25 3din n THR 365 N -3.01 0.00 0.00 -2.13 -2.24 -1.26 -4.87 114.28 100.77 3din n THR 365 Ca -0.24 0.00 0.00 0.00 -2.27 0.00 0.00 64.05 61.54 3din n THR 365 Cb 0.65 -0.33 0.00 0.00 -2.10 0.00 0.00 70.33 68.55 3din n THR 365 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 3din n GLY 366 N 0.18 0.89 0.00 3.38 0.00 -1.02 -4.72 105.19 103.89 3din n GLY 366 Ca 0.00 -0.79 0.00 0.00 0.00 0.00 0.00 46.02 45.23 3din n GLY 366 CO 0.00 0.00 0.00 -2.13 0.00 0.00 0.00 173.32 171.19 3din n ARG 367 N 0.00 0.00 -1.73 1.61 0.63 -1.26 -4.69 116.66 111.23 3din n ARG 367 Ca 0.00 0.00 -0.01 0.00 -0.92 0.00 0.00 57.85 56.92 3din n ARG 367 Cb 0.00 0.00 -0.01 0.00 0.45 0.00 0.00 32.46 32.90 3din n ARG 367 CO 0.00 0.00 0.00 -0.11 -2.51 0.00 0.00 177.63 175.01 3din n LEU 368 N 0.00 -3.21 -4.07 6.15 0.00 -1.26 -5.02 117.00 109.59 3din n LEU 368 Ca 0.00 0.70 -0.34 0.00 0.00 0.00 0.00 56.01 56.37 3din n LEU 368 Cb 0.00 -1.65 -0.13 0.00 0.00 0.00 0.00 43.42 41.63 3din n LEU 368 CO 0.00 -1.10 -0.24 -0.76 0.00 0.00 0.00 177.39 175.29 3din s LEU 369 N -0.19 5.01 0.67 -1.96 1.43 -1.15 -4.99 118.68 117.51 3din s LEU 369 Ca -0.07 -2.13 -0.17 0.00 -1.03 0.00 0.00 54.13 50.73 3din s LEU 369 Cb 0.00 -1.73 -0.05 0.00 0.03 0.00 0.00 46.19 44.44 3din s LEU 369 CO 0.18 -0.46 0.56 -2.65 0.23 0.00 0.00 176.35 174.22 3din n PRO 370 N 4.38 0.41 0.00 1.29 -0.02 -1.26 -3.98 135.00 135.82 3din n PRO 370 Ca 0.01 0.18 0.00 0.00 -2.02 0.00 0.00 63.50 61.67 3din n PRO 370 Cb 0.41 -1.82 0.00 0.00 -0.02 0.00 0.00 33.50 32.07 3din n PRO 370 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 3din n GLY 371 N 1.66 0.00 0.00 -1.23 0.00 -1.26 -4.96 105.19 99.40 3din n GLY 371 Ca 0.11 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.13 3din n GLY 371 CO 0.00 0.00 0.00 -2.13 0.00 0.00 0.00 173.32 171.19 3din n ARG 372 N 0.86 0.00 -3.70 1.61 0.63 -1.26 -5.12 116.66 109.68 3din n ARG 372 Ca 0.00 0.00 -0.14 0.00 -0.92 0.00 0.00 57.85 56.79 3din n ARG 372 Cb 0.00 0.00 -0.08 0.00 0.45 0.00 0.00 32.46 32.83 3din n ARG 372 CO 0.00 0.00 0.00 0.50 -2.51 0.00 0.00 177.63 175.62 3din s ARG 373 N -2.00 0.71 0.00 -0.14 6.06 -1.26 -4.68 118.95 117.64 3din s ARG 373 Ca 0.00 0.13 0.24 0.00 -2.50 0.00 0.00 55.73 53.61 3din s ARG 373 Cb 0.00 0.33 1.31 0.00 0.06 0.00 0.00 34.95 36.65 3din s ARG 373 CO 0.00 -0.18 1.86 0.98 -2.50 0.00 0.00 175.30 175.46 3din n TYR 374 N 1.63 0.03 -3.74 5.12 9.36 -1.26 -4.91 117.16 123.39 3din n TYR 374 Ca -0.19 -0.02 -0.08 0.00 3.32 0.00 0.00 57.90 60.94 3din n TYR 374 Cb 0.56 0.00 -0.02 0.00 -0.63 0.00 0.00 39.34 39.26 3din n TYR 374 CO 0.00 0.00 0.00 -1.12 0.22 0.00 0.00 176.86 175.96 3din s SER 375 N -1.77 -0.31 -0.52 2.98 0.01 -1.26 -5.05 113.70 107.78 3din s SER 375 Ca 0.36 -0.43 -0.01 0.00 1.31 0.00 0.00 55.95 57.18 3din s SER 375 Cb 0.18 0.66 0.39 0.00 0.21 0.00 0.00 66.02 67.46 3din s SER 375 CO 0.29 -1.18 1.99 0.61 0.41 0.00 0.00 173.24 175.36 3din n GLY 376 N -0.44 5.08 0.00 3.44 0.00 -1.26 -4.31 105.19 107.70 3din n GLY 376 Ca -0.07 -1.74 0.00 0.00 0.00 0.00 0.00 46.02 44.21 3din n GLY 376 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3din n GLY 377 N -0.53 0.00 0.11 -0.02 0.00 -1.26 -4.97 105.19 98.53 3din n GLY 377 Ca 0.51 0.00 -0.11 0.00 0.00 0.00 0.00 46.02 46.42 3din n GLY 377 CO 0.00 0.00 0.00 -2.00 0.00 0.00 0.00 173.32 171.32 3din h LEU 378 N 0.00 -0.14 -0.65 0.99 6.46 -1.97 -2.26 115.31 117.74 3din h LEU 378 Ca 0.00 -0.42 0.13 0.00 -0.12 0.00 0.00 57.88 57.47 3din h LEU 378 Cb 0.00 0.04 -0.12 0.00 -0.73 0.00 0.00 40.66 39.84 3din h LEU 378 CO 0.00 0.44 -0.18 -0.74 -0.62 0.00 0.00 178.44 177.34 3din h HIS 379 N -0.82 -0.41 0.00 1.25 2.76 -1.94 0.33 115.15 116.32 3din h HIS 379 Ca -0.02 0.06 -0.04 0.00 -2.20 0.00 0.00 60.37 58.17 3din h HIS 379 Cb 0.55 0.28 -0.01 0.00 1.55 0.00 0.00 27.41 29.79 3din h HIS 379 CO 0.10 -0.30 -0.19 -0.56 -1.30 0.00 0.00 177.93 175.69 3din h GLN 380 N -0.02 0.00 0.35 5.26 3.07 -1.87 -1.47 115.11 120.43 3din h GLN 380 Ca 0.31 0.00 -0.02 0.00 0.09 0.00 0.00 58.65 59.03 3din h GLN 380 Cb 0.49 0.00 0.00 0.00 0.08 0.00 0.00 27.48 28.05 3din h GLN 380 CO -0.68 0.19 -0.17 0.00 0.09 0.00 0.00 178.83 178.26 3din h ALA 381 N 1.81 -0.64 -0.36 0.06 0.00 0.20 -1.97 119.26 118.37 3din h ALA 381 Ca -0.00 -0.10 0.01 0.00 0.00 0.00 0.00 54.91 54.82 3din h ALA 381 Cb 0.79 0.18 -0.02 0.00 0.00 0.00 0.00 17.79 18.74 3din h ALA 381 CO 0.02 -0.61 0.24 0.97 0.00 0.00 0.00 179.25 179.88 3din h ILE 382 N -0.79 1.07 -0.92 0.00 2.10 -1.19 0.17 117.51 117.95 3din h ILE 382 Ca -0.05 -0.16 0.08 0.00 1.08 0.00 0.00 64.86 65.81 3din h ILE 382 Cb 0.36 0.58 -0.07 0.00 -1.09 0.00 0.00 36.82 36.60 3din h ILE 382 CO 0.08 0.08 0.57 -0.33 -1.08 0.00 0.00 178.15 177.48 3din h GLU 383 N 0.45 0.98 0.00 2.19 3.07 -1.27 0.61 114.58 120.61 3din h GLU 383 Ca 0.14 -0.06 -0.01 0.00 -0.50 0.00 0.00 59.36 58.93 3din h GLU 383 Cb 0.00 -0.22 -0.00 0.00 -0.84 0.00 0.00 28.75 27.69 3din h GLU 383 CO -0.03 0.65 -0.06 0.00 -1.40 0.00 0.00 179.01 178.17 3din h ALA 384 N 1.45 1.03 0.00 3.43 0.00 0.11 -2.71 119.26 122.57 3din h ALA 384 Ca 0.41 -0.05 -0.13 0.00 0.00 0.00 0.00 54.91 55.15 3din h ALA 384 Cb 0.25 -0.01 -0.02 0.00 0.00 0.00 0.00 17.79 18.01 3din h ALA 384 CO -0.20 0.07 -0.78 -0.22 0.00 0.00 0.00 179.25 178.12 3din h LYS 385 N 0.00 0.00 0.00 0.00 3.64 0.10 -3.45 116.57 116.86 3din h LYS 385 Ca -0.00 0.00 0.00 0.00 -1.27 0.00 0.00 60.65 59.38 3din h LYS 385 Cb 0.52 0.00 0.00 0.00 -0.41 0.00 0.00 32.23 32.34 3din h LYS 385 CO 0.01 0.47 0.00 0.39 -2.27 0.00 0.00 179.45 178.04 3din n GLU 386 N -3.14 0.00 0.00 1.90 -0.58 -0.07 -5.09 120.64 113.67 3din n GLU 386 Ca -0.01 0.00 0.00 0.00 -0.42 0.00 0.00 57.16 56.73 3din n GLU 386 Cb 0.77 0.00 0.00 0.00 -0.57 0.00 0.00 31.44 31.64 3din n GLU 386 CO 0.00 0.00 0.00 0.41 -0.48 0.00 0.00 177.13 177.06 3din n GLY 387 N 3.61 0.67 3.59 0.62 0.00 -1.20 -5.08 105.19 107.40 3din n GLY 387 Ca 0.00 0.03 -0.45 0.00 0.00 0.00 0.00 46.02 45.60 3din n GLY 387 CO 0.00 0.00 0.00 3.33 0.00 0.00 0.00 173.32 176.65 3din n VAL 388 N 0.00 0.41 -3.49 1.61 0.24 -1.26 -4.81 118.33 111.03 3din n VAL 388 Ca 0.00 -0.32 -0.37 0.00 -2.04 0.00 0.00 64.34 61.62 3din n VAL 388 Cb 0.00 -2.23 -0.07 0.00 -1.47 0.00 0.00 33.84 30.07 3din n VAL 388 CO 0.00 0.00 0.00 -2.16 -2.14 0.00 0.00 176.83 172.53 3din s PRO 389 N 5.69 4.26 0.00 7.34 0.04 -1.26 -4.89 135.00 146.17 3din s PRO 389 Ca 1.00 0.18 0.00 0.00 0.04 0.00 0.00 61.00 62.21 3din s PRO 389 Cb -0.52 -3.42 0.00 0.00 0.04 0.00 0.00 34.50 30.60 3din s PRO 389 CO 0.42 0.24 0.00 0.44 0.04 0.00 0.00 177.00 178.14 3din n ILE 390 N 3.53 0.00 -2.06 0.56 -5.35 -1.26 -5.05 119.36 109.73 3din n ILE 390 Ca -0.11 0.00 -0.03 0.00 -0.27 0.00 0.00 62.75 62.34 3din n ILE 390 Cb 0.52 -1.93 -0.03 0.00 -1.74 0.00 0.00 39.64 36.46 3din n ILE 390 CO 0.00 0.00 0.00 2.29 -1.76 0.00 0.00 176.55 177.08 3din n LYS 391 N 0.00 0.00 -4.03 6.28 2.85 -1.26 -4.85 118.16 117.15 3din n LYS 391 Ca 0.00 -0.78 -0.27 0.00 -1.05 0.00 0.00 58.31 56.21 3din n LYS 391 Cb 0.00 0.19 -0.05 0.00 -0.65 0.00 0.00 35.03 34.52 3din n LYS 391 CO 0.00 0.00 0.00 -1.21 -0.05 0.00 0.00 177.40 176.14 3din s GLU 392 N 0.00 3.07 -0.34 -1.58 0.41 -1.26 -4.27 118.70 114.73 3din s GLU 392 Ca 0.04 -0.75 -0.07 0.00 -0.41 0.00 0.00 54.97 53.78 3din s GLU 392 Cb 0.05 -2.76 0.20 0.00 -1.78 0.00 0.00 34.13 29.83 3din s GLU 392 CO -0.02 0.51 1.03 -1.83 -0.49 0.00 0.00 175.26 174.46 3din s GLU 393 N -3.02 0.26 0.21 1.61 -1.05 -1.26 -4.78 118.70 110.68 3din s GLU 393 Ca 0.32 -0.16 0.03 0.00 -0.15 0.00 0.00 54.97 55.01 3din s GLU 393 Cb -0.11 0.01 -0.05 0.00 -0.44 0.00 0.00 34.13 33.55 3din s GLU 393 CO 0.25 -0.36 -0.01 -1.54 0.95 0.00 0.00 175.26 174.55 3din s SER 394 N 1.59 1.75 0.00 0.83 1.04 -1.26 -4.67 113.70 112.98 3din s SER 394 Ca 0.18 -1.19 0.00 0.00 0.48 0.00 0.00 55.95 55.42 3din s SER 394 Cb 0.06 0.02 0.00 0.00 0.10 0.00 0.00 66.02 66.20 3din s SER 394 CO -0.13 -0.50 0.00 -0.38 0.98 0.00 0.00 173.24 173.22 3din n ILE 395 N -0.37 0.00 0.00 -1.02 5.41 -1.26 -4.51 119.36 117.61 3din n ILE 395 Ca -0.06 0.00 0.00 0.00 1.00 0.00 0.00 62.75 63.69 3din n ILE 395 Cb 0.63 0.00 0.00 0.00 -0.71 0.00 0.00 39.64 39.56 3din n ILE 395 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 176.55 176.96 3din n THR 396 N 0.00 0.00 -3.47 1.39 -1.04 -1.25 -3.48 114.28 106.42 3din n THR 396 Ca 0.00 0.00 -0.12 0.00 -2.04 0.00 0.00 64.05 61.89 3din n THR 396 Cb 0.00 0.00 -0.02 0.00 -1.82 0.00 0.00 70.33 68.49 3din n THR 396 CO 0.00 0.00 0.00 -0.31 -0.64 0.00 0.00 175.07 174.12 3din s TYR 397 N 0.00 -0.48 0.16 -1.42 1.51 -1.09 -4.60 117.35 111.42 3din s TYR 397 Ca 0.00 0.25 -0.08 0.00 -1.01 0.00 0.00 57.07 56.22 3din s TYR 397 Cb 0.00 0.53 -0.01 0.00 -0.11 0.00 0.00 41.96 42.37 3din s TYR 397 CO 0.00 -0.86 0.27 0.00 -1.11 0.00 0.00 175.55 173.85 3din s ALA 398 N -3.77 0.05 -0.23 3.71 0.00 -1.26 -2.17 121.76 118.09 3din s ALA 398 Ca 0.02 -0.91 -0.29 0.00 0.00 0.00 0.00 51.96 50.77 3din s ALA 398 Cb -0.01 0.85 0.16 0.00 0.00 0.00 0.00 23.12 24.12 3din s ALA 398 CO -0.12 -0.63 1.19 -0.08 0.00 0.00 0.00 175.76 176.12 3din s THR 399 N -3.97 0.00 -0.15 0.00 -1.32 -0.76 -4.95 115.64 104.49 3din s THR 399 Ca 0.17 0.00 -0.29 0.00 -1.21 0.00 0.00 61.69 60.36 3din s THR 399 Cb 0.04 -1.00 -0.02 0.00 -1.51 0.00 0.00 72.50 70.01 3din s THR 399 CO -0.00 0.00 1.23 -0.63 -2.21 0.00 0.00 174.62 173.01 3din s ILE 400 N -1.00 4.32 0.48 5.08 -1.09 -1.26 0.59 121.20 128.30 3din s ILE 400 Ca 0.04 1.60 0.27 0.00 -2.23 0.00 0.00 60.65 60.33 3din s ILE 400 Cb -0.01 -4.03 0.46 0.00 -1.58 0.00 0.00 42.46 37.30 3din s ILE 400 CO -0.04 -0.12 1.81 0.74 -1.23 0.00 0.00 174.94 176.11 3din h THR 401 N 5.40 0.50 0.00 2.92 2.02 -1.87 -2.07 112.91 119.82 3din h THR 401 Ca -0.27 -0.06 0.00 0.00 0.77 0.00 0.00 66.41 66.85 3din h THR 401 Cb 1.11 0.30 0.00 0.00 -1.74 0.00 0.00 68.15 67.82 3din h THR 401 CO 0.95 0.03 0.00 2.22 0.37 0.00 0.00 175.52 179.10 3din n PHE 402 N -4.40 0.00 -0.30 3.16 -0.00 -1.26 -4.20 117.46 110.47 3din n PHE 402 Ca 0.24 0.00 0.03 0.00 -0.00 0.00 0.00 57.45 57.71 3din n PHE 402 Cb 1.01 0.00 0.10 0.00 -0.00 0.00 0.00 39.48 40.59 3din n PHE 402 CO 0.00 0.00 0.00 0.37 -0.00 0.00 0.00 176.76 177.13 3din h GLN 403 N 0.00 -0.01 -0.48 3.97 -0.00 -1.93 1.75 115.11 118.41 3din h GLN 403 Ca 0.00 0.00 -0.06 0.00 -0.00 0.00 0.00 58.65 58.59 3din h GLN 403 Cb 0.00 0.00 -0.02 0.00 0.00 0.00 0.00 27.48 27.46 3din h GLN 403 CO 0.00 -0.01 0.05 -0.91 0.00 0.00 0.00 178.83 177.96 3din h ASN 404 N -0.01 0.73 0.00 -0.69 -0.26 -1.89 -2.14 115.58 111.32 3din h ASN 404 Ca 0.39 -0.15 0.00 0.00 -0.56 0.00 0.00 56.30 55.98 3din h ASN 404 Cb 0.61 -0.19 0.00 0.00 -1.06 0.00 0.00 38.32 37.68 3din h ASN 404 CO -0.86 0.77 0.00 0.00 -1.06 0.00 0.00 177.43 176.27 3din n TYR 405 N -4.25 0.00 -0.15 1.19 9.36 0.19 -3.43 117.16 120.08 3din n TYR 405 Ca 0.03 0.00 -0.03 0.00 3.32 0.00 0.00 57.90 61.22 3din n TYR 405 Cb 0.27 -0.09 0.06 0.00 -0.63 0.00 0.00 39.34 38.94 3din n TYR 405 CO 0.00 0.00 0.00 0.74 0.22 0.00 0.00 176.86 177.82 3din h PHE 406 N 0.00 0.14 0.00 2.98 -1.00 0.21 0.27 116.94 119.55 3din h PHE 406 Ca 0.00 0.03 0.00 0.00 2.81 0.00 0.00 57.97 60.81 3din h PHE 406 Cb 0.00 0.01 0.00 0.00 3.61 0.00 0.00 35.95 39.57 3din h PHE 406 CO 0.00 -0.01 0.00 0.54 -1.61 0.00 0.00 178.31 177.23 3din n ARG 407 N -5.12 0.07 0.12 1.51 1.74 -0.82 -0.39 116.66 113.77 3din n ARG 407 Ca 0.05 0.26 0.03 0.00 -0.77 0.00 0.00 57.85 57.42 3din n ARG 407 Cb 0.23 -1.63 0.42 0.00 -1.02 0.00 0.00 32.46 30.46 3din n ARG 407 CO 0.00 0.00 0.00 1.98 -1.52 0.00 0.00 177.63 178.09 3din h MET 408 N 0.00 0.25 -1.74 5.56 4.05 -0.25 -3.43 114.93 119.37 3din h MET 408 Ca 0.00 -0.05 0.07 0.00 -0.28 0.00 0.00 59.70 59.45 3din h MET 408 Cb 0.36 -0.04 -0.24 0.00 -0.80 0.00 0.00 31.60 30.87 3din h MET 408 CO 0.00 0.34 0.22 -0.47 0.23 0.00 0.00 176.91 177.23 3din s TYR 409 N -4.85 -0.80 0.00 1.39 6.14 0.47 -5.08 117.35 114.63 3din s TYR 409 Ca -0.06 1.59 0.00 0.00 0.64 0.00 0.00 57.07 59.24 3din s TYR 409 Cb 0.16 0.48 0.00 0.00 0.42 0.00 0.00 41.96 43.01 3din s TYR 409 CO 0.73 -0.39 0.00 -1.91 0.64 0.00 0.00 175.55 174.61 3din n GLU 410 N 4.00 0.00 -4.30 4.97 4.07 -1.23 -4.17 120.64 123.98 3din n GLU 410 Ca -0.19 0.00 -0.26 0.00 -0.06 0.00 0.00 57.16 56.65 3din n GLU 410 Cb 0.58 0.00 -0.06 0.00 -0.06 0.00 0.00 31.44 31.90 3din n GLU 410 CO 0.00 0.00 0.00 1.63 -0.06 0.00 0.00 177.13 178.70 3din n LYS 411 N 1.63 0.77 -3.74 5.31 5.02 -1.23 -4.70 118.16 121.23 3din n LYS 411 Ca 0.00 -3.23 -0.13 0.00 -2.02 0.00 0.00 58.31 52.93 3din n LYS 411 Cb 0.00 1.25 -0.08 0.00 -0.02 0.00 0.00 35.03 36.17 3din n LYS 411 CO 0.00 0.00 0.00 -0.51 -0.52 0.00 0.00 177.40 176.37 3din s LEU 412 N 0.00 0.75 -0.20 -0.35 1.43 -1.24 -1.52 118.68 117.54 3din s LEU 412 Ca 0.08 0.08 -0.04 0.00 -1.03 0.00 0.00 54.13 53.23 3din s LEU 412 Cb 0.00 1.37 0.09 0.00 0.03 0.00 0.00 46.19 47.69 3din s LEU 412 CO 0.06 -0.49 0.20 0.00 0.23 0.00 0.00 176.35 176.35 3din s ALA 413 N -1.53 -0.16 0.83 4.21 0.00 -1.21 -3.05 121.76 120.85 3din s ALA 413 Ca -0.12 0.12 -0.12 0.00 0.00 0.00 0.00 51.96 51.83 3din s ALA 413 Cb -0.04 -1.30 0.09 0.00 0.00 0.00 0.00 23.12 21.87 3din s ALA 413 CO 0.03 -1.24 1.20 0.20 0.00 0.00 0.00 175.76 175.95 3din s GLY 414 N 2.30 1.61 -0.09 0.00 0.00 0.42 -2.20 107.32 109.36 3din s GLY 414 Ca 0.06 -0.71 -0.00 0.00 0.00 0.00 0.00 44.72 44.07 3din s GLY 414 CO -0.13 -0.19 -0.05 1.06 0.00 0.00 0.00 173.10 173.79 3din s MET 415 N -5.61 1.15 0.00 2.90 -1.94 -0.71 -3.43 119.30 111.66 3din s MET 415 Ca 0.63 -0.13 0.00 0.00 -1.71 0.00 0.00 55.69 54.48 3din s MET 415 Cb -0.10 -1.27 0.00 0.00 2.01 0.00 0.00 34.83 35.47 3din s MET 415 CO 0.49 -0.23 0.00 2.41 -0.01 0.00 0.00 175.02 177.69 3din n THR 416 N 4.78 0.00 -0.08 2.05 -1.04 -1.00 -3.14 114.28 115.85 3din n THR 416 Ca -0.13 0.00 0.00 0.00 -2.04 0.00 0.00 64.05 61.88 3din n THR 416 Cb 0.50 0.00 0.00 0.00 -1.82 0.00 0.00 70.33 69.01 3din n THR 416 CO 0.00 0.00 0.00 0.61 -0.64 0.00 0.00 175.07 175.04 3din n GLY 417 N 0.00 0.00 0.00 3.41 0.00 -1.26 -3.54 105.19 103.80 3din n GLY 417 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.02 3din n GLY 417 CO 0.00 0.00 0.00 2.41 0.00 0.00 0.00 173.32 175.73 3din n THR 418 N -0.74 0.00 -1.28 2.61 -1.04 -1.26 -4.56 114.28 108.02 3din n THR 418 Ca 0.00 0.00 -0.37 0.00 -2.04 0.00 0.00 64.05 61.64 3din n THR 418 Cb 0.49 0.00 0.05 0.00 -1.82 0.00 0.00 70.33 69.05 3din n THR 418 CO 0.00 0.00 0.00 0.00 -0.64 0.00 0.00 175.07 174.43 3din n ALA 419 N 0.00 -2.00 0.30 2.41 0.00 -1.26 -4.82 120.51 115.14 3din n ALA 419 Ca 0.00 -0.20 0.16 0.00 0.00 0.00 0.00 53.44 53.40 3din n ALA 419 Cb 0.00 -1.72 0.74 0.00 0.00 0.00 0.00 19.45 18.47 3din n ALA 419 CO 0.00 0.00 0.00 0.87 0.00 0.00 0.00 177.50 178.37 3din h LYS 420 N -0.25 0.00 -0.99 0.00 1.57 -2.02 -2.82 116.57 112.07 3din h LYS 420 Ca -0.45 0.00 0.19 0.00 -1.87 0.00 0.00 60.65 58.52 3din h LYS 420 Cb 1.37 0.00 -0.10 0.00 0.08 0.00 0.00 32.23 33.58 3din h LYS 420 CO 0.42 0.00 0.61 1.15 -0.57 0.00 0.00 179.45 181.06 3din h THR 421 N 0.00 0.71 0.00 -0.16 2.02 -2.04 -2.97 112.91 110.48 3din h THR 421 Ca 0.00 -0.24 -0.10 0.00 0.77 0.00 0.00 66.41 66.84 3din h THR 421 Cb 0.25 -0.05 -0.02 0.00 -1.74 0.00 0.00 68.15 66.60 3din h THR 421 CO 0.00 0.13 -1.01 1.05 0.37 0.00 0.00 175.52 176.06 3din h GLU 422 N 0.70 0.00 0.24 6.66 -0.00 -1.84 -3.35 114.58 116.99 3din h GLU 422 Ca 0.55 0.00 -0.01 0.00 -0.00 0.00 0.00 59.36 59.90 3din h GLU 422 Cb 0.94 0.00 0.00 0.00 -0.00 0.00 0.00 28.75 29.69 3din h GLU 422 CO -0.33 0.22 -0.12 0.93 -0.00 0.00 0.00 179.01 179.72 3din h GLU 423 N 0.00 -0.31 -0.93 1.06 5.08 -1.67 0.83 114.58 118.63 3din h GLU 423 Ca -0.07 0.02 0.16 0.00 -1.00 0.00 0.00 59.36 58.46 3din h GLU 423 Cb 1.34 0.07 -0.08 0.00 0.50 0.00 0.00 28.75 30.58 3din h GLU 423 CO 0.03 0.01 0.59 0.77 -1.00 0.00 0.00 179.01 179.41 3din h SER 424 N -0.67 0.69 0.17 1.42 0.02 -1.76 -0.73 113.55 112.69 3din h SER 424 Ca -0.03 0.05 -0.01 0.00 -0.84 0.00 0.00 61.79 60.96 3din h SER 424 Cb 0.47 -0.08 0.00 0.00 0.14 0.00 0.00 62.40 62.93 3din h SER 424 CO 0.05 0.32 -0.08 -0.33 -1.14 0.00 0.00 176.83 175.65 3din h GLU 425 N 0.71 -0.23 0.00 3.45 4.39 -1.63 -0.20 114.58 121.08 3din h GLU 425 Ca 0.48 0.02 0.00 0.00 0.34 0.00 0.00 59.36 60.20 3din h GLU 425 Cb 0.78 0.05 0.00 0.00 -0.10 0.00 0.00 28.75 29.48 3din h GLU 425 CO -0.24 0.14 0.00 1.19 -1.16 0.00 0.00 179.01 178.94 3din n PHE 426 N -5.01 0.00 0.00 4.33 0.99 0.28 -2.71 117.46 115.35 3din n PHE 426 Ca -0.09 0.00 -0.00 0.00 -0.00 0.00 0.00 57.45 57.36 3din n PHE 426 Cb 0.25 0.00 -0.00 0.00 -1.00 0.00 0.00 39.48 38.73 3din n PHE 426 CO 0.00 0.00 0.00 0.28 -0.00 0.00 0.00 176.76 177.04 3din n VAL 427 N -0.52 0.15 0.14 -4.37 0.31 -0.41 0.20 118.33 113.83 3din n VAL 427 Ca 0.00 0.13 0.02 0.00 -0.01 0.00 0.00 64.34 64.48 3din n VAL 427 Cb 0.00 -1.18 0.12 0.00 -0.91 0.00 0.00 33.84 31.87 3din n VAL 427 CO 0.00 0.00 0.00 0.00 -1.32 0.00 0.00 176.83 175.51 3din n GLN 428 N -2.64 0.04 0.00 5.55 1.13 -0.12 -3.76 117.38 117.57 3din n GLN 428 Ca -0.00 0.45 0.00 0.00 -1.94 0.00 0.00 57.00 55.50 3din n GLN 428 Cb 0.01 -2.16 0.00 0.00 0.11 0.00 0.00 30.24 28.20 3din n GLN 428 CO 0.00 0.00 0.00 1.33 -1.44 0.00 0.00 177.06 176.95 3din n VAL 429 N -1.75 0.00 0.20 5.09 0.24 -1.10 -4.99 118.33 116.02 3din n VAL 429 Ca -0.00 0.00 -0.17 0.00 -2.04 0.00 0.00 64.34 62.12 3din n VAL 429 Cb 0.56 0.00 -0.10 0.00 -1.47 0.00 0.00 33.84 32.83 3din n VAL 429 CO 0.00 0.00 0.00 1.88 -2.14 0.00 0.00 176.83 176.57 3din h TYR 430 N 0.00 -1.47 -0.48 6.34 0.05 -1.73 -3.48 116.97 116.20 3din h TYR 430 Ca 0.00 0.03 0.00 0.00 0.05 0.00 0.00 58.73 58.81 3din h TYR 430 Cb 0.00 0.60 0.00 0.00 1.01 0.00 0.00 36.73 38.34 3din h TYR 430 CO 0.00 -0.63 0.00 0.41 -1.05 0.00 0.00 178.16 176.89 3din n GLY 431 N -1.52 0.54 0.00 3.88 0.00 -0.12 -4.96 105.19 103.01 3din n GLY 431 Ca -0.10 -0.18 0.00 0.00 0.00 0.00 0.00 46.02 45.74 3din n GLY 431 CO 0.00 0.00 0.00 1.03 0.00 0.00 0.00 173.32 174.35 3din n MET 432 N -0.24 1.44 -1.12 1.61 2.81 0.55 -4.97 117.12 117.20 3din n MET 432 Ca 0.00 0.00 0.00 0.00 -1.81 0.00 0.00 57.70 55.89 3din n MET 432 Cb 0.11 0.00 0.00 0.00 -0.71 0.00 0.00 33.22 32.62 3din n MET 432 CO 0.00 0.00 0.00 0.39 1.51 0.00 0.00 175.97 177.87 3din n GLU 433 N 0.00 0.00 -4.74 0.03 -0.58 -1.23 -4.51 120.64 109.60 3din n GLU 433 Ca 0.00 0.00 -0.24 0.00 -0.42 0.00 0.00 57.16 56.50 3din n GLU 433 Cb 0.00 0.00 -0.15 0.00 -0.57 0.00 0.00 31.44 30.72 3din n GLU 433 CO 0.00 0.00 0.00 0.08 -0.48 0.00 0.00 177.13 176.73 3din s VAL 434 N -1.94 1.26 -0.51 2.62 1.01 -1.26 -2.24 120.40 119.34 3din s VAL 434 Ca 0.00 -0.66 0.04 0.00 0.00 0.00 0.00 61.98 61.36 3din s VAL 434 Cb 0.00 -1.06 0.16 0.00 0.00 0.00 0.00 36.38 35.48 3din s VAL 434 CO 0.00 0.36 0.38 -0.69 0.00 0.00 0.00 175.10 175.15 3din s VAL 435 N -0.20 1.34 -0.14 2.92 1.01 -0.83 -4.87 120.40 119.63 3din s VAL 435 Ca 0.02 -3.17 -0.29 0.00 0.00 0.00 0.00 61.98 58.54 3din s VAL 435 Cb -0.08 -1.91 -0.04 0.00 0.00 0.00 0.00 36.38 34.35 3din s VAL 435 CO 0.00 -1.11 1.69 -0.69 0.00 0.00 0.00 175.10 174.99 3din s VAL 436 N -0.39 3.58 -0.04 2.92 1.01 -1.26 -3.48 120.40 122.73 3din s VAL 436 Ca 0.28 0.67 0.00 0.00 0.00 0.00 0.00 61.98 62.93 3din s VAL 436 Cb -0.03 -3.53 0.03 0.00 0.00 0.00 0.00 36.38 32.84 3din s VAL 436 CO -0.16 -0.17 -0.00 -0.63 0.00 0.00 0.00 175.10 174.14 3din s ILE 437 N 4.93 0.23 -0.47 2.22 1.01 -1.23 -4.95 121.20 122.93 3din s ILE 437 Ca 0.75 0.08 -0.16 0.00 0.00 0.00 0.00 60.65 61.32 3din s ILE 437 Cb -0.29 -0.33 0.06 0.00 0.01 0.00 0.00 42.46 41.91 3din s ILE 437 CO 0.30 0.17 0.44 -2.16 0.00 0.00 0.00 174.94 173.69 3din s PRO 438 N 1.18 3.01 0.68 2.79 0.04 -1.26 -4.48 135.00 136.95 3din s PRO 438 Ca -0.07 -1.22 -0.11 0.00 0.04 0.00 0.00 61.00 59.63 3din s PRO 438 Cb -0.13 -4.11 0.17 0.00 0.04 0.00 0.00 34.50 30.47 3din s PRO 438 CO -0.02 -1.04 0.39 -2.37 0.04 0.00 0.00 177.00 174.00 3din n THR 439 N 5.29 0.00 -1.61 1.26 5.66 -1.26 -4.79 114.28 118.83 3din n THR 439 Ca -0.11 0.00 -0.51 0.00 -3.05 0.00 0.00 64.05 60.38 3din n THR 439 Cb 0.44 -0.45 -0.06 0.00 -1.55 0.00 0.00 70.33 68.72 3din n THR 439 CO 0.00 0.00 0.00 1.41 -3.05 0.00 0.00 175.07 173.43 3din n HIS 440 N -4.28 1.68 -2.56 1.09 8.25 -1.26 -3.68 115.22 114.45 3din n HIS 440 Ca 0.06 0.56 -0.01 0.00 -0.26 0.00 0.00 57.72 58.07 3din n HIS 440 Cb 0.27 -2.38 -0.01 0.00 1.12 0.00 0.00 29.99 29.00 3din n HIS 440 CO 0.00 0.00 0.00 1.63 0.64 0.00 0.00 176.34 178.61 3din n LYS 441 N 2.73 -3.25 -2.67 -0.41 4.76 -1.26 -4.88 118.16 113.18 3din n LYS 441 Ca 0.18 2.63 -0.42 0.00 -2.87 0.00 0.00 58.31 57.83 3din n LYS 441 Cb 0.21 -4.87 -0.03 0.00 -1.84 0.00 0.00 35.03 28.50 3din n LYS 441 CO 0.00 0.00 0.00 -1.25 -1.37 0.00 0.00 177.40 174.78 3din s PRO 442 N -1.36 4.53 -1.80 1.97 0.04 -1.24 -4.19 135.00 132.95 3din s PRO 442 Ca -0.03 1.47 -0.22 0.00 0.04 0.00 0.00 61.00 62.25 3din s PRO 442 Cb 0.00 -3.45 0.22 0.00 0.04 0.00 0.00 34.50 31.31 3din s PRO 442 CO 0.70 -0.10 0.55 -1.33 0.04 0.00 0.00 177.00 176.86 3din n MET 443 N 4.01 -0.73 0.13 4.56 2.81 -1.26 -4.75 117.12 121.88 3din n MET 443 Ca 0.07 0.13 0.05 0.00 -1.81 0.00 0.00 57.70 56.14 3din n MET 443 Cb 0.50 -4.48 0.27 0.00 -0.71 0.00 0.00 33.22 28.80 3din n MET 443 CO 0.00 0.00 0.00 0.44 1.51 0.00 0.00 175.97 177.92 3din n ILE 444 N -3.93 0.72 -2.95 2.02 -6.64 -1.26 -4.67 119.36 102.65 3din n ILE 444 Ca 0.10 0.69 -0.30 0.00 -1.77 0.00 0.00 62.75 61.47 3din n ILE 444 Cb 0.44 -1.69 -0.03 0.00 -1.44 0.00 0.00 39.64 36.92 3din n ILE 444 CO 0.00 0.00 0.00 0.00 -1.77 0.00 0.00 176.55 174.78 3din s ARG 445 N -3.16 3.72 0.16 6.28 1.04 -1.26 -4.59 118.95 121.14 3din s ARG 445 Ca -0.01 0.34 0.01 0.00 -1.04 0.00 0.00 55.73 55.02 3din s ARG 445 Cb 0.03 -2.45 -0.04 0.00 -2.04 0.00 0.00 34.95 30.45 3din s ARG 445 CO 0.09 0.01 0.32 0.15 -0.04 0.00 0.00 175.30 175.83 3din s LYS 446 N -3.86 3.47 0.08 3.89 1.02 -0.84 -4.91 119.74 118.59 3din s LYS 446 Ca 0.49 -0.48 -0.00 0.00 0.02 0.00 0.00 55.97 56.00 3din s LYS 446 Cb -0.10 -2.93 -0.04 0.00 -0.52 0.00 0.00 37.83 34.24 3din s LYS 446 CO 0.32 0.49 -0.03 -0.51 -0.92 0.00 0.00 175.35 174.70 3din s ASP 447 N -3.13 0.68 0.06 2.83 1.01 -1.26 -2.49 116.67 114.36 3din s ASP 447 Ca 0.36 -1.04 0.03 0.00 0.71 0.00 0.00 52.55 52.62 3din s ASP 447 Cb -0.11 0.18 -0.03 0.00 1.01 0.00 0.00 42.92 43.97 3din s ASP 447 CO 0.29 -0.58 -0.10 -1.00 0.21 0.00 0.00 175.17 173.98 3din s HIS 448 N -3.84 0.90 1.14 4.23 3.76 -0.03 -4.88 115.29 116.56 3din s HIS 448 Ca 0.11 -0.49 -0.17 0.00 -0.15 0.00 0.00 55.06 54.36 3din s HIS 448 Cb 0.07 -0.52 0.22 0.00 1.11 0.00 0.00 32.58 33.46 3din s HIS 448 CO -0.06 -0.03 0.45 -0.25 -0.85 0.00 0.00 174.74 173.99 3din n ASP 449 N 1.35 -3.17 -4.47 1.40 8.00 -1.26 -4.20 116.55 114.20 3din n ASP 449 Ca -0.22 -0.47 -0.44 0.00 0.71 0.00 0.00 54.79 54.38 3din n ASP 449 Cb 0.55 -0.86 -0.00 0.00 -0.02 0.00 0.00 41.12 40.78 3din n ASP 449 CO 0.00 0.00 0.00 -1.81 -0.39 0.00 0.00 177.20 175.00 3din s ASP 450 N -2.24 7.02 -0.16 -2.24 1.01 -1.26 -3.26 116.67 115.54 3din s ASP 450 Ca 0.47 -2.88 -0.29 0.00 0.71 0.00 0.00 52.55 50.56 3din s ASP 450 Cb -0.09 -2.41 -0.05 0.00 1.01 0.00 0.00 42.92 41.38 3din s ASP 450 CO 0.44 -0.80 1.82 -0.76 0.21 0.00 0.00 175.17 176.08 3din s LEU 451 N 1.82 3.92 0.22 1.23 1.43 -0.58 -4.78 118.68 121.95 3din s LEU 451 Ca 0.42 1.92 0.04 0.00 -1.03 0.00 0.00 54.13 55.49 3din s LEU 451 Cb -0.03 -3.53 -0.03 0.00 0.03 0.00 0.00 46.19 42.64 3din s LEU 451 CO -0.00 -1.36 0.35 -0.69 0.23 0.00 0.00 176.35 174.88 3din s VAL 452 N 5.68 5.27 -0.08 -1.59 1.01 -1.13 -2.26 120.40 127.30 3din s VAL 452 Ca 0.81 -0.91 -0.12 0.00 0.00 0.00 0.00 61.98 61.77 3din s VAL 452 Cb -0.31 -3.83 0.03 0.00 0.00 0.00 0.00 36.38 32.27 3din s VAL 452 CO 0.33 -0.28 0.30 -0.36 0.00 0.00 0.00 175.10 175.09 3din s PHE 453 N -1.94 -0.27 0.18 5.22 0.40 -0.35 -3.06 117.98 118.16 3din s PHE 453 Ca 0.34 0.62 -0.00 0.00 -0.60 0.00 0.00 56.93 57.29 3din s PHE 453 Cb -0.09 0.10 0.04 0.00 0.51 0.00 0.00 43.02 43.57 3din s PHE 453 CO 0.29 -0.23 0.25 0.54 0.70 0.00 0.00 175.22 176.77 3din n ARG 454 N 2.39 0.38 -0.89 0.44 1.74 -1.26 -2.02 116.66 117.44 3din n ARG 454 Ca -0.16 -0.63 0.00 0.00 -0.77 0.00 0.00 57.85 56.29 3din n ARG 454 Cb 0.57 -0.17 0.00 0.00 -1.02 0.00 0.00 32.46 31.84 3din n ARG 454 CO 0.00 0.00 0.00 2.41 -1.52 0.00 0.00 177.63 178.52 3din n THR 455 N -1.79 -0.33 -0.54 0.55 -1.04 -1.26 -4.67 114.28 105.19 3din n THR 455 Ca 0.04 0.06 0.06 0.00 -2.04 0.00 0.00 64.05 62.17 3din n THR 455 Cb 0.14 -0.58 -0.03 0.00 -1.82 0.00 0.00 70.33 68.04 3din n THR 455 CO 0.00 0.00 0.00 0.00 -0.64 0.00 0.00 175.07 174.43 3din n GLN 456 N 0.92 -1.26 0.00 -2.82 6.02 -1.26 -4.36 117.38 114.61 3din n GLN 456 Ca 0.00 1.03 0.00 0.00 -0.01 0.00 0.00 57.00 58.02 3din n GLN 456 Cb 0.06 -1.46 0.00 0.00 1.02 0.00 0.00 30.24 29.86 3din n GLN 456 CO 0.00 0.00 0.00 1.17 -1.01 0.00 0.00 177.06 177.22 3din n LYS 457 N -2.81 0.01 0.00 -1.09 4.81 -1.26 -3.66 118.16 114.16 3din n LYS 457 Ca -0.03 0.00 0.01 0.00 -0.87 0.00 0.00 58.31 57.41 3din n LYS 457 Cb 0.25 -1.00 0.04 0.00 0.02 0.00 0.00 35.03 34.34 3din n LYS 457 CO 0.00 0.00 0.00 0.39 1.17 0.00 0.00 177.40 178.96 3din n GLU 458 N 0.29 0.01 0.09 1.64 -0.58 -1.26 0.27 120.64 121.10 3din n GLU 458 Ca 0.00 0.40 -0.23 0.00 -0.42 0.00 0.00 57.16 56.92 3din n GLU 458 Cb 0.00 -1.50 -0.13 0.00 -0.57 0.00 0.00 31.44 29.24 3din n GLU 458 CO 0.00 0.00 0.00 1.57 -0.48 0.00 0.00 177.13 178.22 3din h LYS 459 N 0.00 0.63 -0.20 3.49 5.09 -1.85 -2.63 116.57 121.10 3din h LYS 459 Ca 0.00 -0.85 0.06 0.00 0.09 0.00 0.00 60.65 59.95 3din h LYS 459 Cb 0.02 0.28 -0.01 0.00 0.10 0.00 0.00 32.23 32.63 3din h LYS 459 CO 0.00 1.39 0.22 -0.92 -2.09 0.00 0.00 179.45 178.04 3din h TYR 460 N 0.27 0.00 -0.07 0.07 3.20 -0.50 0.87 116.97 120.80 3din h TYR 460 Ca -0.19 0.00 -0.04 0.00 3.14 0.00 0.00 58.73 61.63 3din h TYR 460 Cb 1.93 0.00 0.00 0.00 1.54 0.00 0.00 36.73 40.20 3din h TYR 460 CO 0.12 0.00 -0.13 1.49 -1.64 0.00 0.00 178.16 178.00 3din h GLU 461 N 0.00 0.21 -0.03 1.82 4.81 -1.38 -2.60 114.58 117.42 3din h GLU 461 Ca 0.09 -0.13 -0.03 0.00 -0.13 0.00 0.00 59.36 59.16 3din h GLU 461 Cb 0.52 0.02 -0.01 0.00 0.63 0.00 0.00 28.75 29.91 3din h GLU 461 CO -0.00 0.71 -0.13 -0.22 -0.73 0.00 0.00 179.01 178.64 3din h LYS 462 N -0.26 0.05 0.00 1.92 1.63 0.71 0.16 116.57 120.77 3din h LYS 462 Ca 0.00 -0.01 -0.05 0.00 -0.85 0.00 0.00 60.65 59.74 3din h LYS 462 Cb 0.70 -0.01 -0.01 0.00 -0.60 0.00 0.00 32.23 32.31 3din h LYS 462 CO 0.03 0.18 -0.26 0.97 -3.45 0.00 0.00 179.45 176.92 3din h ILE 463 N 0.04 0.70 0.59 2.00 2.10 0.13 -2.69 117.51 120.39 3din h ILE 463 Ca 0.01 -1.12 -0.03 0.00 1.08 0.00 0.00 64.86 64.81 3din h ILE 463 Cb 0.26 1.71 0.00 0.00 -1.09 0.00 0.00 36.82 37.70 3din h ILE 463 CO 0.02 0.25 -0.32 0.58 -1.08 0.00 0.00 178.15 177.59 3din h VAL 464 N 0.00 0.00 -1.14 2.19 2.07 -0.56 -0.09 116.25 118.72 3din h VAL 464 Ca -0.00 0.00 0.32 0.00 0.82 0.00 0.00 66.70 67.84 3din h VAL 464 Cb 0.69 0.00 -0.08 0.00 -1.52 0.00 0.00 31.29 30.38 3din h VAL 464 CO 0.03 0.00 0.77 1.05 0.02 0.00 0.00 177.57 179.44 3din h GLU 465 N -0.84 0.20 0.35 1.57 4.11 -1.48 0.37 114.58 118.86 3din h GLU 465 Ca -0.08 -0.01 -0.02 0.00 0.07 0.00 0.00 59.36 59.32 3din h GLU 465 Cb 0.66 -0.04 0.00 0.00 0.50 0.00 0.00 28.75 29.87 3din h GLU 465 CO 0.11 0.13 -0.17 1.49 0.07 0.00 0.00 179.01 180.64 3din h GLU 466 N 0.20 -0.45 -0.94 1.06 4.57 -0.92 0.10 114.58 118.20 3din h GLU 466 Ca 0.61 0.03 0.20 0.00 -1.18 0.00 0.00 59.36 59.02 3din h GLU 466 Cb 1.95 0.10 -0.08 0.00 -0.16 0.00 0.00 28.75 30.56 3din h GLU 466 CO -0.20 -0.29 0.61 0.82 -1.18 0.00 0.00 179.01 178.77 3din h ILE 467 N -0.48 0.69 0.17 2.32 2.04 0.15 -1.81 117.51 120.60 3din h ILE 467 Ca -0.05 -0.18 -0.01 0.00 1.00 0.00 0.00 64.86 65.62 3din h ILE 467 Cb 0.37 0.12 0.00 0.00 -0.74 0.00 0.00 36.82 36.57 3din h ILE 467 CO 0.08 0.10 -0.08 -0.08 0.00 0.00 0.00 178.15 178.16 3din h GLU 468 N 0.52 -0.23 -1.51 2.37 4.81 -0.29 -0.55 114.58 119.70 3din h GLU 468 Ca 0.50 0.02 0.49 0.00 -0.13 0.00 0.00 59.36 60.23 3din h GLU 468 Cb 1.08 0.05 -0.12 0.00 0.63 0.00 0.00 28.75 30.40 3din h GLU 468 CO -0.24 -0.15 1.01 0.87 -0.73 0.00 0.00 179.01 179.78 3din h LYS 469 N -0.26 0.03 0.14 1.92 6.56 -0.50 1.01 116.57 125.47 3din h LYS 469 Ca -0.02 -0.00 -0.01 0.00 -1.06 0.00 0.00 60.65 59.56 3din h LYS 469 Cb 0.18 -0.01 0.00 0.00 -0.57 0.00 0.00 32.23 31.83 3din h LYS 469 CO 0.04 0.02 -0.07 0.00 -2.06 0.00 0.00 179.45 177.38 3din h ARG 470 N 0.03 -0.18 -0.51 3.15 3.08 -1.13 -3.10 114.38 115.70 3din h ARG 470 Ca 0.87 0.01 0.09 0.00 0.07 0.00 0.00 59.98 61.02 3din h ARG 470 Cb 2.98 0.04 -0.10 0.00 0.08 0.00 0.00 29.97 32.97 3din h ARG 470 CO -0.33 0.24 -0.36 -0.92 -1.07 0.00 0.00 179.97 177.53 3din h TYR 471 N -0.68 -1.03 -0.75 3.04 -0.00 0.27 -0.57 116.97 117.26 3din h TYR 471 Ca -0.02 0.07 0.16 0.00 -0.00 0.00 0.00 58.73 58.94 3din h TYR 471 Cb 0.50 0.53 -0.11 0.00 -0.00 0.00 0.00 36.73 37.65 3din h TYR 471 CO 0.07 -0.40 0.23 -0.22 -0.00 0.00 0.00 178.16 177.84 3din h LYS 472 N -0.22 0.32 0.00 1.82 1.63 -1.37 0.74 116.57 119.48 3din h LYS 472 Ca 0.19 -0.02 0.00 0.00 -0.85 0.00 0.00 60.65 59.98 3din h LYS 472 Cb 0.56 -0.07 0.00 0.00 -0.60 0.00 0.00 32.23 32.11 3din h LYS 472 CO -0.63 0.21 0.00 1.63 -3.45 0.00 0.00 179.45 177.21 3din n LYS 473 N -5.10 0.63 -3.05 1.90 4.76 -0.26 -4.85 118.16 112.19 3din n LYS 473 Ca 0.14 0.00 -0.12 0.00 -2.87 0.00 0.00 58.31 55.46 3din n LYS 473 Cb 0.45 -1.32 0.04 0.00 -1.84 0.00 0.00 35.03 32.37 3din n LYS 473 CO 0.00 0.00 0.00 0.41 -1.37 0.00 0.00 177.40 176.44 3din n GLY 474 N 0.21 0.12 3.58 0.72 0.00 0.26 -5.02 105.19 105.05 3din n GLY 474 Ca 0.10 -0.17 -0.35 0.00 0.00 0.00 0.00 46.02 45.60 3din n GLY 474 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 3din s GLN 475 N -5.56 3.88 -0.32 1.61 -0.21 -0.97 -3.76 119.66 114.34 3din s GLN 475 Ca 0.27 -0.38 -0.29 0.00 0.02 0.00 0.00 55.36 54.98 3din s GLN 475 Cb -0.12 -3.25 -0.01 0.00 1.00 0.00 0.00 33.01 30.63 3din s GLN 475 CO 0.40 0.13 1.49 -2.14 -2.12 0.00 0.00 175.29 173.06 3din s PRO 476 N 0.75 3.70 0.37 2.91 0.02 -1.26 -4.30 135.00 137.20 3din s PRO 476 Ca 0.04 1.29 0.08 0.00 0.02 0.00 0.00 61.00 62.43 3din s PRO 476 Cb -0.13 -4.01 -0.03 0.00 0.02 0.00 0.00 34.50 30.34 3din s PRO 476 CO 0.02 -1.41 0.25 0.14 -0.33 0.00 0.00 177.00 175.67 3din s VAL 477 N 5.28 2.93 -0.15 3.83 -7.23 -0.40 -2.28 120.40 122.39 3din s VAL 477 Ca 0.65 -1.52 -0.28 0.00 -1.81 0.00 0.00 61.98 59.03 3din s VAL 477 Cb -0.19 -3.04 0.07 0.00 0.56 0.00 0.00 36.38 33.78 3din s VAL 477 CO 0.29 -0.10 0.69 -0.22 -0.31 0.00 0.00 175.10 175.46 3din s LEU 478 N -3.97 -0.68 0.02 1.32 2.96 -0.81 -1.93 118.68 115.58 3din s LEU 478 Ca 0.42 1.04 0.06 0.00 -0.22 0.00 0.00 54.13 55.43 3din s LEU 478 Cb -0.02 2.50 -0.02 0.00 0.50 0.00 0.00 46.19 49.14 3din s LEU 478 CO 0.25 -0.45 -0.19 0.54 -1.32 0.00 0.00 176.35 175.18 3din s VAL 479 N -0.50 1.51 -0.46 1.68 0.11 -0.70 -0.95 120.40 121.09 3din s VAL 479 Ca -0.06 -1.01 -0.05 0.00 -2.93 0.00 0.00 61.98 57.93 3din s VAL 479 Cb -0.02 -1.30 0.12 0.00 -1.53 0.00 0.00 36.38 33.65 3din s VAL 479 CO 0.06 0.26 0.28 -0.83 -3.33 0.00 0.00 175.10 171.54 3din s GLY 480 N -0.88 2.08 0.59 6.54 0.00 -0.85 -1.89 107.32 112.91 3din s GLY 480 Ca 0.07 -2.65 -0.02 0.00 0.00 0.00 0.00 44.72 42.11 3din s GLY 480 CO 0.01 1.06 0.85 -0.51 0.00 0.00 0.00 173.10 174.51 3din s THR 481 N 1.02 2.89 -0.07 0.90 -4.23 -0.81 -2.22 115.64 113.12 3din s THR 481 Ca 0.09 -0.41 -0.01 0.00 -1.18 0.00 0.00 61.69 60.18 3din s THR 481 Cb -0.23 -3.14 -0.00 0.00 1.34 0.00 0.00 72.50 70.46 3din s THR 481 CO -0.03 -0.12 0.04 0.00 -0.54 0.00 0.00 174.62 173.96 3din h THR 482 N -0.13 0.00 -4.62 3.99 1.03 -1.92 -2.97 112.91 108.29 3din h THR 482 Ca -0.44 -0.73 -0.38 0.00 -0.01 0.00 0.00 66.41 64.85 3din h THR 482 Cb 1.29 0.00 -0.07 0.00 -1.07 0.00 0.00 68.15 68.30 3din h THR 482 CO 0.57 0.00 -0.28 -0.24 -0.01 0.00 0.00 175.52 175.56 3din n SER 483 N -4.09 2.81 -0.05 0.00 2.88 -1.26 -4.67 113.62 109.24 3din n SER 483 Ca -0.00 -2.29 -0.16 0.00 -1.33 0.00 0.00 58.87 55.08 3din n SER 483 Cb 0.01 0.20 -0.06 0.00 -0.75 0.00 0.00 64.21 63.62 3din n SER 483 CO 0.00 0.00 0.00 0.16 -1.23 0.00 0.00 175.04 173.97 3din h ILE 484 N 1.15 1.27 0.00 2.46 -2.65 -1.91 -2.75 117.51 115.08 3din h ILE 484 Ca -0.24 -1.87 0.00 0.00 1.03 0.00 0.00 64.86 63.78 3din h ILE 484 Cb 0.74 1.84 0.00 0.00 -2.05 0.00 0.00 36.82 37.35 3din h ILE 484 CO 0.41 0.60 0.00 1.21 0.03 0.00 0.00 178.15 180.39 3din n GLU 485 N -3.97 0.00 -0.29 0.16 2.13 -1.26 -1.42 120.64 115.99 3din n GLU 485 Ca -0.06 0.51 0.26 0.00 0.66 0.00 0.00 57.16 58.53 3din n GLU 485 Cb 0.70 -1.49 0.60 0.00 0.27 0.00 0.00 31.44 31.51 3din n GLU 485 CO 0.00 0.00 0.00 0.87 -0.41 0.00 0.00 177.13 177.59 3din h LYS 486 N 0.00 0.24 0.07 5.31 1.57 -2.00 0.15 116.57 121.91 3din h LYS 486 Ca 0.00 -0.01 -0.00 0.00 -1.87 0.00 0.00 60.65 58.76 3din h LYS 486 Cb 0.00 -0.05 0.00 0.00 0.08 0.00 0.00 32.23 32.26 3din h LYS 486 CO 0.00 0.16 -0.03 0.66 -0.57 0.00 0.00 179.45 179.67 3din h SER 487 N 0.25 -0.08 0.45 0.86 4.64 -1.28 -1.55 113.55 116.85 3din h SER 487 Ca 0.55 -0.10 -0.01 0.00 -0.47 0.00 0.00 61.79 61.75 3din h SER 487 Cb 1.66 0.02 -0.02 0.00 -0.31 0.00 0.00 62.40 63.75 3din h SER 487 CO -0.17 0.06 -0.47 -0.08 -0.87 0.00 0.00 176.83 175.29 3din h GLU 488 N -0.20 -0.90 -1.05 4.77 4.57 0.49 -1.27 114.58 120.99 3din h GLU 488 Ca -0.01 0.06 0.28 0.00 -1.18 0.00 0.00 59.36 58.51 3din h GLU 488 Cb 0.18 0.20 -0.11 0.00 -0.16 0.00 0.00 28.75 28.86 3din h GLU 488 CO 0.02 -0.60 0.65 -0.07 -1.18 0.00 0.00 179.01 177.83 3din h LEU 489 N -0.93 0.52 0.03 1.64 4.07 -1.40 0.11 115.31 119.35 3din h LEU 489 Ca -0.05 0.11 0.03 0.00 0.08 0.00 0.00 57.88 58.05 3din h LEU 489 Cb 0.82 0.04 -0.05 0.00 1.08 0.00 0.00 40.66 42.55 3din h LEU 489 CO -0.08 0.06 -0.36 0.25 -1.08 0.00 0.00 178.44 177.23 3din h LEU 490 N 0.43 -1.07 0.27 1.67 7.12 -0.17 0.24 115.31 123.80 3din h LEU 490 Ca 0.64 0.13 0.00 0.00 0.13 0.00 0.00 57.88 58.79 3din h LEU 490 Cb 1.50 0.42 -0.03 0.00 -0.53 0.00 0.00 40.66 42.02 3din h LEU 490 CO -0.39 -0.42 -0.32 -1.28 -0.13 0.00 0.00 178.44 175.90 3din h SER 491 N -0.53 -0.88 -1.24 1.25 0.87 -0.43 -0.59 113.55 112.00 3din h SER 491 Ca 0.05 0.08 0.37 0.00 -1.23 0.00 0.00 61.79 61.07 3din h SER 491 Cb 0.60 0.31 -0.10 0.00 -0.44 0.00 0.00 62.40 62.77 3din h SER 491 CO -0.27 -0.44 0.82 0.28 -0.53 0.00 0.00 176.83 176.69 3din h SER 492 N -0.64 0.27 0.42 6.23 0.02 -0.69 0.46 113.55 119.62 3din h SER 492 Ca -0.00 0.09 -0.02 0.00 -0.84 0.00 0.00 61.79 61.02 3din h SER 492 Cb 0.60 0.06 0.00 0.00 0.14 0.00 0.00 62.40 63.21 3din h SER 492 CO -0.09 -0.06 -0.20 -0.03 -1.14 0.00 0.00 176.83 175.31 3din h MET 493 N 0.18 -0.54 -0.21 3.45 -1.53 0.10 0.15 114.93 116.53 3din h MET 493 Ca 0.72 0.04 0.04 0.00 -3.44 0.00 0.00 59.70 57.05 3din h MET 493 Cb 2.23 0.12 -0.01 0.00 -0.55 0.00 0.00 31.60 33.40 3din h MET 493 CO -0.30 -0.28 0.14 -0.07 0.14 0.00 0.00 176.91 176.54 3din h LEU 494 N -0.72 0.09 -0.06 3.39 -0.00 0.35 -1.82 115.31 116.55 3din h LEU 494 Ca -0.06 -0.00 -0.12 0.00 -0.00 0.00 0.00 57.88 57.70 3din h LEU 494 Cb 0.51 -0.02 0.01 0.00 -0.00 0.00 0.00 40.66 41.16 3din h LEU 494 CO 0.09 0.06 -0.42 0.11 -0.00 0.00 0.00 178.44 178.29 3din h LYS 495 N 0.11 0.39 0.00 1.13 1.57 -0.67 0.36 116.57 119.45 3din h LYS 495 Ca 0.09 -0.34 0.00 0.00 -1.87 0.00 0.00 60.65 58.53 3din h LYS 495 Cb 0.24 0.08 0.00 0.00 0.08 0.00 0.00 32.23 32.62 3din h LYS 495 CO -0.01 0.99 0.06 -0.22 -0.57 0.00 0.00 179.45 179.70 3din h LYS 496 N -0.11 0.00 -0.13 3.15 1.63 0.09 0.34 116.57 121.54 3din h LYS 496 Ca -0.04 0.00 0.00 0.00 -0.85 0.00 0.00 60.65 59.76 3din h LYS 496 Cb 1.09 0.00 0.00 0.00 -0.60 0.00 0.00 32.23 32.72 3din h LYS 496 CO 0.09 0.00 0.00 1.63 -3.45 0.00 0.00 179.45 177.72 3din n LYS 497 N -3.03 2.58 -2.85 1.90 5.02 -0.84 -5.05 118.16 115.89 3din n LYS 497 Ca -0.03 -2.10 -0.02 0.00 -2.02 0.00 0.00 58.31 54.14 3din n LYS 497 Cb 0.13 -1.32 0.00 0.00 -0.02 0.00 0.00 35.03 33.82 3din n LYS 497 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 3din n GLY 498 N -0.44 -3.00 3.06 0.72 0.00 0.12 -5.02 105.19 100.63 3din n GLY 498 Ca 0.10 0.50 -0.11 0.00 0.00 0.00 0.00 46.02 46.51 3din n GLY 498 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 3din s ILE 499 N -1.63 -0.52 0.70 -0.61 -1.09 0.10 -4.94 121.20 113.21 3din s ILE 499 Ca 0.04 0.15 -0.16 0.00 -2.23 0.00 0.00 60.65 58.46 3din s ILE 499 Cb -0.01 -0.60 0.02 0.00 -1.58 0.00 0.00 42.46 40.29 3din s ILE 499 CO 0.64 0.04 1.23 -2.16 -1.23 0.00 0.00 174.94 173.45 3din s PRO 500 N 2.50 2.31 0.00 2.79 0.04 -1.26 -4.50 135.00 136.87 3din s PRO 500 Ca 0.03 1.84 0.00 0.00 0.04 0.00 0.00 61.00 62.90 3din s PRO 500 Cb -0.13 -1.84 0.00 0.00 0.04 0.00 0.00 34.50 32.57 3din s PRO 500 CO -0.11 -1.73 0.00 -2.39 0.04 0.00 0.00 177.00 172.81 3din n HIS 501 N -2.43 0.00 -4.52 0.56 1.44 -1.26 -4.47 115.22 104.54 3din n HIS 501 Ca 0.14 0.00 -0.22 0.00 -2.01 0.00 0.00 57.72 55.63 3din n HIS 501 Cb 0.50 0.00 -0.14 0.00 0.12 0.00 0.00 29.99 30.46 3din n HIS 501 CO 0.00 0.00 0.00 1.14 -2.81 0.00 0.00 176.34 174.67 3din s GLN 502 N -2.00 1.08 -0.26 -1.40 -2.07 -1.01 -5.03 119.66 108.97 3din s GLN 502 Ca 0.00 -0.67 0.03 0.00 -1.82 0.00 0.00 55.36 52.90 3din s GLN 502 Cb 0.00 -1.08 0.06 0.00 -1.09 0.00 0.00 33.01 30.90 3din s GLN 502 CO 0.00 0.28 -0.10 0.08 -1.32 0.00 0.00 175.29 174.23 3din s VAL 503 N -0.62 2.17 -0.94 3.63 1.01 -1.26 -2.01 120.40 122.37 3din s VAL 503 Ca 0.04 -1.67 -0.03 0.00 0.00 0.00 0.00 61.98 60.32 3din s VAL 503 Cb -0.07 -2.30 0.25 0.00 0.00 0.00 0.00 36.38 34.26 3din s VAL 503 CO 0.01 -0.06 0.94 0.00 0.00 0.00 0.00 175.10 175.98 3din n LEU 504 N 4.42 4.70 -2.61 3.92 -0.00 -0.95 -4.69 117.00 121.80 3din n LEU 504 Ca -0.13 -5.15 -0.26 0.00 -0.00 0.00 0.00 56.01 50.46 3din n LEU 504 Cb 0.42 -1.16 -0.01 0.00 -0.00 0.00 0.00 43.42 42.67 3din n LEU 504 CO 0.21 1.58 0.16 -0.46 -0.00 0.00 0.00 177.39 178.89 3din n ASN 505 N 2.12 4.50 -0.34 1.45 6.94 -1.26 -3.32 115.26 125.35 3din n ASN 505 Ca 0.23 -3.67 -0.04 0.00 -0.02 0.00 0.00 54.58 51.08 3din n ASN 505 Cb 0.37 -0.49 -0.02 0.00 -2.36 0.00 0.00 39.78 37.28 3din n ASN 505 CO 0.00 0.00 0.00 0.00 -1.03 0.00 0.00 177.26 176.23 3din n ALA 506 N -0.40 -0.07 -0.12 -2.53 0.00 -1.26 -4.91 120.51 111.22 3din n ALA 506 Ca 0.36 0.07 0.00 0.00 0.00 0.00 0.00 53.44 53.87 3din n ALA 506 Cb 0.60 -1.05 0.00 0.00 0.00 0.00 0.00 19.45 19.00 3din n ALA 506 CO 0.00 0.00 0.00 1.63 0.00 0.00 0.00 177.50 179.13 3din n LYS 507 N -1.44 0.00 -4.10 0.00 4.76 -1.26 -4.81 118.16 111.31 3din n LYS 507 Ca -0.04 0.59 -0.12 0.00 -2.87 0.00 0.00 58.31 55.87 3din n LYS 507 Cb 0.32 -1.44 -0.11 0.00 -1.84 0.00 0.00 35.03 31.97 3din n LYS 507 CO 0.00 0.00 0.00 -0.47 -1.37 0.00 0.00 177.40 175.56 3din s TYR 508 N -2.75 0.74 0.03 2.13 6.04 -1.26 -5.02 117.35 117.26 3din s TYR 508 Ca 0.00 -0.62 -0.21 0.00 0.04 0.00 0.00 57.07 56.27 3din s TYR 508 Cb 0.00 -0.44 -0.15 0.00 -1.04 0.00 0.00 41.96 40.33 3din s TYR 508 CO 0.00 -0.10 1.35 0.45 -1.54 0.00 0.00 175.55 175.71 3din h HIS 509 N 4.03 0.32 -1.05 4.97 3.86 -1.99 -2.91 115.15 122.39 3din h HIS 509 Ca -0.36 -0.09 0.28 0.00 -1.16 0.00 0.00 60.37 59.04 3din h HIS 509 Cb 1.19 -0.07 -0.11 0.00 1.06 0.00 0.00 27.41 29.48 3din h HIS 509 CO 0.63 0.65 0.65 1.49 0.86 0.00 0.00 177.93 182.22 3din h GLU 510 N -0.10 0.40 -0.19 2.45 4.81 -2.01 0.47 114.58 120.42 3din h GLU 510 Ca 0.02 -0.02 0.05 0.00 -0.13 0.00 0.00 59.36 59.28 3din h GLU 510 Cb 0.59 -0.09 -0.06 0.00 0.63 0.00 0.00 28.75 29.82 3din h GLU 510 CO 0.02 0.27 -0.19 0.87 -0.73 0.00 0.00 179.01 179.25 3din h LYS 511 N 0.42 -0.21 -0.88 1.92 1.57 -1.93 0.13 116.57 117.59 3din h LYS 511 Ca 0.65 0.01 0.26 0.00 -1.87 0.00 0.00 60.65 59.70 3din h LYS 511 Cb 1.54 0.05 -0.04 0.00 0.08 0.00 0.00 32.23 33.86 3din h LYS 511 CO -0.40 -0.14 0.68 1.49 -0.57 0.00 0.00 179.45 180.51 3din h GLU 512 N -0.21 0.00 0.13 3.15 4.81 -0.10 -1.29 114.58 121.06 3din h GLU 512 Ca 0.12 0.00 -0.01 0.00 -0.13 0.00 0.00 59.36 59.34 3din h GLU 512 Cb 0.39 0.00 0.00 0.00 0.63 0.00 0.00 28.75 29.77 3din h GLU 512 CO -0.31 0.00 -0.06 0.00 -0.73 0.00 0.00 179.01 177.91 3din h ALA 513 N 1.48 -0.38 -0.54 2.92 0.00 -0.61 -2.75 119.26 119.38 3din h ALA 513 Ca 0.42 -0.04 0.07 0.00 0.00 0.00 0.00 54.91 55.36 3din h ALA 513 Cb 1.77 0.07 -0.10 0.00 0.00 0.00 0.00 17.79 19.53 3din h ALA 513 CO -0.00 -0.37 -0.52 0.93 0.00 0.00 0.00 179.25 179.29 3din h GLU 514 N -0.42 -0.28 -0.50 0.00 4.39 -1.06 0.60 114.58 117.31 3din h GLU 514 Ca -0.02 0.02 0.14 0.00 0.34 0.00 0.00 59.36 59.85 3din h GLU 514 Cb 0.13 0.06 -0.02 0.00 -0.10 0.00 0.00 28.75 28.83 3din h GLU 514 CO 0.03 -0.19 0.48 -0.84 -1.16 0.00 0.00 179.01 177.33 3din h ILE 515 N -0.29 0.42 -0.46 3.13 -0.00 -1.40 -0.44 117.51 118.48 3din h ILE 515 Ca 0.12 0.00 0.04 0.00 -0.00 0.00 0.00 64.86 65.02 3din h ILE 515 Cb 0.56 0.63 -0.06 0.00 -0.00 0.00 0.00 36.82 37.95 3din h ILE 515 CO -0.67 0.00 -0.32 0.58 -0.00 0.00 0.00 178.15 177.74 3din h VAL 516 N 0.00 0.00 0.00 0.16 2.07 0.54 0.26 116.25 119.27 3din h VAL 516 Ca 0.24 0.00 0.00 0.00 0.82 0.00 0.00 66.70 67.76 3din h VAL 516 Cb 1.19 0.00 0.00 0.00 -1.52 0.00 0.00 31.29 30.96 3din h VAL 516 CO -0.00 0.00 -1.03 0.00 0.02 0.00 0.00 177.57 176.55 3din n ALA 517 N -3.07 3.14 0.82 1.67 0.00 -1.01 -3.96 120.51 118.09 3din n ALA 517 Ca 0.00 -0.36 0.04 0.00 0.00 0.00 0.00 53.44 53.12 3din n ALA 517 Cb 0.16 -1.01 0.14 0.00 0.00 0.00 0.00 19.45 18.74 3din n ALA 517 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 177.50 178.67 3din n LYS 518 N -2.13 1.94 -3.62 0.00 4.81 -0.21 -4.65 118.16 114.31 3din n LYS 518 Ca 0.01 -1.10 -0.39 0.00 -0.87 0.00 0.00 58.31 55.96 3din n LYS 518 Cb 0.47 -1.41 -0.09 0.00 0.02 0.00 0.00 35.03 34.02 3din n LYS 518 CO 0.00 0.00 0.00 0.00 1.17 0.00 0.00 177.40 178.57 3din s ALA 519 N -1.64 3.43 0.00 3.14 0.00 0.83 -4.61 121.76 122.91 3din s ALA 519 Ca 0.20 -2.75 0.00 0.00 0.00 0.00 0.00 51.96 49.41 3din s ALA 519 Cb 0.12 -2.75 0.00 0.00 0.00 0.00 0.00 23.12 20.49 3din s ALA 519 CO 0.11 -1.95 0.00 0.41 0.00 0.00 0.00 175.76 174.33 3din n GLY 520 N 4.47 0.82 2.68 0.00 0.00 -1.26 -4.83 105.19 107.07 3din n GLY 520 Ca -0.02 -0.63 -0.31 0.00 0.00 0.00 0.00 46.02 45.06 3din n GLY 520 CO 0.00 0.00 0.00 -1.06 0.00 0.00 0.00 173.32 172.26 3din n GLN 521 N -0.08 3.35 -2.31 1.61 1.13 -1.26 -4.11 117.38 115.70 3din n GLN 521 Ca 0.00 -4.71 -0.00 0.00 -1.94 0.00 0.00 57.00 50.34 3din n GLN 521 Cb 0.03 -2.32 -0.00 0.00 0.11 0.00 0.00 30.24 28.06 3din n GLN 521 CO 0.00 0.00 0.00 1.17 -1.44 0.00 0.00 177.06 176.79 3din n LYS 522 N 0.52 -4.96 0.00 -1.09 4.81 -1.26 -4.05 118.16 112.12 3din n LYS 522 Ca 0.31 3.63 0.00 0.00 -0.87 0.00 0.00 58.31 61.38 3din n LYS 522 Cb 0.38 -4.59 0.00 0.00 0.02 0.00 0.00 35.03 30.84 3din n LYS 522 CO 0.00 0.00 0.00 0.41 1.17 0.00 0.00 177.40 178.98 3din n GLY 523 N 1.75 0.86 3.51 3.14 0.00 -1.25 -4.84 105.19 108.37 3din n GLY 523 Ca -0.03 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.59 3din n GLY 523 CO 0.00 0.00 0.00 -0.13 0.00 0.00 0.00 173.32 173.19 3din n MET 524 N -1.66 0.76 -4.10 1.61 0.00 -1.26 -4.52 117.12 107.96 3din n MET 524 Ca 0.00 0.28 -0.32 0.00 0.00 0.00 0.00 57.70 57.66 3din n MET 524 Cb 0.00 -1.74 -0.16 0.00 0.00 0.00 0.00 33.22 31.32 3din n MET 524 CO 0.00 0.00 0.00 0.08 0.00 0.00 0.00 175.97 176.05 3din s VAL 525 N -1.49 1.99 -0.03 1.12 1.01 -1.26 -1.27 120.40 120.47 3din s VAL 525 Ca 0.66 -0.95 0.02 0.00 0.00 0.00 0.00 61.98 61.71 3din s VAL 525 Cb -0.54 -1.83 0.01 0.00 0.00 0.00 0.00 36.38 34.02 3din s VAL 525 CO 0.56 0.48 -0.09 -0.89 0.00 0.00 0.00 175.10 175.16 3din s THR 526 N 1.31 0.81 -0.06 3.92 2.01 -0.81 -2.39 115.64 120.42 3din s THR 526 Ca 0.04 -0.36 0.06 0.00 0.31 0.00 0.00 61.69 61.74 3din s THR 526 Cb -0.13 -0.73 -0.01 0.00 0.01 0.00 0.00 72.50 71.64 3din s THR 526 CO -0.12 0.26 -0.23 -0.51 -0.69 0.00 0.00 174.62 173.32 3din s ILE 527 N 0.30 1.93 0.20 1.82 -1.16 -0.85 -1.72 121.20 121.72 3din s ILE 527 Ca -0.05 -1.00 -0.15 0.00 -0.51 0.00 0.00 60.65 58.94 3din s ILE 527 Cb -0.10 -1.64 0.02 0.00 0.61 0.00 0.00 42.46 41.35 3din s ILE 527 CO 0.01 0.54 0.47 0.00 -2.81 0.00 0.00 174.94 173.15 3din s ALA 528 N -0.11 -0.65 0.36 1.50 0.00 -0.79 -2.23 121.76 119.84 3din s ALA 528 Ca -0.04 -0.46 -0.11 0.00 0.00 0.00 0.00 51.96 51.36 3din s ALA 528 Cb -0.13 0.88 -0.07 0.00 0.00 0.00 0.00 23.12 23.80 3din s ALA 528 CO 0.04 -0.78 0.72 0.99 0.00 0.00 0.00 175.76 176.73 3din s THR 529 N -3.91 4.80 0.59 0.00 2.01 -1.21 -1.93 115.64 115.98 3din s THR 529 Ca 0.13 0.61 0.30 0.00 0.31 0.00 0.00 61.69 63.04 3din s THR 529 Cb -0.00 -3.70 0.41 0.00 0.01 0.00 0.00 72.50 69.22 3din s THR 529 CO -0.00 -0.40 1.73 -0.55 -0.69 0.00 0.00 174.62 174.71 3din h ASN 530 N 1.59 0.00 0.04 3.53 -1.07 -1.79 0.16 115.58 118.04 3din h ASN 530 Ca -0.47 0.00 0.00 0.00 0.07 0.00 0.00 56.30 55.90 3din h ASN 530 Cb 1.18 0.00 0.00 0.00 -2.07 0.00 0.00 38.32 37.43 3din h ASN 530 CO 0.65 0.00 0.00 1.15 0.07 0.00 0.00 177.43 179.30 3din n MET 531 N -3.65 0.21 0.00 4.14 0.00 -1.26 -1.05 117.12 115.50 3din n MET 531 Ca 0.15 0.06 0.00 0.00 0.00 0.00 0.00 57.70 57.91 3din n MET 531 Cb 0.98 -1.50 0.00 0.00 0.00 0.00 0.00 33.22 32.70 3din n MET 531 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 175.97 175.97 3din n ALA 532 N -1.08 0.48 -1.86 3.17 0.00 0.51 -4.80 120.51 116.94 3din n ALA 532 Ca 0.05 -0.06 -0.30 0.00 0.00 0.00 0.00 53.44 53.13 3din n ALA 532 Cb 0.04 0.00 0.04 0.00 0.00 0.00 0.00 19.45 19.52 3din n ALA 532 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3din n GLY 533 N 0.08 6.09 2.59 0.00 0.00 -0.22 -4.89 105.19 108.84 3din n GLY 533 Ca 0.00 -2.55 -0.29 0.00 0.00 0.00 0.00 46.02 43.18 3din n GLY 533 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 3din s ARG 534 N -3.72 0.29 0.11 1.61 0.52 -1.19 -3.57 118.95 113.01 3din s ARG 534 Ca 0.55 -0.57 0.00 0.00 -0.52 0.00 0.00 55.73 55.19 3din s ARG 534 Cb 0.44 -1.42 0.00 0.00 0.52 0.00 0.00 34.95 34.49 3din s ARG 534 CO -0.06 -0.96 0.00 0.41 0.02 0.00 0.00 175.30 174.71 3din n GLY 535 N 5.17 -5.40 3.64 -3.53 0.00 -1.26 -5.08 105.19 98.73 3din n GLY 535 Ca -0.06 -0.13 -0.05 0.00 0.00 0.00 0.00 46.02 45.79 3din n GLY 535 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 3din s THR 536 N -0.51 0.00 0.00 2.61 2.01 -1.26 -5.03 115.64 113.47 3din s THR 536 Ca 0.00 0.00 -0.01 0.00 0.31 0.00 0.00 61.69 61.99 3din s THR 536 Cb 0.00 -1.00 -0.03 0.00 0.01 0.00 0.00 72.50 71.48 3din s THR 536 CO 0.00 0.00 1.51 -0.90 -0.69 0.00 0.00 174.62 174.54 3din n ASP 537 N 2.62 3.40 -4.44 3.53 3.85 -1.26 -4.90 116.55 119.36 3din n ASP 537 Ca -0.14 -1.94 -0.32 0.00 -0.71 0.00 0.00 54.79 51.67 3din n ASP 537 Cb 0.57 -0.76 0.15 0.00 -1.35 0.00 0.00 41.12 39.73 3din n ASP 537 CO 0.00 0.00 0.00 -0.38 -1.01 0.00 0.00 177.20 175.81 3din n ILE 538 N 1.87 0.00 0.00 2.12 -0.00 -1.26 -5.01 119.36 117.08 3din n ILE 538 Ca 0.05 -0.19 0.00 0.00 -0.00 0.00 0.00 62.75 62.61 3din n ILE 538 Cb 0.37 -0.70 0.00 0.00 -0.00 0.00 0.00 39.64 39.31 3din n ILE 538 CO 0.00 0.00 0.00 0.29 -0.00 0.00 0.00 176.55 176.84 3din n LYS 539 N -2.38 0.00 -3.65 0.38 5.02 -1.26 -4.72 118.16 111.55 3din n LYS 539 Ca 0.06 0.00 -0.02 0.00 -2.02 0.00 0.00 58.31 56.33 3din n LYS 539 Cb 0.55 0.00 -0.05 0.00 -0.02 0.00 0.00 35.03 35.50 3din n LYS 539 CO 0.00 0.00 0.00 -0.48 -0.52 0.00 0.00 177.40 176.40 3din s LEU 540 N 0.00 -0.03 0.00 -0.35 0.05 -1.26 -4.93 118.68 112.15 3din s LEU 540 Ca 0.00 0.05 0.00 0.00 0.05 0.00 0.00 54.13 54.23 3din s LEU 540 Cb 0.00 1.07 0.00 0.00 -2.05 0.00 0.00 46.19 45.21 3din s LEU 540 CO 0.00 -0.02 0.00 0.61 -0.55 0.00 0.00 176.35 176.39 3din n GLY 541 N 0.97 -0.32 0.00 -3.48 0.00 -1.26 -5.03 105.19 96.08 3din n GLY 541 Ca -0.04 -0.16 0.00 0.00 0.00 0.00 0.00 46.02 45.82 3din n GLY 541 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 3din n PRO 542 N 0.00 3.54 -0.20 1.61 -0.04 -1.26 -4.55 135.00 134.10 3din n PRO 542 Ca 0.00 0.00 0.22 0.00 -0.04 0.00 0.00 63.50 63.68 3din n PRO 542 Cb 0.00 0.00 0.59 0.00 -0.04 0.00 0.00 33.50 34.05 3din n PRO 542 CO 0.00 0.00 0.00 0.78 -0.04 0.00 0.00 175.50 176.24 3din h GLY 543 N 0.00 0.54 0.00 0.55 0.00 -2.02 -3.41 103.07 98.73 3din h GLY 543 Ca 0.00 -0.12 0.00 0.00 0.00 0.00 0.00 47.33 47.21 3din h GLY 543 CO 0.00 -0.00 0.00 -0.62 0.00 0.00 0.00 176.54 175.92 3din n VAL 544 N -4.43 0.00 0.00 4.60 0.31 -1.26 -1.10 118.33 116.44 3din n VAL 544 Ca 0.18 0.00 0.00 0.00 -0.01 0.00 0.00 64.34 64.51 3din n VAL 544 Cb 0.77 0.00 0.00 0.00 -0.91 0.00 0.00 33.84 33.70 3din n VAL 544 CO 0.00 0.00 0.00 0.00 -1.32 0.00 0.00 176.83 175.51 3din n ALA 545 N 0.47 1.26 -0.17 3.52 0.00 -1.26 -4.12 120.51 120.21 3din n ALA 545 Ca 0.00 0.00 0.10 0.00 0.00 0.00 0.00 53.44 53.54 3din n ALA 545 Cb 0.00 -0.84 0.20 0.00 0.00 0.00 0.00 19.45 18.81 3din n ALA 545 CO 0.00 0.00 0.00 0.39 0.00 0.00 0.00 177.50 177.89 3din n GLU 546 N -0.72 -0.04 -3.68 0.00 4.71 -0.26 -3.15 120.64 117.50 3din n GLU 546 Ca 0.00 0.74 -0.16 0.00 -0.01 0.00 0.00 57.16 57.73 3din n GLU 546 Cb 0.00 -1.22 -0.16 0.00 -1.01 0.00 0.00 31.44 29.05 3din n GLU 546 CO 0.00 0.00 0.00 -0.51 0.09 0.00 0.00 177.13 176.71 3din s LEU 547 N -8.89 0.06 0.00 -4.62 1.43 -1.26 -4.88 118.68 100.53 3din s LEU 547 Ca -0.06 0.31 0.00 0.00 -1.03 0.00 0.00 54.13 53.35 3din s LEU 547 Cb 0.16 0.26 0.00 0.00 0.03 0.00 0.00 46.19 46.64 3din s LEU 547 CO 0.40 -0.23 0.00 0.61 0.23 0.00 0.00 176.35 177.36 3din n GLY 548 N 5.15 1.65 0.63 -3.19 0.00 -1.25 -4.65 105.19 103.51 3din n GLY 548 Ca -0.08 -0.13 0.00 0.00 0.00 0.00 0.00 46.02 45.81 3din n GLY 548 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3din n GLY 549 N 0.00 2.55 3.36 -0.02 0.00 -1.19 -2.47 105.19 107.42 3din n GLY 549 Ca 0.00 -0.55 -0.15 0.00 0.00 0.00 0.00 46.02 45.32 3din n GLY 549 CO 0.00 0.00 0.00 -2.27 0.00 0.00 0.00 173.32 171.05 3din s LEU 550 N 0.00 0.19 -0.05 0.99 0.20 -1.26 -4.16 118.68 114.60 3din s LEU 550 Ca 0.00 0.39 0.04 0.00 0.69 0.00 0.00 54.13 55.24 3din s LEU 550 Cb 0.00 1.81 0.00 0.00 -0.43 0.00 0.00 46.19 47.57 3din s LEU 550 CO 0.00 -0.50 -0.15 0.00 -0.29 0.00 0.00 176.35 175.40 3din s ILE 552 N 0.19 0.91 -0.29 0.00 -1.09 0.57 -1.93 121.20 119.56 3din s ILE 552 Ca -0.06 -0.22 -0.05 0.00 -2.23 0.00 0.00 60.65 58.09 3din s ILE 552 Cb -0.12 -0.96 0.03 0.00 -1.58 0.00 0.00 42.46 39.82 3din s ILE 552 CO 0.03 0.35 0.04 0.27 -1.23 0.00 0.00 174.94 174.39 3din s ILE 553 N 1.75 3.49 -0.01 2.92 -4.36 -0.12 -1.04 121.20 123.83 3din s ILE 553 Ca 0.05 -0.98 -0.21 0.00 -0.26 0.00 0.00 60.65 59.25 3din s ILE 553 Cb -0.13 -2.86 -0.05 0.00 1.25 0.00 0.00 42.46 40.67 3din s ILE 553 CO -0.08 0.02 0.61 -0.83 0.24 0.00 0.00 174.94 174.91 3din s GLY 554 N 1.39 2.62 0.00 6.27 0.00 -0.70 -2.00 107.32 114.91 3din s GLY 554 Ca -0.00 0.05 0.26 0.00 0.00 0.00 0.00 44.72 45.03 3din s GLY 554 CO 0.00 0.80 1.88 2.41 0.00 0.00 0.00 173.10 178.20 3din n THR 555 N 2.81 0.15 -1.97 0.90 -1.04 -0.94 -2.37 114.28 111.81 3din n THR 555 Ca -0.06 0.04 0.00 0.00 -2.04 0.00 0.00 64.05 61.98 3din n THR 555 Cb 0.51 -0.61 0.00 0.00 -1.82 0.00 0.00 70.33 68.41 3din n THR 555 CO 0.00 0.00 0.00 -1.84 -0.64 0.00 0.00 175.07 172.59 3din n GLU 556 N -1.25 -2.80 -3.91 -2.82 0.28 -1.23 -4.79 120.64 104.11 3din n GLU 556 Ca 0.13 0.00 -0.35 0.00 -0.16 0.00 0.00 57.16 56.78 3din n GLU 556 Cb 0.19 0.00 -0.14 0.00 1.43 0.00 0.00 31.44 32.92 3din n GLU 556 CO 0.00 0.00 0.00 1.03 -0.16 0.00 0.00 177.13 178.00 3din s ARG 557 N -1.83 2.67 0.69 3.44 0.52 -1.26 -4.94 118.95 118.24 3din s ARG 557 Ca 0.00 -1.10 -0.09 0.00 -0.52 0.00 0.00 55.73 54.02 3din s ARG 557 Cb 0.00 -3.12 0.13 0.00 0.52 0.00 0.00 34.95 32.48 3din s ARG 557 CO 0.00 -0.51 0.30 0.72 0.02 0.00 0.00 175.30 175.83 3din n HIS 558 N 4.67 -2.08 1.35 -0.53 8.25 -1.26 -4.79 115.22 120.83 3din n HIS 558 Ca -0.15 -0.05 0.00 0.00 -0.26 0.00 0.00 57.72 57.26 3din n HIS 558 Cb 0.45 -0.91 0.00 0.00 1.12 0.00 0.00 29.99 30.65 3din n HIS 558 CO 0.00 0.00 0.00 -0.85 0.64 0.00 0.00 176.34 176.13 3din n GLU 559 N -1.33 0.87 -3.62 -0.41 0.28 -1.26 -4.78 120.64 110.40 3din n GLU 559 Ca 0.05 0.00 -0.15 0.00 -0.16 0.00 0.00 57.16 56.90 3din n GLU 559 Cb 0.21 -1.20 -0.07 0.00 1.43 0.00 0.00 31.44 31.81 3din n GLU 559 CO 0.00 0.00 0.00 -1.12 -0.16 0.00 0.00 177.13 175.85 3din s SER 560 N -0.67 -0.68 0.11 -1.84 0.01 -1.26 -4.05 113.70 105.31 3din s SER 560 Ca 0.00 1.18 -0.22 0.00 1.31 0.00 0.00 55.95 58.22 3din s SER 560 Cb 0.00 1.16 -0.09 0.00 0.21 0.00 0.00 66.02 67.30 3din s SER 560 CO 0.00 -0.32 1.72 -0.09 0.41 0.00 0.00 173.24 174.96 3din h ARG 561 N 4.58 -0.02 0.66 12.44 9.65 -1.89 -1.93 114.38 137.85 3din h ARG 561 Ca -0.28 0.00 -0.03 0.00 -1.10 0.00 0.00 59.98 58.57 3din h ARG 561 Cb 1.16 0.01 0.00 0.00 -1.39 0.00 0.00 29.97 29.75 3din h ARG 561 CO 0.16 -0.02 -0.35 0.00 2.80 0.00 0.00 179.97 182.56 3din h ARG 562 N -0.03 -0.90 -0.76 0.20 3.08 -1.97 -2.27 114.38 111.74 3din h ARG 562 Ca 0.04 0.06 0.17 0.00 0.07 0.00 0.00 59.98 60.33 3din h ARG 562 Cb 0.09 0.20 -0.12 0.00 0.08 0.00 0.00 29.97 30.22 3din h ARG 562 CO -0.09 -0.60 0.10 0.82 -1.07 0.00 0.00 179.97 179.12 3din h ILE 563 N -0.93 0.40 0.01 2.04 2.04 -1.91 0.79 117.51 119.96 3din h ILE 563 Ca -0.09 -0.06 0.03 0.00 1.00 0.00 0.00 64.86 65.75 3din h ILE 563 Cb 0.73 0.22 -0.05 0.00 -0.74 0.00 0.00 36.82 36.98 3din h ILE 563 CO 0.12 0.03 -0.30 -0.78 0.00 0.00 0.00 178.15 177.22 3din h ASP 564 N 0.17 -0.91 -0.92 1.72 -0.00 -1.15 -1.01 116.42 114.33 3din h ASP 564 Ca 0.43 0.12 0.03 0.00 -0.00 0.00 0.00 57.03 57.60 3din h ASP 564 Cb 0.76 0.36 -0.05 0.00 -0.00 0.00 0.00 39.33 40.41 3din h ASP 564 CO -0.60 -0.37 0.61 0.78 -0.00 0.00 0.00 179.24 179.65 3din h ASN 565 N -0.46 1.02 0.45 2.28 2.35 -0.08 -2.85 115.58 118.30 3din h ASN 565 Ca 0.06 -0.02 -0.01 0.00 -0.55 0.00 0.00 56.30 55.78 3din h ASN 565 Cb 0.54 -0.24 -0.02 0.00 0.05 0.00 0.00 38.32 38.65 3din h ASN 565 CO -0.25 0.72 -0.41 1.56 -1.65 0.00 0.00 177.43 177.39 3din h GLN 566 N 1.19 -0.82 -1.09 0.81 4.20 0.17 0.86 115.11 120.43 3din h GLN 566 Ca 0.36 0.06 0.37 0.00 0.06 0.00 0.00 58.65 59.49 3din h GLN 566 Cb -0.05 0.19 -0.14 0.00 0.30 0.00 0.00 27.48 27.78 3din h GLN 566 CO -0.10 -0.55 0.65 1.25 -0.67 0.00 0.00 178.83 179.41 3din h LEU 567 N -0.85 0.40 0.32 1.46 6.46 -1.11 0.27 115.31 122.25 3din h LEU 567 Ca -0.06 0.18 -0.02 0.00 -0.12 0.00 0.00 57.88 57.87 3din h LEU 567 Cb 0.73 0.15 0.00 0.00 -0.73 0.00 0.00 40.66 40.81 3din h LEU 567 CO -0.03 -0.19 -0.15 -0.09 -0.62 0.00 0.00 178.44 177.36 3din h ARG 568 N 0.21 -0.41 0.00 1.25 2.43 -0.94 -3.21 114.38 113.70 3din h ARG 568 Ca 0.77 0.03 0.00 0.00 -0.81 0.00 0.00 59.98 59.97 3din h ARG 568 Cb 2.01 0.09 0.00 0.00 -0.42 0.00 0.00 29.97 31.66 3din h ARG 568 CO -0.56 -0.08 0.38 0.41 -1.51 0.00 0.00 179.97 178.61 3din n GLY 569 N 0.12 -0.37 0.00 2.80 0.00 0.29 -1.65 105.19 106.37 3din n GLY 569 Ca -0.09 0.05 0.01 0.00 0.00 0.00 0.00 46.02 45.99 3din n GLY 569 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3din n ARG 570 N -1.64 0.38 -3.59 1.61 3.00 -0.91 -3.64 116.66 111.88 3din n ARG 570 Ca -0.00 0.00 -0.27 0.00 -0.01 0.00 0.00 57.85 57.56 3din n ARG 570 Cb 0.39 -1.05 -0.10 0.00 0.00 0.00 0.00 32.46 31.70 3din n ARG 570 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.63 177.63 3din n ALA 571 N -0.55 3.64 0.00 7.54 0.00 -0.66 -4.93 120.51 125.54 3din n ALA 571 Ca 0.01 -4.49 0.00 0.00 0.00 0.00 0.00 53.44 48.96 3din n ALA 571 Cb 0.00 -0.94 0.00 0.00 0.00 0.00 0.00 19.45 18.52 3din n ALA 571 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3din n GLY 572 N 1.43 0.04 3.34 0.00 0.00 -1.24 -4.70 105.19 104.06 3din n GLY 572 Ca 0.25 0.52 -0.18 0.00 0.00 0.00 0.00 46.02 46.61 3din n GLY 572 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 3din s ARG 573 N 0.00 1.31 0.00 1.61 1.81 -1.26 -2.96 118.95 119.46 3din s ARG 573 Ca 0.00 -1.60 0.00 0.00 -1.72 0.00 0.00 55.73 52.41 3din s ARG 573 Cb 0.00 -0.99 0.00 0.00 -0.45 0.00 0.00 34.95 33.51 3din s ARG 573 CO 0.00 0.12 0.00 0.94 -0.68 0.00 0.00 175.30 175.68 3din n GLN 574 N -0.38 0.00 0.00 3.54 7.27 -1.26 -2.86 117.38 123.69 3din n GLN 574 Ca -0.08 0.00 0.00 0.00 0.07 0.00 0.00 57.00 56.99 3din n GLN 574 Cb 0.61 -2.07 0.00 0.00 2.41 0.00 0.00 30.24 31.19 3din n GLN 574 CO 0.00 0.00 0.00 0.41 0.07 0.00 0.00 177.06 177.54 3din n GLY 575 N -0.51 0.89 3.56 1.69 0.00 -1.26 -3.80 105.19 105.76 3din n GLY 575 Ca 0.00 -0.00 -0.26 0.00 0.00 0.00 0.00 46.02 45.76 3din n GLY 575 CO 0.00 0.00 0.00 0.51 0.00 0.00 0.00 173.32 173.83 3din s ASP 576 N -0.21 3.81 0.81 1.61 -4.77 -1.14 -5.00 116.67 111.79 3din s ASP 576 Ca 0.00 -1.14 0.00 0.00 -3.30 0.00 0.00 52.55 48.11 3din s ASP 576 Cb 0.00 -0.38 0.00 0.00 -1.09 0.00 0.00 42.92 41.45 3din s ASP 576 CO 0.00 -0.19 0.00 -0.81 0.70 0.00 0.00 175.17 174.87 3din n PRO 577 N -0.81 -0.37 -3.84 2.11 -0.04 -1.26 -4.44 135.00 126.34 3din n PRO 577 Ca -0.05 0.00 0.00 0.00 -0.04 0.00 0.00 63.50 63.41 3din n PRO 577 Cb 0.63 0.00 0.00 0.00 -0.04 0.00 0.00 33.50 34.09 3din n PRO 577 CO 0.00 0.00 0.00 0.41 -0.04 0.00 0.00 175.50 175.87 3din n GLY 578 N 3.28 -2.08 3.09 0.55 0.00 -1.03 -4.48 105.19 104.51 3din n GLY 578 Ca 0.00 -1.23 -0.13 0.00 0.00 0.00 0.00 46.02 44.67 3din n GLY 578 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 3din s GLU 579 N -1.86 0.24 0.08 1.61 2.02 0.27 -2.00 118.70 119.07 3din s GLU 579 Ca 0.00 0.43 0.05 0.00 0.02 0.00 0.00 54.97 55.47 3din s GLU 579 Cb 0.00 0.00 -0.03 0.00 0.10 0.00 0.00 34.13 34.20 3din s GLU 579 CO 0.00 -0.10 -0.15 -1.54 0.02 0.00 0.00 175.26 173.50 3din s SER 580 N 0.70 1.79 -0.24 -0.19 1.04 -1.04 -0.31 113.70 115.45 3din s SER 580 Ca -0.05 -0.65 -0.21 0.00 0.48 0.00 0.00 55.95 55.52 3din s SER 580 Cb -0.06 -0.06 0.06 0.00 0.10 0.00 0.00 66.02 66.06 3din s SER 580 CO -0.04 -0.08 0.62 -0.51 0.98 0.00 0.00 173.24 174.21 3din s ILE 581 N -1.41 -0.00 -0.11 -1.02 1.10 -0.20 -0.85 121.20 118.70 3din s ILE 581 Ca 0.00 0.00 0.01 0.00 -0.51 0.00 0.00 60.65 60.16 3din s ILE 581 Cb -0.09 -0.87 -0.02 0.00 0.15 0.00 0.00 42.46 41.63 3din s ILE 581 CO 0.02 0.00 -0.14 -0.36 -2.11 0.00 0.00 174.94 172.35 3din s PHE 582 N 0.48 2.76 -0.25 3.50 0.40 -1.20 -1.71 117.98 121.96 3din s PHE 582 Ca -0.01 -0.56 -0.04 0.00 -0.60 0.00 0.00 56.93 55.71 3din s PHE 582 Cb -0.05 -1.78 0.00 0.00 0.51 0.00 0.00 43.02 41.70 3din s PHE 582 CO -0.01 -0.14 -0.00 -0.06 0.70 0.00 0.00 175.22 175.71 3din s PHE 583 N 0.11 3.05 0.04 0.36 0.40 -1.00 -1.53 117.98 119.42 3din s PHE 583 Ca -0.07 -1.07 0.09 0.00 -0.60 0.00 0.00 56.93 55.28 3din s PHE 583 Cb -0.15 -2.15 -0.03 0.00 0.51 0.00 0.00 43.02 41.21 3din s PHE 583 CO 0.05 -0.59 -0.24 -0.51 0.70 0.00 0.00 175.22 174.62 3din s LEU 584 N 1.46 2.16 -0.08 -0.37 1.43 -0.96 -3.49 118.68 118.82 3din s LEU 584 Ca 0.03 -0.56 0.05 0.00 -1.03 0.00 0.00 54.13 52.62 3din s LEU 584 Cb -0.16 -1.18 -0.00 0.00 0.03 0.00 0.00 46.19 44.87 3din s LEU 584 CO -0.01 0.23 -0.24 -0.55 0.23 0.00 0.00 176.35 176.00 3din s SER 585 N -1.19 3.06 0.00 2.29 0.15 -1.26 -1.22 113.70 115.54 3din s SER 585 Ca 0.10 -0.54 0.00 0.00 0.70 0.00 0.00 55.95 56.21 3din s SER 585 Cb -0.10 -1.20 0.00 0.00 -1.71 0.00 0.00 66.02 63.02 3din s SER 585 CO 0.02 0.19 0.23 0.18 1.20 0.00 0.00 173.24 175.06 3din n LEU 586 N 3.32 0.07 -0.61 3.45 4.32 -0.85 0.41 117.00 127.09 3din n LEU 586 Ca -0.18 -0.03 0.02 0.00 -0.02 0.00 0.00 56.01 55.79 3din n LEU 586 Cb 0.53 -0.03 0.02 0.00 -1.62 0.00 0.00 43.42 42.31 3din n LEU 586 CO 0.27 0.02 0.26 -0.62 -1.22 0.00 0.00 177.39 176.09 3din n GLU 587 N -0.28 0.17 0.00 3.23 -0.58 -1.26 -4.79 120.64 117.13 3din n GLU 587 Ca 0.00 -1.37 0.00 0.00 -0.42 0.00 0.00 57.16 55.37 3din n GLU 587 Cb 0.02 -0.55 0.00 0.00 -0.57 0.00 0.00 31.44 30.34 3din n GLU 587 CO 0.00 0.00 0.00 -0.25 -0.48 0.00 0.00 177.13 176.40 3din n ASP 588 N -0.09 0.00 0.11 1.62 10.43 0.16 -4.64 116.55 124.13 3din n ASP 588 Ca 0.03 0.00 0.00 0.00 2.57 0.00 0.00 54.79 57.39 3din n ASP 588 Cb 0.76 0.00 0.00 0.00 1.84 0.00 0.00 41.12 43.72 3din n ASP 588 CO 0.00 0.00 0.00 0.47 -1.07 0.00 0.00 177.20 176.60 3din n ASP 589 N 0.00 -1.29 -0.29 -2.24 8.00 -1.26 -4.65 116.55 114.82 3din n ASP 589 Ca 0.00 0.39 0.28 0.00 0.71 0.00 0.00 54.79 56.17 3din n ASP 589 Cb 0.00 1.38 0.52 0.00 -0.02 0.00 0.00 41.12 43.00 3din n ASP 589 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 3din n LEU 590 N -3.02 0.29 -0.06 0.64 -0.00 -1.26 0.20 117.00 113.79 3din n LEU 590 Ca 0.00 1.42 0.01 0.00 -0.00 0.00 0.00 56.01 57.44 3din n LEU 590 Cb 0.00 -0.69 0.01 0.00 -0.00 0.00 0.00 43.42 42.74 3din n LEU 590 CO 0.00 -1.59 0.36 0.00 -0.00 0.00 0.00 177.39 176.16 3din n LEU 591 N -4.91 1.47 0.20 1.47 -0.00 -1.26 -3.66 117.00 110.31 3din n LEU 591 Ca 0.33 -1.36 0.04 0.00 -0.00 0.00 0.00 56.01 55.03 3din n LEU 591 Cb 1.14 -0.01 0.43 0.00 -0.00 0.00 0.00 43.42 44.98 3din n LEU 591 CO 0.02 0.36 0.79 -0.09 -0.00 0.00 0.00 177.39 178.47 3din h ARG 592 N 0.26 0.00 0.00 1.47 2.43 -0.51 -3.21 114.38 114.81 3din h ARG 592 Ca 0.00 0.00 0.00 0.00 -0.81 0.00 0.00 59.98 59.17 3din h ARG 592 Cb 0.22 0.00 0.00 0.00 -0.42 0.00 0.00 29.97 29.77 3din h ARG 592 CO 0.00 0.30 -0.26 -0.89 -1.51 0.00 0.00 179.97 177.61 3din n ILE 593 N -4.07 0.00 -3.85 1.20 5.41 -1.20 -4.79 119.36 112.06 3din n ILE 593 Ca -0.02 -0.14 -0.35 0.00 1.00 0.00 0.00 62.75 63.24 3din n ILE 593 Cb 0.36 0.65 -0.13 0.00 -0.71 0.00 0.00 39.64 39.81 3din n ILE 593 CO 0.00 0.00 0.00 -0.36 0.00 0.00 0.00 176.55 176.19 3din s PHE 594 N -0.81 3.47 0.00 1.39 0.40 -1.24 -4.51 117.98 116.68 3din s PHE 594 Ca 0.00 -2.23 0.00 0.00 -0.60 0.00 0.00 56.93 54.10 3din s PHE 594 Cb 0.00 -2.71 0.00 0.00 0.51 0.00 0.00 43.02 40.82 3din s PHE 594 CO 0.00 -0.90 0.00 0.41 0.70 0.00 0.00 175.22 175.43 3din n GLY 595 N 4.58 0.75 0.37 4.36 0.00 -1.26 -4.02 105.19 109.96 3din n GLY 595 Ca -0.06 0.00 -0.02 0.00 0.00 0.00 0.00 46.02 45.94 3din n GLY 595 CO 0.00 0.00 0.00 0.23 0.00 0.00 0.00 173.32 173.55 3din h SER 596 N 0.00 1.10 0.03 1.61 0.87 -1.78 -1.07 113.55 114.30 3din h SER 596 Ca 0.00 -0.05 -0.01 0.00 -1.23 0.00 0.00 61.79 60.50 3din h SER 596 Cb 0.00 -0.28 -0.00 0.00 -0.44 0.00 0.00 62.40 61.68 3din h SER 596 CO 0.00 0.82 -0.04 -0.33 -0.53 0.00 0.00 176.83 176.75 3din h GLU 597 N 1.28 0.03 0.01 2.24 4.39 -1.92 -0.03 114.58 120.58 3din h GLU 597 Ca 0.34 -0.00 -0.00 0.00 0.34 0.00 0.00 59.36 60.04 3din h GLU 597 Cb -0.10 -0.01 0.00 0.00 -0.10 0.00 0.00 28.75 28.54 3din h GLU 597 CO -0.07 0.08 -0.00 1.96 -1.16 0.00 0.00 179.01 179.82 3din h GLN 598 N 0.03 -0.01 -0.60 2.33 4.20 -1.73 -3.32 115.11 116.02 3din h GLN 598 Ca 0.01 0.00 0.17 0.00 0.06 0.00 0.00 58.65 58.89 3din h GLN 598 Cb 0.10 0.00 -0.02 0.00 0.30 0.00 0.00 27.48 27.85 3din h GLN 598 CO 0.01 -0.01 0.70 0.97 -0.67 0.00 0.00 178.83 179.83 3din h ILE 599 N -0.66 0.22 0.00 2.54 6.09 -1.19 -2.55 117.51 121.96 3din h ILE 599 Ca -0.00 0.00 0.00 0.00 -1.37 0.00 0.00 64.86 63.49 3din h ILE 599 Cb 0.01 0.43 0.00 0.00 0.47 0.00 0.00 36.82 37.73 3din h ILE 599 CO 0.00 0.00 0.00 0.61 -3.07 0.00 0.00 178.15 175.69 3din n GLY 600 N -1.55 -2.76 0.27 8.18 0.00 -0.03 -1.93 105.19 107.36 3din n GLY 600 Ca 0.12 0.10 -0.06 0.00 0.00 0.00 0.00 46.02 46.18 3din n GLY 600 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 3din h LYS 601 N 0.00 0.89 0.00 1.61 1.57 -1.64 -0.28 116.57 118.71 3din h LYS 601 Ca 0.00 -0.08 0.00 0.00 -1.87 0.00 0.00 60.65 58.70 3din h LYS 601 Cb 0.00 -0.19 0.00 0.00 0.08 0.00 0.00 32.23 32.12 3din h LYS 601 CO 0.00 0.63 0.12 0.28 -0.57 0.00 0.00 179.45 179.91 3din n VAL 602 N -4.58 0.89 -0.00 0.50 0.31 -0.98 -1.91 118.33 112.56 3din n VAL 602 Ca 0.05 0.74 -0.02 0.00 -0.01 0.00 0.00 64.34 65.10 3din n VAL 602 Cb 0.06 -1.74 -0.01 0.00 -0.91 0.00 0.00 33.84 31.24 3din n VAL 602 CO 0.00 0.00 0.00 0.80 -1.32 0.00 0.00 176.83 176.31 3din n MET 603 N -2.16 0.11 0.33 5.55 0.00 -0.62 -4.05 117.12 116.29 3din n MET 603 Ca -0.01 0.04 0.16 0.00 -0.00 0.00 0.00 57.70 57.89 3din n MET 603 Cb 0.14 -0.54 0.87 0.00 0.00 0.00 0.00 33.22 33.70 3din n MET 603 CO 0.00 0.00 0.00 -0.91 0.00 0.00 0.00 175.97 175.06 3din h ASN 604 N -0.20 0.00 0.18 6.12 2.35 -1.16 0.70 115.58 123.56 3din h ASN 604 Ca 0.00 0.00 -0.32 0.00 -0.55 0.00 0.00 56.30 55.43 3din h ASN 604 Cb 0.20 0.00 -0.06 0.00 0.05 0.00 0.00 38.32 38.51 3din h ASN 604 CO 0.00 0.00 -2.13 -0.38 -1.65 0.00 0.00 177.43 173.27 3din n ILE 605 N -2.92 1.38 -0.04 2.81 5.41 -0.80 -4.44 119.36 120.75 3din n ILE 605 Ca -0.02 -0.82 -0.15 0.00 1.00 0.00 0.00 62.75 62.76 3din n ILE 605 Cb 0.34 -0.62 -0.13 0.00 -0.71 0.00 0.00 39.64 38.52 3din n ILE 605 CO 0.00 0.00 0.00 0.25 0.00 0.00 0.00 176.55 176.80 3din h LEU 606 N 0.00 0.12 -7.00 1.39 5.85 -0.89 -3.49 115.31 111.29 3din h LEU 606 Ca -0.43 -0.93 0.14 0.00 0.84 0.00 0.00 57.88 57.50 3din h LEU 606 Cb 2.09 -0.04 -0.25 0.00 0.37 0.00 0.00 40.66 42.83 3din h LEU 606 CO 0.04 1.04 0.69 -0.75 -0.34 0.00 0.00 178.44 179.12 3din s LYS 607 N -2.52 0.38 0.00 1.25 2.20 0.22 -5.06 119.74 116.21 3din s LYS 607 Ca -0.17 0.13 0.00 0.00 -0.36 0.00 0.00 55.97 55.57 3din s LYS 607 Cb -0.01 0.18 0.00 0.00 -1.51 0.00 0.00 37.83 36.49 3din s LYS 607 CO 0.72 -0.11 0.00 -0.89 -0.36 0.00 0.00 175.35 174.71 3din n ILE 608 N 0.83 0.00 -2.33 5.43 5.41 -1.26 -4.03 119.36 123.40 3din n ILE 608 Ca -0.07 0.00 -0.43 0.00 1.00 0.00 0.00 62.75 63.25 3din n ILE 608 Cb 0.58 -0.28 -0.02 0.00 -0.71 0.00 0.00 39.64 39.20 3din n ILE 608 CO 0.00 0.00 0.00 -1.83 0.00 0.00 0.00 176.55 174.72 3din s GLU 609 N -1.46 3.85 0.00 0.38 -1.05 -1.26 -4.92 118.70 114.24 3din s GLU 609 Ca 0.00 1.33 0.00 0.00 -0.15 0.00 0.00 54.97 56.15 3din s GLU 609 Cb 0.00 -3.94 0.00 0.00 -0.44 0.00 0.00 34.13 29.75 3din s GLU 609 CO 0.00 -1.21 0.00 -1.91 0.95 0.00 0.00 175.26 173.09 3din n GLU 610 N 7.48 0.00 0.00 -4.83 2.13 -1.26 -5.15 120.64 119.01 3din n GLU 610 Ca 0.16 0.00 0.00 0.00 0.66 0.00 0.00 57.16 57.98 3din n GLU 610 Cb 0.46 0.00 0.00 0.00 0.27 0.00 0.00 31.44 32.17 3din n GLU 610 CO 0.00 0.00 0.00 0.41 -0.41 0.00 0.00 177.13 177.13 3din n GLY 611 N 0.00 0.22 1.18 8.31 0.00 -1.26 -5.10 105.19 108.54 3din n GLY 611 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.02 3din n GLY 611 CO 0.00 0.00 0.00 -1.06 0.00 0.00 0.00 173.32 172.26 3din n GLN 612 N 0.00 0.00 -2.68 1.61 3.00 -1.26 -4.90 117.38 113.15 3din n GLN 612 Ca 0.00 0.00 -0.43 0.00 -0.01 0.00 0.00 57.00 56.56 3din n GLN 612 Cb 0.00 -0.14 -0.02 0.00 0.00 0.00 0.00 30.24 30.08 3din n GLN 612 CO 0.00 0.00 0.00 -1.25 0.00 0.00 0.00 177.06 175.81 3din s PRO 613 N -1.59 4.10 -0.11 -1.09 0.04 -1.26 -3.83 135.00 131.25 3din s PRO 613 Ca 0.00 1.09 -0.25 0.00 0.04 0.00 0.00 61.00 61.88 3din s PRO 613 Cb 0.00 -3.71 0.06 0.00 0.04 0.00 0.00 34.50 30.89 3din s PRO 613 CO 0.00 -0.82 0.61 -1.50 0.04 0.00 0.00 177.00 175.33 3din s ILE 614 N 3.48 0.01 0.00 0.56 2.07 -1.17 -5.02 121.20 121.12 3din s ILE 614 Ca 0.44 -0.07 0.00 0.00 -1.41 0.00 0.00 60.65 59.61 3din s ILE 614 Cb -0.13 -0.90 0.00 0.00 0.13 0.00 0.00 42.46 41.56 3din s ILE 614 CO 0.13 -0.04 0.00 0.00 -1.91 0.00 0.00 174.94 173.12 3din n GLN 615 N 1.63 0.00 -0.12 3.50 10.64 -1.26 -2.83 117.38 128.94 3din n GLN 615 Ca -0.17 0.00 -0.20 0.00 -1.83 0.00 0.00 57.00 54.80 3din n GLN 615 Cb 0.56 0.00 -0.12 0.00 -0.86 0.00 0.00 30.24 29.82 3din n GLN 615 CO 0.00 0.00 0.00 0.72 -1.83 0.00 0.00 177.06 175.95 3din n HIS 616 N 0.00 0.14 -3.58 2.61 -0.00 -1.26 -4.73 115.22 108.41 3din n HIS 616 Ca 0.00 0.03 -0.40 0.00 -0.00 0.00 0.00 57.72 57.35 3din n HIS 616 Cb 0.00 -1.02 -0.07 0.00 -0.00 0.00 0.00 29.99 28.91 3din n HIS 616 CO 0.00 0.00 0.00 -1.25 -0.00 0.00 0.00 176.34 175.09 3din s PRO 617 N -2.52 3.02 0.00 -0.41 0.04 -1.26 -4.80 135.00 129.07 3din s PRO 617 Ca -0.34 -2.62 0.00 0.00 0.04 0.00 0.00 61.00 58.08 3din s PRO 617 Cb 0.09 -4.00 0.00 0.00 0.04 0.00 0.00 34.50 30.64 3din s PRO 617 CO 0.61 -1.22 0.00 -1.33 0.04 0.00 0.00 177.00 175.09 3din n MET 618 N 3.48 -0.72 0.00 4.56 2.81 -1.26 -4.92 117.12 121.07 3din n MET 618 Ca 0.12 0.18 0.00 0.00 -1.81 0.00 0.00 57.70 56.19 3din n MET 618 Cb 0.41 -4.20 0.00 0.00 -0.71 0.00 0.00 33.22 28.72 3din n MET 618 CO 0.00 0.00 0.00 -0.11 1.51 0.00 0.00 175.97 177.37 3din n LEU 619 N 0.00 0.00 0.29 4.03 -0.00 -1.26 0.12 117.00 120.18 3din n LEU 619 Ca 0.00 0.81 0.14 0.00 -0.00 0.00 0.00 56.01 56.95 3din n LEU 619 Cb 0.18 -0.31 0.86 0.00 -0.00 0.00 0.00 43.42 44.16 3din n LEU 619 CO 0.00 -0.31 1.12 0.77 -0.00 0.00 0.00 177.39 178.97 3din h SER 620 N 0.00 0.00 0.57 1.96 4.64 -1.86 -1.89 113.55 116.97 3din h SER 620 Ca 0.00 0.00 -0.03 0.00 -0.47 0.00 0.00 61.79 61.29 3din h SER 620 Cb 0.00 0.00 0.01 0.00 -0.31 0.00 0.00 62.40 62.10 3din h SER 620 CO 0.00 0.00 -0.27 0.11 -0.87 0.00 0.00 176.83 175.80 3din h LYS 621 N 0.00 -0.73 0.57 4.77 1.57 -1.91 -2.69 116.57 118.14 3din h LYS 621 Ca 0.00 0.05 -0.03 0.00 -1.87 0.00 0.00 60.65 58.80 3din h LYS 621 Cb 0.01 0.17 0.00 0.00 0.08 0.00 0.00 32.23 32.48 3din h LYS 621 CO -0.00 -0.44 -0.31 1.25 -0.57 0.00 0.00 179.45 179.38 3din h LEU 622 N -1.10 -0.77 -0.99 2.94 5.85 0.13 -2.75 115.31 118.62 3din h LEU 622 Ca -0.08 0.04 0.37 0.00 0.84 0.00 0.00 57.88 59.05 3din h LEU 622 Cb 0.64 0.22 -0.17 0.00 0.37 0.00 0.00 40.66 41.71 3din h LEU 622 CO 0.13 -0.50 0.45 0.16 -0.34 0.00 0.00 178.44 178.33 3din h ILE 623 N -0.82 0.08 0.08 4.05 3.07 -1.49 0.42 117.51 122.90 3din h ILE 623 Ca -0.08 -0.03 0.01 0.00 1.55 0.00 0.00 64.86 66.32 3din h ILE 623 Cb 0.64 -0.00 -0.05 0.00 -0.27 0.00 0.00 36.82 37.14 3din h ILE 623 CO 0.10 0.01 -0.52 -0.33 -1.05 0.00 0.00 178.15 176.37 3din h GLU 624 N 0.08 -0.68 -0.91 0.16 4.39 -1.18 0.71 114.58 117.15 3din h GLU 624 Ca 0.77 0.05 0.20 0.00 0.34 0.00 0.00 59.36 60.72 3din h GLU 624 Cb 1.91 0.15 -0.07 0.00 -0.10 0.00 0.00 28.75 30.65 3din h GLU 624 CO -0.75 -0.45 0.60 -0.97 -1.16 0.00 0.00 179.01 176.27 3din h ASN 625 N -0.70 0.45 -0.28 1.42 -0.73 -0.05 0.80 115.58 116.49 3din h ASN 625 Ca -0.00 0.05 -0.02 0.00 1.87 0.00 0.00 56.30 58.20 3din h ASN 625 Cb 0.72 -0.04 -0.01 0.00 0.27 0.00 0.00 38.32 39.26 3din h ASN 625 CO -0.30 0.18 0.10 0.40 -0.37 0.00 0.00 177.43 177.44 3din h ILE 626 N 0.45 1.19 0.04 2.57 5.03 -0.36 -1.16 117.51 125.27 3din h ILE 626 Ca 0.48 -0.60 0.01 0.00 -0.12 0.00 0.00 64.86 64.62 3din h ILE 626 Cb 1.12 1.06 -0.02 0.00 -3.03 0.00 0.00 36.82 35.95 3din h ILE 626 CO -0.20 0.20 -0.20 -0.61 -0.68 0.00 0.00 178.15 176.67 3din h GLN 627 N 0.30 -0.26 -0.83 2.37 4.15 0.13 0.14 115.11 121.10 3din h GLN 627 Ca 0.09 0.02 0.19 0.00 0.77 0.00 0.00 58.65 59.72 3din h GLN 627 Cb 0.22 0.06 -0.12 0.00 0.21 0.00 0.00 27.48 27.85 3din h GLN 627 CO -0.00 -0.18 0.29 0.87 -1.93 0.00 0.00 178.83 177.88 3din h LYS 628 N -0.27 0.33 -0.21 1.69 1.79 -1.51 -0.89 116.57 117.50 3din h LYS 628 Ca -0.00 -0.02 0.04 0.00 -2.18 0.00 0.00 60.65 58.49 3din h LYS 628 Cb 0.28 -0.07 -0.07 0.00 -1.58 0.00 0.00 32.23 30.78 3din h LYS 628 CO -0.11 0.22 -0.48 -0.22 -1.08 0.00 0.00 179.45 177.78 3din h LYS 629 N 0.34 -0.47 -0.27 3.15 3.64 0.06 0.14 116.57 123.16 3din h LYS 629 Ca 0.50 0.03 0.06 0.00 -1.27 0.00 0.00 60.65 59.97 3din h LYS 629 Cb 0.90 0.11 -0.07 0.00 -0.41 0.00 0.00 32.23 32.76 3din h LYS 629 CO -0.53 -0.31 -0.19 0.28 -2.27 0.00 0.00 179.45 176.43 3din h VAL 630 N -0.49 0.47 -1.01 2.00 2.07 0.59 0.34 116.25 120.23 3din h VAL 630 Ca 0.07 0.00 0.24 0.00 0.82 0.00 0.00 66.70 67.84 3din h VAL 630 Cb 0.64 0.47 -0.09 0.00 -1.52 0.00 0.00 31.29 30.79 3din h VAL 630 CO -0.46 0.00 0.65 -0.08 0.02 0.00 0.00 177.57 177.70 3din h GLU 631 N -0.18 0.43 -0.33 1.57 4.81 -0.71 0.33 114.58 120.50 3din h GLU 631 Ca 0.15 -0.03 0.04 0.00 -0.13 0.00 0.00 59.36 59.39 3din h GLU 631 Cb 0.40 -0.10 -0.04 0.00 0.63 0.00 0.00 28.75 29.65 3din h GLU 631 CO -0.38 0.28 0.09 0.78 -0.73 0.00 0.00 179.01 179.06 3din h GLY 632 N 0.44 0.40 0.43 1.92 0.00 0.17 0.51 103.07 106.93 3din h GLY 632 Ca 0.56 -0.05 0.05 0.00 0.00 0.00 0.00 47.33 47.90 3din h GLY 632 CO -0.28 0.01 -0.10 -2.22 0.00 0.00 0.00 176.54 173.95 3din h ILE 633 N 0.22 0.66 -0.71 2.60 1.08 -0.01 0.16 117.51 121.51 3din h ILE 633 Ca 0.15 0.00 0.11 0.00 -0.39 0.00 0.00 64.86 64.73 3din h ILE 633 Cb 0.14 0.66 -0.08 0.00 -3.07 0.00 0.00 36.82 34.47 3din h ILE 633 CO -0.17 0.00 0.31 0.78 -0.69 0.00 0.00 178.15 178.37 3din h ASN 634 N -0.07 0.34 -0.50 1.72 2.35 -0.98 0.15 115.58 118.59 3din h ASN 634 Ca 0.12 0.08 0.07 0.00 -0.55 0.00 0.00 56.30 56.03 3din h ASN 634 Cb 0.26 0.04 -0.06 0.00 0.05 0.00 0.00 38.32 38.61 3din h ASN 634 CO -0.28 0.17 0.17 0.15 -1.65 0.00 0.00 177.43 175.99 3din h PHE 635 N 0.50 0.29 0.72 1.19 3.04 0.12 0.35 116.94 123.15 3din h PHE 635 Ca 0.37 0.03 -0.03 0.00 3.98 0.00 0.00 57.97 62.31 3din h PHE 635 Cb 0.48 -0.06 -0.01 0.00 2.56 0.00 0.00 35.95 38.93 3din h PHE 635 CO -0.14 0.08 -0.47 1.03 -2.02 0.00 0.00 178.31 176.79 3din h SER 636 N 0.34 -1.20 -0.23 0.41 0.87 0.19 -2.33 113.55 111.60 3din h SER 636 Ca 0.24 0.07 0.03 0.00 -1.23 0.00 0.00 61.79 60.90 3din h SER 636 Cb 0.27 0.35 -0.01 0.00 -0.44 0.00 0.00 62.40 62.57 3din h SER 636 CO -0.26 -0.71 0.16 -0.29 -0.53 0.00 0.00 176.83 175.20 3din h ILE 637 N -1.12 1.00 -0.99 2.23 6.09 -0.90 0.21 117.51 124.02 3din h ILE 637 Ca -0.10 -0.07 0.17 0.00 -1.37 0.00 0.00 64.86 63.49 3din h ILE 637 Cb 0.91 0.77 -0.10 0.00 0.47 0.00 0.00 36.82 38.88 3din h ILE 637 CO 0.08 0.04 0.62 -0.09 -3.07 0.00 0.00 178.15 175.73 3din h ARG 638 N 0.21 0.78 0.32 2.19 2.43 0.15 -2.56 114.38 117.90 3din h ARG 638 Ca 0.10 -0.05 -0.02 0.00 -0.81 0.00 0.00 59.98 59.20 3din h ARG 638 Cb 0.13 -0.17 0.00 0.00 -0.42 0.00 0.00 29.97 29.51 3din h ARG 638 CO -0.02 0.51 -0.15 -0.22 -1.51 0.00 0.00 179.97 178.58 3din h LYS 639 N 0.80 -0.41 -0.01 0.20 3.64 -0.07 -2.53 116.57 118.19 3din h LYS 639 Ca 0.54 0.03 0.00 0.00 -1.27 0.00 0.00 60.65 59.95 3din h LYS 639 Cb 0.80 0.09 -0.00 0.00 -0.41 0.00 0.00 32.23 32.71 3din h LYS 639 CO -0.32 -0.27 -0.01 2.41 -2.27 0.00 0.00 179.45 178.99 3din n THR 640 N -3.29 -0.01 0.16 1.00 -1.04 -0.97 -0.09 114.28 110.05 3din n THR 640 Ca -0.05 0.65 0.03 0.00 -2.04 0.00 0.00 64.05 62.63 3din n THR 640 Cb 0.17 -0.86 0.24 0.00 -1.82 0.00 0.00 70.33 68.06 3din n THR 640 CO 0.00 0.00 0.00 0.25 -0.64 0.00 0.00 175.07 174.68 3din h LEU 641 N 0.00 0.00 0.92 -4.42 7.12 -1.70 -2.47 115.31 114.76 3din h LEU 641 Ca 0.00 0.00 -0.04 0.00 0.13 0.00 0.00 57.88 57.97 3din h LEU 641 Cb 0.01 0.00 0.01 0.00 -0.53 0.00 0.00 40.66 40.14 3din h LEU 641 CO -0.01 0.48 -0.45 -0.03 -0.13 0.00 0.00 178.44 178.30 3din h MET 642 N 0.00 -1.21 0.18 1.25 4.05 -0.04 0.20 114.93 119.38 3din h MET 642 Ca -0.00 0.08 0.01 0.00 -0.28 0.00 0.00 59.70 59.50 3din h MET 642 Cb 1.03 0.27 -0.02 0.00 -0.80 0.00 0.00 31.60 32.08 3din h MET 642 CO 0.06 -0.80 -0.22 0.93 0.23 0.00 0.00 176.91 177.11 3din h GLU 643 N -1.25 -0.43 0.18 0.39 3.07 -1.07 -2.05 114.58 113.42 3din h GLU 643 Ca -0.13 0.03 0.00 0.00 -0.50 0.00 0.00 59.36 58.77 3din h GLU 643 Cb 0.96 0.10 -0.03 0.00 -0.84 0.00 0.00 28.75 28.94 3din h GLU 643 CO 0.20 -0.29 -0.43 0.52 -1.40 0.00 0.00 179.01 177.61 3din h MET 644 N -0.45 -0.65 -0.39 2.33 2.86 -1.42 -0.85 114.93 116.36 3din h MET 644 Ca 0.01 0.04 0.11 0.00 -2.06 0.00 0.00 59.70 57.80 3din h MET 644 Cb 0.44 0.15 -0.02 0.00 0.06 0.00 0.00 31.60 32.23 3din h MET 644 CO -0.08 -0.43 0.55 0.22 1.06 0.00 0.00 176.91 178.23 3din h ASP 645 N -0.67 0.00 -0.23 1.22 1.82 -0.54 0.33 116.42 118.35 3din h ASP 645 Ca -0.02 0.00 -0.01 0.00 -0.39 0.00 0.00 57.03 56.62 3din h ASP 645 Cb 0.65 0.00 -0.01 0.00 0.68 0.00 0.00 39.33 40.65 3din h ASP 645 CO -0.19 0.00 0.12 0.44 -1.61 0.00 0.00 179.24 178.01 3din h ASP 646 N 0.00 0.29 0.37 2.28 3.32 -0.40 0.40 116.42 122.68 3din h ASP 646 Ca 0.18 -0.10 -0.03 0.00 0.02 0.00 0.00 57.03 57.11 3din h ASP 646 Cb 1.29 -0.07 -0.00 0.00 0.22 0.00 0.00 39.33 40.76 3din h ASP 646 CO -0.00 0.31 -0.12 1.62 -1.72 0.00 0.00 179.24 179.33 3din h VAL 647 N 0.26 0.58 0.00 -1.35 3.04 -0.26 -0.66 116.25 117.85 3din h VAL 647 Ca 0.08 -0.53 -0.15 0.00 -1.01 0.00 0.00 66.70 65.09 3din h VAL 647 Cb 0.08 1.35 -0.02 0.00 -2.01 0.00 0.00 31.29 30.69 3din h VAL 647 CO -0.01 0.12 -0.70 -0.07 -1.01 0.00 0.00 177.57 175.90 3din h LEU 648 N 0.00 0.00 -1.28 3.16 3.38 -0.53 -2.95 115.31 117.09 3din h LEU 648 Ca -0.00 0.00 0.04 0.00 0.09 0.00 0.00 57.88 58.01 3din h LEU 648 Cb 0.34 0.00 -0.04 0.00 0.09 0.00 0.00 40.66 41.04 3din h LEU 648 CO 0.02 0.70 0.51 -0.78 0.09 0.00 0.00 178.44 178.97 3din h ASP 649 N 0.00 0.80 0.61 -0.43 3.58 0.13 0.98 116.42 122.09 3din h ASP 649 Ca -0.01 -0.01 -0.03 0.00 0.42 0.00 0.00 57.03 57.41 3din h ASP 649 Cb 1.27 -0.18 0.01 0.00 1.72 0.00 0.00 39.33 42.15 3din h ASP 649 CO 0.09 0.55 -0.29 0.11 -2.88 0.00 0.00 179.24 176.82 3din h LYS 650 N 0.93 -0.78 -0.15 0.28 1.79 -1.49 -2.30 116.57 114.84 3din h LYS 650 Ca 0.31 0.05 0.04 0.00 -2.18 0.00 0.00 60.65 58.87 3din h LYS 650 Cb 0.07 0.18 -0.07 0.00 -1.58 0.00 0.00 32.23 30.83 3din h LYS 650 CO -0.09 -0.52 -0.50 1.96 -1.08 0.00 0.00 179.45 179.21 3din h GLN 651 N -1.13 -0.52 -0.94 3.15 4.20 -1.36 -0.84 115.11 117.67 3din h GLN 651 Ca -0.08 0.04 0.23 0.00 0.06 0.00 0.00 58.65 58.89 3din h GLN 651 Cb 0.62 0.12 -0.13 0.00 0.30 0.00 0.00 27.48 28.40 3din h GLN 651 CO 0.14 -0.35 0.48 -0.09 -0.67 0.00 0.00 178.83 178.33 3din h ARG 652 N -0.54 0.45 0.10 1.46 2.43 -0.91 -1.73 114.38 115.64 3din h ARG 652 Ca 0.05 -0.03 0.00 0.00 -0.81 0.00 0.00 59.98 59.20 3din h ARG 652 Cb 0.66 -0.10 -0.01 0.00 -0.42 0.00 0.00 29.97 30.10 3din h ARG 652 CO -0.44 0.30 -0.19 -0.09 -1.51 0.00 0.00 179.97 178.04 3din h ARG 653 N 0.47 -0.31 -1.04 0.20 9.65 -0.55 -1.27 114.38 121.53 3din h ARG 653 Ca 0.60 0.02 0.27 0.00 -1.10 0.00 0.00 59.98 59.77 3din h ARG 653 Cb 1.14 0.07 -0.08 0.00 -1.39 0.00 0.00 29.97 29.71 3din h ARG 653 CO -0.51 -0.20 0.68 0.00 2.80 0.00 0.00 179.97 182.74 3din h ALA 654 N -1.28 2.35 -3.00 2.80 0.00 -1.02 -2.35 119.26 116.75 3din h ALA 654 Ca -0.01 0.04 0.00 0.00 0.00 0.00 0.00 54.91 54.94 3din h ALA 654 Cb 0.30 0.03 0.00 0.00 0.00 0.00 0.00 17.79 18.12 3din h ALA 654 CO -0.07 -0.73 0.00 0.28 0.00 0.00 0.00 179.25 178.73 3din n VAL 655 N -4.56 0.00 1.91 0.00 0.31 -0.49 -2.06 118.33 113.43 3din n VAL 655 Ca 0.25 0.65 0.06 0.00 -0.01 0.00 0.00 64.34 65.28 3din n VAL 655 Cb 0.91 -1.43 0.35 0.00 -0.91 0.00 0.00 33.84 32.75 3din n VAL 655 CO 0.00 0.00 0.00 0.00 -1.32 0.00 0.00 176.83 175.51 3din n TYR 656 N -0.21 0.00 0.07 3.52 0.18 -1.12 -1.33 117.16 118.27 3din n TYR 656 Ca 0.00 0.00 -0.04 0.00 1.88 0.00 0.00 57.90 59.74 3din n TYR 656 Cb 0.00 0.00 -0.08 0.00 -0.38 0.00 0.00 39.34 38.88 3din n TYR 656 CO 0.00 0.00 0.00 0.77 -2.08 0.00 0.00 176.86 175.55 3din h SER 657 N 0.00 0.00 0.46 9.48 0.02 -1.45 0.67 113.55 122.73 3din h SER 657 Ca 0.00 0.00 -0.30 0.00 -0.84 0.00 0.00 61.79 60.65 3din h SER 657 Cb 0.00 0.00 0.02 0.00 0.14 0.00 0.00 62.40 62.56 3din h SER 657 CO 0.00 0.84 -1.35 0.25 -1.14 0.00 0.00 176.83 175.43 3din h LEU 658 N 0.00 0.62 -1.44 5.07 6.46 -0.62 -2.06 115.31 123.34 3din h LEU 658 Ca -0.04 -0.66 -0.04 0.00 -0.12 0.00 0.00 57.88 57.02 3din h LEU 658 Cb 1.67 -0.20 -0.01 0.00 -0.73 0.00 0.00 40.66 41.39 3din h LEU 658 CO 0.10 1.52 -0.21 -0.09 -0.62 0.00 0.00 178.44 179.14 3din h ARG 659 N 0.11 0.00 0.41 1.25 2.43 -1.24 -2.14 114.38 115.20 3din h ARG 659 Ca -0.19 0.00 -0.02 0.00 -0.81 0.00 0.00 59.98 58.96 3din h ARG 659 Cb 2.06 0.00 0.00 0.00 -0.42 0.00 0.00 29.97 31.61 3din h ARG 659 CO 0.24 0.21 -0.20 -0.44 -1.51 0.00 0.00 179.97 178.27 3din h ASP 660 N 0.00 -0.47 -0.62 -3.80 3.32 -0.71 -2.55 116.42 111.59 3din h ASP 660 Ca -0.00 0.02 0.18 0.00 0.02 0.00 0.00 57.03 57.24 3din h ASP 660 Cb 0.59 0.12 -0.02 0.00 0.22 0.00 0.00 39.33 40.23 3din h ASP 660 CO 0.03 -0.12 0.52 1.56 -1.72 0.00 0.00 179.24 179.50 3din h GLN 661 N -0.97 0.00 0.07 3.56 4.20 -1.26 0.18 115.11 120.89 3din h GLN 661 Ca -0.06 0.00 -0.24 0.00 0.06 0.00 0.00 58.65 58.41 3din h GLN 661 Cb 0.42 0.00 -0.01 0.00 0.30 0.00 0.00 27.48 28.20 3din h GLN 661 CO 0.09 0.00 -1.11 -0.84 -0.67 0.00 0.00 178.83 176.31 3din h ILE 662 N 0.00 1.54 -0.46 2.54 3.07 -1.42 -1.86 117.51 120.91 3din h ILE 662 Ca 0.29 -3.02 -0.12 0.00 1.55 0.00 0.00 64.86 63.57 3din h ILE 662 Cb 1.33 2.81 -0.02 0.00 -0.27 0.00 0.00 36.82 40.67 3din h ILE 662 CO -0.00 0.88 -0.18 0.25 -1.05 0.00 0.00 178.15 178.05 3din h LEU 663 N 0.08 0.91 0.18 0.16 5.85 -0.25 -3.34 115.31 118.89 3din h LEU 663 Ca -0.09 -0.32 -0.01 0.00 0.84 0.00 0.00 57.88 58.30 3din h LEU 663 Cb 1.82 -0.25 0.00 0.00 0.37 0.00 0.00 40.66 42.60 3din h LEU 663 CO 0.17 1.07 -0.08 -0.07 -0.34 0.00 0.00 178.44 179.19 3din h LEU 664 N 0.79 -0.20 0.00 2.25 3.38 -1.24 -3.48 115.31 116.82 3din h LEU 664 Ca 0.11 0.01 -0.00 0.00 0.09 0.00 0.00 57.88 58.09 3din h LEU 664 Cb 0.72 0.05 0.00 0.00 0.09 0.00 0.00 40.66 41.52 3din h LEU 664 CO 0.05 0.03 -0.00 -0.62 0.09 0.00 0.00 178.44 177.99 3din n GLU 665 N -3.60 -0.88 0.00 1.13 -0.58 -0.70 -5.08 120.64 110.92 3din n GLU 665 Ca -0.03 -0.02 0.00 0.00 -0.42 0.00 0.00 57.16 56.69 3din n GLU 665 Cb 0.09 -0.02 0.00 0.00 -0.57 0.00 0.00 31.44 30.94 3din n GLU 665 CO 0.00 0.00 0.00 1.63 -0.48 0.00 0.00 177.13 178.28 3din n LYS 666 N -1.45 0.00 -2.34 3.49 5.02 -1.26 -4.96 118.16 116.65 3din n LYS 666 Ca 0.00 0.00 -0.37 0.00 -2.02 0.00 0.00 58.31 55.92 3din n LYS 666 Cb 0.01 0.00 -0.02 0.00 -0.02 0.00 0.00 35.03 34.99 3din n LYS 666 CO 0.00 0.00 0.00 -0.25 -0.52 0.00 0.00 177.40 176.63 3din n ASP 667 N 0.00 4.16 -0.13 4.39 8.00 -1.26 -4.67 116.55 127.04 3din n ASP 667 Ca 0.00 -2.83 0.04 0.00 0.71 0.00 0.00 54.79 52.71 3din n ASP 667 Cb 0.00 -1.74 0.21 0.00 -0.02 0.00 0.00 41.12 39.57 3din n ASP 667 CO 0.00 0.00 0.00 -1.22 -0.39 0.00 0.00 177.20 175.59 3din n TYR 668 N 10.65 0.08 0.00 1.24 4.01 -1.26 -4.58 117.16 127.30 3din n TYR 668 Ca 0.47 -0.04 0.00 0.00 -0.16 0.00 0.00 57.90 58.18 3din n TYR 668 Cb 0.46 0.00 0.00 0.00 -0.31 0.00 0.00 39.34 39.49 3din n TYR 668 CO 0.00 0.00 0.00 -0.25 -0.46 0.00 0.00 176.86 176.15 3din n ASP 669 N -0.39 0.00 -0.38 7.72 10.43 -1.26 -0.29 116.55 132.39 3din n ASP 669 Ca 0.07 0.25 0.38 0.00 2.57 0.00 0.00 54.79 58.06 3din n ASP 669 Cb 0.08 0.00 0.74 0.00 1.84 0.00 0.00 41.12 43.78 3din n ASP 669 CO 0.00 0.00 0.00 -0.33 -1.07 0.00 0.00 177.20 175.80 3din h GLU 670 N 0.00 0.00 0.31 -1.24 5.08 -2.00 -1.64 114.58 115.08 3din h GLU 670 Ca 0.00 0.00 -0.02 0.00 -1.00 0.00 0.00 59.36 58.34 3din h GLU 670 Cb 0.00 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.25 3din h GLU 670 CO 0.00 0.00 -0.15 1.88 -1.00 0.00 0.00 179.01 179.74 3din h TYR 671 N 0.00 -0.38 -0.23 4.33 -1.99 -0.97 -2.39 116.97 115.33 3din h TYR 671 Ca 0.63 -0.01 0.06 0.00 2.00 0.00 0.00 58.73 61.41 3din h TYR 671 Cb 2.64 0.13 -0.07 0.00 2.00 0.00 0.00 36.73 41.43 3din h TYR 671 CO 0.00 -0.21 -0.25 1.37 -0.00 0.00 0.00 178.16 179.07 3din h LEU 672 N -1.10 -0.80 0.15 3.88 8.10 -0.10 0.15 115.31 125.59 3din h LEU 672 Ca -0.04 0.14 -0.00 0.00 0.11 0.00 0.00 57.88 58.09 3din h LEU 672 Cb 0.34 0.37 -0.01 0.00 -0.44 0.00 0.00 40.66 40.92 3din h LEU 672 CO 0.07 -0.29 -0.21 0.11 -4.11 0.00 0.00 178.44 174.01 3din h LYS 673 N -0.27 -0.36 0.00 0.17 1.57 -1.54 0.13 116.57 116.27 3din h LYS 673 Ca 0.13 0.02 0.00 0.00 -1.87 0.00 0.00 60.65 58.94 3din h LYS 673 Cb 0.47 0.08 0.00 0.00 0.08 0.00 0.00 32.23 32.86 3din h LYS 673 CO -0.38 -0.24 0.00 -3.47 -0.57 0.00 0.00 179.45 174.79 3din n ASP 674 N -3.61 0.00 -0.19 0.86 4.64 -0.90 0.00 116.55 117.35 3din n ASP 674 Ca -0.04 0.82 0.21 0.00 -1.38 0.00 0.00 54.79 54.40 3din n ASP 674 Cb 0.18 -0.37 0.59 0.00 -1.04 0.00 0.00 41.12 40.48 3din n ASP 674 CO 0.00 0.00 0.00 0.40 -0.82 0.00 0.00 177.20 176.78 3din h ILE 675 N 0.00 0.66 -0.17 5.18 5.03 -0.97 0.30 117.51 127.54 3din h ILE 675 Ca 0.00 -0.09 -0.01 0.00 -0.12 0.00 0.00 64.86 64.64 3din h ILE 675 Cb 0.00 0.38 -0.01 0.00 -3.03 0.00 0.00 36.82 34.16 3din h ILE 675 CO 0.00 0.05 0.05 0.15 -0.68 0.00 0.00 178.15 177.71 3din h PHE 676 N 0.26 0.27 0.45 1.37 3.57 0.24 -1.83 116.94 121.28 3din h PHE 676 Ca 0.43 -0.03 -0.02 0.00 3.53 0.00 0.00 57.97 61.88 3din h PHE 676 Cb 1.28 -0.08 0.00 0.00 2.79 0.00 0.00 35.95 39.94 3din h PHE 676 CO -0.00 0.38 -0.22 1.49 -2.23 0.00 0.00 178.31 177.73 3din h GLU 677 N 0.09 -0.59 -1.38 1.11 4.57 0.23 0.10 114.58 118.71 3din h GLU 677 Ca 0.05 0.04 0.42 0.00 -1.18 0.00 0.00 59.36 58.69 3din h GLU 677 Cb 0.24 0.13 -0.10 0.00 -0.16 0.00 0.00 28.75 28.86 3din h GLU 677 CO -0.00 -0.39 0.93 -0.44 -1.18 0.00 0.00 179.01 177.93 3din h ASP 678 N -0.91 0.19 0.01 1.04 5.19 -0.64 2.81 116.42 124.11 3din h ASP 678 Ca -0.06 0.08 -0.11 0.00 -0.62 0.00 0.00 57.03 56.32 3din h ASP 678 Cb 0.47 0.06 0.01 0.00 0.18 0.00 0.00 39.33 40.05 3din h ASP 678 CO 0.10 -0.08 -0.42 0.58 -3.12 0.00 0.00 179.24 176.30 3din h VAL 679 N 0.10 1.51 0.00 -1.35 2.07 -1.25 -2.24 116.25 115.09 3din h VAL 679 Ca 0.77 -2.08 -0.09 0.00 0.82 0.00 0.00 66.70 66.12 3din h VAL 679 Cb 2.59 2.79 -0.01 0.00 -1.52 0.00 0.00 31.29 35.14 3din h VAL 679 CO -0.25 0.58 -0.43 0.58 0.02 0.00 0.00 177.57 178.07 3din h VAL 680 N -0.37 0.78 0.10 2.57 2.07 0.29 -2.57 116.25 119.12 3din h VAL 680 Ca -0.06 -1.95 -0.15 0.00 0.82 0.00 0.00 66.70 65.36 3din h VAL 680 Cb 1.18 2.28 0.02 0.00 -1.52 0.00 0.00 31.29 33.25 3din h VAL 680 CO 0.08 0.42 -0.64 0.77 0.02 0.00 0.00 177.57 178.22 3din h SER 681 N 0.00 0.39 0.24 0.57 4.64 0.45 -2.37 113.55 117.48 3din h SER 681 Ca -0.00 -0.94 -0.03 0.00 -0.47 0.00 0.00 61.79 60.35 3din h SER 681 Cb 1.24 -0.13 -0.00 0.00 -0.31 0.00 0.00 62.40 63.20 3din h SER 681 CO 0.06 1.29 -0.12 0.71 -0.87 0.00 0.00 176.83 177.90 3din h THR 682 N -0.45 0.76 -0.72 2.95 1.35 -1.48 0.38 112.91 115.70 3din h THR 682 Ca -0.11 -0.49 -0.06 0.00 -0.55 0.00 0.00 66.41 65.21 3din h THR 682 Cb 1.48 1.29 -0.03 0.00 -1.73 0.00 0.00 68.15 69.16 3din h THR 682 CO 0.12 0.12 0.22 -0.09 -0.25 0.00 0.00 175.52 175.65 3din h ARG 683 N 0.00 1.12 0.00 4.72 1.12 -1.34 0.43 114.38 120.42 3din h ARG 683 Ca -0.00 -0.24 0.00 0.00 -1.11 0.00 0.00 59.98 58.63 3din h ARG 683 Cb 0.28 -0.16 0.00 0.00 -0.01 0.00 0.00 29.97 30.08 3din h ARG 683 CO 0.02 0.96 0.00 0.28 -3.11 0.00 0.00 179.97 178.11 3din n VAL 684 N -4.25 0.00 -2.72 0.20 0.31 0.12 -3.28 118.33 108.71 3din n VAL 684 Ca 0.06 0.00 -0.05 0.00 -0.01 0.00 0.00 64.34 64.34 3din n VAL 684 Cb 0.23 -0.62 0.07 0.00 -0.91 0.00 0.00 33.84 32.60 3din n VAL 684 CO 0.00 0.00 0.00 1.21 -1.32 0.00 0.00 176.83 176.72 3din n GLU 685 N -1.00 1.34 0.03 5.55 4.07 0.87 -3.99 120.64 127.50 3din n GLU 685 Ca 0.18 -2.78 0.00 0.00 -0.06 0.00 0.00 57.16 54.50 3din n GLU 685 Cb 0.08 -0.89 0.00 0.00 -0.06 0.00 0.00 31.44 30.57 3din n GLU 685 CO 0.00 0.00 0.00 -1.91 -0.06 0.00 0.00 177.13 175.16 3din n GLU 686 N -0.50 0.00 -0.07 5.31 4.07 0.11 -4.86 120.64 124.70 3din n GLU 686 Ca 0.03 0.00 0.09 0.00 -0.06 0.00 0.00 57.16 57.22 3din n GLU 686 Cb 0.83 -0.12 0.13 0.00 -0.06 0.00 0.00 31.44 32.21 3din n GLU 686 CO 0.00 0.00 0.00 0.34 -0.06 0.00 0.00 177.13 177.41 3din n PHE 687 N -2.80 0.00 -3.15 4.31 -0.00 -1.25 -4.91 117.46 109.65 3din n PHE 687 Ca 0.00 -0.94 0.04 0.00 -0.00 0.00 0.00 57.45 56.55 3din n PHE 687 Cb 0.10 -0.14 -0.00 0.00 -0.00 0.00 0.00 39.48 39.44 3din n PHE 687 CO 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 176.76 176.76 3din n SER 689 N 5.36 2.55 -2.36 0.00 7.64 -1.26 -3.70 113.62 121.86 3din n SER 689 Ca 0.04 1.18 -0.08 0.00 1.01 0.00 0.00 58.87 61.03 3din n SER 689 Cb 0.54 -1.44 -0.08 0.00 -1.01 0.00 0.00 64.21 62.23 3din n SER 689 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 3din n GLY 690 N 1.33 2.15 0.00 0.23 0.00 -1.26 -3.71 105.19 103.93 3din n GLY 690 Ca 0.08 -0.64 0.00 0.00 0.00 0.00 0.00 46.02 45.46 3din n GLY 690 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 3din n LYS 691 N 2.93 0.00 0.00 1.61 4.76 -1.26 -4.93 118.16 121.27 3din n LYS 691 Ca 0.24 0.00 0.00 0.00 -2.87 0.00 0.00 58.31 55.68 3din n LYS 691 Cb 0.43 0.00 0.00 0.00 -1.84 0.00 0.00 35.03 33.62 3din n LYS 691 CO 0.00 0.00 0.00 0.09 -1.37 0.00 0.00 177.40 176.12 3din n ASN 692 N 0.00 0.00 0.13 4.39 5.03 -1.26 -4.82 115.26 118.73 3din n ASN 692 Ca 0.00 0.00 0.11 0.00 0.87 0.00 0.00 54.58 55.56 3din n ASN 692 Cb 0.00 0.00 0.61 0.00 -1.02 0.00 0.00 39.78 39.37 3din n ASN 692 CO 0.00 0.00 0.00 -0.25 -1.83 0.00 0.00 177.26 175.18 3din h TRP 693 N 0.00 0.12 0.20 3.10 2.91 -1.97 -0.39 115.95 119.91 3din h TRP 693 Ca 0.00 0.00 0.01 0.00 1.13 0.00 0.00 58.89 60.04 3din h TRP 693 Cb 0.00 -0.04 -0.04 0.00 -0.51 0.00 0.00 29.16 28.57 3din h TRP 693 CO 0.00 0.07 -0.41 0.22 -1.03 0.00 0.00 178.44 177.29 3din h ASP 694 N 0.12 -1.17 0.07 2.65 -0.00 -1.91 -1.51 116.42 114.66 3din h ASP 694 Ca 0.11 0.12 -0.00 0.00 -0.00 0.00 0.00 57.03 57.26 3din h ASP 694 Cb 0.28 0.43 0.00 0.00 -0.00 0.00 0.00 39.33 40.04 3din h ASP 694 CO -0.01 -0.50 -0.03 0.16 -0.00 0.00 0.00 179.24 178.85 3din h ILE 695 N -0.69 1.13 -1.16 2.25 3.07 -1.54 -2.63 117.51 117.94 3din h ILE 695 Ca 0.01 -1.50 0.35 0.00 1.55 0.00 0.00 64.86 65.27 3din h ILE 695 Cb 0.69 1.99 -0.12 0.00 -0.27 0.00 0.00 36.82 39.11 3din h ILE 695 CO -0.19 0.33 0.73 -0.08 -1.05 0.00 0.00 178.15 177.89 3din h GLU 696 N -0.87 0.23 0.01 0.16 4.22 -1.12 0.88 114.58 118.09 3din h GLU 696 Ca -0.01 -0.01 -0.00 0.00 0.08 0.00 0.00 59.36 59.42 3din h GLU 696 Cb 0.61 -0.05 0.00 0.00 0.50 0.00 0.00 28.75 29.81 3din h GLU 696 CO 0.02 0.15 -0.00 1.03 -2.18 0.00 0.00 179.01 178.02 3din h SER 697 N 0.24 -0.01 -1.00 1.04 0.87 -1.34 -2.75 113.55 110.60 3din h SER 697 Ca 0.72 0.00 0.02 0.00 -1.23 0.00 0.00 61.79 61.30 3din h SER 697 Cb 2.02 0.00 -0.05 0.00 -0.44 0.00 0.00 62.40 63.93 3din h SER 697 CO -0.42 0.21 0.66 -0.07 -0.53 0.00 0.00 176.83 176.69 3din h LEU 698 N -0.45 1.13 -1.44 2.23 4.07 -1.17 -0.29 115.31 119.39 3din h LEU 698 Ca -0.00 -0.03 -0.04 0.00 0.08 0.00 0.00 57.88 57.89 3din h LEU 698 Cb 0.01 -0.28 -0.01 0.00 1.08 0.00 0.00 40.66 41.47 3din h LEU 698 CO 0.00 0.81 -0.20 0.50 -1.08 0.00 0.00 178.44 178.47 3din h LYS 699 N 1.33 0.00 -0.00 1.13 3.64 0.60 -2.49 116.57 120.79 3din h LYS 699 Ca 0.37 0.00 0.00 0.00 -1.27 0.00 0.00 60.65 59.75 3din h LYS 699 Cb -0.12 0.00 -0.00 0.00 -0.41 0.00 0.00 32.23 31.69 3din h LYS 699 CO -0.09 0.20 -0.01 -0.97 -2.27 0.00 0.00 179.45 176.31 3din h ASN 700 N 0.00 -0.03 0.13 4.20 -0.73 -0.73 0.81 115.58 119.24 3din h ASN 700 Ca -0.00 0.01 -0.02 0.00 1.87 0.00 0.00 56.30 58.16 3din h ASN 700 Cb 0.58 0.02 -0.00 0.00 0.27 0.00 0.00 38.32 39.19 3din h ASN 700 CO 0.03 -0.02 -0.08 0.28 -0.37 0.00 0.00 177.43 177.27 3din h SER 701 N -0.02 0.00 1.69 1.15 0.02 -1.29 0.24 113.55 115.34 3din h SER 701 Ca 0.01 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 60.96 3din h SER 701 Cb 0.03 0.00 0.00 0.00 0.14 0.00 0.00 62.40 62.57 3din h SER 701 CO -0.01 0.08 0.00 0.25 -1.14 0.00 0.00 176.83 176.01 3din h LEU 702 N 0.00 0.00 -5.89 5.07 5.85 -0.47 -3.35 115.31 116.52 3din h LEU 702 Ca -0.00 0.00 -0.55 0.00 0.84 0.00 0.00 57.88 58.17 3din h LEU 702 Cb 0.17 0.00 -0.41 0.00 0.37 0.00 0.00 40.66 40.79 3din h LEU 702 CO 0.01 0.00 -0.92 -1.54 -0.34 0.00 0.00 178.44 175.65 3din n SER 703 N -2.74 2.07 -4.35 1.25 3.41 0.26 -5.02 113.62 108.50 3din n SER 703 Ca 0.04 -3.16 -0.46 0.00 -0.26 0.00 0.00 58.87 55.03 3din n SER 703 Cb 0.47 -0.62 -0.01 0.00 -0.26 0.00 0.00 64.21 63.78 3din n SER 703 CO 0.00 0.00 0.00 0.12 -0.16 0.00 0.00 175.04 175.00 3din s PHE 704 N -2.32 3.97 0.08 7.33 5.36 -1.04 -4.83 117.98 126.54 3din s PHE 704 Ca 0.41 -2.31 0.05 0.00 -0.96 0.00 0.00 56.93 54.11 3din s PHE 704 Cb 0.24 -3.87 -0.03 0.00 -0.34 0.00 0.00 43.02 39.02 3din s PHE 704 CO -0.09 -1.01 -0.14 -0.06 -1.46 0.00 0.00 175.22 172.46 3din s PHE 705 N -0.35 1.21 0.39 10.12 0.08 -1.26 -5.02 117.98 123.14 3din s PHE 705 Ca 0.26 -0.48 0.30 0.00 0.12 0.00 0.00 56.93 57.13 3din s PHE 705 Cb -0.09 -0.68 1.51 0.00 -0.57 0.00 0.00 43.02 43.18 3din s PHE 705 CO -0.08 0.06 2.08 -1.00 -0.10 0.00 0.00 175.22 176.17 3din h PRO 706 N 4.19 0.00 -6.91 0.24 0.13 -2.03 -3.44 132.00 124.18 3din h PRO 706 Ca -0.40 0.00 -0.41 0.00 -0.87 0.00 0.00 66.00 64.32 3din h PRO 706 Cb 1.19 0.00 0.22 0.00 0.13 0.00 0.00 31.00 32.54 3din h PRO 706 CO 0.42 0.10 -0.30 0.00 -0.23 0.00 0.00 178.00 177.98 3din n ALA 707 N -2.24 -3.63 -3.76 -0.56 0.00 -1.26 -5.03 120.51 104.03 3din n ALA 707 Ca -0.02 -1.40 -0.27 0.00 0.00 0.00 0.00 53.44 51.76 3din n ALA 707 Cb 0.24 -1.73 -0.17 0.00 0.00 0.00 0.00 19.45 17.79 3din n ALA 707 CO 0.00 0.00 0.00 0.20 0.00 0.00 0.00 177.50 177.70 3din s GLY 708 N -2.38 0.72 -0.35 0.00 0.00 -1.26 -5.04 107.32 99.01 3din s GLY 708 Ca 0.64 -0.65 0.02 0.00 0.00 0.00 0.00 44.72 44.73 3din s GLY 708 CO 0.62 1.32 0.36 0.48 0.00 0.00 0.00 173.10 175.89 3din s LEU 709 N 1.84 -0.19 -1.21 0.66 0.05 -1.26 -4.92 118.68 113.66 3din s LEU 709 Ca -0.00 -1.28 0.00 0.00 0.05 0.00 0.00 54.13 52.90 3din s LEU 709 Cb -0.16 0.62 0.00 0.00 -2.05 0.00 0.00 46.19 44.60 3din s LEU 709 CO -0.07 -0.30 0.00 0.49 -0.55 0.00 0.00 176.35 175.92 3din n PHE 710 N 4.59 -1.21 0.20 3.48 3.72 -1.26 -4.89 117.46 122.09 3din n PHE 710 Ca 0.07 0.00 -0.10 0.00 -0.05 0.00 0.00 57.45 57.37 3din n PHE 710 Cb 0.46 -2.90 -0.05 0.00 -0.94 0.00 0.00 39.48 36.05 3din n PHE 710 CO 0.00 0.00 0.00 0.38 -0.05 0.00 0.00 176.76 177.09 3din h ASP 711 N 0.00 -0.64 -0.58 4.37 2.03 -1.96 -2.92 116.42 116.72 3din h ASP 711 Ca -0.32 0.04 -0.37 0.00 -0.73 0.00 0.00 57.03 55.65 3din h ASP 711 Cb 1.19 0.19 -0.17 0.00 -0.83 0.00 0.00 39.33 39.71 3din h ASP 711 CO 0.39 -0.37 0.48 0.18 -1.03 0.00 0.00 179.24 178.88 3din n LEU 712 N -3.86 6.35 -4.12 0.15 4.77 -1.26 -4.76 117.00 114.27 3din n LEU 712 Ca -0.07 -3.31 -0.37 0.00 -0.03 0.00 0.00 56.01 52.23 3din n LEU 712 Cb 0.25 -0.96 -0.10 0.00 -2.33 0.00 0.00 43.42 40.28 3din n LEU 712 CO 0.16 1.17 -0.01 -0.62 -1.33 0.00 0.00 177.39 176.76 3din s ASP 713 N -0.23 5.32 0.00 -1.43 3.68 -1.10 -5.07 116.67 117.83 3din s ASP 713 Ca 0.36 -2.56 0.00 0.00 2.13 0.00 0.00 52.55 52.49 3din s ASP 713 Cb 0.29 -1.87 0.00 0.00 -1.45 0.00 0.00 42.92 39.89 3din s ASP 713 CO 0.01 -0.45 0.00 -1.84 0.13 0.00 0.00 175.17 173.02 3din n GLU 714 N 3.90 2.89 -3.14 4.34 0.28 -1.26 -4.90 120.64 122.76 3din n GLU 714 Ca 0.04 0.00 -0.03 0.00 -0.16 0.00 0.00 57.16 57.01 3din n GLU 714 Cb 0.39 0.00 0.00 0.00 1.43 0.00 0.00 31.44 33.26 3din n GLU 714 CO 0.00 0.00 0.00 1.63 -0.16 0.00 0.00 177.13 178.60 3din n LYS 715 N 0.00 -1.40 -3.69 3.44 4.76 -1.26 -5.05 118.16 114.96 3din n LYS 715 Ca 0.00 1.45 -0.10 0.00 -2.87 0.00 0.00 58.31 56.78 3din n LYS 715 Cb 0.00 -5.34 -0.11 0.00 -1.84 0.00 0.00 35.03 27.74 3din n LYS 715 CO 0.00 0.00 0.00 -0.65 -1.37 0.00 0.00 177.40 175.38 3din s GLN 716 N -3.20 0.37 0.00 1.97 -1.52 -1.26 -5.02 119.66 110.99 3din s GLN 716 Ca 0.01 0.82 0.00 0.00 -1.95 0.00 0.00 55.36 54.24 3din s GLN 716 Cb -0.00 0.02 0.00 0.00 -0.22 0.00 0.00 33.01 32.81 3din s GLN 716 CO 0.77 -0.18 0.39 1.19 -0.25 0.00 0.00 175.29 177.22 3din n PHE 717 N 4.46 0.00 -2.59 0.91 3.01 -1.26 -4.88 117.46 117.11 3din n PHE 717 Ca -0.21 -0.02 -0.43 0.00 1.01 0.00 0.00 57.45 57.80 3din n PHE 717 Cb 0.54 -0.00 0.00 0.00 -0.01 0.00 0.00 39.48 40.01 3din n PHE 717 CO 0.00 0.00 0.00 -1.13 1.01 0.00 0.00 176.76 176.64 3din n SER 718 N -0.02 5.04 -2.79 4.37 3.41 -1.26 -4.77 113.62 117.60 3din n SER 718 Ca 0.00 -3.01 -0.21 0.00 -0.26 0.00 0.00 58.87 55.39 3din n SER 718 Cb 0.08 -1.56 -0.01 0.00 -0.26 0.00 0.00 64.21 62.46 3din n SER 718 CO 0.00 0.00 0.00 -1.54 -0.16 0.00 0.00 175.04 173.34 3din n SER 719 N 5.34 3.04 -1.31 4.04 3.41 -1.26 -4.30 113.62 122.57 3din n SER 719 Ca 0.40 -3.32 -0.04 0.00 -0.26 0.00 0.00 58.87 55.66 3din n SER 719 Cb 0.40 -0.54 0.02 0.00 -0.26 0.00 0.00 64.21 63.84 3din n SER 719 CO 0.00 0.00 0.00 -1.54 -0.16 0.00 0.00 175.04 173.34 3din n SER 720 N -0.16 3.99 0.00 4.04 3.41 -1.26 -4.81 113.62 118.83 3din n SER 720 Ca 0.27 -2.34 0.00 0.00 -0.26 0.00 0.00 58.87 56.54 3din n SER 720 Cb 0.63 -0.74 0.00 0.00 -0.26 0.00 0.00 64.21 63.84 3din n SER 720 CO 0.00 0.00 0.00 -0.62 -0.16 0.00 0.00 175.04 174.26 3din n GLU 721 N 0.60 0.00 -0.01 4.33 1.02 -1.26 -4.53 120.64 120.80 3din n GLU 721 Ca 0.08 0.00 -0.11 0.00 -0.02 0.00 0.00 57.16 57.10 3din n GLU 721 Cb 0.61 -0.44 -0.09 0.00 -0.02 0.00 0.00 31.44 31.49 3din n GLU 721 CO 0.00 0.00 0.00 0.93 1.18 0.00 0.00 177.13 179.24 3din h GLU 722 N 0.00 -0.08 0.60 3.49 5.08 -1.96 -2.17 114.58 119.53 3din h GLU 722 Ca 0.00 0.01 -0.03 0.00 -1.00 0.00 0.00 59.36 58.34 3din h GLU 722 Cb 0.00 0.02 -0.01 0.00 0.50 0.00 0.00 28.75 29.26 3din h GLU 722 CO 0.00 0.50 -0.41 -0.07 -1.00 0.00 0.00 179.01 178.04 3din h LEU 723 N -0.84 -1.05 -0.72 1.33 3.38 -1.85 -2.00 115.31 113.56 3din h LEU 723 Ca -0.01 0.06 0.14 0.00 0.09 0.00 0.00 57.88 58.17 3din h LEU 723 Cb 0.63 0.31 -0.10 0.00 0.09 0.00 0.00 40.66 41.59 3din h LEU 723 CO 0.01 -0.60 0.24 0.45 0.09 0.00 0.00 178.44 178.63 3din h HIS 724 N -0.96 0.40 -0.08 1.13 3.86 -1.75 -2.17 115.15 115.58 3din h HIS 724 Ca -0.08 0.04 0.02 0.00 -1.16 0.00 0.00 60.37 59.19 3din h HIS 724 Cb 0.78 -0.07 -0.02 0.00 1.06 0.00 0.00 27.41 29.16 3din h HIS 724 CO -0.10 0.01 -0.04 -0.44 0.86 0.00 0.00 177.93 178.22 3din h ASP 725 N 0.37 -0.14 -0.24 2.45 5.19 -1.18 -2.71 116.42 120.15 3din h ASP 725 Ca 0.40 0.03 -0.04 0.00 -0.62 0.00 0.00 57.03 56.80 3din h ASP 725 Cb 0.63 0.08 -0.02 0.00 0.18 0.00 0.00 39.33 40.20 3din h ASP 725 CO -0.43 -0.06 0.04 1.88 -3.12 0.00 0.00 179.24 177.54 3din h TYR 726 N -0.04 0.52 0.43 4.55 0.99 -0.91 -0.69 116.97 121.82 3din h TYR 726 Ca 0.05 -0.04 -0.01 0.00 2.00 0.00 0.00 58.73 60.73 3din h TYR 726 Cb 0.11 -0.15 -0.02 0.00 1.00 0.00 0.00 36.73 37.67 3din h TYR 726 CO -0.16 0.49 -0.45 -0.07 -0.00 0.00 0.00 178.16 177.97 3din h LEU 727 N 0.49 -1.25 -0.65 3.88 3.38 -1.08 -2.00 115.31 118.08 3din h LEU 727 Ca 0.11 0.10 -0.14 0.00 0.09 0.00 0.00 57.88 58.04 3din h LEU 727 Cb 0.27 0.42 -0.02 0.00 0.09 0.00 0.00 40.66 41.41 3din h LEU 727 CO 0.00 -0.59 -0.66 -0.26 0.09 0.00 0.00 178.44 177.02 3din h PHE 728 N -0.89 0.09 -0.84 1.13 -1.00 -1.53 -3.13 116.94 110.77 3din h PHE 728 Ca -0.05 -0.04 0.06 0.00 2.81 0.00 0.00 57.97 60.75 3din h PHE 728 Cb 0.78 -0.01 -0.06 0.00 3.61 0.00 0.00 35.95 40.26 3din h PHE 728 CO -0.25 0.71 0.52 -0.91 -1.61 0.00 0.00 178.31 176.77 3din h ASN 729 N 0.05 0.80 0.43 2.17 2.35 -0.96 -2.11 115.58 118.30 3din h ASN 729 Ca -0.01 0.02 -0.20 0.00 -0.55 0.00 0.00 56.30 55.56 3din h ASN 729 Cb 1.17 -0.15 -0.00 0.00 0.05 0.00 0.00 38.32 39.39 3din h ASN 729 CO 0.09 0.51 -0.87 0.03 -1.65 0.00 0.00 177.43 175.54 3din h ARG 730 N 0.93 0.31 -0.74 0.81 3.08 -1.38 0.06 114.38 117.45 3din h ARG 730 Ca 0.37 -0.32 0.12 0.00 0.07 0.00 0.00 59.98 60.22 3din h ARG 730 Cb 0.19 0.09 -0.05 0.00 0.08 0.00 0.00 29.97 30.28 3din h ARG 730 CO -0.18 1.01 0.49 -0.07 -1.07 0.00 0.00 179.97 180.15 3din h LEU 731 N 0.18 0.48 0.00 3.04 3.38 -1.36 -1.19 115.31 119.85 3din h LEU 731 Ca -0.05 0.02 0.00 0.00 0.09 0.00 0.00 57.88 57.94 3din h LEU 731 Cb 1.49 -0.08 0.00 0.00 0.09 0.00 0.00 40.66 42.16 3din h LEU 731 CO 0.14 0.27 0.00 0.79 0.09 0.00 0.00 178.44 179.73 3din n TRP 732 N -4.49 0.00 -0.31 1.13 7.02 -0.85 -2.75 117.44 117.20 3din n TRP 732 Ca 0.13 0.00 0.10 0.00 -1.02 0.00 0.00 57.50 56.71 3din n TRP 732 Cb 0.43 0.00 0.21 0.00 -2.42 0.00 0.00 31.31 29.53 3din n TRP 732 CO 0.00 0.00 0.00 -1.91 -2.02 0.00 0.00 177.69 173.76 3din n GLU 733 N -0.33 -0.07 0.31 -0.99 2.13 -0.02 0.20 120.64 121.87 3din n GLU 733 Ca 0.00 1.33 -0.12 0.00 0.66 0.00 0.00 57.16 59.03 3din n GLU 733 Cb 0.00 -2.07 -0.06 0.00 0.27 0.00 0.00 31.44 29.58 3din n GLU 733 CO 0.00 0.00 0.00 0.93 -0.41 0.00 0.00 177.13 177.65 3din h GLU 734 N 0.00 -0.78 0.00 5.31 4.39 -1.41 -2.08 114.58 120.00 3din h GLU 734 Ca 0.49 0.05 0.00 0.00 0.34 0.00 0.00 59.36 60.24 3din h GLU 734 Cb 0.92 0.18 0.00 0.00 -0.10 0.00 0.00 28.75 29.75 3din h GLU 734 CO -0.85 -0.52 0.00 0.98 -1.16 0.00 0.00 179.01 177.46 3din n TYR 735 N -4.83 0.06 0.03 4.33 9.36 -0.22 -0.47 117.16 125.42 3din n TYR 735 Ca -0.10 0.03 -0.02 0.00 3.32 0.00 0.00 57.90 61.13 3din n TYR 735 Cb 0.32 -0.54 -0.01 0.00 -0.63 0.00 0.00 39.34 38.48 3din n TYR 735 CO 0.00 0.00 0.00 0.37 0.22 0.00 0.00 176.86 177.45 3din h GLN 736 N 0.00 -0.11 -0.11 2.98 -0.00 0.27 -1.59 115.11 116.55 3din h GLN 736 Ca 0.00 0.01 -0.04 0.00 -0.00 0.00 0.00 58.65 58.62 3din h GLN 736 Cb 0.05 0.03 -0.01 0.00 0.00 0.00 0.00 27.48 27.55 3din h GLN 736 CO 0.00 -0.08 -0.10 0.00 0.00 0.00 0.00 178.83 178.65 3din h ARG 737 N -0.36 0.16 -0.05 1.69 3.08 -1.10 0.75 114.38 118.54 3din h ARG 737 Ca -0.01 -0.03 -0.04 0.00 0.07 0.00 0.00 59.98 59.97 3din h ARG 737 Cb 0.09 -0.03 -0.01 0.00 0.08 0.00 0.00 29.97 30.11 3din h ARG 737 CO 0.02 0.28 -0.15 -0.22 -1.07 0.00 0.00 179.97 178.83 3din h LYS 738 N 0.16 0.08 0.00 0.04 1.63 -0.88 0.18 116.57 117.78 3din h LYS 738 Ca 0.03 -0.02 0.00 0.00 -0.85 0.00 0.00 60.65 59.82 3din h LYS 738 Cb 0.29 -0.01 0.00 0.00 -0.60 0.00 0.00 32.23 31.91 3din h LYS 738 CO 0.02 0.23 -0.75 1.17 -3.45 0.00 0.00 179.45 176.66 3din n LYS 739 N -4.32 0.11 0.07 1.90 3.00 0.47 -3.41 118.16 115.98 3din n LYS 739 Ca -0.02 0.01 0.09 0.00 -0.00 0.00 0.00 58.31 58.39 3din n LYS 739 Cb 0.24 -1.54 0.39 0.00 0.00 0.00 0.00 35.03 34.12 3din n LYS 739 CO 0.00 0.00 0.00 0.94 0.00 0.00 0.00 177.40 178.34 3din n GLN 740 N -1.70 0.10 -0.05 1.64 0.00 0.23 -2.89 117.38 114.71 3din n GLN 740 Ca 0.04 0.36 0.24 0.00 -0.00 0.00 0.00 57.00 57.64 3din n GLN 740 Cb 0.37 -1.70 0.57 0.00 0.00 0.00 0.00 30.24 29.49 3din n GLN 740 CO 0.00 0.00 0.00 1.05 0.00 0.00 0.00 177.06 178.11 3din h GLU 741 N 0.00 0.00 -0.18 3.69 4.11 -1.52 -2.11 114.58 118.57 3din h GLU 741 Ca 0.00 0.00 0.05 0.00 0.07 0.00 0.00 59.36 59.48 3din h GLU 741 Cb 0.28 0.00 -0.07 0.00 0.50 0.00 0.00 28.75 29.46 3din h GLU 741 CO 0.00 0.00 -0.35 0.82 0.07 0.00 0.00 179.01 179.55 3din h ILE 742 N 0.00 0.23 0.00 -1.06 5.03 -1.84 -3.48 117.51 116.40 3din h ILE 742 Ca 0.34 0.00 0.00 0.00 -0.12 0.00 0.00 64.86 65.08 3din h ILE 742 Cb 2.06 0.23 0.00 0.00 -3.03 0.00 0.00 36.82 36.08 3din h ILE 742 CO -0.00 0.00 0.00 0.61 -0.68 0.00 0.00 178.15 178.08 3din n GLY 743 N -1.42 3.23 0.53 5.37 0.00 -0.79 -4.93 105.19 107.18 3din n GLY 743 Ca -0.03 -1.07 0.36 0.00 0.00 0.00 0.00 46.02 45.28 3din n GLY 743 CO 0.00 0.00 0.00 0.83 0.00 0.00 0.00 173.32 174.15 3din h GLU 744 N 0.00 0.07 -0.20 1.61 4.39 -1.93 0.64 114.58 119.16 3din h GLU 744 Ca 0.00 -0.00 0.06 0.00 0.34 0.00 0.00 59.36 59.75 3din h GLU 744 Cb 0.00 -0.02 -0.01 0.00 -0.10 0.00 0.00 28.75 28.63 3din h GLU 744 CO 0.00 0.05 0.30 -0.44 -1.16 0.00 0.00 179.01 177.76 3din h ASP 745 N 0.07 0.00 -0.31 1.42 3.32 -1.96 -1.68 116.42 117.28 3din h ASP 745 Ca 0.64 0.00 0.09 0.00 0.02 0.00 0.00 57.03 57.79 3din h ASP 745 Cb 2.38 0.00 -0.01 0.00 0.22 0.00 0.00 39.33 41.91 3din h ASP 745 CO -0.09 0.00 0.59 0.22 -1.72 0.00 0.00 179.24 178.24 3din h TYR 746 N 0.00 0.00 -0.23 4.55 5.03 -0.07 -1.77 116.97 124.48 3din h TYR 746 Ca 0.10 0.00 0.05 0.00 2.58 0.00 0.00 58.73 61.46 3din h TYR 746 Cb 0.70 0.00 -0.05 0.00 1.55 0.00 0.00 36.73 38.93 3din h TYR 746 CO 0.00 0.00 -0.10 -0.09 -1.32 0.00 0.00 178.16 176.65 3din h ARG 747 N 0.00 -0.06 0.00 1.82 2.43 -1.52 -1.59 114.38 115.46 3din h ARG 747 Ca 0.15 0.00 0.00 0.00 -0.81 0.00 0.00 59.98 59.32 3din h ARG 747 Cb 1.33 0.01 0.00 0.00 -0.42 0.00 0.00 29.97 30.90 3din h ARG 747 CO -0.00 -0.04 0.00 1.63 -1.51 0.00 0.00 179.97 180.05 3din n LYS 748 N -5.26 0.71 0.22 0.20 5.02 -0.67 -3.60 118.16 114.79 3din n LYS 748 Ca -0.01 0.00 -0.12 0.00 -2.02 0.00 0.00 58.31 56.16 3din n LYS 748 Cb 0.18 -1.46 -0.06 0.00 -0.02 0.00 0.00 35.03 33.67 3din n LYS 748 CO 0.00 0.00 0.00 0.28 -0.52 0.00 0.00 177.40 177.16 3din h VAL 749 N 0.00 0.26 -0.31 -0.18 2.07 -1.41 -2.48 116.25 114.19 3din h VAL 749 Ca 0.00 -0.55 0.09 0.00 0.82 0.00 0.00 66.70 67.06 3din h VAL 749 Cb 0.00 0.39 -0.01 0.00 -1.52 0.00 0.00 31.29 30.15 3din h VAL 749 CO 0.00 0.05 0.39 0.16 0.02 0.00 0.00 177.57 178.19 3din h ILE 750 N -1.06 0.33 0.00 4.57 3.07 -1.70 -0.67 117.51 122.05 3din h ILE 750 Ca -0.06 0.00 0.00 0.00 1.55 0.00 0.00 64.86 66.35 3din h ILE 750 Cb 0.56 0.68 0.00 0.00 -0.27 0.00 0.00 36.82 37.79 3din h ILE 750 CO 0.10 0.00 0.00 -1.14 -1.05 0.00 0.00 178.15 176.06 3din n ARG 751 N -3.61 0.00 -0.11 0.16 3.00 -0.96 0.17 116.66 115.31 3din n ARG 751 Ca 0.05 0.56 -0.10 0.00 -0.00 0.00 0.00 57.85 58.36 3din n ARG 751 Cb 0.54 -1.49 -0.04 0.00 0.00 0.00 0.00 32.46 31.47 3din n ARG 751 CO 0.00 0.00 0.00 0.74 0.00 0.00 0.00 177.63 178.37 3din h PHE 752 N 0.00 -1.19 0.00 -0.14 0.05 -0.96 -2.47 116.94 112.23 3din h PHE 752 Ca 0.00 0.07 0.00 0.00 3.82 0.00 0.00 57.97 61.86 3din h PHE 752 Cb 0.00 0.57 0.00 0.00 2.00 0.00 0.00 35.95 38.52 3din h PHE 752 CO 0.06 -0.43 0.00 1.28 -0.18 0.00 0.00 178.31 179.04 3din n LEU 753 N -5.42 0.00 0.00 1.54 7.99 -0.36 -1.19 117.00 119.56 3din n LEU 753 Ca -0.01 0.53 0.00 0.00 -0.01 0.00 0.00 56.01 56.52 3din n LEU 753 Cb 0.35 -0.03 0.00 0.00 -0.11 0.00 0.00 43.42 43.63 3din n LEU 753 CO 0.05 -0.03 0.28 0.23 -1.51 0.00 0.00 177.39 176.42 3din n MET 754 N -0.88 0.00 0.00 3.23 2.81 0.46 0.66 117.12 123.40 3din n MET 754 Ca 0.00 0.57 0.00 0.00 -1.81 0.00 0.00 57.70 56.46 3din n MET 754 Cb 0.00 -0.91 0.00 0.00 -0.71 0.00 0.00 33.22 31.60 3din n MET 754 CO 0.00 0.00 0.00 1.28 1.51 0.00 0.00 175.97 178.76 3din n LEU 755 N -2.09 0.00 -0.22 4.03 4.32 -0.94 1.00 117.00 123.10 3din n LEU 755 Ca 0.00 0.94 -0.11 0.00 -0.02 0.00 0.00 56.01 56.82 3din n LEU 755 Cb 0.00 -0.44 -0.07 0.00 -1.62 0.00 0.00 43.42 41.29 3din n LEU 755 CO 0.00 -0.44 0.53 0.03 -1.22 0.00 0.00 177.39 176.29 3din h ARG 756 N 0.00 -0.24 -0.23 3.23 3.08 -0.90 1.38 114.38 120.70 3din h ARG 756 Ca 0.00 0.02 0.06 0.00 0.07 0.00 0.00 59.98 60.12 3din h ARG 756 Cb 0.00 0.06 -0.06 0.00 0.08 0.00 0.00 29.97 30.04 3din h ARG 756 CO 0.00 -0.16 -0.19 0.82 -1.07 0.00 0.00 179.97 179.37 3din h ILE 757 N -0.25 0.49 0.57 2.04 1.08 0.41 1.03 117.51 122.88 3din h ILE 757 Ca 0.14 0.00 -0.03 0.00 -0.39 0.00 0.00 64.86 64.58 3din h ILE 757 Cb 0.55 0.49 0.01 0.00 -3.07 0.00 0.00 36.82 34.80 3din h ILE 757 CO -0.70 0.00 -0.28 0.40 -0.69 0.00 0.00 178.15 176.88 3din h ILE 758 N -0.19 0.42 -0.45 -0.67 2.04 0.18 -0.26 117.51 118.59 3din h ILE 758 Ca 0.13 -0.11 0.08 0.00 1.00 0.00 0.00 64.86 65.97 3din h ILE 758 Cb 0.39 0.46 -0.10 0.00 -0.74 0.00 0.00 36.82 36.84 3din h ILE 758 CO -0.34 0.02 -0.33 -0.78 0.00 0.00 0.00 178.15 176.71 3din h ASP 759 N -0.84 -1.12 -0.02 1.72 1.82 0.21 -0.87 116.42 117.32 3din h ASP 759 Ca -0.08 0.20 0.01 0.00 -0.39 0.00 0.00 57.03 56.77 3din h ASP 759 Cb 0.62 0.53 -0.02 0.00 0.68 0.00 0.00 39.33 41.14 3din h ASP 759 CO 0.13 -0.32 -0.18 -0.78 -1.61 0.00 0.00 179.24 176.48 3din h ASP 760 N -0.23 -0.56 -0.61 2.28 3.58 0.13 -0.73 116.42 120.26 3din h ASP 760 Ca 0.18 0.07 0.06 0.00 0.42 0.00 0.00 57.03 57.76 3din h ASP 760 Cb 0.54 0.22 -0.09 0.00 1.72 0.00 0.00 39.33 41.72 3din h ASP 760 CO -0.57 -0.17 -0.53 0.45 -2.88 0.00 0.00 179.24 175.54 3din h HIS 761 N -0.21 -1.66 -0.04 0.28 3.86 -0.55 0.31 115.15 117.14 3din h HIS 761 Ca 0.01 0.10 0.01 0.00 -1.16 0.00 0.00 60.37 59.32 3din h HIS 761 Cb 0.23 0.80 -0.02 0.00 1.06 0.00 0.00 27.41 29.48 3din h HIS 761 CO -0.45 -0.41 -0.21 2.35 0.86 0.00 0.00 177.93 180.07 3din h TRP 762 N -0.21 -0.62 -1.02 2.45 -0.00 -0.97 0.14 115.95 115.72 3din h TRP 762 Ca 0.10 0.02 0.25 0.00 -0.00 0.00 0.00 58.89 59.26 3din h TRP 762 Cb 0.48 0.28 -0.11 0.00 -0.00 0.00 0.00 29.16 29.81 3din h TRP 762 CO -0.85 -0.21 0.63 0.07 -0.00 0.00 0.00 178.44 178.08 3din h ARG 763 N -0.23 0.49 0.92 2.65 0.11 -0.81 0.19 114.38 117.70 3din h ARG 763 Ca 0.01 -0.03 -0.04 0.00 0.10 0.00 0.00 59.98 60.02 3din h ARG 763 Cb 0.26 -0.11 0.01 0.00 1.11 0.00 0.00 29.97 31.24 3din h ARG 763 CO -0.16 0.33 -0.44 0.00 0.10 0.00 0.00 179.97 179.79 3din h ARG 764 N 0.51 -1.19 0.00 0.08 3.08 0.19 -1.55 114.38 115.50 3din h ARG 764 Ca 0.61 0.08 0.00 0.00 0.07 0.00 0.00 59.98 60.74 3din h ARG 764 Cb 1.32 0.27 0.00 0.00 0.08 0.00 0.00 29.97 31.64 3din h ARG 764 CO -0.37 -0.79 0.00 0.66 -1.07 0.00 0.00 179.97 178.40 3din n TYR 765 N -5.36 0.00 0.05 3.04 4.02 0.37 0.72 117.16 120.00 3din n TYR 765 Ca -0.15 0.00 -0.10 0.00 -0.01 0.00 0.00 57.90 57.64 3din n TYR 765 Cb 0.49 -0.27 -0.13 0.00 -0.02 0.00 0.00 39.34 39.40 3din n TYR 765 CO 0.00 0.00 0.00 1.25 -1.01 0.00 0.00 176.86 177.10 3din h LEU 766 N 0.00 0.13 -0.73 7.72 6.46 0.30 -2.23 115.31 126.96 3din h LEU 766 Ca 0.00 -0.16 0.02 0.00 -0.12 0.00 0.00 57.88 57.62 3din h LEU 766 Cb 0.01 -0.04 -0.04 0.00 -0.73 0.00 0.00 40.66 39.85 3din h LEU 766 CO 0.00 1.13 0.48 -0.08 -0.62 0.00 0.00 178.44 179.34 3din h GLU 767 N 0.02 0.93 0.00 1.25 4.81 0.65 0.15 114.58 122.39 3din h GLU 767 Ca -0.11 -0.06 -0.04 0.00 -0.13 0.00 0.00 59.36 59.02 3din h GLU 767 Cb 1.88 -0.21 -0.01 0.00 0.63 0.00 0.00 28.75 31.04 3din h GLU 767 CO 0.14 0.61 -0.19 1.49 -0.73 0.00 0.00 179.01 180.33 3din h GLU 768 N 0.96 0.00 0.00 1.92 4.57 -1.41 -2.10 114.58 118.52 3din h GLU 768 Ca 0.28 0.00 -0.05 0.00 -1.18 0.00 0.00 59.36 58.41 3din h GLU 768 Cb -0.07 0.00 -0.01 0.00 -0.16 0.00 0.00 28.75 28.52 3din h GLU 768 CO -0.08 0.19 -0.24 0.28 -1.18 0.00 0.00 179.01 177.99 3din h VAL 769 N 0.00 0.96 -0.13 0.32 2.07 -0.08 -0.80 116.25 118.58 3din h VAL 769 Ca -0.00 -0.87 -0.23 0.00 0.82 0.00 0.00 66.70 66.42 3din h VAL 769 Cb 0.56 1.50 0.01 0.00 -1.52 0.00 0.00 31.29 31.84 3din h VAL 769 CO 0.02 0.23 -0.81 -0.08 0.02 0.00 0.00 177.57 176.95 3din h GLU 770 N 0.00 0.76 -0.52 1.57 4.57 -0.93 -2.02 114.58 118.01 3din h GLU 770 Ca -0.00 -0.64 -0.06 0.00 -1.18 0.00 0.00 59.36 57.47 3din h GLU 770 Cb 0.48 0.14 -0.02 0.00 -0.16 0.00 0.00 28.75 29.19 3din h GLU 770 CO 0.03 1.25 0.07 0.45 -1.18 0.00 0.00 179.01 179.62 3din h HIS 771 N 0.51 0.87 0.00 0.92 3.86 -1.29 -0.68 115.15 119.35 3din h HIS 771 Ca -0.06 -0.10 -0.03 0.00 -1.16 0.00 0.00 60.37 59.02 3din h HIS 771 Cb 1.44 -0.25 -0.00 0.00 1.06 0.00 0.00 27.41 29.66 3din h HIS 771 CO 0.09 0.77 -0.14 0.28 0.86 0.00 0.00 177.93 179.79 3din h VAL 772 N 0.79 0.83 0.00 2.45 2.07 -1.01 0.35 116.25 121.74 3din h VAL 772 Ca 0.16 -0.52 -0.00 0.00 0.82 0.00 0.00 66.70 67.16 3din h VAL 772 Cb 0.38 1.30 -0.00 0.00 -1.52 0.00 0.00 31.29 31.45 3din h VAL 772 CO 0.01 0.13 -0.02 0.11 0.02 0.00 0.00 177.57 177.82 3din h LYS 773 N 0.00 0.00 -0.18 1.57 1.57 -0.36 0.74 116.57 119.91 3din h LYS 773 Ca -0.00 0.00 -0.21 0.00 -1.87 0.00 0.00 60.65 58.57 3din h LYS 773 Cb 0.29 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.60 3din h LYS 773 CO 0.02 0.02 -0.70 1.49 -0.57 0.00 0.00 179.45 179.70 3din h GLU 774 N 0.00 0.75 -0.20 3.15 4.22 -0.24 -2.85 114.58 119.41 3din h GLU 774 Ca -0.00 -0.57 -0.00 0.00 0.08 0.00 0.00 59.36 58.87 3din h GLU 774 Cb 0.05 0.10 -0.01 0.00 0.50 0.00 0.00 28.75 29.39 3din h GLU 774 CO 0.00 1.18 0.12 0.00 -2.18 0.00 0.00 179.01 178.13 3din h ALA 775 N 0.67 1.83 -0.00 2.92 0.00 -0.78 0.25 119.26 124.15 3din h ALA 775 Ca -0.03 -0.03 0.00 0.00 0.00 0.00 0.00 54.91 54.86 3din h ALA 775 Cb 1.31 -0.08 0.00 0.00 0.00 0.00 0.00 17.79 19.02 3din h ALA 775 CO 0.14 0.15 -0.00 1.33 0.00 0.00 0.00 179.25 180.87 3din n VAL 776 N -4.49 0.00 1.25 0.00 0.24 -0.94 -1.23 118.33 113.16 3din n VAL 776 Ca -0.00 -0.00 0.13 0.00 -2.04 0.00 0.00 64.34 62.43 3din n VAL 776 Cb 0.09 -0.50 0.47 0.00 -1.47 0.00 0.00 33.84 32.42 3din n VAL 776 CO 0.00 0.00 0.00 1.67 -2.14 0.00 0.00 176.83 176.36 3din n GLN 777 N -1.44 0.58 -0.09 7.34 0.00 0.86 -3.73 117.38 120.90 3din n GLN 777 Ca 0.09 -0.27 -0.21 0.00 -0.00 0.00 0.00 57.00 56.61 3din n GLN 777 Cb 0.31 -1.49 -0.12 0.00 0.00 0.00 0.00 30.24 28.94 3din n GLN 777 CO 0.00 0.00 0.00 1.28 0.00 0.00 0.00 177.06 178.34 3din n LEU 778 N -0.97 2.68 -0.45 1.69 4.77 -0.36 -4.40 117.00 119.95 3din n LEU 778 Ca 0.12 0.07 0.38 0.00 -0.03 0.00 0.00 56.01 56.54 3din n LEU 778 Cb 0.32 -0.97 0.66 0.00 -2.33 0.00 0.00 43.42 41.09 3din n LEU 778 CO 0.27 0.83 1.22 0.08 -1.33 0.00 0.00 177.39 178.46 3din h ARG 779 N -0.16 0.05 -0.70 3.23 0.11 -1.56 -2.16 114.38 113.18 3din h ARG 779 Ca -0.53 -0.00 0.27 0.00 0.10 0.00 0.00 59.98 59.82 3din h ARG 779 Cb 1.87 -0.01 -0.10 0.00 1.11 0.00 0.00 29.97 32.84 3din h ARG 779 CO -0.08 0.03 0.42 0.43 0.10 0.00 0.00 179.97 180.87 3din n SER 780 N -4.74 0.17 -4.17 0.08 7.64 -1.26 -4.16 113.62 107.18 3din n SER 780 Ca 0.39 0.93 -0.27 0.00 1.01 0.00 0.00 58.87 60.93 3din n SER 780 Cb 1.49 -0.46 -0.16 0.00 -1.01 0.00 0.00 64.21 64.07 3din n SER 780 CO 0.00 0.00 0.00 -0.31 -3.01 0.00 0.00 175.04 171.72 3din s TYR 781 N -4.78 1.86 0.00 1.43 2.02 -0.81 -4.95 117.35 112.12 3din s TYR 781 Ca -0.05 -0.52 0.00 0.00 -0.37 0.00 0.00 57.07 56.13 3din s TYR 781 Cb 0.20 -1.24 0.00 0.00 -0.40 0.00 0.00 41.96 40.52 3din s TYR 781 CO 0.48 -0.16 0.00 0.41 -1.57 0.00 0.00 175.55 174.71 3din n GLY 782 N 3.03 1.16 0.00 0.71 0.00 -1.26 -4.99 105.19 103.83 3din n GLY 782 Ca -0.18 -0.79 0.00 0.00 0.00 0.00 0.00 46.02 45.05 3din n GLY 782 CO 0.00 0.00 0.00 -0.18 0.00 0.00 0.00 173.32 173.14 3din n GLN 783 N 0.00 -1.00 0.00 1.61 7.27 -1.26 -5.03 117.38 118.97 3din n GLN 783 Ca 0.00 0.00 0.00 0.00 0.07 0.00 0.00 57.00 57.07 3din n GLN 783 Cb 0.00 0.00 0.00 0.00 2.41 0.00 0.00 30.24 32.65 3din n GLN 783 CO 0.00 0.00 0.00 1.63 0.07 0.00 0.00 177.06 178.76 3din n LYS 784 N -1.46 1.48 -0.18 3.69 5.02 -1.26 -4.89 118.16 120.56 3din n LYS 784 Ca 0.00 0.00 0.00 0.00 -2.02 0.00 0.00 58.31 56.29 3din n LYS 784 Cb 0.00 0.00 0.00 0.00 -0.02 0.00 0.00 35.03 35.01 3din n LYS 784 CO 0.00 0.00 0.00 -0.25 -0.52 0.00 0.00 177.40 176.63 3din n ASP 785 N 0.00 0.00 -3.49 4.39 8.00 -1.26 -4.56 116.55 119.62 3din n ASP 785 Ca 0.00 -1.22 -0.40 0.00 0.71 0.00 0.00 54.79 53.88 3din n ASP 785 Cb 0.00 -0.04 0.01 0.00 -0.02 0.00 0.00 41.12 41.07 3din n ASP 785 CO 0.00 0.00 0.00 -0.81 -0.39 0.00 0.00 177.20 176.00 3din n PRO 786 N 0.00 4.89 -1.23 -0.24 -0.04 -1.26 -4.78 135.00 132.34 3din n PRO 786 Ca 0.00 -4.14 -0.08 0.00 -0.04 0.00 0.00 63.50 59.24 3din n PRO 786 Cb 0.54 -2.49 -0.04 0.00 -0.04 0.00 0.00 33.50 31.48 3din n PRO 786 CO 0.00 0.00 0.00 -0.89 -0.04 0.00 0.00 175.50 174.57 3din n ILE 787 N 0.47 0.00 0.00 0.52 -0.00 -1.26 -4.91 119.36 114.18 3din n ILE 787 Ca 0.52 0.00 0.00 0.00 -0.00 0.00 0.00 62.75 63.27 3din n ILE 787 Cb 0.27 -1.38 0.00 0.00 -0.00 0.00 0.00 39.64 38.52 3din n ILE 787 CO 0.00 0.00 0.00 0.52 -0.00 0.00 0.00 176.55 177.07 3din n VAL 788 N -2.14 0.00 -0.46 1.39 0.31 -1.26 -1.69 118.33 114.48 3din n VAL 788 Ca -0.08 0.72 0.38 0.00 -0.01 0.00 0.00 64.34 65.34 3din n VAL 788 Cb 0.57 -1.39 0.63 0.00 -0.91 0.00 0.00 33.84 32.74 3din n VAL 788 CO 0.00 0.00 0.00 1.21 -1.32 0.00 0.00 176.83 176.72 3din n GLU 789 N -0.35 -0.03 0.08 5.55 2.13 -1.26 -0.19 120.64 126.57 3din n GLU 789 Ca 0.00 1.10 -0.13 0.00 0.66 0.00 0.00 57.16 58.80 3din n GLU 789 Cb 0.00 -2.23 -0.09 0.00 0.27 0.00 0.00 31.44 29.40 3din n GLU 789 CO 0.00 0.00 0.00 0.35 -0.41 0.00 0.00 177.13 177.07 3din h PHE 790 N 0.00 -0.20 -0.89 4.31 3.57 -1.87 -1.81 116.94 120.05 3din h PHE 790 Ca 0.80 -0.00 0.07 0.00 3.53 0.00 0.00 57.97 62.36 3din h PHE 790 Cb 2.69 0.07 -0.06 0.00 2.79 0.00 0.00 35.95 41.43 3din h PHE 790 CO -0.00 0.18 0.55 -0.22 -2.23 0.00 0.00 178.31 176.59 3din h LYS 791 N -0.62 0.97 0.00 1.11 3.64 0.34 1.27 116.57 123.27 3din h LYS 791 Ca -0.02 -0.06 -0.07 0.00 -1.27 0.00 0.00 60.65 59.23 3din h LYS 791 Cb 0.47 -0.22 -0.01 0.00 -0.41 0.00 0.00 32.23 32.06 3din h LYS 791 CO 0.04 0.64 -0.35 1.57 -2.27 0.00 0.00 179.45 179.08 3din h LYS 792 N 1.00 0.00 0.00 1.90 2.10 -1.43 -2.90 116.57 117.24 3din h LYS 792 Ca 0.39 0.00 -0.20 0.00 -2.00 0.00 0.00 60.65 58.84 3din h LYS 792 Cb 0.20 0.00 -0.03 0.00 -0.90 0.00 0.00 32.23 31.49 3din h LYS 792 CO -0.18 0.35 -1.56 0.39 -2.00 0.00 0.00 179.45 176.45 3din n GLU 793 N -3.78 0.63 -0.18 0.07 -0.58 -0.40 -2.98 120.64 113.41 3din n GLU 793 Ca -0.01 0.21 -0.01 0.00 -0.42 0.00 0.00 57.16 56.93 3din n GLU 793 Cb 0.43 -1.77 0.22 0.00 -0.57 0.00 0.00 31.44 29.75 3din n GLU 793 CO 0.00 0.00 0.00 1.79 -0.48 0.00 0.00 177.13 178.44 3din h THR 794 N 0.00 1.21 0.11 2.62 1.35 0.17 -1.27 112.91 117.10 3din h THR 794 Ca -0.21 -0.53 -0.29 0.00 -0.55 0.00 0.00 66.41 64.83 3din h THR 794 Cb 1.69 0.31 -0.01 0.00 -1.73 0.00 0.00 68.15 68.42 3din h THR 794 CO 0.05 0.23 -1.41 1.88 -0.25 0.00 0.00 175.52 176.03 3din h TYR 795 N 0.94 0.43 -0.21 4.73 -1.99 -1.64 -2.14 116.97 117.08 3din h TYR 795 Ca 0.24 -0.31 0.05 0.00 2.00 0.00 0.00 58.73 60.70 3din h TYR 795 Cb 0.04 -0.02 -0.05 0.00 2.00 0.00 0.00 36.73 38.71 3din h TYR 795 CO 0.01 1.31 -0.10 -0.92 -0.00 0.00 0.00 178.16 178.46 3din h TYR 796 N 0.06 -0.23 -0.05 4.88 5.03 -1.38 0.28 116.97 125.57 3din h TYR 796 Ca -0.19 0.02 -0.07 0.00 2.58 0.00 0.00 58.73 61.07 3din h TYR 796 Cb 1.99 0.14 -0.01 0.00 1.55 0.00 0.00 36.73 40.39 3din h TYR 796 CO 0.06 -0.16 -0.29 1.98 -1.32 0.00 0.00 178.16 178.43 3din h MET 797 N -0.07 0.09 -0.41 1.82 4.05 -1.33 -1.46 114.93 117.62 3din h MET 797 Ca 0.11 -0.03 -0.07 0.00 -0.28 0.00 0.00 59.70 59.43 3din h MET 797 Cb 0.24 -0.01 -0.01 0.00 -0.80 0.00 0.00 31.60 31.02 3din h MET 797 CO -0.26 0.38 -0.03 0.35 0.23 0.00 0.00 176.91 177.58 3din h PHE 798 N 0.08 0.81 -0.13 1.39 3.04 -0.26 0.39 116.94 122.26 3din h PHE 798 Ca 0.01 -0.15 -0.09 0.00 3.98 0.00 0.00 57.97 61.72 3din h PHE 798 Cb 0.56 -0.21 0.00 0.00 2.56 0.00 0.00 35.95 38.87 3din h PHE 798 CO 0.00 0.82 -0.26 0.22 -2.02 0.00 0.00 178.31 177.08 3din h ASP 799 N 0.56 0.45 -0.36 0.41 -0.00 -0.34 -2.60 116.42 114.54 3din h ASP 799 Ca 0.11 -0.56 0.04 0.00 -0.00 0.00 0.00 57.03 56.62 3din h ASP 799 Cb 0.52 -0.13 -0.04 0.00 -0.00 0.00 0.00 39.33 39.68 3din h ASP 799 CO 0.03 0.93 0.11 -0.08 -0.00 0.00 0.00 179.24 180.23 3din h GLU 800 N -0.01 0.25 -0.20 0.28 4.81 -1.22 -2.66 114.58 115.81 3din h GLU 800 Ca 0.00 -0.01 0.02 0.00 -0.13 0.00 0.00 59.36 59.24 3din h GLU 800 Cb 0.86 -0.06 -0.04 0.00 0.63 0.00 0.00 28.75 30.15 3din h GLU 800 CO 0.06 0.16 -0.23 1.98 -0.73 0.00 0.00 179.01 180.25 3din h MET 801 N 0.25 -0.13 -0.03 1.92 4.05 -0.14 -1.92 114.93 118.93 3din h MET 801 Ca 0.17 0.01 0.03 0.00 -0.28 0.00 0.00 59.70 59.63 3din h MET 801 Cb 0.15 0.03 -0.06 0.00 -0.80 0.00 0.00 31.60 30.93 3din h MET 801 CO -0.18 -0.09 -0.42 0.52 0.23 0.00 0.00 176.91 176.97 3din h MET 802 N -0.14 -0.54 -1.01 0.39 2.86 -1.30 -1.65 114.93 113.55 3din h MET 802 Ca 0.03 0.04 0.21 0.00 -2.06 0.00 0.00 59.70 57.92 3din h MET 802 Cb 0.23 0.12 -0.11 0.00 0.06 0.00 0.00 31.60 31.90 3din h MET 802 CO -0.26 -0.36 0.61 -0.09 1.06 0.00 0.00 176.91 177.87 3din h ARG 803 N -0.56 0.69 -0.26 1.72 1.12 -1.38 0.23 114.38 115.93 3din h ARG 803 Ca 0.05 -0.04 0.03 0.00 -1.11 0.00 0.00 59.98 58.91 3din h ARG 803 Cb 0.65 -0.15 -0.03 0.00 -0.01 0.00 0.00 29.97 30.42 3din h ARG 803 CO -0.34 0.45 0.06 0.00 -3.11 0.00 0.00 179.97 177.04 3din h ARG 804 N 0.71 0.17 -0.06 0.20 2.47 -0.50 -2.95 114.38 114.42 3din h ARG 804 Ca 0.60 -0.01 0.01 0.00 -1.26 0.00 0.00 59.98 59.32 3din h ARG 804 Cb 1.01 -0.04 -0.02 0.00 -1.65 0.00 0.00 29.97 29.27 3din h ARG 804 CO -0.41 0.11 -0.14 0.82 0.56 0.00 0.00 179.97 180.91 3din h ILE 805 N 0.17 0.00 -1.28 2.04 2.04 0.16 -1.72 117.51 118.93 3din h ILE 805 Ca 0.12 0.00 0.41 0.00 1.00 0.00 0.00 64.86 66.39 3din h ILE 805 Cb 0.11 0.00 -0.12 0.00 -0.74 0.00 0.00 36.82 36.07 3din h ILE 805 CO -0.15 0.00 0.82 0.78 0.00 0.00 0.00 178.15 179.60 3din h ASN 806 N -0.13 0.27 0.37 1.72 2.35 -1.39 0.15 115.58 118.92 3din h ASN 806 Ca 0.01 0.13 -0.02 0.00 -0.55 0.00 0.00 56.30 55.88 3din h ASN 806 Cb 0.16 0.11 0.00 0.00 0.05 0.00 0.00 38.32 38.65 3din h ASN 806 CO -0.12 -0.15 -0.18 0.44 -1.65 0.00 0.00 177.43 175.77 3din h ASP 807 N 0.12 -0.42 0.33 5.81 3.32 -1.15 -2.54 116.42 121.90 3din h ASP 807 Ca 0.79 0.01 -0.02 0.00 0.02 0.00 0.00 57.03 57.84 3din h ASP 807 Cb 2.43 0.11 0.00 0.00 0.22 0.00 0.00 39.33 42.08 3din h ASP 807 CO -0.41 -0.24 -0.17 0.74 -1.72 0.00 0.00 179.24 177.45 3din h THR 808 N -0.61 0.66 -1.07 0.35 2.02 -1.02 -2.18 112.91 111.06 3din h THR 808 Ca -0.05 0.00 0.30 0.00 0.77 0.00 0.00 66.41 67.43 3din h THR 808 Cb 0.38 0.66 -0.06 0.00 -1.74 0.00 0.00 68.15 67.39 3din h THR 808 CO 0.08 0.00 0.75 -0.29 0.37 0.00 0.00 175.52 176.43 3din h ILE 809 N -0.45 0.48 0.00 3.11 -0.00 -0.86 -2.37 117.51 117.41 3din h ILE 809 Ca -0.04 -0.03 0.00 0.00 -0.00 0.00 0.00 64.86 64.78 3din h ILE 809 Cb 0.35 0.37 0.00 0.00 -0.00 0.00 0.00 36.82 37.54 3din h ILE 809 CO 0.07 0.02 0.00 0.00 -0.00 0.00 0.00 178.15 178.24 3din n ALA 810 N -2.68 -0.15 0.29 0.18 0.00 -0.83 -3.48 120.51 113.83 3din n ALA 810 Ca 0.23 0.00 0.11 0.00 0.00 0.00 0.00 53.44 53.79 3din n ALA 810 Cb 1.07 0.00 0.60 0.00 0.00 0.00 0.00 19.45 21.12 3din n ALA 810 CO 0.00 0.00 0.00 -0.97 0.00 0.00 0.00 177.50 176.53 3din h ASN 811 N 0.00 0.00 0.91 0.00 -0.73 -1.35 0.32 115.58 114.73 3din h ASN 811 Ca 0.00 0.00 -0.07 0.00 1.87 0.00 0.00 56.30 58.10 3din h ASN 811 Cb 0.00 0.00 -0.01 0.00 0.27 0.00 0.00 38.32 38.58 3din h ASN 811 CO 0.00 0.00 -0.32 1.88 -0.37 0.00 0.00 177.43 178.62 3din h TYR 812 N 0.00 0.00 -0.11 0.67 0.99 -1.47 -3.09 116.97 113.96 3din h TYR 812 Ca 0.00 0.00 -0.05 0.00 2.00 0.00 0.00 58.73 60.68 3din h TYR 812 Cb 0.80 0.00 -0.03 0.00 1.00 0.00 0.00 36.73 38.50 3din h TYR 812 CO 0.00 0.32 0.07 0.28 -0.00 0.00 0.00 178.16 178.82 3din n VAL 813 N -3.46 1.14 0.00 -2.88 0.31 0.11 -4.34 118.33 109.21 3din n VAL 813 Ca 0.00 -0.22 0.00 0.00 -0.01 0.00 0.00 64.34 64.11 3din n VAL 813 Cb 0.49 -0.88 0.00 0.00 -0.91 0.00 0.00 33.84 32.54 3din n VAL 813 CO 0.00 0.00 0.00 0.18 -1.32 0.00 0.00 176.83 175.69 3din n LEU 814 N 0.28 0.00 -4.52 7.52 4.77 -1.17 -5.03 117.00 118.84 3din n LEU 814 Ca 0.06 0.00 -0.37 0.00 -0.03 0.00 0.00 56.01 55.68 3din n LEU 814 Cb 0.60 0.00 -0.10 0.00 -2.33 0.00 0.00 43.42 41.60 3din n LEU 814 CO 0.07 -0.39 2.09 -1.14 -1.33 0.00 0.00 177.39 176.69 3din n ARG 815 N -2.18 0.49 0.00 3.23 0.63 -1.24 -5.19 116.66 112.40 3din n ARG 815 Ca 0.00 -0.04 0.00 0.00 -0.92 0.00 0.00 57.85 56.89 3din n ARG 815 Cb 0.00 -2.44 0.00 0.00 0.45 0.00 0.00 32.46 30.47 3din n ARG 815 CO 0.00 0.00 0.00 1.55 -2.51 0.00 0.00 177.63 176.67