#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2x3v s SER 15 N 0.00 7.01 0.39 -1.12 0.15 -1.26 -4.92 113.70 113.95 2x3v s SER 15 Ca 0.00 2.36 0.22 0.00 0.70 0.00 0.00 55.95 59.23 2x3v s SER 15 Cb 0.00 -2.63 1.23 0.00 -1.71 0.00 0.00 66.02 62.92 2x3v s SER 15 CO 0.00 -0.34 1.67 0.15 1.20 0.00 0.00 173.24 175.92 2x3v h PHE 16 N 3.45 0.70 0.00 3.44 3.57 -2.01 -0.22 116.94 125.86 2x3v h PHE 16 Ca -0.48 0.03 0.00 0.00 3.53 0.00 0.00 57.97 61.05 2x3v h PHE 16 Cb 1.22 -0.19 0.00 0.00 2.79 0.00 0.00 35.95 39.77 2x3v h PHE 16 CO 0.57 -0.14 0.00 0.91 -2.23 0.00 0.00 178.31 177.42 2x3v n TRP 17 N -4.82 0.79 -2.56 0.41 7.02 -1.26 -4.15 117.44 112.87 2x3v n TRP 17 Ca 0.33 0.28 -0.39 0.00 -1.02 0.00 0.00 57.50 56.70 2x3v n TRP 17 Cb 1.15 -0.96 -0.05 0.00 -2.42 0.00 0.00 31.31 29.03 2x3v n TRP 17 CO 0.00 0.00 0.00 -1.21 -2.02 0.00 0.00 177.69 174.46 2x3v s GLU 18 N -3.23 4.57 0.02 -0.99 0.41 -0.10 -4.96 118.70 114.43 2x3v s GLU 18 Ca 0.07 1.65 -0.36 0.00 -0.41 0.00 0.00 54.97 55.91 2x3v s GLU 18 Cb 0.10 -3.04 -0.15 0.00 -1.78 0.00 0.00 34.13 29.26 2x3v s GLU 18 CO 0.45 0.20 1.52 0.28 -0.49 0.00 0.00 175.26 177.22 2x3v n VAL 19 N 0.93 0.11 0.00 2.63 0.31 -1.26 -1.96 118.33 119.09 2x3v n VAL 19 Ca 0.00 -0.02 0.00 0.00 -0.01 0.00 0.00 64.34 64.31 2x3v n VAL 19 Cb 0.47 -1.15 0.00 0.00 -0.91 0.00 0.00 33.84 32.25 2x3v n VAL 19 CO 0.00 0.00 0.00 0.61 -1.32 0.00 0.00 176.83 176.12 2x3v n GLY 20 N 3.19 2.89 0.00 2.92 0.00 -1.26 -4.94 105.19 108.00 2x3v n GLY 20 Ca 0.20 -0.42 0.09 0.00 0.00 0.00 0.00 46.02 45.89 2x3v n GLY 20 CO 0.00 0.00 0.00 0.70 0.00 0.00 0.00 173.32 174.02 2x3v n ASN 21 N 0.41 0.00 0.28 1.61 3.02 -0.83 -2.33 115.26 117.42 2x3v n ASN 21 Ca 0.00 -0.74 0.17 0.00 -0.03 0.00 0.00 54.58 53.98 2x3v n ASN 21 Cb 0.00 0.00 0.78 0.00 -0.61 0.00 0.00 39.78 39.95 2x3v n ASN 21 CO 0.00 0.00 0.00 0.10 -2.62 0.00 0.00 177.26 174.74 2x3v h TYR 22 N 0.00 0.00 -0.91 3.10 -0.00 -1.80 -3.29 116.97 114.07 2x3v h TYR 22 Ca 0.00 0.00 0.26 0.00 0.00 0.00 0.00 58.73 58.99 2x3v h TYR 22 Cb 0.00 0.00 -0.15 0.00 0.00 0.00 0.00 36.73 36.58 2x3v h TYR 22 CO 0.00 0.06 0.27 1.57 -0.00 0.00 0.00 178.16 180.06 2x3v h LYS 23 N 0.00 0.19 -0.56 0.10 2.10 -1.87 -0.32 116.57 116.21 2x3v h LYS 23 Ca -0.00 -0.01 0.11 0.00 -2.00 0.00 0.00 60.65 58.75 2x3v h LYS 23 Cb 0.39 -0.04 -0.10 0.00 -0.90 0.00 0.00 32.23 31.58 2x3v h LYS 23 CO 0.01 0.12 -0.08 -0.09 -2.00 0.00 0.00 179.45 177.41 2x3v h ARG 24 N 0.19 0.05 -0.85 0.07 2.43 -1.86 0.18 114.38 114.60 2x3v h ARG 24 Ca 0.59 -0.00 0.01 0.00 -0.81 0.00 0.00 59.98 59.77 2x3v h ARG 24 Cb 1.25 -0.01 -0.04 0.00 -0.42 0.00 0.00 29.97 30.74 2x3v h ARG 24 CO -0.68 0.03 0.56 1.15 -1.51 0.00 0.00 179.97 179.52 2x3v h THR 25 N 0.05 1.22 -0.22 0.20 2.02 -1.31 -2.88 112.91 111.98 2x3v h THR 25 Ca 0.28 -0.39 -0.20 0.00 0.77 0.00 0.00 66.41 66.87 2x3v h THR 25 Cb 0.44 -0.03 0.01 0.00 -1.74 0.00 0.00 68.15 66.82 2x3v h THR 25 CO -0.53 0.21 -0.64 0.58 0.37 0.00 0.00 175.52 175.50 2x3v h VAL 26 N 1.15 1.28 -0.62 3.16 2.07 -0.72 -3.04 116.25 119.53 2x3v h VAL 26 Ca 0.31 -1.83 0.05 0.00 0.82 0.00 0.00 66.70 66.05 2x3v h VAL 26 Cb -0.13 1.80 -0.04 0.00 -1.52 0.00 0.00 31.29 31.40 2x3v h VAL 26 CO -0.07 0.59 0.41 0.50 0.02 0.00 0.00 177.57 179.02 2x3v h LYS 27 N 0.60 0.64 -0.79 1.57 3.64 -0.64 -1.35 116.57 120.24 2x3v h LYS 27 Ca -0.02 -0.04 0.17 0.00 -1.27 0.00 0.00 60.65 59.50 2x3v h LYS 27 Cb 1.27 -0.15 -0.05 0.00 -0.41 0.00 0.00 32.23 32.89 2x3v h LYS 27 CO 0.14 0.43 0.53 -0.09 -2.27 0.00 0.00 179.45 178.19 2x3v h ARG 28 N 0.66 0.34 -0.22 1.90 1.12 -1.38 0.22 114.38 117.02 2x3v h ARG 28 Ca 0.26 -0.02 -0.09 0.00 -1.11 0.00 0.00 59.98 59.02 2x3v h ARG 28 Cb 0.19 -0.08 -0.00 0.00 -0.01 0.00 0.00 29.97 30.07 2x3v h ARG 28 CO -0.08 0.23 -0.21 0.82 -3.11 0.00 0.00 179.97 177.62 2x3v h ILE 29 N 0.35 1.32 -0.41 1.20 2.04 -1.33 -1.15 117.51 119.54 2x3v h ILE 29 Ca 0.39 -1.37 -0.01 0.00 1.00 0.00 0.00 64.86 64.88 2x3v h ILE 29 Cb 1.02 1.72 -0.02 0.00 -0.74 0.00 0.00 36.82 38.80 2x3v h ILE 29 CO -0.12 0.42 0.20 0.44 0.00 0.00 0.00 178.15 179.09 2x3v h ASP 30 N 0.21 0.52 -0.83 1.72 3.32 -1.40 -2.92 116.42 117.05 2x3v h ASP 30 Ca 0.04 -0.12 0.10 0.00 0.02 0.00 0.00 57.03 57.07 2x3v h ASP 30 Cb 0.75 -0.13 -0.08 0.00 0.22 0.00 0.00 39.33 40.10 2x3v h ASP 30 CO 0.05 0.49 0.47 0.44 -1.72 0.00 0.00 179.24 178.97 2x3v h ASP 31 N 0.52 0.66 -0.63 6.45 3.45 -0.86 -1.89 116.42 124.11 2x3v h ASP 31 Ca 0.14 0.05 0.11 0.00 0.43 0.00 0.00 57.03 57.77 2x3v h ASP 31 Cb 0.10 -0.07 -0.08 0.00 -0.56 0.00 0.00 39.33 38.72 2x3v h ASP 31 CO -0.02 0.37 0.20 1.23 -1.57 0.00 0.00 179.24 179.44 2x3v h GLY 32 N 0.77 0.87 0.94 2.75 0.00 -1.02 0.26 103.07 107.65 2x3v h GLY 32 Ca 0.41 -0.08 -0.00 0.00 0.00 0.00 0.00 47.33 47.65 2x3v h GLY 32 CO -0.26 -0.08 0.04 0.84 0.00 0.00 0.00 176.54 177.08 2x3v h HIS 33 N 0.35 0.10 -0.86 5.60 -0.00 -1.31 -2.55 115.15 116.47 2x3v h HIS 33 Ca 0.33 -0.00 0.02 0.00 -0.00 0.00 0.00 60.37 60.72 2x3v h HIS 33 Cb 0.47 -0.03 -0.04 0.00 -0.00 0.00 0.00 27.41 27.80 2x3v h HIS 33 CO -0.20 0.13 0.57 -0.09 -0.00 0.00 0.00 177.93 178.33 2x3v h ARG 34 N 0.04 1.11 -0.24 5.26 1.12 -0.85 -1.70 114.38 119.12 2x3v h ARG 34 Ca 0.03 -0.07 -0.03 0.00 -1.11 0.00 0.00 59.98 58.80 2x3v h ARG 34 Cb 0.06 -0.25 -0.01 0.00 -0.01 0.00 0.00 29.97 29.76 2x3v h ARG 34 CO -0.00 0.73 0.03 -0.07 -3.11 0.00 0.00 179.97 177.55 2x3v h LEU 35 N 1.14 0.32 -0.31 3.80 4.07 -0.33 -1.40 115.31 122.59 2x3v h LEU 35 Ca 0.32 -0.04 -0.07 0.00 0.08 0.00 0.00 57.88 58.17 2x3v h LEU 35 Cb -0.09 -0.08 -0.01 0.00 1.08 0.00 0.00 40.66 41.56 2x3v h LEU 35 CO -0.08 0.35 -0.09 0.00 -1.08 0.00 0.00 178.44 177.54 2x3v h ASN 37 N 0.39 -0.71 -0.69 0.00 4.21 -1.17 -1.49 115.58 116.13 2x3v h ASN 37 Ca 0.08 0.09 0.08 0.00 1.21 0.00 0.00 56.30 57.76 2x3v h ASN 37 Cb 0.59 0.28 -0.07 0.00 -1.12 0.00 0.00 38.32 38.01 2x3v h ASN 37 CO 0.03 -0.32 0.35 0.44 -1.29 0.00 0.00 177.43 176.64 2x3v h ASP 38 N -0.40 0.47 -0.77 5.81 3.32 -1.20 0.07 116.42 123.71 2x3v h ASP 38 Ca 0.05 0.05 -0.05 0.00 0.02 0.00 0.00 57.03 57.10 2x3v h ASP 38 Cb 0.46 -0.03 -0.03 0.00 0.22 0.00 0.00 39.33 39.95 2x3v h ASP 38 CO -0.19 0.28 0.27 0.25 -1.72 0.00 0.00 179.24 178.13 2x3v h LEU 39 N 0.61 1.09 -0.21 1.55 7.12 -1.11 0.14 115.31 124.51 2x3v h LEU 39 Ca 0.33 -0.19 -0.02 0.00 0.13 0.00 0.00 57.88 58.12 2x3v h LEU 39 Cb 0.31 -0.29 -0.01 0.00 -0.53 0.00 0.00 40.66 40.15 2x3v h LEU 39 CO -0.24 1.00 0.04 0.24 -0.13 0.00 0.00 178.44 179.34 2x3v h MET 40 N 1.13 0.34 -0.67 1.25 2.86 -0.25 -1.55 114.93 118.04 2x3v h MET 40 Ca 0.25 -0.09 0.07 0.00 -2.06 0.00 0.00 59.70 57.87 2x3v h MET 40 Cb 0.27 -0.04 -0.06 0.00 0.06 0.00 0.00 31.60 31.83 2x3v h MET 40 CO -0.01 0.49 0.35 0.77 1.06 0.00 0.00 176.91 179.56 2x3v h SER 41 N 0.14 0.48 -0.42 1.22 0.02 -0.74 -0.79 113.55 113.46 2x3v h SER 41 Ca 0.06 0.05 0.03 0.00 -0.84 0.00 0.00 61.79 61.09 2x3v h SER 41 Cb 0.31 -0.04 -0.04 0.00 0.14 0.00 0.00 62.40 62.77 2x3v h SER 41 CO 0.00 0.30 0.21 0.00 -1.14 0.00 0.00 176.83 176.20 2x3v h VAL 43 N 0.42 1.45 -0.25 0.00 -1.51 -1.00 -2.63 116.25 112.73 2x3v h VAL 43 Ca 0.18 -2.46 0.01 0.00 -1.23 0.00 0.00 66.70 63.20 2x3v h VAL 43 Cb 0.09 2.36 -0.01 0.00 -2.13 0.00 0.00 31.29 31.60 2x3v h VAL 43 CO -0.13 0.72 0.15 -0.61 -1.23 0.00 0.00 177.57 176.48 2x3v h GLN 44 N 0.16 0.31 -0.20 5.19 4.15 -0.98 0.12 115.11 123.86 2x3v h GLN 44 Ca -0.05 -0.02 -0.06 0.00 0.77 0.00 0.00 58.65 59.29 2x3v h GLN 44 Cb 1.45 -0.07 -0.01 0.00 0.21 0.00 0.00 27.48 29.06 2x3v h GLN 44 CO 0.13 0.20 -0.16 0.93 -1.93 0.00 0.00 178.83 178.01 2x3v h GLU 45 N 0.32 0.33 -0.21 1.69 5.08 -1.20 -1.22 114.58 119.37 2x3v h GLU 45 Ca 0.10 -0.09 -0.12 0.00 -1.00 0.00 0.00 59.36 58.24 2x3v h GLU 45 Cb -0.02 -0.04 -0.00 0.00 0.50 0.00 0.00 28.75 29.19 2x3v h GLU 45 CO -0.03 0.50 -0.35 -0.09 -1.00 0.00 0.00 179.01 178.03 2x3v h ARG 46 N 0.31 0.60 -0.89 2.33 9.65 -1.18 -2.43 114.38 122.77 2x3v h ARG 46 Ca 0.06 -0.37 0.16 0.00 -1.10 0.00 0.00 59.98 58.72 2x3v h ARG 46 Cb 0.47 0.04 -0.10 0.00 -1.39 0.00 0.00 29.97 29.00 2x3v h ARG 46 CO 0.03 0.98 0.48 0.00 2.80 0.00 0.00 179.97 184.26 2x3v h ALA 47 N 0.61 1.37 -0.04 2.80 0.00 -0.28 -1.14 119.26 122.59 2x3v h ALA 47 Ca 0.01 0.09 -0.00 0.00 0.00 0.00 0.00 54.91 55.01 2x3v h ALA 47 Cb 0.94 -0.02 -0.00 0.00 0.00 0.00 0.00 17.79 18.71 2x3v h ALA 47 CO 0.08 -0.09 0.02 -0.22 0.00 0.00 0.00 179.25 179.04 2x3v h LYS 48 N 0.65 0.05 -0.91 0.00 3.64 -1.01 -1.05 116.57 117.94 2x3v h LYS 48 Ca 0.49 -0.01 0.08 0.00 -1.27 0.00 0.00 60.65 59.95 2x3v h LYS 48 Cb 0.72 -0.01 -0.06 0.00 -0.41 0.00 0.00 32.23 32.47 2x3v h LYS 48 CO -0.37 0.11 0.59 0.82 -2.27 0.00 0.00 179.45 178.33 2x3v h ILE 49 N -0.02 1.02 -0.49 2.00 2.04 -0.93 -1.17 117.51 119.97 2x3v h ILE 49 Ca 0.01 -0.34 -0.13 0.00 1.00 0.00 0.00 64.86 65.41 2x3v h ILE 49 Cb 0.08 -0.05 -0.01 0.00 -0.74 0.00 0.00 36.82 36.09 2x3v h ILE 49 CO -0.00 0.18 -0.19 -0.33 0.00 0.00 0.00 178.15 177.81 2x3v h GLU 50 N 0.99 0.98 -0.32 2.37 4.39 -0.78 -2.79 114.58 119.42 2x3v h GLU 50 Ca 0.41 -0.40 -0.08 0.00 0.34 0.00 0.00 59.36 59.63 2x3v h GLU 50 Cb 0.29 -0.04 -0.02 0.00 -0.10 0.00 0.00 28.75 28.88 2x3v h GLU 50 CO -0.17 1.07 -0.14 -0.22 -1.16 0.00 0.00 179.01 178.39 2x3v h LYS 51 N 0.85 0.55 -0.06 2.33 3.64 -0.43 -2.18 116.57 121.28 2x3v h LYS 51 Ca 0.12 -0.17 -0.01 0.00 -1.27 0.00 0.00 60.65 59.31 2x3v h LYS 51 Cb 0.76 -0.05 -0.00 0.00 -0.41 0.00 0.00 32.23 32.53 2x3v h LYS 51 CO 0.06 0.68 -0.01 0.00 -2.27 0.00 0.00 179.45 177.91 2x3v h ALA 52 N 1.35 0.08 -0.75 5.00 0.00 -1.16 -1.36 119.26 122.42 2x3v h ALA 52 Ca 0.09 -0.19 0.04 0.00 0.00 0.00 0.00 54.91 54.84 2x3v h ALA 52 Cb 0.54 -0.02 -0.05 0.00 0.00 0.00 0.00 17.79 18.26 2x3v h ALA 52 CO 0.03 -0.23 0.47 -0.92 0.00 0.00 0.00 179.25 178.61 2x3v h TYR 53 N -0.22 0.88 -0.30 0.00 -0.00 -1.42 -1.54 116.97 114.37 2x3v h TYR 53 Ca 0.02 0.02 -0.08 0.00 -0.00 0.00 0.00 58.73 58.69 2x3v h TYR 53 Cb 0.38 -0.29 -0.01 0.00 -0.00 0.00 0.00 36.73 36.81 2x3v h TYR 53 CO 0.05 0.49 -0.11 0.00 -0.00 0.00 0.00 178.16 178.59 2x3v h ALA 54 N 1.33 0.42 -0.54 1.82 0.00 -1.30 -1.95 119.26 119.04 2x3v h ALA 54 Ca 0.31 -0.31 -0.07 0.00 0.00 0.00 0.00 54.91 54.84 2x3v h ALA 54 Cb 0.05 -0.10 -0.02 0.00 0.00 0.00 0.00 17.79 17.71 2x3v h ALA 54 CO -0.12 0.28 0.04 0.37 0.00 0.00 0.00 179.25 179.81 2x3v h GLN 55 N 0.37 0.89 -0.29 0.00 5.75 -0.95 -0.59 115.11 120.29 2x3v h GLN 55 Ca 0.07 -0.24 -0.10 0.00 -0.15 0.00 0.00 58.65 58.23 2x3v h GLN 55 Cb 0.61 -0.10 -0.01 0.00 1.07 0.00 0.00 27.48 29.05 2x3v h GLN 55 CO 0.04 0.86 -0.25 1.96 -2.65 0.00 0.00 178.83 178.79 2x3v h GLN 56 N 0.83 0.56 -0.64 1.69 4.20 -1.18 -0.55 115.11 120.02 2x3v h GLN 56 Ca 0.16 -0.22 -0.09 0.00 0.06 0.00 0.00 58.65 58.57 2x3v h GLN 56 Cb 0.44 -0.03 -0.02 0.00 0.30 0.00 0.00 27.48 28.17 2x3v h GLN 56 CO 0.02 0.76 0.06 -0.07 -0.67 0.00 0.00 178.83 178.93 2x3v h LEU 57 N 0.49 1.05 -0.15 1.46 3.38 -0.98 -2.39 115.31 118.17 2x3v h LEU 57 Ca 0.07 -0.28 0.00 0.00 0.09 0.00 0.00 57.88 57.76 2x3v h LEU 57 Cb 0.69 -0.28 -0.01 0.00 0.09 0.00 0.00 40.66 41.16 2x3v h LEU 57 CO 0.05 1.06 0.10 0.74 0.09 0.00 0.00 178.44 180.49 2x3v h THR 58 N 0.99 1.04 -0.19 0.22 2.02 -0.58 -1.35 112.91 115.06 2x3v h THR 58 Ca 0.19 -0.07 0.03 0.00 0.77 0.00 0.00 66.41 67.33 2x3v h THR 58 Cb 0.49 0.82 -0.03 0.00 -1.74 0.00 0.00 68.15 67.69 2x3v h THR 58 CO 0.02 0.04 0.00 0.44 0.37 0.00 0.00 175.52 176.39 2x3v h ASP 59 N 0.20 -0.07 -0.06 4.18 3.32 -1.06 -1.26 116.42 121.67 2x3v h ASP 59 Ca 0.06 0.04 0.03 0.00 0.02 0.00 0.00 57.03 57.18 2x3v h ASP 59 Cb -0.02 0.08 -0.04 0.00 0.22 0.00 0.00 39.33 39.57 2x3v h ASP 59 CO -0.01 -0.01 -0.14 -0.25 -1.72 0.00 0.00 179.24 177.11 2x3v h TRP 60 N 0.06 -0.36 -0.42 4.55 7.01 -1.35 0.18 115.95 125.63 2x3v h TRP 60 Ca 0.09 0.02 0.09 0.00 2.11 0.00 0.00 58.89 61.19 2x3v h TRP 60 Cb 0.11 0.17 -0.09 0.00 -2.10 0.00 0.00 29.16 27.25 2x3v h TRP 60 CO -0.17 -0.21 -0.22 0.00 -2.79 0.00 0.00 178.44 175.05 2x3v h ALA 61 N 0.80 0.06 -0.19 2.65 0.00 -1.00 0.10 119.26 121.67 2x3v h ALA 61 Ca 0.07 0.14 -0.01 0.00 0.00 0.00 0.00 54.91 55.10 2x3v h ALA 61 Cb 0.30 0.53 -0.01 0.00 0.00 0.00 0.00 17.79 18.61 2x3v h ALA 61 CO -0.18 -0.59 0.07 -0.22 0.00 0.00 0.00 179.25 178.32 2x3v h LYS 62 N -0.15 0.30 0.31 0.00 3.64 -0.90 -0.97 116.57 118.79 2x3v h LYS 62 Ca 0.20 -0.06 0.00 0.00 -1.27 0.00 0.00 60.65 59.52 2x3v h LYS 62 Cb 0.46 -0.04 -0.03 0.00 -0.41 0.00 0.00 32.23 32.20 2x3v h LYS 62 CO -0.51 0.39 -0.45 -0.09 -2.27 0.00 0.00 179.45 176.52 2x3v h ARG 63 N 0.15 -0.79 0.00 1.90 2.43 -0.33 -2.76 114.38 114.98 2x3v h ARG 63 Ca 0.06 0.05 -0.13 0.00 -0.81 0.00 0.00 59.98 59.16 2x3v h ARG 63 Cb 0.21 0.18 -0.02 0.00 -0.42 0.00 0.00 29.97 29.92 2x3v h ARG 63 CO -0.00 -0.52 -0.61 -1.49 -1.51 0.00 0.00 179.97 175.83 2x3v h TRP 64 N -0.82 0.00 -0.70 2.20 4.06 -0.81 -2.04 115.95 117.85 2x3v h TRP 64 Ca -0.02 0.00 -0.03 0.00 2.06 0.00 0.00 58.89 60.90 2x3v h TRP 64 Cb 0.76 0.00 -0.03 0.00 -1.00 0.00 0.00 29.16 28.89 2x3v h TRP 64 CO -0.31 0.61 0.31 -0.09 -3.56 0.00 0.00 178.44 175.41 2x3v h ARG 65 N 0.00 1.01 -0.28 0.49 2.43 -1.17 0.37 114.38 117.22 2x3v h ARG 65 Ca -0.01 -0.15 -0.14 0.00 -0.81 0.00 0.00 59.98 58.88 2x3v h ARG 65 Cb 1.29 -0.18 -0.00 0.00 -0.42 0.00 0.00 29.97 30.65 2x3v h ARG 65 CO 0.08 0.79 -0.35 0.37 -1.51 0.00 0.00 179.97 179.35 2x3v h GLN 66 N 1.00 0.74 -0.12 0.20 5.75 -1.23 -2.03 115.11 119.42 2x3v h GLN 66 Ca 0.24 -0.42 -0.13 0.00 -0.15 0.00 0.00 58.65 58.19 2x3v h GLN 66 Cb 0.14 0.03 -0.01 0.00 1.07 0.00 0.00 27.48 28.71 2x3v h GLN 66 CO -0.03 1.04 -0.48 -0.07 -2.65 0.00 0.00 178.83 176.64 2x3v h LEU 67 N 0.48 0.34 -0.10 -2.39 4.07 -1.18 -1.95 115.31 114.58 2x3v h LEU 67 Ca 0.04 -0.16 -0.12 0.00 0.08 0.00 0.00 57.88 57.72 2x3v h LEU 67 Cb 0.94 -0.10 0.00 0.00 1.08 0.00 0.00 40.66 42.59 2x3v h LEU 67 CO 0.08 0.77 -0.39 0.40 -1.08 0.00 0.00 178.44 178.22 2x3v h ILE 68 N 0.25 1.39 0.62 1.22 2.04 -0.96 -0.79 117.51 121.28 2x3v h ILE 68 Ca 0.01 -1.73 -0.02 0.00 1.00 0.00 0.00 64.86 64.12 2x3v h ILE 68 Cb 0.94 2.19 -0.01 0.00 -0.74 0.00 0.00 36.82 39.21 2x3v h ILE 68 CO 0.08 0.51 -0.44 -0.08 0.00 0.00 0.00 178.15 178.22 2x3v h GLU 69 N 0.01 -0.98 0.00 2.37 4.81 -1.34 -3.07 114.58 116.38 2x3v h GLU 69 Ca -0.02 0.07 0.00 0.00 -0.13 0.00 0.00 59.36 59.28 2x3v h GLU 69 Cb 1.03 0.22 0.00 0.00 0.63 0.00 0.00 28.75 30.63 2x3v h GLU 69 CO 0.08 -0.65 0.00 0.36 -0.73 0.00 0.00 179.01 178.07 2x3v n LYS 70 N -5.56 0.08 -1.81 1.92 2.85 -0.74 -4.79 118.16 110.10 2x3v n LYS 70 Ca -0.13 0.07 -0.29 0.00 -1.05 0.00 0.00 58.31 56.91 2x3v n LYS 70 Cb 0.45 -1.59 0.11 0.00 -0.65 0.00 0.00 35.03 33.34 2x3v n LYS 70 CO 0.00 0.00 0.00 0.20 -0.05 0.00 0.00 177.40 177.55 2x3v s GLY 71 N -3.17 1.60 0.00 2.58 0.00 -0.30 -4.98 107.32 103.05 2x3v s GLY 71 Ca 0.13 -0.66 0.19 0.00 0.00 0.00 0.00 44.72 44.38 2x3v s GLY 71 CO 0.54 -0.13 1.60 -1.55 0.00 0.00 0.00 173.10 173.56 2x3v n PRO 72 N -3.46 0.04 -1.84 2.90 -0.04 -1.26 -4.82 135.00 126.52 2x3v n PRO 72 Ca 0.08 0.16 -0.41 0.00 -0.04 0.00 0.00 63.50 63.30 2x3v n PRO 72 Cb 0.60 -1.50 -0.01 0.00 -0.04 0.00 0.00 33.50 32.56 2x3v n PRO 72 CO 0.00 0.00 0.00 -1.14 -0.04 0.00 0.00 175.50 174.32 2x3v s GLN 73 N -2.93 4.14 0.19 0.54 2.00 -1.26 -5.01 119.66 117.33 2x3v s GLN 73 Ca 0.11 2.53 -0.04 0.00 -2.00 0.00 0.00 55.36 55.96 2x3v s GLN 73 Cb 0.12 -2.99 -0.03 0.00 0.80 0.00 0.00 33.01 30.91 2x3v s GLN 73 CO 0.34 -0.50 0.19 1.52 -0.50 0.00 0.00 175.29 176.33 2x3v s TYR 74 N -0.97 0.89 0.00 1.67 -0.85 -1.26 -4.84 117.35 111.99 2x3v s TYR 74 Ca 0.54 -1.18 0.00 0.00 -0.52 0.00 0.00 57.07 55.90 2x3v s TYR 74 Cb -0.46 -0.37 0.00 0.00 0.38 0.00 0.00 41.96 41.51 2x3v s TYR 74 CO 0.60 -0.68 0.00 0.41 -1.52 0.00 0.00 175.55 174.36 2x3v n GLY 75 N -0.25 -0.99 0.16 5.49 0.00 -1.26 -3.13 105.19 105.22 2x3v n GLY 75 Ca -0.01 -1.22 -0.00 0.00 0.00 0.00 0.00 46.02 44.79 2x3v n GLY 75 CO 0.00 0.00 0.00 1.48 0.00 0.00 0.00 173.32 174.80 2x3v h SER 76 N 3.59 0.04 0.22 1.61 4.64 -1.96 -2.72 113.55 118.98 2x3v h SER 76 Ca 0.00 -0.02 -0.10 0.00 -0.47 0.00 0.00 61.79 61.20 2x3v h SER 76 Cb 0.00 -0.01 -0.01 0.00 -0.31 0.00 0.00 62.40 62.07 2x3v h SER 76 CO 0.00 0.53 -0.39 -0.07 -0.87 0.00 0.00 176.83 176.03 2x3v h LEU 77 N 0.03 0.25 -0.27 5.97 -0.00 -1.88 0.16 115.31 119.57 2x3v h LEU 77 Ca -0.00 -0.10 0.00 0.00 -0.00 0.00 0.00 57.88 57.78 2x3v h LEU 77 Cb 0.89 -0.07 -0.01 0.00 -0.00 0.00 0.00 40.66 41.47 2x3v h LEU 77 CO 0.07 0.62 0.18 -0.08 -0.00 0.00 0.00 178.44 179.23 2x3v h GLU 78 N 0.20 0.36 -0.24 1.13 4.81 -1.43 -0.70 114.58 118.71 2x3v h GLU 78 Ca 0.02 -0.02 -0.13 0.00 -0.13 0.00 0.00 59.36 59.10 2x3v h GLU 78 Cb 0.79 -0.08 -0.01 0.00 0.63 0.00 0.00 28.75 30.08 2x3v h GLU 78 CO 0.06 0.24 -0.38 0.00 -0.73 0.00 0.00 179.01 178.20 2x3v h ARG 79 N 0.37 0.55 0.15 1.92 3.08 -1.31 0.10 114.38 119.24 2x3v h ARG 79 Ca 0.10 -0.27 -0.01 0.00 0.07 0.00 0.00 59.98 59.88 2x3v h ARG 79 Cb -0.04 -0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.01 2x3v h ARG 79 CO -0.02 0.84 -0.07 0.00 -1.07 0.00 0.00 179.97 179.65 2x3v h ALA 80 N 1.13 -0.20 -0.85 0.04 0.00 -0.40 0.87 119.26 119.85 2x3v h ALA 80 Ca 0.04 -0.05 -0.00 0.00 0.00 0.00 0.00 54.91 54.90 2x3v h ALA 80 Cb 0.86 0.08 -0.04 0.00 0.00 0.00 0.00 17.79 18.69 2x3v h ALA 80 CO 0.07 -0.61 0.52 2.35 0.00 0.00 0.00 179.25 181.58 2x3v h TRP 81 N -0.21 1.11 -0.76 0.00 7.01 -1.04 -0.89 115.95 121.18 2x3v h TRP 81 Ca -0.02 0.00 0.16 0.00 2.11 0.00 0.00 58.89 61.14 2x3v h TRP 81 Cb 0.16 -0.37 -0.05 0.00 -2.10 0.00 0.00 29.16 26.81 2x3v h TRP 81 CO -0.07 0.74 0.51 0.78 -2.79 0.00 0.00 178.44 177.61 2x3v h GLY 82 N 1.16 0.62 2.00 2.65 0.00 -0.32 -1.97 103.07 107.21 2x3v h GLY 82 Ca 0.30 -0.15 -0.01 0.00 0.00 0.00 0.00 47.33 47.48 2x3v h GLY 82 CO -0.06 0.04 -0.03 0.00 0.00 0.00 0.00 176.54 176.49 2x3v h ALA 83 N 1.65 1.30 -0.51 3.60 0.00 0.65 -1.64 119.26 124.31 2x3v h ALA 83 Ca 0.37 -0.03 -0.07 0.00 0.00 0.00 0.00 54.91 55.18 2x3v h ALA 83 Cb 0.95 -0.00 -0.02 0.00 0.00 0.00 0.00 17.79 18.71 2x3v h ALA 83 CO -0.11 0.04 0.03 0.52 0.00 0.00 0.00 179.25 179.73 2x3v h MET 84 N 0.00 0.83 -0.04 0.00 2.07 -1.41 -2.44 114.93 113.94 2x3v h MET 84 Ca -0.00 -0.21 -0.13 0.00 -2.07 0.00 0.00 59.70 57.29 2x3v h MET 84 Cb 0.11 -0.10 -0.01 0.00 -1.87 0.00 0.00 31.60 29.73 2x3v h MET 84 CO 0.00 0.81 -0.55 0.52 1.07 0.00 0.00 176.91 178.77 2x3v h MET 85 N 0.78 0.11 -0.03 1.72 2.86 -1.44 -2.43 114.93 116.51 2x3v h MET 85 Ca 0.16 -0.07 -0.18 0.00 -2.06 0.00 0.00 59.70 57.54 2x3v h MET 85 Cb 0.43 0.01 -0.01 0.00 0.06 0.00 0.00 31.60 32.09 2x3v h MET 85 CO 0.02 0.64 -0.78 1.79 1.06 0.00 0.00 176.91 179.63 2x3v h THR 86 N 0.09 1.44 -0.74 2.22 1.35 -1.50 -1.90 112.91 113.87 2x3v h THR 86 Ca -0.00 -2.35 -0.06 0.00 -0.55 0.00 0.00 66.41 63.45 2x3v h THR 86 Cb 1.00 2.27 -0.03 0.00 -1.73 0.00 0.00 68.15 69.66 2x3v h THR 86 CO 0.08 0.69 0.24 1.05 -0.25 0.00 0.00 175.52 177.33 2x3v h GLU 87 N 0.17 1.13 -0.66 4.72 -0.00 -1.25 -0.70 114.58 117.98 2x3v h GLU 87 Ca -0.03 -0.23 -0.01 0.00 -0.00 0.00 0.00 59.36 59.09 2x3v h GLU 87 Cb 1.37 -0.17 -0.03 0.00 -0.00 0.00 0.00 28.75 29.92 2x3v h GLU 87 CO 0.12 0.95 0.38 0.00 -0.00 0.00 0.00 179.01 180.46 2x3v h ALA 88 N 1.17 0.85 -0.72 1.06 0.00 -1.34 0.13 119.26 120.41 2x3v h ALA 88 Ca 0.24 -0.10 -0.01 0.00 0.00 0.00 0.00 54.91 55.04 2x3v h ALA 88 Cb 0.28 -0.27 -0.03 0.00 0.00 0.00 0.00 17.79 17.77 2x3v h ALA 88 CO -0.01 0.35 0.41 -0.44 0.00 0.00 0.00 179.25 179.56 2x3v h ASP 89 N 0.90 0.88 -0.18 0.00 3.45 -1.04 0.17 116.42 120.61 2x3v h ASP 89 Ca 0.23 -0.08 -0.17 0.00 0.43 0.00 0.00 57.03 57.45 2x3v h ASP 89 Cb 0.02 -0.22 -0.00 0.00 -0.56 0.00 0.00 39.33 38.56 2x3v h ASP 89 CO -0.04 0.71 -0.49 0.11 -1.57 0.00 0.00 179.24 177.96 2x3v h LYS 90 N 0.99 0.75 -0.30 3.56 1.79 -0.67 -0.08 116.57 122.61 2x3v h LYS 90 Ca 0.26 -0.44 -0.18 0.00 -2.18 0.00 0.00 60.65 58.10 2x3v h LYS 90 Cb 0.00 0.04 -0.00 0.00 -1.58 0.00 0.00 32.23 30.69 2x3v h LYS 90 CO -0.04 1.07 -0.53 0.28 -1.08 0.00 0.00 179.45 179.14 2x3v h VAL 91 N 0.59 1.27 -0.06 0.50 2.07 -0.68 -1.87 116.25 118.07 2x3v h VAL 91 Ca 0.03 -1.72 0.03 0.00 0.82 0.00 0.00 66.70 65.86 2x3v h VAL 91 Cb 1.06 1.61 -0.03 0.00 -1.52 0.00 0.00 31.29 32.41 2x3v h VAL 91 CO 0.10 0.56 -0.09 -1.28 0.02 0.00 0.00 177.57 176.89 2x3v h SER 92 N 0.68 -0.28 -0.81 0.57 0.87 -0.52 -1.62 113.55 112.45 2x3v h SER 92 Ca 0.02 0.05 0.13 0.00 -1.23 0.00 0.00 61.79 60.76 2x3v h SER 92 Cb 1.14 0.13 -0.09 0.00 -0.44 0.00 0.00 62.40 63.14 2x3v h SER 92 CO 0.12 -0.13 0.40 -0.08 -0.53 0.00 0.00 176.83 176.62 2x3v h GLU 93 N -0.13 0.59 -0.60 2.24 4.81 -0.92 0.12 114.58 120.70 2x3v h GLU 93 Ca 0.06 -0.04 -0.09 0.00 -0.13 0.00 0.00 59.36 59.16 2x3v h GLU 93 Cb 0.21 -0.13 -0.02 0.00 0.63 0.00 0.00 28.75 29.43 2x3v h GLU 93 CO -0.14 0.39 0.02 -0.07 -0.73 0.00 0.00 179.01 178.49 2x3v h LEU 94 N 0.61 1.02 -0.79 1.64 3.38 -0.92 -1.63 115.31 118.62 2x3v h LEU 94 Ca 0.43 -0.30 -0.12 0.00 0.09 0.00 0.00 57.88 57.98 2x3v h LEU 94 Cb 0.56 -0.27 -0.02 0.00 0.09 0.00 0.00 40.66 41.02 2x3v h LEU 94 CO -0.34 1.07 -0.59 0.45 0.09 0.00 0.00 178.44 179.12 2x3v h HIS 95 N 0.95 0.00 -0.24 1.13 3.86 -0.51 -1.75 115.15 118.59 2x3v h HIS 95 Ca 0.17 0.00 -0.05 0.00 -1.16 0.00 0.00 60.37 59.33 2x3v h HIS 95 Cb 0.53 0.00 -0.01 0.00 1.06 0.00 0.00 27.41 28.99 2x3v h HIS 95 CO 0.04 0.59 -0.09 1.96 0.86 0.00 0.00 177.93 181.29 2x3v h GLN 96 N 0.00 0.38 -0.30 2.45 1.08 -0.78 -1.72 115.11 116.22 2x3v h GLN 96 Ca -0.01 -0.09 -0.15 0.00 -1.45 0.00 0.00 58.65 56.95 2x3v h GLN 96 Cb 1.07 -0.05 -0.01 0.00 -0.05 0.00 0.00 27.48 28.44 2x3v h GLN 96 CO 0.08 0.48 -0.42 0.93 -0.95 0.00 0.00 178.83 178.95 2x3v h GLU 97 N 0.36 0.74 0.07 1.46 5.08 -0.63 0.32 114.58 121.99 2x3v h GLU 97 Ca 0.07 -0.40 0.01 0.00 -1.00 0.00 0.00 59.36 58.05 2x3v h GLU 97 Cb 0.39 0.02 -0.02 0.00 0.50 0.00 0.00 28.75 29.64 2x3v h GLU 97 CO 0.02 1.02 -0.12 0.28 -1.00 0.00 0.00 179.01 179.21 2x3v h VAL 98 N 0.60 0.72 -0.15 3.13 2.07 -1.15 -0.04 116.25 121.44 2x3v h VAL 98 Ca 0.05 0.00 0.05 0.00 0.82 0.00 0.00 66.70 67.61 2x3v h VAL 98 Cb 0.97 0.72 -0.07 0.00 -1.52 0.00 0.00 31.29 31.40 2x3v h VAL 98 CO 0.09 0.00 -0.35 0.50 0.02 0.00 0.00 177.57 177.83 2x3v h LYS 99 N -0.24 -0.40 -0.78 1.57 3.64 -1.19 -0.19 116.57 118.98 2x3v h LYS 99 Ca 0.02 0.03 0.11 0.00 -1.27 0.00 0.00 60.65 59.54 2x3v h LYS 99 Cb 0.25 0.09 -0.08 0.00 -0.41 0.00 0.00 32.23 32.08 2x3v h LYS 99 CO -0.06 -0.27 0.40 -0.91 -2.27 0.00 0.00 179.45 176.34 2x3v h ASN 100 N -0.41 0.50 -0.01 4.20 2.35 -0.70 -1.25 115.58 120.25 2x3v h ASN 100 Ca 0.10 0.07 -0.00 0.00 -0.55 0.00 0.00 56.30 55.91 2x3v h ASN 100 Cb 0.57 -0.01 -0.00 0.00 0.05 0.00 0.00 38.32 38.93 2x3v h ASN 100 CO -0.38 0.26 -0.01 0.28 -1.65 0.00 0.00 177.43 175.93 2x3v h SER 101 N 0.63 0.03 -0.54 5.81 0.02 -0.52 0.39 113.55 119.37 2x3v h SER 101 Ca 0.40 -0.45 0.10 0.00 -0.84 0.00 0.00 61.79 61.00 2x3v h SER 101 Cb 0.48 -0.01 -0.11 0.00 0.14 0.00 0.00 62.40 62.90 2x3v h SER 101 CO -0.31 0.47 -0.31 -0.07 -1.14 0.00 0.00 176.83 175.48 2x3v h LEU 102 N -0.41 -1.07 0.00 5.07 4.07 -0.78 -0.53 115.31 121.65 2x3v h LEU 102 Ca 0.00 0.21 -0.03 0.00 0.08 0.00 0.00 57.88 58.15 2x3v h LEU 102 Cb 0.46 0.54 0.00 0.00 1.08 0.00 0.00 40.66 42.74 2x3v h LEU 102 CO 0.00 -0.30 -0.10 -0.07 -1.08 0.00 0.00 178.44 176.89 2x3v h LEU 103 N -0.17 0.09 0.00 1.67 3.38 -1.16 0.11 115.31 119.23 2x3v h LEU 103 Ca 0.22 -0.79 -0.20 0.00 0.09 0.00 0.00 57.88 57.20 2x3v h LEU 103 Cb 0.54 -0.03 -0.03 0.00 0.09 0.00 0.00 40.66 41.23 2x3v h LEU 103 CO -0.64 0.87 -1.03 0.78 0.09 0.00 0.00 178.44 178.51 2x3v h ASN 104 N -0.68 0.00 0.00 -0.43 2.35 -0.18 -3.21 115.58 113.43 2x3v h ASN 104 Ca -0.01 0.00 0.00 0.00 -0.55 0.00 0.00 56.30 55.74 2x3v h ASN 104 Cb 0.89 0.00 0.00 0.00 0.05 0.00 0.00 38.32 39.26 2x3v h ASN 104 CO 0.02 0.90 -0.68 -0.62 -1.65 0.00 0.00 177.43 175.41 2x3v n GLU 105 N -3.27 0.36 0.09 0.81 1.02 -0.25 -4.54 120.64 114.85 2x3v n GLU 105 Ca -0.02 0.14 -0.12 0.00 -0.02 0.00 0.00 57.16 57.14 2x3v n GLU 105 Cb 0.92 -1.12 -0.08 0.00 -0.02 0.00 0.00 31.44 31.14 2x3v n GLU 105 CO 0.00 0.00 0.00 -0.44 1.18 0.00 0.00 177.13 177.87 2x3v h ASP 106 N -0.68 -0.23 -0.26 1.62 3.32 -1.36 0.55 116.42 119.38 2x3v h ASP 106 Ca 0.00 -0.30 0.06 0.00 0.02 0.00 0.00 57.03 56.82 2x3v h ASP 106 Cb 0.68 0.06 -0.07 0.00 0.22 0.00 0.00 39.33 40.22 2x3v h ASP 106 CO 0.00 0.25 -0.18 0.25 -1.72 0.00 0.00 179.24 177.84 2x3v h LEU 107 N -0.80 -0.59 -1.14 1.55 7.12 -1.10 -1.53 115.31 118.80 2x3v h LEU 107 Ca -0.03 0.12 -0.02 0.00 0.13 0.00 0.00 57.88 58.08 2x3v h LEU 107 Cb 0.51 0.30 -0.03 0.00 -0.53 0.00 0.00 40.66 40.92 2x3v h LEU 107 CO 0.05 -0.22 0.31 -0.33 -0.13 0.00 0.00 178.44 178.12 2x3v h GLU 108 N -0.17 0.91 -0.74 1.25 4.39 -1.55 0.64 114.58 119.32 2x3v h GLU 108 Ca 0.14 -0.12 -0.03 0.00 0.34 0.00 0.00 59.36 59.70 2x3v h GLU 108 Cb 0.39 -0.17 -0.03 0.00 -0.10 0.00 0.00 28.75 28.83 2x3v h GLU 108 CO -0.36 0.70 0.35 -0.22 -1.16 0.00 0.00 179.01 178.32 2x3v h LYS 109 N 0.91 1.07 -0.28 2.33 3.64 -0.34 -0.69 116.57 123.21 2x3v h LYS 109 Ca 0.22 -0.16 -0.10 0.00 -1.27 0.00 0.00 60.65 59.35 2x3v h LYS 109 Cb 0.09 -0.19 -0.01 0.00 -0.41 0.00 0.00 32.23 31.71 2x3v h LYS 109 CO -0.03 0.83 -0.21 0.28 -2.27 0.00 0.00 179.45 178.05 2x3v h VAL 110 N 1.04 1.30 -0.66 2.00 2.07 -0.76 -2.25 116.25 119.00 2x3v h VAL 110 Ca 0.25 -1.35 0.05 0.00 0.82 0.00 0.00 66.70 66.47 2x3v h VAL 110 Cb 0.12 1.57 -0.05 0.00 -1.52 0.00 0.00 31.29 31.41 2x3v h VAL 110 CO -0.03 0.43 0.37 0.50 0.02 0.00 0.00 177.57 178.86 2x3v h LYS 111 N 0.37 0.68 -0.14 1.57 3.64 -0.64 -1.71 116.57 120.35 2x3v h LYS 111 Ca 0.05 -0.04 -0.23 0.00 -1.27 0.00 0.00 60.65 59.16 2x3v h LYS 111 Cb 0.76 -0.15 0.01 0.00 -0.41 0.00 0.00 32.23 32.44 2x3v h LYS 111 CO 0.06 0.45 -0.81 -0.91 -2.27 0.00 0.00 179.45 175.97 2x3v h ASN 112 N 0.70 0.93 -0.91 4.20 2.35 -1.14 -2.46 115.58 119.25 2x3v h ASN 112 Ca 0.29 -0.62 -0.01 0.00 -0.55 0.00 0.00 56.30 55.40 2x3v h ASN 112 Cb 0.14 -0.27 -0.04 0.00 0.05 0.00 0.00 38.32 38.20 2x3v h ASN 112 CO -0.16 1.42 0.51 -0.25 -1.65 0.00 0.00 177.43 177.30 2x3v h TRP 113 N 0.52 1.24 -0.62 1.19 7.01 -1.28 -2.25 115.95 121.75 2x3v h TRP 113 Ca -0.06 -0.02 -0.04 0.00 2.11 0.00 0.00 58.89 60.88 2x3v h TRP 113 Cb 1.44 -0.40 -0.03 0.00 -2.10 0.00 0.00 29.16 28.07 2x3v h TRP 113 CO 0.09 0.85 0.24 0.37 -2.79 0.00 0.00 178.44 177.20 2x3v h GLN 114 N 1.27 0.91 -0.54 2.65 4.15 -1.25 -1.54 115.11 120.77 2x3v h GLN 114 Ca 0.32 -0.15 -0.12 0.00 0.77 0.00 0.00 58.65 59.48 2x3v h GLN 114 Cb 0.00 -0.16 -0.02 0.00 0.21 0.00 0.00 27.48 27.52 2x3v h GLN 114 CO -0.05 0.75 -0.13 -0.22 -1.93 0.00 0.00 178.83 177.25 2x3v h LYS 115 N 0.90 1.04 0.00 1.69 3.64 -0.99 -0.79 116.57 122.06 2x3v h LYS 115 Ca 0.21 -0.40 0.00 0.00 -1.27 0.00 0.00 60.65 59.20 2x3v h LYS 115 Cb 0.18 -0.06 0.00 0.00 -0.41 0.00 0.00 32.23 31.94 2x3v h LYS 115 CO -0.02 1.09 -0.18 -0.44 -2.27 0.00 0.00 179.45 177.63 2x3v h ASP 116 N 0.92 0.00 0.00 4.20 5.19 -1.25 -3.36 116.42 122.12 2x3v h ASP 116 Ca 0.14 -0.06 -0.36 0.00 -0.62 0.00 0.00 57.03 56.13 2x3v h ASP 116 Cb 0.70 0.00 -0.07 0.00 0.18 0.00 0.00 39.33 40.15 2x3v h ASP 116 CO 0.05 0.03 -2.35 0.00 -3.12 0.00 0.00 179.24 173.85 2x3v n ALA 117 N -1.83 1.50 -4.06 3.45 0.00 -0.59 -4.91 120.51 114.07 2x3v n ALA 117 Ca 0.05 -1.18 -0.32 0.00 0.00 0.00 0.00 53.44 51.99 2x3v n ALA 117 Cb 0.44 -0.12 -0.15 0.00 0.00 0.00 0.00 19.45 19.62 2x3v n ALA 117 CO 0.00 0.00 0.00 0.71 0.00 0.00 0.00 177.50 178.21 2x3v s TYR 118 N -2.47 3.13 -0.22 0.00 2.02 -0.32 -4.91 117.35 114.58 2x3v s TYR 118 Ca -0.19 -2.19 -0.06 0.00 -0.37 0.00 0.00 57.07 54.26 2x3v s TYR 118 Cb 0.07 -1.90 -0.02 0.00 -0.40 0.00 0.00 41.96 39.71 2x3v s TYR 118 CO 0.70 -0.86 0.02 -1.01 -1.57 0.00 0.00 175.55 172.83 2x3v s HIS 119 N 1.15 3.05 0.38 2.71 3.76 -1.26 -4.69 115.29 120.40 2x3v s HIS 119 Ca -0.07 -0.50 -0.24 0.00 -0.15 0.00 0.00 55.06 54.10 2x3v s HIS 119 Cb -0.19 -2.14 -0.10 0.00 1.11 0.00 0.00 32.58 31.26 2x3v s HIS 119 CO -0.06 -0.32 0.99 0.21 -0.85 0.00 0.00 174.74 174.71 2x3v s LYS 120 N 1.27 4.30 0.00 1.40 2.20 -1.26 -1.11 119.74 126.54 2x3v s LYS 120 Ca 0.04 1.35 0.00 0.00 -0.36 0.00 0.00 55.97 57.00 2x3v s LYS 120 Cb -0.15 -2.53 0.00 0.00 -1.51 0.00 0.00 37.83 33.65 2x3v s LYS 120 CO 0.02 0.01 0.00 0.00 -0.36 0.00 0.00 175.35 175.02 2x3v n GLN 121 N -0.03 2.60 0.00 4.03 10.64 -1.16 -4.79 117.38 128.68 2x3v n GLN 121 Ca 0.05 0.00 0.00 0.00 -1.83 0.00 0.00 57.00 55.22 2x3v n GLN 121 Cb 0.51 0.00 0.00 0.00 -0.86 0.00 0.00 30.24 29.89 2x3v n GLN 121 CO 0.00 0.00 0.00 0.44 -1.83 0.00 0.00 177.06 175.67 2x3v n ILE 122 N -0.20 0.00 -2.90 -0.39 -5.35 -1.26 -3.62 119.36 105.64 2x3v n ILE 122 Ca 0.00 1.33 -0.05 0.00 -0.27 0.00 0.00 62.75 63.76 2x3v n ILE 122 Cb 0.00 -1.92 0.01 0.00 -1.74 0.00 0.00 39.64 35.99 2x3v n ILE 122 CO 0.00 0.00 0.00 0.80 -1.76 0.00 0.00 176.55 175.59 2x3v n MET 123 N -2.17 -2.57 0.00 6.28 0.00 -1.26 -5.16 117.12 112.24 2x3v n MET 123 Ca 0.00 2.19 0.00 0.00 0.00 0.00 0.00 57.70 59.89 2x3v n MET 123 Cb 0.00 -4.47 0.00 0.00 0.00 0.00 0.00 33.22 28.75 2x3v n MET 123 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 175.97 176.38 2x3v n GLY 124 N 0.47 -1.96 0.00 -5.12 0.00 -1.24 -4.89 105.19 92.46 2x3v n GLY 124 Ca 0.02 -1.44 0.00 0.00 0.00 0.00 0.00 46.02 44.60 2x3v n GLY 124 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2x3v n GLY 125 N 2.87 -0.75 3.21 -0.02 0.00 -1.26 -4.87 105.19 104.36 2x3v n GLY 125 Ca 0.00 0.00 -0.19 0.00 0.00 0.00 0.00 46.02 45.83 2x3v n GLY 125 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 2x3v s PHE 126 N -0.20 1.34 0.40 1.61 0.40 -1.26 -2.97 117.98 117.30 2x3v s PHE 126 Ca 0.00 -0.48 0.09 0.00 -0.60 0.00 0.00 56.93 55.93 2x3v s PHE 126 Cb 0.00 -0.74 0.82 0.00 0.51 0.00 0.00 43.02 43.62 2x3v s PHE 126 CO 0.00 0.10 1.97 0.87 0.70 0.00 0.00 175.22 178.86 2x3v h LYS 127 N 4.04 0.33 -0.58 0.44 1.57 -1.43 -1.90 116.57 119.04 2x3v h LYS 127 Ca -0.41 -0.05 -0.11 0.00 -1.87 0.00 0.00 60.65 58.21 2x3v h LYS 127 Cb 1.19 -0.06 -0.02 0.00 0.08 0.00 0.00 32.23 33.43 2x3v h LYS 127 CO 0.43 0.36 -0.06 0.93 -0.57 0.00 0.00 179.45 180.54 2x3v h GLU 128 N 0.32 1.06 -0.46 3.15 3.07 -1.91 0.45 114.58 120.26 2x3v h GLU 128 Ca 0.07 -0.37 -0.13 0.00 -0.50 0.00 0.00 59.36 58.43 2x3v h GLU 128 Cb 0.23 -0.08 -0.01 0.00 -0.84 0.00 0.00 28.75 28.05 2x3v h GLU 128 CO 0.01 1.07 -0.24 1.15 -1.40 0.00 0.00 179.01 179.60 2x3v h THR 129 N 0.95 1.27 0.16 1.13 2.02 -1.85 -3.04 112.91 113.55 2x3v h THR 129 Ca 0.16 -1.40 -0.01 0.00 0.77 0.00 0.00 66.41 65.93 2x3v h THR 129 Cb 0.63 1.16 0.00 0.00 -1.74 0.00 0.00 68.15 68.20 2x3v h THR 129 CO 0.04 0.48 -0.08 0.50 0.37 0.00 0.00 175.52 176.84 2x3v h LYS 130 N 0.83 -0.21 -0.26 6.66 1.63 -1.00 -1.75 116.57 122.47 2x3v h LYS 130 Ca 0.10 0.01 0.06 0.00 -0.85 0.00 0.00 60.65 59.98 2x3v h LYS 130 Cb 0.81 0.05 -0.08 0.00 -0.60 0.00 0.00 32.23 32.41 2x3v h LYS 130 CO 0.07 -0.12 -0.33 0.93 -3.45 0.00 0.00 179.45 176.54 2x3v h GLU 131 N -0.23 -0.32 -0.57 1.90 4.39 -0.95 -1.11 114.58 117.69 2x3v h GLU 131 Ca -0.02 0.02 0.03 0.00 0.34 0.00 0.00 59.36 59.73 2x3v h GLU 131 Cb 0.18 0.07 -0.04 0.00 -0.10 0.00 0.00 28.75 28.86 2x3v h GLU 131 CO 0.04 -0.21 0.33 0.00 -1.16 0.00 0.00 179.01 178.01 2x3v h ALA 132 N 0.55 0.74 0.17 3.43 0.00 -1.47 0.46 119.26 123.15 2x3v h ALA 132 Ca 0.13 -0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.04 2x3v h ALA 132 Cb 0.55 -0.14 -0.03 0.00 0.00 0.00 0.00 17.79 18.16 2x3v h ALA 132 CO -0.44 0.04 -0.38 0.93 0.00 0.00 0.00 179.25 179.40 2x3v h GLU 133 N 0.65 -0.58 -0.65 0.00 4.39 -0.60 -0.72 114.58 117.08 2x3v h GLU 133 Ca 0.24 0.04 0.10 0.00 0.34 0.00 0.00 59.36 60.08 2x3v h GLU 133 Cb 0.07 0.13 -0.07 0.00 -0.10 0.00 0.00 28.75 28.77 2x3v h GLU 133 CO -0.12 -0.38 0.27 -0.44 -1.16 0.00 0.00 179.01 177.17 2x3v h ASP 134 N -0.60 0.29 -0.14 1.42 3.45 -1.05 0.63 116.42 120.42 2x3v h ASP 134 Ca -0.02 0.08 0.05 0.00 0.43 0.00 0.00 57.03 57.57 2x3v h ASP 134 Cb 0.57 0.04 -0.06 0.00 -0.56 0.00 0.00 39.33 39.32 2x3v h ASP 134 CO -0.16 0.16 -0.33 1.23 -1.57 0.00 0.00 179.24 178.58 2x3v h GLY 135 N 0.46 -0.44 0.98 2.75 0.00 -0.62 0.16 103.07 106.36 2x3v h GLY 135 Ca 0.33 0.40 -0.02 0.00 0.00 0.00 0.00 47.33 48.04 2x3v h GLY 135 CO -0.30 -0.22 0.25 0.74 0.00 0.00 0.00 176.54 177.00 2x3v h PHE 136 N -0.39 0.74 -0.08 5.60 0.05 -0.41 -0.32 116.94 122.12 2x3v h PHE 136 Ca 0.10 -0.03 0.04 0.00 3.82 0.00 0.00 57.97 61.89 2x3v h PHE 136 Cb 0.55 -0.23 -0.05 0.00 2.00 0.00 0.00 35.95 38.22 2x3v h PHE 136 CO -0.42 0.58 -0.25 0.00 -0.18 0.00 0.00 178.31 178.04 2x3v h ARG 137 N 0.68 -0.33 -0.39 1.51 3.08 -0.61 -1.82 114.38 116.50 2x3v h ARG 137 Ca 0.18 0.02 0.02 0.00 0.07 0.00 0.00 59.98 60.27 2x3v h ARG 137 Cb 0.11 0.08 -0.03 0.00 0.08 0.00 0.00 29.97 30.21 2x3v h ARG 137 CO -0.02 -0.22 0.21 -0.22 -1.07 0.00 0.00 179.97 178.64 2x3v h LYS 138 N -0.35 0.41 0.00 0.04 3.64 -0.47 0.19 116.57 120.04 2x3v h LYS 138 Ca 0.09 -0.02 -0.03 0.00 -1.27 0.00 0.00 60.65 59.41 2x3v h LYS 138 Cb 0.47 -0.09 -0.00 0.00 -0.41 0.00 0.00 32.23 32.19 2x3v h LYS 138 CO -0.28 0.27 -0.15 0.00 -2.27 0.00 0.00 179.45 177.02 2x3v h ALA 139 N 1.19 1.23 0.00 5.00 0.00 -0.93 -3.15 119.26 122.60 2x3v h ALA 139 Ca 0.16 -0.14 0.00 0.00 0.00 0.00 0.00 54.91 54.93 2x3v h ALA 139 Cb 0.05 -0.02 0.00 0.00 0.00 0.00 0.00 17.79 17.81 2x3v h ALA 139 CO -0.10 0.19 -0.95 0.94 0.00 0.00 0.00 179.25 179.34 2x3v n GLN 140 N -3.61 1.42 0.10 0.00 7.27 -0.70 -4.68 117.38 117.18 2x3v n GLN 140 Ca -0.01 -0.03 -0.12 0.00 0.07 0.00 0.00 57.00 56.91 2x3v n GLN 140 Cb 0.29 -1.29 -0.05 0.00 2.41 0.00 0.00 30.24 31.59 2x3v n GLN 140 CO 0.00 0.00 0.00 -0.22 0.07 0.00 0.00 177.06 176.91 2x3v h LYS 141 N 0.00 -0.40 -0.59 3.69 3.64 -0.60 0.15 116.57 122.47 2x3v h LYS 141 Ca 0.00 0.03 -0.01 0.00 -1.27 0.00 0.00 60.65 59.40 2x3v h LYS 141 Cb 0.45 0.09 -0.03 0.00 -0.41 0.00 0.00 32.23 32.33 2x3v h LYS 141 CO 0.00 -0.26 0.33 -1.35 -2.27 0.00 0.00 179.45 175.90 2x3v h PRO 142 N -0.41 0.81 0.07 1.90 0.11 -1.83 -2.18 132.00 130.47 2x3v h PRO 142 Ca 0.04 -0.09 0.02 0.00 0.11 0.00 0.00 66.00 66.08 2x3v h PRO 142 Cb 0.45 -0.16 -0.03 0.00 0.11 0.00 0.00 31.00 31.36 2x3v h PRO 142 CO -0.15 0.61 -0.22 2.35 -0.21 0.00 0.00 178.00 180.38 2x3v h TRP 143 N 0.80 -0.58 -0.64 0.65 2.91 -1.78 -1.31 115.95 116.00 2x3v h TRP 143 Ca 0.21 0.01 0.10 0.00 1.13 0.00 0.00 58.89 60.34 2x3v h TRP 143 Cb 0.02 0.25 -0.07 0.00 -0.51 0.00 0.00 29.16 28.85 2x3v h TRP 143 CO -0.01 -0.31 0.25 0.00 -1.03 0.00 0.00 178.44 177.33 2x3v h ALA 144 N 0.43 0.84 -0.61 2.65 0.00 -0.44 0.26 119.26 122.40 2x3v h ALA 144 Ca 0.04 0.08 -0.00 0.00 0.00 0.00 0.00 54.91 55.03 2x3v h ALA 144 Cb 0.43 0.05 -0.03 0.00 0.00 0.00 0.00 17.79 18.24 2x3v h ALA 144 CO -0.15 -0.17 0.36 -0.22 0.00 0.00 0.00 179.25 179.06 2x3v h LYS 145 N 0.44 0.83 -0.50 0.00 3.64 -1.16 -2.12 116.57 117.70 2x3v h LYS 145 Ca 0.33 -0.08 -0.04 0.00 -1.27 0.00 0.00 60.65 59.59 2x3v h LYS 145 Cb 0.41 -0.17 -0.02 0.00 -0.41 0.00 0.00 32.23 32.03 2x3v h LYS 145 CO -0.31 0.60 0.16 -0.22 -2.27 0.00 0.00 179.45 177.41 2x3v h LYS 146 N 0.82 0.73 -0.24 1.90 1.63 0.03 -1.81 116.57 119.63 2x3v h LYS 146 Ca 0.22 -0.12 -0.13 0.00 -0.85 0.00 0.00 60.65 59.77 2x3v h LYS 146 Cb -0.01 -0.12 -0.01 0.00 -0.60 0.00 0.00 32.23 31.48 2x3v h LYS 146 CO -0.04 0.63 -0.38 0.52 -3.45 0.00 0.00 179.45 176.73 2x3v h MET 147 N 0.72 0.54 -0.61 1.90 2.86 -0.56 0.15 114.93 119.94 2x3v h MET 147 Ca 0.17 -0.26 -0.08 0.00 -2.06 0.00 0.00 59.70 57.46 2x3v h MET 147 Cb 0.20 -0.00 -0.02 0.00 0.06 0.00 0.00 31.60 31.84 2x3v h MET 147 CO -0.01 0.84 0.06 0.87 1.06 0.00 0.00 176.91 179.73 2x3v h LYS 148 N 0.45 1.03 -0.50 1.72 1.57 -1.05 -1.91 116.57 117.88 2x3v h LYS 148 Ca 0.04 -0.30 -0.08 0.00 -1.87 0.00 0.00 60.65 58.44 2x3v h LYS 148 Cb 0.87 -0.11 -0.02 0.00 0.08 0.00 0.00 32.23 33.05 2x3v h LYS 148 CO 0.07 0.98 -0.01 0.93 -0.57 0.00 0.00 179.45 180.85 2x3v h GLU 149 N 0.93 0.89 -0.36 3.15 5.08 -0.91 -1.88 114.58 121.48 2x3v h GLU 149 Ca 0.18 -0.29 0.07 0.00 -1.00 0.00 0.00 59.36 58.32 2x3v h GLU 149 Cb 0.48 -0.08 -0.07 0.00 0.50 0.00 0.00 28.75 29.58 2x3v h GLU 149 CO 0.02 0.93 -0.10 1.25 -1.00 0.00 0.00 179.01 180.11 2x3v h LEU 150 N 0.75 -0.36 -0.89 1.33 6.46 -0.64 0.47 115.31 122.43 2x3v h LEU 150 Ca 0.14 0.11 -0.04 0.00 -0.12 0.00 0.00 57.88 57.97 2x3v h LEU 150 Cb 0.53 0.23 -0.04 0.00 -0.73 0.00 0.00 40.66 40.66 2x3v h LEU 150 CO 0.03 -0.13 0.34 -0.08 -0.62 0.00 0.00 178.44 177.98 2x3v h GLU 151 N -0.01 1.14 -0.20 1.25 4.57 -1.09 0.13 114.58 120.38 2x3v h GLU 151 Ca 0.17 -0.19 -0.04 0.00 -1.18 0.00 0.00 59.36 58.13 2x3v h GLU 151 Cb 0.28 -0.20 -0.01 0.00 -0.16 0.00 0.00 28.75 28.66 2x3v h GLU 151 CO -0.37 0.91 -0.02 0.00 -1.18 0.00 0.00 179.01 178.34 2x3v h ALA 152 N 1.24 0.28 -0.49 2.92 0.00 -1.05 -2.58 119.26 119.59 2x3v h ALA 152 Ca 0.27 -0.23 -0.03 0.00 0.00 0.00 0.00 54.91 54.92 2x3v h ALA 152 Cb 0.17 -0.07 -0.02 0.00 0.00 0.00 0.00 17.79 17.86 2x3v h ALA 152 CO -0.03 0.02 0.18 0.00 0.00 0.00 0.00 179.25 179.42 2x3v h ALA 153 N 0.77 1.40 0.47 0.00 0.00 -0.59 -1.60 119.26 119.71 2x3v h ALA 153 Ca 0.06 -0.14 -0.02 0.00 0.00 0.00 0.00 54.91 54.80 2x3v h ALA 153 Cb 0.44 -0.20 0.00 0.00 0.00 0.00 0.00 17.79 18.03 2x3v h ALA 153 CO 0.01 0.45 -0.23 -0.22 0.00 0.00 0.00 179.25 179.27 2x3v h LYS 154 N 0.69 -0.61 -0.76 0.00 3.64 -0.65 -1.54 116.57 117.35 2x3v h LYS 154 Ca 0.17 0.04 0.02 0.00 -1.27 0.00 0.00 60.65 59.61 2x3v h LYS 154 Cb 0.17 0.14 -0.04 0.00 -0.41 0.00 0.00 32.23 32.08 2x3v h LYS 154 CO -0.01 -0.31 0.49 0.87 -2.27 0.00 0.00 179.45 178.22 2x3v h LYS 155 N -0.89 0.96 -0.40 1.90 1.57 -1.45 -0.89 116.57 117.37 2x3v h LYS 155 Ca -0.06 -0.06 0.08 0.00 -1.87 0.00 0.00 60.65 58.73 2x3v h LYS 155 Cb 0.58 -0.22 -0.07 0.00 0.08 0.00 0.00 32.23 32.61 2x3v h LYS 155 CO 0.11 0.63 -0.04 0.00 -0.57 0.00 0.00 179.45 179.58 2x3v h ALA 156 N 1.30 0.33 -0.36 3.86 0.00 -1.23 0.44 119.26 123.59 2x3v h ALA 156 Ca 0.29 0.13 0.04 0.00 0.00 0.00 0.00 54.91 55.37 2x3v h ALA 156 Cb -0.05 0.24 -0.04 0.00 0.00 0.00 0.00 17.79 17.93 2x3v h ALA 156 CO -0.08 -0.42 0.13 -0.92 0.00 0.00 0.00 179.25 177.96 2x3v h TYR 157 N 0.06 0.23 -0.43 0.00 -0.00 -0.70 -2.36 116.97 113.77 2x3v h TYR 157 Ca 0.19 0.02 -0.11 0.00 -0.00 0.00 0.00 58.73 58.83 2x3v h TYR 157 Cb 0.29 -0.05 -0.02 0.00 -0.00 0.00 0.00 36.73 36.95 2x3v h TYR 157 CO -0.30 0.10 -0.18 0.45 -0.00 0.00 0.00 178.16 178.23 2x3v h HIS 158 N 0.28 0.94 -0.02 -3.82 3.86 0.03 -1.49 115.15 114.94 2x3v h HIS 158 Ca 0.17 -0.20 -0.04 0.00 -1.16 0.00 0.00 60.37 59.14 2x3v h HIS 158 Cb 0.14 -0.23 -0.01 0.00 1.06 0.00 0.00 27.41 28.37 2x3v h HIS 158 CO -0.14 0.94 -0.16 1.25 0.86 0.00 0.00 177.93 180.69 2x3v h LEU 159 N 0.73 0.02 -0.10 2.43 5.85 -0.03 -0.16 115.31 124.06 2x3v h LEU 159 Ca 0.11 -0.00 -0.08 0.00 0.84 0.00 0.00 57.88 58.74 2x3v h LEU 159 Cb 0.70 -0.01 0.00 0.00 0.37 0.00 0.00 40.66 41.72 2x3v h LEU 159 CO 0.05 0.18 -0.25 0.00 -0.34 0.00 0.00 178.44 178.09 2x3v h ALA 160 N 1.82 0.16 -0.54 1.25 0.00 -1.06 -2.54 119.26 118.35 2x3v h ALA 160 Ca 0.00 -0.40 0.02 0.00 0.00 0.00 0.00 54.91 54.53 2x3v h ALA 160 Cb 0.29 -0.02 -0.03 0.00 0.00 0.00 0.00 17.79 18.03 2x3v h ALA 160 CO 0.02 0.15 0.36 0.00 0.00 0.00 0.00 179.25 179.78 2x3v h LYS 162 N 0.68 -0.05 -0.38 0.00 3.64 -1.08 -2.73 116.57 116.65 2x3v h LYS 162 Ca 0.21 0.00 0.06 0.00 -1.27 0.00 0.00 60.65 59.65 2x3v h LYS 162 Cb -0.01 0.01 -0.02 0.00 -0.41 0.00 0.00 32.23 31.80 2x3v h LYS 162 CO -0.05 0.47 0.26 0.93 -2.27 0.00 0.00 179.45 178.79 2x3v h GLU 163 N -0.59 0.25 -0.21 1.90 4.39 -1.22 -1.36 114.58 117.74 2x3v h GLU 163 Ca -0.01 -0.01 -0.19 0.00 0.34 0.00 0.00 59.36 59.49 2x3v h GLU 163 Cb 0.54 -0.06 0.00 0.00 -0.10 0.00 0.00 28.75 29.13 2x3v h GLU 163 CO 0.01 0.16 -0.61 1.49 -1.16 0.00 0.00 179.01 178.90 2x3v h GLU 164 N 0.26 0.72 -0.25 2.33 4.81 -1.21 -1.77 114.58 119.47 2x3v h GLU 164 Ca 0.17 -0.50 -0.09 0.00 -0.13 0.00 0.00 59.36 58.81 2x3v h GLU 164 Cb 0.35 0.07 -0.01 0.00 0.63 0.00 0.00 28.75 29.79 2x3v h GLU 164 CO -0.03 1.12 -0.24 -0.09 -0.73 0.00 0.00 179.01 179.03 2x3v h ARG 165 N 0.54 0.48 0.44 1.92 9.65 -0.97 -1.56 114.38 124.88 2x3v h ARG 165 Ca -0.01 -0.18 -0.02 0.00 -1.10 0.00 0.00 59.98 58.67 2x3v h ARG 165 Cb 1.21 -0.03 0.00 0.00 -1.39 0.00 0.00 29.97 29.76 2x3v h ARG 165 CO 0.13 0.70 -0.21 -0.07 2.80 0.00 0.00 179.97 183.31 2x3v h LEU 166 N 0.43 -0.50 -0.98 3.80 4.07 -1.26 -0.37 115.31 120.50 2x3v h LEU 166 Ca 0.06 -0.10 0.23 0.00 0.08 0.00 0.00 57.88 58.15 2x3v h LEU 166 Cb 0.66 0.13 -0.12 0.00 1.08 0.00 0.00 40.66 42.41 2x3v h LEU 166 CO 0.05 -0.11 0.56 0.00 -1.08 0.00 0.00 178.44 177.85 2x3v h ALA 167 N -0.67 1.69 -0.31 1.53 0.00 -1.28 0.26 119.26 120.47 2x3v h ALA 167 Ca -0.06 0.12 -0.05 0.00 0.00 0.00 0.00 54.91 54.92 2x3v h ALA 167 Cb 0.57 0.02 -0.01 0.00 0.00 0.00 0.00 17.79 18.37 2x3v h ALA 167 CO 0.10 -0.24 0.00 0.52 0.00 0.00 0.00 179.25 179.63 2x3v h MET 168 N 0.58 0.55 0.00 0.00 2.86 -1.30 -2.93 114.93 114.69 2x3v h MET 168 Ca 0.61 -0.18 -0.01 0.00 -2.06 0.00 0.00 59.70 58.07 2x3v h MET 168 Cb 1.12 -0.05 -0.00 0.00 0.06 0.00 0.00 31.60 32.73 2x3v h MET 168 CO -0.47 0.69 -0.05 1.15 1.06 0.00 0.00 176.91 179.29 2x3v h THR 169 N 0.35 0.85 -0.19 2.22 2.02 0.12 -0.04 112.91 118.25 2x3v h THR 169 Ca 0.09 -0.18 -0.16 0.00 0.77 0.00 0.00 66.41 66.93 2x3v h THR 169 Cb 0.44 1.10 -0.01 0.00 -1.74 0.00 0.00 68.15 67.95 2x3v h THR 169 CO 0.02 0.05 -0.53 -0.09 0.37 0.00 0.00 175.52 175.33 2x3v h ARG 170 N 0.00 0.55 -0.31 6.66 9.65 -0.93 -3.12 114.38 126.89 2x3v h ARG 170 Ca -0.00 -0.34 -0.02 0.00 -1.10 0.00 0.00 59.98 58.52 2x3v h ARG 170 Cb 0.10 0.04 -0.02 0.00 -1.39 0.00 0.00 29.97 28.70 2x3v h ARG 170 CO 0.01 0.95 0.12 0.93 2.80 0.00 0.00 179.97 184.78 2x3v h GLU 171 N 0.43 0.43 0.26 0.20 4.39 -0.83 0.33 114.58 119.79 2x3v h GLU 171 Ca 0.01 -0.05 -0.01 0.00 0.34 0.00 0.00 59.36 59.65 2x3v h GLU 171 Cb 1.07 -0.09 0.00 0.00 -0.10 0.00 0.00 28.75 29.64 2x3v h GLU 171 CO 0.10 0.36 -0.13 0.52 -1.16 0.00 0.00 179.01 178.71 2x3v h MET 172 N 0.43 -0.34 -0.01 2.33 2.86 -1.38 -3.24 114.93 115.59 2x3v h MET 172 Ca 0.11 0.02 0.00 0.00 -2.06 0.00 0.00 59.70 57.77 2x3v h MET 172 Cb 0.09 0.08 0.00 0.00 0.06 0.00 0.00 31.60 31.83 2x3v h MET 172 CO -0.01 -0.10 -0.23 0.27 1.06 0.00 0.00 176.91 177.89 2x3v n ASN 173 N -5.17 0.83 0.22 1.22 2.04 -1.15 -3.45 115.26 109.80 2x3v n ASN 173 Ca -0.10 -0.74 0.10 0.00 -0.44 0.00 0.00 54.58 53.40 2x3v n ASN 173 Cb 0.21 0.08 0.44 0.00 -2.53 0.00 0.00 39.78 37.98 2x3v n ASN 173 CO 0.00 0.00 0.00 -1.28 -0.44 0.00 0.00 177.26 175.54 2x3v h SER 174 N 0.94 0.00 0.07 0.53 0.87 -0.36 -3.17 113.55 112.43 2x3v h SER 174 Ca 0.00 0.00 -0.00 0.00 -1.23 0.00 0.00 61.79 60.56 2x3v h SER 174 Cb 0.47 0.00 0.00 0.00 -0.44 0.00 0.00 62.40 62.43 2x3v h SER 174 CO 0.00 0.22 -0.03 0.11 -0.53 0.00 0.00 176.83 176.59 2x3v h LYS 175 N 0.00 -0.09 -3.32 2.24 1.79 -1.60 -3.38 116.57 112.21 2x3v h LYS 175 Ca -0.00 0.01 -0.71 0.00 -2.18 0.00 0.00 60.65 57.77 2x3v h LYS 175 Cb 0.78 0.02 -0.35 0.00 -1.58 0.00 0.00 32.23 31.10 2x3v h LYS 175 CO 0.03 0.39 -0.08 0.99 -1.08 0.00 0.00 179.45 179.70 2x3v s THR 176 N -4.04 4.40 -0.04 -0.16 2.01 -1.22 -5.00 115.64 111.60 2x3v s THR 176 Ca -0.15 -3.86 -0.14 0.00 0.31 0.00 0.00 61.69 57.85 2x3v s THR 176 Cb 0.01 -3.73 0.02 0.00 0.01 0.00 0.00 72.50 68.82 2x3v s THR 176 CO 0.62 -1.09 0.31 -0.70 -0.69 0.00 0.00 174.62 173.07 2x3v s GLU 177 N -1.35 0.60 0.08 4.92 2.12 -1.20 -4.87 118.70 119.01 2x3v s GLU 177 Ca 0.27 -0.07 -0.30 0.00 0.36 0.00 0.00 54.97 55.23 2x3v s GLU 177 Cb -0.07 0.27 -0.14 0.00 0.26 0.00 0.00 34.13 34.45 2x3v s GLU 177 CO -0.12 -0.15 1.48 1.96 -0.54 0.00 0.00 175.26 177.88 2x3v h GLN 178 N 4.24 -0.72 -4.47 4.30 4.20 -1.94 -3.37 115.11 117.35 2x3v h GLN 178 Ca -0.29 0.05 -0.72 0.00 0.06 0.00 0.00 58.65 57.75 2x3v h GLN 178 Cb 1.18 0.16 -0.21 0.00 0.30 0.00 0.00 27.48 28.91 2x3v h GLN 178 CO 0.38 -0.48 -0.40 -1.12 -0.67 0.00 0.00 178.83 176.54 2x3v s SER 179 N -4.21 6.12 -0.31 1.46 0.01 -1.26 -5.01 113.70 110.50 2x3v s SER 179 Ca -0.15 -0.98 -0.03 0.00 1.31 0.00 0.00 55.95 56.10 2x3v s SER 179 Cb 0.04 -2.17 0.11 0.00 0.21 0.00 0.00 66.02 64.22 2x3v s SER 179 CO 0.52 -0.50 0.15 -0.69 0.41 0.00 0.00 173.24 173.13 2x3v s VAL 180 N 1.69 0.01 0.69 3.43 1.01 -1.26 -5.13 120.40 120.84 2x3v s VAL 180 Ca 0.05 -1.05 -0.11 0.00 0.00 0.00 0.00 61.98 60.87 2x3v s VAL 180 Cb -0.20 -1.03 0.01 0.00 0.00 0.00 0.00 36.38 35.15 2x3v s VAL 180 CO 0.09 -0.80 1.07 0.42 0.00 0.00 0.00 175.10 175.88 2x3v s THR 181 N 1.79 3.87 0.30 3.92 -4.23 -1.26 -4.97 115.64 115.07 2x3v s THR 181 Ca 0.12 0.61 0.13 0.00 -1.18 0.00 0.00 61.69 61.37 2x3v s THR 181 Cb -0.18 -3.51 0.06 0.00 1.34 0.00 0.00 72.50 70.21 2x3v s THR 181 CO -0.26 -0.80 1.74 -0.65 -0.54 0.00 0.00 174.62 174.11 2x3v h PRO 182 N -0.64 0.00 -0.41 3.99 0.11 -2.01 -2.95 132.00 130.09 2x3v h PRO 182 Ca -0.45 0.00 -0.04 0.00 0.11 0.00 0.00 66.00 65.62 2x3v h PRO 182 Cb 1.23 0.00 -0.02 0.00 0.11 0.00 0.00 31.00 32.32 2x3v h PRO 182 CO 0.61 0.46 0.09 0.93 -0.21 0.00 0.00 178.00 179.88 2x3v h GLU 183 N 0.00 0.66 -0.03 1.05 4.39 -2.00 -2.62 114.58 116.03 2x3v h GLU 183 Ca -0.00 -0.16 -0.24 0.00 0.34 0.00 0.00 59.36 59.29 2x3v h GLU 183 Cb 0.86 -0.08 0.01 0.00 -0.10 0.00 0.00 28.75 29.43 2x3v h GLU 183 CO 0.06 0.69 -0.94 -0.56 -1.16 0.00 0.00 179.01 177.10 2x3v h GLN 184 N 0.52 0.58 -0.47 2.33 3.07 -1.97 -2.18 115.11 116.99 2x3v h GLN 184 Ca 0.13 -0.58 0.05 0.00 0.09 0.00 0.00 58.65 58.33 2x3v h GLN 184 Cb 0.33 0.16 -0.03 0.00 0.08 0.00 0.00 27.48 28.02 2x3v h GLN 184 CO 0.00 1.20 0.32 1.96 0.09 0.00 0.00 178.83 182.40 2x3v h GLN 185 N 0.34 0.44 -0.07 0.06 4.20 -1.50 1.28 115.11 119.86 2x3v h GLN 185 Ca -0.09 -0.03 -0.10 0.00 0.06 0.00 0.00 58.65 58.49 2x3v h GLN 185 Cb 1.57 -0.10 0.01 0.00 0.30 0.00 0.00 27.48 29.26 2x3v h GLN 185 CO 0.18 0.29 -0.36 -0.22 -0.67 0.00 0.00 178.83 178.05 2x3v h LYS 186 N 0.45 0.36 -0.04 1.46 1.63 -1.46 -3.02 116.57 115.95 2x3v h LYS 186 Ca 0.20 -0.30 -0.06 0.00 -0.85 0.00 0.00 60.65 59.64 2x3v h LYS 186 Cb 0.23 0.06 -0.01 0.00 -0.60 0.00 0.00 32.23 31.91 2x3v h LYS 186 CO -0.05 0.94 -0.26 -0.22 -3.45 0.00 0.00 179.45 176.41 2x3v h LYS 187 N -0.13 0.07 -0.33 1.90 1.63 -0.57 -0.73 116.57 118.41 2x3v h LYS 187 Ca -0.03 -0.02 -0.08 0.00 -0.85 0.00 0.00 60.65 59.67 2x3v h LYS 187 Cb 1.02 -0.01 -0.01 0.00 -0.60 0.00 0.00 32.23 32.63 2x3v h LYS 187 CO 0.07 0.33 -0.11 1.25 -3.45 0.00 0.00 179.45 177.55 2x3v h LEU 188 N 0.06 0.66 -0.73 5.20 6.46 0.15 -0.68 115.31 126.43 2x3v h LEU 188 Ca 0.01 -0.38 -0.12 0.00 -0.12 0.00 0.00 57.88 57.27 2x3v h LEU 188 Cb 0.50 -0.18 -0.01 0.00 -0.73 0.00 0.00 40.66 40.24 2x3v h LEU 188 CO 0.04 0.89 -0.28 0.58 -0.62 0.00 0.00 178.44 179.05 2x3v h VAL 189 N 0.43 1.28 -0.03 1.05 2.07 -1.35 -2.08 116.25 117.61 2x3v h VAL 189 Ca 0.08 -1.39 -0.04 0.00 0.82 0.00 0.00 66.70 66.17 2x3v h VAL 189 Cb 0.62 1.33 -0.01 0.00 -1.52 0.00 0.00 31.29 31.72 2x3v h VAL 189 CO 0.04 0.45 -0.18 0.44 0.02 0.00 0.00 177.57 178.34 2x3v h ASP 190 N 0.57 0.05 -0.13 0.57 5.19 -1.05 -2.88 116.42 118.73 2x3v h ASP 190 Ca 0.07 -0.01 -0.06 0.00 -0.62 0.00 0.00 57.03 56.41 2x3v h ASP 190 Cb 0.77 -0.01 -0.00 0.00 0.18 0.00 0.00 39.33 40.27 2x3v h ASP 190 CO 0.06 0.23 -0.16 0.50 -3.12 0.00 0.00 179.24 176.75 2x3v h LYS 191 N 0.05 0.34 -0.19 3.56 1.63 -0.48 -2.59 116.57 118.89 2x3v h LYS 191 Ca 0.01 -0.19 -0.05 0.00 -0.85 0.00 0.00 60.65 59.56 2x3v h LYS 191 Cb 0.35 0.01 -0.01 0.00 -0.60 0.00 0.00 32.23 31.98 2x3v h LYS 191 CO 0.02 0.76 -0.11 -0.39 -3.45 0.00 0.00 179.45 176.28 2x3v h VAL 192 N -0.06 1.19 0.00 2.00 -1.51 -1.32 -1.12 116.25 115.43 2x3v h VAL 192 Ca 0.02 -0.82 -0.09 0.00 -1.23 0.00 0.00 66.70 64.57 2x3v h VAL 192 Cb 0.71 1.17 -0.01 0.00 -2.13 0.00 0.00 31.29 31.03 2x3v h VAL 192 CO 0.04 0.26 -0.45 0.44 -1.23 0.00 0.00 177.57 176.63 2x3v h ASP 193 N 0.29 0.00 -0.34 4.19 3.45 -1.53 -0.43 116.42 122.06 2x3v h ASP 193 Ca 0.06 0.00 -0.16 0.00 0.43 0.00 0.00 57.03 57.36 2x3v h ASP 193 Cb 0.39 0.00 -0.00 0.00 -0.56 0.00 0.00 39.33 39.15 2x3v h ASP 193 CO 0.02 0.45 -0.42 0.50 -1.57 0.00 0.00 179.24 178.22 2x3v h LYS 194 N 0.00 0.88 -0.07 3.56 3.64 -0.92 -2.63 116.57 121.04 2x3v h LYS 194 Ca -0.00 -0.50 -0.01 0.00 -1.27 0.00 0.00 60.65 58.87 2x3v h LYS 194 Cb 0.95 0.03 -0.00 0.00 -0.41 0.00 0.00 32.23 32.80 2x3v h LYS 194 CO 0.06 1.14 0.00 0.00 -2.27 0.00 0.00 179.45 178.38 2x3v h ARG 196 N -0.15 0.50 0.00 0.00 2.43 -1.15 0.27 114.38 116.28 2x3v h ARG 196 Ca 0.02 -0.03 -0.04 0.00 -0.81 0.00 0.00 59.98 59.12 2x3v h ARG 196 Cb 0.32 -0.11 -0.01 0.00 -0.42 0.00 0.00 29.97 29.75 2x3v h ARG 196 CO 0.00 0.33 -0.18 1.96 -1.51 0.00 0.00 179.97 180.57 2x3v h GLN 197 N 0.52 0.00 0.12 0.20 4.20 -1.49 -1.86 115.11 116.80 2x3v h GLN 197 Ca 0.22 0.00 -0.30 0.00 0.06 0.00 0.00 58.65 58.63 2x3v h GLN 197 Cb 0.12 0.00 0.03 0.00 0.30 0.00 0.00 27.48 27.93 2x3v h GLN 197 CO -0.15 0.18 -1.24 -0.44 -0.67 0.00 0.00 178.83 176.52 2x3v h ASP 198 N 0.00 0.86 -0.88 1.46 3.45 -0.78 -1.30 116.42 119.23 2x3v h ASP 198 Ca -0.00 -0.79 0.10 0.00 0.43 0.00 0.00 57.03 56.77 2x3v h ASP 198 Cb 0.32 -0.27 -0.06 0.00 -0.56 0.00 0.00 39.33 38.76 2x3v h ASP 198 CO 0.02 1.59 0.57 0.58 -1.57 0.00 0.00 179.24 180.44 2x3v h VAL 199 N 0.27 0.95 0.21 -1.35 2.07 -0.22 0.43 116.25 118.60 2x3v h VAL 199 Ca -0.18 -0.29 -0.01 0.00 0.82 0.00 0.00 66.70 67.04 2x3v h VAL 199 Cb 1.91 0.03 0.00 0.00 -1.52 0.00 0.00 31.29 31.71 2x3v h VAL 199 CO 0.24 0.15 -0.10 1.56 0.02 0.00 0.00 177.57 179.44 2x3v h GLN 200 N 0.84 -0.27 -0.68 1.57 4.20 -1.30 -1.37 115.11 118.10 2x3v h GLN 200 Ca 0.41 0.02 0.12 0.00 0.06 0.00 0.00 58.65 59.26 2x3v h GLN 200 Cb 0.46 0.06 -0.09 0.00 0.30 0.00 0.00 27.48 28.21 2x3v h GLN 200 CO -0.18 0.12 0.24 -0.22 -0.67 0.00 0.00 178.83 178.13 2x3v h LYS 201 N -0.85 0.38 0.00 1.46 3.64 -1.05 0.11 116.57 120.27 2x3v h LYS 201 Ca -0.03 -0.02 -0.14 0.00 -1.27 0.00 0.00 60.65 59.19 2x3v h LYS 201 Cb 0.51 -0.09 -0.02 0.00 -0.41 0.00 0.00 32.23 32.23 2x3v h LYS 201 CO 0.05 0.25 -0.66 1.79 -2.27 0.00 0.00 179.45 178.61 2x3v h THR 202 N 0.39 1.38 -0.31 1.00 1.35 -0.99 -2.79 112.91 112.95 2x3v h THR 202 Ca 0.36 -2.31 -0.16 0.00 -0.55 0.00 0.00 66.41 63.75 2x3v h THR 202 Cb 0.53 2.28 -0.01 0.00 -1.73 0.00 0.00 68.15 69.22 2x3v h THR 202 CO -0.38 0.64 -0.45 -0.61 -0.25 0.00 0.00 175.52 174.47 2x3v h GLN 203 N 0.00 0.80 -0.41 4.72 4.15 -0.02 -1.87 115.11 122.47 2x3v h GLN 203 Ca -0.01 -0.45 -0.02 0.00 0.77 0.00 0.00 58.65 58.95 2x3v h GLN 203 Cb 1.22 0.03 -0.02 0.00 0.21 0.00 0.00 27.48 28.92 2x3v h GLN 203 CO 0.09 1.08 0.18 1.49 -1.93 0.00 0.00 178.83 179.74 2x3v h GLU 204 N 0.64 0.60 -0.38 1.69 4.81 -0.75 0.19 114.58 121.37 2x3v h GLU 204 Ca 0.04 -0.10 -0.06 0.00 -0.13 0.00 0.00 59.36 59.11 2x3v h GLU 204 Cb 1.02 -0.10 -0.01 0.00 0.63 0.00 0.00 28.75 30.28 2x3v h GLU 204 CO 0.10 0.54 0.01 -0.22 -0.73 0.00 0.00 179.01 178.70 2x3v h LYS 205 N 0.52 0.66 -0.39 1.92 1.63 -1.50 0.07 116.57 119.49 2x3v h LYS 205 Ca 0.14 -0.21 0.01 0.00 -0.85 0.00 0.00 60.65 59.74 2x3v h LYS 205 Cb 0.15 -0.06 -0.02 0.00 -0.60 0.00 0.00 32.23 31.69 2x3v h LYS 205 CO -0.02 0.76 0.24 -0.92 -3.45 0.00 0.00 179.45 176.07 2x3v h TYR 206 N 0.49 0.46 -0.87 1.91 -0.00 -1.27 -1.45 116.97 116.24 2x3v h TYR 206 Ca 0.11 0.01 -0.01 0.00 -0.00 0.00 0.00 58.73 58.84 2x3v h TYR 206 Cb 0.46 -0.15 -0.04 0.00 -0.00 0.00 0.00 36.73 36.99 2x3v h TYR 206 CO 0.04 0.28 0.52 0.93 -0.00 0.00 0.00 178.16 179.92 2x3v h GLU 207 N 0.50 1.18 -0.53 1.82 5.08 -0.79 -1.85 114.58 119.97 2x3v h GLU 207 Ca 0.15 -0.11 -0.05 0.00 -1.00 0.00 0.00 59.36 58.35 2x3v h GLU 207 Cb -0.03 -0.25 -0.02 0.00 0.50 0.00 0.00 28.75 28.95 2x3v h GLU 207 CO -0.05 0.83 0.14 -0.22 -1.00 0.00 0.00 179.01 178.71 2x3v h LYS 208 N 1.19 0.85 -0.44 2.33 3.11 -0.62 -1.21 116.57 121.78 2x3v h LYS 208 Ca 0.31 -0.20 -0.06 0.00 -2.81 0.00 0.00 60.65 57.90 2x3v h LYS 208 Cb -0.04 -0.11 -0.02 0.00 -1.00 0.00 0.00 32.23 31.06 2x3v h LYS 208 CO -0.06 0.79 0.05 0.28 -2.81 0.00 0.00 179.45 177.71 2x3v h VAL 209 N 0.75 1.25 -0.55 2.00 2.07 -1.09 -1.19 116.25 119.48 2x3v h VAL 209 Ca 0.17 -0.93 0.11 0.00 0.82 0.00 0.00 66.70 66.87 2x3v h VAL 209 Cb 0.32 1.00 -0.08 0.00 -1.52 0.00 0.00 31.29 31.01 2x3v h VAL 209 CO -0.00 0.32 0.07 -0.07 0.02 0.00 0.00 177.57 177.91 2x3v h LEU 210 N 0.59 -0.10 -0.36 2.57 -0.00 -1.13 0.18 115.31 117.05 2x3v h LEU 210 Ca 0.13 0.12 -0.00 0.00 -0.00 0.00 0.00 57.88 58.12 2x3v h LEU 210 Cb 0.41 0.18 -0.02 0.00 -0.00 0.00 0.00 40.66 41.23 2x3v h LEU 210 CO 0.01 -0.03 0.22 -0.33 -0.00 0.00 0.00 178.44 178.31 2x3v h GLU 211 N 0.19 0.49 -0.70 1.13 5.08 -0.91 -1.08 114.58 118.78 2x3v h GLU 211 Ca 0.29 -0.05 0.03 0.00 -1.00 0.00 0.00 59.36 58.63 2x3v h GLU 211 Cb 0.43 -0.10 -0.04 0.00 0.50 0.00 0.00 28.75 29.53 2x3v h GLU 211 CO -0.41 0.37 0.44 -0.44 -1.00 0.00 0.00 179.01 177.97 2x3v h ASP 212 N 0.47 0.73 -0.84 1.42 3.32 -0.50 -1.49 116.42 119.53 2x3v h ASP 212 Ca 0.13 -0.00 0.05 0.00 0.02 0.00 0.00 57.03 57.23 2x3v h ASP 212 Cb 0.01 -0.16 -0.06 0.00 0.22 0.00 0.00 39.33 39.34 2x3v h ASP 212 CO -0.02 0.50 0.52 0.58 -1.72 0.00 0.00 179.24 179.10 2x3v h VAL 213 N 0.86 1.07 -0.68 -1.35 2.07 -0.26 -0.94 116.25 117.04 2x3v h VAL 213 Ca 0.28 -0.34 -0.03 0.00 0.82 0.00 0.00 66.70 67.43 2x3v h VAL 213 Cb 0.01 0.01 -0.03 0.00 -1.52 0.00 0.00 31.29 29.76 2x3v h VAL 213 CO -0.11 0.18 0.30 1.23 0.02 0.00 0.00 177.57 179.19 2x3v h GLY 214 N 0.98 1.07 1.78 2.17 0.00 -0.43 -2.28 103.07 106.35 2x3v h GLY 214 Ca 0.35 -0.56 -0.15 0.00 0.00 0.00 0.00 47.33 46.97 2x3v h GLY 214 CO -0.15 0.53 -0.63 0.50 0.00 0.00 0.00 176.54 176.79 2x3v h LYS 215 N 0.95 0.23 0.00 4.80 1.57 -0.98 -3.17 116.57 119.97 2x3v h LYS 215 Ca 0.23 -0.16 -0.03 0.00 -1.87 0.00 0.00 60.65 58.81 2x3v h LYS 215 Cb 0.17 0.03 -0.00 0.00 0.08 0.00 0.00 32.23 32.50 2x3v h LYS 215 CO -0.02 0.78 -0.16 1.15 -0.57 0.00 0.00 179.45 180.63 2x3v h THR 216 N 0.17 0.34 -0.42 -0.16 2.02 -1.07 -3.39 112.91 110.40 2x3v h THR 216 Ca -0.01 -1.11 -0.02 0.00 0.77 0.00 0.00 66.41 66.05 2x3v h THR 216 Cb 1.14 1.86 -0.02 0.00 -1.74 0.00 0.00 68.15 69.38 2x3v h THR 216 CO 0.10 0.16 0.20 0.74 0.37 0.00 0.00 175.52 177.09 2x3v h THR 217 N 0.00 1.18 -0.97 3.16 2.02 -1.38 -1.79 112.91 115.12 2x3v h THR 217 Ca -0.00 -0.50 0.07 0.00 0.77 0.00 0.00 66.41 66.74 2x3v h THR 217 Cb 0.84 0.73 -0.07 0.00 -1.74 0.00 0.00 68.15 67.92 2x3v h THR 217 CO 0.02 0.19 0.62 -0.65 0.37 0.00 0.00 175.52 176.07 2x3v h PRO 218 N 0.54 1.08 -0.27 6.66 0.11 -1.78 -0.80 132.00 137.54 2x3v h PRO 218 Ca 0.14 -0.07 -0.16 0.00 0.11 0.00 0.00 66.00 66.03 2x3v h PRO 218 Cb 0.12 -0.24 -0.00 0.00 0.11 0.00 0.00 31.00 30.98 2x3v h PRO 218 CO -0.02 0.72 -0.45 1.96 -0.21 0.00 0.00 178.00 180.00 2x3v h GLN 219 N 1.12 0.77 -0.44 1.05 7.50 -1.74 0.75 115.11 124.12 2x3v h GLN 219 Ca 0.42 -0.48 0.08 0.00 0.50 0.00 0.00 58.65 59.18 2x3v h GLN 219 Cb 0.19 0.05 -0.07 0.00 0.05 0.00 0.00 27.48 27.70 2x3v h GLN 219 CO -0.18 1.11 0.02 -0.92 -1.50 0.00 0.00 178.83 177.35 2x3v h TYR 220 N 0.52 0.01 -0.03 2.96 3.20 -1.04 -0.67 116.97 121.92 2x3v h TYR 220 Ca 0.02 0.03 -0.01 0.00 3.14 0.00 0.00 58.73 61.91 2x3v h TYR 220 Cb 1.05 0.06 -0.00 0.00 1.54 0.00 0.00 36.73 39.38 2x3v h TYR 220 CO 0.08 -0.07 -0.00 0.52 -1.64 0.00 0.00 178.16 177.04 2x3v h MET 221 N 0.13 0.06 -0.52 1.82 2.86 -0.88 -2.19 114.93 116.21 2x3v h MET 221 Ca 0.22 -0.02 0.08 0.00 -2.06 0.00 0.00 59.70 57.92 2x3v h MET 221 Cb 0.31 -0.00 -0.07 0.00 0.06 0.00 0.00 31.60 31.90 2x3v h MET 221 CO -0.35 0.38 0.16 1.49 1.06 0.00 0.00 176.91 179.65 2x3v h GLU 222 N -0.26 0.31 -0.58 1.72 4.81 -0.74 0.31 114.58 120.14 2x3v h GLU 222 Ca 0.01 -0.02 -0.01 0.00 -0.13 0.00 0.00 59.36 59.21 2x3v h GLU 222 Cb 0.36 -0.07 -0.03 0.00 0.63 0.00 0.00 28.75 29.64 2x3v h GLU 222 CO 0.00 0.21 0.31 0.78 -0.73 0.00 0.00 179.01 179.58 2x3v h GLY 223 N 0.32 0.87 1.04 1.92 0.00 -1.00 -1.04 103.07 105.18 2x3v h GLY 223 Ca 0.26 -0.40 -0.18 0.00 0.00 0.00 0.00 47.33 47.01 2x3v h GLY 223 CO -0.29 0.38 -0.59 -0.33 0.00 0.00 0.00 176.54 175.71 2x3v h MET 224 N 0.78 0.71 -0.04 4.80 2.86 -1.04 -2.80 114.93 120.20 2x3v h MET 224 Ca 0.20 -0.53 -0.06 0.00 -2.06 0.00 0.00 59.70 57.26 2x3v h MET 224 Cb 0.06 0.09 -0.01 0.00 0.06 0.00 0.00 31.60 31.80 2x3v h MET 224 CO -0.03 1.15 -0.25 1.49 1.06 0.00 0.00 176.91 180.33 2x3v h GLU 225 N 0.41 0.07 -0.15 1.72 4.81 -0.81 0.19 114.58 120.81 2x3v h GLU 225 Ca -0.02 -0.02 -0.07 0.00 -0.13 0.00 0.00 59.36 59.12 2x3v h GLU 225 Cb 1.22 -0.01 -0.00 0.00 0.63 0.00 0.00 28.75 30.59 2x3v h GLU 225 CO 0.13 0.31 -0.17 1.96 -0.73 0.00 0.00 179.01 180.50 2x3v h GLN 226 N 0.06 0.39 -0.49 1.92 4.20 -1.16 -1.39 115.11 118.65 2x3v h GLN 226 Ca 0.01 -0.21 -0.02 0.00 0.06 0.00 0.00 58.65 58.49 2x3v h GLN 226 Cb 0.47 0.01 -0.02 0.00 0.30 0.00 0.00 27.48 28.24 2x3v h GLN 226 CO 0.03 0.78 0.23 0.28 -0.67 0.00 0.00 178.83 179.49 2x3v h VAL 227 N 0.02 1.19 -0.83 -0.54 2.07 -1.20 -2.24 116.25 114.73 2x3v h VAL 227 Ca 0.02 -0.55 0.02 0.00 0.82 0.00 0.00 66.70 67.01 2x3v h VAL 227 Cb 0.72 0.65 -0.04 0.00 -1.52 0.00 0.00 31.29 31.10 2x3v h VAL 227 CO 0.04 0.21 0.55 0.15 0.02 0.00 0.00 177.57 178.54 2x3v h PHE 228 N 0.65 1.03 -0.13 1.57 3.04 -0.63 -1.94 116.94 120.52 2x3v h PHE 228 Ca 0.17 0.03 -0.10 0.00 3.98 0.00 0.00 57.97 62.04 2x3v h PHE 228 Cb 0.12 -0.35 -0.01 0.00 2.56 0.00 0.00 35.95 38.28 2x3v h PHE 228 CO -0.01 0.63 -0.36 1.49 -2.02 0.00 0.00 178.31 178.05 2x3v h GLU 229 N 1.10 0.28 -0.47 1.11 4.57 -1.05 0.11 114.58 120.23 2x3v h GLU 229 Ca 0.31 -0.12 -0.06 0.00 -1.18 0.00 0.00 59.36 58.31 2x3v h GLU 229 Cb -0.09 -0.01 -0.02 0.00 -0.16 0.00 0.00 28.75 28.47 2x3v h GLU 229 CO -0.08 0.61 0.04 1.96 -1.18 0.00 0.00 179.01 180.35 2x3v h GLN 230 N 0.24 0.75 -0.21 1.92 4.20 -0.87 -0.66 115.11 120.47 2x3v h GLN 230 Ca 0.03 -0.18 -0.08 0.00 0.06 0.00 0.00 58.65 58.48 2x3v h GLN 230 Cb 0.75 -0.10 -0.00 0.00 0.30 0.00 0.00 27.48 28.43 2x3v h GLN 230 CO 0.06 0.74 -0.16 0.00 -0.67 0.00 0.00 178.83 178.79 2x3v h GLN 232 N 0.18 0.95 -0.46 0.00 1.08 -0.58 -0.66 115.11 115.62 2x3v h GLN 232 Ca 0.04 -0.06 -0.11 0.00 -1.45 0.00 0.00 58.65 57.07 2x3v h GLN 232 Cb 0.69 -0.21 -0.01 0.00 -0.05 0.00 0.00 27.48 27.90 2x3v h GLN 232 CO 0.04 0.63 -0.16 1.96 -0.95 0.00 0.00 178.83 180.35 2x3v h GLN 233 N 0.97 0.91 -0.52 1.46 1.08 -1.11 -1.34 115.11 116.57 2x3v h GLN 233 Ca 0.41 -0.37 -0.08 0.00 -1.45 0.00 0.00 58.65 57.16 2x3v h GLN 233 Cb 0.27 -0.04 -0.02 0.00 -0.05 0.00 0.00 27.48 27.64 2x3v h GLN 233 CO -0.21 1.02 0.03 0.35 -0.95 0.00 0.00 178.83 179.08 2x3v h PHE 234 N 0.75 0.98 -0.67 2.96 3.04 -1.07 -1.93 116.94 120.99 2x3v h PHE 234 Ca 0.11 -0.16 -0.03 0.00 3.98 0.00 0.00 57.97 61.87 2x3v h PHE 234 Cb 0.72 -0.26 -0.03 0.00 2.56 0.00 0.00 35.95 38.94 2x3v h PHE 234 CO 0.05 0.90 0.30 1.49 -2.02 0.00 0.00 178.31 179.03 2x3v h GLU 235 N 0.78 0.96 -0.44 1.11 4.57 -1.06 -3.01 114.58 117.49 2x3v h GLU 235 Ca 0.15 -0.14 -0.02 0.00 -1.18 0.00 0.00 59.36 58.18 2x3v h GLU 235 Cb 0.49 -0.17 -0.02 0.00 -0.16 0.00 0.00 28.75 28.88 2x3v h GLU 235 CO 0.02 0.76 0.21 1.49 -1.18 0.00 0.00 179.01 180.31 2x3v h GLU 236 N 0.95 0.64 -0.83 1.92 4.81 -0.72 0.15 114.58 121.50 2x3v h GLU 236 Ca 0.23 -0.10 0.16 0.00 -0.13 0.00 0.00 59.36 59.53 2x3v h GLU 236 Cb 0.13 -0.11 -0.10 0.00 0.63 0.00 0.00 28.75 29.30 2x3v h GLU 236 CO -0.03 0.55 0.38 0.87 -0.73 0.00 0.00 179.01 180.06 2x3v h LYS 237 N 0.57 0.49 -0.01 1.92 1.57 -1.29 0.30 116.57 120.12 2x3v h LYS 237 Ca 0.15 -0.03 -0.00 0.00 -1.87 0.00 0.00 60.65 58.90 2x3v h LYS 237 Cb 0.13 -0.11 -0.00 0.00 0.08 0.00 0.00 32.23 32.33 2x3v h LYS 237 CO -0.02 0.33 -0.00 -0.09 -0.57 0.00 0.00 179.45 179.09 2x3v h ARG 238 N 0.51 0.02 -0.33 3.15 2.43 -1.18 -1.18 114.38 117.79 2x3v h ARG 238 Ca 0.47 -0.01 -0.04 0.00 -0.81 0.00 0.00 59.98 59.60 2x3v h ARG 238 Cb 0.75 -0.00 -0.02 0.00 -0.42 0.00 0.00 29.97 30.29 2x3v h ARG 238 CO -0.42 0.45 0.03 -0.07 -1.51 0.00 0.00 179.97 178.45 2x3v h LEU 239 N -0.42 0.46 -0.20 3.80 3.38 -0.37 -0.45 115.31 121.51 2x3v h LEU 239 Ca 0.00 -0.07 -0.18 0.00 0.09 0.00 0.00 57.88 57.72 2x3v h LEU 239 Cb 0.44 -0.12 0.00 0.00 0.09 0.00 0.00 40.66 41.08 2x3v h LEU 239 CO 0.00 0.51 -0.56 0.58 0.09 0.00 0.00 178.44 179.06 2x3v h VAL 240 N 0.48 1.30 -0.36 1.22 2.07 -0.93 -2.66 116.25 117.37 2x3v h VAL 240 Ca 0.11 -1.78 -0.02 0.00 0.82 0.00 0.00 66.70 65.83 2x3v h VAL 240 Cb 0.27 1.88 -0.02 0.00 -1.52 0.00 0.00 31.29 31.90 2x3v h VAL 240 CO 0.00 0.56 0.14 0.15 0.02 0.00 0.00 177.57 178.44 2x3v h PHE 241 N 0.45 0.56 -0.09 1.57 3.04 -0.91 -2.82 116.94 118.74 2x3v h PHE 241 Ca -0.01 -0.05 -0.10 0.00 3.98 0.00 0.00 57.97 61.79 2x3v h PHE 241 Cb 1.18 -0.17 -0.01 0.00 2.56 0.00 0.00 35.95 39.51 2x3v h PHE 241 CO 0.09 0.52 -0.39 -0.07 -2.02 0.00 0.00 178.31 176.44 2x3v h LEU 242 N 0.44 0.20 -0.71 0.59 -0.00 -1.12 -0.82 115.31 113.89 2x3v h LEU 242 Ca 0.12 -0.08 -0.07 0.00 -0.00 0.00 0.00 57.88 57.86 2x3v h LEU 242 Cb 0.20 -0.06 -0.03 0.00 -0.00 0.00 0.00 40.66 40.78 2x3v h LEU 242 CO -0.01 0.58 0.19 0.50 -0.00 0.00 0.00 178.44 179.70 2x3v h LYS 243 N 0.16 1.13 -0.43 1.13 3.64 -1.43 0.17 116.57 120.95 2x3v h LYS 243 Ca 0.02 -0.26 -0.09 0.00 -1.27 0.00 0.00 60.65 59.04 2x3v h LYS 243 Cb 0.77 -0.15 -0.01 0.00 -0.41 0.00 0.00 32.23 32.42 2x3v h LYS 243 CO 0.06 0.99 -0.08 1.49 -2.27 0.00 0.00 179.45 179.63 2x3v h GLU 244 N 1.07 0.81 -0.82 1.90 4.81 -1.20 -2.40 114.58 118.75 2x3v h GLU 244 Ca 0.23 -0.30 -0.02 0.00 -0.13 0.00 0.00 59.36 59.13 2x3v h GLU 244 Cb 0.35 -0.05 -0.04 0.00 0.63 0.00 0.00 28.75 29.64 2x3v h GLU 244 CO -0.00 0.92 0.43 0.28 -0.73 0.00 0.00 179.01 179.91 2x3v h VAL 245 N 0.64 1.25 -0.24 0.32 2.07 -0.96 -1.47 116.25 117.85 2x3v h VAL 245 Ca 0.11 -0.65 -0.03 0.00 0.82 0.00 0.00 66.70 66.95 2x3v h VAL 245 Cb 0.61 0.17 -0.01 0.00 -1.52 0.00 0.00 31.29 30.53 2x3v h VAL 245 CO 0.04 0.29 0.02 -0.07 0.02 0.00 0.00 177.57 177.86 2x3v h LEU 246 N 1.16 0.32 -0.28 2.57 4.07 -0.83 -0.97 115.31 121.35 2x3v h LEU 246 Ca 0.29 -0.04 -0.10 0.00 0.08 0.00 0.00 57.88 58.10 2x3v h LEU 246 Cb 0.07 -0.08 -0.01 0.00 1.08 0.00 0.00 40.66 41.72 2x3v h LEU 246 CO -0.04 0.37 -0.22 -0.07 -1.08 0.00 0.00 178.44 177.40 2x3v h LEU 247 N 0.35 0.69 -0.67 1.67 -0.00 -0.95 -1.10 115.31 115.30 2x3v h LEU 247 Ca 0.08 -0.45 0.12 0.00 -0.00 0.00 0.00 57.88 57.63 2x3v h LEU 247 Cb 0.21 -0.19 -0.08 0.00 -0.00 0.00 0.00 40.66 40.59 2x3v h LEU 247 CO 0.00 0.99 0.23 0.44 -0.00 0.00 0.00 178.44 180.11 2x3v h ASP 248 N 0.39 0.19 -0.20 -0.43 3.45 -0.57 -1.52 116.42 117.74 2x3v h ASP 248 Ca 0.05 0.10 -0.07 0.00 0.43 0.00 0.00 57.03 57.54 2x3v h ASP 248 Cb 0.78 0.09 -0.00 0.00 -0.56 0.00 0.00 39.33 39.64 2x3v h ASP 248 CO 0.06 0.09 -0.16 0.40 -1.57 0.00 0.00 179.24 178.06 2x3v h ILE 249 N 0.39 1.32 -0.53 0.35 2.04 -1.12 -1.88 117.51 118.09 2x3v h ILE 249 Ca 0.35 -1.29 0.11 0.00 1.00 0.00 0.00 64.86 65.03 2x3v h ILE 249 Cb 0.50 1.72 -0.11 0.00 -0.74 0.00 0.00 36.82 38.20 2x3v h ILE 249 CO -0.37 0.39 -0.20 0.50 0.00 0.00 0.00 178.15 178.47 2x3v h LYS 250 N 0.14 -0.08 -0.03 2.37 3.11 -0.81 -0.25 116.57 121.02 2x3v h LYS 250 Ca 0.04 0.01 -0.09 0.00 -2.81 0.00 0.00 60.65 57.79 2x3v h LYS 250 Cb 0.69 0.02 -0.01 0.00 -1.00 0.00 0.00 32.23 31.92 2x3v h LYS 250 CO 0.04 -0.05 -0.40 0.00 -2.81 0.00 0.00 179.45 176.23 2x3v h ARG 251 N -0.08 0.07 0.05 1.90 3.08 -1.08 -1.62 114.38 116.70 2x3v h ARG 251 Ca 0.25 -0.03 -0.23 0.00 0.07 0.00 0.00 59.98 60.03 2x3v h ARG 251 Cb 0.46 -0.00 -0.01 0.00 0.08 0.00 0.00 29.97 30.50 2x3v h ARG 251 CO -0.59 0.46 -1.08 0.45 -1.07 0.00 0.00 179.97 178.15 2x3v h HIS 252 N 0.06 0.26 -0.33 3.04 3.86 -0.64 -3.27 115.15 118.12 2x3v h HIS 252 Ca 0.00 -0.18 -0.18 0.00 -1.16 0.00 0.00 60.37 58.86 2x3v h HIS 252 Cb 0.74 -0.01 -0.00 0.00 1.06 0.00 0.00 27.41 29.19 2x3v h HIS 252 CO 0.00 1.11 -0.49 -0.07 0.86 0.00 0.00 177.93 179.35 2x3v h LEU 253 N 0.05 1.00 -8.73 2.43 3.38 -0.92 -3.42 115.31 109.11 2x3v h LEU 253 Ca -0.07 -0.51 -0.56 0.00 0.09 0.00 0.00 57.88 56.84 2x3v h LEU 253 Cb 1.81 -0.28 -0.05 0.00 0.09 0.00 0.00 40.66 42.22 2x3v h LEU 253 CO 0.16 1.31 1.16 0.21 0.09 0.00 0.00 178.44 181.37 2x3v s ASN 254 N -6.91 6.06 0.33 -0.43 2.47 -0.62 -4.87 114.94 110.97 2x3v s ASN 254 Ca -0.11 0.75 0.26 0.00 0.42 0.00 0.00 52.86 54.19 2x3v s ASN 254 Cb 0.10 -2.54 0.94 0.00 -1.45 0.00 0.00 41.25 38.30 2x3v s ASN 254 CO 0.89 -1.67 1.77 -0.07 -3.72 0.00 0.00 177.10 174.31 2x3v h LEU 255 N 13.23 0.00 -0.17 3.21 3.38 -1.86 -2.73 115.31 130.37 2x3v h LEU 255 Ca -0.29 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.68 2x3v h LEU 255 Cb 1.12 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.87 2x3v h LEU 255 CO 1.11 0.00 0.00 0.00 0.09 0.00 0.00 178.44 179.64 2x3v n ALA 256 N -1.89 2.57 0.23 1.53 0.00 -1.26 -4.04 120.51 117.66 2x3v n ALA 256 Ca 0.03 -0.16 0.09 0.00 0.00 0.00 0.00 53.44 53.41 2x3v n ALA 256 Cb 0.34 -1.21 0.55 0.00 0.00 0.00 0.00 19.45 19.13 2x3v n ALA 256 CO 0.00 0.00 0.00 1.49 0.00 0.00 0.00 177.50 178.99 2x3v h GLU 257 N 0.33 0.00 -4.65 0.00 4.57 -1.80 -3.44 114.58 109.59 2x3v h GLU 257 Ca 0.00 0.00 -0.30 0.00 -1.18 0.00 0.00 59.36 57.88 2x3v h GLU 257 Cb 0.07 0.00 -0.14 0.00 -0.16 0.00 0.00 28.75 28.52 2x3v h GLU 257 CO 0.00 0.22 -0.57 0.54 -1.18 0.00 0.00 179.01 178.02 2x3v s ASN 258 N -6.33 0.57 0.00 1.04 2.20 -1.26 -5.07 114.94 106.09 2x3v s ASN 258 Ca -0.02 -1.48 0.28 0.00 -0.94 0.00 0.00 52.86 50.70 2x3v s ASN 258 Cb 0.12 0.43 1.43 0.00 -2.00 0.00 0.00 41.25 41.24 2x3v s ASN 258 CO 0.63 -0.91 1.95 -1.20 -2.94 0.00 0.00 177.10 174.63 2x3v n SER 259 N -0.63 0.67 -0.33 3.54 7.64 -1.26 -3.97 113.62 119.28 2x3v n SER 259 Ca 0.03 -1.28 0.01 0.00 1.01 0.00 0.00 58.87 58.65 2x3v n SER 259 Cb 0.65 -0.01 0.15 0.00 -1.01 0.00 0.00 64.21 63.99 2x3v n SER 259 CO 0.00 0.00 0.00 0.28 -3.01 0.00 0.00 175.04 172.31 2x3v h SER 260 N 1.02 0.90 -0.31 6.43 0.02 -1.98 -0.74 113.55 118.90 2x3v h SER 260 Ca 0.00 0.01 -0.01 0.00 -0.84 0.00 0.00 61.79 60.95 2x3v h SER 260 Cb 0.22 -0.18 -0.01 0.00 0.14 0.00 0.00 62.40 62.57 2x3v h SER 260 CO 0.00 0.57 0.15 0.22 -1.14 0.00 0.00 176.83 176.64 2x3v h TYR 261 N 1.04 0.43 -0.53 3.45 -0.00 -1.76 -2.11 116.97 117.49 2x3v h TYR 261 Ca 0.39 -0.02 0.01 0.00 -0.00 0.00 0.00 58.73 59.11 2x3v h TYR 261 Cb 0.17 -0.14 -0.03 0.00 -0.00 0.00 0.00 36.73 36.74 2x3v h TYR 261 CO -0.02 0.38 0.34 1.98 -0.00 0.00 0.00 178.16 180.84 2x3v h MET 262 N 0.36 0.68 -0.12 1.82 4.05 -1.71 -2.73 114.93 117.28 2x3v h MET 262 Ca 0.11 -0.04 -0.02 0.00 -0.28 0.00 0.00 59.70 59.47 2x3v h MET 262 Cb 0.10 -0.15 -0.01 0.00 -0.80 0.00 0.00 31.60 30.74 2x3v h MET 262 CO -0.01 0.45 -0.01 0.45 0.23 0.00 0.00 176.91 178.01 2x3v h HIS 263 N 0.70 0.17 -0.62 1.39 3.86 -0.84 -0.96 115.15 118.84 2x3v h HIS 263 Ca 0.20 -0.01 0.11 0.00 -1.16 0.00 0.00 60.37 59.51 2x3v h HIS 263 Cb -0.07 -0.05 -0.08 0.00 1.06 0.00 0.00 27.41 28.27 2x3v h HIS 263 CO -0.04 0.20 0.19 0.28 0.86 0.00 0.00 177.93 179.42 2x3v h VAL 264 N 0.17 0.70 0.00 2.45 2.07 -1.06 -0.82 116.25 119.77 2x3v h VAL 264 Ca 0.04 -0.12 -0.21 0.00 0.82 0.00 0.00 66.70 67.24 2x3v h VAL 264 Cb 0.14 0.32 -0.03 0.00 -1.52 0.00 0.00 31.29 30.21 2x3v h VAL 264 CO 0.00 0.06 -1.07 1.88 0.02 0.00 0.00 177.57 178.46 2x3v h TYR 265 N 0.35 0.00 -0.12 1.57 0.05 -1.28 -2.33 116.97 115.21 2x3v h TYR 265 Ca 0.32 0.00 0.04 0.00 0.05 0.00 0.00 58.73 59.14 2x3v h TYR 265 Cb 0.45 0.00 -0.04 0.00 1.01 0.00 0.00 36.73 38.15 2x3v h TYR 265 CO -0.20 0.91 -0.14 -0.09 -1.05 0.00 0.00 178.16 177.60 2x3v h ARG 266 N 0.00 -0.16 -0.44 4.88 2.43 -0.99 -1.49 114.38 118.61 2x3v h ARG 266 Ca -0.06 0.01 -0.02 0.00 -0.81 0.00 0.00 59.98 59.09 2x3v h ARG 266 Cb 1.75 0.04 -0.02 0.00 -0.42 0.00 0.00 29.97 31.32 2x3v h ARG 266 CO 0.11 -0.11 0.19 0.93 -1.51 0.00 0.00 179.97 179.58 2x3v h GLU 267 N -0.17 0.66 0.08 0.20 5.08 -1.12 -1.56 114.58 117.75 2x3v h GLU 267 Ca 0.09 -0.11 0.02 0.00 -1.00 0.00 0.00 59.36 58.36 2x3v h GLU 267 Cb 0.30 -0.11 -0.03 0.00 0.50 0.00 0.00 28.75 29.40 2x3v h GLU 267 CO -0.22 0.59 -0.24 1.25 -1.00 0.00 0.00 179.01 179.39 2x3v h LEU 268 N 0.57 -0.69 -1.31 1.33 6.46 -1.31 -0.31 115.31 120.06 2x3v h LEU 268 Ca 0.15 0.08 0.02 0.00 -0.12 0.00 0.00 57.88 58.02 2x3v h LEU 268 Cb 0.17 0.27 -0.04 0.00 -0.73 0.00 0.00 40.66 40.33 2x3v h LEU 268 CO -0.01 -0.32 0.48 -0.08 -0.62 0.00 0.00 178.44 177.88 2x3v h GLU 269 N -0.42 0.89 -0.11 1.25 4.81 -1.13 -1.35 114.58 118.52 2x3v h GLU 269 Ca 0.04 -0.05 -0.02 0.00 -0.13 0.00 0.00 59.36 59.19 2x3v h GLU 269 Cb 0.46 -0.20 -0.00 0.00 0.63 0.00 0.00 28.75 29.64 2x3v h GLU 269 CO -0.16 0.59 -0.02 0.37 -0.73 0.00 0.00 179.01 179.06 2x3v h GLN 270 N 0.91 0.20 -0.98 1.92 4.15 -0.65 -0.69 115.11 119.97 2x3v h GLN 270 Ca 0.28 -0.08 0.11 0.00 0.77 0.00 0.00 58.65 59.73 2x3v h GLN 270 Cb -0.00 -0.01 -0.08 0.00 0.21 0.00 0.00 27.48 27.59 2x3v h GLN 270 CO -0.07 0.50 0.61 0.00 -1.93 0.00 0.00 178.83 177.94 2x3v h ALA 271 N 0.69 1.45 0.22 3.38 0.00 -0.70 -0.19 119.26 124.11 2x3v h ALA 271 Ca 0.03 0.02 -0.01 0.00 0.00 0.00 0.00 54.91 54.94 2x3v h ALA 271 Cb 0.43 -0.21 0.00 0.00 0.00 0.00 0.00 17.79 18.01 2x3v h ALA 271 CO 0.01 0.23 -0.11 0.82 0.00 0.00 0.00 179.25 180.21 2x3v h ILE 272 N 0.99 0.82 -0.57 0.00 2.04 -1.09 -3.06 117.51 116.64 2x3v h ILE 272 Ca 0.47 -0.82 0.11 0.00 1.00 0.00 0.00 64.86 65.62 2x3v h ILE 272 Cb 0.43 1.26 -0.03 0.00 -0.74 0.00 0.00 36.82 37.74 2x3v h ILE 272 CO -0.25 0.17 0.39 0.03 0.00 0.00 0.00 178.15 178.48 2x3v h ARG 273 N -0.75 0.30 -0.05 2.37 3.08 -0.93 -0.03 114.38 118.38 2x3v h ARG 273 Ca -0.03 -0.02 -0.03 0.00 0.07 0.00 0.00 59.98 59.98 2x3v h ARG 273 Cb 0.50 -0.07 -0.01 0.00 0.08 0.00 0.00 29.97 30.48 2x3v h ARG 273 CO 0.05 0.20 -0.09 0.78 -1.07 0.00 0.00 179.97 179.83 2x3v h GLY 274 N 0.31 0.07 -4.63 0.04 0.00 -1.00 -3.43 103.07 94.43 2x3v h GLY 274 Ca 0.27 -0.04 -0.57 0.00 0.00 0.00 0.00 47.33 46.99 2x3v h GLY 274 CO -0.06 0.03 0.70 0.00 0.00 0.00 0.00 176.54 177.21 2x3v n ALA 275 N -2.51 1.45 -3.85 3.60 0.00 -0.03 -4.99 120.51 114.19 2x3v n ALA 275 Ca -0.02 0.41 -0.25 0.00 0.00 0.00 0.00 53.44 53.58 2x3v n ALA 275 Cb 0.19 -2.33 -0.17 0.00 0.00 0.00 0.00 19.45 17.14 2x3v n ALA 275 CO 0.00 0.00 0.00 0.34 0.00 0.00 0.00 177.50 177.84 2x3v s ASP 276 N 0.44 1.93 0.05 0.00 -1.08 -1.26 -4.98 116.67 111.77 2x3v s ASP 276 Ca 0.69 -0.22 -0.25 0.00 -0.52 0.00 0.00 52.55 52.26 2x3v s ASP 276 Cb -0.62 -0.68 -0.17 0.00 -1.46 0.00 0.00 42.92 39.99 2x3v s ASP 276 CO 0.47 -0.15 1.56 0.00 0.52 0.00 0.00 175.17 177.58 2x3v h ALA 277 N 8.22 -0.11 -0.87 3.66 0.00 -1.99 -2.83 119.26 125.34 2x3v h ALA 277 Ca -0.26 -0.09 0.05 0.00 0.00 0.00 0.00 54.91 54.61 2x3v h ALA 277 Cb 1.13 0.04 -0.06 0.00 0.00 0.00 0.00 17.79 18.90 2x3v h ALA 277 CO 0.35 -0.48 0.54 1.96 0.00 0.00 0.00 179.25 181.62 2x3v h GLN 278 N -0.26 0.98 -0.48 0.00 1.08 -1.99 -0.36 115.11 114.09 2x3v h GLN 278 Ca -0.01 -0.06 0.01 0.00 -1.45 0.00 0.00 58.65 57.14 2x3v h GLN 278 Cb 0.22 -0.22 -0.03 0.00 -0.05 0.00 0.00 27.48 27.41 2x3v h GLN 278 CO 0.02 0.65 0.31 1.49 -0.95 0.00 0.00 178.83 180.34 2x3v h GLU 279 N 1.01 0.61 -0.44 1.46 4.81 -1.98 0.23 114.58 120.27 2x3v h GLU 279 Ca 0.37 -0.04 -0.02 0.00 -0.13 0.00 0.00 59.36 59.54 2x3v h GLU 279 Cb 0.13 -0.14 -0.02 0.00 0.63 0.00 0.00 28.75 29.35 2x3v h GLU 279 CO -0.16 0.40 0.19 -0.44 -0.73 0.00 0.00 179.01 178.28 2x3v h ASP 280 N 0.62 0.59 0.33 1.04 3.45 -1.14 -1.76 116.42 119.56 2x3v h ASP 280 Ca 0.18 -0.15 0.00 0.00 0.43 0.00 0.00 57.03 57.49 2x3v h ASP 280 Cb -0.05 -0.15 -0.03 0.00 -0.56 0.00 0.00 39.33 38.54 2x3v h ASP 280 CO -0.05 0.58 -0.37 -0.07 -1.57 0.00 0.00 179.24 177.76 2x3v h LEU 281 N 0.57 -1.02 -1.29 1.55 4.07 -0.71 -1.42 115.31 117.06 2x3v h LEU 281 Ca 0.15 0.09 0.16 0.00 0.08 0.00 0.00 57.88 58.37 2x3v h LEU 281 Cb 0.16 0.35 -0.08 0.00 1.08 0.00 0.00 40.66 42.17 2x3v h LEU 281 CO -0.02 -0.50 0.59 0.03 -1.08 0.00 0.00 178.44 177.46 2x3v h ARG 282 N -0.74 0.63 -0.24 1.13 3.08 -0.85 -0.59 114.38 116.80 2x3v h ARG 282 Ca -0.02 -0.04 -0.02 0.00 0.07 0.00 0.00 59.98 59.97 2x3v h ARG 282 Cb 0.68 -0.14 -0.01 0.00 0.08 0.00 0.00 29.97 30.58 2x3v h ARG 282 CO -0.09 0.42 0.06 2.35 -1.07 0.00 0.00 179.97 181.63 2x3v h TRP 283 N 0.65 0.39 -0.81 3.04 7.01 -0.82 -2.30 115.95 123.11 2x3v h TRP 283 Ca 0.48 -0.05 0.02 0.00 2.11 0.00 0.00 58.89 61.45 2x3v h TRP 283 Cb 0.85 -0.11 -0.04 0.00 -2.10 0.00 0.00 29.16 27.76 2x3v h TRP 283 CO -0.00 0.47 0.53 0.35 -2.79 0.00 0.00 178.44 176.99 2x3v h PHE 284 N 0.21 1.00 -0.36 2.65 3.04 -0.13 -1.31 116.94 122.04 2x3v h PHE 284 Ca 0.07 0.02 0.07 0.00 3.98 0.00 0.00 57.97 62.12 2x3v h PHE 284 Cb 0.27 -0.33 -0.07 0.00 2.56 0.00 0.00 35.95 38.38 2x3v h PHE 284 CO 0.01 0.61 -0.10 -0.09 -2.02 0.00 0.00 178.31 176.72 2x3v h ARG 285 N 1.06 -0.01 0.00 1.11 2.43 -0.98 0.33 114.38 118.32 2x3v h ARG 285 Ca 0.30 0.00 -0.12 0.00 -0.81 0.00 0.00 59.98 59.35 2x3v h ARG 285 Cb -0.08 0.00 -0.02 0.00 -0.42 0.00 0.00 29.97 29.46 2x3v h ARG 285 CO -0.08 -0.01 -0.59 0.66 -1.51 0.00 0.00 179.97 178.45 2x3v h SER 286 N -0.01 0.00 0.06 -3.80 4.64 -0.97 -0.93 113.55 112.55 2x3v h SER 286 Ca 0.17 0.00 -0.33 0.00 -0.47 0.00 0.00 61.79 61.16 2x3v h SER 286 Cb 0.27 0.00 -0.06 0.00 -0.31 0.00 0.00 62.40 62.30 2x3v h SER 286 CO -0.38 0.59 -2.27 0.35 -0.87 0.00 0.00 176.83 174.25 2x3v n THR 287 N -3.42 1.30 -0.45 2.95 -2.24 -0.53 -3.63 114.28 108.25 2x3v n THR 287 Ca 0.00 -0.82 0.00 0.00 -2.27 0.00 0.00 64.05 60.96 2x3v n THR 287 Cb 0.69 -0.49 0.00 0.00 -2.10 0.00 0.00 70.33 68.44 2x3v n THR 287 CO 0.00 0.00 0.00 -1.20 -0.57 0.00 0.00 175.07 173.30 2x3v n SER 288 N -2.74 0.40 0.00 3.42 7.64 0.11 -4.97 113.62 117.48 2x3v n SER 288 Ca -0.29 -0.89 0.00 0.00 1.01 0.00 0.00 58.87 58.71 2x3v n SER 288 Cb 1.10 0.07 0.00 0.00 -1.01 0.00 0.00 64.21 64.36 2x3v n SER 288 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 2x3v n GLY 289 N 0.07 7.32 0.35 0.23 0.00 -0.46 -4.97 105.19 107.73 2x3v n GLY 289 Ca 0.00 -1.93 0.18 0.00 0.00 0.00 0.00 46.02 44.27 2x3v n GLY 289 CO 0.00 0.00 0.00 -2.55 0.00 0.00 0.00 173.32 170.77 2x3v h PRO 290 N 0.00 0.00 0.00 1.61 0.11 -1.89 -1.91 132.00 129.92 2x3v h PRO 290 Ca 0.00 0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.11 2x3v h PRO 290 Cb 0.00 0.00 0.00 0.00 0.11 0.00 0.00 31.00 31.11 2x3v h PRO 290 CO 0.00 0.00 0.00 0.41 -0.21 0.00 0.00 178.00 178.20 2x3v n GLY 291 N -1.33 -1.24 3.77 -0.55 0.00 -0.60 -4.81 105.19 100.43 2x3v n GLY 291 Ca 0.01 0.09 -0.39 0.00 0.00 0.00 0.00 46.02 45.73 2x3v n GLY 291 CO 0.00 0.00 0.00 1.06 0.00 0.00 0.00 173.32 174.38 2x3v s MET 292 N -3.33 4.15 1.10 1.61 -1.94 -0.72 -4.74 119.30 115.43 2x3v s MET 292 Ca 0.04 2.03 -0.12 0.00 -1.71 0.00 0.00 55.69 55.93 2x3v s MET 292 Cb 0.09 -2.85 0.25 0.00 2.01 0.00 0.00 34.83 34.33 2x3v s MET 292 CO 0.37 -0.29 1.06 -1.25 -0.01 0.00 0.00 175.02 174.90 2x3v s PRO 293 N -2.07 -0.39 -0.28 2.03 0.04 -1.26 -5.06 135.00 128.01 2x3v s PRO 293 Ca 0.54 0.99 -0.15 0.00 0.04 0.00 0.00 61.00 62.42 2x3v s PRO 293 Cb -0.35 -1.60 0.08 0.00 0.04 0.00 0.00 34.50 32.67 2x3v s PRO 293 CO 0.46 -3.41 0.68 1.41 0.04 0.00 0.00 177.00 176.17 2x3v s MET 294 N -4.53 0.69 -0.77 4.56 1.75 -1.26 -5.11 119.30 114.63 2x3v s MET 294 Ca 0.68 1.24 -0.25 0.00 -1.25 0.00 0.00 55.69 56.11 2x3v s MET 294 Cb -0.24 0.21 0.05 0.00 2.84 0.00 0.00 34.83 37.69 2x3v s MET 294 CO 0.63 -0.16 1.22 -0.80 -0.65 0.00 0.00 175.02 175.26 2x3v s ASN 295 N 1.77 6.24 0.40 1.11 0.01 -1.26 -5.03 114.94 118.18 2x3v s ASN 295 Ca -0.10 -0.81 -0.24 0.00 -0.71 0.00 0.00 52.86 51.01 2x3v s ASN 295 Cb -0.06 -2.52 -0.09 0.00 0.41 0.00 0.00 41.25 39.00 2x3v s ASN 295 CO -0.20 -1.65 1.06 0.26 -1.51 0.00 0.00 177.10 175.06 2x3v s TRP 296 N 5.06 3.24 0.43 2.20 0.52 -1.26 -4.96 118.94 124.16 2x3v s TRP 296 Ca 0.33 1.63 -0.24 0.00 0.02 0.00 0.00 56.10 57.85 2x3v s TRP 296 Cb -0.09 -3.15 -0.10 0.00 -1.15 0.00 0.00 33.47 28.97 2x3v s TRP 296 CO 0.09 -0.71 1.00 -2.30 0.02 0.00 0.00 176.95 175.05 2x3v n PRO 297 N -0.07 1.32 -4.09 4.98 -0.02 -1.26 -5.02 135.00 130.84 2x3v n PRO 297 Ca 0.05 0.48 -0.11 0.00 -2.02 0.00 0.00 63.50 61.90 2x3v n PRO 297 Cb 0.49 -2.04 -0.07 0.00 -0.02 0.00 0.00 33.50 31.87 2x3v n PRO 297 CO 0.00 0.00 0.00 1.14 1.98 0.00 0.00 175.50 178.62 2x3v s GLN 298 N -2.03 1.46 0.11 -0.52 -2.07 -1.26 -5.13 119.66 110.22 2x3v s GLN 298 Ca 0.64 -1.46 -0.31 0.00 -1.82 0.00 0.00 55.36 52.40 2x3v s GLN 298 Cb -0.55 0.39 -0.09 0.00 -1.09 0.00 0.00 33.01 31.67 2x3v s GLN 298 CO 0.56 -0.56 1.60 0.12 -1.32 0.00 0.00 175.29 175.69 2x3v s PHE 299 N -3.96 2.76 -0.20 9.60 2.19 -1.26 -5.00 117.98 122.10 2x3v s PHE 299 Ca 0.30 0.50 -0.00 0.00 0.33 0.00 0.00 56.93 58.05 2x3v s PHE 299 Cb 0.02 -3.93 0.02 0.00 -1.31 0.00 0.00 43.02 37.82 2x3v s PHE 299 CO 0.12 -3.57 -0.14 -1.21 1.83 0.00 0.00 175.22 172.24 2x3v s GLU 300 N 1.88 3.03 0.90 10.12 2.02 -1.26 -5.13 118.70 130.26 2x3v s GLU 300 Ca 0.72 -0.82 -0.12 0.00 0.02 0.00 0.00 54.97 54.76 2x3v s GLU 300 Cb -0.41 -2.73 0.13 0.00 0.10 0.00 0.00 34.13 31.21 2x3v s GLU 300 CO 0.32 -0.24 1.12 -1.21 0.02 0.00 0.00 175.26 175.27 2x3v s GLU 301 N 1.33 1.25 0.06 1.61 0.41 -1.26 -5.01 118.70 117.09 2x3v s GLU 301 Ca 0.04 0.39 -0.30 0.00 -0.41 0.00 0.00 54.97 54.69 2x3v s GLU 301 Cb -0.14 -1.84 -0.05 0.00 -1.78 0.00 0.00 34.13 30.32 2x3v s GLU 301 CO -0.09 -2.15 1.00 -0.46 -0.49 0.00 0.00 175.26 173.07 2x3v s TRP 302 N -3.21 3.70 0.38 1.61 -0.00 -1.26 -5.07 118.94 115.08 2x3v s TRP 302 Ca 0.63 1.70 -0.01 0.00 -0.00 0.00 0.00 56.10 58.42 2x3v s TRP 302 Cb -0.15 -3.13 -0.03 0.00 -0.00 0.00 0.00 33.47 30.15 2x3v s TRP 302 CO 0.54 -0.08 0.60 -0.80 -0.00 0.00 0.00 176.95 177.21 2x3v s ASN 303 N 0.54 6.27 0.00 5.86 0.02 -1.26 -5.37 114.94 121.00 2x3v s ASN 303 Ca 0.50 0.55 0.29 0.00 -1.02 0.00 0.00 52.86 53.18 2x3v s ASN 303 Cb -0.23 -2.06 1.19 0.00 0.02 0.00 0.00 41.25 40.16 2x3v s ASN 303 CO 0.29 -0.37 1.82 -0.81 0.02 0.00 0.00 177.10 178.06