#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1vre s LEU 2 N 0.00 2.04 0.00 0.99 1.43 -1.26 -5.04 118.68 116.84 1vre s LEU 2 Ca 0.00 1.95 0.02 0.00 -1.03 0.00 0.00 54.13 55.07 1vre s LEU 2 Cb 0.00 -4.13 -0.01 0.00 0.03 0.00 0.00 46.19 42.08 1vre s LEU 2 CO 0.00 -3.60 0.06 -1.54 0.23 0.00 0.00 176.35 171.51 1vre n SER 3 N -4.54 0.26 0.00 2.29 3.41 -1.26 -4.93 113.62 108.85 1vre n SER 3 Ca 0.08 -1.58 0.11 0.00 -0.26 0.00 0.00 58.87 57.22 1vre n SER 3 Cb 0.53 0.38 0.46 0.00 -0.26 0.00 0.00 64.21 65.32 1vre n SER 3 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 1vre n ALA 4 N -2.43 1.99 -0.09 7.33 0.00 -1.26 -2.33 120.51 123.73 1vre n ALA 4 Ca -0.04 -0.07 -0.18 0.00 0.00 0.00 0.00 53.44 53.15 1vre n ALA 4 Cb 0.16 -1.35 -0.06 0.00 0.00 0.00 0.00 19.45 18.20 1vre n ALA 4 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1vre n ALA 5 N -1.51 1.88 -0.20 0.00 0.00 -1.26 -4.31 120.51 115.11 1vre n ALA 5 Ca 0.05 -0.69 -0.06 0.00 0.00 0.00 0.00 53.44 52.74 1vre n ALA 5 Cb 0.26 0.27 0.03 0.00 0.00 0.00 0.00 19.45 20.01 1vre n ALA 5 CO 0.00 0.00 0.00 1.96 0.00 0.00 0.00 177.50 179.46 1vre h GLN 6 N -0.62 0.76 -0.26 0.00 4.20 -1.94 -0.13 115.11 117.12 1vre h GLN 6 Ca -0.44 -0.05 0.08 0.00 0.06 0.00 0.00 58.65 58.30 1vre h GLN 6 Cb 1.38 -0.17 -0.01 0.00 0.30 0.00 0.00 27.48 28.98 1vre h GLN 6 CO -0.26 0.51 0.20 -0.09 -0.67 0.00 0.00 178.83 178.52 1vre h ARG 7 N 0.78 0.00 0.09 1.46 2.43 -1.72 -0.65 114.38 116.78 1vre h ARG 7 Ca 0.21 0.00 -0.28 0.00 -0.81 0.00 0.00 59.98 59.10 1vre h ARG 7 Cb -0.08 0.00 -0.01 0.00 -0.42 0.00 0.00 29.97 29.46 1vre h ARG 7 CO -0.04 0.00 -1.38 0.37 -1.51 0.00 0.00 179.97 177.40 1vre h GLN 8 N 0.00 0.20 0.00 0.20 5.75 -1.38 -3.24 115.11 116.65 1vre h GLN 8 Ca 0.12 -0.34 0.00 0.00 -0.15 0.00 0.00 58.65 58.28 1vre h GLN 8 Cb 0.52 0.13 0.00 0.00 1.07 0.00 0.00 27.48 29.20 1vre h GLN 8 CO -0.00 1.08 0.00 0.28 -2.65 0.00 0.00 178.83 177.54 1vre h VAL 9 N 0.05 0.00 -0.04 2.39 2.07 0.43 -2.77 116.25 118.39 1vre h VAL 9 Ca -0.18 -0.36 -0.07 0.00 0.82 0.00 0.00 66.70 66.91 1vre h VAL 9 Cb 1.97 1.34 0.00 0.00 -1.52 0.00 0.00 31.29 33.08 1vre h VAL 9 CO 0.16 0.00 -0.24 0.58 0.02 0.00 0.00 177.57 178.09 1vre h VAL 10 N 0.00 1.47 0.00 2.57 2.07 -1.38 -2.32 116.25 118.66 1vre h VAL 10 Ca 0.00 -1.74 0.00 0.00 0.82 0.00 0.00 66.70 65.78 1vre h VAL 10 Cb 0.37 2.48 0.00 0.00 -1.52 0.00 0.00 31.29 32.62 1vre h VAL 10 CO 0.00 0.48 0.00 0.00 0.02 0.00 0.00 177.57 178.07 1vre n ALA 11 N -2.50 1.68 0.07 1.67 0.00 -1.11 -1.97 120.51 118.35 1vre n ALA 11 Ca -0.09 0.06 0.08 0.00 0.00 0.00 0.00 53.44 53.50 1vre n ALA 11 Cb 0.47 -1.37 -0.05 0.00 0.00 0.00 0.00 19.45 18.50 1vre n ALA 11 CO 0.00 0.00 0.00 0.43 0.00 0.00 0.00 177.50 177.93 1vre n SER 12 N -2.13 0.72 0.00 0.00 7.64 -1.06 -3.53 113.62 115.26 1vre n SER 12 Ca 0.02 0.29 0.11 0.00 1.01 0.00 0.00 58.87 60.30 1vre n SER 12 Cb 0.23 0.59 -0.06 0.00 -1.01 0.00 0.00 64.21 63.96 1vre n SER 12 CO 0.00 0.00 0.00 0.35 -3.01 0.00 0.00 175.04 172.38 1vre n THR 13 N -2.68 0.04 -0.01 0.44 -2.24 -0.88 -4.22 114.28 104.72 1vre n THR 13 Ca -0.04 -0.14 -0.05 0.00 -2.27 0.00 0.00 64.05 61.55 1vre n THR 13 Cb 0.64 0.58 -0.12 0.00 -2.10 0.00 0.00 70.33 69.32 1vre n THR 13 CO 0.00 0.00 0.00 1.87 -0.57 0.00 0.00 175.07 176.37 1vre n TRP 14 N -1.74 0.81 0.63 4.78 -0.00 -0.83 -3.05 117.44 118.03 1vre n TRP 14 Ca 0.02 0.28 0.10 0.00 -0.00 0.00 0.00 57.50 57.90 1vre n TRP 14 Cb 0.40 -1.10 0.42 0.00 -0.00 0.00 0.00 31.31 31.03 1vre n TRP 14 CO 0.00 0.00 0.00 1.63 -0.00 0.00 0.00 177.69 179.32 1vre n LYS 15 N -2.91 0.04 -0.11 5.87 5.02 -1.23 -1.44 118.16 123.40 1vre n LYS 15 Ca -0.16 0.20 -0.21 0.00 -2.02 0.00 0.00 58.31 56.13 1vre n LYS 15 Cb 0.97 -1.57 -0.08 0.00 -0.02 0.00 0.00 35.03 34.33 1vre n LYS 15 CO 0.00 0.00 0.00 -0.25 -0.52 0.00 0.00 177.40 176.63 1vre n ASP 16 N -1.65 1.83 -0.10 4.39 8.00 -1.25 -3.79 116.55 123.99 1vre n ASP 16 Ca 0.04 0.15 -0.13 0.00 0.71 0.00 0.00 54.79 55.56 1vre n ASP 16 Cb 0.24 -0.55 -0.02 0.00 -0.02 0.00 0.00 41.12 40.78 1vre n ASP 16 CO 0.00 0.00 0.00 0.40 -0.39 0.00 0.00 177.20 177.21 1vre h ILE 17 N -0.53 1.27 -0.93 0.53 2.04 -1.59 -3.07 117.51 115.23 1vre h ILE 17 Ca -0.53 -1.62 -0.55 0.00 1.00 0.00 0.00 64.86 63.16 1vre h ILE 17 Cb 1.57 1.47 -0.29 0.00 -0.74 0.00 0.00 36.82 38.83 1vre h ILE 17 CO -0.25 0.54 0.61 0.00 0.00 0.00 0.00 178.15 179.04 1vre n ALA 18 N -2.55 5.76 0.15 1.87 0.00 -0.52 -4.16 120.51 121.06 1vre n ALA 18 Ca -0.03 -3.19 -0.08 0.00 0.00 0.00 0.00 53.44 50.13 1vre n ALA 18 Cb 0.57 -1.46 -0.05 0.00 0.00 0.00 0.00 19.45 18.51 1vre n ALA 18 CO 0.00 0.00 0.00 0.78 0.00 0.00 0.00 177.50 178.28 1vre h GLY 19 N 1.45 -0.93 0.00 0.00 0.00 -1.63 -3.00 103.07 98.96 1vre h GLY 19 Ca 0.58 0.41 -0.15 0.00 0.00 0.00 0.00 47.33 48.17 1vre h GLY 19 CO 1.22 -0.31 -1.57 -1.14 0.00 0.00 0.00 176.54 174.74 1vre n SER 20 N -3.75 3.06 0.20 0.19 3.41 -1.26 -4.52 113.62 110.95 1vre n SER 20 Ca -0.06 -0.02 0.13 0.00 -0.26 0.00 0.00 58.87 58.67 1vre n SER 20 Cb 0.22 0.38 0.38 0.00 -0.26 0.00 0.00 64.21 64.93 1vre n SER 20 CO 0.00 0.00 0.00 -2.24 -0.16 0.00 0.00 175.04 172.64 1vre h ASP 21 N 0.00 0.00 -1.21 4.04 2.03 -1.82 -3.46 116.42 116.00 1vre h ASP 21 Ca -0.23 0.00 -0.38 0.00 -0.73 0.00 0.00 57.03 55.69 1vre h ASP 21 Cb 1.45 0.00 -0.14 0.00 -0.83 0.00 0.00 39.33 39.81 1vre h ASP 21 CO -0.01 0.00 -0.35 -3.20 -1.03 0.00 0.00 179.24 174.65 1vre n ASN 22 N -2.83 -4.94 0.00 4.15 5.15 -1.13 -0.54 115.26 115.13 1vre n ASN 22 Ca 0.03 0.44 0.00 0.00 -0.60 0.00 0.00 54.58 54.46 1vre n ASN 22 Cb 0.42 -4.40 0.00 0.00 -0.53 0.00 0.00 39.78 35.28 1vre n ASN 22 CO 0.00 0.00 0.00 0.61 1.40 0.00 0.00 177.26 179.27 1vre n GLY 23 N -0.38 1.06 0.19 8.20 0.00 -1.26 -3.93 105.19 109.08 1vre n GLY 23 Ca -0.19 -0.13 -0.13 0.00 0.00 0.00 0.00 46.02 45.57 1vre n GLY 23 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1vre h ALA 24 N 0.00 -0.38 0.00 4.61 0.00 -1.11 -2.39 119.26 119.98 1vre h ALA 24 Ca 0.00 -0.18 0.00 0.00 0.00 0.00 0.00 54.91 54.73 1vre h ALA 24 Cb 0.02 0.15 0.00 0.00 0.00 0.00 0.00 17.79 17.96 1vre h ALA 24 CO 0.00 -0.54 0.00 0.41 0.00 0.00 0.00 179.25 179.12 1vre n GLY 25 N -0.28 -0.97 0.14 0.00 0.00 -1.26 -3.03 105.19 99.78 1vre n GLY 25 Ca -0.09 -0.16 -0.21 0.00 0.00 0.00 0.00 46.02 45.56 1vre n GLY 25 CO 0.00 0.00 0.00 -0.62 0.00 0.00 0.00 173.32 172.70 1vre n VAL 26 N -0.90 1.73 -0.07 1.61 0.31 -1.06 -3.75 118.33 116.21 1vre n VAL 26 Ca 0.19 -0.63 -0.13 0.00 -0.01 0.00 0.00 64.34 63.76 1vre n VAL 26 Cb 0.09 -1.69 -0.12 0.00 -0.91 0.00 0.00 33.84 31.20 1vre n VAL 26 CO 0.00 0.00 0.00 1.23 -1.32 0.00 0.00 176.83 176.74 1vre h GLY 27 N 1.18 -0.00 0.53 2.92 0.00 -1.46 -1.10 103.07 105.14 1vre h GLY 27 Ca -0.45 0.00 0.21 0.00 0.00 0.00 0.00 47.33 47.09 1vre h GLY 27 CO 0.05 -0.00 0.53 0.07 0.00 0.00 0.00 176.54 177.19 1vre h LYS 28 N -0.97 0.02 0.00 4.80 2.10 -1.70 0.23 116.57 121.05 1vre h LYS 28 Ca -0.00 -0.00 -0.08 0.00 -2.00 0.00 0.00 60.65 58.57 1vre h LYS 28 Cb 0.92 -0.01 -0.01 0.00 -0.90 0.00 0.00 32.23 32.23 1vre h LYS 28 CO 0.00 0.02 -1.37 -0.85 -2.00 0.00 0.00 179.45 175.25 1vre n GLU 29 N -4.33 0.62 -0.03 0.07 0.28 -1.23 -3.79 120.64 112.23 1vre n GLU 29 Ca 0.15 0.11 -0.01 0.00 -0.16 0.00 0.00 57.16 57.25 1vre n GLU 29 Cb 0.79 -1.76 -0.00 0.00 1.43 0.00 0.00 31.44 31.90 1vre n GLU 29 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 177.13 176.97 1vre h PHE 31 N -0.46 0.00 0.79 0.00 0.04 -1.15 -1.33 116.94 114.82 1vre h PHE 31 Ca 0.00 0.00 -0.04 0.00 2.80 0.00 0.00 57.97 60.73 1vre h PHE 31 Cb 0.07 0.00 0.01 0.00 2.20 0.00 0.00 35.95 38.23 1vre h PHE 31 CO -0.03 0.00 -0.38 1.15 -0.60 0.00 0.00 178.31 178.45 1vre h THR 32 N 0.00 0.00 -1.00 -1.55 2.02 -1.69 0.29 112.91 110.99 1vre h THR 32 Ca 0.51 -0.13 0.23 0.00 0.77 0.00 0.00 66.41 67.79 1vre h THR 32 Cb 2.13 0.00 -0.10 0.00 -1.74 0.00 0.00 68.15 68.44 1vre h THR 32 CO -0.01 0.00 0.63 0.11 0.37 0.00 0.00 175.52 176.62 1vre h LYS 33 N -1.19 0.53 0.27 6.66 1.57 -1.29 0.11 116.57 123.23 1vre h LYS 33 Ca -0.11 -0.03 -0.01 0.00 -1.87 0.00 0.00 60.65 58.63 1vre h LYS 33 Cb 0.81 -0.12 0.00 0.00 0.08 0.00 0.00 32.23 33.00 1vre h LYS 33 CO 0.18 0.35 -0.13 0.35 -0.57 0.00 0.00 179.45 179.63 1vre h PHE 34 N 0.55 -0.34 -0.79 -1.35 3.57 -1.20 -0.71 116.94 116.67 1vre h PHE 34 Ca 0.58 -0.01 0.16 0.00 3.53 0.00 0.00 57.97 62.23 1vre h PHE 34 Cb 1.21 0.11 -0.10 0.00 2.79 0.00 0.00 35.95 39.96 1vre h PHE 34 CO -0.00 0.02 0.31 -0.07 -2.23 0.00 0.00 178.31 176.34 1vre h LEU 35 N -0.82 0.27 0.11 0.59 3.38 0.67 1.07 115.31 120.58 1vre h LEU 35 Ca -0.04 0.12 -0.01 0.00 0.09 0.00 0.00 57.88 58.05 1vre h LEU 35 Cb 0.51 0.10 0.00 0.00 0.09 0.00 0.00 40.66 41.37 1vre h LEU 35 CO 0.06 0.08 -0.05 0.77 0.09 0.00 0.00 178.44 179.39 1vre h SER 36 N 0.43 -0.12 0.71 -0.43 4.64 -0.99 -2.66 113.55 115.13 1vre h SER 36 Ca 0.44 -0.24 0.00 0.00 -0.47 0.00 0.00 61.79 61.52 1vre h SER 36 Cb 0.72 0.03 0.00 0.00 -0.31 0.00 0.00 62.40 62.84 1vre h SER 36 CO -0.44 0.18 0.00 0.00 -0.87 0.00 0.00 176.83 175.70 1vre h ALA 37 N 0.43 1.00 -3.51 5.18 0.00 -0.11 -3.37 119.26 118.87 1vre h ALA 37 Ca -0.01 0.00 -0.63 0.00 0.00 0.00 0.00 54.91 54.27 1vre h ALA 37 Cb 0.35 0.00 -0.40 0.00 0.00 0.00 0.00 17.79 17.75 1vre h ALA 37 CO 0.02 0.00 -0.74 -1.01 0.00 0.00 0.00 179.25 177.52 1vre s HIS 38 N -3.76 2.94 -2.21 0.00 3.76 0.36 -4.94 115.29 111.44 1vre s HIS 38 Ca -0.00 -2.44 0.22 0.00 -0.15 0.00 0.00 55.06 52.68 1vre s HIS 38 Cb 0.10 -2.36 0.96 0.00 1.11 0.00 0.00 32.58 32.38 1vre s HIS 38 CO 0.49 -0.91 1.66 0.72 -0.85 0.00 0.00 174.74 175.85 1vre n HIS 39 N 4.50 0.11 0.06 1.40 -0.00 -1.24 -3.20 115.22 116.86 1vre n HIS 39 Ca -0.00 -0.06 0.11 0.00 -0.00 0.00 0.00 57.72 57.77 1vre n HIS 39 Cb 0.42 0.00 -0.06 0.00 -0.00 0.00 0.00 29.99 30.35 1vre n HIS 39 CO 0.00 0.00 0.00 -0.40 -0.00 0.00 0.00 176.34 175.94 1vre n ASP 40 N -0.10 0.57 -0.03 0.41 5.75 -1.26 -4.23 116.55 117.66 1vre n ASP 40 Ca 0.16 0.22 0.03 0.00 -0.01 0.00 0.00 54.79 55.19 1vre n ASP 40 Cb 0.24 0.94 -0.13 0.00 -1.03 0.00 0.00 41.12 41.15 1vre n ASP 40 CO 0.00 0.00 0.00 0.23 -0.11 0.00 0.00 177.20 177.32 1vre n MET 41 N -2.55 0.82 -0.30 0.11 2.81 -1.23 -4.40 117.12 112.38 1vre n MET 41 Ca -0.02 -0.11 0.26 0.00 -1.81 0.00 0.00 57.70 56.02 1vre n MET 41 Cb 0.58 -1.40 0.59 0.00 -0.71 0.00 0.00 33.22 32.28 1vre n MET 41 CO 0.00 0.00 0.00 0.00 1.51 0.00 0.00 175.97 177.48 1vre h ALA 42 N 1.28 2.50 0.00 3.04 0.00 -1.72 1.25 119.26 125.61 1vre h ALA 42 Ca -0.14 0.02 -0.05 0.00 0.00 0.00 0.00 54.91 54.75 1vre h ALA 42 Cb 1.16 0.04 -0.01 0.00 0.00 0.00 0.00 17.79 18.98 1vre h ALA 42 CO 0.01 -0.86 -0.22 0.00 0.00 0.00 0.00 179.25 178.17 1vre h ALA 43 N 1.56 0.88 0.24 0.00 0.00 -1.77 0.13 119.26 120.30 1vre h ALA 43 Ca 0.56 -0.20 -0.01 0.00 0.00 0.00 0.00 54.91 55.25 1vre h ALA 43 Cb 1.67 -0.04 0.00 0.00 0.00 0.00 0.00 17.79 19.43 1vre h ALA 43 CO -0.19 0.28 -0.11 0.28 0.00 0.00 0.00 179.25 179.51 1vre h VAL 44 N 0.00 0.27 -0.78 0.00 2.07 0.13 -3.22 116.25 114.72 1vre h VAL 44 Ca -0.00 -0.88 0.21 0.00 0.82 0.00 0.00 66.70 66.85 1vre h VAL 44 Cb 1.08 0.46 -0.04 0.00 -1.52 0.00 0.00 31.29 31.27 1vre h VAL 44 CO 0.03 0.07 0.55 -0.26 0.02 0.00 0.00 177.57 177.99 1vre h PHE 45 N -1.04 0.13 0.00 1.57 0.04 -1.44 -3.43 116.94 112.78 1vre h PHE 45 Ca -0.03 0.00 0.00 0.00 2.80 0.00 0.00 57.97 60.74 1vre h PHE 45 Cb 0.37 -0.04 0.00 0.00 2.20 0.00 0.00 35.95 38.48 1vre h PHE 45 CO 0.03 0.04 0.00 0.41 -0.60 0.00 0.00 178.31 178.19 1vre n GLY 46 N -1.64 1.94 3.49 -1.45 0.00 -1.17 -5.05 105.19 101.30 1vre n GLY 46 Ca 0.16 0.00 -0.24 0.00 0.00 0.00 0.00 46.02 45.94 1vre n GLY 46 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 1vre s PHE 47 N -2.00 2.15 -0.04 1.61 0.08 0.44 -4.98 117.98 115.25 1vre s PHE 47 Ca 0.00 -0.71 0.16 0.00 0.12 0.00 0.00 56.93 56.50 1vre s PHE 47 Cb 0.00 -1.33 -0.24 0.00 -0.57 0.00 0.00 43.02 40.88 1vre s PHE 47 CO 0.00 0.31 0.32 0.45 -0.10 0.00 0.00 175.22 176.20 1vre n SER 48 N -0.72 1.34 -0.36 1.36 2.88 -1.26 -3.62 113.62 113.24 1vre n SER 48 Ca -0.05 0.00 0.00 0.00 -1.33 0.00 0.00 58.87 57.49 1vre n SER 48 Cb 0.65 1.64 0.00 0.00 -0.75 0.00 0.00 64.21 65.75 1vre n SER 48 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 1vre n GLY 49 N 1.64 1.68 1.78 0.46 0.00 -1.26 -4.95 105.19 104.54 1vre n GLY 49 Ca -0.05 -0.76 -0.14 0.00 0.00 0.00 0.00 46.02 45.07 1vre n GLY 49 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1vre n ALA 50 N -3.00 4.45 -1.73 4.61 0.00 -1.26 -4.05 120.51 119.53 1vre n ALA 50 Ca 0.00 -1.86 0.06 0.00 0.00 0.00 0.00 53.44 51.63 1vre n ALA 50 Cb 0.00 -1.28 0.14 0.00 0.00 0.00 0.00 19.45 18.32 1vre n ALA 50 CO 0.00 0.00 0.00 0.45 0.00 0.00 0.00 177.50 177.95 1vre n SER 51 N -0.50 1.55 -4.42 0.00 2.88 -1.26 -5.00 113.62 106.88 1vre n SER 51 Ca 0.38 -3.25 -0.32 0.00 -1.33 0.00 0.00 58.87 54.35 1vre n SER 51 Cb 1.24 -0.44 -0.14 0.00 -0.75 0.00 0.00 64.21 64.12 1vre n SER 51 CO 0.00 0.00 0.00 1.51 -1.23 0.00 0.00 175.04 175.32 1vre s ASP 52 N -2.78 3.66 0.53 -3.46 -4.77 -1.26 -5.00 116.67 103.59 1vre s ASP 52 Ca 0.34 -0.34 0.31 0.00 -3.30 0.00 0.00 52.55 49.56 1vre s ASP 52 Cb 0.34 -0.63 1.42 0.00 -1.09 0.00 0.00 42.92 42.96 1vre s ASP 52 CO -0.07 0.32 2.03 1.55 0.70 0.00 0.00 175.17 179.69 1vre h PRO 53 N 5.22 0.00 -0.99 2.11 0.13 -1.96 -2.88 132.00 133.63 1vre h PRO 53 Ca -0.46 0.00 0.21 0.00 -0.87 0.00 0.00 66.00 64.88 1vre h PRO 53 Cb 1.14 0.00 -0.10 0.00 0.13 0.00 0.00 31.00 32.17 1vre h PRO 53 CO 0.49 0.10 0.62 0.78 -0.23 0.00 0.00 178.00 179.75 1vre h GLY 54 N 1.39 1.56 0.09 1.56 0.00 -1.94 0.26 103.07 105.99 1vre h GLY 54 Ca -0.00 -0.31 0.20 0.00 0.00 0.00 0.00 47.33 47.22 1vre h GLY 54 CO 0.01 -0.08 0.61 -2.08 0.00 0.00 0.00 176.54 175.01 1vre h VAL 55 N 0.64 0.68 0.00 4.60 2.07 -1.87 1.06 116.25 123.41 1vre h VAL 55 Ca 0.57 -0.25 -0.01 0.00 0.82 0.00 0.00 66.70 67.84 1vre h VAL 55 Cb 1.06 -0.10 -0.00 0.00 -1.52 0.00 0.00 31.29 30.72 1vre h VAL 55 CO -0.34 0.13 -0.03 0.00 0.02 0.00 0.00 177.57 177.35 1vre h ALA 56 N 1.66 1.00 -0.07 1.67 0.00 -0.69 -1.08 119.26 121.75 1vre h ALA 56 Ca 0.59 -0.03 -0.22 0.00 0.00 0.00 0.00 54.91 55.25 1vre h ALA 56 Cb 0.97 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.76 1vre h ALA 56 CO -0.39 0.04 -0.83 0.22 0.00 0.00 0.00 179.25 178.29 1vre h ASP 57 N 0.00 0.69 0.00 0.00 3.58 0.13 -2.54 116.42 118.28 1vre h ASP 57 Ca -0.00 -0.49 -0.05 0.00 0.42 0.00 0.00 57.03 56.92 1vre h ASP 57 Cb 0.63 -0.21 -0.01 0.00 1.72 0.00 0.00 39.33 41.46 1vre h ASP 57 CO 0.00 1.26 -0.43 -0.07 -2.88 0.00 0.00 179.24 177.13 1vre h LEU 58 N 0.36 0.00 -0.61 2.28 3.38 -1.20 -3.07 115.31 116.45 1vre h LEU 58 Ca -0.06 -0.28 0.13 0.00 0.09 0.00 0.00 57.88 57.76 1vre h LEU 58 Cb 1.45 0.00 -0.11 0.00 0.09 0.00 0.00 40.66 42.09 1vre h LEU 58 CO 0.15 0.88 -0.07 1.23 0.09 0.00 0.00 178.44 180.72 1vre h GLY 59 N -1.00 0.55 1.07 0.83 0.00 -1.35 1.65 103.07 104.83 1vre h GLY 59 Ca -0.07 0.14 0.00 0.00 0.00 0.00 0.00 47.33 47.40 1vre h GLY 59 CO -0.04 -0.22 0.59 0.00 0.00 0.00 0.00 176.54 176.86 1vre h ALA 60 N 1.59 1.29 0.00 3.60 0.00 -1.62 0.45 119.26 124.58 1vre h ALA 60 Ca 0.31 -0.08 -0.19 0.00 0.00 0.00 0.00 54.91 54.95 1vre h ALA 60 Cb 0.49 -0.37 -0.03 0.00 0.00 0.00 0.00 17.79 17.88 1vre h ALA 60 CO -0.58 0.63 -0.90 0.87 0.00 0.00 0.00 179.25 179.27 1vre h LYS 61 N 1.27 0.02 0.04 0.00 1.57 -0.49 -3.13 116.57 115.84 1vre h LYS 61 Ca 0.34 -0.02 -0.00 0.00 -1.87 0.00 0.00 60.65 59.09 1vre h LYS 61 Cb -0.10 0.01 0.00 0.00 0.08 0.00 0.00 32.23 32.21 1vre h LYS 61 CO -0.07 0.90 -0.02 0.28 -0.57 0.00 0.00 179.45 179.98 1vre h VAL 62 N 0.01 1.34 -0.68 0.50 2.07 0.29 -3.27 116.25 116.52 1vre h VAL 62 Ca -0.01 -1.70 0.14 0.00 0.82 0.00 0.00 66.70 65.95 1vre h VAL 62 Cb 1.59 2.40 -0.11 0.00 -1.52 0.00 0.00 31.29 33.64 1vre h VAL 62 CO 0.12 0.40 0.06 -0.07 0.02 0.00 0.00 177.57 178.10 1vre h LEU 63 N -0.86 -0.19 -0.87 2.57 -0.00 -0.23 0.17 115.31 115.91 1vre h LEU 63 Ca -0.00 0.16 0.20 0.00 -0.00 0.00 0.00 57.88 58.23 1vre h LEU 63 Cb 0.70 0.26 -0.12 0.00 -0.00 0.00 0.00 40.66 41.50 1vre h LEU 63 CO 0.01 -0.10 0.38 0.00 -0.00 0.00 0.00 178.44 178.73 1vre h ALA 64 N 1.60 1.35 -0.67 1.53 0.00 -1.62 0.21 119.26 121.66 1vre h ALA 64 Ca 0.37 0.14 0.03 0.00 0.00 0.00 0.00 54.91 55.45 1vre h ALA 64 Cb 0.61 0.12 -0.04 0.00 0.00 0.00 0.00 17.79 18.47 1vre h ALA 64 CO -0.54 -0.28 0.41 0.37 0.00 0.00 0.00 179.25 179.21 1vre h GLN 65 N 0.44 0.77 -0.88 0.00 5.75 -0.71 0.48 115.11 120.96 1vre h GLN 65 Ca 0.52 -0.05 0.02 0.00 -0.15 0.00 0.00 58.65 58.99 1vre h GLN 65 Cb 0.92 -0.17 -0.05 0.00 1.07 0.00 0.00 27.48 29.25 1vre h GLN 65 CO -0.48 0.51 0.58 0.82 -2.65 0.00 0.00 178.83 177.61 1vre h ILE 66 N 0.80 1.20 0.24 2.39 2.04 -0.40 0.56 117.51 124.33 1vre h ILE 66 Ca 0.27 -0.40 -0.01 0.00 1.00 0.00 0.00 64.86 65.72 1vre h ILE 66 Cb 0.05 -0.07 0.00 0.00 -0.74 0.00 0.00 36.82 36.06 1vre h ILE 66 CO -0.12 0.21 -0.11 1.23 0.00 0.00 0.00 178.15 179.36 1vre h GLY 67 N 1.17 -0.33 0.77 5.37 0.00 -0.36 0.57 103.07 110.24 1vre h GLY 67 Ca 0.33 0.12 0.17 0.00 0.00 0.00 0.00 47.33 47.95 1vre h GLY 67 CO -0.08 -0.12 0.45 -2.08 0.00 0.00 0.00 176.54 174.71 1vre h VAL 68 N -0.64 0.72 0.03 4.60 2.07 -0.56 0.22 116.25 122.69 1vre h VAL 68 Ca -0.03 -0.04 -0.25 0.00 0.82 0.00 0.00 66.70 67.20 1vre h VAL 68 Cb 0.46 0.60 -0.03 0.00 -1.52 0.00 0.00 31.29 30.80 1vre h VAL 68 CO 0.05 0.02 -1.23 0.00 0.02 0.00 0.00 177.57 176.44 1vre h ALA 69 N 1.69 0.38 0.00 1.67 0.00 -0.46 -3.20 119.26 119.33 1vre h ALA 69 Ca 0.31 -1.03 0.00 0.00 0.00 0.00 0.00 54.91 54.19 1vre h ALA 69 Cb 1.07 0.04 0.00 0.00 0.00 0.00 0.00 17.79 18.89 1vre h ALA 69 CO -0.04 1.26 0.00 0.28 0.00 0.00 0.00 179.25 180.75 1vre h VAL 70 N 0.02 0.00 -0.19 0.00 2.07 0.34 -2.35 116.25 116.13 1vre h VAL 70 Ca -0.11 -0.26 0.00 0.00 0.82 0.00 0.00 66.70 67.15 1vre h VAL 70 Cb 1.87 1.03 0.00 0.00 -1.52 0.00 0.00 31.29 32.67 1vre h VAL 70 CO 0.14 0.00 0.00 -1.20 0.02 0.00 0.00 177.57 176.53 1vre n SER 71 N -2.34 1.15 0.00 0.57 7.64 -0.64 -4.45 113.62 115.54 1vre n SER 71 Ca 0.02 -2.02 0.00 0.00 1.01 0.00 0.00 58.87 57.88 1vre n SER 71 Cb 0.24 -0.17 0.00 0.00 -1.01 0.00 0.00 64.21 63.27 1vre n SER 71 CO 0.00 0.00 0.00 1.41 -3.01 0.00 0.00 175.04 173.44 1vre n HIS 72 N 0.08 0.00 0.00 1.43 8.25 -0.89 -4.95 115.22 119.14 1vre n HIS 72 Ca 0.07 0.00 0.00 0.00 -0.26 0.00 0.00 57.72 57.53 1vre n HIS 72 Cb 0.19 0.11 0.00 0.00 1.12 0.00 0.00 29.99 31.41 1vre n HIS 72 CO 0.00 0.00 0.00 1.28 0.64 0.00 0.00 176.34 178.26 1vre n LEU 73 N -2.06 0.00 -0.05 2.41 7.99 -1.20 -0.68 117.00 123.41 1vre n LEU 73 Ca 0.00 0.00 0.25 0.00 -0.01 0.00 0.00 56.01 56.25 1vre n LEU 73 Cb 0.00 0.00 0.70 0.00 -0.11 0.00 0.00 43.42 44.01 1vre n LEU 73 CO 0.00 0.00 1.23 1.23 -1.51 0.00 0.00 177.39 178.34 1vre h GLY 74 N 0.00 0.00 -7.39 -0.72 0.00 -1.93 -3.07 103.07 89.95 1vre h GLY 74 Ca 0.00 0.00 -0.67 0.00 0.00 0.00 0.00 47.33 46.66 1vre h GLY 74 CO 0.00 0.00 -0.41 0.99 0.00 0.00 0.00 176.54 177.12 1vre s ASP 75 N -5.10 5.08 -0.13 0.19 1.01 0.14 -4.89 116.67 112.98 1vre s ASP 75 Ca -0.04 -3.23 0.08 0.00 0.71 0.00 0.00 52.55 50.07 1vre s ASP 75 Cb 0.17 -1.78 0.45 0.00 1.01 0.00 0.00 42.92 42.78 1vre s ASP 75 CO 0.61 -0.25 1.20 -1.84 0.21 0.00 0.00 175.17 175.10 1vre n GLU 76 N 2.92 3.13 0.20 8.23 0.00 -1.16 -4.11 120.64 129.85 1vre n GLU 76 Ca 0.12 -1.74 0.05 0.00 0.00 0.00 0.00 57.16 55.59 1vre n GLU 76 Cb 0.36 -1.92 0.42 0.00 0.00 0.00 0.00 31.44 30.30 1vre n GLU 76 CO 0.00 0.00 0.00 0.78 0.00 0.00 0.00 177.13 177.91 1vre h GLY 77 N 4.43 0.00 0.00 -1.84 0.00 -1.91 -3.32 103.07 100.42 1vre h GLY 77 Ca 0.01 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.34 1vre h GLY 77 CO 0.28 0.00 -0.85 1.17 0.00 0.00 0.00 176.54 177.14 1vre n LYS 78 N -3.92 3.37 -0.08 4.80 4.81 -1.26 -4.57 118.16 121.31 1vre n LYS 78 Ca -0.02 0.00 -0.12 0.00 -0.87 0.00 0.00 58.31 57.30 1vre n LYS 78 Cb 0.39 -0.92 -0.07 0.00 0.02 0.00 0.00 35.03 34.45 1vre n LYS 78 CO 0.00 0.00 0.00 1.98 1.17 0.00 0.00 177.40 180.55 1vre h MET 79 N 0.00 -0.41 0.00 1.64 4.05 -1.71 0.76 114.93 119.25 1vre h MET 79 Ca 0.00 0.03 -0.01 0.00 -0.28 0.00 0.00 59.70 59.44 1vre h MET 79 Cb 0.84 0.09 -0.00 0.00 -0.80 0.00 0.00 31.60 31.73 1vre h MET 79 CO 0.00 -0.27 -0.04 0.28 0.23 0.00 0.00 176.91 177.11 1vre h VAL 80 N -0.42 0.30 0.00 -5.77 2.07 -1.87 0.22 116.25 110.77 1vre h VAL 80 Ca 0.09 -0.24 -0.02 0.00 0.82 0.00 0.00 66.70 67.35 1vre h VAL 80 Cb 0.62 1.18 -0.00 0.00 -1.52 0.00 0.00 31.29 31.56 1vre h VAL 80 CO -0.52 0.04 -0.09 0.00 0.02 0.00 0.00 177.57 177.02 1vre h ALA 81 N 1.96 0.95 0.01 1.67 0.00 0.10 -2.35 119.26 121.61 1vre h ALA 81 Ca -0.00 -0.08 -0.25 0.00 0.00 0.00 0.00 54.91 54.58 1vre h ALA 81 Cb 0.18 -0.01 -0.03 0.00 0.00 0.00 0.00 17.79 17.92 1vre h ALA 81 CO 0.01 0.11 -1.35 -1.91 0.00 0.00 0.00 179.25 176.11 1vre n GLU 82 N -3.14 0.58 -0.35 0.00 2.13 0.66 -3.86 120.64 116.67 1vre n GLU 82 Ca 0.03 0.55 -0.03 0.00 0.66 0.00 0.00 57.16 58.36 1vre n GLU 82 Cb 0.51 -1.74 0.09 0.00 0.27 0.00 0.00 31.44 30.57 1vre n GLU 82 CO 0.00 0.00 0.00 0.52 -0.41 0.00 0.00 177.13 177.24 1vre h MET 83 N -0.91 1.26 -0.73 5.31 2.86 -1.42 -0.02 114.93 121.27 1vre h MET 83 Ca -0.36 -0.12 0.20 0.00 -2.06 0.00 0.00 59.70 57.36 1vre h MET 83 Cb 1.37 -0.26 -0.04 0.00 0.06 0.00 0.00 31.60 32.73 1vre h MET 83 CO -0.19 0.88 0.52 -0.22 1.06 0.00 0.00 176.91 178.96 1vre h LYS 84 N 1.28 0.11 -0.00 1.72 1.63 -1.54 0.69 116.57 120.45 1vre h LYS 84 Ca 0.33 -0.01 -0.18 0.00 -0.85 0.00 0.00 60.65 59.95 1vre h LYS 84 Cb -0.05 -0.02 -0.02 0.00 -0.60 0.00 0.00 32.23 31.54 1vre h LYS 84 CO -0.06 0.07 -0.82 0.00 -3.45 0.00 0.00 179.45 175.19 1vre h ALA 85 N 1.64 0.62 0.02 5.00 0.00 -1.12 -2.97 119.26 122.47 1vre h ALA 85 Ca 0.36 -0.71 -0.00 0.00 0.00 0.00 0.00 54.91 54.55 1vre h ALA 85 Cb 1.25 -0.10 0.00 0.00 0.00 0.00 0.00 17.79 18.94 1vre h ALA 85 CO -0.04 0.95 -0.01 0.28 0.00 0.00 0.00 179.25 180.42 1vre h VAL 86 N 0.06 1.18 -0.87 0.00 2.07 0.79 -2.78 116.25 116.70 1vre h VAL 86 Ca -0.02 -0.62 0.11 0.00 0.82 0.00 0.00 66.70 66.99 1vre h VAL 86 Cb 1.44 1.59 -0.08 0.00 -1.52 0.00 0.00 31.29 32.72 1vre h VAL 86 CO 0.12 0.16 0.50 1.23 0.02 0.00 0.00 177.57 179.59 1vre h GLY 87 N -0.30 1.38 0.66 2.17 0.00 -1.34 0.52 103.07 106.16 1vre h GLY 87 Ca -0.00 -0.32 0.14 0.00 0.00 0.00 0.00 47.33 47.14 1vre h GLY 87 CO 0.01 0.10 0.54 -2.08 0.00 0.00 0.00 176.54 175.10 1vre h VAL 88 N 0.80 0.31 0.05 4.60 2.07 -1.09 0.82 116.25 123.81 1vre h VAL 88 Ca 0.43 0.00 -0.23 0.00 0.82 0.00 0.00 66.70 67.72 1vre h VAL 88 Cb 0.45 0.57 -0.01 0.00 -1.52 0.00 0.00 31.29 30.78 1vre h VAL 88 CO -0.27 0.00 -1.05 0.03 0.02 0.00 0.00 177.57 176.30 1vre h ARG 89 N 0.00 0.20 -0.02 1.57 2.47 0.12 -3.01 114.38 115.72 1vre h ARG 89 Ca 0.23 -0.29 0.00 0.00 -1.26 0.00 0.00 59.98 58.66 1vre h ARG 89 Cb 1.30 0.10 0.00 0.00 -1.65 0.00 0.00 29.97 29.72 1vre h ARG 89 CO -0.00 1.08 0.00 0.72 0.56 0.00 0.00 179.97 182.33 1vre n HIS 90 N -3.56 0.02 0.98 3.04 8.25 0.28 -3.24 115.22 120.98 1vre n HIS 90 Ca -0.05 -0.01 0.12 0.00 -0.26 0.00 0.00 57.72 57.52 1vre n HIS 90 Cb 0.92 0.00 0.29 0.00 1.12 0.00 0.00 29.99 32.32 1vre n HIS 90 CO 0.00 0.00 0.00 1.17 0.64 0.00 0.00 176.34 178.15 1vre n LYS 91 N -0.67 0.01 -2.67 -0.41 4.81 -0.81 -4.48 118.16 113.94 1vre n LYS 91 Ca 0.13 0.00 -0.04 0.00 -0.87 0.00 0.00 58.31 57.54 1vre n LYS 91 Cb 0.08 -1.51 0.12 0.00 0.02 0.00 0.00 35.03 33.75 1vre n LYS 91 CO 0.00 0.00 0.00 0.41 1.17 0.00 0.00 177.40 178.98 1vre n GLY 92 N 1.49 1.71 0.00 3.14 0.00 -1.20 -4.84 105.19 105.50 1vre n GLY 92 Ca 0.06 -0.15 0.00 0.00 0.00 0.00 0.00 46.02 45.93 1vre n GLY 92 CO 0.00 0.00 0.00 -1.72 0.00 0.00 0.00 173.32 171.60 1vre n TYR 93 N -1.16 -1.94 0.02 1.61 4.01 -1.22 -4.91 117.16 113.57 1vre n TYR 93 Ca -0.12 0.00 -0.12 0.00 -0.16 0.00 0.00 57.90 57.50 1vre n TYR 93 Cb 0.86 0.00 -0.00 0.00 -0.31 0.00 0.00 39.34 39.89 1vre n TYR 93 CO 0.00 0.00 0.00 0.78 -0.46 0.00 0.00 176.86 177.18 1vre h GLY 94 N -0.13 0.60 0.40 2.72 0.00 -1.93 -3.31 103.07 101.43 1vre h GLY 94 Ca 0.00 -0.84 -0.02 0.00 0.00 0.00 0.00 47.33 46.47 1vre h GLY 94 CO 0.00 0.75 -0.16 -0.57 0.00 0.00 0.00 176.54 176.56 1vre h ASN 95 N 0.38 -0.39 0.00 0.19 -1.24 -1.92 -3.46 115.58 109.14 1vre h ASN 95 Ca -0.04 -0.08 0.00 0.00 0.71 0.00 0.00 56.30 56.90 1vre h ASN 95 Cb 1.32 0.10 0.00 0.00 0.73 0.00 0.00 38.32 40.47 1vre h ASN 95 CO 0.14 0.07 0.00 1.17 -1.29 0.00 0.00 177.43 177.52 1vre n LYS 96 N -5.08 0.00 -1.51 6.67 4.81 -1.25 -4.82 118.16 116.98 1vre n LYS 96 Ca -0.07 0.00 -0.35 0.00 -0.87 0.00 0.00 58.31 57.02 1vre n LYS 96 Cb 0.23 -1.65 0.06 0.00 0.02 0.00 0.00 35.03 33.68 1vre n LYS 96 CO 0.00 0.00 0.00 0.72 1.17 0.00 0.00 177.40 179.29 1vre n HIS 97 N -1.90 2.94 -1.68 5.64 8.25 -1.26 -4.96 115.22 122.25 1vre n HIS 97 Ca 0.00 -2.65 -0.31 0.00 -0.26 0.00 0.00 57.72 54.49 1vre n HIS 97 Cb 0.00 -1.33 0.04 0.00 1.12 0.00 0.00 29.99 29.82 1vre n HIS 97 CO 0.00 0.00 0.00 0.42 0.64 0.00 0.00 176.34 177.40 1vre s ILE 98 N -4.59 4.04 -0.02 1.59 1.01 -1.26 -5.07 121.20 116.89 1vre s ILE 98 Ca 0.58 0.71 -0.03 0.00 0.00 0.00 0.00 60.65 61.91 1vre s ILE 98 Cb 0.46 -3.43 0.01 0.00 0.01 0.00 0.00 42.46 39.51 1vre s ILE 98 CO -0.16 -0.81 0.08 -0.54 0.00 0.00 0.00 174.94 173.51 1vre s LYS 99 N -4.88 0.16 0.00 2.79 3.01 -1.26 -5.01 119.74 114.56 1vre s LYS 99 Ca 0.59 0.00 0.25 0.00 -1.01 0.00 0.00 55.97 55.80 1vre s LYS 99 Cb -0.14 0.07 1.48 0.00 -1.01 0.00 0.00 37.83 38.23 1vre s LYS 99 CO 0.52 -0.03 1.95 0.00 0.51 0.00 0.00 175.35 178.30 1vre n ALA 100 N 2.73 2.65 0.09 5.17 0.00 -1.26 -3.39 120.51 126.49 1vre n ALA 100 Ca -0.14 -0.17 -0.13 0.00 0.00 0.00 0.00 53.44 53.00 1vre n ALA 100 Cb 0.59 -1.40 -0.07 0.00 0.00 0.00 0.00 19.45 18.56 1vre n ALA 100 CO 0.00 0.00 0.00 0.93 0.00 0.00 0.00 177.50 178.43 1vre h GLU 101 N 0.08 0.29 -0.00 0.00 5.08 -2.03 -3.10 114.58 114.90 1vre h GLU 101 Ca 0.00 -0.38 0.00 0.00 -1.00 0.00 0.00 59.36 57.98 1vre h GLU 101 Cb 0.02 0.12 0.00 0.00 0.50 0.00 0.00 28.75 29.39 1vre h GLU 101 CO 0.00 1.11 -0.00 0.66 -1.00 0.00 0.00 179.01 179.78 1vre n TYR 102 N -3.63 0.00 0.12 4.33 4.01 -1.22 -3.88 117.16 116.89 1vre n TYR 102 Ca -0.06 0.00 -0.11 0.00 -0.16 0.00 0.00 57.90 57.56 1vre n TYR 102 Cb 0.90 -0.00 -0.07 0.00 -0.31 0.00 0.00 39.34 39.86 1vre n TYR 102 CO 0.00 0.00 0.00 0.74 -0.46 0.00 0.00 176.86 177.14 1vre h PHE 103 N 0.10 -0.32 0.19 -0.72 -1.00 -1.72 -0.24 116.94 113.23 1vre h PHE 103 Ca 0.00 -0.01 -0.01 0.00 2.81 0.00 0.00 57.97 60.77 1vre h PHE 103 Cb 0.02 0.11 -0.00 0.00 3.61 0.00 0.00 35.95 39.69 1vre h PHE 103 CO 0.00 0.04 -0.11 1.49 -1.61 0.00 0.00 178.31 178.12 1vre h GLU 104 N -0.87 -0.27 0.16 1.51 4.81 -1.75 0.34 114.58 118.51 1vre h GLU 104 Ca -0.04 0.02 0.02 0.00 -0.13 0.00 0.00 59.36 59.23 1vre h GLU 104 Cb 0.51 0.06 -0.04 0.00 0.63 0.00 0.00 28.75 29.92 1vre h GLU 104 CO 0.06 -0.18 -0.35 -1.35 -0.73 0.00 0.00 179.01 176.46 1vre h PRO 105 N -0.28 -0.58 -0.53 0.92 0.11 -1.70 0.65 132.00 130.59 1vre h PRO 105 Ca -0.02 0.04 0.13 0.00 0.11 0.00 0.00 66.00 66.26 1vre h PRO 105 Cb 0.23 0.13 -0.03 0.00 0.11 0.00 0.00 31.00 31.45 1vre h PRO 105 CO 0.03 -0.39 0.37 1.25 -0.21 0.00 0.00 178.00 179.05 1vre h LEU 106 N -0.60 0.11 0.00 2.35 7.12 -0.89 -1.52 115.31 121.88 1vre h LEU 106 Ca 0.02 0.00 -0.05 0.00 0.13 0.00 0.00 57.88 57.98 1vre h LEU 106 Cb 0.61 -0.02 0.00 0.00 -0.53 0.00 0.00 40.66 40.73 1vre h LEU 106 CO -0.18 0.06 -0.20 1.23 -0.13 0.00 0.00 178.44 179.22 1vre h GLY 107 N 0.12 0.15 0.03 3.75 0.00 0.10 -3.05 103.07 104.17 1vre h GLY 107 Ca 0.25 -0.27 0.05 0.00 0.00 0.00 0.00 47.33 47.36 1vre h GLY 107 CO -0.03 0.24 -0.40 0.00 0.00 0.00 0.00 176.54 176.35 1vre h ALA 108 N 0.23 -0.53 -0.07 3.60 0.00 0.12 0.74 119.26 123.35 1vre h ALA 108 Ca -0.03 0.00 0.02 0.00 0.00 0.00 0.00 54.91 54.91 1vre h ALA 108 Cb 0.98 0.75 -0.00 0.00 0.00 0.00 0.00 17.79 19.52 1vre h ALA 108 CO 0.04 -0.89 0.26 1.03 0.00 0.00 0.00 179.25 179.69 1vre h SER 109 N -0.46 0.00 -0.05 0.00 0.87 -1.49 -0.92 113.55 111.50 1vre h SER 109 Ca 0.08 0.00 -0.02 0.00 -1.23 0.00 0.00 61.79 60.63 1vre h SER 109 Cb 0.61 0.00 -0.00 0.00 -0.44 0.00 0.00 62.40 62.57 1vre h SER 109 CO -0.40 0.00 -0.04 0.25 -0.53 0.00 0.00 176.83 176.11 1vre h LEU 110 N 0.00 0.12 -1.54 2.23 6.46 0.60 -2.49 115.31 120.69 1vre h LEU 110 Ca 0.03 -0.46 0.13 0.00 -0.12 0.00 0.00 57.88 57.46 1vre h LEU 110 Cb 0.55 -0.03 -0.05 0.00 -0.73 0.00 0.00 40.66 40.39 1vre h LEU 110 CO -0.00 0.55 0.49 -0.07 -0.62 0.00 0.00 178.44 178.79 1vre h LEU 111 N -0.32 0.44 -0.98 2.25 3.38 -0.69 0.42 115.31 119.82 1vre h LEU 111 Ca 0.01 0.02 -0.11 0.00 0.09 0.00 0.00 57.88 57.89 1vre h LEU 111 Cb 0.52 -0.07 -0.01 0.00 0.09 0.00 0.00 40.66 41.18 1vre h LEU 111 CO 0.01 0.24 -0.43 -1.28 0.09 0.00 0.00 178.44 177.07 1vre h SER 112 N 0.48 0.17 0.35 -0.43 0.87 -1.42 -3.05 113.55 110.52 1vre h SER 112 Ca 0.35 -0.07 -0.32 0.00 -1.23 0.00 0.00 61.79 60.52 1vre h SER 112 Cb 0.71 -0.05 0.02 0.00 -0.44 0.00 0.00 62.40 62.64 1vre h SER 112 CO -0.12 0.59 -1.49 0.00 -0.53 0.00 0.00 176.83 175.28 1vre h ALA 113 N 1.42 -0.01 -0.74 6.23 0.00 -0.06 -3.31 119.26 122.79 1vre h ALA 113 Ca 0.01 -0.94 0.15 0.00 0.00 0.00 0.00 54.91 54.13 1vre h ALA 113 Cb 0.83 0.20 -0.10 0.00 0.00 0.00 0.00 17.79 18.72 1vre h ALA 113 CO 0.06 0.86 0.24 0.52 0.00 0.00 0.00 179.25 180.94 1vre h MET 114 N 0.12 0.34 -0.49 0.00 2.07 -0.26 0.63 114.93 117.35 1vre h MET 114 Ca -0.25 -0.02 0.14 0.00 -2.07 0.00 0.00 59.70 57.51 1vre h MET 114 Cb 2.10 -0.08 -0.02 0.00 -1.87 0.00 0.00 31.60 31.74 1vre h MET 114 CO 0.23 0.23 0.62 1.49 1.07 0.00 0.00 176.91 180.55 1vre h GLU 115 N 0.35 0.00 0.01 1.72 4.22 -1.62 0.27 114.58 119.53 1vre h GLU 115 Ca 0.41 0.00 0.01 0.00 0.08 0.00 0.00 59.36 59.87 1vre h GLU 115 Cb 0.67 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 29.91 1vre h GLU 115 CO -0.45 0.00 -0.06 0.45 -2.18 0.00 0.00 179.01 176.77 1vre h HIS 116 N 0.00 -0.15 0.15 0.92 3.86 0.11 1.52 115.15 121.57 1vre h HIS 116 Ca 0.23 0.00 -0.01 0.00 -1.16 0.00 0.00 60.37 59.44 1vre h HIS 116 Cb 1.48 0.07 0.00 0.00 1.06 0.00 0.00 27.41 30.02 1vre h HIS 116 CO 0.00 -0.10 -0.07 -0.09 0.86 0.00 0.00 177.93 178.53 1vre h ARG 117 N -0.11 -0.20 -2.30 2.45 1.12 -1.07 -3.34 114.38 110.94 1vre h ARG 117 Ca 0.02 0.01 -0.63 0.00 -1.11 0.00 0.00 59.98 58.28 1vre h ARG 117 Cb 0.14 0.05 -0.40 0.00 -0.01 0.00 0.00 29.97 29.75 1vre h ARG 117 CO -0.06 0.15 -0.36 0.44 -3.11 0.00 0.00 179.97 177.04 1vre n ILE 118 N -5.01 3.21 0.32 1.20 -5.35 -1.07 -4.83 119.36 107.84 1vre n ILE 118 Ca -0.09 -5.49 0.05 0.00 -0.27 0.00 0.00 62.75 56.95 1vre n ILE 118 Cb 0.23 -1.78 0.23 0.00 -1.74 0.00 0.00 39.64 36.58 1vre n ILE 118 CO 0.00 0.00 0.00 0.61 -1.76 0.00 0.00 176.55 175.40 1vre n GLY 119 N 0.39 -0.85 0.09 3.28 0.00 0.52 -0.33 105.19 108.29 1vre n GLY 119 Ca 0.31 -0.02 -0.12 0.00 0.00 0.00 0.00 46.02 46.19 1vre n GLY 119 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1vre n GLY 120 N -0.52 -0.27 0.12 -0.02 0.00 -1.26 -4.55 105.19 98.69 1vre n GLY 120 Ca 0.02 -0.12 0.01 0.00 0.00 0.00 0.00 46.02 45.93 1vre n GLY 120 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 1vre h LYS 121 N 0.00 0.00 -5.44 1.61 1.79 -1.91 -3.41 116.57 109.21 1vre h LYS 121 Ca -0.40 0.00 -0.21 0.00 -2.18 0.00 0.00 60.65 57.86 1vre h LYS 121 Cb 1.63 0.00 -0.03 0.00 -1.58 0.00 0.00 32.23 32.25 1vre h LYS 121 CO -0.06 0.51 0.63 1.41 -1.08 0.00 0.00 179.45 180.86 1vre s MET 122 N -2.92 2.11 0.12 3.15 1.75 0.55 -4.85 119.30 119.21 1vre s MET 122 Ca 0.02 -0.56 -0.01 0.00 -1.25 0.00 0.00 55.69 53.89 1vre s MET 122 Cb 0.08 -5.08 0.03 0.00 2.84 0.00 0.00 34.83 32.70 1vre s MET 122 CO 0.77 -4.22 0.17 0.27 -0.65 0.00 0.00 175.02 171.36 1vre n ASN 123 N 15.99 0.14 -0.15 1.11 6.94 -1.26 -4.80 115.26 133.22 1vre n ASN 123 Ca 0.43 -1.14 -0.08 0.00 -0.02 0.00 0.00 54.58 53.78 1vre n ASN 123 Cb 0.46 -0.12 0.01 0.00 -2.36 0.00 0.00 39.78 37.77 1vre n ASN 123 CO 0.00 0.00 0.00 0.00 -1.03 0.00 0.00 177.26 176.23 1vre h ALA 124 N -0.99 0.58 -0.01 -2.53 0.00 -1.99 -1.45 119.26 112.87 1vre h ALA 124 Ca -0.05 -0.07 -0.01 0.00 0.00 0.00 0.00 54.91 54.78 1vre h ALA 124 Cb 0.18 -0.18 -0.00 0.00 0.00 0.00 0.00 17.79 17.79 1vre h ALA 124 CO 0.05 0.08 -0.04 0.00 0.00 0.00 0.00 179.25 179.34 1vre h ALA 125 N 1.12 1.91 -0.03 0.00 0.00 -1.96 0.44 119.26 120.74 1vre h ALA 125 Ca 0.16 -0.04 -0.01 0.00 0.00 0.00 0.00 54.91 55.01 1vre h ALA 125 Cb 0.01 -0.01 -0.00 0.00 0.00 0.00 0.00 17.79 17.79 1vre h ALA 125 CO -0.03 0.07 -0.03 0.00 0.00 0.00 0.00 179.25 179.25 1vre h ALA 126 N 1.94 0.05 -0.01 0.00 0.00 -1.62 0.52 119.26 120.14 1vre h ALA 126 Ca 0.00 -0.27 -0.14 0.00 0.00 0.00 0.00 54.91 54.51 1vre h ALA 126 Cb 0.08 -0.01 -0.02 0.00 0.00 0.00 0.00 17.79 17.85 1vre h ALA 126 CO 0.01 -0.17 -0.62 1.57 0.00 0.00 0.00 179.25 180.03 1vre h LYS 127 N -0.39 0.06 0.10 0.00 2.10 -0.90 -2.26 116.57 115.28 1vre h LYS 127 Ca 0.00 -0.04 -0.26 0.00 -2.00 0.00 0.00 60.65 58.35 1vre h LYS 127 Cb 0.54 0.01 0.00 0.00 -0.90 0.00 0.00 32.23 31.88 1vre h LYS 127 CO 0.01 0.66 -1.16 0.22 -2.00 0.00 0.00 179.45 177.18 1vre h ASP 128 N 0.04 0.45 -0.16 7.07 1.82 -0.10 -1.05 116.42 124.50 1vre h ASP 128 Ca -0.01 -0.45 -0.03 0.00 -0.39 0.00 0.00 57.03 56.16 1vre h ASP 128 Cb 1.11 -0.14 -0.01 0.00 0.68 0.00 0.00 39.33 40.97 1vre h ASP 128 CO 0.08 1.32 -0.01 0.00 -1.61 0.00 0.00 179.24 179.02 1vre h ALA 129 N 0.62 0.21 0.00 -0.78 0.00 0.14 -2.76 119.26 116.69 1vre h ALA 129 Ca -0.12 -0.21 -0.10 0.00 0.00 0.00 0.00 54.91 54.48 1vre h ALA 129 Cb 1.87 -0.06 -0.01 0.00 0.00 0.00 0.00 17.79 19.58 1vre h ALA 129 CO 0.19 -0.07 -0.46 -1.49 0.00 0.00 0.00 179.25 177.42 1vre h TRP 130 N 0.01 0.00 0.00 0.00 6.55 -1.49 -0.33 115.95 120.69 1vre h TRP 130 Ca 0.04 0.00 0.00 0.00 0.95 0.00 0.00 58.89 59.88 1vre h TRP 130 Cb 0.40 0.00 0.00 0.00 -0.86 0.00 0.00 29.16 28.70 1vre h TRP 130 CO 0.04 0.46 0.00 0.00 -1.05 0.00 0.00 178.44 177.89 1vre h ALA 131 N 1.54 1.00 0.00 1.49 0.00 -0.91 0.44 119.26 122.82 1vre h ALA 131 Ca -0.00 0.00 -0.15 0.00 0.00 0.00 0.00 54.91 54.75 1vre h ALA 131 Cb 0.99 0.00 -0.03 0.00 0.00 0.00 0.00 17.79 18.75 1vre h ALA 131 CO 0.06 0.00 -1.61 0.00 0.00 0.00 0.00 179.25 177.70 1vre n ALA 132 N -1.80 1.82 0.00 0.00 0.00 -0.84 -4.43 120.51 115.25 1vre n ALA 132 Ca -0.00 -0.58 -0.20 0.00 0.00 0.00 0.00 53.44 52.66 1vre n ALA 132 Cb 0.11 0.03 -0.14 0.00 0.00 0.00 0.00 19.45 19.45 1vre n ALA 132 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1vre h ALA 133 N 0.48 0.06 0.00 0.00 0.00 -0.65 -3.14 119.26 116.02 1vre h ALA 133 Ca -0.23 -0.87 0.00 0.00 0.00 0.00 0.00 54.91 53.82 1vre h ALA 133 Cb 1.48 0.29 0.00 0.00 0.00 0.00 0.00 17.79 19.56 1vre h ALA 133 CO 0.01 0.53 0.07 0.10 0.00 0.00 0.00 179.25 179.96 1vre h TYR 134 N -0.49 0.00 0.06 0.00 -0.00 -0.36 0.30 116.97 116.48 1vre h TYR 134 Ca -0.20 0.00 -0.28 0.00 -0.00 0.00 0.00 58.73 58.25 1vre h TYR 134 Cb 1.57 0.00 -0.02 0.00 -0.00 0.00 0.00 36.73 38.28 1vre h TYR 134 CO 0.17 0.00 -1.43 0.00 -0.00 0.00 0.00 178.16 176.90 1vre h ALA 135 N 1.85 0.39 0.15 0.10 0.00 -1.71 -2.80 119.26 117.24 1vre h ALA 135 Ca 0.00 -1.13 -0.29 0.00 0.00 0.00 0.00 54.91 53.49 1vre h ALA 135 Cb 0.14 0.21 0.01 0.00 0.00 0.00 0.00 17.79 18.15 1vre h ALA 135 CO 0.00 1.26 -1.28 0.22 0.00 0.00 0.00 179.25 179.45 1vre h ASP 136 N 0.04 0.56 0.67 0.00 1.82 -0.67 0.85 116.42 119.68 1vre h ASP 136 Ca -0.19 -0.58 -0.03 0.00 -0.39 0.00 0.00 57.03 55.84 1vre h ASP 136 Cb 1.95 -0.18 0.01 0.00 0.68 0.00 0.00 39.33 41.79 1vre h ASP 136 CO 0.14 1.44 -0.32 0.40 -1.61 0.00 0.00 179.24 179.29 1vre h ILE 137 N 0.11 0.00 0.00 2.25 2.04 -0.68 -0.79 117.51 120.45 1vre h ILE 137 Ca -0.16 -0.20 -0.02 0.00 1.00 0.00 0.00 64.86 65.49 1vre h ILE 137 Cb 1.99 0.00 -0.00 0.00 -0.74 0.00 0.00 36.82 38.07 1vre h ILE 137 CO 0.22 0.00 -0.08 -1.28 0.00 0.00 0.00 178.15 177.01 1vre h SER 138 N -1.10 0.00 0.18 1.72 0.87 -1.62 -2.96 113.55 110.64 1vre h SER 138 Ca -0.09 0.00 -0.01 0.00 -1.23 0.00 0.00 61.79 60.46 1vre h SER 138 Cb 0.69 0.00 0.00 0.00 -0.44 0.00 0.00 62.40 62.66 1vre h SER 138 CO 0.15 0.08 -0.09 1.23 -0.53 0.00 0.00 176.83 177.67 1vre h GLY 139 N 1.22 -0.26 0.71 5.77 0.00 -0.60 -2.61 103.07 107.30 1vre h GLY 139 Ca -0.00 0.10 0.12 0.00 0.00 0.00 0.00 47.33 47.54 1vre h GLY 139 CO 0.01 -0.09 0.53 0.00 0.00 0.00 0.00 176.54 176.99 1vre h ALA 140 N 0.06 2.09 0.00 3.60 0.00 -0.97 1.02 119.26 125.06 1vre h ALA 140 Ca -0.03 -0.01 -0.04 0.00 0.00 0.00 0.00 54.91 54.83 1vre h ALA 140 Cb 0.47 0.03 -0.01 0.00 0.00 0.00 0.00 17.79 18.28 1vre h ALA 140 CO 0.04 -0.74 -0.19 1.25 0.00 0.00 0.00 179.25 179.61 1vre h LEU 141 N 0.00 0.00 -0.23 0.00 6.46 -1.48 -2.79 115.31 117.28 1vre h LEU 141 Ca 0.19 0.00 0.00 0.00 -0.12 0.00 0.00 57.88 57.95 1vre h LEU 141 Cb 1.25 0.00 0.00 0.00 -0.73 0.00 0.00 40.66 41.18 1vre h LEU 141 CO -0.00 0.19 0.00 -0.38 -0.62 0.00 0.00 178.44 177.62 1vre n ILE 142 N -3.25 0.06 -0.07 4.05 5.41 0.35 -2.70 119.36 123.22 1vre n ILE 142 Ca 0.01 -0.08 -0.16 0.00 1.00 0.00 0.00 62.75 63.53 1vre n ILE 142 Cb 0.48 -0.07 -0.14 0.00 -0.71 0.00 0.00 39.64 39.19 1vre n ILE 142 CO 0.00 0.00 0.00 -0.24 0.00 0.00 0.00 176.55 176.31 1vre n SER 143 N -0.46 1.41 -0.73 4.38 2.88 -1.05 -4.34 113.62 115.71 1vre n SER 143 Ca 0.09 0.09 0.07 0.00 -1.33 0.00 0.00 58.87 57.79 1vre n SER 143 Cb 0.09 -0.19 0.19 0.00 -0.75 0.00 0.00 64.21 63.56 1vre n SER 143 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 1vre n GLY 144 N 1.95 3.33 1.11 0.46 0.00 -1.23 -4.44 105.19 106.37 1vre n GLY 144 Ca -0.34 -0.65 0.12 0.00 0.00 0.00 0.00 46.02 45.15 1vre n GLY 144 CO 0.00 0.00 0.00 -0.10 0.00 0.00 0.00 173.32 173.22 1vre n LEU 145 N 0.04 3.36 -3.62 0.99 0.00 -1.10 -1.88 117.00 114.80 1vre n LEU 145 Ca 0.15 -1.38 -0.37 0.00 0.00 0.00 0.00 56.01 54.42 1vre n LEU 145 Cb 0.62 -0.19 -0.01 0.00 0.00 0.00 0.00 43.42 43.84 1vre n LEU 145 CO 0.11 0.69 0.84 0.00 0.00 0.00 0.00 177.39 179.03 1vre n GLN 146 N 1.47 4.14 -0.33 1.96 6.02 -1.26 -4.50 117.38 124.88 1vre n GLN 146 Ca 0.18 -4.66 0.00 0.00 -0.01 0.00 0.00 57.00 52.51 1vre n GLN 146 Cb 0.61 -2.41 0.00 0.00 1.02 0.00 0.00 30.24 29.46 1vre n GLN 146 CO 0.00 0.00 0.00 -1.13 -1.01 0.00 0.00 177.06 174.92