#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 3.11 0.00 0.99 2.01 -1.26 -5.07 118.68 118.46 1vre s LEU 2 Ca 0.00 1.51 0.00 0.00 0.01 0.00 0.00 54.13 55.65 1vre s LEU 2 Cb 0.00 -4.41 0.00 0.00 0.01 0.00 0.00 46.19 41.79 1vre s LEU 2 CO 0.00 -1.31 0.01 -1.54 1.01 0.00 0.00 176.35 174.52 1vre n SER 3 N -3.04 0.26 0.09 2.29 3.41 -1.26 -4.82 113.62 110.56 1vre n SER 3 Ca 0.07 -1.02 -0.05 0.00 -0.26 0.00 0.00 58.87 57.61 1vre n SER 3 Cb 0.54 -0.01 0.01 0.00 -0.26 0.00 0.00 64.21 64.50 1vre n SER 3 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 1vre h ALA 4 N 0.55 0.63 0.11 7.33 0.00 -1.99 -2.56 119.26 123.33 1vre h ALA 4 Ca -0.00 -0.75 -0.25 0.00 0.00 0.00 0.00 54.91 53.91 1vre h ALA 4 Cb 0.02 -0.13 -0.00 0.00 0.00 0.00 0.00 17.79 17.68 1vre h ALA 4 CO 0.01 1.03 -1.25 0.00 0.00 0.00 0.00 179.25 179.03 1vre h ALA 5 N 1.16 0.13 0.69 0.00 0.00 -1.99 -3.26 119.26 115.99 1vre h ALA 5 Ca -0.01 -1.01 -0.03 0.00 0.00 0.00 0.00 54.91 53.86 1vre h ALA 5 Cb 1.47 0.42 0.01 0.00 0.00 0.00 0.00 17.79 19.68 1vre h ALA 5 CO 0.11 0.71 -0.33 1.96 0.00 0.00 0.00 179.25 181.70 1vre h GLN 6 N -0.39 -0.90 -0.86 0.00 4.20 -1.95 0.08 115.11 115.30 1vre h GLN 6 Ca -0.27 0.06 0.25 0.00 0.06 0.00 0.00 58.65 58.75 1vre h GLN 6 Cb 1.68 0.20 -0.03 0.00 0.30 0.00 0.00 27.48 29.63 1vre h GLN 6 CO 0.05 -0.57 0.71 0.07 -0.67 0.00 0.00 178.83 178.42 1vre h ARG 7 N -1.05 0.00 0.17 1.46 -0.00 -1.64 0.57 114.38 113.88 1vre h ARG 7 Ca -0.10 0.00 -0.31 0.00 -0.00 0.00 0.00 59.98 59.57 1vre h ARG 7 Cb 0.74 0.00 0.03 0.00 -0.00 0.00 0.00 29.97 30.74 1vre h ARG 7 CO 0.16 0.00 -1.33 0.37 -0.00 0.00 0.00 179.97 179.16 1vre h GLN 8 N 0.00 0.59 -0.21 0.08 5.75 -1.45 -2.53 115.11 117.34 1vre h GLN 8 Ca 0.41 -0.86 -0.08 0.00 -0.15 0.00 0.00 58.65 57.96 1vre h GLN 8 Cb 1.83 0.30 -0.01 0.00 1.07 0.00 0.00 27.48 30.66 1vre h GLN 8 CO -0.00 1.40 -0.23 0.28 -2.65 0.00 0.00 178.83 177.63 1vre h VAL 9 N 0.23 1.25 -0.10 2.39 2.07 0.20 -1.70 116.25 120.58 1vre h VAL 9 Ca -0.21 -1.17 -0.04 0.00 0.82 0.00 0.00 66.70 66.10 1vre h VAL 9 Cb 2.01 1.34 -0.00 0.00 -1.52 0.00 0.00 31.29 33.12 1vre h VAL 9 CO 0.25 0.37 -0.08 0.58 0.02 0.00 0.00 177.57 178.71 1vre h VAL 10 N 0.35 1.35 0.00 2.57 2.07 -0.77 -1.91 116.25 119.91 1vre h VAL 10 Ca 0.06 -1.20 0.00 0.00 0.82 0.00 0.00 66.70 66.38 1vre h VAL 10 Cb 0.60 1.91 0.00 0.00 -1.52 0.00 0.00 31.29 32.29 1vre h VAL 10 CO 0.04 0.34 0.00 0.00 0.02 0.00 0.00 177.57 177.97 1vre n ALA 11 N -2.38 1.51 0.02 1.67 0.00 -0.95 -1.30 120.51 119.08 1vre n ALA 11 Ca -0.07 0.09 -0.01 0.00 0.00 0.00 0.00 53.44 53.45 1vre n ALA 11 Cb 0.31 -1.34 -0.09 0.00 0.00 0.00 0.00 19.45 18.33 1vre n ALA 11 CO 0.00 0.00 0.00 0.45 0.00 0.00 0.00 177.50 177.95 1vre n SER 12 N -2.12 0.81 0.00 0.00 2.88 -0.65 -3.64 113.62 110.90 1vre n SER 12 Ca 0.01 0.36 0.11 0.00 -1.33 0.00 0.00 58.87 58.02 1vre n SER 12 Cb 0.18 0.21 -0.02 0.00 -0.75 0.00 0.00 64.21 63.83 1vre n SER 12 CO 0.00 0.00 0.00 0.35 -1.23 0.00 0.00 175.04 174.16 1vre n THR 13 N -2.88 0.00 0.12 2.46 -2.24 -0.75 -4.12 114.28 106.88 1vre n THR 13 Ca -0.11 -0.01 0.11 0.00 -2.27 0.00 0.00 64.05 61.77 1vre n THR 13 Cb 0.86 0.78 -0.03 0.00 -2.10 0.00 0.00 70.33 69.83 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 -1.52 0.70 0.86 4.78 -0.00 -0.42 -3.10 117.44 118.74 1vre n TRP 14 Ca 0.04 0.20 0.13 0.00 -0.00 0.00 0.00 57.50 57.88 1vre n TRP 14 Cb 0.34 -0.82 0.47 0.00 -0.00 0.00 0.00 31.31 31.30 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 -2.52 0.10 -0.09 5.87 5.02 -1.24 -2.36 118.16 122.94 1vre n LYS 15 Ca -0.01 0.07 -0.15 0.00 -2.02 0.00 0.00 58.31 56.20 1vre n LYS 15 Cb 0.54 -1.60 -0.05 0.00 -0.02 0.00 0.00 35.03 33.90 1vre n LYS 15 CO 0.00 0.00 0.00 -3.47 -0.52 0.00 0.00 177.40 173.41 1vre n ASP 16 N -1.77 1.72 -0.10 4.39 -0.08 -1.25 -3.80 116.55 115.65 1vre n ASP 16 Ca 0.06 0.29 -0.03 0.00 -1.51 0.00 0.00 54.79 53.60 1vre n ASP 16 Cb 0.37 -0.67 0.19 0.00 2.34 0.00 0.00 41.12 43.35 1vre n ASP 16 CO 0.00 0.00 0.00 0.40 0.12 0.00 0.00 177.20 177.72 1vre h ILE 17 N -0.83 1.23 -0.93 5.18 2.04 -1.71 -2.49 117.51 120.00 1vre h ILE 17 Ca -0.26 -0.89 -0.54 0.00 1.00 0.00 0.00 64.86 64.17 1vre h ILE 17 Cb 1.13 0.79 -0.29 0.00 -0.74 0.00 0.00 36.82 37.71 1vre h ILE 17 CO -0.16 0.32 0.62 0.00 0.00 0.00 0.00 178.15 178.93 1vre n ALA 18 N -2.47 5.73 -1.00 1.87 0.00 -1.00 -4.00 120.51 119.64 1vre n ALA 18 Ca 0.03 -3.15 0.00 0.00 0.00 0.00 0.00 53.44 50.32 1vre n ALA 18 Cb 0.26 -1.46 0.00 0.00 0.00 0.00 0.00 19.45 18.25 1vre n ALA 18 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1vre n GLY 19 N -1.06 -2.30 0.06 0.00 0.00 -0.94 -2.50 105.19 98.45 1vre n GLY 19 Ca 0.58 0.13 0.03 0.00 0.00 0.00 0.00 46.02 46.76 1vre n GLY 19 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 1vre n SER 20 N -0.30 0.18 0.19 1.61 3.41 -1.26 -4.17 113.62 113.28 1vre n SER 20 Ca 0.00 0.07 0.12 0.00 -0.26 0.00 0.00 58.87 58.80 1vre n SER 20 Cb 0.00 1.33 0.14 0.00 -0.26 0.00 0.00 64.21 65.41 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 -2.30 4.04 2.03 -1.83 -3.47 116.42 114.89 1vre h ASP 21 Ca -0.19 -0.00 -0.35 0.00 -0.73 0.00 0.00 57.03 55.76 1vre h ASP 21 Cb 1.47 0.00 -0.08 0.00 -0.83 0.00 0.00 39.33 39.90 1vre h ASP 21 CO 0.02 0.00 -0.38 -3.20 -1.03 0.00 0.00 179.24 174.64 1vre n ASN 22 N -2.98 -4.80 0.00 4.15 5.15 -1.04 -0.88 115.26 114.85 1vre n ASN 22 Ca 0.03 0.25 0.00 0.00 -0.60 0.00 0.00 54.58 54.26 1vre n ASN 22 Cb 0.53 -4.17 0.00 0.00 -0.53 0.00 0.00 39.78 35.61 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 -0.63 1.30 0.12 8.20 0.00 -1.26 -3.84 105.19 109.07 1vre n GLY 23 Ca -0.19 -0.18 -0.12 0.00 0.00 0.00 0.00 46.02 45.53 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 -0.18 0.00 4.61 0.00 -1.32 -2.09 119.26 120.29 1vre h ALA 24 Ca 0.00 -0.22 0.00 0.00 0.00 0.00 0.00 54.91 54.69 1vre h ALA 24 Cb 0.09 0.07 0.00 0.00 0.00 0.00 0.00 17.79 17.95 1vre h ALA 24 CO 0.00 -0.35 0.00 0.41 0.00 0.00 0.00 179.25 179.31 1vre n GLY 25 N 0.19 -1.41 0.11 0.00 0.00 -1.26 -2.73 105.19 100.10 1vre n GLY 25 Ca -0.09 -0.01 -0.18 0.00 0.00 0.00 0.00 46.02 45.75 1vre n GLY 25 CO 0.00 0.00 0.00 -2.08 0.00 0.00 0.00 173.32 171.24 1vre h VAL 26 N 0.00 1.31 0.12 1.61 2.07 -1.90 -3.01 116.25 116.45 1vre h VAL 26 Ca 0.00 -2.89 -0.27 0.00 0.82 0.00 0.00 66.70 64.37 1vre h VAL 26 Cb 0.49 2.87 0.03 0.00 -1.52 0.00 0.00 31.29 33.16 1vre h VAL 26 CO 0.00 0.85 -1.11 1.23 0.02 0.00 0.00 177.57 178.56 1vre h GLY 27 N 1.43 0.61 2.00 2.17 0.00 -1.30 -0.59 103.07 107.39 1vre h GLY 27 Ca -0.20 -1.31 -0.06 0.00 0.00 0.00 0.00 47.33 45.76 1vre h GLY 27 CO 0.19 1.15 -0.29 0.07 0.00 0.00 0.00 176.54 177.66 1vre h LYS 28 N 0.11 0.00 0.00 4.80 2.10 -1.65 -1.24 116.57 120.70 1vre h LYS 28 Ca -0.17 0.00 -0.03 0.00 -2.00 0.00 0.00 60.65 58.45 1vre h LYS 28 Cb 1.81 0.00 -0.01 0.00 -0.90 0.00 0.00 32.23 33.14 1vre h LYS 28 CO 0.21 0.29 -1.31 -0.85 -2.00 0.00 0.00 179.45 175.79 1vre n GLU 29 N -4.13 0.62 -0.05 0.07 0.28 -1.13 -3.50 120.64 112.80 1vre n GLU 29 Ca -0.02 0.06 -0.01 0.00 -0.16 0.00 0.00 57.16 57.03 1vre n GLU 29 Cb 0.34 -1.75 -0.00 0.00 1.43 0.00 0.00 31.44 31.46 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 -0.99 0.28 -0.16 0.00 0.04 -1.45 -2.20 116.94 112.47 1vre h PHE 31 Ca 0.00 0.01 0.05 0.00 2.80 0.00 0.00 57.97 60.83 1vre h PHE 31 Cb 0.14 -0.09 -0.06 0.00 2.20 0.00 0.00 35.95 38.14 1vre h PHE 31 CO -0.06 0.15 -0.25 1.79 -0.60 0.00 0.00 178.31 179.33 1vre h THR 32 N 0.27 0.39 0.04 -1.55 1.35 -1.69 0.13 112.91 111.85 1vre h THR 32 Ca 0.19 0.00 0.00 0.00 -0.55 0.00 0.00 66.41 66.05 1vre h THR 32 Cb 0.40 0.39 -0.00 0.00 -1.73 0.00 0.00 68.15 67.21 1vre h THR 32 CO -0.04 0.00 -0.03 0.11 -0.25 0.00 0.00 175.52 175.31 1vre h LYS 33 N -0.31 -0.08 -0.62 4.72 1.57 -1.50 -1.23 116.57 119.13 1vre h LYS 33 Ca 0.11 0.01 0.12 0.00 -1.87 0.00 0.00 60.65 59.02 1vre h LYS 33 Cb 0.47 0.02 -0.10 0.00 0.08 0.00 0.00 32.23 32.70 1vre h LYS 33 CO -0.33 -0.05 0.08 0.35 -0.57 0.00 0.00 179.45 178.93 1vre h PHE 34 N -0.08 0.11 -0.43 -1.35 3.57 -1.17 0.65 116.94 118.24 1vre h PHE 34 Ca -0.00 0.04 -0.00 0.00 3.53 0.00 0.00 57.97 61.53 1vre h PHE 34 Cb 0.07 0.05 -0.02 0.00 2.79 0.00 0.00 35.95 38.84 1vre h PHE 34 CO -0.09 -0.09 0.25 -0.07 -2.23 0.00 0.00 178.31 176.09 1vre h LEU 35 N 0.20 0.53 0.33 0.59 3.38 -0.35 0.51 115.31 120.50 1vre h LEU 35 Ca 0.33 -0.07 -0.02 0.00 0.09 0.00 0.00 57.88 58.21 1vre h LEU 35 Cb 0.51 -0.13 0.00 0.00 0.09 0.00 0.00 40.66 41.13 1vre h LEU 35 CO -0.46 0.44 -0.16 0.77 0.09 0.00 0.00 178.44 179.12 1vre h SER 36 N 0.57 -0.38 0.09 -0.43 4.64 0.09 -2.95 113.55 115.18 1vre h SER 36 Ca 0.15 -0.17 -0.01 0.00 -0.47 0.00 0.00 61.79 61.30 1vre h SER 36 Cb 0.02 0.10 -0.00 0.00 -0.31 0.00 0.00 62.40 62.20 1vre h SER 36 CO -0.03 0.00 -0.04 0.00 -0.87 0.00 0.00 176.83 175.90 1vre h ALA 37 N -0.33 1.58 -3.65 5.18 0.00 0.27 -3.37 119.26 118.94 1vre h ALA 37 Ca -0.05 -0.04 -0.62 0.00 0.00 0.00 0.00 54.91 54.20 1vre h ALA 37 Cb 0.52 -0.01 -0.38 0.00 0.00 0.00 0.00 17.79 17.93 1vre h ALA 37 CO 0.07 0.05 -0.79 -1.01 0.00 0.00 0.00 179.25 177.58 1vre s HIS 38 N -4.63 2.56 -1.17 0.00 3.76 0.18 -4.96 115.29 111.03 1vre s HIS 38 Ca -0.04 -1.84 0.26 0.00 -0.15 0.00 0.00 55.06 53.28 1vre s HIS 38 Cb 0.15 -1.65 0.61 0.00 1.11 0.00 0.00 32.58 32.80 1vre s HIS 38 CO 0.59 -0.79 1.48 0.72 -0.85 0.00 0.00 174.74 175.89 1vre n HIS 39 N 4.63 0.00 0.49 1.40 -0.00 -1.23 -3.48 115.22 117.02 1vre n HIS 39 Ca -0.13 0.00 0.13 0.00 -0.00 0.00 0.00 57.72 57.72 1vre n HIS 39 Cb 0.44 -0.23 0.29 0.00 -0.00 0.00 0.00 29.99 30.48 1vre n HIS 39 CO 0.00 0.00 0.00 0.38 -0.00 0.00 0.00 176.34 176.72 1vre h ASP 40 N 0.25 0.00 0.00 0.41 3.04 -1.93 -3.27 116.42 114.92 1vre h ASP 40 Ca 0.00 -0.04 0.00 0.00 -3.24 0.00 0.00 57.03 53.75 1vre h ASP 40 Cb 0.50 0.00 0.00 0.00 -1.04 0.00 0.00 39.33 38.79 1vre h ASP 40 CO 0.00 0.02 -1.48 0.23 -2.04 0.00 0.00 179.24 175.97 1vre n MET 41 N -2.47 0.83 -0.01 4.15 2.81 -1.24 -4.33 117.12 116.86 1vre n MET 41 Ca 0.04 -0.11 -0.09 0.00 -1.81 0.00 0.00 57.70 55.74 1vre n MET 41 Cb 0.46 -1.36 -0.03 0.00 -0.71 0.00 0.00 33.22 31.59 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 1.76 -0.05 0.00 3.04 0.00 -1.61 0.33 119.26 122.72 1vre h ALA 42 Ca 0.00 0.06 -0.04 0.00 0.00 0.00 0.00 54.91 54.93 1vre h ALA 42 Cb 0.66 0.33 -0.01 0.00 0.00 0.00 0.00 17.79 18.77 1vre h ALA 42 CO 0.00 -0.60 -0.21 0.00 0.00 0.00 0.00 179.25 178.44 1vre h ALA 43 N 0.90 1.39 0.29 0.00 0.00 -1.74 0.71 119.26 120.81 1vre h ALA 43 Ca 0.10 -0.19 -0.01 0.00 0.00 0.00 0.00 54.91 54.81 1vre h ALA 43 Cb 0.34 -0.03 0.00 0.00 0.00 0.00 0.00 17.79 18.09 1vre h ALA 43 CO -0.27 0.27 -0.14 0.28 0.00 0.00 0.00 179.25 179.39 1vre h VAL 44 N 0.00 0.63 -0.22 0.00 2.07 -1.06 -3.02 116.25 114.65 1vre h VAL 44 Ca -0.00 -0.77 0.07 0.00 0.82 0.00 0.00 66.70 66.81 1vre h VAL 44 Cb 0.45 0.98 -0.01 0.00 -1.52 0.00 0.00 31.29 31.19 1vre h VAL 44 CO 0.03 0.13 0.18 -0.26 0.02 0.00 0.00 177.57 177.67 1vre h PHE 45 N -0.87 0.00 0.00 1.57 0.04 -0.34 -3.41 116.94 113.93 1vre h PHE 45 Ca -0.04 0.00 0.00 0.00 2.80 0.00 0.00 57.97 60.73 1vre h PHE 45 Cb 0.52 0.00 0.00 0.00 2.20 0.00 0.00 35.95 38.67 1vre h PHE 45 CO 0.04 0.00 0.00 0.41 -0.60 0.00 0.00 178.31 178.16 1vre n GLY 46 N -1.53 1.98 3.53 -1.45 0.00 -0.79 -5.05 105.19 101.87 1vre n GLY 46 Ca 0.02 0.00 -0.25 0.00 0.00 0.00 0.00 46.02 45.80 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 2.03 -0.16 1.61 0.08 0.17 -4.97 117.98 114.74 1vre s PHE 47 Ca 0.00 -0.96 0.18 0.00 0.12 0.00 0.00 56.93 56.27 1vre s PHE 47 Cb 0.00 -1.39 0.39 0.00 -0.57 0.00 0.00 43.02 41.45 1vre s PHE 47 CO 0.00 0.06 1.27 0.45 -0.10 0.00 0.00 175.22 176.90 1vre n SER 48 N -0.91 3.05 0.00 1.36 2.88 -1.26 -3.48 113.62 115.26 1vre n SER 48 Ca -0.05 -3.02 0.00 0.00 -1.33 0.00 0.00 58.87 54.46 1vre n SER 48 Cb 0.66 -0.47 0.00 0.00 -0.75 0.00 0.00 64.21 63.65 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 -0.98 0.44 1.66 0.46 0.00 -1.26 -4.87 105.19 100.64 1vre n GLY 49 Ca 0.18 -1.68 -0.08 0.00 0.00 0.00 0.00 46.02 44.44 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 -0.70 4.11 -1.59 4.61 0.00 -1.26 -4.05 120.51 121.62 1vre n ALA 50 Ca 0.00 -1.65 0.06 0.00 0.00 0.00 0.00 53.44 51.85 1vre n ALA 50 Cb 0.00 -1.22 0.19 0.00 0.00 0.00 0.00 19.45 18.42 1vre n ALA 50 CO 0.00 0.00 0.00 0.43 0.00 0.00 0.00 177.50 177.93 1vre n SER 51 N -0.21 1.73 -4.29 0.00 7.64 -1.26 -5.01 113.62 112.21 1vre n SER 51 Ca 0.31 -3.66 -0.32 0.00 1.01 0.00 0.00 58.87 56.22 1vre n SER 51 Cb 1.12 -0.50 -0.16 0.00 -1.01 0.00 0.00 64.21 63.66 1vre n SER 51 CO 0.00 0.00 0.00 -1.81 -3.01 0.00 0.00 175.04 170.22 1vre s ASP 52 N -3.09 3.21 0.58 6.43 1.11 -1.26 -4.99 116.67 118.66 1vre s ASP 52 Ca 0.37 -0.47 0.36 0.00 0.18 0.00 0.00 52.55 52.98 1vre s ASP 52 Cb 0.36 -0.88 1.70 0.00 1.07 0.00 0.00 42.92 45.16 1vre s ASP 52 CO -0.06 0.25 2.12 1.55 1.18 0.00 0.00 175.17 180.20 1vre h PRO 53 N 6.04 0.00 -0.91 8.23 0.13 -1.96 -2.72 132.00 140.81 1vre h PRO 53 Ca -0.33 0.00 0.18 0.00 -0.87 0.00 0.00 66.00 64.99 1vre h PRO 53 Cb 1.18 0.00 -0.07 0.00 0.13 0.00 0.00 31.00 32.23 1vre h PRO 53 CO 0.48 0.03 0.59 0.78 -0.23 0.00 0.00 178.00 179.65 1vre h GLY 54 N 1.21 1.11 0.35 1.56 0.00 -1.94 0.10 103.07 105.46 1vre h GLY 54 Ca -0.00 -0.25 0.13 0.00 0.00 0.00 0.00 47.33 47.21 1vre h GLY 54 CO 0.00 0.01 0.47 -2.08 0.00 0.00 0.00 176.54 174.95 1vre h VAL 55 N 0.55 0.81 0.00 4.60 2.07 -1.86 0.54 116.25 122.95 1vre h VAL 55 Ca 0.48 -0.25 -0.01 0.00 0.82 0.00 0.00 66.70 67.74 1vre h VAL 55 Cb 0.99 0.03 -0.00 0.00 -1.52 0.00 0.00 31.29 30.79 1vre h VAL 55 CO -0.22 0.13 -0.05 0.00 0.02 0.00 0.00 177.57 177.46 1vre h ALA 56 N 1.52 1.04 0.18 1.67 0.00 -1.00 -1.60 119.26 121.07 1vre h ALA 56 Ca 0.45 -0.04 -0.31 0.00 0.00 0.00 0.00 54.91 55.01 1vre h ALA 56 Cb 0.54 -0.01 0.02 0.00 0.00 0.00 0.00 17.79 18.34 1vre h ALA 56 CO -0.31 0.06 -1.42 -0.44 0.00 0.00 0.00 179.25 177.14 1vre h ASP 57 N 0.00 0.59 0.18 0.00 3.32 0.17 -2.78 116.42 117.89 1vre h ASP 57 Ca -0.00 -0.67 -0.01 0.00 0.02 0.00 0.00 57.03 56.37 1vre h ASP 57 Cb 0.43 -0.19 0.00 0.00 0.22 0.00 0.00 39.33 39.79 1vre h ASP 57 CO 0.01 1.53 -0.09 -0.07 -1.72 0.00 0.00 179.24 178.90 1vre h LEU 58 N 0.10 -0.21 -0.48 1.55 3.38 -0.82 -2.59 115.31 116.25 1vre h LEU 58 Ca -0.21 0.01 0.10 0.00 0.09 0.00 0.00 57.88 57.86 1vre h LEU 58 Cb 2.06 0.05 -0.09 0.00 0.09 0.00 0.00 40.66 42.77 1vre h LEU 58 CO 0.22 0.19 -0.16 1.23 0.09 0.00 0.00 178.44 180.01 1vre h GLY 59 N -0.91 0.27 0.53 0.83 0.00 -1.48 0.86 103.07 103.18 1vre h GLY 59 Ca -0.02 0.20 0.14 0.00 0.00 0.00 0.00 47.33 47.65 1vre h GLY 59 CO 0.04 -0.20 0.57 0.00 0.00 0.00 0.00 176.54 176.96 1vre h ALA 60 N 1.39 1.82 0.00 3.60 0.00 -1.61 0.99 119.26 125.45 1vre h ALA 60 Ca 0.23 0.02 -0.14 0.00 0.00 0.00 0.00 54.91 55.02 1vre h ALA 60 Cb 0.40 -0.13 -0.02 0.00 0.00 0.00 0.00 17.79 18.04 1vre h ALA 60 CO -0.52 -0.06 -0.66 0.87 0.00 0.00 0.00 179.25 178.88 1vre h LYS 61 N 0.70 0.00 0.02 0.00 1.57 0.04 -3.23 116.57 115.68 1vre h LYS 61 Ca 0.45 0.00 -0.08 0.00 -1.87 0.00 0.00 60.65 59.15 1vre h LYS 61 Cb 0.71 0.00 -0.00 0.00 0.08 0.00 0.00 32.23 33.01 1vre h LYS 61 CO -0.21 0.63 -0.40 0.28 -0.57 0.00 0.00 179.45 179.18 1vre h VAL 62 N 0.00 1.56 -0.74 0.50 2.07 0.33 -3.32 116.25 116.66 1vre h VAL 62 Ca -0.01 -2.34 0.17 0.00 0.82 0.00 0.00 66.70 65.33 1vre h VAL 62 Cb 1.50 3.12 -0.12 0.00 -1.52 0.00 0.00 31.29 34.27 1vre h VAL 62 CO 0.08 0.57 0.09 -0.07 0.02 0.00 0.00 177.57 178.26 1vre h LEU 63 N -0.89 -0.18 -0.40 2.57 -0.00 0.75 -0.06 115.31 117.09 1vre h LEU 63 Ca -0.10 0.17 0.08 0.00 -0.00 0.00 0.00 57.88 58.04 1vre h LEU 63 Cb 1.17 0.27 -0.09 0.00 -0.00 0.00 0.00 40.66 42.01 1vre h LEU 63 CO -0.02 -0.12 -0.23 0.00 -0.00 0.00 0.00 178.44 178.08 1vre h ALA 64 N 1.65 0.04 -0.68 1.53 0.00 -1.66 0.53 119.26 120.68 1vre h ALA 64 Ca 0.41 0.14 0.13 0.00 0.00 0.00 0.00 54.91 55.59 1vre h ALA 64 Cb 0.72 0.53 -0.10 0.00 0.00 0.00 0.00 17.79 18.94 1vre h ALA 64 CO -0.59 -0.60 0.18 0.37 0.00 0.00 0.00 179.25 178.62 1vre h GLN 65 N -0.15 0.30 -0.94 0.00 5.75 -1.11 0.36 115.11 119.31 1vre h GLN 65 Ca 0.19 -0.02 0.06 0.00 -0.15 0.00 0.00 58.65 58.74 1vre h GLN 65 Cb 0.46 -0.07 -0.06 0.00 1.07 0.00 0.00 27.48 28.88 1vre h GLN 65 CO -0.50 0.20 0.61 0.82 -2.65 0.00 0.00 178.83 177.31 1vre h ILE 66 N 0.30 1.08 0.34 2.39 2.04 -0.63 0.45 117.51 123.49 1vre h ILE 66 Ca 0.37 -0.37 -0.02 0.00 1.00 0.00 0.00 64.86 65.84 1vre h ILE 66 Cb 0.58 -0.10 0.00 0.00 -0.74 0.00 0.00 36.82 36.56 1vre h ILE 66 CO -0.44 0.20 -0.16 1.23 0.00 0.00 0.00 178.15 178.98 1vre h GLY 67 N 1.09 -0.48 1.37 5.37 0.00 0.82 0.58 103.07 111.82 1vre h GLY 67 Ca 0.40 0.18 0.09 0.00 0.00 0.00 0.00 47.33 48.00 1vre h GLY 67 CO -0.15 -0.17 0.23 -2.08 0.00 0.00 0.00 176.54 174.36 1vre h VAL 68 N -0.66 0.82 0.03 4.60 2.07 -0.58 -0.38 116.25 122.15 1vre h VAL 68 Ca -0.05 0.00 -0.25 0.00 0.82 0.00 0.00 66.70 67.22 1vre h VAL 68 Cb 0.47 0.84 -0.03 0.00 -1.52 0.00 0.00 31.29 31.05 1vre h VAL 68 CO 0.08 0.00 -1.28 0.00 0.02 0.00 0.00 177.57 176.38 1vre h ALA 69 N 1.84 0.43 0.00 1.67 0.00 -0.43 -3.23 119.26 119.53 1vre h ALA 69 Ca 0.15 -1.08 0.00 0.00 0.00 0.00 0.00 54.91 53.98 1vre h ALA 69 Cb 0.60 0.09 0.00 0.00 0.00 0.00 0.00 17.79 18.48 1vre h ALA 69 CO -0.00 1.30 0.00 0.28 0.00 0.00 0.00 179.25 180.83 1vre h VAL 70 N 0.02 0.00 -0.01 0.00 2.07 0.19 0.71 116.25 119.22 1vre h VAL 70 Ca -0.13 -0.06 0.00 0.00 0.82 0.00 0.00 66.70 67.33 1vre h VAL 70 Cb 1.89 0.88 0.00 0.00 -1.52 0.00 0.00 31.29 32.54 1vre h VAL 70 CO 0.13 0.00 -0.06 -0.24 0.02 0.00 0.00 177.57 177.42 1vre n SER 71 N -2.77 1.28 -2.75 0.57 2.88 -1.12 -4.20 113.62 107.51 1vre n SER 71 Ca -0.02 -1.30 -0.15 0.00 -1.33 0.00 0.00 58.87 56.07 1vre n SER 71 Cb 0.09 0.03 0.01 0.00 -0.75 0.00 0.00 64.21 63.59 1vre n SER 71 CO 0.00 0.00 0.00 1.41 -1.23 0.00 0.00 175.04 175.22 1vre n HIS 72 N -0.11 1.47 -0.04 0.66 8.25 0.24 -4.86 115.22 120.83 1vre n HIS 72 Ca 0.18 -3.11 -0.14 0.00 -0.26 0.00 0.00 57.72 54.39 1vre n HIS 72 Cb 0.34 -0.35 -0.14 0.00 1.12 0.00 0.00 29.99 30.96 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 -0.07 1.59 0.17 2.41 4.77 -1.23 -4.06 117.00 120.57 1vre n LEU 73 Ca 0.18 0.21 0.04 0.00 -0.03 0.00 0.00 56.01 56.40 1vre n LEU 73 Cb 0.74 -0.34 0.25 0.00 -2.33 0.00 0.00 43.42 41.74 1vre n LEU 73 CO 0.27 0.63 0.60 1.23 -1.33 0.00 0.00 177.39 178.79 1vre h GLY 74 N 2.61 0.00 -7.21 -0.72 0.00 -1.89 -3.38 103.07 92.49 1vre h GLY 74 Ca -0.41 0.00 -0.62 0.00 0.00 0.00 0.00 47.33 46.30 1vre h GLY 74 CO 0.05 0.00 -0.71 0.99 0.00 0.00 0.00 176.54 176.87 1vre s ASP 75 N -6.52 4.02 -0.33 0.19 1.01 -1.26 -4.96 116.67 108.84 1vre s ASP 75 Ca 0.00 -2.49 0.01 0.00 0.71 0.00 0.00 52.55 50.78 1vre s ASP 75 Cb 0.11 -1.23 0.33 0.00 1.01 0.00 0.00 42.92 43.13 1vre s ASP 75 CO 0.71 -0.30 1.78 -1.84 0.21 0.00 0.00 175.17 175.73 1vre n GLU 76 N 3.75 1.86 0.15 8.23 0.28 -1.26 -4.19 120.64 129.46 1vre n GLU 76 Ca 0.05 -1.84 0.11 0.00 -0.16 0.00 0.00 57.16 55.32 1vre n GLU 76 Cb 0.36 -1.72 0.07 0.00 1.43 0.00 0.00 31.44 31.58 1vre n GLU 76 CO 0.00 0.00 0.00 0.78 -0.16 0.00 0.00 177.13 177.75 1vre h GLY 77 N 2.33 0.00 0.00 -1.84 0.00 -1.93 -3.38 103.07 98.25 1vre h GLY 77 Ca 0.37 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.70 1vre h GLY 77 CO 0.79 0.00 -0.74 1.17 0.00 0.00 0.00 176.54 177.76 1vre n LYS 78 N -2.88 1.87 -0.30 4.80 3.00 -1.26 -4.71 118.16 118.67 1vre n LYS 78 Ca 0.01 0.00 0.20 0.00 -0.00 0.00 0.00 58.31 58.53 1vre n LYS 78 Cb 0.56 -0.87 0.48 0.00 0.00 0.00 0.00 35.03 35.20 1vre n LYS 78 CO 0.00 0.00 0.00 1.98 0.00 0.00 0.00 177.40 179.38 1vre h MET 79 N 0.00 0.44 0.00 1.64 4.05 -1.77 1.48 114.93 120.77 1vre h MET 79 Ca 0.00 -0.03 0.00 0.00 -0.28 0.00 0.00 59.70 59.39 1vre h MET 79 Cb 0.74 -0.10 0.00 0.00 -0.80 0.00 0.00 31.60 31.44 1vre h MET 79 CO 0.00 0.29 0.00 0.28 0.23 0.00 0.00 176.91 177.71 1vre n VAL 80 N -4.61 0.02 0.04 -5.77 0.31 -1.26 -2.64 118.33 104.42 1vre n VAL 80 Ca 0.23 0.00 -0.09 0.00 -0.01 0.00 0.00 64.34 64.47 1vre n VAL 80 Cb 0.78 -0.58 -0.13 0.00 -0.91 0.00 0.00 33.84 33.00 1vre n VAL 80 CO 0.00 0.00 0.00 0.00 -1.32 0.00 0.00 176.83 175.51 1vre h ALA 81 N 3.64 0.46 0.04 3.52 0.00 0.18 -3.14 119.26 123.96 1vre h ALA 81 Ca 0.00 -1.11 -0.36 0.00 0.00 0.00 0.00 54.91 53.44 1vre h ALA 81 Cb 0.03 0.11 -0.05 0.00 0.00 0.00 0.00 17.79 17.89 1vre h ALA 81 CO 0.00 1.32 -2.07 -1.91 0.00 0.00 0.00 179.25 176.60 1vre n GLU 82 N -3.28 0.65 -0.06 0.00 4.07 -1.17 -4.00 120.64 116.85 1vre n GLU 82 Ca -0.08 0.31 -0.08 0.00 -0.06 0.00 0.00 57.16 57.25 1vre n GLU 82 Cb 0.99 -1.62 -0.02 0.00 -0.06 0.00 0.00 31.44 30.73 1vre n GLU 82 CO 0.00 0.00 0.00 0.52 -0.06 0.00 0.00 177.13 177.59 1vre h MET 83 N -0.44 -0.00 -0.97 5.31 2.86 -1.68 -0.42 114.93 119.59 1vre h MET 83 Ca -0.51 0.00 0.20 0.00 -2.06 0.00 0.00 59.70 57.33 1vre h MET 83 Cb 1.74 0.00 -0.11 0.00 0.06 0.00 0.00 31.60 33.29 1vre h MET 83 CO -0.14 -0.00 0.56 0.87 1.06 0.00 0.00 176.91 179.25 1vre h LYS 84 N -0.00 0.64 -0.55 1.72 1.57 -1.68 0.63 116.57 118.89 1vre h LYS 84 Ca 0.12 -0.04 0.06 0.00 -1.87 0.00 0.00 60.65 58.92 1vre h LYS 84 Cb 0.18 -0.14 -0.03 0.00 0.08 0.00 0.00 32.23 32.31 1vre h LYS 84 CO -0.25 0.42 0.37 0.00 -0.57 0.00 0.00 179.45 179.42 1vre h ALA 85 N 1.66 1.88 -0.26 3.86 0.00 -1.21 0.25 119.26 125.44 1vre h ALA 85 Ca 0.57 -0.02 -0.11 0.00 0.00 0.00 0.00 54.91 55.36 1vre h ALA 85 Cb 0.95 -0.12 -0.01 0.00 0.00 0.00 0.00 17.79 18.61 1vre h ALA 85 CO -0.42 0.03 -0.29 0.28 0.00 0.00 0.00 179.25 178.85 1vre h VAL 86 N 0.50 1.28 -0.04 0.00 2.07 0.54 -2.87 116.25 117.73 1vre h VAL 86 Ca 0.24 -1.37 -0.00 0.00 0.82 0.00 0.00 66.70 66.39 1vre h VAL 86 Cb 0.31 1.40 -0.00 0.00 -1.52 0.00 0.00 31.29 31.48 1vre h VAL 86 CO -0.07 0.43 0.01 1.23 0.02 0.00 0.00 177.57 179.20 1vre h GLY 87 N 1.04 0.07 1.59 2.17 0.00 -0.59 -1.39 103.07 105.96 1vre h GLY 87 Ca 0.06 -0.04 0.00 0.00 0.00 0.00 0.00 47.33 47.35 1vre h GLY 87 CO 0.06 0.04 0.20 -2.08 0.00 0.00 0.00 176.54 174.76 1vre h VAL 88 N -0.13 0.00 0.10 4.60 2.07 0.14 -1.07 116.25 121.96 1vre h VAL 88 Ca 0.01 0.00 -0.23 0.00 0.82 0.00 0.00 66.70 67.31 1vre h VAL 88 Cb 0.21 0.77 -0.00 0.00 -1.52 0.00 0.00 31.29 30.76 1vre h VAL 88 CO -0.00 0.00 -1.14 0.03 0.02 0.00 0.00 177.57 176.48 1vre h ARG 89 N 0.00 0.20 0.00 1.57 -0.00 -1.07 -3.30 114.38 111.78 1vre h ARG 89 Ca 0.00 -0.35 0.00 0.00 -0.50 0.00 0.00 59.98 59.13 1vre h ARG 89 Cb 0.40 0.13 0.00 0.00 0.00 0.00 0.00 29.97 30.50 1vre h ARG 89 CO 0.00 1.17 0.00 0.72 0.00 0.00 0.00 179.97 181.86 1vre n HIS 90 N -4.08 0.08 1.77 3.04 8.25 -0.44 -1.84 115.22 122.01 1vre n HIS 90 Ca -0.22 0.04 0.05 0.00 -0.26 0.00 0.00 57.72 57.33 1vre n HIS 90 Cb 0.82 -0.56 0.25 0.00 1.12 0.00 0.00 29.99 31.62 1vre n HIS 90 CO 0.00 0.00 0.00 0.36 0.64 0.00 0.00 176.34 177.34 1vre n LYS 91 N -1.58 1.18 -2.70 -0.41 -0.00 -1.00 -4.05 118.16 109.61 1vre n LYS 91 Ca 0.01 -0.28 -0.07 0.00 -0.00 0.00 0.00 58.31 57.98 1vre n LYS 91 Cb 0.08 -1.18 0.10 0.00 -0.00 0.00 0.00 35.03 34.02 1vre n LYS 91 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.40 177.81 1vre n GLY 92 N 0.74 0.83 0.00 2.58 0.00 -0.77 -4.72 105.19 103.85 1vre n GLY 92 Ca 0.08 -0.05 0.00 0.00 0.00 0.00 0.00 46.02 46.05 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 -0.40 -2.93 0.32 1.61 4.02 -1.24 -4.85 117.16 113.68 1vre n TYR 93 Ca -0.05 0.00 0.21 0.00 -0.01 0.00 0.00 57.90 58.05 1vre n TYR 93 Cb 0.79 0.00 1.02 0.00 -0.02 0.00 0.00 39.34 41.14 1vre n TYR 93 CO 0.00 0.00 0.00 0.78 -1.01 0.00 0.00 176.86 176.63 1vre h GLY 94 N 0.00 0.00 0.00 2.72 0.00 -1.95 -2.69 103.07 101.15 1vre h GLY 94 Ca 0.00 0.00 -0.17 0.00 0.00 0.00 0.00 47.33 47.16 1vre h GLY 94 CO 0.00 0.00 -1.92 1.16 0.00 0.00 0.00 176.54 175.78 1vre n ASN 95 N -3.04 1.26 -2.44 0.19 6.94 -1.26 -4.97 115.26 111.94 1vre n ASN 95 Ca -0.02 0.00 -0.10 0.00 -0.02 0.00 0.00 54.58 54.44 1vre n ASN 95 Cb 0.15 1.22 -0.01 0.00 -2.36 0.00 0.00 39.78 38.78 1vre n ASN 95 CO 0.00 0.00 0.00 0.29 -1.03 0.00 0.00 177.26 176.52 1vre n LYS 96 N -2.37 -2.36 -1.33 -3.83 5.02 -1.02 -4.75 118.16 107.53 1vre n LYS 96 Ca -0.16 0.49 0.04 0.00 -2.02 0.00 0.00 58.31 56.66 1vre n LYS 96 Cb 0.77 -5.06 0.04 0.00 -0.02 0.00 0.00 35.03 30.76 1vre n LYS 96 CO 0.00 0.00 0.00 0.72 -0.52 0.00 0.00 177.40 177.60 1vre n HIS 97 N -3.20 0.00 -1.52 2.13 8.25 -1.26 -4.95 115.22 114.67 1vre n HIS 97 Ca -0.12 -0.60 -0.31 0.00 -0.26 0.00 0.00 57.72 56.42 1vre n HIS 97 Cb 0.59 -0.16 0.06 0.00 1.12 0.00 0.00 29.99 31.60 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 -0.43 3.68 0.27 1.59 1.01 -1.26 -5.06 121.20 120.99 1vre s ILE 98 Ca 0.33 0.59 -0.00 0.00 0.00 0.00 0.00 60.65 61.57 1vre s ILE 98 Cb 0.37 -3.19 -0.03 0.00 0.01 0.00 0.00 42.46 39.62 1vre s ILE 98 CO -0.15 -0.67 0.27 -0.54 0.00 0.00 0.00 174.94 173.85 1vre s LYS 99 N -4.80 1.52 -0.03 2.79 3.01 -1.26 -5.01 119.74 115.96 1vre s LYS 99 Ca 0.61 -1.72 0.21 0.00 -1.01 0.00 0.00 55.97 54.05 1vre s LYS 99 Cb -0.16 0.34 -0.32 0.00 -1.01 0.00 0.00 37.83 36.68 1vre s LYS 99 CO 0.52 -0.56 0.49 0.00 0.51 0.00 0.00 175.35 176.31 1vre n ALA 100 N -0.43 2.93 0.28 5.17 0.00 -1.26 -4.20 120.51 123.00 1vre n ALA 100 Ca 0.03 -0.50 0.17 0.00 0.00 0.00 0.00 53.44 53.14 1vre n ALA 100 Cb 0.64 -0.72 0.77 0.00 0.00 0.00 0.00 19.45 20.13 1vre n ALA 100 CO 0.00 0.00 0.00 1.05 0.00 0.00 0.00 177.50 178.55 1vre h GLU 101 N 0.00 0.00 0.00 0.00 4.11 -2.02 -2.13 114.58 114.53 1vre h GLU 101 Ca 0.00 0.00 -0.04 0.00 0.07 0.00 0.00 59.36 59.39 1vre h GLU 101 Cb 0.92 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 30.16 1vre h GLU 101 CO 0.00 0.03 -0.22 1.88 0.07 0.00 0.00 179.01 180.76 1vre h TYR 102 N 0.00 0.00 0.68 2.06 -1.99 -2.01 -3.36 116.97 112.36 1vre h TYR 102 Ca -0.00 0.00 -0.03 0.00 2.00 0.00 0.00 58.73 60.70 1vre h TYR 102 Cb 0.43 0.00 0.00 0.00 2.00 0.00 0.00 36.73 39.16 1vre h TYR 102 CO 0.00 0.21 -0.37 0.74 -0.00 0.00 0.00 178.16 178.74 1vre h PHE 103 N 0.00 -0.96 -0.52 4.88 -1.00 -1.60 0.11 116.94 117.84 1vre h PHE 103 Ca -0.00 -0.02 0.07 0.00 2.81 0.00 0.00 57.97 60.83 1vre h PHE 103 Cb 1.16 0.33 -0.09 0.00 3.61 0.00 0.00 35.95 40.96 1vre h PHE 103 CO 0.00 -0.57 -0.52 0.93 -1.61 0.00 0.00 178.31 176.55 1vre h GLU 104 N -0.96 -0.29 -0.35 1.51 5.08 -1.70 0.80 114.58 118.67 1vre h GLU 104 Ca -0.09 0.02 0.04 0.00 -1.00 0.00 0.00 59.36 58.33 1vre h GLU 104 Cb 0.75 0.07 -0.04 0.00 0.50 0.00 0.00 28.75 30.03 1vre h GLU 104 CO 0.13 -0.19 0.10 -1.00 -1.00 0.00 0.00 179.01 177.04 1vre h PRO 105 N -0.30 0.22 0.00 2.33 0.13 -1.69 0.11 132.00 132.81 1vre h PRO 105 Ca 0.12 -0.01 -0.00 0.00 -0.87 0.00 0.00 66.00 65.23 1vre h PRO 105 Cb 0.57 -0.05 -0.00 0.00 0.13 0.00 0.00 31.00 31.65 1vre h PRO 105 CO -0.66 0.15 -0.02 1.25 -0.23 0.00 0.00 178.00 178.49 1vre h LEU 106 N 0.23 0.00 0.18 1.56 7.12 0.66 -2.35 115.31 122.71 1vre h LEU 106 Ca 0.16 0.00 -0.25 0.00 0.13 0.00 0.00 57.88 57.92 1vre h LEU 106 Cb 0.16 0.00 0.03 0.00 -0.53 0.00 0.00 40.66 40.31 1vre h LEU 106 CO -0.19 0.02 -1.12 1.23 -0.13 0.00 0.00 178.44 178.25 1vre h GLY 107 N 1.14 0.44 0.86 3.75 0.00 0.29 -3.08 103.07 106.47 1vre h GLY 107 Ca -0.00 -1.13 -0.00 0.00 0.00 0.00 0.00 47.33 46.20 1vre h GLY 107 CO 0.00 0.99 0.02 0.00 0.00 0.00 0.00 176.54 177.55 1vre h ALA 108 N 0.10 0.07 0.00 3.60 0.00 -0.65 -1.66 119.26 120.72 1vre h ALA 108 Ca -0.20 -0.09 0.00 0.00 0.00 0.00 0.00 54.91 54.62 1vre h ALA 108 Cb 1.85 -0.02 0.00 0.00 0.00 0.00 0.00 17.79 19.62 1vre h ALA 108 CO 0.19 -0.35 0.00 0.77 0.00 0.00 0.00 179.25 179.86 1vre h SER 109 N -0.07 0.00 0.26 0.00 0.02 -1.56 -1.25 113.55 110.95 1vre h SER 109 Ca 0.02 0.00 -0.19 0.00 -0.84 0.00 0.00 61.79 60.78 1vre h SER 109 Cb 0.16 0.00 -0.00 0.00 0.14 0.00 0.00 62.40 62.70 1vre h SER 109 CO -0.00 0.00 -0.76 0.25 -1.14 0.00 0.00 176.83 175.17 1vre h LEU 110 N 0.00 0.50 -0.99 5.07 6.46 -1.20 -3.06 115.31 122.09 1vre h LEU 110 Ca 0.00 -0.34 -0.10 0.00 -0.12 0.00 0.00 57.88 57.32 1vre h LEU 110 Cb 0.03 -0.15 -0.01 0.00 -0.73 0.00 0.00 40.66 39.80 1vre h LEU 110 CO 0.00 1.09 -0.37 -0.07 -0.62 0.00 0.00 178.44 178.47 1vre h LEU 111 N 0.28 0.26 -1.15 2.25 3.38 -1.12 -1.78 115.31 117.43 1vre h LEU 111 Ca -0.04 -0.10 -0.03 0.00 0.09 0.00 0.00 57.88 57.80 1vre h LEU 111 Cb 1.35 -0.07 -0.00 0.00 0.09 0.00 0.00 40.66 42.03 1vre h LEU 111 CO 0.13 0.61 -0.14 0.28 0.09 0.00 0.00 178.44 179.42 1vre h SER 112 N 0.21 0.00 0.20 -0.43 0.02 -1.52 -3.13 113.55 108.91 1vre h SER 112 Ca 0.02 0.00 -0.35 0.00 -0.84 0.00 0.00 61.79 60.62 1vre h SER 112 Cb 0.76 0.00 -0.00 0.00 0.14 0.00 0.00 62.40 63.30 1vre h SER 112 CO 0.06 0.14 -1.82 0.00 -1.14 0.00 0.00 176.83 174.07 1vre h ALA 113 N 1.86 0.28 -0.77 3.77 0.00 -1.34 -3.34 119.26 119.72 1vre h ALA 113 Ca -0.00 -1.24 0.09 0.00 0.00 0.00 0.00 54.91 53.76 1vre h ALA 113 Cb 0.69 0.53 -0.05 0.00 0.00 0.00 0.00 17.79 18.96 1vre h ALA 113 CO 0.02 1.15 0.50 0.52 0.00 0.00 0.00 179.25 181.44 1vre h MET 114 N 0.09 0.69 -0.07 0.00 2.07 -1.30 0.14 114.93 116.55 1vre h MET 114 Ca -0.36 -0.04 0.02 0.00 -2.07 0.00 0.00 59.70 57.25 1vre h MET 114 Cb 2.07 -0.16 -0.00 0.00 -1.87 0.00 0.00 31.60 31.64 1vre h MET 114 CO 0.14 0.46 0.30 1.49 1.07 0.00 0.00 176.91 180.37 1vre h GLU 115 N 0.71 0.00 0.00 1.72 4.81 -1.67 0.24 114.58 120.39 1vre h GLU 115 Ca 0.35 0.00 -0.02 0.00 -0.13 0.00 0.00 59.36 59.56 1vre h GLU 115 Cb 0.42 0.00 -0.00 0.00 0.63 0.00 0.00 28.75 29.80 1vre h GLU 115 CO -0.13 0.00 -0.10 0.45 -0.73 0.00 0.00 179.01 178.50 1vre h HIS 116 N 0.00 0.00 0.00 0.92 3.86 -0.92 0.51 115.15 119.52 1vre h HIS 116 Ca 0.03 0.00 0.00 0.00 -1.16 0.00 0.00 60.37 59.24 1vre h HIS 116 Cb 0.63 0.00 0.00 0.00 1.06 0.00 0.00 27.41 29.10 1vre h HIS 116 CO 0.00 0.10 -0.03 -2.13 0.86 0.00 0.00 177.93 176.73 1vre n ARG 117 N -3.51 0.02 0.09 2.45 0.63 0.83 -4.64 116.66 112.52 1vre n ARG 117 Ca -0.02 0.16 -0.11 0.00 -0.92 0.00 0.00 57.85 56.97 1vre n ARG 117 Cb 0.24 -0.69 -0.08 0.00 0.45 0.00 0.00 32.46 32.38 1vre n ARG 117 CO 0.00 0.00 0.00 -0.84 -2.51 0.00 0.00 177.63 174.28 1vre h ILE 118 N -0.04 1.55 0.00 5.15 3.07 -1.66 -3.46 117.51 122.11 1vre h ILE 118 Ca 0.00 -2.95 0.00 0.00 1.55 0.00 0.00 64.86 63.46 1vre h ILE 118 Cb 0.03 2.71 0.00 0.00 -0.27 0.00 0.00 36.82 39.29 1vre h ILE 118 CO 0.00 0.86 0.00 0.61 -1.05 0.00 0.00 178.15 178.57 1vre n GLY 119 N 1.20 0.55 0.30 0.16 0.00 0.18 -0.98 105.19 106.60 1vre n GLY 119 Ca -0.04 0.63 0.10 0.00 0.00 0.00 0.00 46.02 46.71 1vre n GLY 119 CO 0.00 0.00 0.00 -1.33 0.00 0.00 0.00 173.32 171.99 1vre h GLY 120 N 0.00 1.22 2.00 -0.02 0.00 -1.89 1.51 103.07 105.90 1vre h GLY 120 Ca 0.00 -0.02 0.00 0.00 0.00 0.00 0.00 47.33 47.31 1vre h GLY 120 CO 0.00 -0.31 0.00 0.28 0.00 0.00 0.00 176.54 176.51 1vre n LYS 121 N -5.21 0.07 -2.73 4.80 4.01 -0.16 -4.18 118.16 114.75 1vre n LYS 121 Ca 0.19 0.32 -0.43 0.00 -0.51 0.00 0.00 58.31 57.87 1vre n LYS 121 Cb 0.60 -1.63 0.00 0.00 -0.51 0.00 0.00 35.03 33.49 1vre n LYS 121 CO 0.00 0.00 0.00 -0.12 -1.11 0.00 0.00 177.40 176.17 1vre n MET 122 N -1.76 3.27 -0.02 1.97 1.56 0.52 -4.87 117.12 117.80 1vre n MET 122 Ca 0.03 -3.53 0.00 0.00 -0.27 0.00 0.00 57.70 53.93 1vre n MET 122 Cb 0.18 -3.29 0.00 0.00 2.15 0.00 0.00 33.22 32.26 1vre n MET 122 CO 0.00 0.00 0.00 0.27 -0.73 0.00 0.00 175.97 175.51 1vre n ASN 123 N 7.12 0.00 -0.07 6.12 0.23 -1.26 -4.81 115.26 122.58 1vre n ASN 123 Ca 0.44 -0.58 -0.13 0.00 -0.53 0.00 0.00 54.58 53.77 1vre n ASN 123 Cb 0.44 0.00 -0.06 0.00 -2.08 0.00 0.00 39.78 38.09 1vre n ASN 123 CO 0.00 0.00 0.00 0.00 -0.93 0.00 0.00 177.26 176.33 1vre h ALA 124 N -1.95 0.31 -0.74 -2.53 0.00 -1.97 -2.83 119.26 109.55 1vre h ALA 124 Ca 0.00 -0.36 0.06 0.00 0.00 0.00 0.00 54.91 54.61 1vre h ALA 124 Cb 0.00 -0.07 -0.05 0.00 0.00 0.00 0.00 17.79 17.68 1vre h ALA 124 CO 0.00 0.25 0.49 0.00 0.00 0.00 0.00 179.25 179.99 1vre h ALA 125 N 0.66 1.67 0.34 0.00 0.00 -1.96 0.79 119.26 120.76 1vre h ALA 125 Ca 0.04 -0.02 -0.02 0.00 0.00 0.00 0.00 54.91 54.91 1vre h ALA 125 Cb 0.75 -0.21 0.00 0.00 0.00 0.00 0.00 17.79 18.34 1vre h ALA 125 CO 0.05 0.22 -0.16 0.00 0.00 0.00 0.00 179.25 179.36 1vre h ALA 126 N 1.59 -0.46 0.00 0.00 0.00 -1.85 1.23 119.26 119.78 1vre h ALA 126 Ca 0.32 -0.12 -0.11 0.00 0.00 0.00 0.00 54.91 55.00 1vre h ALA 126 Cb 0.23 0.18 -0.02 0.00 0.00 0.00 0.00 17.79 18.18 1vre h ALA 126 CO -0.11 -0.73 -0.51 1.57 0.00 0.00 0.00 179.25 179.48 1vre h LYS 127 N -0.51 0.00 0.01 0.00 2.10 -1.17 -1.44 116.57 115.56 1vre h LYS 127 Ca -0.05 0.00 -0.00 0.00 -2.00 0.00 0.00 60.65 58.60 1vre h LYS 127 Cb 0.39 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 31.72 1vre h LYS 127 CO 0.08 0.51 -0.00 0.22 -2.00 0.00 0.00 179.45 178.25 1vre h ASP 128 N 0.00 -0.01 -0.68 7.07 3.58 0.96 0.13 116.42 127.47 1vre h ASP 128 Ca -0.01 -0.70 0.01 0.00 0.42 0.00 0.00 57.03 56.76 1vre h ASP 128 Cb 0.91 0.00 -0.04 0.00 1.72 0.00 0.00 39.33 41.93 1vre h ASP 128 CO 0.07 0.70 0.44 0.00 -2.88 0.00 0.00 179.24 177.57 1vre h ALA 129 N 0.23 0.87 0.00 -0.78 0.00 0.15 -0.74 119.26 118.99 1vre h ALA 129 Ca -0.00 -0.04 -0.05 0.00 0.00 0.00 0.00 54.91 54.82 1vre h ALA 129 Cb 0.71 -0.26 -0.01 0.00 0.00 0.00 0.00 17.79 18.23 1vre h ALA 129 CO 0.00 0.26 -0.22 -1.49 0.00 0.00 0.00 179.25 177.81 1vre h TRP 130 N 0.90 0.00 0.00 0.00 4.06 -1.31 -1.43 115.95 118.17 1vre h TRP 130 Ca 0.25 0.00 -0.06 0.00 2.06 0.00 0.00 58.89 61.14 1vre h TRP 130 Cb -0.08 0.00 -0.01 0.00 -1.00 0.00 0.00 29.16 28.07 1vre h TRP 130 CO -0.03 0.22 -0.29 0.00 -3.56 0.00 0.00 178.44 174.78 1vre h ALA 131 N 1.78 1.20 0.00 1.49 0.00 0.75 -2.13 119.26 122.36 1vre h ALA 131 Ca -0.00 -0.26 -0.14 0.00 0.00 0.00 0.00 54.91 54.51 1vre h ALA 131 Cb 0.87 -0.05 -0.02 0.00 0.00 0.00 0.00 17.79 18.59 1vre h ALA 131 CO 0.03 0.36 -1.69 0.00 0.00 0.00 0.00 179.25 177.95 1vre n ALA 132 N -2.34 2.17 0.22 0.00 0.00 -0.84 -3.95 120.51 115.77 1vre n ALA 132 Ca -0.01 -0.64 -0.10 0.00 0.00 0.00 0.00 53.44 52.69 1vre n ALA 132 Cb 0.39 -0.78 -0.05 0.00 0.00 0.00 0.00 19.45 19.01 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 1.58 -0.61 -0.65 0.00 0.00 -0.94 -2.61 119.26 116.03 1vre h ALA 133 Ca -0.17 -0.15 0.19 0.00 0.00 0.00 0.00 54.91 54.78 1vre h ALA 133 Cb 1.47 0.24 -0.03 0.00 0.00 0.00 0.00 17.79 19.47 1vre h ALA 133 CO 0.02 -0.58 0.56 1.88 0.00 0.00 0.00 179.25 181.13 1vre h TYR 134 N -1.14 0.00 0.22 0.00 0.05 -1.61 0.54 116.97 115.04 1vre h TYR 134 Ca -0.06 0.00 -0.01 0.00 0.05 0.00 0.00 58.73 58.71 1vre h TYR 134 Cb 0.50 0.00 0.00 0.00 1.01 0.00 0.00 36.73 38.24 1vre h TYR 134 CO 0.01 0.00 -0.11 0.00 -1.05 0.00 0.00 178.16 177.01 1vre h ALA 135 N 1.50 -0.30 -0.21 3.88 0.00 -1.65 0.57 119.26 123.05 1vre h ALA 135 Ca 0.31 -0.18 -0.14 0.00 0.00 0.00 0.00 54.91 54.90 1vre h ALA 135 Cb 1.42 0.12 -0.01 0.00 0.00 0.00 0.00 17.79 19.32 1vre h ALA 135 CO -0.00 -0.50 -0.47 -0.44 0.00 0.00 0.00 179.25 177.84 1vre h ASP 136 N -0.65 0.58 0.41 0.00 3.32 -0.66 0.50 116.42 119.92 1vre h ASP 136 Ca -0.03 -0.28 -0.02 0.00 0.02 0.00 0.00 57.03 56.72 1vre h ASP 136 Cb 0.46 -0.16 0.00 0.00 0.22 0.00 0.00 39.33 39.85 1vre h ASP 136 CO 0.05 0.96 -0.20 0.40 -1.72 0.00 0.00 179.24 178.74 1vre h ILE 137 N 0.43 0.38 0.00 0.35 2.04 0.03 -1.23 117.51 119.51 1vre h ILE 137 Ca 0.02 -0.61 -0.07 0.00 1.00 0.00 0.00 64.86 65.20 1vre h ILE 137 Cb 0.98 0.57 -0.01 0.00 -0.74 0.00 0.00 36.82 37.63 1vre h ILE 137 CO 0.09 0.07 -0.35 0.77 0.00 0.00 0.00 178.15 178.73 1vre h SER 138 N -0.99 0.00 -0.11 1.72 4.64 0.11 -3.04 113.55 115.87 1vre h SER 138 Ca -0.06 0.00 -0.03 0.00 -0.47 0.00 0.00 61.79 61.23 1vre h SER 138 Cb 0.55 0.00 -0.00 0.00 -0.31 0.00 0.00 62.40 62.63 1vre h SER 138 CO 0.09 0.35 -0.06 1.23 -0.87 0.00 0.00 176.83 177.58 1vre h GLY 139 N 1.43 0.26 1.32 -0.77 0.00 0.03 -2.81 103.07 102.53 1vre h GLY 139 Ca -0.00 -0.24 0.10 0.00 0.00 0.00 0.00 47.33 47.19 1vre h GLY 139 CO 0.05 0.21 0.25 0.00 0.00 0.00 0.00 176.54 177.05 1vre h ALA 140 N 0.65 2.32 0.00 3.60 0.00 -1.11 0.28 119.26 125.00 1vre h ALA 140 Ca 0.03 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.92 1vre h ALA 140 Cb 0.51 0.02 0.00 0.00 0.00 0.00 0.00 17.79 18.33 1vre h ALA 140 CO 0.02 -0.41 0.00 1.25 0.00 0.00 0.00 179.25 180.10 1vre h LEU 141 N 0.01 0.00 0.00 0.00 6.46 -1.42 -2.08 115.31 118.28 1vre h LEU 141 Ca 0.16 0.00 0.00 0.00 -0.12 0.00 0.00 57.88 57.92 1vre h LEU 141 Cb 0.64 0.00 0.00 0.00 -0.73 0.00 0.00 40.66 40.57 1vre h LEU 141 CO -0.00 0.00 0.00 -0.38 -0.62 0.00 0.00 178.44 177.44 1vre n ILE 142 N -2.89 0.13 -0.06 4.05 2.08 0.99 -2.51 119.36 121.15 1vre n ILE 142 Ca 0.00 0.03 -0.16 0.00 0.56 0.00 0.00 62.75 63.18 1vre n ILE 142 Cb 0.26 -0.62 -0.13 0.00 -0.75 0.00 0.00 39.64 38.39 1vre n ILE 142 CO 0.00 0.00 0.00 0.28 0.56 0.00 0.00 176.55 177.39 1vre h SER 143 N 0.00 0.08 0.67 4.38 0.02 -1.48 -3.32 113.55 113.90 1vre h SER 143 Ca 0.00 -0.91 0.00 0.00 -0.84 0.00 0.00 61.79 60.04 1vre h SER 143 Cb 0.16 -0.02 0.00 0.00 0.14 0.00 0.00 62.40 62.67 1vre h SER 143 CO 0.00 1.16 -0.16 0.61 -1.14 0.00 0.00 176.83 177.30 1vre n GLY 144 N 1.59 -1.27 0.49 -3.77 0.00 -1.22 -4.85 105.19 96.16 1vre n GLY 144 Ca -0.15 -0.21 -0.04 0.00 0.00 0.00 0.00 46.02 45.62 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 -1.34 0.00 -3.18 0.99 0.00 -1.05 0.11 117.00 112.53 1vre n LEU 145 Ca 0.09 -0.19 -0.09 0.00 0.00 0.00 0.00 56.01 55.83 1vre n LEU 145 Cb 0.32 -0.13 0.00 0.00 0.00 0.00 0.00 43.42 43.61 1vre n LEU 145 CO 0.28 -0.64 0.14 0.00 0.00 0.00 0.00 177.39 177.17 1vre n GLN 146 N -1.38 -1.62 0.00 1.96 3.00 -1.26 -4.75 117.38 113.32 1vre n GLN 146 Ca 0.02 1.49 0.00 0.00 -0.01 0.00 0.00 57.00 58.50 1vre n GLN 146 Cb 0.07 -4.88 0.00 0.00 0.00 0.00 0.00 30.24 25.43 1vre n GLN 146 CO 0.00 0.00 0.00 0.43 0.00 0.00 0.00 177.06 177.49