#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 2.31 0.30 0.99 1.43 -1.26 -4.94 118.68 117.51 1vre s LEU 2 Ca 0.00 -1.21 0.04 0.00 -1.03 0.00 0.00 54.13 51.93 1vre s LEU 2 Cb 0.00 -0.42 -0.06 0.00 0.03 0.00 0.00 46.19 45.74 1vre s LEU 2 CO 0.00 -0.45 0.03 -0.94 0.23 0.00 0.00 176.35 175.22 1vre s SER 3 N -3.37 2.28 0.21 2.29 1.04 -1.26 -5.00 113.70 109.89 1vre s SER 3 Ca 0.29 -1.32 -0.08 0.00 0.48 0.00 0.00 55.95 55.31 1vre s SER 3 Cb 0.05 -0.07 0.14 0.00 0.10 0.00 0.00 66.02 66.24 1vre s SER 3 CO 0.10 -0.56 1.77 0.00 0.98 0.00 0.00 173.24 175.53 1vre h ALA 4 N 2.22 0.99 -0.64 5.32 0.00 -2.02 0.25 119.26 125.38 1vre h ALA 4 Ca -0.40 -0.19 -0.04 0.00 0.00 0.00 0.00 54.91 54.28 1vre h ALA 4 Cb 1.24 -0.30 -0.03 0.00 0.00 0.00 0.00 17.79 18.70 1vre h ALA 4 CO 0.68 0.62 0.25 0.00 0.00 0.00 0.00 179.25 180.80 1vre h ALA 5 N 1.15 0.84 -0.09 0.00 0.00 -1.99 -1.06 119.26 118.11 1vre h ALA 5 Ca 0.25 -0.18 -0.04 0.00 0.00 0.00 0.00 54.91 54.94 1vre h ALA 5 Cb 0.22 -0.25 -0.00 0.00 0.00 0.00 0.00 17.79 17.76 1vre h ALA 5 CO -0.02 0.46 -0.12 1.96 0.00 0.00 0.00 179.25 181.53 1vre h GLN 6 N 0.91 0.25 -0.85 0.00 4.20 -1.86 -1.01 115.11 116.75 1vre h GLN 6 Ca 0.21 -0.14 0.15 0.00 0.06 0.00 0.00 58.65 58.94 1vre h GLN 6 Cb 0.21 0.01 -0.06 0.00 0.30 0.00 0.00 27.48 27.94 1vre h GLN 6 CO -0.02 0.69 0.55 0.00 -0.67 0.00 0.00 178.83 179.38 1vre h ARG 7 N -0.18 0.56 -0.08 1.46 3.08 -0.36 0.18 114.38 119.04 1vre h ARG 7 Ca 0.01 -0.03 -0.24 0.00 0.07 0.00 0.00 59.98 59.79 1vre h ARG 7 Cb 0.65 -0.13 0.02 0.00 0.08 0.00 0.00 29.97 30.59 1vre h ARG 7 CO 0.03 0.37 -0.87 1.96 -1.07 0.00 0.00 179.97 180.39 1vre h GLN 8 N 0.58 0.73 0.00 0.04 1.08 -1.02 -2.66 115.11 113.86 1vre h GLN 8 Ca 0.42 -0.68 -0.02 0.00 -1.45 0.00 0.00 58.65 56.92 1vre h GLN 8 Cb 0.80 0.17 -0.00 0.00 -0.05 0.00 0.00 27.48 28.39 1vre h GLN 8 CO -0.17 1.27 -0.11 0.28 -0.95 0.00 0.00 178.83 179.15 1vre h VAL 9 N 0.43 0.45 0.03 -0.54 2.07 0.34 -0.91 116.25 118.13 1vre h VAL 9 Ca -0.09 -0.58 -0.14 0.00 0.82 0.00 0.00 66.70 66.71 1vre h VAL 9 Cb 1.52 1.40 0.01 0.00 -1.52 0.00 0.00 31.29 32.70 1vre h VAL 9 CO 0.18 0.11 -0.58 0.58 0.02 0.00 0.00 177.57 177.87 1vre h VAL 10 N 0.00 1.47 0.00 2.57 2.07 -0.60 -2.74 116.25 119.02 1vre h VAL 10 Ca -0.00 -2.16 0.00 0.00 0.82 0.00 0.00 66.70 65.36 1vre h VAL 10 Cb 0.39 2.76 0.00 0.00 -1.52 0.00 0.00 31.29 32.92 1vre h VAL 10 CO 0.01 0.62 0.00 0.00 0.02 0.00 0.00 177.57 178.22 1vre h ALA 11 N 0.26 1.00 0.00 1.67 0.00 -1.16 -2.57 119.26 118.45 1vre h ALA 11 Ca -0.08 0.00 -0.11 0.00 0.00 0.00 0.00 54.91 54.72 1vre h ALA 11 Cb 1.33 0.00 -0.02 0.00 0.00 0.00 0.00 17.79 19.10 1vre h ALA 11 CO 0.11 0.00 -0.96 0.66 0.00 0.00 0.00 179.25 179.07 1vre h SER 12 N 0.00 0.00 0.27 0.00 4.64 -1.15 -3.19 113.55 114.12 1vre h SER 12 Ca 0.00 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.32 1vre h SER 12 Cb 0.56 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.65 1vre h SER 12 CO 0.00 0.42 -0.83 0.35 -0.87 0.00 0.00 176.83 175.89 1vre n THR 13 N -2.97 0.03 -0.02 2.95 -2.24 -1.04 -4.14 114.28 106.85 1vre n THR 13 Ca -0.03 -0.05 -0.06 0.00 -2.27 0.00 0.00 64.05 61.63 1vre n THR 13 Cb 0.74 0.56 -0.13 0.00 -2.10 0.00 0.00 70.33 69.40 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 -1.59 0.83 0.60 4.78 -0.00 -0.99 -2.93 117.44 118.14 1vre n TRP 14 Ca 0.04 0.29 0.12 0.00 -0.00 0.00 0.00 57.50 57.95 1vre n TRP 14 Cb 0.35 -1.12 0.45 0.00 -0.00 0.00 0.00 31.31 31.00 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 -2.95 0.13 -0.10 5.87 5.02 -1.20 -1.19 118.16 123.74 1vre n LYS 15 Ca -0.17 0.25 -0.18 0.00 -2.02 0.00 0.00 58.31 56.19 1vre n LYS 15 Cb 1.00 -1.70 -0.06 0.00 -0.02 0.00 0.00 35.03 34.26 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 -1.93 1.84 -0.02 4.39 8.00 -1.25 -3.54 116.55 124.04 1vre n ASP 16 Ca 0.04 0.31 -0.05 0.00 0.71 0.00 0.00 54.79 55.81 1vre n ASP 16 Cb 0.29 -0.73 0.16 0.00 -0.02 0.00 0.00 41.12 40.82 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 -0.92 1.27 -0.80 0.53 2.04 -1.64 -2.88 117.51 115.11 1vre h ILE 17 Ca -0.32 -1.30 -0.48 0.00 1.00 0.00 0.00 64.86 63.76 1vre h ILE 17 Cb 1.24 1.31 -0.26 0.00 -0.74 0.00 0.00 36.82 38.38 1vre h ILE 17 CO -0.20 0.42 0.36 0.00 0.00 0.00 0.00 178.15 178.73 1vre n ALA 18 N -2.49 5.41 -1.00 1.87 0.00 -0.33 -3.79 120.51 120.17 1vre n ALA 18 Ca -0.00 -3.22 0.00 0.00 0.00 0.00 0.00 53.44 50.22 1vre n ALA 18 Cb 0.42 -1.23 0.00 0.00 0.00 0.00 0.00 19.45 18.64 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 -1.04 -2.45 0.01 0.00 0.00 -1.09 -2.70 105.19 97.92 1vre n GLY 19 Ca 0.52 0.17 0.10 0.00 0.00 0.00 0.00 46.02 46.82 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 -0.38 0.35 0.11 1.61 3.41 -1.26 -4.23 113.62 113.22 1vre n SER 20 Ca 0.00 -0.12 0.12 0.00 -0.26 0.00 0.00 58.87 58.62 1vre n SER 20 Cb 0.00 1.83 0.18 0.00 -0.26 0.00 0.00 64.21 65.96 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 -0.62 4.04 2.03 -1.84 -3.47 116.42 116.57 1vre h ASP 21 Ca 0.00 -0.08 -0.27 0.00 -0.73 0.00 0.00 57.03 55.95 1vre h ASP 21 Cb 0.89 0.00 -0.10 0.00 -0.83 0.00 0.00 39.33 39.28 1vre h ASP 21 CO 0.00 0.04 -0.24 -3.20 -1.03 0.00 0.00 179.24 174.81 1vre n ASN 22 N -2.46 -5.35 0.00 4.15 5.15 -1.10 -2.01 115.26 113.65 1vre n ASN 22 Ca 0.03 0.32 0.00 0.00 -0.60 0.00 0.00 54.58 54.33 1vre n ASN 22 Cb 0.48 -3.99 0.00 0.00 -0.53 0.00 0.00 39.78 35.74 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 -0.34 1.97 0.12 8.20 0.00 -1.25 -3.98 105.19 109.91 1vre n GLY 23 Ca -0.13 0.00 -0.14 0.00 0.00 0.00 0.00 46.02 45.76 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 0.15 -0.39 4.61 0.00 -1.67 -3.09 119.26 118.87 1vre h ALA 24 Ca 0.00 -0.34 -0.26 0.00 0.00 0.00 0.00 54.91 54.31 1vre h ALA 24 Cb 0.00 -0.03 -0.12 0.00 0.00 0.00 0.00 17.79 17.65 1vre h ALA 24 CO 0.00 0.05 0.33 0.41 0.00 0.00 0.00 179.25 180.04 1vre n GLY 25 N 0.36 3.67 0.37 0.00 0.00 -1.26 -3.42 105.19 104.91 1vre n GLY 25 Ca -0.07 -0.82 0.00 0.00 0.00 0.00 0.00 46.02 45.13 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 0.42 0.00 -0.00 1.61 0.31 -1.17 -4.62 118.33 114.88 1vre n VAL 26 Ca 0.25 0.00 -0.11 0.00 -0.01 0.00 0.00 64.34 64.46 1vre n VAL 26 Cb 0.64 -0.68 -0.14 0.00 -0.91 0.00 0.00 33.84 32.75 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 0.00 0.07 1.46 2.92 0.00 -1.62 -2.84 103.07 103.07 1vre h GLY 27 Ca 0.00 -0.18 -0.03 0.00 0.00 0.00 0.00 47.33 47.12 1vre h GLY 27 CO 0.00 0.16 0.19 0.07 0.00 0.00 0.00 176.54 176.96 1vre h LYS 28 N 0.02 0.69 0.00 4.80 2.10 -1.75 0.84 116.57 123.27 1vre h LYS 28 Ca -0.28 -0.10 -0.03 0.00 -2.00 0.00 0.00 60.65 58.25 1vre h LYS 28 Cb 2.00 -0.13 -0.00 0.00 -0.90 0.00 0.00 32.23 33.19 1vre h LYS 28 CO 0.09 0.57 -0.73 1.05 -2.00 0.00 0.00 179.45 178.44 1vre h GLU 29 N 0.69 0.00 0.00 0.07 4.11 -1.82 -3.14 114.58 114.49 1vre h GLU 29 Ca 0.17 0.00 -0.01 0.00 0.07 0.00 0.00 59.36 59.59 1vre h GLU 29 Cb 0.14 0.00 -0.00 0.00 0.50 0.00 0.00 28.75 29.39 1vre h GLU 29 CO -0.02 0.07 -0.44 0.00 0.07 0.00 0.00 179.01 178.70 1vre h PHE 31 N -1.00 0.74 -0.38 0.00 -1.00 0.48 -0.60 116.94 115.18 1vre h PHE 31 Ca -0.02 0.03 0.08 0.00 2.81 0.00 0.00 57.97 60.87 1vre h PHE 31 Cb 0.45 -0.21 -0.07 0.00 3.61 0.00 0.00 35.95 39.73 1vre h PHE 31 CO -0.15 0.24 -0.11 1.15 -1.61 0.00 0.00 178.31 177.82 1vre h THR 32 N 0.66 0.59 -0.45 -1.55 2.02 -1.66 0.44 112.91 112.95 1vre h THR 32 Ca 0.41 0.00 -0.02 0.00 0.77 0.00 0.00 66.41 67.57 1vre h THR 32 Cb 0.49 0.59 -0.02 0.00 -1.74 0.00 0.00 68.15 67.47 1vre h THR 32 CO -0.31 0.00 0.21 0.11 0.37 0.00 0.00 175.52 175.90 1vre h LYS 33 N -0.02 0.65 -0.41 6.66 1.57 -1.29 -1.35 116.57 122.38 1vre h LYS 33 Ca 0.19 -0.10 0.03 0.00 -1.87 0.00 0.00 60.65 58.90 1vre h LYS 33 Cb 0.30 -0.12 -0.04 0.00 0.08 0.00 0.00 32.23 32.46 1vre h LYS 33 CO -0.41 0.56 0.20 0.35 -0.57 0.00 0.00 179.45 179.59 1vre h PHE 34 N 0.58 0.37 -0.59 -1.35 3.57 0.16 0.15 116.94 119.84 1vre h PHE 34 Ca 0.15 0.02 0.02 0.00 3.53 0.00 0.00 57.97 61.69 1vre h PHE 34 Cb 0.13 -0.11 -0.03 0.00 2.79 0.00 0.00 35.95 38.73 1vre h PHE 34 CO -0.01 0.19 0.37 -0.07 -2.23 0.00 0.00 178.31 176.56 1vre h LEU 35 N 0.41 0.62 0.38 0.59 3.38 0.16 0.36 115.31 121.22 1vre h LEU 35 Ca 0.18 -0.01 -0.02 0.00 0.09 0.00 0.00 57.88 58.12 1vre h LEU 35 Cb 0.09 -0.14 0.00 0.00 0.09 0.00 0.00 40.66 40.70 1vre h LEU 35 CO -0.13 0.44 -0.18 -1.28 0.09 0.00 0.00 178.44 177.38 1vre h SER 36 N 0.75 -0.44 -0.43 -0.43 0.87 -0.58 -2.99 113.55 110.29 1vre h SER 36 Ca 0.23 0.02 0.13 0.00 -1.23 0.00 0.00 61.79 60.93 1vre h SER 36 Cb -0.03 0.11 -0.02 0.00 -0.44 0.00 0.00 62.40 62.03 1vre h SER 36 CO -0.08 -0.22 0.43 0.00 -0.53 0.00 0.00 176.83 176.43 1vre h ALA 37 N -1.57 2.18 -3.62 6.23 0.00 -0.72 -3.32 119.26 118.45 1vre h ALA 37 Ca -0.05 -0.02 -0.63 0.00 0.00 0.00 0.00 54.91 54.21 1vre h ALA 37 Cb 0.40 0.03 -0.39 0.00 0.00 0.00 0.00 17.79 17.83 1vre h ALA 37 CO 0.09 -0.65 -0.76 -1.01 0.00 0.00 0.00 179.25 176.92 1vre s HIS 38 N -4.69 2.90 -2.05 0.00 3.76 0.13 -4.95 115.29 110.39 1vre s HIS 38 Ca -0.04 -2.28 0.11 0.00 -0.15 0.00 0.00 55.06 52.69 1vre s HIS 38 Cb 0.16 -2.13 0.41 0.00 1.11 0.00 0.00 32.58 32.14 1vre s HIS 38 CO 0.58 -0.87 1.30 0.72 -0.85 0.00 0.00 174.74 175.63 1vre n HIS 39 N 4.51 0.25 0.84 1.40 -0.00 -1.21 -3.41 115.22 117.59 1vre n HIS 39 Ca -0.05 -0.12 0.10 0.00 -0.00 0.00 0.00 57.72 57.65 1vre n HIS 39 Cb 0.43 0.00 -0.08 0.00 -0.00 0.00 0.00 29.99 30.34 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 0.08 0.79 -0.00 0.41 5.68 -1.26 -4.21 116.55 118.03 1vre n ASP 40 Ca 0.10 -0.73 0.07 0.00 -0.50 0.00 0.00 54.79 53.73 1vre n ASP 40 Cb 0.20 1.04 -0.09 0.00 -1.14 0.00 0.00 41.12 41.13 1vre n ASP 40 CO 0.00 0.00 0.00 0.23 -1.33 0.00 0.00 177.20 176.10 1vre n MET 41 N -1.64 1.76 0.45 0.11 2.81 -1.22 -4.40 117.12 115.01 1vre n MET 41 Ca 0.03 -0.03 -0.20 0.00 -1.81 0.00 0.00 57.70 55.70 1vre n MET 41 Cb 0.37 -1.24 -0.10 0.00 -0.71 0.00 0.00 33.22 31.55 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 2.00 -1.30 -0.18 3.04 0.00 -1.73 0.25 119.26 121.34 1vre h ALA 42 Ca 0.00 -0.26 0.05 0.00 0.00 0.00 0.00 54.91 54.70 1vre h ALA 42 Cb 0.42 0.58 -0.01 0.00 0.00 0.00 0.00 17.79 18.78 1vre h ALA 42 CO 0.00 -1.24 0.15 0.00 0.00 0.00 0.00 179.25 178.16 1vre h ALA 43 N -1.24 2.01 -0.10 0.00 0.00 -1.81 0.22 119.26 118.34 1vre h ALA 43 Ca -0.11 -0.01 -0.03 0.00 0.00 0.00 0.00 54.91 54.76 1vre h ALA 43 Cb 0.97 0.01 -0.00 0.00 0.00 0.00 0.00 17.79 18.78 1vre h ALA 43 CO 0.14 -0.24 -0.06 0.28 0.00 0.00 0.00 179.25 179.36 1vre h VAL 44 N 0.00 1.33 -0.21 0.00 2.07 -1.51 -3.17 116.25 114.76 1vre h VAL 44 Ca 0.09 -1.13 -0.17 0.00 0.82 0.00 0.00 66.70 66.31 1vre h VAL 44 Cb 0.38 1.87 -0.00 0.00 -1.52 0.00 0.00 31.29 32.02 1vre h VAL 44 CO -0.00 0.32 -0.54 -0.26 0.02 0.00 0.00 177.57 177.11 1vre h PHE 45 N -0.16 0.79 0.00 1.57 0.04 0.54 -3.41 116.94 116.32 1vre h PHE 45 Ca 0.02 -0.28 0.00 0.00 2.80 0.00 0.00 57.97 60.51 1vre h PHE 45 Cb 0.54 -0.15 0.00 0.00 2.20 0.00 0.00 35.95 38.54 1vre h PHE 45 CO 0.07 1.04 0.00 0.41 -0.60 0.00 0.00 178.31 179.23 1vre n GLY 46 N 0.27 1.58 3.48 -1.45 0.00 0.67 -5.06 105.19 104.68 1vre n GLY 46 Ca -0.03 0.00 -0.23 0.00 0.00 0.00 0.00 46.02 45.76 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 2.07 -0.45 1.61 0.08 -0.71 -4.97 117.98 113.60 1vre s PHE 47 Ca 0.00 -0.83 0.15 0.00 0.12 0.00 0.00 56.93 56.37 1vre s PHE 47 Cb 0.00 -1.33 -0.19 0.00 -0.57 0.00 0.00 43.02 40.93 1vre s PHE 47 CO 0.00 0.16 0.52 0.45 -0.10 0.00 0.00 175.22 176.26 1vre n SER 48 N -0.71 0.99 -0.30 1.36 2.88 -1.26 -3.89 113.62 112.68 1vre n SER 48 Ca -0.04 -0.54 0.00 0.00 -1.33 0.00 0.00 58.87 56.97 1vre n SER 48 Cb 0.66 1.26 0.00 0.00 -0.75 0.00 0.00 64.21 65.38 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 1.45 0.95 0.18 0.46 0.00 -1.26 -5.00 105.19 101.97 1vre n GLY 49 Ca 0.01 -0.68 0.12 0.00 0.00 0.00 0.00 46.02 45.46 1vre n GLY 49 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1vre h ALA 50 N 2.00 0.83 -0.41 4.61 0.00 -1.88 -3.34 119.26 121.06 1vre h ALA 50 Ca 0.00 0.00 -0.48 0.00 0.00 0.00 0.00 54.91 54.43 1vre h ALA 50 Cb 0.00 0.00 -0.13 0.00 0.00 0.00 0.00 17.79 17.66 1vre h ALA 50 CO 0.00 0.00 0.73 -1.13 0.00 0.00 0.00 179.25 178.85 1vre n SER 51 N -2.89 6.58 -4.10 0.00 3.41 -1.26 -4.87 113.62 110.50 1vre n SER 51 Ca 0.03 -3.01 -0.25 0.00 -0.26 0.00 0.00 58.87 55.38 1vre n SER 51 Cb 0.53 -1.31 -0.16 0.00 -0.26 0.00 0.00 64.21 63.01 1vre n SER 51 CO 0.00 0.00 0.00 -0.62 -0.16 0.00 0.00 175.04 174.26 1vre s ASP 52 N 0.81 2.00 0.40 4.04 -1.08 -1.26 -5.01 116.67 116.56 1vre s ASP 52 Ca 0.60 -0.33 0.15 0.00 -0.52 0.00 0.00 52.55 52.46 1vre s ASP 52 Cb 0.33 -0.66 0.83 0.00 -1.46 0.00 0.00 42.92 41.95 1vre s ASP 52 CO -0.15 0.11 1.86 1.55 0.52 0.00 0.00 175.17 179.07 1vre h PRO 53 N 6.47 0.00 -0.98 4.34 0.13 -1.95 -2.78 132.00 137.23 1vre h PRO 53 Ca -0.31 0.00 0.20 0.00 -0.87 0.00 0.00 66.00 65.02 1vre h PRO 53 Cb 1.18 0.00 -0.09 0.00 0.13 0.00 0.00 31.00 32.22 1vre h PRO 53 CO 0.48 0.33 0.62 0.78 -0.23 0.00 0.00 178.00 179.97 1vre h GLY 54 N 1.12 1.49 0.12 1.56 0.00 -1.95 0.73 103.07 106.14 1vre h GLY 54 Ca -0.00 -0.30 0.12 0.00 0.00 0.00 0.00 47.33 47.15 1vre h GLY 54 CO 0.04 -0.05 0.12 -2.08 0.00 0.00 0.00 176.54 174.57 1vre h VAL 55 N 0.64 0.61 0.00 4.60 2.07 -1.87 0.93 116.25 123.22 1vre h VAL 55 Ca 0.55 -0.08 0.00 0.00 0.82 0.00 0.00 66.70 67.99 1vre h VAL 55 Cb 1.03 0.34 0.00 0.00 -1.52 0.00 0.00 31.29 31.13 1vre h VAL 55 CO -0.32 0.05 0.00 0.00 0.02 0.00 0.00 177.57 177.32 1vre h ALA 56 N 1.51 1.00 0.07 1.67 0.00 -1.03 -1.28 119.26 121.20 1vre h ALA 56 Ca 0.33 0.00 -0.09 0.00 0.00 0.00 0.00 54.91 55.15 1vre h ALA 56 Cb 0.51 0.00 0.01 0.00 0.00 0.00 0.00 17.79 18.31 1vre h ALA 56 CO -0.43 0.00 -0.39 0.22 0.00 0.00 0.00 179.25 178.65 1vre h ASP 57 N 0.00 0.23 0.32 0.00 3.58 0.10 -2.91 116.42 117.74 1vre h ASP 57 Ca 0.00 -0.97 -0.02 0.00 0.42 0.00 0.00 57.03 56.46 1vre h ASP 57 Cb 0.18 -0.07 0.00 0.00 1.72 0.00 0.00 39.33 41.16 1vre h ASP 57 CO 0.00 1.18 -0.15 -0.07 -2.88 0.00 0.00 179.24 177.32 1vre h LEU 58 N -0.69 -0.37 -1.88 2.28 3.38 -1.00 -0.56 115.31 116.47 1vre h LEU 58 Ca -0.07 0.01 0.35 0.00 0.09 0.00 0.00 57.88 58.26 1vre h LEU 58 Cb 1.30 0.09 -0.06 0.00 0.09 0.00 0.00 40.66 42.08 1vre h LEU 58 CO 0.07 0.05 0.85 1.23 0.09 0.00 0.00 178.44 180.73 1vre h GLY 59 N -1.05 0.23 0.08 0.83 0.00 -1.44 0.47 103.07 102.20 1vre h GLY 59 Ca -0.04 -0.04 -0.00 0.00 0.00 0.00 0.00 47.33 47.25 1vre h GLY 59 CO 0.07 -0.04 -0.04 0.00 0.00 0.00 0.00 176.54 176.54 1vre h ALA 60 N 1.43 -0.11 -0.99 3.60 0.00 -1.49 -2.30 119.26 119.40 1vre h ALA 60 Ca 0.60 -0.02 0.17 0.00 0.00 0.00 0.00 54.91 55.65 1vre h ALA 60 Cb 2.24 0.04 -0.09 0.00 0.00 0.00 0.00 17.79 19.97 1vre h ALA 60 CO -0.07 -0.10 0.61 0.87 0.00 0.00 0.00 179.25 180.57 1vre h LYS 61 N -0.97 0.76 -0.12 0.00 1.57 -0.17 -0.86 116.57 116.78 1vre h LYS 61 Ca -0.01 -0.05 -0.01 0.00 -1.87 0.00 0.00 60.65 58.71 1vre h LYS 61 Cb 0.08 -0.17 -0.00 0.00 0.08 0.00 0.00 32.23 32.21 1vre h LYS 61 CO 0.02 0.50 0.03 0.28 -0.57 0.00 0.00 179.45 179.71 1vre h VAL 62 N 0.78 1.20 -0.82 0.50 2.07 -0.20 -2.84 116.25 116.95 1vre h VAL 62 Ca 0.54 -0.62 0.19 0.00 0.82 0.00 0.00 66.70 67.63 1vre h VAL 62 Cb 0.81 1.38 -0.12 0.00 -1.52 0.00 0.00 31.29 31.84 1vre h VAL 62 CO -0.31 0.18 0.24 -0.07 0.02 0.00 0.00 177.57 177.62 1vre h LEU 63 N -0.01 0.07 -0.41 2.57 -0.00 -0.56 -0.04 115.31 116.93 1vre h LEU 63 Ca 0.04 0.16 0.09 0.00 -0.00 0.00 0.00 57.88 58.17 1vre h LEU 63 Cb 0.26 0.21 -0.09 0.00 -0.00 0.00 0.00 40.66 41.03 1vre h LEU 63 CO 0.00 -0.07 -0.25 0.00 -0.00 0.00 0.00 178.44 178.13 1vre h ALA 64 N 1.69 0.00 -0.81 1.53 0.00 -1.21 0.14 119.26 120.61 1vre h ALA 64 Ca 0.49 0.13 0.17 0.00 0.00 0.00 0.00 54.91 55.70 1vre h ALA 64 Cb 0.90 0.57 -0.11 0.00 0.00 0.00 0.00 17.79 19.15 1vre h ALA 64 CO -0.56 -0.62 0.31 0.37 0.00 0.00 0.00 179.25 178.75 1vre h GLN 65 N -0.17 0.39 0.00 0.00 5.75 -1.02 1.13 115.11 121.19 1vre h GLN 65 Ca 0.19 -0.02 -0.03 0.00 -0.15 0.00 0.00 58.65 58.64 1vre h GLN 65 Cb 0.48 -0.09 -0.00 0.00 1.07 0.00 0.00 27.48 28.94 1vre h GLN 65 CO -0.51 0.26 -0.13 0.82 -2.65 0.00 0.00 178.83 176.62 1vre h ILE 66 N 0.40 0.90 0.23 2.39 2.04 -0.60 -1.35 117.51 121.51 1vre h ILE 66 Ca 0.47 -0.47 -0.01 0.00 1.00 0.00 0.00 64.86 65.84 1vre h ILE 66 Cb 0.79 1.27 0.00 0.00 -0.74 0.00 0.00 36.82 38.14 1vre h ILE 66 CO -0.47 0.13 -0.11 1.23 0.00 0.00 0.00 178.15 178.93 1vre h GLY 67 N 0.51 -0.32 1.63 5.37 0.00 0.26 -0.77 103.07 109.76 1vre h GLY 67 Ca -0.00 0.12 0.03 0.00 0.00 0.00 0.00 47.33 47.48 1vre h GLY 67 CO 0.02 -0.12 0.15 -2.08 0.00 0.00 0.00 176.54 174.51 1vre h VAL 68 N -0.88 0.39 0.00 4.60 2.07 -0.89 0.33 116.25 121.88 1vre h VAL 68 Ca -0.03 0.00 0.00 0.00 0.82 0.00 0.00 66.70 67.49 1vre h VAL 68 Cb 0.51 0.87 0.00 0.00 -1.52 0.00 0.00 31.29 31.15 1vre h VAL 68 CO 0.05 0.00 -0.55 0.00 0.02 0.00 0.00 177.57 177.09 1vre h ALA 69 N 1.80 0.70 0.00 1.67 0.00 -1.09 -3.26 119.26 119.08 1vre h ALA 69 Ca 0.05 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.96 1vre h ALA 69 Cb 0.36 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.15 1vre h ALA 69 CO -0.00 0.00 0.00 0.28 0.00 0.00 0.00 179.25 179.53 1vre h VAL 70 N 0.00 0.00 -0.31 0.00 2.07 0.12 -2.88 116.25 115.25 1vre h VAL 70 Ca 0.00 -0.46 0.00 0.00 0.82 0.00 0.00 66.70 67.06 1vre h VAL 70 Cb 0.90 1.36 0.00 0.00 -1.52 0.00 0.00 31.29 32.03 1vre h VAL 70 CO 0.00 0.00 0.00 -1.20 0.02 0.00 0.00 177.57 176.39 1vre n SER 71 N -2.46 1.83 -2.73 0.57 7.64 -1.18 -4.32 113.62 112.98 1vre n SER 71 Ca 0.03 -2.04 -0.08 0.00 1.01 0.00 0.00 58.87 57.79 1vre n SER 71 Cb 0.35 -0.25 0.09 0.00 -1.01 0.00 0.00 64.21 63.39 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 0.41 -2.69 0.00 1.43 8.25 -1.09 -4.98 115.22 116.56 1vre n HIS 72 Ca 0.11 -1.94 -0.18 0.00 -0.26 0.00 0.00 57.72 55.45 1vre n HIS 72 Cb 0.31 1.58 -0.10 0.00 1.12 0.00 0.00 29.99 32.90 1vre n HIS 72 CO 0.00 0.00 0.00 -0.07 0.64 0.00 0.00 176.34 176.91 1vre h LEU 73 N 3.05 0.66 -0.19 2.41 -0.00 -1.75 -3.24 115.31 116.25 1vre h LEU 73 Ca -0.13 -0.72 -0.13 0.00 -0.00 0.00 0.00 57.88 56.91 1vre h LEU 73 Cb 1.10 -0.20 -0.02 0.00 -0.00 0.00 0.00 40.66 41.54 1vre h LEU 73 CO 0.14 1.29 -0.60 1.23 -0.00 0.00 0.00 178.44 180.50 1vre h GLY 74 N 0.10 0.00 -7.59 0.83 0.00 -1.94 -3.39 103.07 91.08 1vre h GLY 74 Ca -0.08 0.00 -0.73 0.00 0.00 0.00 0.00 47.33 46.53 1vre h GLY 74 CO 0.14 0.00 0.73 0.99 0.00 0.00 0.00 176.54 178.40 1vre s ASP 75 N -6.53 6.78 -0.55 0.19 1.01 -1.22 -4.86 116.67 111.50 1vre s ASP 75 Ca 0.02 -2.46 -0.02 0.00 0.71 0.00 0.00 52.55 50.80 1vre s ASP 75 Cb 0.09 -2.34 0.29 0.00 1.01 0.00 0.00 42.92 41.96 1vre s ASP 75 CO 0.75 -0.84 2.16 -1.84 0.21 0.00 0.00 175.17 175.61 1vre n GLU 76 N 5.54 2.36 -0.01 8.23 0.00 -1.26 -4.14 120.64 131.37 1vre n GLU 76 Ca 0.24 -2.60 0.03 0.00 0.00 0.00 0.00 57.16 54.82 1vre n GLU 76 Cb 0.47 -2.04 -0.05 0.00 0.00 0.00 0.00 31.44 29.81 1vre n GLU 76 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.13 177.54 1vre n GLY 77 N -0.13 -0.32 1.33 -1.84 0.00 -1.26 -4.66 105.19 98.31 1vre n GLY 77 Ca 0.48 -0.16 0.00 0.00 0.00 0.00 0.00 46.02 46.35 1vre n GLY 77 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 173.32 174.49 1vre n LYS 78 N -1.81 0.00 0.09 1.61 4.81 -1.26 -4.52 118.16 117.09 1vre n LYS 78 Ca -0.03 0.00 0.20 0.00 -0.87 0.00 0.00 58.31 57.62 1vre n LYS 78 Cb 0.25 -0.35 0.69 0.00 0.02 0.00 0.00 35.03 35.65 1vre n LYS 78 CO 0.00 0.00 0.00 0.00 1.17 0.00 0.00 177.40 178.57 1vre h MET 79 N 0.00 0.00 0.00 1.64 -0.00 -1.88 1.57 114.93 116.26 1vre h MET 79 Ca 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 59.70 59.70 1vre h MET 79 Cb 0.14 0.00 0.00 0.00 -0.00 0.00 0.00 31.60 31.74 1vre h MET 79 CO 0.00 0.00 -0.35 0.28 -0.00 0.00 0.00 176.91 176.84 1vre h VAL 80 N 0.00 0.00 -0.25 -0.10 2.07 -1.83 -3.23 116.25 112.91 1vre h VAL 80 Ca 0.20 -0.70 -0.19 0.00 0.82 0.00 0.00 66.70 66.83 1vre h VAL 80 Cb 1.30 1.50 0.00 0.00 -1.52 0.00 0.00 31.29 32.57 1vre h VAL 80 CO -0.00 0.00 -0.59 0.00 0.02 0.00 0.00 177.57 177.00 1vre h ALA 81 N 2.30 0.47 -0.07 1.67 0.00 0.21 -1.26 119.26 122.57 1vre h ALA 81 Ca 0.00 -0.53 -0.03 0.00 0.00 0.00 0.00 54.91 54.35 1vre h ALA 81 Cb 0.85 -0.07 -0.00 0.00 0.00 0.00 0.00 17.79 18.57 1vre h ALA 81 CO 0.00 0.68 -0.07 1.49 0.00 0.00 0.00 179.25 181.35 1vre h GLU 82 N 0.62 0.17 -0.37 0.00 4.81 -1.61 -2.75 114.58 115.45 1vre h GLU 82 Ca 0.00 -0.09 0.02 0.00 -0.13 0.00 0.00 59.36 59.16 1vre h GLU 82 Cb 1.20 0.00 -0.03 0.00 0.63 0.00 0.00 28.75 30.55 1vre h GLU 82 CO 0.13 0.62 0.20 0.52 -0.73 0.00 0.00 179.01 179.75 1vre h MET 83 N -0.26 0.40 -0.85 1.92 2.86 -1.59 -0.63 114.93 116.78 1vre h MET 83 Ca 0.01 -0.02 0.18 0.00 -2.06 0.00 0.00 59.70 57.81 1vre h MET 83 Cb 0.59 -0.09 -0.06 0.00 0.06 0.00 0.00 31.60 32.10 1vre h MET 83 CO 0.02 0.26 0.56 0.87 1.06 0.00 0.00 176.91 179.69 1vre h LYS 84 N 0.41 0.41 -0.29 1.72 1.57 -0.77 0.52 116.57 120.14 1vre h LYS 84 Ca 0.15 -0.02 -0.11 0.00 -1.87 0.00 0.00 60.65 58.80 1vre h LYS 84 Cb 0.03 -0.09 -0.01 0.00 0.08 0.00 0.00 32.23 32.24 1vre h LYS 84 CO -0.09 0.27 -0.23 0.00 -0.57 0.00 0.00 179.45 178.83 1vre h ALA 85 N 1.62 0.43 -1.00 3.86 0.00 -0.83 -2.90 119.26 120.44 1vre h ALA 85 Ca 0.43 -0.38 0.19 0.00 0.00 0.00 0.00 54.91 55.16 1vre h ALA 85 Cb 1.04 -0.10 -0.11 0.00 0.00 0.00 0.00 17.79 18.62 1vre h ALA 85 CO -0.16 0.40 0.60 0.28 0.00 0.00 0.00 179.25 180.37 1vre h VAL 86 N 0.43 0.69 -0.05 0.00 2.07 -0.17 0.13 116.25 119.34 1vre h VAL 86 Ca 0.05 -0.25 0.02 0.00 0.82 0.00 0.00 66.70 67.34 1vre h VAL 86 Cb 0.79 -0.12 -0.02 0.00 -1.52 0.00 0.00 31.29 30.43 1vre h VAL 86 CO 0.06 0.14 -0.05 1.23 0.02 0.00 0.00 177.57 178.97 1vre h GLY 87 N 0.74 0.00 0.66 2.17 0.00 -1.32 0.46 103.07 105.77 1vre h GLY 87 Ca 0.58 0.06 0.13 0.00 0.00 0.00 0.00 47.33 48.10 1vre h GLY 87 CO -0.39 -0.06 0.53 -2.08 0.00 0.00 0.00 176.54 174.54 1vre h VAL 88 N -0.06 0.84 -0.31 4.60 2.07 0.80 0.20 116.25 124.39 1vre h VAL 88 Ca 0.04 -0.20 -0.05 0.00 0.82 0.00 0.00 66.70 67.31 1vre h VAL 88 Cb 0.11 0.20 -0.01 0.00 -1.52 0.00 0.00 31.29 30.08 1vre h VAL 88 CO -0.09 0.11 0.01 0.03 0.02 0.00 0.00 177.57 177.64 1vre h ARG 89 N 0.59 0.54 0.00 1.57 -0.00 0.20 -1.88 114.38 115.40 1vre h ARG 89 Ca 0.40 -0.17 0.00 0.00 -0.50 0.00 0.00 59.98 59.71 1vre h ARG 89 Cb 0.71 -0.05 0.00 0.00 0.00 0.00 0.00 29.97 30.63 1vre h ARG 89 CO -0.16 0.68 0.00 0.72 0.00 0.00 0.00 179.97 181.21 1vre n HIS 90 N -4.56 0.36 0.82 3.04 8.25 -0.02 -1.77 115.22 121.33 1vre n HIS 90 Ca -0.02 0.16 0.10 0.00 -0.26 0.00 0.00 57.72 57.70 1vre n HIS 90 Cb 0.26 -0.76 0.48 0.00 1.12 0.00 0.00 29.99 31.08 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 -1.85 0.11 -2.86 -0.41 0.00 -0.65 -3.92 118.16 108.57 1vre n LYS 91 Ca 0.01 0.12 -0.12 0.00 0.00 0.00 0.00 58.31 58.33 1vre n LYS 91 Cb 0.10 -1.50 0.05 0.00 0.00 0.00 0.00 35.03 33.68 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 0.61 1.71 0.00 3.14 0.00 -0.73 -4.86 105.19 105.06 1vre n GLY 92 Ca 0.07 -0.64 0.00 0.00 0.00 0.00 0.00 46.02 45.44 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 0.17 -3.49 0.98 1.61 4.02 -1.24 -4.94 117.16 114.27 1vre n TYR 93 Ca 0.11 0.00 0.12 0.00 -0.01 0.00 0.00 57.90 58.12 1vre n TYR 93 Cb 0.72 0.00 0.58 0.00 -0.02 0.00 0.00 39.34 40.62 1vre n TYR 93 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 176.86 176.26 1vre n GLY 94 N 5.00 -1.31 0.02 2.72 0.00 -1.26 -3.47 105.19 106.88 1vre n GLY 94 Ca 0.00 -0.10 0.01 0.00 0.00 0.00 0.00 46.02 45.93 1vre n GLY 94 CO 0.00 0.00 0.00 1.16 0.00 0.00 0.00 173.32 174.48 1vre n ASN 95 N -1.44 3.06 -2.27 1.61 6.94 -1.26 -4.98 115.26 116.91 1vre n ASN 95 Ca 0.08 0.00 -0.12 0.00 -0.02 0.00 0.00 54.58 54.52 1vre n ASN 95 Cb 0.27 1.13 -0.01 0.00 -2.36 0.00 0.00 39.78 38.81 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 -1.98 -2.10 -2.18 -3.83 5.02 -1.23 -4.79 118.16 107.07 1vre n LYS 96 Ca -0.06 0.60 -0.10 0.00 -2.02 0.00 0.00 58.31 56.73 1vre n LYS 96 Cb 0.42 -5.14 0.05 0.00 -0.02 0.00 0.00 35.03 30.35 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 -3.12 1.73 -2.99 2.13 8.25 -1.26 -5.02 115.22 114.95 1vre n HIS 97 Ca -0.14 -2.00 -0.30 0.00 -0.26 0.00 0.00 57.72 55.02 1vre n HIS 97 Cb 0.57 -0.28 -0.03 0.00 1.12 0.00 0.00 29.99 31.38 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 -3.84 4.84 -0.03 1.59 1.01 -1.26 -4.95 121.20 118.57 1vre s ILE 98 Ca 0.39 0.49 -0.21 0.00 0.00 0.00 0.00 60.65 61.31 1vre s ILE 98 Cb 0.37 -3.73 0.04 0.00 0.01 0.00 0.00 42.46 39.15 1vre s ILE 98 CO -0.02 -0.46 0.46 -0.54 0.00 0.00 0.00 174.94 174.39 1vre s LYS 99 N -3.75 0.83 0.00 2.79 3.01 -1.26 -4.95 119.74 116.40 1vre s LYS 99 Ca 0.49 0.01 0.29 0.00 -1.01 0.00 0.00 55.97 55.75 1vre s LYS 99 Cb -0.10 0.38 1.31 0.00 -1.01 0.00 0.00 37.83 38.40 1vre s LYS 99 CO 0.31 -0.24 1.96 0.00 0.51 0.00 0.00 175.35 177.88 1vre n ALA 100 N 1.15 2.39 0.17 5.17 0.00 -1.26 -3.29 120.51 124.83 1vre n ALA 100 Ca -0.20 -0.12 0.01 0.00 0.00 0.00 0.00 53.44 53.13 1vre n ALA 100 Cb 0.56 -1.47 0.30 0.00 0.00 0.00 0.00 19.45 18.85 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 0.02 0.00 0.00 4.11 -2.03 -2.55 114.58 114.14 1vre h GLU 101 Ca 0.00 -0.01 -0.03 0.00 0.07 0.00 0.00 59.36 59.39 1vre h GLU 101 Cb 0.44 -0.00 -0.00 0.00 0.50 0.00 0.00 28.75 29.69 1vre h GLU 101 CO 0.00 0.45 -0.36 1.88 0.07 0.00 0.00 179.01 181.05 1vre h TYR 102 N 0.02 0.00 0.09 2.06 0.05 -1.99 -3.36 116.97 113.84 1vre h TYR 102 Ca -0.00 0.00 -0.00 0.00 0.05 0.00 0.00 58.73 58.77 1vre h TYR 102 Cb 0.77 0.00 -0.00 0.00 1.01 0.00 0.00 36.73 38.50 1vre h TYR 102 CO 0.00 0.12 -0.06 0.74 -1.05 0.00 0.00 178.16 177.92 1vre h PHE 103 N 0.00 -0.16 -0.62 4.88 -1.00 -1.58 0.43 116.94 118.89 1vre h PHE 103 Ca -0.01 -0.00 0.06 0.00 2.81 0.00 0.00 57.97 60.83 1vre h PHE 103 Cb 1.10 0.06 -0.09 0.00 3.61 0.00 0.00 35.95 40.62 1vre h PHE 103 CO 0.00 -0.09 -0.56 0.93 -1.61 0.00 0.00 178.31 176.98 1vre h GLU 104 N -0.14 -0.23 -0.13 1.51 5.08 -1.73 1.55 114.58 120.48 1vre h GLU 104 Ca -0.01 0.02 0.03 0.00 -1.00 0.00 0.00 59.36 58.40 1vre h GLU 104 Cb 0.11 0.05 -0.03 0.00 0.50 0.00 0.00 28.75 29.38 1vre h GLU 104 CO 0.01 -0.16 -0.07 -1.00 -1.00 0.00 0.00 179.01 176.79 1vre h PRO 105 N -0.24 -0.06 0.00 2.33 0.13 -1.70 0.15 132.00 132.60 1vre h PRO 105 Ca 0.10 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.24 1vre h PRO 105 Cb 0.51 0.01 0.00 0.00 0.13 0.00 0.00 31.00 31.66 1vre h PRO 105 CO -0.71 -0.04 0.00 1.25 -0.23 0.00 0.00 178.00 178.26 1vre h LEU 106 N -0.07 0.00 0.13 1.56 7.12 0.12 -1.82 115.31 122.35 1vre h LEU 106 Ca 0.07 0.00 -0.17 0.00 0.13 0.00 0.00 57.88 57.91 1vre h LEU 106 Cb 0.18 0.00 0.02 0.00 -0.53 0.00 0.00 40.66 40.33 1vre h LEU 106 CO -0.17 0.00 -0.76 1.23 -0.13 0.00 0.00 178.44 178.61 1vre h GLY 107 N 1.11 0.32 0.83 3.75 0.00 0.45 -2.81 103.07 106.72 1vre h GLY 107 Ca 0.00 -0.82 -0.03 0.00 0.00 0.00 0.00 47.33 46.48 1vre h GLY 107 CO 0.00 0.72 0.02 0.00 0.00 0.00 0.00 176.54 177.28 1vre h ALA 108 N 0.08 0.26 0.00 3.60 0.00 -0.48 -1.91 119.26 120.80 1vre h ALA 108 Ca -0.13 -0.18 0.00 0.00 0.00 0.00 0.00 54.91 54.60 1vre h ALA 108 Cb 1.60 -0.07 0.00 0.00 0.00 0.00 0.00 17.79 19.32 1vre h ALA 108 CO 0.14 -0.06 0.00 0.77 0.00 0.00 0.00 179.25 180.10 1vre h SER 109 N 0.11 0.00 -0.03 0.00 0.02 -1.46 -2.20 113.55 109.98 1vre h SER 109 Ca 0.06 0.00 -0.25 0.00 -0.84 0.00 0.00 61.79 60.75 1vre h SER 109 Cb 0.34 0.00 0.02 0.00 0.14 0.00 0.00 62.40 62.90 1vre h SER 109 CO 0.01 0.00 -0.97 0.25 -1.14 0.00 0.00 176.83 174.98 1vre h LEU 110 N 0.00 0.91 -1.68 5.07 6.46 -1.07 -3.14 115.31 121.85 1vre h LEU 110 Ca 0.00 -0.72 -0.03 0.00 -0.12 0.00 0.00 57.88 57.01 1vre h LEU 110 Cb 0.15 -0.28 -0.00 0.00 -0.73 0.00 0.00 40.66 39.80 1vre h LEU 110 CO 0.00 1.50 -0.15 -0.07 -0.62 0.00 0.00 178.44 179.10 1vre h LEU 111 N 0.40 0.01 -0.99 2.25 3.38 -1.23 -0.84 115.31 118.29 1vre h LEU 111 Ca -0.11 -0.00 -0.01 0.00 0.09 0.00 0.00 57.88 57.84 1vre h LEU 111 Cb 1.62 -0.00 -0.00 0.00 0.09 0.00 0.00 40.66 42.37 1vre h LEU 111 CO 0.19 0.16 -0.06 -1.28 0.09 0.00 0.00 178.44 177.54 1vre h SER 112 N 0.01 0.00 0.53 -0.43 0.87 -1.53 -3.06 113.55 109.94 1vre h SER 112 Ca 0.00 0.00 -0.29 0.00 -1.23 0.00 0.00 61.79 60.27 1vre h SER 112 Cb 0.28 0.00 -0.04 0.00 -0.44 0.00 0.00 62.40 62.19 1vre h SER 112 CO 0.02 0.06 -1.62 0.00 -0.53 0.00 0.00 176.83 174.76 1vre h ALA 113 N 1.94 0.65 -0.77 6.23 0.00 -1.14 -3.34 119.26 122.83 1vre h ALA 113 Ca -0.00 -1.36 0.11 0.00 0.00 0.00 0.00 54.91 53.66 1vre h ALA 113 Cb 0.71 0.40 -0.05 0.00 0.00 0.00 0.00 17.79 18.84 1vre h ALA 113 CO 0.01 1.49 0.50 0.52 0.00 0.00 0.00 179.25 181.77 1vre h MET 114 N 0.01 0.60 -0.06 0.00 2.07 -1.26 0.20 114.93 116.49 1vre h MET 114 Ca -0.25 -0.04 0.02 0.00 -2.07 0.00 0.00 59.70 57.36 1vre h MET 114 Cb 1.98 -0.13 -0.00 0.00 -1.87 0.00 0.00 31.60 31.57 1vre h MET 114 CO 0.09 0.39 0.13 1.05 1.07 0.00 0.00 176.91 179.64 1vre h GLU 115 N 0.61 0.00 -0.96 1.72 4.11 -1.68 -1.11 114.58 117.28 1vre h GLU 115 Ca 0.36 0.00 0.07 0.00 0.07 0.00 0.00 59.36 59.86 1vre h GLU 115 Cb 0.57 0.00 -0.07 0.00 0.50 0.00 0.00 28.75 29.75 1vre h GLU 115 CO -0.13 0.00 0.61 0.45 0.07 0.00 0.00 179.01 180.01 1vre h HIS 116 N 0.00 1.13 0.10 2.06 3.86 -0.82 1.28 115.15 122.76 1vre h HIS 116 Ca 0.03 0.03 -0.00 0.00 -1.16 0.00 0.00 60.37 59.26 1vre h HIS 116 Cb 0.28 -0.37 0.00 0.00 1.06 0.00 0.00 27.41 28.38 1vre h HIS 116 CO 0.00 0.57 -0.05 -0.09 0.86 0.00 0.00 177.93 179.22 1vre h ARG 117 N 1.10 -0.12 -1.61 2.45 2.43 -1.35 -3.33 114.38 113.95 1vre h ARG 117 Ca 0.42 0.01 -0.44 0.00 -0.81 0.00 0.00 59.98 59.16 1vre h ARG 117 Cb 0.20 0.03 -0.18 0.00 -0.42 0.00 0.00 29.97 29.60 1vre h ARG 117 CO -0.18 -0.08 0.50 0.44 -1.51 0.00 0.00 179.97 179.13 1vre n ILE 118 N -4.26 3.09 -1.67 1.20 -5.35 -1.17 -4.96 119.36 106.24 1vre n ILE 118 Ca -0.02 -2.32 -0.50 0.00 -0.27 0.00 0.00 62.75 59.65 1vre n ILE 118 Cb 0.05 -1.38 -0.05 0.00 -1.74 0.00 0.00 39.64 36.52 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 0.29 1.12 0.00 3.28 0.00 0.44 -0.20 105.19 110.12 1vre n GLY 119 Ca 0.41 0.79 0.00 0.00 0.00 0.00 0.00 46.02 47.22 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 3.81 3.04 0.10 -0.02 0.00 -1.26 -4.76 105.19 106.11 1vre n GLY 120 Ca 0.21 -0.63 0.03 0.00 0.00 0.00 0.00 46.02 45.62 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 -5.73 1.61 1.79 -0.95 -3.42 116.57 109.87 1vre h LYS 121 Ca 0.00 0.00 -0.38 0.00 -2.18 0.00 0.00 60.65 58.09 1vre h LYS 121 Cb 0.00 0.00 -0.06 0.00 -1.58 0.00 0.00 32.23 30.59 1vre h LYS 121 CO 0.00 0.25 1.04 1.41 -1.08 0.00 0.00 179.45 181.07 1vre s MET 122 N -3.02 2.81 0.18 3.15 1.75 -0.53 -4.91 119.30 118.73 1vre s MET 122 Ca -0.02 -0.76 -0.02 0.00 -1.25 0.00 0.00 55.69 53.64 1vre s MET 122 Cb 0.09 -5.19 0.04 0.00 2.84 0.00 0.00 34.83 32.61 1vre s MET 122 CO 0.80 -3.26 0.25 0.27 -0.65 0.00 0.00 175.02 172.43 1vre n ASN 123 N 12.87 0.09 -0.20 1.11 6.94 -1.26 -4.81 115.26 130.00 1vre n ASN 123 Ca 0.41 -1.14 -0.08 0.00 -0.02 0.00 0.00 54.58 53.75 1vre n ASN 123 Cb 0.47 -0.18 0.02 0.00 -2.36 0.00 0.00 39.78 37.73 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 -1.52 0.73 0.00 -2.53 0.00 -1.99 -2.07 119.26 111.87 1vre h ALA 124 Ca -0.08 -0.20 -0.01 0.00 0.00 0.00 0.00 54.91 54.62 1vre h ALA 124 Cb 0.24 -0.21 -0.00 0.00 0.00 0.00 0.00 17.79 17.82 1vre h ALA 124 CO 0.06 0.40 -0.05 0.00 0.00 0.00 0.00 179.25 179.66 1vre h ALA 125 N 1.03 1.91 0.02 0.00 0.00 -1.97 0.41 119.26 120.66 1vre h ALA 125 Ca 0.18 -0.05 -0.00 0.00 0.00 0.00 0.00 54.91 55.04 1vre h ALA 125 Cb 0.29 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.08 1vre h ALA 125 CO -0.00 0.07 -0.01 0.00 0.00 0.00 0.00 179.25 179.31 1vre h ALA 126 N 1.95 -0.02 0.00 0.00 0.00 -1.70 0.35 119.26 119.83 1vre h ALA 126 Ca -0.00 -0.24 -0.10 0.00 0.00 0.00 0.00 54.91 54.56 1vre h ALA 126 Cb 0.10 0.01 -0.01 0.00 0.00 0.00 0.00 17.79 17.88 1vre h ALA 126 CO 0.01 -0.27 -0.49 1.57 0.00 0.00 0.00 179.25 180.07 1vre h LYS 127 N -0.52 0.00 0.00 0.00 2.10 -1.05 -2.27 116.57 114.83 1vre h LYS 127 Ca -0.00 0.00 -0.02 0.00 -2.00 0.00 0.00 60.65 58.63 1vre h LYS 127 Cb 0.50 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 31.83 1vre h LYS 127 CO 0.00 0.49 -0.08 0.22 -2.00 0.00 0.00 179.45 178.09 1vre h ASP 128 N 0.00 0.07 -0.57 7.07 1.82 -0.14 0.12 116.42 124.79 1vre h ASP 128 Ca -0.00 -0.82 0.06 0.00 -0.39 0.00 0.00 57.03 55.87 1vre h ASP 128 Cb 0.97 -0.02 -0.05 0.00 0.68 0.00 0.00 39.33 40.91 1vre h ASP 128 CO 0.06 0.88 0.28 0.00 -1.61 0.00 0.00 179.24 178.86 1vre h ALA 129 N 0.19 0.74 -0.03 -0.78 0.00 -0.31 -0.22 119.26 118.85 1vre h ALA 129 Ca -0.01 0.03 -0.16 0.00 0.00 0.00 0.00 54.91 54.77 1vre h ALA 129 Cb 0.89 -0.06 -0.01 0.00 0.00 0.00 0.00 17.79 18.61 1vre h ALA 129 CO 0.02 -0.07 -0.70 -1.49 0.00 0.00 0.00 179.25 177.01 1vre h TRP 130 N 0.54 0.22 0.00 0.00 4.06 -1.48 -1.15 115.95 118.15 1vre h TRP 130 Ca 0.26 -0.10 -0.02 0.00 2.06 0.00 0.00 58.89 61.08 1vre h TRP 130 Cb 0.19 -0.03 -0.00 0.00 -1.00 0.00 0.00 29.16 28.31 1vre h TRP 130 CO -0.11 0.81 -0.12 0.00 -3.56 0.00 0.00 178.44 175.47 1vre h ALA 131 N 1.16 1.27 0.00 1.49 0.00 0.47 0.36 119.26 124.02 1vre h ALA 131 Ca -0.02 -0.11 -0.23 0.00 0.00 0.00 0.00 54.91 54.56 1vre h ALA 131 Cb 1.25 -0.02 -0.04 0.00 0.00 0.00 0.00 17.79 18.98 1vre h ALA 131 CO 0.10 0.15 -1.82 0.00 0.00 0.00 0.00 179.25 177.68 1vre n ALA 132 N -2.28 1.84 0.04 0.00 0.00 -0.21 -3.93 120.51 115.97 1vre n ALA 132 Ca -0.02 -0.81 -0.20 0.00 0.00 0.00 0.00 53.44 52.41 1vre n ALA 132 Cb 0.24 -0.69 -0.14 0.00 0.00 0.00 0.00 19.45 18.86 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 1.30 -0.02 -0.19 0.00 0.00 -0.66 -3.27 119.26 116.42 1vre h ALA 133 Ca -0.27 -0.80 0.06 0.00 0.00 0.00 0.00 54.91 53.89 1vre h ALA 133 Cb 1.77 0.20 -0.01 0.00 0.00 0.00 0.00 17.79 19.76 1vre h ALA 133 CO 0.04 0.49 0.17 1.88 0.00 0.00 0.00 179.25 181.83 1vre h TYR 134 N -0.37 0.00 -0.31 0.00 -1.99 -0.50 -0.99 116.97 112.81 1vre h TYR 134 Ca -0.19 0.00 -0.01 0.00 2.00 0.00 0.00 58.73 60.53 1vre h TYR 134 Cb 1.66 0.00 -0.01 0.00 2.00 0.00 0.00 36.73 40.38 1vre h TYR 134 CO 0.18 0.00 0.15 0.00 -0.00 0.00 0.00 178.16 178.49 1vre h ALA 135 N 1.84 0.41 0.00 3.88 0.00 -1.68 -0.12 119.26 123.59 1vre h ALA 135 Ca 0.09 -0.10 -0.13 0.00 0.00 0.00 0.00 54.91 54.77 1vre h ALA 135 Cb 0.43 -0.12 -0.02 0.00 0.00 0.00 0.00 17.79 18.08 1vre h ALA 135 CO -0.00 -0.03 -0.60 -0.44 0.00 0.00 0.00 179.25 178.18 1vre h ASP 136 N 0.37 0.00 0.57 0.00 5.19 -1.34 -0.20 116.42 121.01 1vre h ASP 136 Ca 0.11 0.00 -0.03 0.00 -0.62 0.00 0.00 57.03 56.49 1vre h ASP 136 Cb 0.12 0.00 0.01 0.00 0.18 0.00 0.00 39.33 39.64 1vre h ASP 136 CO -0.01 0.60 -0.27 0.40 -3.12 0.00 0.00 179.24 176.84 1vre h ILE 137 N 0.00 0.00 -0.07 0.35 2.04 -0.81 -2.14 117.51 116.88 1vre h ILE 137 Ca -0.01 -0.42 -0.02 0.00 1.00 0.00 0.00 64.86 65.42 1vre h ILE 137 Cb 1.19 0.00 -0.00 0.00 -0.74 0.00 0.00 36.82 37.27 1vre h ILE 137 CO 0.08 0.00 -0.02 0.77 0.00 0.00 0.00 178.15 178.98 1vre h SER 138 N -1.18 0.13 -0.82 1.72 4.64 -1.12 -2.72 113.55 114.20 1vre h SER 138 Ca -0.08 -0.37 0.24 0.00 -0.47 0.00 0.00 61.79 61.11 1vre h SER 138 Cb 0.58 -0.04 -0.03 0.00 -0.31 0.00 0.00 62.40 62.61 1vre h SER 138 CO 0.13 0.47 0.60 1.23 -0.87 0.00 0.00 176.83 178.39 1vre h GLY 139 N -0.22 0.00 2.00 -0.77 0.00 -1.14 0.94 103.07 103.88 1vre h GLY 139 Ca 0.02 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.35 1vre h GLY 139 CO 0.01 0.00 0.00 0.00 0.00 0.00 0.00 176.54 176.55 1vre h ALA 140 N 1.58 1.00 0.00 3.60 0.00 -1.07 -3.17 119.26 121.20 1vre h ALA 140 Ca 0.39 0.00 -0.10 0.00 0.00 0.00 0.00 54.91 55.20 1vre h ALA 140 Cb 1.59 0.00 -0.02 0.00 0.00 0.00 0.00 17.79 19.36 1vre h ALA 140 CO -0.00 0.00 -1.20 1.25 0.00 0.00 0.00 179.25 179.30 1vre h LEU 141 N 0.00 0.00 -0.94 0.00 6.46 0.10 -2.54 115.31 118.40 1vre h LEU 141 Ca 0.00 0.00 0.00 0.00 -0.12 0.00 0.00 57.88 57.76 1vre h LEU 141 Cb 0.83 0.00 0.00 0.00 -0.73 0.00 0.00 40.66 40.76 1vre h LEU 141 CO 0.00 0.34 0.00 0.40 -0.62 0.00 0.00 178.44 178.56 1vre h ILE 142 N 0.00 0.00 0.19 4.05 1.08 -1.33 -2.52 117.51 118.99 1vre h ILE 142 Ca -0.09 -0.36 -0.01 0.00 -0.39 0.00 0.00 64.86 64.01 1vre h ILE 142 Cb 1.34 1.21 0.00 0.00 -3.07 0.00 0.00 36.82 36.30 1vre h ILE 142 CO 0.03 0.00 -0.09 0.28 -0.69 0.00 0.00 178.15 177.68 1vre h SER 143 N 0.00 -0.21 0.59 1.72 0.02 -1.67 -2.79 113.55 111.20 1vre h SER 143 Ca 0.00 0.01 0.00 0.00 -0.84 0.00 0.00 61.79 60.96 1vre h SER 143 Cb 0.45 0.06 0.00 0.00 0.14 0.00 0.00 62.40 63.04 1vre h SER 143 CO 0.00 -0.15 0.00 1.23 -1.14 0.00 0.00 176.83 176.77 1vre h GLY 144 N -0.27 0.00 -1.16 -3.77 0.00 -1.57 -3.44 103.07 92.86 1vre h GLY 144 Ca -0.03 0.00 -0.43 0.00 0.00 0.00 0.00 47.33 46.87 1vre h GLY 144 CO 0.04 0.00 -0.20 -0.10 0.00 0.00 0.00 176.54 176.28 1vre n LEU 145 N -2.99 -1.98 -3.99 3.11 7.94 -0.95 -1.12 117.00 117.02 1vre n LEU 145 Ca -0.01 -0.23 -0.28 0.00 -1.11 0.00 0.00 56.01 54.38 1vre n LEU 145 Cb 0.20 -1.19 -0.08 0.00 0.53 0.00 0.00 43.42 42.89 1vre n LEU 145 CO 0.23 -3.39 -0.31 0.00 -1.11 0.00 0.00 177.39 172.81 1vre n GLN 146 N -4.64 -0.89 0.00 1.96 10.64 -1.26 -4.74 117.38 118.45 1vre n GLN 146 Ca 0.02 0.09 0.15 0.00 -1.83 0.00 0.00 57.00 55.43 1vre n GLN 146 Cb 0.55 -3.22 0.73 0.00 -0.86 0.00 0.00 30.24 27.44 1vre n GLN 146 CO 0.00 0.00 0.00 0.45 -1.83 0.00 0.00 177.06 175.68