#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 0.99 0.00 0.99 1.43 -1.26 -4.47 118.68 116.35 1vre s LEU 2 Ca 0.00 -0.44 0.01 0.00 -1.03 0.00 0.00 54.13 52.67 1vre s LEU 2 Cb 0.00 1.35 -0.00 0.00 0.03 0.00 0.00 46.19 47.57 1vre s LEU 2 CO 0.00 -0.74 0.04 -1.54 0.23 0.00 0.00 176.35 174.34 1vre n SER 3 N 0.04 0.52 0.23 2.29 3.41 -1.26 -4.97 113.62 113.88 1vre n SER 3 Ca -0.16 -1.41 0.12 0.00 -0.26 0.00 0.00 58.87 57.16 1vre n SER 3 Cb 0.62 0.25 0.22 0.00 -0.26 0.00 0.00 64.21 65.04 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 1.16 1.00 0.03 7.33 0.00 -2.00 -2.06 119.26 124.72 1vre h ALA 4 Ca -0.05 -0.01 -0.29 0.00 0.00 0.00 0.00 54.91 54.56 1vre h ALA 4 Cb 0.23 -0.00 -0.04 0.00 0.00 0.00 0.00 17.79 17.98 1vre h ALA 4 CO 0.08 0.01 -1.65 0.00 0.00 0.00 0.00 179.25 177.69 1vre h ALA 5 N 1.99 0.62 0.00 0.00 0.00 -1.99 -3.29 119.26 116.59 1vre h ALA 5 Ca -0.00 -1.35 -0.03 0.00 0.00 0.00 0.00 54.91 53.53 1vre h ALA 5 Cb 0.95 0.42 -0.00 0.00 0.00 0.00 0.00 17.79 19.16 1vre h ALA 5 CO 0.00 1.46 -0.18 1.96 0.00 0.00 0.00 179.25 182.49 1vre h GLN 6 N 0.02 0.00 -0.70 0.00 4.20 -1.95 -2.91 115.11 113.77 1vre h GLN 6 Ca -0.27 0.00 0.20 0.00 0.06 0.00 0.00 58.65 58.64 1vre h GLN 6 Cb 1.99 0.00 -0.03 0.00 0.30 0.00 0.00 27.48 29.74 1vre h GLN 6 CO 0.10 0.70 0.59 0.07 -0.67 0.00 0.00 178.83 179.61 1vre h ARG 7 N -1.00 0.00 0.06 1.46 -0.00 -1.57 0.14 114.38 113.47 1vre h ARG 7 Ca -0.04 0.00 -0.17 0.00 -0.00 0.00 0.00 59.98 59.77 1vre h ARG 7 Cb 0.76 0.00 0.02 0.00 -0.00 0.00 0.00 29.97 30.75 1vre h ARG 7 CO -0.03 0.00 -0.70 1.96 -0.00 0.00 0.00 179.97 181.21 1vre h GLN 8 N 0.00 0.37 0.00 0.08 1.08 -1.63 -2.95 115.11 112.07 1vre h GLN 8 Ca 0.33 -0.48 -0.02 0.00 -1.45 0.00 0.00 58.65 57.04 1vre h GLN 8 Cb 1.51 0.15 -0.00 0.00 -0.05 0.00 0.00 27.48 29.09 1vre h GLN 8 CO -0.00 1.16 -0.08 0.28 -0.95 0.00 0.00 178.83 179.24 1vre h VAL 9 N -0.20 0.56 -0.07 -0.54 2.07 -0.59 -1.78 116.25 115.71 1vre h VAL 9 Ca -0.10 -0.33 -0.06 0.00 0.82 0.00 0.00 66.70 67.02 1vre h VAL 9 Cb 1.45 1.21 0.00 0.00 -1.52 0.00 0.00 31.29 32.44 1vre h VAL 9 CO 0.13 0.07 -0.21 0.58 0.02 0.00 0.00 177.57 178.17 1vre h VAL 10 N 0.00 1.43 0.00 2.57 2.07 -1.11 -2.54 116.25 118.67 1vre h VAL 10 Ca -0.00 -1.60 0.00 0.00 0.82 0.00 0.00 66.70 65.92 1vre h VAL 10 Cb 0.21 2.30 0.00 0.00 -1.52 0.00 0.00 31.29 32.28 1vre h VAL 10 CO 0.01 0.45 0.00 0.00 0.02 0.00 0.00 177.57 178.05 1vre n ALA 11 N -2.47 1.77 0.07 1.67 0.00 -0.94 -1.91 120.51 118.70 1vre n ALA 11 Ca -0.08 -0.02 0.09 0.00 0.00 0.00 0.00 53.44 53.43 1vre n ALA 11 Cb 0.43 -1.31 -0.04 0.00 0.00 0.00 0.00 19.45 18.53 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 -1.71 0.72 -0.06 0.00 7.64 -0.71 -3.83 113.62 115.66 1vre n SER 12 Ca 0.04 0.29 0.09 0.00 1.01 0.00 0.00 58.87 60.29 1vre n SER 12 Cb 0.22 0.62 -0.09 0.00 -1.01 0.00 0.00 64.21 63.94 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 -2.66 0.00 0.11 0.44 -2.24 -0.97 -4.25 114.28 104.70 1vre n THR 13 Ca -0.03 -0.08 0.11 0.00 -2.27 0.00 0.00 64.05 61.79 1vre n THR 13 Cb 0.62 1.03 -0.01 0.00 -2.10 0.00 0.00 70.33 69.87 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 -1.25 0.91 0.94 4.78 -0.00 -0.80 -3.16 117.44 118.85 1vre n TRP 14 Ca 0.04 0.26 0.14 0.00 -0.00 0.00 0.00 57.50 57.94 1vre n TRP 14 Cb 0.32 -0.93 0.53 0.00 -0.00 0.00 0.00 31.31 31.23 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 -2.64 0.04 -0.09 5.87 5.02 -1.25 -2.31 118.16 122.80 1vre n LYS 15 Ca -0.00 0.03 -0.17 0.00 -2.02 0.00 0.00 58.31 56.15 1vre n LYS 15 Cb 0.55 -1.54 -0.06 0.00 -0.02 0.00 0.00 35.03 33.96 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 -1.61 1.69 -0.03 4.39 9.92 -1.25 -3.66 116.55 126.01 1vre n ASP 16 Ca 0.07 0.29 -0.03 0.00 -0.53 0.00 0.00 54.79 54.58 1vre n ASP 16 Cb 0.35 -0.67 0.21 0.00 -0.64 0.00 0.00 41.12 40.37 1vre n ASP 16 CO 0.00 0.00 0.00 0.40 0.13 0.00 0.00 177.20 177.73 1vre h ILE 17 N -0.82 1.24 -0.80 0.53 2.04 -1.70 -2.68 117.51 115.33 1vre h ILE 17 Ca -0.32 -1.09 -0.43 0.00 1.00 0.00 0.00 64.86 64.01 1vre h ILE 17 Cb 1.20 1.13 -0.25 0.00 -0.74 0.00 0.00 36.82 38.16 1vre h ILE 17 CO -0.20 0.36 0.41 0.00 0.00 0.00 0.00 178.15 178.73 1vre n ALA 18 N -2.48 5.27 -0.05 1.87 0.00 -0.98 -3.96 120.51 120.19 1vre n ALA 18 Ca 0.01 -3.05 0.00 0.00 0.00 0.00 0.00 53.44 50.40 1vre n ALA 18 Cb 0.34 -1.23 0.00 0.00 0.00 0.00 0.00 19.45 18.56 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 -1.11 -2.63 0.08 0.00 0.00 -1.01 -2.92 105.19 97.59 1vre n GLY 19 Ca 0.52 0.14 -0.10 0.00 0.00 0.00 0.00 46.02 46.58 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 -2.16 2.49 0.26 1.61 3.41 -1.26 -4.45 113.62 113.51 1vre n SER 20 Ca 0.00 -0.06 0.16 0.00 -0.26 0.00 0.00 58.87 58.71 1vre n SER 20 Cb 0.00 0.05 0.57 0.00 -0.26 0.00 0.00 64.21 64.57 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 -2.50 4.04 2.03 -1.82 -3.46 116.42 114.71 1vre h ASP 21 Ca -0.36 0.00 -0.36 0.00 -0.73 0.00 0.00 57.03 55.59 1vre h ASP 21 Cb 1.63 0.00 -0.06 0.00 -0.83 0.00 0.00 39.33 40.06 1vre h ASP 21 CO -0.03 0.00 -0.41 -3.20 -1.03 0.00 0.00 179.24 174.57 1vre n ASN 22 N -3.05 -4.97 0.00 4.15 5.15 -1.15 -0.78 115.26 114.62 1vre n ASN 22 Ca 0.01 0.20 0.00 0.00 -0.60 0.00 0.00 54.58 54.20 1vre n ASN 22 Cb 0.35 -4.27 0.00 0.00 -0.53 0.00 0.00 39.78 35.33 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 -0.71 1.04 0.06 8.20 0.00 -1.25 -3.81 105.19 108.72 1vre n GLY 23 Ca -0.20 -0.35 -0.13 0.00 0.00 0.00 0.00 46.02 45.35 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 0.03 -0.27 4.61 0.00 -1.18 -2.80 119.26 119.64 1vre h ALA 24 Ca 0.00 -0.21 0.00 0.00 0.00 0.00 0.00 54.91 54.70 1vre h ALA 24 Cb 0.13 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 17.92 1vre h ALA 24 CO 0.00 -0.26 0.00 0.41 0.00 0.00 0.00 179.25 179.40 1vre n GLY 25 N -0.02 0.90 0.10 0.00 0.00 -1.26 -3.57 105.19 101.34 1vre n GLY 25 Ca -0.08 -0.33 -0.10 0.00 0.00 0.00 0.00 46.02 45.51 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 0.32 1.43 -0.03 1.61 0.31 -1.07 -4.06 118.33 116.85 1vre n VAL 26 Ca 0.10 -0.84 -0.22 0.00 -0.01 0.00 0.00 64.34 63.38 1vre n VAL 26 Cb 0.36 -0.59 -0.13 0.00 -0.91 0.00 0.00 33.84 32.57 1vre n VAL 26 CO 0.00 0.00 0.00 0.61 -1.32 0.00 0.00 176.83 176.12 1vre n GLY 27 N 1.75 -0.65 0.36 2.92 0.00 -1.16 -2.59 105.19 105.82 1vre n GLY 27 Ca -0.32 -0.15 0.13 0.00 0.00 0.00 0.00 46.02 45.68 1vre n GLY 27 CO 0.00 0.00 0.00 0.07 0.00 0.00 0.00 173.32 173.39 1vre h LYS 28 N -0.29 0.35 0.00 1.61 2.10 -1.70 0.43 116.57 119.07 1vre h LYS 28 Ca -0.40 -0.02 0.00 0.00 -2.00 0.00 0.00 60.65 58.23 1vre h LYS 28 Cb 1.79 -0.08 0.00 0.00 -0.90 0.00 0.00 32.23 33.05 1vre h LYS 28 CO -0.01 0.23 -0.89 1.05 -2.00 0.00 0.00 179.45 177.83 1vre h GLU 29 N 0.36 0.00 0.00 0.07 4.11 -1.70 -3.27 114.58 114.14 1vre h GLU 29 Ca 0.28 0.00 0.00 0.00 0.07 0.00 0.00 59.36 59.71 1vre h GLU 29 Cb 0.61 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.86 1vre h GLU 29 CO -0.07 0.00 -0.39 0.00 0.07 0.00 0.00 179.01 178.62 1vre h PHE 31 N -0.85 0.20 0.26 0.00 -1.00 -0.47 -1.34 116.94 113.73 1vre h PHE 31 Ca 0.00 0.01 0.01 0.00 2.81 0.00 0.00 57.97 60.79 1vre h PHE 31 Cb 0.39 -0.06 -0.03 0.00 3.61 0.00 0.00 35.95 39.87 1vre h PHE 31 CO -0.17 0.05 -0.31 1.79 -1.61 0.00 0.00 178.31 178.06 1vre h THR 32 N 0.14 0.36 -0.21 -1.55 1.35 -1.70 -0.25 112.91 111.06 1vre h THR 32 Ca 0.43 0.00 0.03 0.00 -0.55 0.00 0.00 66.41 66.32 1vre h THR 32 Cb 1.46 0.36 -0.03 0.00 -1.73 0.00 0.00 68.15 68.21 1vre h THR 32 CO -0.07 0.00 0.03 0.11 -0.25 0.00 0.00 175.52 175.34 1vre h LYS 33 N -0.61 0.10 -0.39 4.72 1.57 -1.38 -1.64 116.57 118.94 1vre h LYS 33 Ca -0.00 -0.01 0.08 0.00 -1.87 0.00 0.00 60.65 58.85 1vre h LYS 33 Cb 0.58 -0.02 -0.08 0.00 0.08 0.00 0.00 32.23 32.78 1vre h LYS 33 CO -0.09 0.07 -0.16 0.35 -0.57 0.00 0.00 179.45 179.04 1vre h PHE 34 N 0.11 -0.40 -0.50 -1.35 3.57 -1.16 0.12 116.94 117.32 1vre h PHE 34 Ca 0.09 0.04 0.05 0.00 3.53 0.00 0.00 57.97 61.69 1vre h PHE 34 Cb 0.10 0.23 -0.05 0.00 2.79 0.00 0.00 35.95 39.02 1vre h PHE 34 CO -0.15 -0.24 0.22 -0.07 -2.23 0.00 0.00 178.31 175.84 1vre h LEU 35 N -0.09 0.29 0.75 0.59 3.38 -0.57 1.21 115.31 120.87 1vre h LEU 35 Ca 0.19 0.04 -0.04 0.00 0.09 0.00 0.00 57.88 58.17 1vre h LEU 35 Cb 0.38 -0.01 0.01 0.00 0.09 0.00 0.00 40.66 41.13 1vre h LEU 35 CO -0.45 0.20 -0.36 -1.28 0.09 0.00 0.00 178.44 176.64 1vre h SER 36 N 0.44 -0.85 0.57 -0.43 0.87 -0.23 -2.43 113.55 111.50 1vre h SER 36 Ca 0.23 0.02 -0.01 0.00 -1.23 0.00 0.00 61.79 60.80 1vre h SER 36 Cb 0.19 0.22 -0.00 0.00 -0.44 0.00 0.00 62.40 62.36 1vre h SER 36 CO -0.19 -0.58 -0.06 0.00 -0.53 0.00 0.00 176.83 175.47 1vre h ALA 37 N -0.80 1.09 -3.68 6.23 0.00 -0.61 -3.38 119.26 118.12 1vre h ALA 37 Ca -0.10 -0.05 -0.64 0.00 0.00 0.00 0.00 54.91 54.11 1vre h ALA 37 Cb 0.78 -0.01 -0.39 0.00 0.00 0.00 0.00 17.79 18.17 1vre h ALA 37 CO 0.17 0.07 -0.77 -1.01 0.00 0.00 0.00 179.25 177.71 1vre s HIS 38 N -3.94 3.03 -0.26 0.00 3.76 0.42 -4.94 115.29 113.35 1vre s HIS 38 Ca -0.02 -2.32 0.21 0.00 -0.15 0.00 0.00 55.06 52.79 1vre s HIS 38 Cb 0.11 -2.12 0.06 0.00 1.11 0.00 0.00 32.58 31.75 1vre s HIS 38 CO 0.53 -0.87 1.17 0.45 -0.85 0.00 0.00 174.74 175.18 1vre h HIS 39 N 7.80 0.00 0.00 1.40 -0.00 -1.74 -3.17 115.15 119.45 1vre h HIS 39 Ca -0.13 0.00 -0.00 0.00 -0.00 0.00 0.00 60.37 60.23 1vre h HIS 39 Cb 1.04 0.00 -0.00 0.00 -0.00 0.00 0.00 27.41 28.45 1vre h HIS 39 CO 0.52 0.11 -0.02 0.38 -0.00 0.00 0.00 177.93 178.92 1vre h ASP 40 N 0.00 0.00 0.31 2.45 3.04 -1.92 -2.94 116.42 117.36 1vre h ASP 40 Ca -0.02 0.00 0.00 0.00 -3.24 0.00 0.00 57.03 53.77 1vre h ASP 40 Cb 1.11 0.00 0.00 0.00 -1.04 0.00 0.00 39.33 39.40 1vre h ASP 40 CO 0.01 0.02 -1.55 0.23 -2.04 0.00 0.00 179.24 175.91 1vre n MET 41 N -3.11 0.55 0.41 4.15 2.81 -1.23 -4.14 117.12 116.56 1vre n MET 41 Ca 0.02 -0.08 -0.19 0.00 -1.81 0.00 0.00 57.70 55.64 1vre n MET 41 Cb 0.38 -1.61 -0.09 0.00 -0.71 0.00 0.00 33.22 31.19 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 2.14 -1.03 -0.01 3.04 0.00 -1.49 0.13 119.26 122.05 1vre h ALA 42 Ca 0.00 -0.22 0.00 0.00 0.00 0.00 0.00 54.91 54.69 1vre h ALA 42 Cb 0.93 0.40 -0.00 0.00 0.00 0.00 0.00 17.79 19.12 1vre h ALA 42 CO 0.00 -1.08 0.02 0.00 0.00 0.00 0.00 179.25 178.19 1vre h ALA 43 N -0.78 1.35 0.18 0.00 0.00 -1.68 -1.19 119.26 117.14 1vre h ALA 43 Ca -0.10 -0.00 -0.01 0.00 0.00 0.00 0.00 54.91 54.80 1vre h ALA 43 Cb 0.79 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.58 1vre h ALA 43 CO 0.17 -0.02 -0.09 0.28 0.00 0.00 0.00 179.25 179.59 1vre h VAL 44 N 0.00 0.47 -0.73 0.00 2.07 -1.46 -3.26 116.25 113.34 1vre h VAL 44 Ca 0.00 -1.05 0.11 0.00 0.82 0.00 0.00 66.70 66.58 1vre h VAL 44 Cb 0.04 0.82 -0.05 0.00 -1.52 0.00 0.00 31.29 30.58 1vre h VAL 44 CO -0.00 0.13 0.48 -0.26 0.02 0.00 0.00 177.57 177.95 1vre h PHE 45 N -0.99 0.62 0.00 1.57 0.04 -0.45 -3.40 116.94 114.32 1vre h PHE 45 Ca -0.02 0.02 0.00 0.00 2.80 0.00 0.00 57.97 60.76 1vre h PHE 45 Cb 0.40 -0.20 0.00 0.00 2.20 0.00 0.00 35.95 38.35 1vre h PHE 45 CO 0.06 0.28 0.00 0.41 -0.60 0.00 0.00 178.31 178.45 1vre n GLY 46 N -1.48 1.96 0.00 -1.45 0.00 -0.62 -5.07 105.19 98.53 1vre n GLY 46 Ca 0.13 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.15 1vre n GLY 46 CO 0.00 0.00 0.00 0.69 0.00 0.00 0.00 173.32 174.01 1vre n PHE 47 N -0.28 0.00 -1.78 1.61 3.72 -0.55 -4.95 117.46 115.24 1vre n PHE 47 Ca 0.00 0.00 0.03 0.00 -0.05 0.00 0.00 57.45 57.43 1vre n PHE 47 Cb 0.00 0.00 0.05 0.00 -0.94 0.00 0.00 39.48 38.59 1vre n PHE 47 CO 0.00 0.00 0.00 0.45 -0.05 0.00 0.00 176.76 177.16 1vre n SER 48 N -1.14 0.82 0.00 4.37 2.88 -1.26 -3.92 113.62 115.37 1vre n SER 48 Ca 0.00 -2.39 0.00 0.00 -1.33 0.00 0.00 58.87 55.15 1vre n SER 48 Cb 0.00 -0.29 0.00 0.00 -0.75 0.00 0.00 64.21 63.17 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 -0.40 0.98 1.89 0.46 0.00 -1.26 -4.84 105.19 102.02 1vre n GLY 49 Ca 0.06 -1.89 -0.18 0.00 0.00 0.00 0.00 46.02 44.01 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 -1.00 5.00 -1.56 4.61 0.00 -1.26 -3.92 120.51 122.37 1vre n ALA 50 Ca 0.00 -1.88 0.03 0.00 0.00 0.00 0.00 53.44 51.59 1vre n ALA 50 Cb 0.00 -1.38 0.05 0.00 0.00 0.00 0.00 19.45 18.11 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 -0.07 0.85 -4.60 0.00 7.64 -1.26 -5.00 113.62 111.18 1vre n SER 51 Ca 0.35 -2.30 -0.34 0.00 1.01 0.00 0.00 58.87 57.59 1vre n SER 51 Cb 0.78 -0.26 -0.11 0.00 -1.01 0.00 0.00 64.21 63.62 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 -1.56 5.14 0.59 6.43 1.11 -1.25 -4.97 116.67 122.15 1vre s ASP 52 Ca 0.11 0.02 0.38 0.00 0.18 0.00 0.00 52.55 53.23 1vre s ASP 52 Cb 0.09 -1.70 1.76 0.00 1.07 0.00 0.00 42.92 44.14 1vre s ASP 52 CO 0.01 0.25 2.12 1.55 1.18 0.00 0.00 175.17 180.28 1vre h PRO 53 N 6.10 0.00 -0.03 8.23 0.13 -1.96 -2.34 132.00 142.12 1vre h PRO 53 Ca -0.40 0.00 0.01 0.00 -0.87 0.00 0.00 66.00 64.74 1vre h PRO 53 Cb 1.19 0.00 -0.00 0.00 0.13 0.00 0.00 31.00 32.31 1vre h PRO 53 CO 0.61 0.00 0.03 0.78 -0.23 0.00 0.00 178.00 179.19 1vre h GLY 54 N 1.28 0.00 1.07 1.56 0.00 -1.93 -0.90 103.07 104.15 1vre h GLY 54 Ca 0.00 0.00 0.07 0.00 0.00 0.00 0.00 47.33 47.40 1vre h GLY 54 CO 0.00 0.00 0.44 -2.08 0.00 0.00 0.00 176.54 174.90 1vre h VAL 55 N 0.00 0.98 0.00 4.60 2.07 -1.79 0.39 116.25 122.50 1vre h VAL 55 Ca 0.01 -0.21 0.00 0.00 0.82 0.00 0.00 66.70 67.32 1vre h VAL 55 Cb 0.07 0.31 0.00 0.00 -1.52 0.00 0.00 31.29 30.15 1vre h VAL 55 CO -0.00 0.11 0.00 0.00 0.02 0.00 0.00 177.57 177.70 1vre n ALA 56 N -2.47 2.51 -0.06 1.67 0.00 -0.34 -2.80 120.51 119.01 1vre n ALA 56 Ca 0.10 -0.16 -0.09 0.00 0.00 0.00 0.00 53.44 53.29 1vre n ALA 56 Cb 0.27 -1.48 -0.15 0.00 0.00 0.00 0.00 19.45 18.09 1vre n ALA 56 CO 0.00 0.00 0.00 -0.25 0.00 0.00 0.00 177.50 177.25 1vre n ASP 57 N -1.19 0.45 -0.04 0.00 9.92 0.13 -3.54 116.55 122.28 1vre n ASP 57 Ca 0.17 0.21 -0.02 0.00 -0.53 0.00 0.00 54.79 54.63 1vre n ASP 57 Cb 0.19 0.46 -0.01 0.00 -0.64 0.00 0.00 41.12 41.12 1vre n ASP 57 CO 0.00 0.00 0.00 -0.07 0.13 0.00 0.00 177.20 177.26 1vre h LEU 58 N 0.00 0.00 -2.02 0.64 3.38 -1.42 -3.26 115.31 112.62 1vre h LEU 58 Ca -0.41 0.00 0.14 0.00 0.09 0.00 0.00 57.88 57.70 1vre h LEU 58 Cb 2.13 0.00 -0.02 0.00 0.09 0.00 0.00 40.66 42.86 1vre h LEU 58 CO 0.05 0.42 0.38 1.23 0.09 0.00 0.00 178.44 180.62 1vre h GLY 59 N -0.64 0.00 0.85 0.83 0.00 -1.76 0.46 103.07 102.80 1vre h GLY 59 Ca 0.00 0.00 -0.01 0.00 0.00 0.00 0.00 47.33 47.32 1vre h GLY 59 CO 0.00 0.00 -0.13 0.00 0.00 0.00 0.00 176.54 176.41 1vre h ALA 60 N 1.69 -0.35 0.01 3.60 0.00 -1.70 -1.09 119.26 121.42 1vre h ALA 60 Ca 0.23 -0.13 -0.18 0.00 0.00 0.00 0.00 54.91 54.83 1vre h ALA 60 Cb 0.99 0.14 0.01 0.00 0.00 0.00 0.00 17.79 18.93 1vre h ALA 60 CO -0.00 -0.62 -0.70 0.87 0.00 0.00 0.00 179.25 178.80 1vre h LYS 61 N -0.51 0.45 -0.54 0.00 1.57 -1.33 -3.28 116.57 112.93 1vre h LYS 61 Ca -0.04 -0.50 0.11 0.00 -1.87 0.00 0.00 60.65 58.35 1vre h LYS 61 Cb 0.38 0.15 -0.10 0.00 0.08 0.00 0.00 32.23 32.74 1vre h LYS 61 CO 0.06 1.16 -0.06 0.28 -0.57 0.00 0.00 179.45 180.31 1vre h VAL 62 N -0.04 0.52 -0.79 0.50 2.07 -0.15 0.37 116.25 118.72 1vre h VAL 62 Ca -0.09 -0.02 0.19 0.00 0.82 0.00 0.00 66.70 67.59 1vre h VAL 62 Cb 1.41 0.45 -0.12 0.00 -1.52 0.00 0.00 31.29 31.51 1vre h VAL 62 CO 0.14 0.01 0.17 -0.07 0.02 0.00 0.00 177.57 177.83 1vre h LEU 63 N 0.06 -0.06 -0.53 2.57 -0.00 -1.25 0.28 115.31 116.38 1vre h LEU 63 Ca 0.27 0.17 0.11 0.00 -0.00 0.00 0.00 57.88 58.43 1vre h LEU 63 Cb 0.42 0.25 -0.10 0.00 -0.00 0.00 0.00 40.66 41.22 1vre h LEU 63 CO -0.50 -0.10 -0.18 0.00 -0.00 0.00 0.00 178.44 177.66 1vre h ALA 64 N 1.68 0.26 -0.54 1.53 0.00 -1.00 0.09 119.26 121.27 1vre h ALA 64 Ca 0.46 0.20 0.11 0.00 0.00 0.00 0.00 54.91 55.68 1vre h ALA 64 Cb 0.84 0.48 -0.10 0.00 0.00 0.00 0.00 17.79 19.02 1vre h ALA 64 CO -0.59 -0.49 -0.07 0.37 0.00 0.00 0.00 179.25 178.47 1vre h GLN 65 N -0.05 0.05 -0.75 0.00 5.75 -0.89 0.45 115.11 119.67 1vre h GLN 65 Ca 0.25 -0.00 0.10 0.00 -0.15 0.00 0.00 58.65 58.84 1vre h GLN 65 Cb 0.44 -0.01 -0.05 0.00 1.07 0.00 0.00 27.48 28.93 1vre h GLN 65 CO -0.57 0.03 0.49 0.82 -2.65 0.00 0.00 178.83 176.95 1vre h ILE 66 N 0.05 0.93 0.38 2.39 2.04 -0.89 0.14 117.51 122.55 1vre h ILE 66 Ca 0.27 -0.22 -0.02 0.00 1.00 0.00 0.00 64.86 65.89 1vre h ILE 66 Cb 0.42 0.23 0.00 0.00 -0.74 0.00 0.00 36.82 36.74 1vre h ILE 66 CO -0.51 0.12 -0.18 1.23 0.00 0.00 0.00 178.15 178.80 1vre h GLY 67 N 0.65 -0.53 1.94 5.37 0.00 0.69 0.32 103.07 111.51 1vre h GLY 67 Ca 0.34 0.20 0.01 0.00 0.00 0.00 0.00 47.33 47.88 1vre h GLY 67 CO -0.12 -0.19 0.03 -2.08 0.00 0.00 0.00 176.54 174.17 1vre h VAL 68 N -0.75 0.44 0.00 4.60 2.07 -0.56 -0.00 116.25 122.05 1vre h VAL 68 Ca -0.05 0.00 -0.14 0.00 0.82 0.00 0.00 66.70 67.33 1vre h VAL 68 Cb 0.51 0.98 -0.02 0.00 -1.52 0.00 0.00 31.29 31.24 1vre h VAL 68 CO 0.09 0.00 -1.04 0.00 0.02 0.00 0.00 177.57 176.64 1vre h ALA 69 N 1.97 0.65 0.00 1.67 0.00 -0.52 -3.27 119.26 119.75 1vre h ALA 69 Ca 0.01 -0.67 0.00 0.00 0.00 0.00 0.00 54.91 54.24 1vre h ALA 69 Cb 0.06 0.12 0.00 0.00 0.00 0.00 0.00 17.79 17.97 1vre h ALA 69 CO -0.00 0.79 0.00 0.28 0.00 0.00 0.00 179.25 180.32 1vre h VAL 70 N 0.00 0.00 -0.31 0.00 2.07 0.16 -2.78 116.25 115.40 1vre h VAL 70 Ca -0.09 -0.57 0.00 0.00 0.82 0.00 0.00 66.70 66.85 1vre h VAL 70 Cb 1.50 1.52 0.00 0.00 -1.52 0.00 0.00 31.29 32.79 1vre h VAL 70 CO 0.05 0.00 0.00 -1.20 0.02 0.00 0.00 177.57 176.44 1vre n SER 71 N -2.84 2.60 -2.70 0.57 7.64 -1.05 -4.10 113.62 113.74 1vre n SER 71 Ca 0.02 -2.23 -0.05 0.00 1.01 0.00 0.00 58.87 57.62 1vre n SER 71 Cb 0.36 -0.42 0.11 0.00 -1.01 0.00 0.00 64.21 63.24 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 0.40 -1.60 0.07 1.43 8.25 -1.05 -4.94 115.22 117.79 1vre n HIS 72 Ca 0.12 -1.97 -0.03 0.00 -0.26 0.00 0.00 57.72 55.59 1vre n HIS 72 Cb 0.51 1.21 -0.07 0.00 1.12 0.00 0.00 29.99 32.76 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 1.81 0.00 0.00 2.41 3.38 -1.71 -3.25 115.31 117.95 1vre h LEU 73 Ca -0.31 0.00 -0.08 0.00 0.09 0.00 0.00 57.88 57.59 1vre h LEU 73 Cb 1.28 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 42.02 1vre h LEU 73 CO -0.03 0.78 -0.40 1.23 0.09 0.00 0.00 178.44 180.11 1vre h GLY 74 N 3.33 0.00 -6.59 0.83 0.00 -1.92 -3.43 103.07 95.30 1vre h GLY 74 Ca -0.07 0.00 -0.57 0.00 0.00 0.00 0.00 47.33 46.69 1vre h GLY 74 CO 0.09 0.00 -0.82 0.99 0.00 0.00 0.00 176.54 176.80 1vre s ASP 75 N -6.35 2.59 -0.54 0.19 1.11 -1.23 -5.01 116.67 107.44 1vre s ASP 75 Ca 0.05 -0.48 0.01 0.00 0.18 0.00 0.00 52.55 52.31 1vre s ASP 75 Cb 0.07 -1.04 0.46 0.00 1.07 0.00 0.00 42.92 43.48 1vre s ASP 75 CO 0.73 -0.10 1.77 -1.84 1.18 0.00 0.00 175.17 176.91 1vre n GLU 76 N 4.83 2.96 0.10 8.23 0.28 -1.26 -4.41 120.64 131.37 1vre n GLU 76 Ca -0.15 -3.56 0.08 0.00 -0.16 0.00 0.00 57.16 53.38 1vre n GLU 76 Cb 0.49 -2.28 -0.00 0.00 1.43 0.00 0.00 31.44 31.09 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 2.03 0.00 0.00 -1.84 0.00 -1.95 -3.40 103.07 97.92 1vre h GLY 77 Ca 0.53 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.86 1vre h GLY 77 CO 1.32 0.00 -0.44 1.17 0.00 0.00 0.00 176.54 178.58 1vre n LYS 78 N -2.81 0.36 -0.15 4.80 4.81 -1.26 -4.63 118.16 119.28 1vre n LYS 78 Ca -0.02 0.00 -0.06 0.00 -0.87 0.00 0.00 58.31 57.37 1vre n LYS 78 Cb 0.63 -0.72 0.01 0.00 0.02 0.00 0.00 35.03 34.96 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 -0.17 0.00 1.64 4.05 -1.81 0.94 114.93 119.58 1vre h MET 79 Ca 0.00 0.01 0.00 0.00 -0.28 0.00 0.00 59.70 59.43 1vre h MET 79 Cb 0.44 0.04 0.00 0.00 -0.80 0.00 0.00 31.60 31.28 1vre h MET 79 CO 0.00 -0.11 0.00 0.28 0.23 0.00 0.00 176.91 177.31 1vre h VAL 80 N -0.17 0.00 -0.24 -5.77 2.07 -1.88 -2.26 116.25 107.99 1vre h VAL 80 Ca 0.21 -0.32 -0.14 0.00 0.82 0.00 0.00 66.70 67.27 1vre h VAL 80 Cb 0.51 1.27 -0.01 0.00 -1.52 0.00 0.00 31.29 31.54 1vre h VAL 80 CO -0.58 0.00 -0.43 0.00 0.02 0.00 0.00 177.57 176.59 1vre h ALA 81 N 2.03 0.80 0.00 1.67 0.00 0.62 -1.69 119.26 122.69 1vre h ALA 81 Ca 0.00 -0.45 -0.04 0.00 0.00 0.00 0.00 54.91 54.41 1vre h ALA 81 Cb 0.33 -0.11 -0.00 0.00 0.00 0.00 0.00 17.79 18.01 1vre h ALA 81 CO 0.00 0.66 -0.23 1.49 0.00 0.00 0.00 179.25 181.17 1vre h GLU 82 N 0.49 0.01 -0.63 0.00 4.57 -0.81 -3.28 114.58 114.93 1vre h GLU 82 Ca 0.04 -0.02 0.11 0.00 -1.18 0.00 0.00 59.36 58.31 1vre h GLU 82 Cb 0.94 0.01 -0.08 0.00 -0.16 0.00 0.00 28.75 29.46 1vre h GLU 82 CO 0.08 1.01 0.22 0.52 -1.18 0.00 0.00 179.01 179.66 1vre h MET 83 N -0.98 0.37 -0.97 1.92 2.86 -1.49 0.19 114.93 116.84 1vre h MET 83 Ca -0.06 -0.02 0.20 0.00 -2.06 0.00 0.00 59.70 57.76 1vre h MET 83 Cb 1.07 -0.08 -0.09 0.00 0.06 0.00 0.00 31.60 32.56 1vre h MET 83 CO -0.03 0.25 0.62 -0.22 1.06 0.00 0.00 176.91 178.58 1vre h LYS 84 N 0.39 0.57 -0.36 1.72 3.64 -1.42 0.52 116.57 121.63 1vre h LYS 84 Ca 0.33 -0.03 -0.07 0.00 -1.27 0.00 0.00 60.65 59.60 1vre h LYS 84 Cb 0.44 -0.13 -0.02 0.00 -0.41 0.00 0.00 32.23 32.11 1vre h LYS 84 CO -0.34 0.38 -0.07 0.00 -2.27 0.00 0.00 179.45 177.14 1vre h ALA 85 N 1.62 1.20 0.28 5.00 0.00 -0.69 -2.32 119.26 124.35 1vre h ALA 85 Ca 0.53 -0.26 -0.01 0.00 0.00 0.00 0.00 54.91 55.17 1vre h ALA 85 Cb 1.07 -0.15 0.00 0.00 0.00 0.00 0.00 17.79 18.70 1vre h ALA 85 CO -0.28 0.52 -0.13 0.28 0.00 0.00 0.00 179.25 179.63 1vre h VAL 86 N 0.56 0.76 -0.86 0.00 2.07 0.43 -2.58 116.25 116.63 1vre h VAL 86 Ca 0.11 -0.23 0.13 0.00 0.82 0.00 0.00 66.70 67.53 1vre h VAL 86 Cb 0.47 0.89 -0.09 0.00 -1.52 0.00 0.00 31.29 31.04 1vre h VAL 86 CO 0.02 0.05 0.47 1.23 0.02 0.00 0.00 177.57 179.36 1vre h GLY 87 N -0.49 1.39 0.68 2.17 0.00 -1.26 0.48 103.07 106.05 1vre h GLY 87 Ca -0.04 -0.29 0.17 0.00 0.00 0.00 0.00 47.33 47.17 1vre h GLY 87 CO 0.06 0.02 0.50 -2.08 0.00 0.00 0.00 176.54 175.04 1vre h VAL 88 N 0.70 0.50 0.01 4.60 2.07 -0.68 -0.82 116.25 122.62 1vre h VAL 88 Ca 0.45 0.00 -0.00 0.00 0.82 0.00 0.00 66.70 67.97 1vre h VAL 88 Cb 0.58 0.63 0.00 0.00 -1.52 0.00 0.00 31.29 30.98 1vre h VAL 88 CO -0.33 0.00 -0.00 0.03 0.02 0.00 0.00 177.57 177.29 1vre h ARG 89 N 0.00 -0.01 -0.14 1.57 2.47 0.14 -3.19 114.38 115.22 1vre h ARG 89 Ca 0.28 0.00 0.04 0.00 -1.26 0.00 0.00 59.98 59.04 1vre h ARG 89 Cb 1.27 0.00 -0.01 0.00 -1.65 0.00 0.00 29.97 29.58 1vre h ARG 89 CO -0.00 0.83 0.33 0.45 0.56 0.00 0.00 179.97 182.13 1vre h HIS 90 N -0.96 0.00 0.00 3.04 3.86 -0.76 0.30 115.15 120.62 1vre h HIS 90 Ca -0.00 0.00 0.00 0.00 -1.16 0.00 0.00 60.37 59.21 1vre h HIS 90 Cb 0.84 0.00 0.00 0.00 1.06 0.00 0.00 27.41 29.31 1vre h HIS 90 CO 0.23 0.00 0.00 1.17 0.86 0.00 0.00 177.93 180.19 1vre n LYS 91 N -3.25 0.05 -2.88 2.45 4.81 -0.47 -3.27 118.16 115.61 1vre n LYS 91 Ca 0.01 0.42 -0.12 0.00 -0.87 0.00 0.00 58.31 57.75 1vre n LYS 91 Cb 0.43 -1.62 0.03 0.00 0.02 0.00 0.00 35.03 33.89 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 -0.72 2.09 0.06 3.14 0.00 0.10 -4.83 105.19 105.04 1vre n GLY 92 Ca 0.01 -1.02 -0.00 0.00 0.00 0.00 0.00 46.02 45.01 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 0.07 -3.47 0.06 1.61 4.02 -1.20 -4.96 117.16 113.28 1vre n TYR 93 Ca 0.13 -0.03 -0.12 0.00 -0.01 0.00 0.00 57.90 57.87 1vre n TYR 93 Cb 0.74 -0.01 -0.08 0.00 -0.02 0.00 0.00 39.34 39.97 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 -0.01 -0.21 1.99 2.72 0.00 -1.94 -3.15 103.07 102.47 1vre h GLY 94 Ca -0.01 0.08 -0.02 0.00 0.00 0.00 0.00 47.33 47.38 1vre h GLY 94 CO 0.01 -0.08 -0.10 3.45 0.00 0.00 0.00 176.54 179.82 1vre h ASN 95 N -0.76 0.01 -4.48 0.19 -1.07 -1.88 -3.46 115.58 104.14 1vre h ASN 95 Ca -0.02 -0.00 -0.40 0.00 0.07 0.00 0.00 56.30 55.95 1vre h ASN 95 Cb 0.53 -0.00 0.07 0.00 -2.07 0.00 0.00 38.32 36.84 1vre h ASN 95 CO 0.03 0.11 -0.60 0.29 0.07 0.00 0.00 177.43 177.33 1vre n LYS 96 N -4.42 -5.07 0.00 4.14 5.02 -1.19 -4.86 118.16 111.77 1vre n LYS 96 Ca -0.03 0.88 0.00 0.00 -2.02 0.00 0.00 58.31 57.15 1vre n LYS 96 Cb 0.18 -5.71 0.00 0.00 -0.02 0.00 0.00 35.03 29.47 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 -4.54 0.00 -1.57 2.13 8.25 -1.26 -4.99 115.22 113.23 1vre n HIS 97 Ca -0.10 0.00 0.06 0.00 -0.26 0.00 0.00 57.72 57.42 1vre n HIS 97 Cb 0.61 0.00 -0.03 0.00 1.12 0.00 0.00 29.99 31.69 1vre n HIS 97 CO 0.00 0.00 0.00 -0.89 0.64 0.00 0.00 176.34 176.09 1vre n ILE 98 N -0.60 -2.35 -3.70 1.59 5.41 -1.26 -5.02 119.36 113.43 1vre n ILE 98 Ca 0.00 1.34 -0.12 0.00 1.00 0.00 0.00 62.75 64.97 1vre n ILE 98 Cb 0.00 -2.17 -0.10 0.00 -0.71 0.00 0.00 39.64 36.66 1vre n ILE 98 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 176.55 176.01 1vre s LYS 99 N -5.11 0.49 0.00 0.38 3.01 -1.26 -5.01 119.74 112.24 1vre s LYS 99 Ca 0.00 0.74 0.19 0.00 -1.01 0.00 0.00 55.97 55.90 1vre s LYS 99 Cb 0.00 0.13 0.96 0.00 -1.01 0.00 0.00 37.83 37.91 1vre s LYS 99 CO 0.00 -0.11 1.61 0.00 0.51 0.00 0.00 175.35 177.36 1vre n ALA 100 N 3.54 2.01 0.18 5.17 0.00 -1.26 -2.45 120.51 127.70 1vre n ALA 100 Ca -0.18 -0.09 0.07 0.00 0.00 0.00 0.00 53.44 53.24 1vre n ALA 100 Cb 0.56 -1.32 0.22 0.00 0.00 0.00 0.00 19.45 18.92 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 0.00 0.00 0.00 0.00 4.39 -2.01 -3.13 114.58 113.83 1vre h GLU 101 Ca 0.00 0.00 -0.17 0.00 0.34 0.00 0.00 59.36 59.53 1vre h GLU 101 Cb 0.20 0.00 -0.03 0.00 -0.10 0.00 0.00 28.75 28.83 1vre h GLU 101 CO 0.00 0.33 -1.13 1.88 -1.16 0.00 0.00 179.01 178.93 1vre h TYR 102 N 0.00 0.00 0.04 4.33 -1.99 -1.91 -3.35 116.97 114.08 1vre h TYR 102 Ca -0.00 0.00 0.02 0.00 2.00 0.00 0.00 58.73 60.75 1vre h TYR 102 Cb 1.07 0.00 -0.05 0.00 2.00 0.00 0.00 36.73 39.75 1vre h TYR 102 CO 0.00 0.65 -0.49 0.74 -0.00 0.00 0.00 178.16 179.06 1vre h PHE 103 N 0.00 -1.43 0.42 4.88 -1.00 -1.62 0.26 116.94 118.44 1vre h PHE 103 Ca -0.11 0.04 -0.01 0.00 2.81 0.00 0.00 57.97 60.70 1vre h PHE 103 Cb 1.60 0.62 -0.03 0.00 3.61 0.00 0.00 35.95 41.75 1vre h PHE 103 CO 0.00 -0.56 -0.47 0.93 -1.61 0.00 0.00 178.31 176.60 1vre h GLU 104 N -0.67 -0.88 -0.37 1.51 4.39 -1.73 -1.13 114.58 115.69 1vre h GLU 104 Ca 0.02 0.06 0.07 0.00 0.34 0.00 0.00 59.36 59.85 1vre h GLU 104 Cb 0.72 0.20 -0.09 0.00 -0.10 0.00 0.00 28.75 29.48 1vre h GLU 104 CO -0.32 -0.59 -0.38 -1.35 -1.16 0.00 0.00 179.01 175.21 1vre h PRO 105 N -0.91 -0.30 -0.06 2.33 0.11 -1.64 0.80 132.00 132.33 1vre h PRO 105 Ca -0.04 0.02 0.02 0.00 0.11 0.00 0.00 66.00 66.10 1vre h PRO 105 Cb 0.82 0.07 -0.00 0.00 0.11 0.00 0.00 31.00 31.99 1vre h PRO 105 CO -0.10 -0.20 0.21 1.25 -0.21 0.00 0.00 178.00 178.96 1vre h LEU 106 N -0.31 0.00 -0.00 2.35 7.12 -0.23 -1.33 115.31 122.91 1vre h LEU 106 Ca 0.15 0.00 -0.04 0.00 0.13 0.00 0.00 57.88 58.11 1vre h LEU 106 Cb 0.57 0.00 0.00 0.00 -0.53 0.00 0.00 40.66 40.70 1vre h LEU 106 CO -0.54 0.00 -0.17 1.23 -0.13 0.00 0.00 178.44 178.83 1vre h GLY 107 N 0.00 0.14 0.96 3.75 0.00 0.19 -2.87 103.07 105.23 1vre h GLY 107 Ca 0.03 -0.23 0.01 0.00 0.00 0.00 0.00 47.33 47.13 1vre h GLY 107 CO -0.00 0.21 0.17 0.00 0.00 0.00 0.00 176.54 176.91 1vre h ALA 108 N 0.25 0.34 0.00 3.60 0.00 -0.46 -1.15 119.26 121.85 1vre h ALA 108 Ca -0.02 -0.01 -0.00 0.00 0.00 0.00 0.00 54.91 54.88 1vre h ALA 108 Cb 0.93 -0.09 -0.00 0.00 0.00 0.00 0.00 17.79 18.63 1vre h ALA 108 CO 0.03 -0.21 -0.00 1.03 0.00 0.00 0.00 179.25 180.10 1vre h SER 109 N 0.34 0.00 -0.38 0.00 0.87 -1.54 -1.73 113.55 111.11 1vre h SER 109 Ca 0.10 0.00 -0.14 0.00 -1.23 0.00 0.00 61.79 60.52 1vre h SER 109 Cb -0.02 0.00 -0.01 0.00 -0.44 0.00 0.00 62.40 61.94 1vre h SER 109 CO -0.04 0.00 -0.32 0.25 -0.53 0.00 0.00 176.83 176.19 1vre h LEU 110 N 0.00 0.95 -1.72 2.23 6.46 -0.97 -2.88 115.31 119.37 1vre h LEU 110 Ca -0.00 -0.45 0.03 0.00 -0.12 0.00 0.00 57.88 57.33 1vre h LEU 110 Cb 0.00 -0.26 -0.02 0.00 -0.73 0.00 0.00 40.66 39.65 1vre h LEU 110 CO 0.00 1.20 0.23 -0.07 -0.62 0.00 0.00 178.44 179.18 1vre h LEU 111 N 0.70 0.31 -1.33 2.25 3.38 -1.10 -0.33 115.31 119.19 1vre h LEU 111 Ca 0.07 -0.00 -0.07 0.00 0.09 0.00 0.00 57.88 57.96 1vre h LEU 111 Cb 0.91 -0.07 -0.01 0.00 0.09 0.00 0.00 40.66 41.58 1vre h LEU 111 CO 0.08 0.22 -0.33 0.77 0.09 0.00 0.00 178.44 179.27 1vre h SER 112 N 0.37 0.00 0.29 -0.43 4.64 -1.48 -3.02 113.55 113.91 1vre h SER 112 Ca 0.14 0.00 -0.34 0.00 -0.47 0.00 0.00 61.79 61.12 1vre h SER 112 Cb 0.10 0.00 0.01 0.00 -0.31 0.00 0.00 62.40 62.20 1vre h SER 112 CO -0.03 0.33 -1.60 0.00 -0.87 0.00 0.00 176.83 174.66 1vre h ALA 113 N 1.67 0.08 -0.73 5.18 0.00 -1.08 -3.34 119.26 121.04 1vre h ALA 113 Ca -0.00 -1.04 0.16 0.00 0.00 0.00 0.00 54.91 54.03 1vre h ALA 113 Cb 0.60 0.32 -0.12 0.00 0.00 0.00 0.00 17.79 18.59 1vre h ALA 113 CO 0.04 0.95 0.11 0.52 0.00 0.00 0.00 179.25 180.87 1vre h MET 114 N 0.11 0.19 -0.72 0.00 2.07 -1.13 0.47 114.93 115.93 1vre h MET 114 Ca -0.29 -0.01 0.21 0.00 -2.07 0.00 0.00 59.70 57.54 1vre h MET 114 Cb 2.10 -0.04 -0.03 0.00 -1.87 0.00 0.00 31.60 31.76 1vre h MET 114 CO 0.21 0.13 0.76 1.49 1.07 0.00 0.00 176.91 180.56 1vre h GLU 115 N 0.20 0.00 -0.58 1.72 4.22 -1.67 0.40 114.58 118.87 1vre h GLU 115 Ca 0.41 0.00 0.08 0.00 0.08 0.00 0.00 59.36 59.93 1vre h GLU 115 Cb 0.70 0.00 -0.07 0.00 0.50 0.00 0.00 28.75 29.89 1vre h GLU 115 CO -0.55 0.00 0.23 0.45 -2.18 0.00 0.00 179.01 176.96 1vre h HIS 116 N 0.00 0.40 0.09 0.92 3.86 -0.24 1.39 115.15 121.57 1vre h HIS 116 Ca 0.34 0.03 -0.00 0.00 -1.16 0.00 0.00 60.37 59.57 1vre h HIS 116 Cb 1.86 -0.09 0.00 0.00 1.06 0.00 0.00 27.41 30.23 1vre h HIS 116 CO 0.00 0.13 -0.04 -0.09 0.86 0.00 0.00 177.93 178.78 1vre h ARG 117 N 0.42 -0.12 -1.97 2.45 2.43 -1.07 -3.37 114.38 113.15 1vre h ARG 117 Ca 0.28 0.01 -0.73 0.00 -0.81 0.00 0.00 59.98 58.73 1vre h ARG 117 Cb 0.32 0.03 -0.31 0.00 -0.42 0.00 0.00 29.97 29.59 1vre h ARG 117 CO -0.27 -0.08 0.65 0.44 -1.51 0.00 0.00 179.97 179.20 1vre n ILE 118 N -4.76 3.81 0.32 1.20 -5.35 -1.16 -4.71 119.36 108.71 1vre n ILE 118 Ca -0.01 -4.79 0.21 0.00 -0.27 0.00 0.00 62.75 57.88 1vre n ILE 118 Cb 0.05 -1.31 1.04 0.00 -1.74 0.00 0.00 39.64 37.68 1vre n ILE 118 CO 0.00 0.00 0.00 1.23 -1.76 0.00 0.00 176.55 176.02 1vre h GLY 119 N 3.14 0.00 0.82 3.28 0.00 0.17 0.95 103.07 111.44 1vre h GLY 119 Ca 0.49 0.00 -0.13 0.00 0.00 0.00 0.00 47.33 47.69 1vre h GLY 119 CO 1.25 0.00 -1.45 0.61 0.00 0.00 0.00 176.54 176.95 1vre n GLY 120 N -0.70 -1.22 0.02 4.60 0.00 -1.26 -4.16 105.19 102.47 1vre n GLY 120 Ca -0.02 -0.20 0.08 0.00 0.00 0.00 0.00 46.02 45.89 1vre n GLY 120 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 1vre n LYS 121 N -2.77 0.66 -1.60 1.61 5.02 -0.61 -4.84 118.16 115.63 1vre n LYS 121 Ca -0.09 -0.18 -0.33 0.00 -2.02 0.00 0.00 58.31 55.70 1vre n LYS 121 Cb 0.78 -1.52 -0.04 0.00 -0.02 0.00 0.00 35.03 34.23 1vre n LYS 121 CO 0.00 0.00 0.00 1.41 -0.52 0.00 0.00 177.40 178.29 1vre s MET 122 N -3.39 2.06 0.29 1.97 1.75 0.32 -4.92 119.30 117.38 1vre s MET 122 Ca -0.08 1.19 0.02 0.00 -1.25 0.00 0.00 55.69 55.57 1vre s MET 122 Cb 0.13 -4.61 0.05 0.00 2.84 0.00 0.00 34.83 33.24 1vre s MET 122 CO 0.90 -3.43 0.40 0.27 -0.65 0.00 0.00 175.02 172.51 1vre n ASN 123 N 16.13 0.79 -0.06 1.11 6.94 -1.26 -4.92 115.26 133.98 1vre n ASN 123 Ca 0.37 -1.61 -0.08 0.00 -0.02 0.00 0.00 54.58 53.24 1vre n ASN 123 Cb 0.53 -0.24 0.09 0.00 -2.36 0.00 0.00 39.78 37.79 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 -0.08 0.84 0.00 -2.53 0.00 -1.99 -2.51 119.26 112.98 1vre h ALA 124 Ca -0.14 -0.40 -0.07 0.00 0.00 0.00 0.00 54.91 54.30 1vre h ALA 124 Cb 0.56 -0.13 -0.01 0.00 0.00 0.00 0.00 17.79 18.20 1vre h ALA 124 CO 0.17 0.64 -0.33 0.00 0.00 0.00 0.00 179.25 179.72 1vre h ALA 125 N 1.05 1.17 -0.12 0.00 0.00 -1.97 0.54 119.26 119.94 1vre h ALA 125 Ca 0.07 -0.30 -0.09 0.00 0.00 0.00 0.00 54.91 54.59 1vre h ALA 125 Cb 0.81 -0.05 0.00 0.00 0.00 0.00 0.00 17.79 18.55 1vre h ALA 125 CO 0.07 0.42 -0.28 0.00 0.00 0.00 0.00 179.25 179.45 1vre h ALA 126 N 1.67 0.19 0.00 0.00 0.00 -1.80 0.65 119.26 119.96 1vre h ALA 126 Ca -0.00 -0.41 -0.12 0.00 0.00 0.00 0.00 54.91 54.38 1vre h ALA 126 Cb 0.72 -0.03 -0.02 0.00 0.00 0.00 0.00 17.79 18.47 1vre h ALA 126 CO 0.04 0.20 -0.58 1.57 0.00 0.00 0.00 179.25 180.49 1vre h LYS 127 N -0.03 0.00 0.15 0.00 2.10 -1.32 -1.61 116.57 115.87 1vre h LYS 127 Ca -0.00 0.00 -0.30 0.00 -2.00 0.00 0.00 60.65 58.34 1vre h LYS 127 Cb 0.89 0.00 0.01 0.00 -0.90 0.00 0.00 32.23 32.23 1vre h LYS 127 CO 0.06 0.58 -1.43 0.22 -2.00 0.00 0.00 179.45 176.88 1vre h ASP 128 N 0.00 0.51 -0.12 7.07 1.82 -0.84 -1.77 116.42 123.09 1vre h ASP 128 Ca -0.01 -0.61 -0.04 0.00 -0.39 0.00 0.00 57.03 55.99 1vre h ASP 128 Cb 1.17 -0.17 -0.00 0.00 0.68 0.00 0.00 39.33 41.01 1vre h ASP 128 CO 0.07 1.49 -0.07 0.00 -1.61 0.00 0.00 179.24 179.12 1vre h ALA 129 N 0.43 0.17 0.00 -0.78 0.00 0.35 -1.87 119.26 117.56 1vre h ALA 129 Ca -0.21 -0.27 -0.06 0.00 0.00 0.00 0.00 54.91 54.37 1vre h ALA 129 Cb 2.04 -0.04 -0.01 0.00 0.00 0.00 0.00 17.79 19.78 1vre h ALA 129 CO 0.20 -0.03 -0.29 -1.49 0.00 0.00 0.00 179.25 177.64 1vre h TRP 130 N -0.10 0.00 -0.18 0.00 4.06 -1.41 -1.48 115.95 116.84 1vre h TRP 130 Ca 0.03 0.00 -0.13 0.00 2.06 0.00 0.00 58.89 60.84 1vre h TRP 130 Cb 0.55 0.00 -0.01 0.00 -1.00 0.00 0.00 29.16 28.70 1vre h TRP 130 CO 0.07 0.29 -0.45 0.00 -3.56 0.00 0.00 178.44 174.79 1vre h ALA 131 N 1.71 0.88 0.00 1.49 0.00 -1.08 0.14 119.26 122.40 1vre h ALA 131 Ca -0.00 -0.46 -0.20 0.00 0.00 0.00 0.00 54.91 54.25 1vre h ALA 131 Cb 0.73 -0.10 -0.03 0.00 0.00 0.00 0.00 17.79 18.39 1vre h ALA 131 CO 0.04 0.65 -1.02 0.00 0.00 0.00 0.00 179.25 178.92 1vre h ALA 132 N 1.14 0.49 0.04 0.00 0.00 -0.98 -3.29 119.26 116.66 1vre h ALA 132 Ca 0.03 -0.89 -0.07 0.00 0.00 0.00 0.00 54.91 53.97 1vre h ALA 132 Cb 0.94 -0.03 0.01 0.00 0.00 0.00 0.00 17.79 18.71 1vre h ALA 132 CO 0.08 1.15 -0.30 0.00 0.00 0.00 0.00 179.25 180.18 1vre h ALA 133 N 1.12 -0.02 -0.96 0.00 0.00 -1.13 -3.19 119.26 115.09 1vre h ALA 133 Ca -0.05 -0.54 0.28 0.00 0.00 0.00 0.00 54.91 54.59 1vre h ALA 133 Cb 1.72 0.03 -0.04 0.00 0.00 0.00 0.00 17.79 19.50 1vre h ALA 133 CO 0.11 0.13 0.74 1.88 0.00 0.00 0.00 179.25 182.10 1vre h TYR 134 N -0.67 0.00 -0.03 0.00 -1.99 -0.85 0.78 116.97 114.22 1vre h TYR 134 Ca -0.05 0.00 -0.21 0.00 2.00 0.00 0.00 58.73 60.48 1vre h TYR 134 Cb 1.17 0.00 -0.00 0.00 2.00 0.00 0.00 36.73 39.90 1vre h TYR 134 CO 0.22 0.00 -0.86 0.00 -0.00 0.00 0.00 178.16 177.53 1vre h ALA 135 N 1.43 0.47 0.17 3.88 0.00 -1.62 -2.05 119.26 121.54 1vre h ALA 135 Ca 0.46 -0.67 -0.30 0.00 0.00 0.00 0.00 54.91 54.40 1vre h ALA 135 Cb 1.93 -0.04 0.01 0.00 0.00 0.00 0.00 17.79 19.69 1vre h ALA 135 CO -0.00 0.81 -1.34 -0.44 0.00 0.00 0.00 179.25 178.28 1vre h ASP 136 N 0.23 0.55 0.55 0.00 5.19 0.36 -1.87 116.42 121.43 1vre h ASP 136 Ca -0.06 -0.60 -0.03 0.00 -0.62 0.00 0.00 57.03 55.73 1vre h ASP 136 Cb 1.47 -0.18 0.01 0.00 0.18 0.00 0.00 39.33 40.80 1vre h ASP 136 CO 0.14 1.47 -0.26 0.40 -3.12 0.00 0.00 179.24 177.87 1vre h ILE 137 N 0.10 0.24 0.00 0.35 2.04 -0.43 -0.80 117.51 119.00 1vre h ILE 137 Ca -0.18 -0.42 -0.02 0.00 1.00 0.00 0.00 64.86 65.24 1vre h ILE 137 Cb 2.04 0.34 -0.00 0.00 -0.74 0.00 0.00 36.82 38.45 1vre h ILE 137 CO 0.22 0.04 -0.09 0.77 0.00 0.00 0.00 178.15 179.09 1vre h SER 138 N -1.07 0.00 -0.10 1.72 4.64 -1.51 -2.32 113.55 114.90 1vre h SER 138 Ca -0.08 0.00 -0.22 0.00 -0.47 0.00 0.00 61.79 61.03 1vre h SER 138 Cb 0.63 0.00 0.01 0.00 -0.31 0.00 0.00 62.40 62.73 1vre h SER 138 CO 0.12 0.09 -0.77 1.23 -0.87 0.00 0.00 176.83 176.63 1vre h GLY 139 N 0.86 0.83 1.89 -0.77 0.00 -1.16 -3.05 103.07 101.67 1vre h GLY 139 Ca -0.00 -1.17 -0.01 0.00 0.00 0.00 0.00 47.33 46.15 1vre h GLY 139 CO 0.01 1.04 0.01 0.00 0.00 0.00 0.00 176.54 177.60 1vre h ALA 140 N 0.60 1.83 0.00 3.60 0.00 -0.57 0.45 119.26 125.18 1vre h ALA 140 Ca -0.05 -0.06 0.00 0.00 0.00 0.00 0.00 54.91 54.80 1vre h ALA 140 Cb 1.40 -0.05 0.00 0.00 0.00 0.00 0.00 17.79 19.14 1vre h ALA 140 CO 0.16 0.14 0.00 -0.11 0.00 0.00 0.00 179.25 179.44 1vre n LEU 141 N -4.46 0.00 -0.94 0.00 0.00 -1.15 -2.70 117.00 107.76 1vre n LEU 141 Ca -0.01 0.33 0.04 0.00 0.00 0.00 0.00 56.01 56.36 1vre n LEU 141 Cb 0.13 -0.33 0.17 0.00 0.00 0.00 0.00 43.42 43.39 1vre n LEU 141 CO 0.35 -0.11 0.56 -0.38 0.00 0.00 0.00 177.39 177.81 1vre n ILE 142 N -1.33 0.94 -0.09 1.96 2.08 0.15 -3.45 119.36 119.63 1vre n ILE 142 Ca 0.09 -0.55 -0.22 0.00 0.56 0.00 0.00 62.75 62.63 1vre n ILE 142 Cb 0.17 -0.19 -0.12 0.00 -0.75 0.00 0.00 39.64 38.75 1vre n ILE 142 CO 0.00 0.00 0.00 -0.24 0.56 0.00 0.00 176.55 176.87 1vre n SER 143 N 0.33 2.00 -1.04 4.38 2.88 -1.10 -4.40 113.62 116.68 1vre n SER 143 Ca 0.12 0.12 0.08 0.00 -1.33 0.00 0.00 58.87 57.85 1vre n SER 143 Cb 0.53 -0.69 0.26 0.00 -0.75 0.00 0.00 64.21 63.57 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 1.90 3.34 1.22 0.46 0.00 -1.25 -4.38 105.19 106.47 1vre n GLY 144 Ca -0.42 -0.81 0.08 0.00 0.00 0.00 0.00 46.02 44.88 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 0.21 4.26 -3.72 0.99 7.94 -1.22 -1.45 117.00 124.01 1vre n LEU 145 Ca 0.20 -2.62 -0.41 0.00 -1.11 0.00 0.00 56.01 52.07 1vre n LEU 145 Cb 0.79 -0.52 0.02 0.00 0.53 0.00 0.00 43.42 44.24 1vre n LEU 145 CO 0.16 0.73 1.45 0.00 -1.11 0.00 0.00 177.39 178.62 1vre n GLN 146 N 0.40 5.14 0.00 1.96 3.00 -1.26 -4.75 117.38 121.87 1vre n GLN 146 Ca 0.22 -4.54 0.00 0.00 -0.01 0.00 0.00 57.00 52.67 1vre n GLN 146 Cb 0.85 -2.50 0.00 0.00 0.00 0.00 0.00 30.24 28.59 1vre n GLN 146 CO 0.00 0.00 0.00 -1.13 0.00 0.00 0.00 177.06 175.93