#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1vre n LEU 2 N 0.00 -0.52 0.00 0.99 4.77 -1.26 -5.04 117.00 115.93 1vre n LEU 2 Ca 0.00 -0.02 -0.00 0.00 -0.03 0.00 0.00 56.01 55.96 1vre n LEU 2 Cb 0.00 -1.26 -0.00 0.00 -2.33 0.00 0.00 43.42 39.82 1vre n LEU 2 CO 0.00 -3.06 -0.00 -1.54 -1.33 0.00 0.00 177.39 171.46 1vre n SER 3 N -4.23 1.69 0.10 -1.43 3.41 -1.26 -4.95 113.62 106.94 1vre n SER 3 Ca 0.05 -1.04 -0.02 0.00 -0.26 0.00 0.00 58.87 57.60 1vre n SER 3 Cb 0.55 0.01 -0.03 0.00 -0.26 0.00 0.00 64.21 64.48 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 1.01 0.53 0.01 7.33 0.00 -1.97 -2.37 119.26 123.80 1vre h ALA 4 Ca -0.01 -0.69 -0.26 0.00 0.00 0.00 0.00 54.91 53.96 1vre h ALA 4 Cb 0.02 -0.12 -0.04 0.00 0.00 0.00 0.00 17.79 17.65 1vre h ALA 4 CO 0.01 0.95 -1.38 0.00 0.00 0.00 0.00 179.25 178.83 1vre h ALA 5 N 1.24 0.55 0.02 0.00 0.00 -2.00 -3.28 119.26 115.79 1vre h ALA 5 Ca -0.01 -1.19 -0.00 0.00 0.00 0.00 0.00 54.91 53.71 1vre h ALA 5 Cb 1.55 0.18 0.00 0.00 0.00 0.00 0.00 17.79 19.52 1vre h ALA 5 CO 0.10 1.41 -0.01 1.96 0.00 0.00 0.00 179.25 182.71 1vre h GLN 6 N 0.00 -0.03 -0.84 0.00 4.20 -1.96 -3.03 115.11 113.45 1vre h GLN 6 Ca -0.16 0.00 0.24 0.00 0.06 0.00 0.00 58.65 58.80 1vre h GLN 6 Cb 1.90 0.01 -0.03 0.00 0.30 0.00 0.00 27.48 29.66 1vre h GLN 6 CO 0.11 0.69 0.64 0.07 -0.67 0.00 0.00 178.83 179.66 1vre h ARG 7 N -0.94 0.00 -0.16 1.46 -0.00 -1.59 0.29 114.38 113.44 1vre h ARG 7 Ca -0.00 0.00 -0.08 0.00 -0.00 0.00 0.00 59.98 59.89 1vre h ARG 7 Cb 0.73 0.00 -0.00 0.00 -0.00 0.00 0.00 29.97 30.70 1vre h ARG 7 CO 0.00 0.00 -0.23 1.96 -0.00 0.00 0.00 179.97 181.70 1vre h GLN 8 N 0.00 0.44 -0.11 0.08 1.08 -1.61 -2.34 115.11 112.64 1vre h GLN 8 Ca 0.40 -0.26 -0.02 0.00 -1.45 0.00 0.00 58.65 57.32 1vre h GLN 8 Cb 1.67 0.02 -0.01 0.00 -0.05 0.00 0.00 27.48 29.12 1vre h GLN 8 CO -0.00 0.85 -0.04 0.28 -0.95 0.00 0.00 178.83 178.96 1vre h VAL 9 N 0.06 1.10 0.01 -0.54 2.07 -0.38 -0.04 116.25 118.54 1vre h VAL 9 Ca 0.02 -0.41 -0.00 0.00 0.82 0.00 0.00 66.70 67.13 1vre h VAL 9 Cb 0.80 1.06 0.00 0.00 -1.52 0.00 0.00 31.29 31.63 1vre h VAL 9 CO 0.05 0.13 -0.00 0.58 0.02 0.00 0.00 177.57 178.35 1vre h VAL 10 N 0.16 1.22 0.00 2.57 2.07 -0.91 -2.12 116.25 119.24 1vre h VAL 10 Ca 0.04 -0.70 0.00 0.00 0.82 0.00 0.00 66.70 66.85 1vre h VAL 10 Cb 0.18 1.70 0.00 0.00 -1.52 0.00 0.00 31.29 31.65 1vre h VAL 10 CO 0.01 0.18 0.00 0.00 0.02 0.00 0.00 177.57 177.78 1vre n ALA 11 N -2.25 1.80 0.11 1.67 0.00 -0.90 -2.04 120.51 118.89 1vre n ALA 11 Ca -0.08 0.05 0.02 0.00 0.00 0.00 0.00 53.44 53.43 1vre n ALA 11 Cb 0.17 -1.39 -0.01 0.00 0.00 0.00 0.00 19.45 18.22 1vre n ALA 11 CO 0.00 0.00 0.00 0.77 0.00 0.00 0.00 177.50 178.27 1vre h SER 12 N 0.00 0.00 0.00 0.00 0.02 -0.60 -3.15 113.55 109.82 1vre h SER 12 Ca 0.00 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 60.95 1vre h SER 12 Cb 0.43 0.00 0.00 0.00 0.14 0.00 0.00 62.40 62.97 1vre h SER 12 CO 0.00 0.50 -1.01 0.35 -1.14 0.00 0.00 176.83 175.54 1vre n THR 13 N -3.10 0.00 0.02 -2.27 -2.24 -0.84 -4.26 114.28 101.60 1vre n THR 13 Ca -0.02 -0.01 -0.00 0.00 -2.27 0.00 0.00 64.05 61.75 1vre n THR 13 Cb 0.76 0.98 -0.09 0.00 -2.10 0.00 0.00 70.33 69.88 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 -1.51 0.89 0.65 4.78 -0.00 -0.86 -2.78 117.44 118.61 1vre n TRP 14 Ca 0.04 0.30 0.12 0.00 -0.00 0.00 0.00 57.50 57.96 1vre n TRP 14 Cb 0.33 -1.06 0.46 0.00 -0.00 0.00 0.00 31.31 31.04 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 -2.86 0.14 -0.11 5.87 5.02 -1.19 -1.76 118.16 123.28 1vre n LYS 15 Ca -0.11 0.22 -0.21 0.00 -2.02 0.00 0.00 58.31 56.19 1vre n LYS 15 Cb 0.85 -1.70 -0.07 0.00 -0.02 0.00 0.00 35.03 34.09 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 -1.95 1.70 -0.01 4.39 -0.08 -1.25 -3.61 116.55 115.76 1vre n ASP 16 Ca 0.05 0.29 -0.02 0.00 -1.51 0.00 0.00 54.79 53.60 1vre n ASP 16 Cb 0.32 -0.69 0.25 0.00 2.34 0.00 0.00 41.12 43.34 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 -0.85 1.22 -0.76 5.18 2.04 -1.63 -2.73 117.51 119.98 1vre h ILE 17 Ca -0.44 -0.96 -0.48 0.00 1.00 0.00 0.00 64.86 63.98 1vre h ILE 17 Cb 1.35 1.06 -0.27 0.00 -0.74 0.00 0.00 36.82 38.22 1vre h ILE 17 CO -0.27 0.32 0.20 0.00 0.00 0.00 0.00 178.15 178.41 1vre n ALA 18 N -2.48 5.36 -1.00 1.87 0.00 -0.72 -4.06 120.51 119.48 1vre n ALA 18 Ca 0.01 -3.35 0.00 0.00 0.00 0.00 0.00 53.44 50.10 1vre n ALA 18 Cb 0.30 -1.11 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 -0.98 -2.56 0.06 0.00 0.00 -1.03 -2.33 105.19 98.34 1vre n GLY 19 Ca 0.50 0.16 0.04 0.00 0.00 0.00 0.00 46.02 46.72 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 -0.39 0.22 0.16 1.61 3.41 -1.26 -4.17 113.62 113.19 1vre n SER 20 Ca 0.00 0.09 0.09 0.00 -0.26 0.00 0.00 58.87 58.79 1vre n SER 20 Cb 0.00 1.31 0.08 0.00 -0.26 0.00 0.00 64.21 65.34 1vre n SER 20 CO 0.00 0.00 0.00 -2.24 -0.16 0.00 0.00 175.04 172.64 1vre h ASP 21 N 0.00 0.00 -1.28 4.04 2.03 -1.84 -3.47 116.42 115.89 1vre h ASP 21 Ca -0.16 0.00 -0.36 0.00 -0.73 0.00 0.00 57.03 55.77 1vre h ASP 21 Cb 1.41 0.00 -0.14 0.00 -0.83 0.00 0.00 39.33 39.77 1vre h ASP 21 CO 0.01 0.14 -0.33 -3.20 -1.03 0.00 0.00 179.24 174.83 1vre n ASN 22 N -3.00 -4.67 0.00 4.15 5.15 -0.98 -0.67 115.26 115.24 1vre n ASN 22 Ca 0.01 0.42 0.00 0.00 -0.60 0.00 0.00 54.58 54.41 1vre n ASN 22 Cb 0.60 -4.18 0.00 0.00 -0.53 0.00 0.00 39.78 35.67 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 -0.36 1.19 0.11 8.20 0.00 -1.26 -3.85 105.19 109.23 1vre n GLY 23 Ca -0.18 0.00 -0.12 0.00 0.00 0.00 0.00 46.02 45.72 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 -0.67 4.61 0.00 -1.18 -2.87 119.26 119.33 1vre h ALA 24 Ca 0.00 -0.23 -0.36 0.00 0.00 0.00 0.00 54.91 54.31 1vre h ALA 24 Cb 0.00 -0.05 -0.20 0.00 0.00 0.00 0.00 17.79 17.54 1vre h ALA 24 CO 0.00 -0.07 0.46 0.41 0.00 0.00 0.00 179.25 180.06 1vre n GLY 25 N -0.11 3.84 0.01 0.00 0.00 -1.26 -3.69 105.19 103.97 1vre n GLY 25 Ca -0.06 -0.86 -0.01 0.00 0.00 0.00 0.00 46.02 45.10 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 -0.52 0.07 -0.01 1.61 0.31 -1.09 -4.51 118.33 114.19 1vre n VAL 26 Ca 0.40 -0.03 -0.22 0.00 -0.01 0.00 0.00 64.34 64.49 1vre n VAL 26 Cb 1.18 -0.72 -0.14 0.00 -0.91 0.00 0.00 33.84 33.25 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 3.24 -0.59 0.26 2.92 0.00 -1.18 -2.34 105.19 107.49 1vre n GLY 27 Ca -0.02 -0.24 0.07 0.00 0.00 0.00 0.00 46.02 45.83 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 -0.05 0.08 0.00 1.61 2.10 -1.65 0.88 116.57 119.54 1vre h LYS 28 Ca -0.42 -0.01 -0.15 0.00 -2.00 0.00 0.00 60.65 58.07 1vre h LYS 28 Cb 1.95 -0.02 -0.03 0.00 -0.90 0.00 0.00 32.23 33.24 1vre h LYS 28 CO 0.05 0.11 -1.39 -0.85 -2.00 0.00 0.00 179.45 175.37 1vre n GLU 29 N -4.47 0.62 -0.09 0.07 -0.00 -1.26 -3.53 120.64 111.99 1vre n GLU 29 Ca -0.02 0.20 -0.17 0.00 -0.00 0.00 0.00 57.16 57.17 1vre n GLU 29 Cb 0.13 -1.80 -0.11 0.00 -0.00 0.00 0.00 31.44 29.65 1vre n GLU 29 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.13 177.13 1vre h PHE 31 N -1.00 0.88 -0.54 0.00 -1.00 0.56 -0.65 116.94 115.19 1vre h PHE 31 Ca -0.18 0.02 0.06 0.00 2.81 0.00 0.00 57.97 60.68 1vre h PHE 31 Cb 1.11 -0.28 -0.06 0.00 3.61 0.00 0.00 35.95 40.34 1vre h PHE 31 CO 0.16 0.37 0.23 1.15 -1.61 0.00 0.00 178.31 178.61 1vre h THR 32 N 0.79 0.88 -0.14 -1.55 2.02 -1.69 0.24 112.91 113.46 1vre h THR 32 Ca 0.42 -0.15 -0.03 0.00 0.77 0.00 0.00 66.41 67.42 1vre h THR 32 Cb 0.54 0.39 -0.00 0.00 -1.74 0.00 0.00 68.15 67.34 1vre h THR 32 CO -0.19 0.08 -0.01 0.11 0.37 0.00 0.00 175.52 175.89 1vre h LYS 33 N 0.44 0.25 -0.22 6.66 1.57 -1.25 -0.93 116.57 123.11 1vre h LYS 33 Ca 0.25 -0.09 0.04 0.00 -1.87 0.00 0.00 60.65 58.99 1vre h LYS 33 Cb 0.23 -0.02 -0.04 0.00 0.08 0.00 0.00 32.23 32.48 1vre h LYS 33 CO -0.22 0.50 -0.05 0.35 -0.57 0.00 0.00 179.45 179.47 1vre h PHE 34 N -0.02 -0.11 -0.51 -1.35 3.57 -0.73 0.34 116.94 118.14 1vre h PHE 34 Ca 0.04 0.02 0.01 0.00 3.53 0.00 0.00 57.97 61.57 1vre h PHE 34 Cb 0.40 0.08 -0.03 0.00 2.79 0.00 0.00 35.95 39.19 1vre h PHE 34 CO 0.04 -0.09 0.32 -0.07 -2.23 0.00 0.00 178.31 176.28 1vre h LEU 35 N 0.01 0.55 0.68 0.59 3.38 -0.46 0.67 115.31 120.72 1vre h LEU 35 Ca 0.11 -0.01 -0.03 0.00 0.09 0.00 0.00 57.88 58.03 1vre h LEU 35 Cb 0.16 -0.13 0.01 0.00 0.09 0.00 0.00 40.66 40.79 1vre h LEU 35 CO -0.22 0.39 -0.33 -1.28 0.09 0.00 0.00 178.44 177.09 1vre h SER 36 N 0.65 -0.78 -0.17 -0.43 0.87 -0.43 -2.87 113.55 110.40 1vre h SER 36 Ca 0.19 0.03 0.05 0.00 -1.23 0.00 0.00 61.79 60.83 1vre h SER 36 Cb -0.04 0.20 -0.01 0.00 -0.44 0.00 0.00 62.40 62.12 1vre h SER 36 CO -0.06 -0.48 0.14 0.00 -0.53 0.00 0.00 176.83 175.90 1vre h ALA 37 N -1.42 2.04 -3.60 6.23 0.00 -0.30 -3.34 119.26 118.87 1vre h ALA 37 Ca -0.09 -0.01 -0.67 0.00 0.00 0.00 0.00 54.91 54.14 1vre h ALA 37 Cb 0.70 0.01 -0.37 0.00 0.00 0.00 0.00 17.79 18.13 1vre h ALA 37 CO 0.15 -0.22 -0.70 -1.01 0.00 0.00 0.00 179.25 177.47 1vre s HIS 38 N -4.93 3.57 -0.27 0.00 3.76 0.23 -4.93 115.29 112.72 1vre s HIS 38 Ca -0.05 -2.61 0.21 0.00 -0.15 0.00 0.00 55.06 52.46 1vre s HIS 38 Cb 0.17 -2.67 0.10 0.00 1.11 0.00 0.00 32.58 31.29 1vre s HIS 38 CO 0.65 -0.92 1.24 0.45 -0.85 0.00 0.00 174.74 175.31 1vre h HIS 39 N 7.78 0.00 0.00 1.40 -0.00 -1.68 -2.95 115.15 119.70 1vre h HIS 39 Ca -0.11 0.00 -0.00 0.00 -0.00 0.00 0.00 60.37 60.26 1vre h HIS 39 Cb 1.03 0.00 -0.00 0.00 -0.00 0.00 0.00 27.41 28.44 1vre h HIS 39 CO 0.54 0.14 -0.02 0.38 -0.00 0.00 0.00 177.93 178.97 1vre h ASP 40 N 0.00 0.00 0.00 2.45 2.03 -1.91 -2.82 116.42 116.17 1vre h ASP 40 Ca -0.02 0.00 -0.07 0.00 -0.73 0.00 0.00 57.03 56.20 1vre h ASP 40 Cb 1.13 0.00 -0.01 0.00 -0.83 0.00 0.00 39.33 39.62 1vre h ASP 40 CO 0.01 0.02 -1.91 0.23 -1.03 0.00 0.00 179.24 176.56 1vre n MET 41 N -3.14 0.71 -0.26 4.15 2.81 -1.22 -4.26 117.12 115.91 1vre n MET 41 Ca -0.00 -0.13 0.05 0.00 -1.81 0.00 0.00 57.70 55.81 1vre n MET 41 Cb 0.27 -1.44 0.19 0.00 -0.71 0.00 0.00 33.22 31.53 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 1.48 1.06 0.00 3.04 0.00 -1.31 0.62 119.26 124.14 1vre h ALA 42 Ca -0.11 0.12 -0.05 0.00 0.00 0.00 0.00 54.91 54.87 1vre h ALA 42 Cb 1.12 0.10 -0.01 0.00 0.00 0.00 0.00 17.79 19.01 1vre h ALA 42 CO 0.01 -0.23 -0.23 0.00 0.00 0.00 0.00 179.25 178.80 1vre h ALA 43 N 1.56 0.96 -0.16 0.00 0.00 -1.73 -2.36 119.26 117.52 1vre h ALA 43 Ca 0.42 -0.21 -0.22 0.00 0.00 0.00 0.00 54.91 54.89 1vre h ALA 43 Cb 0.64 -0.04 0.01 0.00 0.00 0.00 0.00 17.79 18.41 1vre h ALA 43 CO -0.42 0.29 -0.78 0.28 0.00 0.00 0.00 179.25 178.62 1vre h VAL 44 N 0.00 1.27 -0.40 0.00 2.07 -0.09 -3.21 116.25 115.89 1vre h VAL 44 Ca -0.00 -1.97 -0.14 0.00 0.82 0.00 0.00 66.70 65.41 1vre h VAL 44 Cb 0.86 1.97 -0.01 0.00 -1.52 0.00 0.00 31.29 32.60 1vre h VAL 44 CO 0.03 0.63 -0.31 -0.26 0.02 0.00 0.00 177.57 177.68 1vre h PHE 45 N 0.55 1.03 0.00 1.57 -1.00 -0.63 -3.42 116.94 115.05 1vre h PHE 45 Ca -0.05 -0.28 0.00 0.00 2.81 0.00 0.00 57.97 60.45 1vre h PHE 45 Cb 1.41 -0.23 0.00 0.00 3.61 0.00 0.00 35.95 40.74 1vre h PHE 45 CO 0.09 1.07 0.00 0.41 -1.61 0.00 0.00 178.31 178.27 1vre n GLY 46 N -0.03 1.98 3.61 -1.45 0.00 -1.06 -5.03 105.19 103.22 1vre n GLY 46 Ca -0.01 0.00 -0.28 0.00 0.00 0.00 0.00 46.02 45.73 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 2.23 -0.23 1.61 0.08 -0.92 -4.97 117.98 113.77 1vre s PHE 47 Ca 0.00 -0.83 0.16 0.00 0.12 0.00 0.00 56.93 56.39 1vre s PHE 47 Cb 0.00 -1.60 0.51 0.00 -0.57 0.00 0.00 43.02 41.36 1vre s PHE 47 CO 0.00 0.27 1.41 0.45 -0.10 0.00 0.00 175.22 177.24 1vre n SER 48 N -0.99 3.80 0.00 1.36 2.88 -1.26 -4.21 113.62 115.19 1vre n SER 48 Ca -0.07 -2.94 0.00 0.00 -1.33 0.00 0.00 58.87 54.52 1vre n SER 48 Cb 0.67 -0.52 0.00 0.00 -0.75 0.00 0.00 64.21 63.61 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 -0.45 -0.02 0.53 0.46 0.00 -1.26 -4.88 105.19 99.57 1vre n GLY 49 Ca 0.21 -1.49 0.09 0.00 0.00 0.00 0.00 46.02 44.82 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 -0.45 2.51 -1.80 4.61 0.00 -1.26 -4.01 120.51 120.10 1vre n ALA 50 Ca 0.00 -0.51 -0.30 0.00 0.00 0.00 0.00 53.44 52.63 1vre n ALA 50 Cb 0.00 -1.07 0.04 0.00 0.00 0.00 0.00 19.45 18.42 1vre n ALA 50 CO 0.00 0.00 0.00 0.45 0.00 0.00 0.00 177.50 177.95 1vre n SER 51 N 0.28 6.27 -4.34 0.00 2.88 -1.26 -4.90 113.62 112.55 1vre n SER 51 Ca 0.15 -3.77 -0.33 0.00 -1.33 0.00 0.00 58.87 53.59 1vre n SER 51 Cb 0.30 -0.68 -0.15 0.00 -0.75 0.00 0.00 64.21 62.93 1vre n SER 51 CO 0.00 0.00 0.00 -1.81 -1.23 0.00 0.00 175.04 172.00 1vre s ASP 52 N -2.63 3.74 0.65 -3.46 1.01 -1.26 -4.98 116.67 109.74 1vre s ASP 52 Ca 0.56 -0.38 0.42 0.00 0.71 0.00 0.00 52.55 53.87 1vre s ASP 52 Cb 0.45 -1.42 2.26 0.00 1.01 0.00 0.00 42.92 45.22 1vre s ASP 52 CO -0.06 0.19 2.32 -0.65 0.21 0.00 0.00 175.17 177.18 1vre h PRO 53 N 6.50 0.00 -0.61 8.23 0.11 -1.96 -1.75 132.00 142.52 1vre h PRO 53 Ca -0.27 0.00 0.01 0.00 0.11 0.00 0.00 66.00 65.85 1vre h PRO 53 Cb 1.21 0.00 -0.03 0.00 0.11 0.00 0.00 31.00 32.29 1vre h PRO 53 CO 0.52 0.00 0.40 0.78 -0.21 0.00 0.00 178.00 179.50 1vre h GLY 54 N 0.26 0.85 1.30 -0.55 0.00 -1.93 -0.05 103.07 102.96 1vre h GLY 54 Ca -0.00 -0.31 0.04 0.00 0.00 0.00 0.00 47.33 47.06 1vre h GLY 54 CO 0.00 0.31 0.31 -2.08 0.00 0.00 0.00 176.54 175.07 1vre h VAL 55 N 0.81 0.20 0.00 4.60 2.07 -1.69 0.62 116.25 122.87 1vre h VAL 55 Ca 0.22 0.00 0.00 0.00 0.82 0.00 0.00 66.70 67.74 1vre h VAL 55 Cb -0.08 0.73 0.00 0.00 -1.52 0.00 0.00 31.29 30.42 1vre h VAL 55 CO -0.05 0.00 -0.63 0.00 0.02 0.00 0.00 177.57 176.91 1vre h ALA 56 N 1.53 0.68 0.00 1.67 0.00 -1.18 -2.99 119.26 118.97 1vre h ALA 56 Ca 0.07 0.00 -0.18 0.00 0.00 0.00 0.00 54.91 54.80 1vre h ALA 56 Cb 0.68 0.00 -0.03 0.00 0.00 0.00 0.00 17.79 18.44 1vre h ALA 56 CO -0.00 0.00 -1.30 -0.44 0.00 0.00 0.00 179.25 177.51 1vre h ASP 57 N 0.00 0.00 0.00 0.00 3.32 0.22 -3.19 116.42 116.77 1vre h ASP 57 Ca 0.00 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.05 1vre h ASP 57 Cb 0.97 0.00 0.00 0.00 0.22 0.00 0.00 39.33 40.52 1vre h ASP 57 CO 0.00 0.65 -0.11 -0.07 -1.72 0.00 0.00 179.24 177.99 1vre h LEU 58 N 0.00 0.00 -1.30 1.55 3.38 -1.37 -3.05 115.31 114.53 1vre h LEU 58 Ca -0.15 0.00 0.25 0.00 0.09 0.00 0.00 57.88 58.07 1vre h LEU 58 Cb 1.62 0.00 -0.10 0.00 0.09 0.00 0.00 40.66 42.28 1vre h LEU 58 CO 0.06 0.23 0.65 1.23 0.09 0.00 0.00 178.44 180.69 1vre h GLY 59 N -0.34 1.32 2.00 0.83 0.00 -1.73 1.00 103.07 106.16 1vre h GLY 59 Ca 0.00 -0.23 -0.03 0.00 0.00 0.00 0.00 47.33 47.07 1vre h GLY 59 CO 0.00 -0.13 -0.14 0.00 0.00 0.00 0.00 176.54 176.27 1vre h ALA 60 N 1.63 0.99 0.00 3.60 0.00 -1.72 -2.03 119.26 121.75 1vre h ALA 60 Ca 0.59 -0.13 -0.06 0.00 0.00 0.00 0.00 54.91 55.30 1vre h ALA 60 Cb 1.38 -0.02 -0.01 0.00 0.00 0.00 0.00 17.79 19.13 1vre h ALA 60 CO -0.31 0.18 -1.56 1.63 0.00 0.00 0.00 179.25 179.19 1vre n LYS 61 N -3.26 0.64 -0.02 0.00 5.02 0.31 -4.18 118.16 116.66 1vre n LYS 61 Ca 0.01 0.01 -0.19 0.00 -2.02 0.00 0.00 58.31 56.12 1vre n LYS 61 Cb 0.42 -1.69 -0.13 0.00 -0.02 0.00 0.00 35.03 33.61 1vre n LYS 61 CO 0.00 0.00 0.00 0.28 -0.52 0.00 0.00 177.40 177.16 1vre h VAL 62 N 0.00 1.33 -0.73 -0.18 2.07 -0.25 -3.35 116.25 115.14 1vre h VAL 62 Ca -0.08 -2.38 0.16 0.00 0.82 0.00 0.00 66.70 65.23 1vre h VAL 62 Cb 1.21 2.92 -0.12 0.00 -1.52 0.00 0.00 31.29 33.79 1vre h VAL 62 CO 0.01 0.61 0.08 -0.07 0.02 0.00 0.00 177.57 178.22 1vre h LEU 63 N -0.64 -0.19 -0.49 2.57 -0.00 -1.57 -0.21 115.31 114.80 1vre h LEU 63 Ca -0.19 0.17 0.10 0.00 -0.00 0.00 0.00 57.88 57.96 1vre h LEU 63 Cb 1.44 0.27 -0.10 0.00 -0.00 0.00 0.00 40.66 42.28 1vre h LEU 63 CO 0.01 -0.12 -0.22 0.00 -0.00 0.00 0.00 178.44 178.12 1vre h ALA 64 N 1.65 0.13 -0.84 1.53 0.00 -1.69 0.17 119.26 120.20 1vre h ALA 64 Ca 0.41 0.17 0.17 0.00 0.00 0.00 0.00 54.91 55.65 1vre h ALA 64 Cb 0.71 0.54 -0.10 0.00 0.00 0.00 0.00 17.79 18.94 1vre h ALA 64 CO -0.59 -0.56 0.39 0.37 0.00 0.00 0.00 179.25 178.87 1vre h GLN 65 N -0.11 0.50 -0.77 0.00 5.75 -1.16 0.36 115.11 119.67 1vre h GLN 65 Ca 0.23 -0.03 -0.01 0.00 -0.15 0.00 0.00 58.65 58.68 1vre h GLN 65 Cb 0.47 -0.11 -0.04 0.00 1.07 0.00 0.00 27.48 28.87 1vre h GLN 65 CO -0.56 0.33 0.43 0.82 -2.65 0.00 0.00 178.83 177.20 1vre h ILE 66 N 0.51 1.23 0.08 2.39 2.04 -0.51 -0.71 117.51 122.53 1vre h ILE 66 Ca 0.48 -0.56 -0.00 0.00 1.00 0.00 0.00 64.86 65.78 1vre h ILE 66 Cb 0.78 0.18 0.00 0.00 -0.74 0.00 0.00 36.82 37.04 1vre h ILE 66 CO -0.43 0.25 -0.04 1.23 0.00 0.00 0.00 178.15 179.17 1vre h GLY 67 N 1.11 -0.11 2.00 5.37 0.00 0.72 0.19 103.07 112.34 1vre h GLY 67 Ca 0.27 0.04 -0.01 0.00 0.00 0.00 0.00 47.33 47.63 1vre h GLY 67 CO -0.05 -0.04 -0.06 -2.08 0.00 0.00 0.00 176.54 174.31 1vre h VAL 68 N -0.30 1.04 0.00 4.60 2.07 -0.91 -0.59 116.25 122.16 1vre h VAL 68 Ca -0.01 -0.21 0.00 0.00 0.82 0.00 0.00 66.70 67.30 1vre h VAL 68 Cb 0.25 1.11 0.00 0.00 -1.52 0.00 0.00 31.29 31.13 1vre h VAL 68 CO 0.02 0.06 -0.34 0.00 0.02 0.00 0.00 177.57 177.33 1vre n ALA 69 N -2.53 2.66 0.03 1.67 0.00 -0.30 -3.97 120.51 118.07 1vre n ALA 69 Ca -0.03 -0.15 -0.21 0.00 0.00 0.00 0.00 53.44 53.04 1vre n ALA 69 Cb 0.14 -1.30 -0.14 0.00 0.00 0.00 0.00 19.45 18.15 1vre n ALA 69 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 177.50 177.78 1vre h VAL 70 N 0.00 1.12 -0.51 0.00 2.07 0.96 -3.28 116.25 116.61 1vre h VAL 70 Ca 0.00 -2.45 0.15 0.00 0.82 0.00 0.00 66.70 65.22 1vre h VAL 70 Cb 0.73 2.82 -0.02 0.00 -1.52 0.00 0.00 31.29 33.29 1vre h VAL 70 CO 0.00 0.72 0.64 0.28 0.02 0.00 0.00 177.57 179.24 1vre h SER 71 N -0.26 0.00 0.00 0.57 0.02 -1.58 -3.36 113.55 108.94 1vre h SER 71 Ca -0.28 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 60.67 1vre h SER 71 Cb 1.79 0.00 0.00 0.00 0.14 0.00 0.00 62.40 64.33 1vre h SER 71 CO 0.10 0.00 0.00 1.41 -1.14 0.00 0.00 176.83 177.20 1vre n HIS 72 N -3.46 0.00 0.00 3.45 8.25 -1.24 -4.76 115.22 117.46 1vre n HIS 72 Ca 0.10 0.00 0.00 0.00 -0.26 0.00 0.00 57.72 57.56 1vre n HIS 72 Cb 0.83 0.00 0.00 0.00 1.12 0.00 0.00 29.99 31.94 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 0.00 0.00 -0.17 2.41 4.77 -1.25 -4.29 117.00 118.47 1vre n LEU 73 Ca 0.00 0.00 -0.05 0.00 -0.03 0.00 0.00 56.01 55.93 1vre n LEU 73 Cb 0.00 0.00 0.05 0.00 -2.33 0.00 0.00 43.42 41.14 1vre n LEU 73 CO 0.00 0.00 1.04 1.23 -1.33 0.00 0.00 177.39 178.33 1vre h GLY 74 N 0.00 0.73 0.00 -0.72 0.00 -1.86 -3.42 103.07 97.79 1vre h GLY 74 Ca 0.00 -0.21 0.00 0.00 0.00 0.00 0.00 47.33 47.12 1vre h GLY 74 CO 0.00 0.16 0.00 1.22 0.00 0.00 0.00 176.54 177.92 1vre n ASP 75 N -4.83 0.00 -2.42 0.19 8.00 -1.26 -4.89 116.55 111.34 1vre n ASP 75 Ca 0.04 0.00 -0.07 0.00 0.71 0.00 0.00 54.79 55.47 1vre n ASP 75 Cb 0.10 0.00 -0.06 0.00 -0.02 0.00 0.00 41.12 41.14 1vre n ASP 75 CO 0.00 0.00 0.00 -0.62 -0.39 0.00 0.00 177.20 176.19 1vre n GLU 76 N -1.61 0.96 0.22 -1.24 4.71 -1.26 -4.20 120.64 118.22 1vre n GLU 76 Ca 0.00 -0.55 0.15 0.00 -0.01 0.00 0.00 57.16 56.76 1vre n GLU 76 Cb 0.00 -1.81 0.72 0.00 -1.01 0.00 0.00 31.44 29.35 1vre n GLU 76 CO 0.00 0.00 0.00 0.78 0.09 0.00 0.00 177.13 178.00 1vre h GLY 77 N 6.06 0.00 -0.01 0.62 0.00 -1.90 -1.93 103.07 105.92 1vre h GLY 77 Ca 0.13 0.00 0.23 0.00 0.00 0.00 0.00 47.33 47.68 1vre h GLY 77 CO 0.53 0.00 0.62 1.70 0.00 0.00 0.00 176.54 179.39 1vre h LYS 78 N 0.00 0.57 -0.56 4.80 3.64 -1.99 1.20 116.57 124.23 1vre h LYS 78 Ca 0.00 -0.03 0.16 0.00 -1.27 0.00 0.00 60.65 59.51 1vre h LYS 78 Cb 0.23 -0.13 -0.02 0.00 -0.41 0.00 0.00 32.23 31.90 1vre h LYS 78 CO 0.00 0.37 0.61 0.00 -2.27 0.00 0.00 179.45 178.16 1vre h MET 79 N 0.58 0.00 -0.89 1.90 -0.00 -1.72 0.63 114.93 115.43 1vre h MET 79 Ca 0.59 0.00 0.25 0.00 -0.00 0.00 0.00 59.70 60.54 1vre h MET 79 Cb 1.18 0.00 -0.04 0.00 -0.00 0.00 0.00 31.60 32.74 1vre h MET 79 CO -0.37 0.00 0.63 0.28 -0.00 0.00 0.00 176.91 177.45 1vre h VAL 80 N 0.00 0.58 -0.24 -0.10 2.07 0.13 0.97 116.25 119.66 1vre h VAL 80 Ca 0.27 -0.03 -0.13 0.00 0.82 0.00 0.00 66.70 67.63 1vre h VAL 80 Cb 1.47 0.48 -0.01 0.00 -1.52 0.00 0.00 31.29 31.72 1vre h VAL 80 CO -0.00 0.02 -0.39 0.00 0.02 0.00 0.00 177.57 177.22 1vre h ALA 81 N 1.57 0.89 0.28 1.67 0.00 0.12 -1.76 119.26 122.03 1vre h ALA 81 Ca 0.44 -0.43 -0.01 0.00 0.00 0.00 0.00 54.91 54.90 1vre h ALA 81 Cb 1.59 -0.11 0.00 0.00 0.00 0.00 0.00 17.79 19.27 1vre h ALA 81 CO -0.05 0.63 -0.14 1.49 0.00 0.00 0.00 179.25 181.19 1vre h GLU 82 N 0.45 -0.37 -0.91 0.00 4.81 0.86 -2.14 114.58 117.28 1vre h GLU 82 Ca 0.04 0.03 0.07 0.00 -0.13 0.00 0.00 59.36 59.37 1vre h GLU 82 Cb 0.88 0.08 -0.06 0.00 0.63 0.00 0.00 28.75 30.28 1vre h GLU 82 CO 0.07 -0.20 0.59 0.52 -0.73 0.00 0.00 179.01 179.26 1vre h MET 83 N -0.44 0.96 -0.94 1.92 2.86 -1.34 0.19 114.93 118.14 1vre h MET 83 Ca -0.04 -0.06 0.21 0.00 -2.06 0.00 0.00 59.70 57.76 1vre h MET 83 Cb 0.34 -0.22 -0.08 0.00 0.06 0.00 0.00 31.60 31.70 1vre h MET 83 CO 0.06 0.64 0.61 0.87 1.06 0.00 0.00 176.91 180.16 1vre h LYS 84 N 0.99 0.44 -0.12 1.72 1.79 -0.67 0.95 116.57 121.67 1vre h LYS 84 Ca 0.40 -0.03 -0.09 0.00 -2.18 0.00 0.00 60.65 58.75 1vre h LYS 84 Cb 0.26 -0.10 -0.01 0.00 -1.58 0.00 0.00 32.23 30.80 1vre h LYS 84 CO -0.16 0.29 -0.34 0.00 -1.08 0.00 0.00 179.45 178.16 1vre h ALA 85 N 1.61 1.20 0.16 3.86 0.00 -0.24 -2.31 119.26 123.54 1vre h ALA 85 Ca 0.50 -0.36 -0.00 0.00 0.00 0.00 0.00 54.91 55.04 1vre h ALA 85 Cb 1.20 -0.09 -0.00 0.00 0.00 0.00 0.00 17.79 18.89 1vre h ALA 85 CO -0.22 0.54 -0.10 0.28 0.00 0.00 0.00 179.25 179.75 1vre h VAL 86 N 0.21 0.78 0.08 0.00 2.07 0.11 0.31 116.25 119.82 1vre h VAL 86 Ca 0.03 0.00 0.02 0.00 0.82 0.00 0.00 66.70 67.56 1vre h VAL 86 Cb 0.71 0.78 -0.03 0.00 -1.52 0.00 0.00 31.29 31.24 1vre h VAL 86 CO 0.05 0.00 -0.18 1.23 0.02 0.00 0.00 177.57 178.70 1vre h GLY 87 N -0.26 -0.31 0.29 2.17 0.00 -1.31 0.87 103.07 104.53 1vre h GLY 87 Ca -0.01 0.21 0.22 0.00 0.00 0.00 0.00 47.33 47.74 1vre h GLY 87 CO 0.01 -0.17 0.60 -2.08 0.00 0.00 0.00 176.54 174.90 1vre h VAL 88 N -0.34 0.64 0.00 4.60 2.07 -0.65 0.44 116.25 123.02 1vre h VAL 88 Ca 0.03 -0.09 -0.01 0.00 0.82 0.00 0.00 66.70 67.45 1vre h VAL 88 Cb 0.36 0.35 0.00 0.00 -1.52 0.00 0.00 31.29 30.49 1vre h VAL 88 CO -0.11 0.05 -0.03 0.03 0.02 0.00 0.00 177.57 177.53 1vre h ARG 89 N 0.26 0.02 -0.01 1.57 2.47 0.22 -3.10 114.38 115.80 1vre h ARG 89 Ca 0.45 -0.02 0.00 0.00 -1.26 0.00 0.00 59.98 59.15 1vre h ARG 89 Cb 1.33 0.01 -0.00 0.00 -1.65 0.00 0.00 29.97 29.66 1vre h ARG 89 CO -0.12 0.83 0.06 0.45 0.56 0.00 0.00 179.97 181.75 1vre h HIS 90 N -0.79 0.00 0.00 3.04 3.86 0.24 0.15 115.15 121.65 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 0.85 0.00 0.00 0.00 1.06 0.00 0.00 27.41 29.32 1vre h HIS 90 CO 0.21 0.00 0.00 1.17 0.86 0.00 0.00 177.93 180.17 1vre n LYS 91 N -3.23 0.08 -2.82 2.45 0.00 0.14 -3.32 118.16 111.45 1vre n LYS 91 Ca -0.03 0.40 -0.11 0.00 0.00 0.00 0.00 58.31 58.57 1vre n LYS 91 Cb 0.13 -1.68 0.03 0.00 0.00 0.00 0.00 35.03 33.51 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 -0.46 2.05 0.00 3.14 0.00 0.04 -4.79 105.19 105.16 1vre n GLY 92 Ca 0.02 -1.21 0.00 0.00 0.00 0.00 0.00 46.02 44.83 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 0.01 -1.54 0.01 1.61 4.02 -1.21 -4.94 117.16 115.11 1vre n TYR 93 Ca 0.12 0.00 -0.13 0.00 -0.01 0.00 0.00 57.90 57.89 1vre n TYR 93 Cb 0.77 0.00 -0.10 0.00 -0.02 0.00 0.00 39.34 39.99 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 -0.07 1.79 2.72 0.00 -1.93 -3.21 103.07 102.36 1vre h GLY 94 Ca 0.00 0.03 -0.11 0.00 0.00 0.00 0.00 47.33 47.25 1vre h GLY 94 CO 0.00 -0.03 -0.43 3.45 0.00 0.00 0.00 176.54 179.54 1vre h ASN 95 N -0.63 0.24 -0.96 0.19 -1.07 -1.91 -3.46 115.58 107.99 1vre h ASN 95 Ca -0.01 -0.10 -0.35 0.00 0.07 0.00 0.00 56.30 55.91 1vre h ASN 95 Cb 0.55 -0.07 -0.14 0.00 -2.07 0.00 0.00 38.32 36.59 1vre h ASN 95 CO 0.01 0.64 -0.32 1.17 0.07 0.00 0.00 177.43 179.01 1vre n LYS 96 N -4.01 -1.49 -2.29 4.14 4.81 -1.22 -4.81 118.16 113.29 1vre n LYS 96 Ca -0.02 1.06 -0.18 0.00 -0.87 0.00 0.00 58.31 58.30 1vre n LYS 96 Cb 0.49 -5.41 0.03 0.00 0.02 0.00 0.00 35.03 30.16 1vre n LYS 96 CO 0.00 0.00 0.00 0.72 1.17 0.00 0.00 177.40 179.29 1vre n HIS 97 N -2.22 2.38 -2.38 5.64 8.25 -1.26 -4.96 115.22 120.66 1vre n HIS 97 Ca -0.17 -2.30 -0.31 0.00 -0.26 0.00 0.00 57.72 54.67 1vre n HIS 97 Cb 0.61 -0.29 -0.02 0.00 1.12 0.00 0.00 29.99 31.41 1vre n HIS 97 CO 0.00 0.00 0.00 0.42 0.64 0.00 0.00 176.34 177.40 1vre s ILE 98 N -4.43 4.62 0.02 1.59 1.01 -1.26 -4.98 121.20 117.77 1vre s ILE 98 Ca 0.44 1.02 0.02 0.00 0.00 0.00 0.00 60.65 62.12 1vre s ILE 98 Cb 0.39 -3.76 -0.01 0.00 0.01 0.00 0.00 42.46 39.09 1vre s ILE 98 CO -0.00 -0.75 -0.06 -0.54 0.00 0.00 0.00 174.94 173.59 1vre s LYS 99 N -4.26 0.44 -0.01 2.79 3.01 -1.26 -4.96 119.74 115.48 1vre s LYS 99 Ca 0.56 -0.48 0.07 0.00 -1.01 0.00 0.00 55.97 55.11 1vre s LYS 99 Cb -0.10 -0.28 0.22 0.00 -1.01 0.00 0.00 37.83 36.65 1vre s LYS 99 CO 0.36 0.06 1.13 0.00 0.51 0.00 0.00 175.35 177.41 1vre n ALA 100 N 2.14 2.55 -0.00 5.17 0.00 -1.26 -3.61 120.51 125.50 1vre n ALA 100 Ca -0.18 -0.45 0.03 0.00 0.00 0.00 0.00 53.44 52.83 1vre n ALA 100 Cb 0.56 -0.99 -0.12 0.00 0.00 0.00 0.00 19.45 18.90 1vre n ALA 100 CO 0.00 0.00 0.00 -0.85 0.00 0.00 0.00 177.50 176.65 1vre n GLU 101 N 0.20 0.65 0.00 0.00 0.28 -1.26 -4.00 120.64 116.51 1vre n GLU 101 Ca 0.08 0.02 0.14 0.00 -0.16 0.00 0.00 57.16 57.25 1vre n GLU 101 Cb 0.26 -1.65 0.59 0.00 1.43 0.00 0.00 31.44 32.07 1vre n GLU 101 CO 0.00 0.00 0.00 0.66 -0.16 0.00 0.00 177.13 177.63 1vre n TYR 102 N -2.63 0.00 0.07 -1.84 4.02 -1.24 -3.92 117.16 111.62 1vre n TYR 102 Ca -0.12 0.00 -0.13 0.00 -0.01 0.00 0.00 57.90 57.64 1vre n TYR 102 Cb 0.79 -0.31 -0.09 0.00 -0.02 0.00 0.00 39.34 39.71 1vre n TYR 102 CO 0.00 0.00 0.00 0.74 -1.01 0.00 0.00 176.86 176.59 1vre h PHE 103 N 0.19 -0.18 0.30 -0.72 -1.00 -1.76 -1.10 116.94 112.66 1vre h PHE 103 Ca 0.00 -0.00 0.00 0.00 2.81 0.00 0.00 57.97 60.78 1vre h PHE 103 Cb 0.41 0.06 -0.02 0.00 3.61 0.00 0.00 35.95 40.01 1vre h PHE 103 CO 0.00 0.16 -0.30 1.49 -1.61 0.00 0.00 178.31 178.04 1vre h GLU 104 N -0.54 -0.61 0.16 1.51 4.22 -1.81 0.39 114.58 117.90 1vre h GLU 104 Ca -0.02 0.04 0.01 0.00 0.08 0.00 0.00 59.36 59.47 1vre h GLU 104 Cb 0.42 0.14 -0.04 0.00 0.50 0.00 0.00 28.75 29.77 1vre h GLU 104 CO 0.03 -0.41 -0.43 -1.35 -2.18 0.00 0.00 179.01 174.67 1vre h PRO 105 N -0.64 -0.64 -0.16 0.92 0.11 -1.71 0.73 132.00 130.61 1vre h PRO 105 Ca -0.01 0.04 0.05 0.00 0.11 0.00 0.00 66.00 66.19 1vre h PRO 105 Cb 0.58 0.14 -0.01 0.00 0.11 0.00 0.00 31.00 31.83 1vre h PRO 105 CO -0.06 -0.42 0.25 1.25 -0.21 0.00 0.00 178.00 178.80 1vre h LEU 106 N -0.66 0.00 0.03 2.35 7.12 -1.08 0.38 115.31 123.45 1vre h LEU 106 Ca -0.01 0.00 -0.04 0.00 0.13 0.00 0.00 57.88 57.95 1vre h LEU 106 Cb 0.64 0.00 0.00 0.00 -0.53 0.00 0.00 40.66 40.78 1vre h LEU 106 CO -0.20 0.00 -0.18 1.23 -0.13 0.00 0.00 178.44 179.15 1vre h GLY 107 N 0.00 0.09 2.00 3.75 0.00 0.28 -2.26 103.07 106.93 1vre h GLY 107 Ca 0.08 -0.21 -0.09 0.00 0.00 0.00 0.00 47.33 47.11 1vre h GLY 107 CO -0.00 0.18 -0.42 0.00 0.00 0.00 0.00 176.54 176.30 1vre h ALA 108 N 0.07 1.14 -0.00 3.60 0.00 0.14 -2.75 119.26 121.45 1vre h ALA 108 Ca -0.03 -0.39 -0.17 0.00 0.00 0.00 0.00 54.91 54.32 1vre h ALA 108 Cb 1.10 -0.07 -0.02 0.00 0.00 0.00 0.00 17.79 18.80 1vre h ALA 108 CO 0.03 0.53 -0.79 0.77 0.00 0.00 0.00 179.25 179.80 1vre h SER 109 N 0.00 0.09 0.49 0.00 0.02 -0.37 -3.08 113.55 110.71 1vre h SER 109 Ca -0.00 -0.07 -0.11 0.00 -0.84 0.00 0.00 61.79 60.77 1vre h SER 109 Cb 0.83 -0.03 -0.02 0.00 0.14 0.00 0.00 62.40 63.33 1vre h SER 109 CO 0.06 0.84 -0.51 0.25 -1.14 0.00 0.00 176.83 176.33 1vre h LEU 110 N 0.04 0.02 -1.39 5.07 6.46 -1.11 -2.68 115.31 121.72 1vre h LEU 110 Ca -0.02 -0.01 -0.05 0.00 -0.12 0.00 0.00 57.88 57.68 1vre h LEU 110 Cb 1.38 -0.00 -0.01 0.00 -0.73 0.00 0.00 40.66 41.29 1vre h LEU 110 CO 0.11 0.52 -0.13 -0.07 -0.62 0.00 0.00 178.44 178.25 1vre h LEU 111 N 0.01 0.23 -0.61 2.25 3.38 -1.42 0.13 115.31 119.29 1vre h LEU 111 Ca -0.00 -0.05 -0.10 0.00 0.09 0.00 0.00 57.88 57.82 1vre h LEU 111 Cb 0.90 -0.06 -0.01 0.00 0.09 0.00 0.00 40.66 41.57 1vre h LEU 111 CO 0.07 0.39 -0.46 0.28 0.09 0.00 0.00 178.44 178.80 1vre h SER 112 N 0.23 0.00 0.41 -0.43 0.02 -1.53 -3.21 113.55 109.04 1vre h SER 112 Ca 0.05 0.00 -0.31 0.00 -0.84 0.00 0.00 61.79 60.68 1vre h SER 112 Cb 0.38 0.00 -0.01 0.00 0.14 0.00 0.00 62.40 62.90 1vre h SER 112 CO 0.02 0.46 -1.62 0.00 -1.14 0.00 0.00 176.83 174.56 1vre h ALA 113 N 1.54 0.35 -0.76 3.77 0.00 -1.20 -3.35 119.26 119.60 1vre h ALA 113 Ca -0.00 -1.19 0.17 0.00 0.00 0.00 0.00 54.91 53.88 1vre h ALA 113 Cb 1.10 0.36 -0.11 0.00 0.00 0.00 0.00 17.79 19.14 1vre h ALA 113 CO 0.06 1.21 0.23 0.52 0.00 0.00 0.00 179.25 181.27 1vre h MET 114 N 0.06 0.31 -0.55 0.00 2.07 -0.77 0.49 114.93 116.53 1vre h MET 114 Ca -0.27 -0.02 0.16 0.00 -2.07 0.00 0.00 59.70 57.50 1vre h MET 114 Cb 2.02 -0.07 -0.02 0.00 -1.87 0.00 0.00 31.60 31.66 1vre h MET 114 CO 0.14 0.20 0.61 1.05 1.07 0.00 0.00 176.91 179.99 1vre h GLU 115 N 0.32 0.00 -1.00 1.72 4.11 -1.69 0.28 114.58 118.31 1vre h GLU 115 Ca 0.44 0.00 0.21 0.00 0.07 0.00 0.00 59.36 60.08 1vre h GLU 115 Cb 0.74 0.00 -0.11 0.00 0.50 0.00 0.00 28.75 29.88 1vre h GLU 115 CO -0.49 0.00 0.61 0.45 0.07 0.00 0.00 179.01 179.64 1vre h HIS 116 N 0.00 1.04 0.00 2.06 3.86 -0.23 1.28 115.15 123.17 1vre h HIS 116 Ca 0.26 0.03 0.00 0.00 -1.16 0.00 0.00 60.37 59.51 1vre h HIS 116 Cb 1.48 -0.31 0.00 0.00 1.06 0.00 0.00 27.41 29.64 1vre h HIS 116 CO 0.00 0.17 -0.01 -0.09 0.86 0.00 0.00 177.93 178.86 1vre h ARG 117 N 0.69 0.00 -1.72 2.45 2.43 -1.10 -3.34 114.38 113.79 1vre h ARG 117 Ca 0.61 0.00 -0.38 0.00 -0.81 0.00 0.00 59.98 59.40 1vre h ARG 117 Cb 1.04 0.00 -0.15 0.00 -0.42 0.00 0.00 29.97 30.44 1vre h ARG 117 CO -0.42 0.00 0.36 0.44 -1.51 0.00 0.00 179.97 178.85 1vre n ILE 118 N -4.31 2.97 -1.68 1.20 -5.35 -1.09 -4.95 119.36 106.16 1vre n ILE 118 Ca -0.00 -2.11 -0.52 0.00 -0.27 0.00 0.00 62.75 59.85 1vre n ILE 118 Cb 0.00 -1.46 -0.06 0.00 -1.74 0.00 0.00 39.64 36.38 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 0.66 1.05 0.00 3.28 0.00 0.44 -0.22 105.19 110.40 1vre n GLY 119 Ca 0.37 0.83 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 3.90 3.11 0.07 -0.02 0.00 -1.26 -4.77 105.19 106.22 1vre n GLY 120 Ca 0.22 -0.89 -0.07 0.00 0.00 0.00 0.00 46.02 45.29 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 -5.12 1.61 1.57 -0.96 -3.40 116.57 110.27 1vre h LYS 121 Ca 0.00 0.00 -0.35 0.00 -1.87 0.00 0.00 60.65 58.43 1vre h LYS 121 Cb 0.00 0.00 0.01 0.00 0.08 0.00 0.00 32.23 32.32 1vre h LYS 121 CO 0.00 0.78 1.09 -0.12 -0.57 0.00 0.00 179.45 180.64 1vre n MET 122 N -3.23 1.01 0.00 3.15 1.56 -0.68 -4.83 117.12 114.10 1vre n MET 122 Ca -0.05 -1.97 0.00 0.00 -0.27 0.00 0.00 57.70 55.40 1vre n MET 122 Cb 0.96 -3.47 0.00 0.00 2.15 0.00 0.00 33.22 32.86 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 13.73 -0.02 -0.10 6.12 0.23 -1.26 -4.70 115.26 129.26 1vre n ASN 123 Ca 0.45 -0.76 -0.10 0.00 -0.53 0.00 0.00 54.58 53.64 1vre n ASN 123 Cb 0.45 0.00 -0.03 0.00 -2.08 0.00 0.00 39.78 38.12 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 -2.00 0.41 -0.47 -2.53 0.00 -1.98 -1.80 119.26 110.88 1vre h ALA 124 Ca 0.00 -0.15 0.05 0.00 0.00 0.00 0.00 54.91 54.81 1vre h ALA 124 Cb 0.00 -0.12 -0.03 0.00 0.00 0.00 0.00 17.79 17.64 1vre h ALA 124 CO 0.00 0.04 0.32 0.00 0.00 0.00 0.00 179.25 179.61 1vre h ALA 125 N 0.94 1.90 0.19 0.00 0.00 -1.96 1.11 119.26 121.44 1vre h ALA 125 Ca 0.10 -0.02 -0.01 0.00 0.00 0.00 0.00 54.91 54.98 1vre h ALA 125 Cb 0.24 -0.11 0.00 0.00 0.00 0.00 0.00 17.79 17.92 1vre h ALA 125 CO -0.00 0.02 -0.09 0.00 0.00 0.00 0.00 179.25 179.18 1vre h ALA 126 N 1.74 -0.25 0.00 0.00 0.00 -1.74 1.08 119.26 120.09 1vre h ALA 126 Ca 0.20 -0.20 -0.08 0.00 0.00 0.00 0.00 54.91 54.83 1vre h ALA 126 Cb 0.27 0.10 -0.01 0.00 0.00 0.00 0.00 17.79 18.14 1vre h ALA 126 CO -0.05 -0.42 -0.36 1.57 0.00 0.00 0.00 179.25 179.99 1vre h LYS 127 N -0.70 0.00 0.23 0.00 2.10 -0.87 -2.20 116.57 115.13 1vre h LYS 127 Ca -0.03 0.00 -0.34 0.00 -2.00 0.00 0.00 60.65 58.28 1vre h LYS 127 Cb 0.49 0.00 0.03 0.00 -0.90 0.00 0.00 32.23 31.85 1vre h LYS 127 CO 0.04 0.36 -1.58 0.22 -2.00 0.00 0.00 179.45 176.49 1vre h ASP 128 N 0.00 0.76 -0.56 7.07 3.58 0.13 -1.31 116.42 126.10 1vre h ASP 128 Ca -0.00 -0.91 -0.02 0.00 0.42 0.00 0.00 57.03 56.52 1vre h ASP 128 Cb 0.80 -0.25 -0.03 0.00 1.72 0.00 0.00 39.33 41.58 1vre h ASP 128 CO 0.05 1.73 0.27 0.00 -2.88 0.00 0.00 179.24 178.41 1vre h ALA 129 N 0.15 0.72 -0.00 -0.78 0.00 0.13 -2.34 119.26 117.13 1vre h ALA 129 Ca -0.29 -0.13 -0.18 0.00 0.00 0.00 0.00 54.91 54.31 1vre h ALA 129 Cb 2.15 -0.22 -0.02 0.00 0.00 0.00 0.00 17.79 19.70 1vre h ALA 129 CO 0.24 0.28 -0.82 -1.49 0.00 0.00 0.00 179.25 177.46 1vre h TRP 130 N 0.75 0.20 -0.50 0.00 6.55 -1.50 -2.48 115.95 118.97 1vre h TRP 130 Ca 0.19 -0.11 0.13 0.00 0.95 0.00 0.00 58.89 60.05 1vre h TRP 130 Cb 0.12 -0.02 -0.02 0.00 -0.86 0.00 0.00 29.16 28.37 1vre h TRP 130 CO -0.00 0.90 0.35 0.00 -1.05 0.00 0.00 178.44 178.64 1vre h ALA 131 N 1.07 2.35 0.00 1.49 0.00 -0.72 1.57 119.26 125.01 1vre h ALA 131 Ca -0.03 -0.01 -0.24 0.00 0.00 0.00 0.00 54.91 54.63 1vre h ALA 131 Cb 1.43 0.01 -0.04 0.00 0.00 0.00 0.00 17.79 19.19 1vre h ALA 131 CO 0.12 -0.49 -1.41 0.00 0.00 0.00 0.00 179.25 177.47 1vre h ALA 132 N 1.75 0.65 0.00 0.00 0.00 -1.24 -3.28 119.26 117.14 1vre h ALA 132 Ca 0.24 -1.16 -0.05 0.00 0.00 0.00 0.00 54.91 53.94 1vre h ALA 132 Cb 0.83 0.26 -0.01 0.00 0.00 0.00 0.00 17.79 18.87 1vre h ALA 132 CO -0.02 1.32 -0.31 0.00 0.00 0.00 0.00 179.25 180.24 1vre h ALA 133 N 1.11 0.06 -1.01 0.00 0.00 -0.32 -3.03 119.26 116.07 1vre h ALA 133 Ca -0.18 -0.56 0.29 0.00 0.00 0.00 0.00 54.91 54.46 1vre h ALA 133 Cb 1.84 0.20 -0.04 0.00 0.00 0.00 0.00 17.79 19.79 1vre h ALA 133 CO 0.08 0.19 0.73 -0.92 0.00 0.00 0.00 179.25 179.34 1vre h TYR 134 N -1.00 0.01 0.00 0.00 5.03 0.19 1.32 116.97 122.52 1vre h TYR 134 Ca -0.08 0.00 -0.15 0.00 2.58 0.00 0.00 58.73 61.08 1vre h TYR 134 Cb 0.84 -0.00 -0.02 0.00 1.55 0.00 0.00 36.73 39.10 1vre h TYR 134 CO 0.15 0.00 -0.71 0.00 -1.32 0.00 0.00 178.16 176.28 1vre h ALA 135 N 1.49 0.58 0.20 1.82 0.00 -1.64 -2.31 119.26 119.41 1vre h ALA 135 Ca 0.48 -0.65 -0.35 0.00 0.00 0.00 0.00 54.91 54.39 1vre h ALA 135 Cb 1.93 -0.11 0.02 0.00 0.00 0.00 0.00 17.79 19.63 1vre h ALA 135 CO -0.01 0.89 -1.69 0.22 0.00 0.00 0.00 179.25 178.67 1vre h ASP 136 N 0.00 0.67 0.40 0.00 3.58 0.15 -1.17 116.42 120.06 1vre h ASP 136 Ca -0.01 -0.92 -0.02 0.00 0.42 0.00 0.00 57.03 56.50 1vre h ASP 136 Cb 1.49 -0.22 0.00 0.00 1.72 0.00 0.00 39.33 42.32 1vre h ASP 136 CO 0.09 1.77 -0.19 0.40 -2.88 0.00 0.00 179.24 178.43 1vre h ILE 137 N 0.12 0.48 -0.28 2.25 2.04 -0.04 -2.82 117.51 119.26 1vre h ILE 137 Ca -0.32 -0.58 -0.14 0.00 1.00 0.00 0.00 64.86 64.83 1vre h ILE 137 Cb 2.12 0.71 -0.01 0.00 -0.74 0.00 0.00 36.82 38.89 1vre h ILE 137 CO 0.20 0.09 -0.38 0.77 0.00 0.00 0.00 178.15 178.83 1vre h SER 138 N -0.92 0.68 -0.12 1.72 4.64 -1.59 -2.55 113.55 115.42 1vre h SER 138 Ca -0.05 -0.30 0.03 0.00 -0.47 0.00 0.00 61.79 61.00 1vre h SER 138 Cb 0.55 -0.19 -0.00 0.00 -0.31 0.00 0.00 62.40 62.44 1vre h SER 138 CO 0.09 0.99 0.21 1.23 -0.87 0.00 0.00 176.83 178.49 1vre h GLY 139 N 1.00 0.00 1.90 -0.77 0.00 -1.23 0.50 103.07 104.47 1vre h GLY 139 Ca 0.05 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.38 1vre h GLY 139 CO 0.08 0.00 0.00 0.00 0.00 0.00 0.00 176.54 176.62 1vre n ALA 140 N -2.17 2.32 0.14 3.60 0.00 -0.96 -3.09 120.51 120.34 1vre n ALA 140 Ca 0.00 -0.11 0.11 0.00 0.00 0.00 0.00 53.44 53.45 1vre n ALA 140 Cb 0.31 -1.46 -0.01 0.00 0.00 0.00 0.00 19.45 18.29 1vre n ALA 140 CO 0.00 0.00 0.00 -0.11 0.00 0.00 0.00 177.50 177.39 1vre n LEU 141 N -1.45 0.73 -0.00 0.00 0.00 0.18 -2.61 117.00 113.83 1vre n LEU 141 Ca 0.08 0.26 0.11 0.00 0.00 0.00 0.00 56.01 56.46 1vre n LEU 141 Cb 0.31 -0.06 0.63 0.00 0.00 0.00 0.00 43.42 44.29 1vre n LEU 141 CO 0.25 -0.15 0.90 -0.38 0.00 0.00 0.00 177.39 178.02 1vre n ILE 142 N -2.56 0.00 -0.10 1.96 -0.00 -1.18 -2.71 119.36 114.77 1vre n ILE 142 Ca -0.00 -0.00 -0.10 0.00 -0.00 0.00 0.00 62.75 62.64 1vre n ILE 142 Cb 0.54 -0.33 -0.15 0.00 -0.00 0.00 0.00 39.64 39.70 1vre n ILE 142 CO 0.00 0.00 0.00 -1.20 -0.00 0.00 0.00 176.55 175.35 1vre n SER 143 N -0.82 0.40 0.05 4.38 7.64 -1.25 -4.43 113.62 119.60 1vre n SER 143 Ca 0.16 -0.01 0.08 0.00 1.01 0.00 0.00 58.87 60.11 1vre n SER 143 Cb 0.07 0.83 -0.07 0.00 -1.01 0.00 0.00 64.21 64.04 1vre n SER 143 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 1vre n GLY 144 N 1.86 -1.28 0.00 0.23 0.00 -1.22 -4.87 105.19 99.91 1vre n GLY 144 Ca -0.33 -0.29 0.00 0.00 0.00 0.00 0.00 46.02 45.40 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 -2.61 0.00 -4.08 0.99 7.94 -1.10 -1.37 117.00 116.77 1vre n LEU 145 Ca -0.04 0.00 -0.32 0.00 -1.11 0.00 0.00 56.01 54.53 1vre n LEU 145 Cb 0.63 0.00 -0.01 0.00 0.53 0.00 0.00 43.42 44.58 1vre n LEU 145 CO 0.42 0.00 -0.02 0.00 -1.11 0.00 0.00 177.39 176.69 1vre n GLN 146 N 0.00 -3.97 -0.46 1.96 3.00 -1.26 -4.78 117.38 111.87 1vre n GLN 146 Ca 0.00 0.45 0.00 0.00 -0.01 0.00 0.00 57.00 57.44 1vre n GLN 146 Cb 0.00 -5.14 0.00 0.00 0.00 0.00 0.00 30.24 25.10 1vre n GLN 146 CO 0.00 0.00 0.00 0.45 0.00 0.00 0.00 177.06 177.51