#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1vre s LEU 2 N 0.00 3.05 0.00 0.99 1.43 -1.26 -5.00 118.68 117.89 1vre s LEU 2 Ca 0.00 -0.35 0.00 0.00 -1.03 0.00 0.00 54.13 52.75 1vre s LEU 2 Cb 0.00 -2.11 0.00 0.00 0.03 0.00 0.00 46.19 44.11 1vre s LEU 2 CO 0.00 -1.67 0.00 -1.54 0.23 0.00 0.00 176.35 173.37 1vre n SER 3 N -2.68 1.81 0.12 2.29 3.41 -1.26 -4.96 113.62 112.35 1vre n SER 3 Ca 0.14 -0.65 0.05 0.00 -0.26 0.00 0.00 58.87 58.15 1vre n SER 3 Cb 0.60 0.00 0.02 0.00 -0.26 0.00 0.00 64.21 64.58 1vre n SER 3 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 1vre h ALA 4 N 0.90 0.70 0.04 7.33 0.00 -2.00 -3.11 119.26 123.14 1vre h ALA 4 Ca 0.00 -0.38 -0.36 0.00 0.00 0.00 0.00 54.91 54.17 1vre h ALA 4 Cb 0.00 0.03 -0.05 0.00 0.00 0.00 0.00 17.79 17.78 1vre h ALA 4 CO 0.00 0.47 -2.12 0.00 0.00 0.00 0.00 179.25 177.59 1vre n ALA 5 N -2.23 1.26 0.06 0.00 0.00 -1.26 -3.89 120.51 114.45 1vre n ALA 5 Ca -0.01 -0.89 -0.13 0.00 0.00 0.00 0.00 53.44 52.42 1vre n ALA 5 Cb 0.69 -0.49 -0.08 0.00 0.00 0.00 0.00 19.45 19.57 1vre n ALA 5 CO 0.00 0.00 0.00 1.96 0.00 0.00 0.00 177.50 179.46 1vre h GLN 6 N 0.03 -0.14 -0.74 0.00 4.20 -1.96 -0.91 115.11 115.59 1vre h GLN 6 Ca -0.45 0.01 0.18 0.00 0.06 0.00 0.00 58.65 58.44 1vre h GLN 6 Cb 2.03 0.03 -0.04 0.00 0.30 0.00 0.00 27.48 29.80 1vre h GLN 6 CO 0.03 0.13 0.51 0.07 -0.67 0.00 0.00 178.83 178.90 1vre h ARG 7 N -0.40 0.21 -0.17 1.46 0.11 -1.74 0.15 114.38 114.00 1vre h ARG 7 Ca -0.01 -0.01 -0.11 0.00 0.10 0.00 0.00 59.98 59.94 1vre h ARG 7 Cb 0.33 -0.05 0.00 0.00 1.11 0.00 0.00 29.97 31.36 1vre h ARG 7 CO 0.02 0.14 -0.34 0.37 0.10 0.00 0.00 179.97 180.26 1vre h GLN 8 N 0.21 0.52 -0.04 0.08 5.75 -1.55 -2.21 115.11 117.88 1vre h GLN 8 Ca 0.36 -0.34 -0.06 0.00 -0.15 0.00 0.00 58.65 58.47 1vre h GLN 8 Cb 1.11 0.04 -0.01 0.00 1.07 0.00 0.00 27.48 29.70 1vre h GLN 8 CO -0.07 0.95 -0.23 0.28 -2.65 0.00 0.00 178.83 177.10 1vre h VAL 9 N 0.16 1.19 -0.31 2.39 2.07 0.50 -1.05 116.25 121.21 1vre h VAL 9 Ca 0.01 -0.89 -0.14 0.00 0.82 0.00 0.00 66.70 66.50 1vre h VAL 9 Cb 0.93 1.42 -0.00 0.00 -1.52 0.00 0.00 31.29 32.12 1vre h VAL 9 CO 0.08 0.26 -0.34 0.58 0.02 0.00 0.00 177.57 178.16 1vre h VAL 10 N 0.07 1.29 0.00 2.57 2.07 -0.69 -1.84 116.25 119.73 1vre h VAL 10 Ca 0.01 -1.52 0.00 0.00 0.82 0.00 0.00 66.70 66.01 1vre h VAL 10 Cb 0.45 1.55 0.00 0.00 -1.52 0.00 0.00 31.29 31.78 1vre h VAL 10 CO 0.03 0.49 0.00 0.00 0.02 0.00 0.00 177.57 178.11 1vre n ALA 11 N -2.52 2.02 0.02 1.67 0.00 -0.84 -2.21 120.51 118.66 1vre n ALA 11 Ca -0.04 0.02 -0.13 0.00 0.00 0.00 0.00 53.44 53.30 1vre n ALA 11 Cb 0.51 -1.44 -0.14 0.00 0.00 0.00 0.00 19.45 18.38 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 0.18 1.14 0.00 0.02 -0.90 -3.23 113.55 110.76 1vre h SER 12 Ca 0.00 -0.31 0.00 0.00 -0.84 0.00 0.00 61.79 60.64 1vre h SER 12 Cb 0.58 -0.06 0.00 0.00 0.14 0.00 0.00 62.40 63.06 1vre h SER 12 CO 0.00 1.27 -0.44 0.71 -1.14 0.00 0.00 176.83 177.23 1vre h THR 13 N 0.03 0.00 0.00 -2.27 1.35 -1.28 -3.27 112.91 107.47 1vre h THR 13 Ca -0.26 -0.57 0.00 0.00 -0.55 0.00 0.00 66.41 65.03 1vre h THR 13 Cb 1.99 1.30 0.00 0.00 -1.73 0.00 0.00 68.15 69.70 1vre h THR 13 CO 0.11 0.00 -0.66 -0.25 -0.25 0.00 0.00 175.52 174.47 1vre h TRP 14 N 0.00 0.00 -0.00 4.73 7.01 -1.55 -3.12 115.95 123.02 1vre h TRP 14 Ca 0.00 0.00 0.00 0.00 2.11 0.00 0.00 58.89 61.00 1vre h TRP 14 Cb 0.79 0.00 0.00 0.00 -2.10 0.00 0.00 29.16 27.85 1vre h TRP 14 CO 0.00 0.00 0.00 1.63 -2.79 0.00 0.00 178.44 177.28 1vre n LYS 15 N -2.67 1.07 -0.01 2.65 5.02 -1.22 -2.41 118.16 120.58 1vre n LYS 15 Ca 0.02 -0.10 -0.05 0.00 -2.02 0.00 0.00 58.31 56.16 1vre n LYS 15 Cb 0.52 -1.48 -0.02 0.00 -0.02 0.00 0.00 35.03 34.03 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 -0.87 0.73 0.08 4.39 8.00 -1.23 -4.26 116.55 123.40 1vre n ASP 16 Ca 0.23 0.11 -0.01 0.00 0.71 0.00 0.00 54.79 55.83 1vre n ASP 16 Cb 0.13 -0.26 0.27 0.00 -0.02 0.00 0.00 41.12 41.23 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 -0.21 1.26 -0.87 0.53 2.04 -1.69 -2.67 117.51 115.91 1vre h ILE 17 Ca -0.09 -1.26 -0.48 0.00 1.00 0.00 0.00 64.86 64.02 1vre h ILE 17 Cb 0.79 1.48 -0.27 0.00 -0.74 0.00 0.00 36.82 38.08 1vre h ILE 17 CO -0.06 0.38 0.51 0.00 0.00 0.00 0.00 178.15 178.99 1vre n ALA 18 N -2.48 5.47 -1.00 1.87 0.00 -1.01 -3.82 120.51 119.54 1vre n ALA 18 Ca -0.01 -3.07 0.00 0.00 0.00 0.00 0.00 53.44 50.36 1vre n ALA 18 Cb 0.40 -1.33 0.00 0.00 0.00 0.00 0.00 19.45 18.52 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 -1.10 -2.12 0.12 0.00 0.00 -1.01 -2.64 105.19 98.44 1vre n GLY 19 Ca 0.55 0.12 -0.15 0.00 0.00 0.00 0.00 46.02 46.54 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 -0.26 1.35 0.19 1.61 3.41 -1.26 -4.10 113.62 114.57 1vre n SER 20 Ca 0.00 0.10 0.14 0.00 -0.26 0.00 0.00 58.87 58.86 1vre n SER 20 Cb 0.00 -0.15 0.55 0.00 -0.26 0.00 0.00 64.21 64.35 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 0.02 0.00 -2.08 4.04 3.04 -1.84 -3.46 116.42 116.13 1vre h ASP 21 Ca -0.47 0.00 -0.39 0.00 -3.24 0.00 0.00 57.03 52.93 1vre h ASP 21 Cb 2.04 0.00 -0.09 0.00 -1.04 0.00 0.00 39.33 40.24 1vre h ASP 21 CO 0.02 0.00 -0.42 -3.20 -2.04 0.00 0.00 179.24 173.60 1vre n ASN 22 N -2.63 -5.29 -0.05 4.15 4.05 -1.08 -1.39 115.26 113.01 1vre n ASN 22 Ca 0.02 0.26 0.00 0.00 0.45 0.00 0.00 54.58 55.31 1vre n ASN 22 Cb 0.29 -4.57 0.00 0.00 1.23 0.00 0.00 39.78 36.73 1vre n ASN 22 CO 0.00 0.00 0.00 0.61 -3.05 0.00 0.00 177.26 174.82 1vre n GLY 23 N -0.65 1.29 0.02 8.20 0.00 -1.25 -4.03 105.19 108.76 1vre n GLY 23 Ca -0.21 -0.30 -0.00 0.00 0.00 0.00 0.00 46.02 45.51 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 0.00 -0.22 4.61 0.00 -1.50 -3.09 119.26 119.07 1vre h ALA 24 Ca 0.00 -0.04 0.06 0.00 0.00 0.00 0.00 54.91 54.93 1vre h ALA 24 Cb 0.36 0.02 -0.01 0.00 0.00 0.00 0.00 17.79 18.16 1vre h ALA 24 CO 0.00 0.02 0.41 0.78 0.00 0.00 0.00 179.25 180.46 1vre h GLY 25 N -0.37 0.00 1.82 0.00 0.00 -1.93 0.39 103.07 102.98 1vre h GLY 25 Ca 0.00 0.00 -0.18 0.00 0.00 0.00 0.00 47.33 47.15 1vre h GLY 25 CO 0.00 0.00 -0.78 -2.08 0.00 0.00 0.00 176.54 173.68 1vre h VAL 26 N 0.00 1.48 0.00 4.60 2.07 -1.92 -2.71 116.25 119.76 1vre h VAL 26 Ca 0.10 -2.45 -0.03 0.00 0.82 0.00 0.00 66.70 65.14 1vre h VAL 26 Cb 0.92 2.33 -0.00 0.00 -1.52 0.00 0.00 31.29 33.02 1vre h VAL 26 CO -0.00 0.71 -0.26 1.23 0.02 0.00 0.00 177.57 179.27 1vre h GLY 27 N 1.83 0.00 1.73 2.17 0.00 -0.17 -1.06 103.07 107.58 1vre h GLY 27 Ca -0.03 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.30 1vre h GLY 27 CO 0.12 0.00 0.13 0.07 0.00 0.00 0.00 176.54 176.86 1vre h LYS 28 N -1.00 0.00 0.00 4.80 2.10 -1.50 0.32 116.57 121.29 1vre h LYS 28 Ca -0.05 0.00 -0.36 0.00 -2.00 0.00 0.00 60.65 58.24 1vre h LYS 28 Cb 0.58 0.00 -0.07 0.00 -0.90 0.00 0.00 32.23 31.84 1vre h LYS 28 CO -0.03 0.00 -2.28 -0.85 -2.00 0.00 0.00 179.45 174.29 1vre n GLU 29 N -2.94 0.68 -0.07 0.07 -0.00 -1.02 -3.80 120.64 113.56 1vre n GLU 29 Ca -0.03 0.05 -0.08 0.00 -0.00 0.00 0.00 57.16 57.10 1vre n GLU 29 Cb 0.19 -1.57 -0.06 0.00 -0.00 0.00 0.00 31.44 30.01 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 0.86 0.08 0.00 -1.00 -0.64 -1.51 116.94 113.72 1vre h PHE 31 Ca -0.04 0.02 0.02 0.00 2.81 0.00 0.00 57.97 60.79 1vre h PHE 31 Cb 0.55 -0.27 -0.04 0.00 3.61 0.00 0.00 35.95 39.80 1vre h PHE 31 CO 0.08 0.34 -0.28 1.79 -1.61 0.00 0.00 178.31 178.63 1vre h THR 32 N 0.74 0.38 -0.33 -1.55 1.35 -1.68 0.31 112.91 112.13 1vre h THR 32 Ca 0.44 0.00 0.04 0.00 -0.55 0.00 0.00 66.41 66.34 1vre h THR 32 Cb 0.64 0.38 -0.04 0.00 -1.73 0.00 0.00 68.15 67.40 1vre h THR 32 CO -0.20 0.00 0.11 0.11 -0.25 0.00 0.00 175.52 175.29 1vre h LYS 33 N -0.47 0.25 -0.07 4.72 1.57 -1.33 0.19 116.57 121.42 1vre h LYS 33 Ca 0.04 -0.01 0.03 0.00 -1.87 0.00 0.00 60.65 58.84 1vre h LYS 33 Cb 0.52 -0.06 -0.04 0.00 0.08 0.00 0.00 32.23 32.73 1vre h LYS 33 CO -0.19 0.16 -0.16 0.35 -0.57 0.00 0.00 179.45 179.04 1vre h PHE 34 N 0.26 -0.42 -0.90 -1.35 3.57 -0.68 0.22 116.94 117.63 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 0.12 0.20 -0.05 0.00 2.79 0.00 0.00 35.95 39.01 1vre h PHE 34 CO -0.14 -0.24 0.59 -0.07 -2.23 0.00 0.00 178.31 176.22 1vre h LEU 35 N -0.23 1.00 0.76 0.59 3.38 0.11 0.90 115.31 121.81 1vre h LEU 35 Ca 0.08 -0.02 -0.04 0.00 0.09 0.00 0.00 57.88 57.99 1vre h LEU 35 Cb 0.34 -0.24 0.01 0.00 0.09 0.00 0.00 40.66 40.86 1vre h LEU 35 CO -0.21 0.70 -0.37 -1.28 0.09 0.00 0.00 178.44 177.38 1vre h SER 36 N 1.17 -0.86 0.22 -0.43 0.87 0.35 -2.89 113.55 111.98 1vre h SER 36 Ca 0.34 0.03 -0.02 0.00 -1.23 0.00 0.00 61.79 60.91 1vre h SER 36 Cb -0.06 0.22 -0.00 0.00 -0.44 0.00 0.00 62.40 62.12 1vre h SER 36 CO -0.10 -0.55 -0.11 0.00 -0.53 0.00 0.00 176.83 175.54 1vre h ALA 37 N -1.39 1.48 -3.75 6.23 0.00 -0.50 -3.37 119.26 117.96 1vre h ALA 37 Ca -0.10 -0.10 -0.67 0.00 0.00 0.00 0.00 54.91 54.03 1vre h ALA 37 Cb 0.78 -0.02 -0.37 0.00 0.00 0.00 0.00 17.79 18.19 1vre h ALA 37 CO 0.17 0.14 -0.76 -1.01 0.00 0.00 0.00 179.25 177.79 1vre s HIS 38 N -4.45 3.39 -0.16 0.00 3.76 0.31 -4.94 115.29 113.20 1vre s HIS 38 Ca -0.04 -2.40 0.18 0.00 -0.15 0.00 0.00 55.06 52.65 1vre s HIS 38 Cb 0.14 -2.22 -0.07 0.00 1.11 0.00 0.00 32.58 31.55 1vre s HIS 38 CO 0.62 -0.89 0.98 0.45 -0.85 0.00 0.00 174.74 175.05 1vre h HIS 39 N 7.78 0.00 0.00 1.40 -0.00 -1.73 -3.29 115.15 119.32 1vre h HIS 39 Ca -0.16 0.00 0.00 0.00 -0.00 0.00 0.00 60.37 60.21 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 0.60 0.43 0.00 0.38 -0.00 0.00 0.00 177.93 179.33 1vre h ASP 40 N 0.00 0.00 0.42 2.45 2.03 -1.92 -1.72 116.42 117.68 1vre h ASP 40 Ca -0.10 0.00 0.00 0.00 -0.73 0.00 0.00 57.03 56.20 1vre h ASP 40 Cb 1.42 0.00 0.00 0.00 -0.83 0.00 0.00 39.33 39.92 1vre h ASP 40 CO 0.04 0.00 -1.34 0.23 -1.03 0.00 0.00 179.24 177.14 1vre n MET 41 N -2.95 0.48 0.30 4.15 2.81 -1.24 -4.14 117.12 116.53 1vre n MET 41 Ca -0.01 -0.03 -0.14 0.00 -1.81 0.00 0.00 57.70 55.71 1vre n MET 41 Cb 0.19 -1.63 -0.07 0.00 -0.71 0.00 0.00 33.22 31.00 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 2.24 -1.16 -0.28 3.04 0.00 -1.39 0.52 119.26 122.24 1vre h ALA 42 Ca 0.00 -0.18 0.08 0.00 0.00 0.00 0.00 54.91 54.81 1vre h ALA 42 Cb 0.88 0.50 -0.01 0.00 0.00 0.00 0.00 17.79 19.16 1vre h ALA 42 CO 0.00 -1.13 0.28 0.00 0.00 0.00 0.00 179.25 178.40 1vre h ALA 43 N -1.34 1.99 -0.02 0.00 0.00 -1.65 0.11 119.26 118.35 1vre h ALA 43 Ca -0.07 -0.01 -0.03 0.00 0.00 0.00 0.00 54.91 54.80 1vre h ALA 43 Cb 0.70 0.02 0.00 0.00 0.00 0.00 0.00 17.79 18.51 1vre h ALA 43 CO 0.06 -0.43 -0.10 0.28 0.00 0.00 0.00 179.25 179.06 1vre h VAL 44 N 0.00 1.51 0.00 0.00 2.07 -1.40 -3.18 116.25 115.25 1vre h VAL 44 Ca 0.13 -1.65 -0.06 0.00 0.82 0.00 0.00 66.70 65.95 1vre h VAL 44 Cb 0.70 2.56 -0.01 0.00 -1.52 0.00 0.00 31.29 33.02 1vre h VAL 44 CO -0.00 0.44 -0.28 -0.26 0.02 0.00 0.00 177.57 177.49 1vre h PHE 45 N -0.53 0.00 0.00 1.57 0.04 0.13 -3.41 116.94 114.73 1vre h PHE 45 Ca -0.01 0.00 0.00 0.00 2.80 0.00 0.00 57.97 60.76 1vre h PHE 45 Cb 0.77 0.00 0.00 0.00 2.20 0.00 0.00 35.95 38.92 1vre h PHE 45 CO 0.16 0.28 0.00 0.41 -0.60 0.00 0.00 178.31 178.56 1vre n GLY 46 N -0.30 1.86 3.50 -1.45 0.00 0.27 -5.04 105.19 104.03 1vre n GLY 46 Ca -0.01 0.00 -0.24 0.00 0.00 0.00 0.00 46.02 45.77 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 2.18 -0.04 1.61 0.08 -0.43 -4.98 117.98 114.40 1vre s PHE 47 Ca 0.00 -0.71 0.19 0.00 0.12 0.00 0.00 56.93 56.52 1vre s PHE 47 Cb 0.00 -1.37 -0.29 0.00 -0.57 0.00 0.00 43.02 40.80 1vre s PHE 47 CO 0.00 0.32 0.38 0.45 -0.10 0.00 0.00 175.22 176.27 1vre n SER 48 N -0.74 0.70 -0.39 1.36 2.88 -1.26 -3.32 113.62 112.85 1vre n SER 48 Ca -0.05 0.00 0.00 0.00 -1.33 0.00 0.00 58.87 57.49 1vre n SER 48 Cb 0.65 1.77 0.00 0.00 -0.75 0.00 0.00 64.21 65.88 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 1.48 1.71 1.99 0.46 0.00 -1.26 -4.95 105.19 104.62 1vre n GLY 49 Ca -0.06 -0.78 -0.21 0.00 0.00 0.00 0.00 46.02 44.98 1vre n GLY 49 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1vre n ALA 50 N -3.00 5.18 -1.74 4.61 0.00 -1.26 -4.03 120.51 120.27 1vre n ALA 50 Ca 0.00 -2.31 0.04 0.00 0.00 0.00 0.00 53.44 51.17 1vre n ALA 50 Cb 0.00 -1.43 0.05 0.00 0.00 0.00 0.00 19.45 18.07 1vre n ALA 50 CO 0.00 0.00 0.00 -1.13 0.00 0.00 0.00 177.50 176.37 1vre n SER 51 N -0.54 0.87 -4.68 0.00 3.41 -1.26 -4.98 113.62 106.45 1vre n SER 51 Ca 0.45 -2.42 -0.35 0.00 -0.26 0.00 0.00 58.87 56.29 1vre n SER 51 Cb 1.06 -0.29 -0.09 0.00 -0.26 0.00 0.00 64.21 64.62 1vre n SER 51 CO 0.00 0.00 0.00 -1.81 -0.16 0.00 0.00 175.04 173.07 1vre s ASP 52 N -1.75 5.28 0.43 4.04 1.11 -1.26 -4.97 116.67 119.54 1vre s ASP 52 Ca 0.14 0.15 0.30 0.00 0.18 0.00 0.00 52.55 53.32 1vre s ASP 52 Cb 0.13 -1.51 1.45 0.00 1.07 0.00 0.00 42.92 44.06 1vre s ASP 52 CO -0.01 0.37 1.90 1.55 1.18 0.00 0.00 175.17 180.16 1vre h PRO 53 N 5.23 0.00 -1.00 8.23 0.13 -1.97 -2.64 132.00 139.98 1vre h PRO 53 Ca -0.50 0.00 0.09 0.00 -0.87 0.00 0.00 66.00 64.72 1vre h PRO 53 Cb 1.19 0.00 -0.07 0.00 0.13 0.00 0.00 31.00 32.25 1vre h PRO 53 CO 0.55 0.00 0.64 0.78 -0.23 0.00 0.00 178.00 179.74 1vre h GLY 54 N 0.99 1.55 0.13 1.56 0.00 -1.93 -0.11 103.07 105.25 1vre h GLY 54 Ca 0.00 -0.45 0.21 0.00 0.00 0.00 0.00 47.33 47.09 1vre h GLY 54 CO 0.00 0.27 0.62 -2.08 0.00 0.00 0.00 176.54 175.35 1vre h VAL 55 N 1.09 0.67 0.00 4.60 2.07 -1.85 1.45 116.25 124.27 1vre h VAL 55 Ca 0.45 -0.21 0.00 0.00 0.82 0.00 0.00 66.70 67.77 1vre h VAL 55 Cb 0.30 0.01 0.00 0.00 -1.52 0.00 0.00 31.29 30.08 1vre h VAL 55 CO -0.20 0.11 0.00 0.00 0.02 0.00 0.00 177.57 177.49 1vre n ALA 56 N -2.41 2.05 0.00 1.67 0.00 -0.06 -2.45 120.51 119.31 1vre n ALA 56 Ca 0.23 -0.09 -0.03 0.00 0.00 0.00 0.00 53.44 53.54 1vre n ALA 56 Cb 0.66 -1.33 -0.11 0.00 0.00 0.00 0.00 19.45 18.67 1vre n ALA 56 CO 0.00 0.00 0.00 -3.47 0.00 0.00 0.00 177.50 174.03 1vre n ASP 57 N -1.33 0.74 -0.04 0.00 2.03 0.49 -3.49 116.55 114.94 1vre n ASP 57 Ca 0.09 0.33 -0.03 0.00 0.52 0.00 0.00 54.79 55.70 1vre n ASP 57 Cb 0.18 0.26 -0.01 0.00 -0.72 0.00 0.00 41.12 40.83 1vre n ASP 57 CO 0.00 0.00 0.00 0.18 -1.92 0.00 0.00 177.20 175.46 1vre n LEU 58 N -2.89 1.10 -0.31 -2.67 4.77 -1.03 -3.58 117.00 112.38 1vre n LEU 58 Ca -0.14 0.45 0.11 0.00 -0.03 0.00 0.00 56.01 56.40 1vre n LEU 58 Cb 0.92 -0.71 0.29 0.00 -2.33 0.00 0.00 43.42 41.58 1vre n LEU 58 CO 0.44 -0.47 1.10 1.23 -1.33 0.00 0.00 177.39 178.36 1vre h GLY 59 N -0.60 1.55 2.00 -0.72 0.00 -1.72 1.74 103.07 105.33 1vre h GLY 59 Ca 0.00 -0.25 -0.01 0.00 0.00 0.00 0.00 47.33 47.07 1vre h GLY 59 CO 0.00 -0.14 -0.05 0.00 0.00 0.00 0.00 176.54 176.34 1vre h ALA 60 N 1.64 1.29 0.00 3.60 0.00 -1.75 -2.17 119.26 121.88 1vre h ALA 60 Ca 0.53 -0.05 -0.28 0.00 0.00 0.00 0.00 54.91 55.11 1vre h ALA 60 Cb 0.89 -0.01 -0.05 0.00 0.00 0.00 0.00 17.79 18.62 1vre h ALA 60 CO -0.44 0.07 -2.21 1.63 0.00 0.00 0.00 179.25 178.30 1vre n LYS 61 N -3.58 0.91 0.21 0.00 5.02 0.30 -4.29 118.16 116.74 1vre n LYS 61 Ca -0.02 -0.04 -0.13 0.00 -2.02 0.00 0.00 58.31 56.10 1vre n LYS 61 Cb 0.16 -1.48 -0.07 0.00 -0.02 0.00 0.00 35.03 33.63 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 0.45 -1.03 -0.18 2.07 0.25 -3.01 116.25 114.80 1vre h VAL 62 Ca -0.42 -0.53 0.27 0.00 0.82 0.00 0.00 66.70 66.83 1vre h VAL 62 Cb 1.94 0.66 -0.11 0.00 -1.52 0.00 0.00 31.29 32.25 1vre h VAL 62 CO 0.02 0.08 0.63 -0.07 0.02 0.00 0.00 177.57 178.25 1vre h LEU 63 N -0.93 0.56 -0.89 2.57 4.07 -1.63 0.35 115.31 119.41 1vre h LEU 63 Ca -0.06 0.12 0.18 0.00 0.08 0.00 0.00 57.88 58.20 1vre h LEU 63 Cb 0.56 0.03 -0.11 0.00 1.08 0.00 0.00 40.66 42.23 1vre h LEU 63 CO 0.10 0.07 0.45 0.00 -1.08 0.00 0.00 178.44 177.97 1vre h ALA 64 N 1.69 1.40 -0.52 1.53 0.00 -1.66 0.46 119.26 122.15 1vre h ALA 64 Ca 0.64 0.11 -0.03 0.00 0.00 0.00 0.00 54.91 55.63 1vre h ALA 64 Cb 1.42 0.04 -0.02 0.00 0.00 0.00 0.00 17.79 19.22 1vre h ALA 64 CO -0.41 -0.18 0.18 0.37 0.00 0.00 0.00 179.25 179.21 1vre h GLN 65 N 0.56 0.76 -0.40 0.00 5.75 -0.33 -0.75 115.11 120.69 1vre h GLN 65 Ca 0.52 -0.12 -0.10 0.00 -0.15 0.00 0.00 58.65 58.80 1vre h GLN 65 Cb 0.85 -0.13 -0.02 0.00 1.07 0.00 0.00 27.48 29.25 1vre h GLN 65 CO -0.43 0.64 -0.16 0.82 -2.65 0.00 0.00 178.83 177.06 1vre h ILE 66 N 0.74 1.26 -0.09 2.39 2.04 -0.07 -1.02 117.51 122.77 1vre h ILE 66 Ca 0.18 -1.23 -0.02 0.00 1.00 0.00 0.00 64.86 64.79 1vre h ILE 66 Cb 0.19 1.12 -0.00 0.00 -0.74 0.00 0.00 36.82 37.39 1vre h ILE 66 CO -0.01 0.41 -0.03 1.23 0.00 0.00 0.00 178.15 179.75 1vre h GLY 67 N 0.97 0.19 2.00 5.37 0.00 -0.35 0.26 103.07 111.52 1vre h GLY 67 Ca 0.11 -0.16 -0.01 0.00 0.00 0.00 0.00 47.33 47.26 1vre h GLY 67 CO 0.04 0.15 -0.06 -2.08 0.00 0.00 0.00 176.54 174.60 1vre h VAL 68 N -0.17 0.84 0.06 4.60 2.07 -1.04 -1.76 116.25 120.85 1vre h VAL 68 Ca 0.02 -0.21 -0.27 0.00 0.82 0.00 0.00 66.70 67.06 1vre h VAL 68 Cb 0.45 1.12 -0.02 0.00 -1.52 0.00 0.00 31.29 31.32 1vre h VAL 68 CO 0.01 0.06 -1.39 0.00 0.02 0.00 0.00 177.57 176.26 1vre h ALA 69 N 1.94 0.38 0.00 1.67 0.00 -0.85 -3.26 119.26 119.14 1vre h ALA 69 Ca -0.00 -1.10 -0.02 0.00 0.00 0.00 0.00 54.91 53.79 1vre h ALA 69 Cb 0.11 0.17 -0.00 0.00 0.00 0.00 0.00 17.79 18.08 1vre h ALA 69 CO 0.01 1.24 -0.09 0.28 0.00 0.00 0.00 179.25 180.69 1vre h VAL 70 N 0.04 0.33 0.00 0.00 2.07 0.37 -1.74 116.25 117.32 1vre h VAL 70 Ca -0.18 -0.54 0.00 0.00 0.82 0.00 0.00 66.70 66.80 1vre h VAL 70 Cb 1.94 1.40 0.00 0.00 -1.52 0.00 0.00 31.29 33.11 1vre h VAL 70 CO 0.14 0.09 0.00 -1.20 0.02 0.00 0.00 177.57 176.62 1vre n SER 71 N -3.37 0.32 0.00 0.57 7.64 -0.93 -4.42 113.62 113.43 1vre n SER 71 Ca -0.01 0.60 0.00 0.00 1.01 0.00 0.00 58.87 60.47 1vre n SER 71 Cb 0.26 -0.66 0.00 0.00 -1.01 0.00 0.00 64.21 62.80 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 -1.87 0.00 0.00 1.43 8.25 -0.68 -4.97 115.22 117.37 1vre n HIS 72 Ca 0.02 0.00 0.00 0.00 -0.26 0.00 0.00 57.72 57.48 1vre n HIS 72 Cb 0.15 0.00 0.00 0.00 1.12 0.00 0.00 29.99 31.26 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 -0.61 0.00 -0.05 2.41 4.77 -1.04 -3.38 117.00 119.10 1vre n LEU 73 Ca 0.00 0.00 0.23 0.00 -0.03 0.00 0.00 56.01 56.21 1vre n LEU 73 Cb 0.00 0.00 0.70 0.00 -2.33 0.00 0.00 43.42 41.79 1vre n LEU 73 CO 0.00 0.00 1.21 1.23 -1.33 0.00 0.00 177.39 178.50 1vre h GLY 74 N 0.00 0.00 -2.02 -0.72 0.00 -1.91 -3.40 103.07 95.01 1vre h GLY 74 Ca 0.00 0.00 -0.49 0.00 0.00 0.00 0.00 47.33 46.84 1vre h GLY 74 CO 0.00 0.00 0.10 0.99 0.00 0.00 0.00 176.54 177.63 1vre s ASP 75 N -6.00 6.21 -0.43 0.19 1.01 -1.22 -5.05 116.67 111.39 1vre s ASP 75 Ca -0.05 0.88 0.08 0.00 0.71 0.00 0.00 52.55 54.17 1vre s ASP 75 Cb 0.20 -2.19 0.27 0.00 1.01 0.00 0.00 42.92 42.21 1vre s ASP 75 CO 0.74 -0.61 0.74 -1.84 0.21 0.00 0.00 175.17 174.41 1vre n GLU 76 N -2.27 0.81 0.00 8.23 0.00 -1.26 -4.85 120.64 121.30 1vre n GLU 76 Ca 0.01 -2.62 0.00 0.00 0.00 0.00 0.00 57.16 54.55 1vre n GLU 76 Cb 0.55 -1.35 0.00 0.00 0.00 0.00 0.00 31.44 30.65 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 1.19 0.00 0.00 -1.84 0.00 -1.26 -4.91 105.19 98.37 1vre n GLY 77 Ca 0.16 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.18 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 -2.45 2.41 -0.19 1.61 4.81 -1.26 -4.51 118.16 118.59 1vre n LYS 78 Ca 0.00 0.00 -0.02 0.00 -0.87 0.00 0.00 58.31 57.42 1vre n LYS 78 Cb 0.34 -0.95 0.05 0.00 0.02 0.00 0.00 35.03 34.49 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 -0.03 0.00 1.64 4.05 -1.91 0.33 114.93 119.01 1vre h MET 79 Ca 0.00 0.00 -0.12 0.00 -0.28 0.00 0.00 59.70 59.30 1vre h MET 79 Cb 0.54 0.01 -0.02 0.00 -0.80 0.00 0.00 31.60 31.33 1vre h MET 79 CO 0.00 -0.02 -0.57 0.28 0.23 0.00 0.00 176.91 176.83 1vre h VAL 80 N -0.04 1.35 -0.61 -5.77 2.07 -1.92 -2.35 116.25 108.99 1vre h VAL 80 Ca 0.27 -2.00 -0.05 0.00 0.82 0.00 0.00 66.70 65.75 1vre h VAL 80 Cb 0.45 2.09 -0.03 0.00 -1.52 0.00 0.00 31.29 32.29 1vre h VAL 80 CO -0.61 0.56 0.19 0.00 0.02 0.00 0.00 177.57 177.73 1vre h ALA 81 N 1.43 0.80 0.03 1.67 0.00 -0.72 0.71 119.26 123.18 1vre h ALA 81 Ca -0.01 -0.20 -0.00 0.00 0.00 0.00 0.00 54.91 54.70 1vre h ALA 81 Cb 1.05 -0.24 0.00 0.00 0.00 0.00 0.00 17.79 18.60 1vre h ALA 81 CO 0.07 0.47 -0.02 0.93 0.00 0.00 0.00 179.25 180.71 1vre h GLU 82 N 0.87 -0.04 -0.74 0.00 5.08 -0.65 -2.28 114.58 116.82 1vre h GLU 82 Ca 0.20 0.00 -0.03 0.00 -1.00 0.00 0.00 59.36 58.53 1vre h GLU 82 Cb 0.29 0.01 -0.03 0.00 0.50 0.00 0.00 28.75 29.51 1vre h GLU 82 CO -0.01 0.52 0.33 0.52 -1.00 0.00 0.00 179.01 179.38 1vre h MET 83 N -0.64 1.07 -0.81 2.33 2.86 -1.38 -1.66 114.93 116.70 1vre h MET 83 Ca -0.00 -0.16 0.01 0.00 -2.06 0.00 0.00 59.70 57.48 1vre h MET 83 Cb 0.58 -0.19 -0.04 0.00 0.06 0.00 0.00 31.60 32.01 1vre h MET 83 CO 0.01 0.84 0.53 -0.22 1.06 0.00 0.00 176.91 179.13 1vre h LYS 84 N 1.06 1.07 -0.44 1.72 1.63 0.46 -1.83 116.57 120.24 1vre h LYS 84 Ca 0.25 -0.07 -0.11 0.00 -0.85 0.00 0.00 60.65 59.87 1vre h LYS 84 Cb 0.14 -0.24 -0.01 0.00 -0.60 0.00 0.00 32.23 31.52 1vre h LYS 84 CO -0.03 0.71 -0.16 0.00 -3.45 0.00 0.00 179.45 176.52 1vre h ALA 85 N 1.49 0.61 -0.18 5.00 0.00 -0.72 -2.14 119.26 123.31 1vre h ALA 85 Ca 0.30 -0.36 0.04 0.00 0.00 0.00 0.00 54.91 54.89 1vre h ALA 85 Cb -0.12 -0.15 -0.04 0.00 0.00 0.00 0.00 17.79 17.47 1vre h ALA 85 CO -0.06 0.55 -0.08 0.28 0.00 0.00 0.00 179.25 179.93 1vre h VAL 86 N 0.71 0.73 0.13 0.00 2.07 -0.54 0.43 116.25 119.79 1vre h VAL 86 Ca 0.10 0.00 0.01 0.00 0.82 0.00 0.00 66.70 67.64 1vre h VAL 86 Cb 0.72 0.73 -0.03 0.00 -1.52 0.00 0.00 31.29 31.19 1vre h VAL 86 CO 0.05 0.00 -0.21 1.23 0.02 0.00 0.00 177.57 178.66 1vre h GLY 87 N -0.06 -0.40 0.61 2.17 0.00 -1.30 0.55 103.07 104.65 1vre h GLY 87 Ca 0.10 0.24 0.16 0.00 0.00 0.00 0.00 47.33 47.83 1vre h GLY 87 CO -0.22 -0.19 0.52 -2.08 0.00 0.00 0.00 176.54 174.57 1vre h VAL 88 N -0.41 0.77 -0.03 4.60 2.07 -0.67 0.12 116.25 122.70 1vre h VAL 88 Ca 0.02 -0.14 -0.03 0.00 0.82 0.00 0.00 66.70 67.38 1vre h VAL 88 Cb 0.42 0.33 0.00 0.00 -1.52 0.00 0.00 31.29 30.52 1vre h VAL 88 CO -0.10 0.07 -0.08 0.03 0.02 0.00 0.00 177.57 177.51 1vre h ARG 89 N 0.40 0.11 -0.26 1.57 2.47 0.19 -2.94 114.38 115.92 1vre h ARG 89 Ca 0.39 -0.08 0.08 0.00 -1.26 0.00 0.00 59.98 59.11 1vre h ARG 89 Cb 0.92 0.01 -0.01 0.00 -1.65 0.00 0.00 29.97 29.25 1vre h ARG 89 CO -0.13 0.69 0.23 0.45 0.56 0.00 0.00 179.97 181.77 1vre h HIS 90 N -0.45 0.00 0.00 3.04 3.86 0.14 0.26 115.15 122.00 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 0.69 0.00 0.00 0.00 1.06 0.00 0.00 27.41 29.16 1vre h HIS 90 CO 0.13 0.00 0.00 1.17 0.86 0.00 0.00 177.93 180.09 1vre n LYS 91 N -4.05 0.08 -2.63 2.45 0.00 -0.11 -3.01 118.16 110.89 1vre n LYS 91 Ca 0.03 0.41 -0.12 0.00 0.00 0.00 0.00 58.31 58.63 1vre n LYS 91 Cb 0.38 -1.68 0.02 0.00 0.00 0.00 0.00 35.03 33.76 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 -0.50 2.40 0.00 3.14 0.00 0.92 -4.82 105.19 106.33 1vre n GLY 92 Ca 0.02 -1.58 0.00 0.00 0.00 0.00 0.00 46.02 44.46 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 -0.15 -3.07 -0.05 1.61 4.02 -1.16 -4.99 117.16 113.37 1vre n TYR 93 Ca 0.15 0.00 -0.11 0.00 -0.01 0.00 0.00 57.90 57.93 1vre n TYR 93 Cb 0.79 0.00 -0.10 0.00 -0.02 0.00 0.00 39.34 40.01 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 -0.02 2.00 2.72 0.00 -1.92 -3.28 103.07 102.56 1vre h GLY 94 Ca 0.00 0.01 -0.02 0.00 0.00 0.00 0.00 47.33 47.32 1vre h GLY 94 CO 0.00 -0.01 -0.11 3.45 0.00 0.00 0.00 176.54 179.87 1vre h ASN 95 N -0.95 0.00 -3.50 0.19 -1.07 -1.86 -3.45 115.58 104.94 1vre h ASN 95 Ca -0.00 0.00 -0.28 0.00 0.07 0.00 0.00 56.30 56.08 1vre h ASN 95 Cb 0.74 0.00 -0.02 0.00 -2.07 0.00 0.00 38.32 36.97 1vre h ASN 95 CO 0.00 0.11 -0.36 0.29 0.07 0.00 0.00 177.43 177.54 1vre n LYS 96 N -4.32 -2.06 -2.66 4.14 5.02 -1.24 -4.82 118.16 112.22 1vre n LYS 96 Ca -0.03 0.70 -0.09 0.00 -2.02 0.00 0.00 58.31 56.88 1vre n LYS 96 Cb 0.18 -5.29 0.03 0.00 -0.02 0.00 0.00 35.03 29.94 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 -3.43 1.55 -2.95 2.13 8.25 -1.26 -5.03 115.22 114.49 1vre n HIS 97 Ca -0.17 -2.52 -0.30 0.00 -0.26 0.00 0.00 57.72 54.47 1vre n HIS 97 Cb 0.62 -0.29 -0.03 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 -3.75 4.84 -0.00 1.59 1.01 -1.26 -4.97 121.20 118.66 1vre s ILE 98 Ca 0.31 0.48 -0.06 0.00 0.00 0.00 0.00 60.65 61.38 1vre s ILE 98 Cb 0.40 -3.74 0.00 0.00 0.01 0.00 0.00 42.46 39.13 1vre s ILE 98 CO -0.01 -0.49 0.12 -0.54 0.00 0.00 0.00 174.94 174.02 1vre s LYS 99 N -3.81 0.42 0.00 2.79 3.01 -1.26 -4.90 119.74 115.98 1vre s LYS 99 Ca 0.49 -0.33 0.29 0.00 -1.01 0.00 0.00 55.97 55.42 1vre s LYS 99 Cb -0.10 0.17 1.37 0.00 -1.01 0.00 0.00 37.83 38.26 1vre s LYS 99 CO 0.31 -0.09 1.94 0.00 0.51 0.00 0.00 175.35 178.02 1vre n ALA 100 N 1.71 2.69 0.12 5.17 0.00 -1.26 -3.51 120.51 125.44 1vre n ALA 100 Ca -0.21 -0.26 -0.02 0.00 0.00 0.00 0.00 53.44 52.96 1vre n ALA 100 Cb 0.56 -1.37 0.10 0.00 0.00 0.00 0.00 19.45 18.74 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 0.56 0.00 0.00 0.00 4.11 -2.03 -3.06 114.58 114.16 1vre h GLU 101 Ca 0.00 0.00 -0.05 0.00 0.07 0.00 0.00 59.36 59.38 1vre h GLU 101 Cb 0.30 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 29.54 1vre h GLU 101 CO 0.00 0.68 -0.38 1.88 0.07 0.00 0.00 179.01 181.27 1vre h TYR 102 N 0.00 0.00 0.27 2.06 0.05 -2.00 -3.35 116.97 114.00 1vre h TYR 102 Ca -0.01 0.00 -0.01 0.00 0.05 0.00 0.00 58.73 58.77 1vre h TYR 102 Cb 1.27 0.00 -0.02 0.00 1.01 0.00 0.00 36.73 39.00 1vre h TYR 102 CO 0.00 0.21 -0.34 0.74 -1.05 0.00 0.00 178.16 177.72 1vre h PHE 103 N 0.00 -0.95 -0.17 4.88 -1.00 -1.68 0.28 116.94 118.30 1vre h PHE 103 Ca -0.01 0.01 0.04 0.00 2.81 0.00 0.00 57.97 60.82 1vre h PHE 103 Cb 1.17 0.38 -0.07 0.00 3.61 0.00 0.00 35.95 41.04 1vre h PHE 103 CO 0.00 -0.43 -0.48 0.93 -1.61 0.00 0.00 178.31 176.71 1vre h GLU 104 N -0.63 -0.50 -0.00 1.51 5.08 -1.71 0.52 114.58 118.85 1vre h GLU 104 Ca -0.03 0.03 0.02 0.00 -1.00 0.00 0.00 59.36 58.38 1vre h GLU 104 Cb 0.56 0.11 -0.04 0.00 0.50 0.00 0.00 28.75 29.88 1vre h GLU 104 CO -0.08 -0.33 -0.40 -1.35 -1.00 0.00 0.00 179.01 175.85 1vre h PRO 105 N -0.52 -0.49 -0.11 2.33 0.11 -1.66 0.60 132.00 132.27 1vre h PRO 105 Ca 0.06 0.03 0.03 0.00 0.11 0.00 0.00 66.00 66.24 1vre h PRO 105 Cb 0.65 0.11 -0.00 0.00 0.11 0.00 0.00 31.00 31.87 1vre h PRO 105 CO -0.44 -0.32 0.29 1.25 -0.21 0.00 0.00 178.00 178.57 1vre h LEU 106 N -0.50 0.00 0.00 2.35 7.12 -0.01 0.99 115.31 125.26 1vre h LEU 106 Ca 0.01 0.00 -0.01 0.00 0.13 0.00 0.00 57.88 58.00 1vre h LEU 106 Cb 0.54 0.00 -0.00 0.00 -0.53 0.00 0.00 40.66 40.67 1vre h LEU 106 CO -0.27 0.00 -0.08 1.23 -0.13 0.00 0.00 178.44 179.19 1vre h GLY 107 N 0.00 0.00 1.06 3.75 0.00 0.45 -2.82 103.07 105.51 1vre h GLY 107 Ca 0.05 0.00 -0.07 0.00 0.00 0.00 0.00 47.33 47.31 1vre h GLY 107 CO -0.00 0.00 0.14 0.00 0.00 0.00 0.00 176.54 176.68 1vre h ALA 108 N -0.07 0.89 0.00 3.60 0.00 0.10 -1.78 119.26 122.00 1vre h ALA 108 Ca -0.02 -0.25 -0.01 0.00 0.00 0.00 0.00 54.91 54.62 1vre h ALA 108 Cb 0.98 -0.26 -0.00 0.00 0.00 0.00 0.00 17.79 18.52 1vre h ALA 108 CO -0.01 0.63 -0.05 1.03 0.00 0.00 0.00 179.25 180.85 1vre h SER 109 N 1.02 0.00 -0.20 0.00 0.87 -0.97 -2.67 113.55 111.59 1vre h SER 109 Ca 0.21 0.00 -0.16 0.00 -1.23 0.00 0.00 61.79 60.61 1vre h SER 109 Cb 0.40 0.00 0.00 0.00 -0.44 0.00 0.00 62.40 62.36 1vre h SER 109 CO 0.01 0.05 -0.50 0.25 -0.53 0.00 0.00 176.83 176.10 1vre h LEU 110 N 0.00 0.79 -1.98 2.23 6.46 -1.05 -2.98 115.31 118.78 1vre h LEU 110 Ca -0.00 -0.57 0.03 0.00 -0.12 0.00 0.00 57.88 57.22 1vre h LEU 110 Cb 0.37 -0.23 -0.01 0.00 -0.73 0.00 0.00 40.66 40.06 1vre h LEU 110 CO 0.01 1.21 0.09 -0.07 -0.62 0.00 0.00 178.44 179.06 1vre h LEU 111 N 0.40 0.03 -0.87 2.25 3.38 -1.33 -0.27 115.31 118.90 1vre h LEU 111 Ca -0.01 -0.00 -0.11 0.00 0.09 0.00 0.00 57.88 57.85 1vre h LEU 111 Cb 1.11 -0.01 -0.01 0.00 0.09 0.00 0.00 40.66 41.84 1vre h LEU 111 CO 0.11 0.02 -0.36 0.28 0.09 0.00 0.00 178.44 178.57 1vre h SER 112 N 0.03 0.41 0.69 -0.43 0.02 -1.53 -3.05 113.55 109.69 1vre h SER 112 Ca 0.06 -0.17 -0.26 0.00 -0.84 0.00 0.00 61.79 60.58 1vre h SER 112 Cb 0.19 -0.11 -0.01 0.00 0.14 0.00 0.00 62.40 62.61 1vre h SER 112 CO -0.00 0.75 -1.26 0.00 -1.14 0.00 0.00 176.83 175.17 1vre h ALA 113 N 1.28 0.24 -0.78 3.77 0.00 -1.08 -3.33 119.26 119.36 1vre h ALA 113 Ca 0.04 -0.97 0.18 0.00 0.00 0.00 0.00 54.91 54.15 1vre h ALA 113 Cb 0.80 0.05 -0.14 0.00 0.00 0.00 0.00 17.79 18.50 1vre h ALA 113 CO 0.06 1.12 0.01 0.52 0.00 0.00 0.00 179.25 180.96 1vre h MET 114 N 0.05 0.10 -0.20 0.00 2.07 -1.01 0.95 114.93 116.88 1vre h MET 114 Ca -0.13 -0.01 0.06 0.00 -2.07 0.00 0.00 59.70 57.55 1vre h MET 114 Cb 1.93 -0.02 -0.01 0.00 -1.87 0.00 0.00 31.60 31.63 1vre h MET 114 CO 0.17 0.06 0.45 1.05 1.07 0.00 0.00 176.91 179.71 1vre h GLU 115 N 0.10 0.00 -0.66 1.72 4.11 -1.67 0.35 114.58 118.53 1vre h GLU 115 Ca 0.43 0.00 0.18 0.00 0.07 0.00 0.00 59.36 60.04 1vre h GLU 115 Cb 0.77 0.00 -0.03 0.00 0.50 0.00 0.00 28.75 29.99 1vre h GLU 115 CO -0.69 0.00 0.47 0.45 0.07 0.00 0.00 179.01 179.31 1vre h HIS 116 N 0.00 0.08 0.00 2.06 3.86 0.73 1.19 115.15 123.07 1vre h HIS 116 Ca 0.10 0.00 0.00 0.00 -1.16 0.00 0.00 60.37 59.31 1vre h HIS 116 Cb 0.99 -0.02 0.00 0.00 1.06 0.00 0.00 27.41 29.43 1vre h HIS 116 CO 0.00 0.03 -0.09 -2.13 0.86 0.00 0.00 177.93 176.60 1vre n ARG 117 N -4.37 0.05 0.05 2.45 0.00 0.11 -4.65 116.66 110.30 1vre n ARG 117 Ca 0.13 0.14 -0.14 0.00 -0.00 0.00 0.00 57.85 57.98 1vre n ARG 117 Cb 0.68 -0.72 -0.04 0.00 0.00 0.00 0.00 32.46 32.38 1vre n ARG 117 CO 0.00 0.00 0.00 -0.84 0.00 0.00 0.00 177.63 176.79 1vre h ILE 118 N -0.11 1.36 0.00 5.15 3.07 -1.60 -3.45 117.51 121.93 1vre h ILE 118 Ca 0.00 -2.29 0.00 0.00 1.55 0.00 0.00 64.86 64.12 1vre h ILE 118 Cb 0.09 2.29 0.00 0.00 -0.27 0.00 0.00 36.82 38.93 1vre h ILE 118 CO 0.00 0.69 0.00 0.61 -1.05 0.00 0.00 178.15 178.40 1vre n GLY 119 N 0.86 0.59 0.32 0.16 0.00 0.41 -0.50 105.19 107.03 1vre n GLY 119 Ca -0.07 0.57 0.17 0.00 0.00 0.00 0.00 46.02 46.70 1vre n GLY 119 CO 0.00 0.00 0.00 -1.33 0.00 0.00 0.00 173.32 171.99 1vre h GLY 120 N 0.00 1.67 2.00 -0.02 0.00 -1.87 1.36 103.07 106.20 1vre h GLY 120 Ca 0.00 -0.13 -0.02 0.00 0.00 0.00 0.00 47.33 47.17 1vre h GLY 120 CO 0.00 -0.40 -0.12 0.50 0.00 0.00 0.00 176.54 176.52 1vre h LYS 121 N 0.29 0.00 -5.59 4.80 1.57 -1.16 -3.40 116.57 113.07 1vre h LYS 121 Ca 0.63 0.00 -0.20 0.00 -1.87 0.00 0.00 60.65 59.20 1vre h LYS 121 Cb 1.32 0.00 -0.03 0.00 0.08 0.00 0.00 32.23 33.60 1vre h LYS 121 CO -0.62 0.12 0.52 1.41 -0.57 0.00 0.00 179.45 180.31 1vre s MET 122 N -3.57 2.21 0.89 3.15 1.75 0.47 -4.93 119.30 119.26 1vre s MET 122 Ca 0.02 0.04 -0.10 0.00 -1.25 0.00 0.00 55.69 54.40 1vre s MET 122 Cb 0.09 -4.93 0.20 0.00 2.84 0.00 0.00 34.83 33.02 1vre s MET 122 CO 0.61 -3.74 1.21 0.27 -0.65 0.00 0.00 175.02 172.73 1vre n ASN 123 N 15.63 0.61 -0.27 1.11 6.94 -1.26 -4.86 115.26 133.16 1vre n ASN 123 Ca 0.42 -1.75 -0.07 0.00 -0.02 0.00 0.00 54.58 53.16 1vre n ASN 123 Cb 0.46 -0.88 0.05 0.00 -2.36 0.00 0.00 39.78 37.05 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 -1.32 0.96 -0.04 -2.53 0.00 -1.98 -1.92 119.26 112.43 1vre h ALA 124 Ca -0.40 -0.23 -0.04 0.00 0.00 0.00 0.00 54.91 54.25 1vre h ALA 124 Cb 1.21 -0.28 -0.01 0.00 0.00 0.00 0.00 17.79 18.71 1vre h ALA 124 CO 0.33 0.65 -0.18 0.00 0.00 0.00 0.00 179.25 180.05 1vre h ALA 125 N 1.12 1.64 0.03 0.00 0.00 -1.97 0.32 119.26 120.41 1vre h ALA 125 Ca 0.24 -0.18 -0.00 0.00 0.00 0.00 0.00 54.91 54.96 1vre h ALA 125 Cb 0.31 -0.05 0.00 0.00 0.00 0.00 0.00 17.79 18.05 1vre h ALA 125 CO -0.01 0.27 -0.02 0.00 0.00 0.00 0.00 179.25 179.50 1vre h ALA 126 N 1.77 -0.04 -0.00 0.00 0.00 -1.70 1.06 119.26 120.34 1vre h ALA 126 Ca 0.01 -0.18 -0.12 0.00 0.00 0.00 0.00 54.91 54.62 1vre h ALA 126 Cb 0.35 0.02 -0.02 0.00 0.00 0.00 0.00 17.79 18.14 1vre h ALA 126 CO 0.02 -0.35 -0.59 1.57 0.00 0.00 0.00 179.25 179.90 1vre h LYS 127 N -0.40 0.00 0.05 0.00 2.10 -1.17 -1.15 116.57 116.01 1vre h LYS 127 Ca -0.00 -0.00 -0.17 0.00 -2.00 0.00 0.00 60.65 58.47 1vre h LYS 127 Cb 0.37 0.00 0.02 0.00 -0.90 0.00 0.00 32.23 31.71 1vre h LYS 127 CO 0.01 0.60 -0.71 0.22 -2.00 0.00 0.00 179.45 177.57 1vre h ASP 128 N 0.00 0.54 -0.64 7.07 1.82 -0.24 0.23 116.42 125.20 1vre h ASP 128 Ca -0.01 -0.82 -0.05 0.00 -0.39 0.00 0.00 57.03 55.77 1vre h ASP 128 Cb 1.05 -0.17 -0.03 0.00 0.68 0.00 0.00 39.33 40.87 1vre h ASP 128 CO 0.08 1.30 0.22 0.00 -1.61 0.00 0.00 179.24 179.22 1vre h ALA 129 N 0.25 0.84 0.00 -0.78 0.00 0.12 -1.71 119.26 117.98 1vre h ALA 129 Ca -0.10 -0.20 -0.08 0.00 0.00 0.00 0.00 54.91 54.53 1vre h ALA 129 Cb 1.45 -0.25 -0.01 0.00 0.00 0.00 0.00 17.79 18.98 1vre h ALA 129 CO 0.14 0.50 -0.38 -1.49 0.00 0.00 0.00 179.25 178.01 1vre h TRP 130 N 0.92 0.00 -0.34 0.00 4.06 -1.26 -2.43 115.95 116.90 1vre h TRP 130 Ca 0.21 0.00 -0.12 0.00 2.06 0.00 0.00 58.89 61.04 1vre h TRP 130 Cb 0.27 0.00 -0.01 0.00 -1.00 0.00 0.00 29.16 28.42 1vre h TRP 130 CO 0.02 0.38 -0.29 0.00 -3.56 0.00 0.00 178.44 174.99 1vre h ALA 131 N 1.62 0.85 0.00 1.49 0.00 -0.23 0.36 119.26 123.34 1vre h ALA 131 Ca -0.00 -0.40 -0.09 0.00 0.00 0.00 0.00 54.91 54.42 1vre h ALA 131 Cb 1.06 -0.14 -0.01 0.00 0.00 0.00 0.00 17.79 18.70 1vre h ALA 131 CO 0.05 0.64 -0.43 0.00 0.00 0.00 0.00 179.25 179.50 1vre h ALA 132 N 1.06 0.75 0.00 0.00 0.00 -1.22 -3.19 119.26 116.66 1vre h ALA 132 Ca 0.07 -0.39 -0.07 0.00 0.00 0.00 0.00 54.91 54.52 1vre h ALA 132 Cb 0.80 -0.07 -0.01 0.00 0.00 0.00 0.00 17.79 18.51 1vre h ALA 132 CO 0.07 0.54 -0.41 0.00 0.00 0.00 0.00 179.25 179.45 1vre h ALA 133 N 1.57 0.08 -0.97 0.00 0.00 -1.09 -2.97 119.26 115.88 1vre h ALA 133 Ca -0.00 -0.71 0.27 0.00 0.00 0.00 0.00 54.91 54.46 1vre h ALA 133 Cb 1.27 0.24 -0.05 0.00 0.00 0.00 0.00 17.79 19.26 1vre h ALA 133 CO 0.06 0.23 0.68 1.88 0.00 0.00 0.00 179.25 182.10 1vre h TYR 134 N -1.00 0.18 0.04 0.00 -1.99 -0.40 1.49 116.97 115.29 1vre h TYR 134 Ca -0.11 0.01 -0.24 0.00 2.00 0.00 0.00 58.73 60.38 1vre h TYR 134 Cb 1.06 -0.05 0.00 0.00 2.00 0.00 0.00 36.73 39.74 1vre h TYR 134 CO 0.21 0.03 -1.02 0.00 -0.00 0.00 0.00 178.16 177.37 1vre h ALA 135 N 1.54 0.29 0.15 3.88 0.00 -1.63 -2.09 119.26 121.41 1vre h ALA 135 Ca 0.48 -0.75 -0.29 0.00 0.00 0.00 0.00 54.91 54.35 1vre h ALA 135 Cb 1.70 -0.01 0.01 0.00 0.00 0.00 0.00 17.79 19.50 1vre h ALA 135 CO -0.07 0.85 -1.28 0.22 0.00 0.00 0.00 179.25 178.96 1vre h ASP 136 N 0.19 0.53 0.61 0.00 3.58 0.26 -1.09 116.42 120.51 1vre h ASP 136 Ca -0.10 -0.56 -0.03 0.00 0.42 0.00 0.00 57.03 56.77 1vre h ASP 136 Cb 1.68 -0.17 0.01 0.00 1.72 0.00 0.00 39.33 42.57 1vre h ASP 136 CO 0.18 1.43 -0.29 0.40 -2.88 0.00 0.00 179.24 178.07 1vre h ILE 137 N 0.10 0.13 0.00 2.25 2.04 0.17 -1.78 117.51 120.42 1vre h ILE 137 Ca -0.16 -0.37 0.00 0.00 1.00 0.00 0.00 64.86 65.33 1vre h ILE 137 Cb 2.00 0.19 0.00 0.00 -0.74 0.00 0.00 36.82 38.27 1vre h ILE 137 CO 0.22 0.02 0.00 0.77 0.00 0.00 0.00 178.15 179.16 1vre h SER 138 N -1.15 0.00 -0.18 1.72 4.64 -1.51 -2.73 113.55 114.34 1vre h SER 138 Ca -0.08 0.00 -0.15 0.00 -0.47 0.00 0.00 61.79 61.09 1vre h SER 138 Cb 0.67 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.76 1vre h SER 138 CO 0.14 0.00 -0.47 1.23 -0.87 0.00 0.00 176.83 176.86 1vre h GLY 139 N 1.47 0.69 2.00 -0.77 0.00 -1.01 -2.44 103.07 103.00 1vre h GLY 139 Ca 0.00 -0.87 -0.02 0.00 0.00 0.00 0.00 47.33 46.44 1vre h GLY 139 CO 0.00 0.78 -0.10 0.00 0.00 0.00 0.00 176.54 177.21 1vre h ALA 140 N 0.57 1.13 0.10 3.60 0.00 -1.01 -2.56 119.26 121.10 1vre h ALA 140 Ca -0.01 -0.09 -0.26 0.00 0.00 0.00 0.00 54.91 54.54 1vre h ALA 140 Cb 1.08 -0.02 -0.00 0.00 0.00 0.00 0.00 17.79 18.85 1vre h ALA 140 CO 0.10 0.13 -1.22 1.25 0.00 0.00 0.00 179.25 179.51 1vre h LEU 141 N 0.00 0.34 0.00 0.00 6.46 -1.43 -3.15 115.31 117.54 1vre h LEU 141 Ca -0.00 -0.38 0.00 0.00 -0.12 0.00 0.00 57.88 57.38 1vre h LEU 141 Cb 0.42 -0.11 0.00 0.00 -0.73 0.00 0.00 40.66 40.24 1vre h LEU 141 CO 0.01 1.30 0.00 -0.38 -0.62 0.00 0.00 178.44 178.75 1vre n ILE 142 N -3.49 0.21 0.26 4.05 5.41 -0.94 -2.89 119.36 121.98 1vre n ILE 142 Ca -0.07 0.05 -0.12 0.00 1.00 0.00 0.00 62.75 63.61 1vre n ILE 142 Cb 1.01 -0.71 -0.06 0.00 -0.71 0.00 0.00 39.64 39.17 1vre n ILE 142 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 176.55 176.83 1vre h SER 143 N 0.00 -0.61 -0.15 4.38 0.02 -1.50 -3.20 113.55 112.49 1vre h SER 143 Ca 0.00 -0.00 0.00 0.00 -0.84 0.00 0.00 61.79 60.95 1vre h SER 143 Cb 0.12 0.16 0.00 0.00 0.14 0.00 0.00 62.40 62.82 1vre h SER 143 CO 0.00 -0.21 0.00 0.61 -1.14 0.00 0.00 176.83 176.09 1vre n GLY 144 N -0.15 0.11 3.87 -3.77 0.00 -1.24 -4.89 105.19 99.12 1vre n GLY 144 Ca -0.09 -0.38 -0.30 0.00 0.00 0.00 0.00 46.02 45.25 1vre n GLY 144 CO 0.00 0.00 0.00 -2.27 0.00 0.00 0.00 173.32 171.05 1vre s LEU 145 N -1.56 2.32 -1.71 0.99 0.20 -1.14 -1.82 118.68 115.96 1vre s LEU 145 Ca 0.31 0.29 -0.21 0.00 0.69 0.00 0.00 54.13 55.21 1vre s LEU 145 Cb 0.17 -2.23 0.20 0.00 -0.43 0.00 0.00 46.19 43.90 1vre s LEU 145 CO 0.25 -3.09 0.60 0.00 -0.29 0.00 0.00 176.35 173.83 1vre n GLN 146 N -4.01 -1.45 -0.23 1.98 0.00 -1.26 -4.85 117.38 107.56 1vre n GLN 146 Ca 0.16 0.19 0.00 0.00 0.00 0.00 0.00 57.00 57.34 1vre n GLN 146 Cb 0.59 -4.80 0.00 0.00 0.00 0.00 0.00 30.24 26.03 1vre n GLN 146 CO 0.00 0.00 0.00 0.43 0.00 0.00 0.00 177.06 177.49