#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 -0.84 0.00 0.99 1.43 -1.26 -5.02 118.68 113.98 1vre s LEU 2 Ca 0.00 0.99 0.00 0.00 -1.03 0.00 0.00 54.13 54.09 1vre s LEU 2 Cb 0.00 -2.49 0.00 0.00 0.03 0.00 0.00 46.19 43.73 1vre s LEU 2 CO 0.00 -5.22 0.00 -1.54 0.23 0.00 0.00 176.35 169.82 1vre n SER 3 N -5.55 0.56 0.02 2.29 3.41 -1.26 -4.99 113.62 108.10 1vre n SER 3 Ca 0.11 0.00 -0.04 0.00 -0.26 0.00 0.00 58.87 58.68 1vre n SER 3 Cb 0.59 0.00 -0.10 0.00 -0.26 0.00 0.00 64.21 64.44 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 1.00 0.68 0.06 7.33 0.00 -2.00 -3.12 119.26 123.22 1vre h ALA 4 Ca 0.00 -1.08 -0.33 0.00 0.00 0.00 0.00 54.91 53.50 1vre h ALA 4 Cb 0.00 0.31 -0.03 0.00 0.00 0.00 0.00 17.79 18.07 1vre h ALA 4 CO 0.00 1.20 -1.86 0.00 0.00 0.00 0.00 179.25 178.59 1vre n ALA 5 N -2.45 1.19 -0.09 0.00 0.00 -1.26 -3.97 120.51 113.94 1vre n ALA 5 Ca -0.11 -0.68 -0.14 0.00 0.00 0.00 0.00 53.44 52.51 1vre n ALA 5 Cb 0.93 -0.76 -0.04 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 0.04 0.82 -0.29 0.00 4.20 -1.96 -3.17 115.11 114.75 1vre h GLN 6 Ca -0.36 -0.49 0.07 0.00 0.06 0.00 0.00 58.65 57.93 1vre h GLN 6 Cb 2.03 0.05 -0.08 0.00 0.30 0.00 0.00 27.48 29.78 1vre h GLN 6 CO 0.08 1.13 -0.23 -0.09 -0.67 0.00 0.00 178.83 179.05 1vre h ARG 7 N 0.59 -0.20 -0.92 1.46 2.43 -1.71 0.37 114.38 116.41 1vre h ARG 7 Ca 0.03 0.01 0.20 0.00 -0.81 0.00 0.00 59.98 59.41 1vre h ARG 7 Cb 1.05 0.05 -0.11 0.00 -0.42 0.00 0.00 29.97 30.53 1vre h ARG 7 CO 0.10 -0.13 0.48 1.96 -1.51 0.00 0.00 179.97 180.87 1vre h GLN 8 N -0.21 0.53 0.00 0.20 1.08 -1.68 1.70 115.11 116.74 1vre h GLN 8 Ca 0.15 -0.03 -0.12 0.00 -1.45 0.00 0.00 58.65 57.21 1vre h GLN 8 Cb 0.45 -0.12 -0.02 0.00 -0.05 0.00 0.00 27.48 27.74 1vre h GLN 8 CO -0.42 0.35 -0.56 0.28 -0.95 0.00 0.00 178.83 177.54 1vre h VAL 9 N 0.55 1.39 0.11 -0.54 2.07 -0.76 0.13 116.25 119.21 1vre h VAL 9 Ca 0.55 -1.92 -0.20 0.00 0.82 0.00 0.00 66.70 65.96 1vre h VAL 9 Cb 0.96 2.04 0.02 0.00 -1.52 0.00 0.00 31.29 32.78 1vre h VAL 9 CO -0.45 0.55 -0.84 0.58 0.02 0.00 0.00 177.57 177.43 1vre h VAL 10 N 0.00 1.45 0.00 2.57 2.07 0.44 -2.54 116.25 120.25 1vre h VAL 10 Ca -0.01 -2.41 0.00 0.00 0.82 0.00 0.00 66.70 65.11 1vre h VAL 10 Cb 0.99 2.97 0.00 0.00 -1.52 0.00 0.00 31.29 33.73 1vre h VAL 10 CO 0.07 0.69 0.00 0.00 0.02 0.00 0.00 177.57 178.36 1vre n ALA 11 N -2.65 2.09 -0.01 1.67 0.00 0.51 -2.70 120.51 119.42 1vre n ALA 11 Ca -0.13 -0.02 -0.04 0.00 0.00 0.00 0.00 53.44 53.25 1vre n ALA 11 Cb 0.81 -1.43 -0.12 0.00 0.00 0.00 0.00 19.45 18.72 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 -2.01 0.69 0.06 0.00 7.64 0.46 -3.88 113.62 116.58 1vre n SER 12 Ca 0.05 0.32 0.12 0.00 1.01 0.00 0.00 58.87 60.37 1vre n SER 12 Cb 0.34 0.29 0.20 0.00 -1.01 0.00 0.00 64.21 64.03 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 -2.89 0.35 0.28 0.44 -2.24 -0.96 -3.66 114.28 105.60 1vre n THR 13 Ca -0.16 -0.25 0.12 0.00 -2.27 0.00 0.00 64.05 61.49 1vre n THR 13 Cb 0.95 -0.15 0.12 0.00 -2.10 0.00 0.00 70.33 69.15 1vre n THR 13 CO 0.00 0.00 0.00 -0.25 -0.57 0.00 0.00 175.07 174.25 1vre h TRP 14 N 0.00 0.00 -0.00 4.78 7.01 -1.65 -3.19 115.95 122.90 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 0.73 0.00 0.00 0.00 -2.10 0.00 0.00 29.16 27.79 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 -2.63 1.02 -0.02 2.65 5.02 -1.24 -2.53 118.16 120.44 1vre n LYS 15 Ca 0.02 -0.03 -0.06 0.00 -2.02 0.00 0.00 58.31 56.22 1vre n LYS 15 Cb 0.51 -1.40 -0.02 0.00 -0.02 0.00 0.00 35.03 34.10 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 0.88 -0.04 4.39 9.92 -1.22 -4.21 116.55 125.41 1vre n ASP 16 Ca 0.19 0.14 -0.01 0.00 -0.53 0.00 0.00 54.79 54.58 1vre n ASP 16 Cb 0.10 -0.32 0.27 0.00 -0.64 0.00 0.00 41.12 40.52 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 -0.29 1.21 -0.90 0.53 2.04 -1.68 -2.60 117.51 115.81 1vre h ILE 17 Ca -0.12 -0.80 -0.60 0.00 1.00 0.00 0.00 64.86 64.34 1vre h ILE 17 Cb 0.83 0.87 -0.31 0.00 -0.74 0.00 0.00 36.82 37.47 1vre h ILE 17 CO -0.08 0.28 0.41 0.00 0.00 0.00 0.00 178.15 178.76 1vre n ALA 18 N -2.47 5.83 -1.00 1.87 0.00 -1.05 -3.09 120.51 120.61 1vre n ALA 18 Ca 0.02 -3.47 0.00 0.00 0.00 0.00 0.00 53.44 49.99 1vre n ALA 18 Cb 0.24 -1.35 0.00 0.00 0.00 0.00 0.00 19.45 18.35 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 -0.91 -2.12 0.96 0.00 0.00 -0.98 -3.45 105.19 98.70 1vre n GLY 19 Ca 0.56 0.04 0.08 0.00 0.00 0.00 0.00 46.02 46.70 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 -0.12 3.88 0.00 1.61 3.41 -1.26 -4.39 113.62 116.75 1vre n SER 20 Ca 0.00 -2.75 0.00 0.00 -0.26 0.00 0.00 58.87 55.86 1vre n SER 20 Cb 0.00 -0.49 0.00 0.00 -0.26 0.00 0.00 64.21 63.46 1vre n SER 20 CO 0.00 0.00 0.00 -0.90 -0.16 0.00 0.00 175.04 173.98 1vre n ASP 21 N -0.08 0.43 -1.41 4.04 5.75 -1.26 -4.98 116.55 119.04 1vre n ASP 21 Ca 0.20 -0.75 -0.17 0.00 -0.01 0.00 0.00 54.79 54.07 1vre n ASP 21 Cb 0.81 0.28 -0.07 0.00 -1.03 0.00 0.00 41.12 41.11 1vre n ASP 21 CO 0.00 0.00 0.00 -3.20 -0.11 0.00 0.00 177.20 173.89 1vre n ASN 22 N -0.28 -4.77 0.00 -1.12 5.15 -1.22 -0.27 115.26 112.74 1vre n ASN 22 Ca 0.00 0.41 0.00 0.00 -0.60 0.00 0.00 54.58 54.39 1vre n ASN 22 Cb 0.04 -4.17 0.00 0.00 -0.53 0.00 0.00 39.78 35.13 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 -0.25 0.81 0.37 8.20 0.00 -1.18 -4.00 105.19 109.15 1vre n GLY 23 Ca -0.17 -0.64 0.13 0.00 0.00 0.00 0.00 46.02 45.34 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 1.80 -0.25 4.61 0.00 -0.90 0.57 119.26 125.09 1vre h ALA 24 Ca 0.00 0.04 0.00 0.00 0.00 0.00 0.00 54.91 54.95 1vre h ALA 24 Cb 0.49 -0.10 0.00 0.00 0.00 0.00 0.00 17.79 18.18 1vre h ALA 24 CO 0.00 -0.11 0.00 0.41 0.00 0.00 0.00 179.25 179.55 1vre n GLY 25 N -1.40 1.96 0.00 0.00 0.00 -1.26 -3.27 105.19 101.23 1vre n GLY 25 Ca 0.20 -0.39 0.01 0.00 0.00 0.00 0.00 46.02 45.85 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 0.28 0.00 -0.05 1.61 0.31 0.20 -4.40 118.33 116.28 1vre n VAL 26 Ca 0.12 -0.28 -0.04 0.00 -0.01 0.00 0.00 64.34 64.12 1vre n VAL 26 Cb 0.62 0.76 -0.08 0.00 -0.91 0.00 0.00 33.84 34.23 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 1.60 -0.50 0.11 2.92 0.00 -1.11 -3.71 105.19 104.50 1vre n GLY 27 Ca 0.00 -0.17 -0.03 0.00 0.00 0.00 0.00 46.02 45.82 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 0.00 0.00 0.00 1.61 2.10 -1.71 -2.42 116.57 116.15 1vre h LYS 28 Ca -0.26 0.00 0.00 0.00 -2.00 0.00 0.00 60.65 58.39 1vre h LYS 28 Cb 1.56 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 32.89 1vre h LYS 28 CO 0.01 0.75 -1.23 -0.85 -2.00 0.00 0.00 179.45 176.14 1vre n GLU 29 N -3.42 0.38 -0.05 0.07 0.00 -1.26 -3.87 120.64 112.48 1vre n GLU 29 Ca 0.00 -0.03 -0.03 0.00 0.00 0.00 0.00 57.16 57.11 1vre n GLU 29 Cb 0.79 -1.60 -0.01 0.00 0.00 0.00 0.00 31.44 30.62 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 -0.75 0.10 -0.09 0.00 0.04 -1.66 0.70 116.94 115.28 1vre h PHE 31 Ca 0.00 0.00 -0.02 0.00 2.80 0.00 0.00 57.97 60.76 1vre h PHE 31 Cb 0.30 -0.03 -0.01 0.00 2.20 0.00 0.00 35.95 38.41 1vre h PHE 31 CO -0.13 0.02 -0.03 1.15 -0.60 0.00 0.00 178.31 178.72 1vre h THR 32 N 0.07 1.08 -0.02 -1.55 2.02 -1.71 -1.02 112.91 111.77 1vre h THR 32 Ca 0.48 -0.32 -0.06 0.00 0.77 0.00 0.00 66.41 67.28 1vre h THR 32 Cb 1.78 1.04 0.00 0.00 -1.74 0.00 0.00 68.15 69.24 1vre h THR 32 CO -0.04 0.10 -0.23 0.11 0.37 0.00 0.00 175.52 175.83 1vre h LYS 33 N 0.12 0.20 -0.45 6.66 1.79 0.30 -2.39 116.57 122.79 1vre h LYS 33 Ca 0.03 -0.18 0.03 0.00 -2.18 0.00 0.00 60.65 58.35 1vre h LYS 33 Cb 0.13 0.04 -0.04 0.00 -1.58 0.00 0.00 32.23 30.79 1vre h LYS 33 CO 0.00 0.87 0.24 0.35 -1.08 0.00 0.00 179.45 179.83 1vre h PHE 34 N -0.42 0.43 -0.31 -1.35 3.57 -1.26 0.33 116.94 117.93 1vre h PHE 34 Ca -0.02 0.02 0.00 0.00 3.53 0.00 0.00 57.97 61.50 1vre h PHE 34 Cb 0.94 -0.13 -0.02 0.00 2.79 0.00 0.00 35.95 39.53 1vre h PHE 34 CO 0.16 0.23 0.20 -0.07 -2.23 0.00 0.00 178.31 176.59 1vre h LEU 35 N 0.47 0.36 -0.01 0.59 3.38 -1.25 1.46 115.31 120.31 1vre h LEU 35 Ca 0.19 -0.02 -0.00 0.00 0.09 0.00 0.00 57.88 58.14 1vre h LEU 35 Cb 0.09 -0.09 -0.00 0.00 0.09 0.00 0.00 40.66 40.75 1vre h LEU 35 CO -0.13 0.28 0.00 0.77 0.09 0.00 0.00 178.44 179.45 1vre h SER 36 N 0.41 0.01 0.74 -0.43 4.64 -0.92 -2.85 113.55 115.15 1vre h SER 36 Ca 0.11 -0.26 -0.06 0.00 -0.47 0.00 0.00 61.79 61.11 1vre h SER 36 Cb -0.03 -0.00 -0.01 0.00 -0.31 0.00 0.00 62.40 62.05 1vre h SER 36 CO -0.02 0.27 -0.31 0.00 -0.87 0.00 0.00 176.83 175.89 1vre h ALA 37 N 0.75 1.08 -3.24 5.18 0.00 -0.21 -3.41 119.26 119.41 1vre h ALA 37 Ca 0.00 -0.28 -0.58 0.00 0.00 0.00 0.00 54.91 54.05 1vre h ALA 37 Cb 0.26 -0.05 -0.37 0.00 0.00 0.00 0.00 17.79 17.63 1vre h ALA 37 CO 0.00 0.39 -0.81 -1.01 0.00 0.00 0.00 179.25 177.81 1vre s HIS 38 N -3.76 2.03 -0.54 0.00 3.76 0.50 -4.97 115.29 112.30 1vre s HIS 38 Ca -0.01 -1.21 0.23 0.00 -0.15 0.00 0.00 55.06 53.92 1vre s HIS 38 Cb 0.11 -1.49 -0.01 0.00 1.11 0.00 0.00 32.58 32.30 1vre s HIS 38 CO 0.67 -0.65 0.96 0.72 -0.85 0.00 0.00 174.74 175.58 1vre n HIS 39 N 4.80 0.27 0.72 1.40 -0.00 -1.24 -3.80 115.22 117.37 1vre n HIS 39 Ca -0.15 0.08 0.08 0.00 -0.00 0.00 0.00 57.72 57.74 1vre n HIS 39 Cb 0.49 -0.46 0.40 0.00 -0.00 0.00 0.00 29.99 30.42 1vre n HIS 39 CO 0.00 0.00 0.00 -0.40 -0.00 0.00 0.00 176.34 175.94 1vre n ASP 40 N -2.02 0.00 -0.00 0.41 5.75 -1.26 -2.79 116.55 116.64 1vre n ASP 40 Ca 0.01 0.24 0.01 0.00 -0.01 0.00 0.00 54.79 55.04 1vre n ASP 40 Cb 0.45 -0.38 -0.01 0.00 -1.03 0.00 0.00 41.12 40.15 1vre n ASP 40 CO 0.00 0.00 0.00 0.23 -0.11 0.00 0.00 177.20 177.32 1vre n MET 41 N -1.38 5.21 0.11 0.11 2.81 -1.25 -4.56 117.12 118.16 1vre n MET 41 Ca 0.06 -0.00 -0.13 0.00 -1.81 0.00 0.00 57.70 55.83 1vre n MET 41 Cb 0.17 -0.66 -0.06 0.00 -0.71 0.00 0.00 33.22 31.96 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 0.17 -0.36 0.00 3.04 0.00 -1.62 0.22 119.26 120.71 1vre h ALA 42 Ca 0.00 -0.04 -0.04 0.00 0.00 0.00 0.00 54.91 54.84 1vre h ALA 42 Cb 0.04 0.32 -0.01 0.00 0.00 0.00 0.00 17.79 18.15 1vre h ALA 42 CO 0.00 -0.74 -0.17 0.00 0.00 0.00 0.00 179.25 178.34 1vre h ALA 43 N 0.39 1.51 0.21 0.00 0.00 -1.71 0.13 119.26 119.80 1vre h ALA 43 Ca 0.02 -0.15 -0.01 0.00 0.00 0.00 0.00 54.91 54.77 1vre h ALA 43 Cb 0.41 -0.03 0.00 0.00 0.00 0.00 0.00 17.79 18.18 1vre h ALA 43 CO -0.11 0.21 -0.10 0.28 0.00 0.00 0.00 179.25 179.53 1vre h VAL 44 N 0.00 0.87 0.00 0.00 2.07 -1.37 -2.74 116.25 115.08 1vre h VAL 44 Ca -0.00 -0.75 0.00 0.00 0.82 0.00 0.00 66.70 66.77 1vre h VAL 44 Cb 0.34 1.29 0.00 0.00 -1.52 0.00 0.00 31.29 31.40 1vre h VAL 44 CO 0.02 0.16 0.00 -0.26 0.02 0.00 0.00 177.57 177.51 1vre h PHE 45 N -0.68 0.00 0.00 1.57 0.04 -0.40 -3.39 116.94 114.08 1vre h PHE 45 Ca -0.03 0.00 0.00 0.00 2.80 0.00 0.00 57.97 60.74 1vre h PHE 45 Cb 0.48 0.00 0.00 0.00 2.20 0.00 0.00 35.95 38.63 1vre h PHE 45 CO 0.04 0.00 0.00 0.41 -0.60 0.00 0.00 178.31 178.16 1vre n GLY 46 N -0.90 1.97 3.47 -1.45 0.00 -0.86 -5.02 105.19 102.40 1vre n GLY 46 Ca -0.02 0.00 -0.22 0.00 0.00 0.00 0.00 46.02 45.78 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 2.04 -0.16 1.61 0.08 0.41 -4.98 117.98 114.99 1vre s PHE 47 Ca 0.00 -0.86 0.18 0.00 0.12 0.00 0.00 56.93 56.37 1vre s PHE 47 Cb 0.00 -1.32 0.43 0.00 -0.57 0.00 0.00 43.02 41.56 1vre s PHE 47 CO 0.00 0.13 1.31 0.45 -0.10 0.00 0.00 175.22 177.02 1vre n SER 48 N -0.71 3.26 0.00 1.36 2.88 -1.26 -3.11 113.62 116.04 1vre n SER 48 Ca -0.03 -3.06 0.00 0.00 -1.33 0.00 0.00 58.87 54.45 1vre n SER 48 Cb 0.66 -0.50 0.00 0.00 -0.75 0.00 0.00 64.21 63.62 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 -0.89 0.46 2.28 0.46 0.00 -1.26 -4.89 105.19 101.35 1vre n GLY 49 Ca 0.19 -1.68 -0.33 0.00 0.00 0.00 0.00 46.02 44.21 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 -0.71 6.18 -2.14 4.61 0.00 -1.26 -4.19 120.51 122.99 1vre n ALA 50 Ca 0.00 -3.27 0.01 0.00 0.00 0.00 0.00 53.44 50.19 1vre n ALA 50 Cb 0.00 -1.72 0.01 0.00 0.00 0.00 0.00 19.45 17.73 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 -0.81 0.28 -4.62 0.00 7.64 -1.26 -5.02 113.62 109.83 1vre n SER 51 Ca 0.59 -1.98 -0.32 0.00 1.01 0.00 0.00 58.87 58.18 1vre n SER 51 Cb 0.70 -0.22 -0.10 0.00 -1.01 0.00 0.00 64.21 63.58 1vre n SER 51 CO 0.00 0.00 0.00 -0.62 -3.01 0.00 0.00 175.04 171.41 1vre s ASP 52 N -1.27 4.72 -0.88 6.43 2.15 -1.26 -5.00 116.67 121.56 1vre s ASP 52 Ca 0.10 -0.16 -0.07 0.00 0.43 0.00 0.00 52.55 52.85 1vre s ASP 52 Cb 0.11 -1.10 -0.14 0.00 -0.30 0.00 0.00 42.92 41.49 1vre s ASP 52 CO -0.05 0.26 2.93 -0.81 -0.17 0.00 0.00 175.17 177.33 1vre n PRO 53 N 1.31 2.68 0.00 4.34 -0.04 -1.26 -3.63 135.00 138.40 1vre n PRO 53 Ca -0.14 -1.56 0.00 0.00 -0.04 0.00 0.00 63.50 61.75 1vre n PRO 53 Cb 0.52 -2.41 0.00 0.00 -0.04 0.00 0.00 33.50 31.58 1vre n PRO 53 CO 0.00 0.00 0.00 0.41 -0.04 0.00 0.00 175.50 175.87 1vre n GLY 54 N 3.22 0.00 0.44 0.55 0.00 -1.26 -4.76 105.19 103.37 1vre n GLY 54 Ca 0.57 0.00 0.24 0.00 0.00 0.00 0.00 46.02 46.84 1vre n GLY 54 CO 0.00 0.00 0.00 -2.08 0.00 0.00 0.00 173.32 171.24 1vre h VAL 55 N 0.00 0.33 -0.00 1.61 2.07 -1.92 1.56 116.25 119.90 1vre h VAL 55 Ca 0.00 0.00 0.00 0.00 0.82 0.00 0.00 66.70 67.52 1vre h VAL 55 Cb 0.25 0.50 0.00 0.00 -1.52 0.00 0.00 31.29 30.52 1vre h VAL 55 CO 0.00 0.00 -0.04 0.00 0.02 0.00 0.00 177.57 177.55 1vre n ALA 56 N -2.42 2.51 -0.03 1.67 0.00 -1.26 -3.02 120.51 117.96 1vre n ALA 56 Ca 0.13 -0.15 -0.10 0.00 0.00 0.00 0.00 53.44 53.32 1vre n ALA 56 Cb 0.89 -1.44 -0.14 0.00 0.00 0.00 0.00 19.45 18.75 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 -1.36 0.92 -0.03 0.00 8.00 0.53 -3.41 116.55 121.20 1vre n ASP 57 Ca 0.10 0.32 -0.01 0.00 0.71 0.00 0.00 54.79 55.92 1vre n ASP 57 Cb 0.30 -0.02 -0.00 0.00 -0.02 0.00 0.00 41.12 41.37 1vre n ASP 57 CO 0.00 0.00 0.00 -0.07 -0.39 0.00 0.00 177.20 176.74 1vre h LEU 58 N 0.01 0.00 -0.73 0.64 3.38 -1.55 -3.19 115.31 113.87 1vre h LEU 58 Ca -0.34 0.00 0.14 0.00 0.09 0.00 0.00 57.88 57.76 1vre h LEU 58 Cb 2.05 0.00 -0.09 0.00 0.09 0.00 0.00 40.66 42.70 1vre h LEU 58 CO 0.07 0.34 0.27 1.23 0.09 0.00 0.00 178.44 180.44 1vre h GLY 59 N -0.59 1.08 0.38 0.83 0.00 -1.66 1.56 103.07 104.67 1vre h GLY 59 Ca 0.00 -0.12 0.15 0.00 0.00 0.00 0.00 47.33 47.36 1vre h GLY 59 CO 0.00 -0.11 0.61 0.00 0.00 0.00 0.00 176.54 177.05 1vre h ALA 60 N 1.54 1.66 0.03 3.60 0.00 -1.72 0.31 119.26 124.68 1vre h ALA 60 Ca 0.40 0.04 -0.30 0.00 0.00 0.00 0.00 54.91 55.04 1vre h ALA 60 Cb 0.61 -0.15 -0.04 0.00 0.00 0.00 0.00 17.79 18.21 1vre h ALA 60 CO -0.41 0.06 -1.74 0.87 0.00 0.00 0.00 179.25 178.03 1vre h LYS 61 N 0.85 0.07 -0.14 0.00 1.57 -0.69 -3.36 116.57 114.86 1vre h LYS 61 Ca 0.51 -0.11 -0.02 0.00 -1.87 0.00 0.00 60.65 59.16 1vre h LYS 61 Cb 0.68 0.04 -0.01 0.00 0.08 0.00 0.00 32.23 33.02 1vre h LYS 61 CO -0.28 0.68 0.02 0.28 -0.57 0.00 0.00 179.45 179.59 1vre h VAL 62 N 0.02 1.22 -0.81 0.50 2.07 0.29 -2.97 116.25 116.58 1vre h VAL 62 Ca -0.30 -0.71 0.19 0.00 0.82 0.00 0.00 66.70 66.70 1vre h VAL 62 Cb 2.01 1.43 -0.13 0.00 -1.52 0.00 0.00 31.29 33.08 1vre h VAL 62 CO 0.09 0.21 0.19 -0.07 0.02 0.00 0.00 177.57 178.01 1vre h LEU 63 N 0.01 -0.02 -1.01 2.57 -0.00 -0.59 0.21 115.31 116.48 1vre h LEU 63 Ca 0.04 0.17 0.14 0.00 -0.00 0.00 0.00 57.88 58.24 1vre h LEU 63 Cb 0.30 0.24 -0.09 0.00 -0.00 0.00 0.00 40.66 41.11 1vre h LEU 63 CO 0.00 -0.10 0.63 0.00 -0.00 0.00 0.00 178.44 178.97 1vre h ALA 64 N 1.70 1.57 -0.96 1.53 0.00 -1.65 0.13 119.26 121.56 1vre h ALA 64 Ca 0.48 0.04 0.01 0.00 0.00 0.00 0.00 54.91 55.44 1vre h ALA 64 Cb 0.89 -0.17 -0.05 0.00 0.00 0.00 0.00 17.79 18.46 1vre h ALA 64 CO -0.59 0.15 0.64 0.37 0.00 0.00 0.00 179.25 179.82 1vre h GLN 65 N 0.93 1.26 -0.67 0.00 5.75 -0.61 0.41 115.11 122.18 1vre h GLN 65 Ca 0.52 -0.08 -0.03 0.00 -0.15 0.00 0.00 58.65 58.92 1vre h GLN 65 Cb 0.61 -0.28 -0.03 0.00 1.07 0.00 0.00 27.48 28.84 1vre h GLN 65 CO -0.30 0.83 0.32 0.82 -2.65 0.00 0.00 178.83 177.85 1vre h ILE 66 N 1.29 1.23 0.11 2.39 1.08 -0.62 -0.38 117.51 122.61 1vre h ILE 66 Ca 0.36 -0.64 -0.01 0.00 -0.39 0.00 0.00 64.86 64.18 1vre h ILE 66 Cb -0.13 0.41 0.00 0.00 -3.07 0.00 0.00 36.82 34.04 1vre h ILE 66 CO -0.08 0.27 -0.05 1.23 -0.69 0.00 0.00 178.15 178.82 1vre h GLY 67 N 0.93 -0.16 1.74 5.37 0.00 -0.43 0.24 103.07 110.77 1vre h GLY 67 Ca 0.23 0.06 0.03 0.00 0.00 0.00 0.00 47.33 47.65 1vre h GLY 67 CO -0.03 -0.06 0.10 -2.08 0.00 0.00 0.00 176.54 174.47 1vre h VAL 68 N -0.33 0.63 0.00 4.60 2.07 -0.73 -0.10 116.25 122.39 1vre h VAL 68 Ca -0.02 0.00 -0.20 0.00 0.82 0.00 0.00 66.70 67.30 1vre h VAL 68 Cb 0.27 0.92 -0.03 0.00 -1.52 0.00 0.00 31.29 30.93 1vre h VAL 68 CO 0.02 0.00 -1.18 0.00 0.02 0.00 0.00 177.57 176.43 1vre h ALA 69 N 1.90 0.59 0.00 1.67 0.00 -0.39 -3.28 119.26 119.75 1vre h ALA 69 Ca 0.05 -0.96 -0.06 0.00 0.00 0.00 0.00 54.91 53.94 1vre h ALA 69 Cb 0.25 0.12 -0.01 0.00 0.00 0.00 0.00 17.79 18.15 1vre h ALA 69 CO -0.00 1.16 -0.26 0.28 0.00 0.00 0.00 179.25 180.42 1vre h VAL 70 N 0.00 0.52 0.00 0.00 2.07 0.13 -2.67 116.25 116.30 1vre h VAL 70 Ca -0.12 -1.43 0.00 0.00 0.82 0.00 0.00 66.70 65.97 1vre h VAL 70 Cb 1.73 2.02 0.00 0.00 -1.52 0.00 0.00 31.29 33.51 1vre h VAL 70 CO 0.09 0.26 0.00 -1.54 0.02 0.00 0.00 177.57 176.39 1vre n SER 71 N -3.26 0.44 0.00 0.57 3.41 -0.64 -4.29 113.62 109.85 1vre n SER 71 Ca 0.01 0.67 0.00 0.00 -0.26 0.00 0.00 58.87 59.29 1vre n SER 71 Cb 0.54 -0.74 0.00 0.00 -0.26 0.00 0.00 64.21 63.76 1vre n SER 71 CO 0.00 0.00 0.00 1.41 -0.16 0.00 0.00 175.04 176.29 1vre n HIS 72 N -2.05 0.00 0.00 7.33 8.25 -1.13 -4.98 115.22 122.64 1vre n HIS 72 Ca 0.00 0.00 0.00 0.00 -0.26 0.00 0.00 57.72 57.46 1vre n HIS 72 Cb 0.09 0.02 0.00 0.00 1.12 0.00 0.00 29.99 31.23 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 -1.37 0.00 0.00 2.41 4.77 -1.02 -3.16 117.00 118.63 1vre n LEU 73 Ca 0.00 0.00 0.20 0.00 -0.03 0.00 0.00 56.01 56.18 1vre n LEU 73 Cb 0.00 0.00 0.69 0.00 -2.33 0.00 0.00 43.42 41.78 1vre n LEU 73 CO 0.00 0.00 1.18 1.23 -1.33 0.00 0.00 177.39 178.47 1vre h GLY 74 N 0.00 0.00 -6.85 -0.72 0.00 -1.91 -3.37 103.07 90.21 1vre h GLY 74 Ca 0.00 0.00 -0.61 0.00 0.00 0.00 0.00 47.33 46.72 1vre h GLY 74 CO 0.00 0.00 -0.42 -0.35 0.00 0.00 0.00 176.54 175.77 1vre s ASP 75 N -6.18 6.21 -0.42 0.19 2.15 -1.19 -4.97 116.67 112.46 1vre s ASP 75 Ca -0.05 0.23 0.04 0.00 0.43 0.00 0.00 52.55 53.20 1vre s ASP 75 Cb 0.19 -2.14 0.45 0.00 -0.30 0.00 0.00 42.92 41.12 1vre s ASP 75 CO 0.72 0.03 1.42 -0.62 -0.17 0.00 0.00 175.17 176.55 1vre n GLU 76 N 4.31 3.34 -0.07 4.34 1.02 -1.26 -4.40 120.64 127.92 1vre n GLU 76 Ca -0.13 -3.97 -0.12 0.00 -0.02 0.00 0.00 57.16 52.92 1vre n GLU 76 Cb 0.52 -2.28 -0.15 0.00 -0.02 0.00 0.00 31.44 29.51 1vre n GLU 76 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 1vre n GLY 77 N -0.73 -0.87 0.00 0.62 0.00 -1.26 -4.69 105.19 98.26 1vre n GLY 77 Ca 0.48 -0.21 0.00 0.00 0.00 0.00 0.00 46.02 46.30 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 -2.99 2.29 -0.06 1.61 4.81 -1.26 -4.61 118.16 117.95 1vre n LYS 78 Ca -0.29 0.00 -0.11 0.00 -0.87 0.00 0.00 58.31 57.04 1vre n LYS 78 Cb 1.09 -0.79 -0.08 0.00 0.02 0.00 0.00 35.03 35.28 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 -0.36 0.00 1.64 4.05 -1.85 0.66 114.93 119.07 1vre h MET 79 Ca 0.00 0.02 0.00 0.00 -0.28 0.00 0.00 59.70 59.44 1vre h MET 79 Cb 0.57 0.08 0.00 0.00 -0.80 0.00 0.00 31.60 31.46 1vre h MET 79 CO 0.00 -0.24 0.00 0.28 0.23 0.00 0.00 176.91 177.18 1vre h VAL 80 N -0.38 0.00 0.10 -5.77 2.07 -1.87 -1.85 116.25 108.55 1vre h VAL 80 Ca 0.04 -0.15 -0.00 0.00 0.82 0.00 0.00 66.70 67.41 1vre h VAL 80 Cb 0.49 0.81 0.00 0.00 -1.52 0.00 0.00 31.29 31.07 1vre h VAL 80 CO -0.39 0.00 -0.05 0.00 0.02 0.00 0.00 177.57 177.15 1vre h ALA 81 N 2.12 -0.14 -0.26 1.67 0.00 -0.01 -0.90 119.26 121.74 1vre h ALA 81 Ca 0.00 -0.24 -0.17 0.00 0.00 0.00 0.00 54.91 54.50 1vre h ALA 81 Cb 0.21 0.05 0.00 0.00 0.00 0.00 0.00 17.79 18.05 1vre h ALA 81 CO 0.00 -0.30 -0.49 0.93 0.00 0.00 0.00 179.25 179.39 1vre h GLU 82 N -0.69 0.80 -0.19 0.00 5.08 -0.85 -3.07 114.58 115.65 1vre h GLU 82 Ca -0.01 -0.50 0.02 0.00 -1.00 0.00 0.00 59.36 57.86 1vre h GLU 82 Cb 0.53 0.06 -0.02 0.00 0.50 0.00 0.00 28.75 29.83 1vre h GLU 82 CO 0.02 1.13 0.08 0.52 -1.00 0.00 0.00 179.01 179.77 1vre h MET 83 N 0.55 0.18 -0.99 2.33 2.86 -1.41 -1.18 114.93 117.27 1vre h MET 83 Ca 0.01 -0.01 0.21 0.00 -2.06 0.00 0.00 59.70 57.85 1vre h MET 83 Cb 1.09 -0.04 -0.10 0.00 0.06 0.00 0.00 31.60 32.61 1vre h MET 83 CO 0.11 0.12 0.62 0.87 1.06 0.00 0.00 176.91 179.68 1vre h LYS 84 N 0.18 0.62 -0.31 1.72 1.57 -1.14 0.13 116.57 119.33 1vre h LYS 84 Ca 0.08 -0.04 -0.06 0.00 -1.87 0.00 0.00 60.65 58.76 1vre h LYS 84 Cb 0.04 -0.14 -0.01 0.00 0.08 0.00 0.00 32.23 32.20 1vre h LYS 84 CO -0.07 0.41 -0.04 0.00 -0.57 0.00 0.00 179.45 179.18 1vre h ALA 85 N 1.64 0.43 -0.84 3.86 0.00 -1.16 -2.28 119.26 120.92 1vre h ALA 85 Ca 0.57 -0.26 0.05 0.00 0.00 0.00 0.00 54.91 55.26 1vre h ALA 85 Cb 1.06 -0.11 -0.05 0.00 0.00 0.00 0.00 17.79 18.69 1vre h ALA 85 CO -0.34 0.22 0.55 0.28 0.00 0.00 0.00 179.25 179.96 1vre h VAL 86 N 0.36 1.10 -0.07 0.00 2.07 0.09 -1.80 116.25 118.00 1vre h VAL 86 Ca 0.08 -0.34 -0.00 0.00 0.82 0.00 0.00 66.70 67.26 1vre h VAL 86 Cb 0.50 0.02 -0.00 0.00 -1.52 0.00 0.00 31.29 30.29 1vre h VAL 86 CO 0.02 0.18 0.03 1.23 0.02 0.00 0.00 177.57 179.05 1vre h GLY 87 N 0.99 0.12 0.17 2.17 0.00 -0.94 -2.36 103.07 103.22 1vre h GLY 87 Ca 0.34 -0.07 0.20 0.00 0.00 0.00 0.00 47.33 47.80 1vre h GLY 87 CO -0.11 0.06 0.61 -2.08 0.00 0.00 0.00 176.54 175.02 1vre h VAL 88 N -0.04 0.70 -0.04 4.60 2.07 -0.77 0.79 116.25 123.55 1vre h VAL 88 Ca 0.02 -0.23 0.01 0.00 0.82 0.00 0.00 66.70 67.33 1vre h VAL 88 Cb 0.17 -0.02 -0.00 0.00 -1.52 0.00 0.00 31.29 29.92 1vre h VAL 88 CO -0.00 0.12 0.05 0.03 0.02 0.00 0.00 177.57 177.79 1vre h ARG 89 N 0.66 0.00 -0.64 1.57 -0.00 -0.84 0.17 114.38 115.30 1vre h ARG 89 Ca 0.55 0.00 0.00 0.00 -0.50 0.00 0.00 59.98 60.03 1vre h ARG 89 Cb 0.99 0.00 0.00 0.00 0.00 0.00 0.00 29.97 30.96 1vre h ARG 89 CO -0.32 0.00 0.00 0.72 0.00 0.00 0.00 179.97 180.37 1vre n HIS 90 N -3.88 0.63 0.02 3.04 8.25 0.28 -4.02 115.22 119.54 1vre n HIS 90 Ca -0.02 -0.24 -0.01 0.00 -0.26 0.00 0.00 57.72 57.19 1vre n HIS 90 Cb 0.14 -0.16 -0.01 0.00 1.12 0.00 0.00 29.99 31.08 1vre n HIS 90 CO 0.00 0.00 0.00 -0.22 0.64 0.00 0.00 176.34 176.76 1vre h LYS 91 N 1.53 -0.08 -1.15 -0.41 3.64 -0.67 -3.44 116.57 116.00 1vre h LYS 91 Ca 0.00 0.01 -0.38 0.00 -1.27 0.00 0.00 60.65 59.01 1vre h LYS 91 Cb 0.80 0.02 -0.33 0.00 -0.41 0.00 0.00 32.23 32.31 1vre h LYS 91 CO 0.12 -0.05 -0.97 0.41 -2.27 0.00 0.00 179.45 176.68 1vre n GLY 92 N 1.21 2.24 0.00 5.01 0.00 -1.26 -4.49 105.19 107.90 1vre n GLY 92 Ca -0.01 -1.11 0.00 0.00 0.00 0.00 0.00 46.02 44.90 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 0.10 0.00 -0.10 1.61 4.02 -1.26 -4.77 117.16 116.77 1vre n TYR 93 Ca 0.14 0.00 -0.13 0.00 -0.01 0.00 0.00 57.90 57.90 1vre n TYR 93 Cb 0.73 0.00 -0.05 0.00 -0.02 0.00 0.00 39.34 40.01 1vre n TYR 93 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 176.86 176.26 1vre n GLY 94 N 4.04 -0.66 0.09 2.72 0.00 -1.26 -4.54 105.19 105.57 1vre n GLY 94 Ca 0.00 -0.21 -0.05 0.00 0.00 0.00 0.00 46.02 45.76 1vre n GLY 94 CO 0.00 0.00 0.00 -0.57 0.00 0.00 0.00 173.32 172.75 1vre h ASN 95 N -1.00 0.00 0.00 1.61 -1.24 -1.90 -3.47 115.58 109.58 1vre h ASN 95 Ca -0.16 0.00 0.00 0.00 0.71 0.00 0.00 56.30 56.85 1vre h ASN 95 Cb 1.01 0.00 0.00 0.00 0.73 0.00 0.00 38.32 40.06 1vre h ASN 95 CO -0.10 0.85 0.00 1.17 -1.29 0.00 0.00 177.43 178.06 1vre n LYS 96 N -3.17 0.00 0.00 6.67 4.81 -1.26 -4.70 118.16 120.50 1vre n LYS 96 Ca -0.06 0.00 0.00 0.00 -0.87 0.00 0.00 58.31 57.38 1vre n LYS 96 Cb 0.92 -0.04 0.00 0.00 0.02 0.00 0.00 35.03 35.93 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 0.00 0.00 -1.14 5.64 8.25 -1.26 -4.42 115.22 122.28 1vre n HIS 97 Ca 0.00 0.00 0.05 0.00 -0.26 0.00 0.00 57.72 57.51 1vre n HIS 97 Cb 0.00 0.00 -0.03 0.00 1.12 0.00 0.00 29.99 31.08 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 0.00 -1.59 -3.55 1.59 5.41 -1.26 -4.89 119.36 115.06 1vre n ILE 98 Ca 0.00 0.95 -0.17 0.00 1.00 0.00 0.00 62.75 64.53 1vre n ILE 98 Cb 0.00 -1.53 -0.06 0.00 -0.71 0.00 0.00 39.64 37.34 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 -4.63 1.01 0.01 0.38 3.01 -1.26 -5.01 119.74 113.25 1vre s LYS 99 Ca 0.00 0.13 0.26 0.00 -1.01 0.00 0.00 55.97 55.35 1vre s LYS 99 Cb 0.00 0.47 1.09 0.00 -1.01 0.00 0.00 37.83 38.39 1vre s LYS 99 CO 0.00 -0.32 1.83 0.00 0.51 0.00 0.00 175.35 177.36 1vre n ALA 100 N 0.87 2.18 -0.02 5.17 0.00 -1.26 -3.24 120.51 124.21 1vre n ALA 100 Ca -0.19 -0.09 -0.05 0.00 0.00 0.00 0.00 53.44 53.11 1vre n ALA 100 Cb 0.57 -1.42 0.15 0.00 0.00 0.00 0.00 19.45 18.75 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 0.59 0.00 0.00 5.08 -2.01 -2.64 114.58 115.60 1vre h GLU 101 Ca 0.00 -0.24 0.00 0.00 -1.00 0.00 0.00 59.36 58.12 1vre h GLU 101 Cb 0.45 -0.03 0.00 0.00 0.50 0.00 0.00 28.75 29.68 1vre h GLU 101 CO 0.00 0.80 -0.09 1.88 -1.00 0.00 0.00 179.01 180.59 1vre h TYR 102 N 0.52 0.00 0.62 4.33 -1.99 -1.98 -3.35 116.97 115.12 1vre h TYR 102 Ca 0.07 0.00 -0.02 0.00 2.00 0.00 0.00 58.73 60.78 1vre h TYR 102 Cb 0.71 0.00 -0.00 0.00 2.00 0.00 0.00 36.73 39.44 1vre h TYR 102 CO 0.03 0.00 -0.38 0.74 -0.00 0.00 0.00 178.16 178.55 1vre h PHE 103 N 0.00 -1.00 0.25 4.88 -1.00 -1.57 0.32 116.94 118.82 1vre h PHE 103 Ca 0.00 -0.01 0.01 0.00 2.81 0.00 0.00 57.97 60.78 1vre h PHE 103 Cb 0.82 0.36 -0.04 0.00 3.61 0.00 0.00 35.95 40.70 1vre h PHE 103 CO 0.00 -0.57 -0.43 0.93 -1.61 0.00 0.00 178.31 176.62 1vre h GLU 104 N -0.94 -0.73 0.07 1.51 5.08 -1.69 0.59 114.58 118.47 1vre h GLU 104 Ca -0.08 0.05 0.01 0.00 -1.00 0.00 0.00 59.36 58.35 1vre h GLU 104 Cb 0.76 0.17 -0.04 0.00 0.50 0.00 0.00 28.75 30.14 1vre h GLU 104 CO 0.08 -0.49 -0.42 -1.35 -1.00 0.00 0.00 179.01 175.83 1vre h PRO 105 N -0.76 -0.56 -0.30 2.33 0.11 -1.67 0.41 132.00 131.56 1vre h PRO 105 Ca -0.01 0.04 0.09 0.00 0.11 0.00 0.00 66.00 66.23 1vre h PRO 105 Cb 0.73 0.13 -0.01 0.00 0.11 0.00 0.00 31.00 31.95 1vre h PRO 105 CO -0.17 -0.37 0.38 1.25 -0.21 0.00 0.00 178.00 178.87 1vre h LEU 106 N -0.58 0.00 0.04 2.35 7.12 -0.15 -0.87 115.31 123.23 1vre h LEU 106 Ca -0.00 0.00 -0.00 0.00 0.13 0.00 0.00 57.88 58.01 1vre h LEU 106 Cb 0.59 0.00 0.00 0.00 -0.53 0.00 0.00 40.66 40.72 1vre h LEU 106 CO -0.24 0.00 -0.02 1.23 -0.13 0.00 0.00 178.44 179.28 1vre h GLY 107 N 0.00 -0.06 0.43 3.75 0.00 0.41 -2.88 103.07 104.72 1vre h GLY 107 Ca 0.14 0.02 0.02 0.00 0.00 0.00 0.00 47.33 47.51 1vre h GLY 107 CO -0.00 -0.02 -0.31 0.00 0.00 0.00 0.00 176.54 176.20 1vre h ALA 108 N 0.06 -0.53 -0.18 3.60 0.00 0.92 0.25 119.26 123.37 1vre h ALA 108 Ca -0.01 -0.05 0.05 0.00 0.00 0.00 0.00 54.91 54.91 1vre h ALA 108 Cb 0.67 0.52 -0.01 0.00 0.00 0.00 0.00 17.79 18.97 1vre h ALA 108 CO 0.01 -0.85 0.37 0.77 0.00 0.00 0.00 179.25 179.55 1vre h SER 109 N -0.53 0.00 -0.10 0.00 0.02 -1.50 -0.29 113.55 111.16 1vre h SER 109 Ca 0.03 0.00 -0.01 0.00 -0.84 0.00 0.00 61.79 60.97 1vre h SER 109 Cb 0.57 0.00 -0.00 0.00 0.14 0.00 0.00 62.40 63.10 1vre h SER 109 CO -0.19 0.00 0.01 0.25 -1.14 0.00 0.00 176.83 175.75 1vre h LEU 110 N 0.00 0.16 -1.35 5.07 6.46 -0.28 -2.12 115.31 123.25 1vre h LEU 110 Ca 0.09 -0.29 0.06 0.00 -0.12 0.00 0.00 57.88 57.62 1vre h LEU 110 Cb 0.83 -0.04 -0.05 0.00 -0.73 0.00 0.00 40.66 40.67 1vre h LEU 110 CO -0.00 0.41 0.49 -0.07 -0.62 0.00 0.00 178.44 178.65 1vre h LEU 111 N -0.10 0.69 -0.98 2.25 3.38 -0.87 0.22 115.31 119.90 1vre h LEU 111 Ca 0.03 0.00 -0.09 0.00 0.09 0.00 0.00 57.88 57.91 1vre h LEU 111 Cb 0.33 -0.14 -0.01 0.00 0.09 0.00 0.00 40.66 40.92 1vre h LEU 111 CO 0.00 0.45 -0.28 -1.28 0.09 0.00 0.00 178.44 177.42 1vre h SER 112 N 0.79 0.40 1.31 -0.43 0.87 -1.41 -2.74 113.55 112.34 1vre h SER 112 Ca 0.32 -0.14 -0.13 0.00 -1.23 0.00 0.00 61.79 60.62 1vre h SER 112 Cb 0.25 -0.11 -0.02 0.00 -0.44 0.00 0.00 62.40 62.08 1vre h SER 112 CO -0.11 0.67 -0.71 0.00 -0.53 0.00 0.00 176.83 176.15 1vre h ALA 113 N 1.36 0.63 -0.29 6.23 0.00 -0.40 -3.32 119.26 123.47 1vre h ALA 113 Ca 0.05 -0.57 0.02 0.00 0.00 0.00 0.00 54.91 54.41 1vre h ALA 113 Cb 0.68 -0.03 -0.03 0.00 0.00 0.00 0.00 17.79 18.41 1vre h ALA 113 CO 0.05 0.75 0.13 0.52 0.00 0.00 0.00 179.25 180.70 1vre h MET 114 N 0.00 0.28 -0.35 0.00 2.07 -0.33 -0.99 114.93 115.60 1vre h MET 114 Ca -0.03 -0.02 0.10 0.00 -2.07 0.00 0.00 59.70 57.68 1vre h MET 114 Cb 1.46 -0.06 -0.01 0.00 -1.87 0.00 0.00 31.60 31.12 1vre h MET 114 CO 0.07 0.18 0.58 1.05 1.07 0.00 0.00 176.91 179.86 1vre h GLU 115 N 0.29 0.00 -0.97 1.72 4.11 -1.65 -0.29 114.58 117.79 1vre h GLU 115 Ca 0.12 0.00 0.20 0.00 0.07 0.00 0.00 59.36 59.75 1vre h GLU 115 Cb 0.05 0.00 -0.11 0.00 0.50 0.00 0.00 28.75 29.19 1vre h GLU 115 CO -0.09 0.00 0.55 0.45 0.07 0.00 0.00 179.01 179.99 1vre h HIS 116 N 0.00 0.96 0.00 2.06 3.86 -1.37 1.49 115.15 122.15 1vre h HIS 116 Ca 0.17 0.04 -0.07 0.00 -1.16 0.00 0.00 60.37 59.35 1vre h HIS 116 Cb 1.32 -0.28 -0.01 0.00 1.06 0.00 0.00 27.41 29.50 1vre h HIS 116 CO 0.00 0.15 -0.57 -0.09 0.86 0.00 0.00 177.93 178.27 1vre h ARG 117 N 0.65 0.00 -2.01 2.45 1.12 -1.23 -3.39 114.38 111.97 1vre h ARG 117 Ca 0.58 0.00 -0.74 0.00 -1.11 0.00 0.00 59.98 58.71 1vre h ARG 117 Cb 0.97 0.00 -0.30 0.00 -0.01 0.00 0.00 29.97 30.63 1vre h ARG 117 CO -0.42 0.39 0.68 0.44 -3.11 0.00 0.00 179.97 177.94 1vre n ILE 118 N -4.59 4.00 0.32 1.20 -5.35 -1.13 -4.71 119.36 109.09 1vre n ILE 118 Ca -0.13 -4.89 0.21 0.00 -0.27 0.00 0.00 62.75 57.67 1vre n ILE 118 Cb 0.36 -1.33 1.06 0.00 -1.74 0.00 0.00 39.64 37.98 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 3.23 0.00 0.65 3.28 0.00 0.19 1.08 103.07 111.50 1vre h GLY 119 Ca 0.49 0.00 -0.29 0.00 0.00 0.00 0.00 47.33 47.53 1vre h GLY 119 CO 1.25 0.00 -1.89 0.61 0.00 0.00 0.00 176.54 176.50 1vre n GLY 120 N -0.74 -1.02 0.08 4.60 0.00 -1.26 -4.24 105.19 102.60 1vre n GLY 120 Ca -0.02 -0.15 0.04 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 -2.91 0.64 -1.76 1.61 4.01 -0.77 -4.73 118.16 114.24 1vre n LYS 121 Ca -0.21 0.05 -0.19 0.00 -0.51 0.00 0.00 58.31 57.45 1vre n LYS 121 Cb 1.05 -1.69 -0.07 0.00 -0.51 0.00 0.00 35.03 33.80 1vre n LYS 121 CO 0.00 0.00 0.00 1.41 -1.11 0.00 0.00 177.40 177.70 1vre s MET 122 N -3.13 1.84 0.00 1.97 1.75 0.37 -4.88 119.30 117.22 1vre s MET 122 Ca -0.05 -0.15 0.00 0.00 -1.25 0.00 0.00 55.69 54.24 1vre s MET 122 Cb 0.10 -4.96 0.00 0.00 2.84 0.00 0.00 34.83 32.81 1vre s MET 122 CO 0.84 -4.40 0.00 0.27 -0.65 0.00 0.00 175.02 171.08 1vre n ASN 123 N 17.24 0.00 -0.11 1.11 6.94 -1.26 -4.86 115.26 134.33 1vre n ASN 123 Ca 0.44 -0.87 -0.14 0.00 -0.02 0.00 0.00 54.58 53.98 1vre n ASN 123 Cb 0.45 0.00 -0.03 0.00 -2.36 0.00 0.00 39.78 37.85 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 -1.18 0.54 -0.08 -2.53 0.00 -1.99 -2.64 119.26 111.38 1vre h ALA 124 Ca 0.00 -0.48 -0.06 0.00 0.00 0.00 0.00 54.91 54.38 1vre h ALA 124 Cb 0.00 -0.11 -0.01 0.00 0.00 0.00 0.00 17.79 17.67 1vre h ALA 124 CO 0.00 0.68 -0.21 0.00 0.00 0.00 0.00 179.25 179.72 1vre h ALA 125 N 0.74 1.51 0.06 0.00 0.00 -1.96 0.27 119.26 119.88 1vre h ALA 125 Ca 0.05 -0.23 -0.00 0.00 0.00 0.00 0.00 54.91 54.72 1vre h ALA 125 Cb 1.04 -0.06 0.00 0.00 0.00 0.00 0.00 17.79 18.77 1vre h ALA 125 CO 0.11 0.36 -0.03 0.00 0.00 0.00 0.00 179.25 179.68 1vre h ALA 126 N 1.67 -0.08 0.00 0.00 0.00 -1.83 1.00 119.26 120.02 1vre h ALA 126 Ca 0.02 -0.16 -0.08 0.00 0.00 0.00 0.00 54.91 54.69 1vre h ALA 126 Cb 0.45 0.03 -0.01 0.00 0.00 0.00 0.00 17.79 18.25 1vre h ALA 126 CO 0.03 -0.39 -0.40 1.57 0.00 0.00 0.00 179.25 180.06 1vre h LYS 127 N -0.39 0.00 0.06 0.00 2.10 -1.23 -1.23 116.57 115.88 1vre h LYS 127 Ca -0.01 0.00 -0.24 0.00 -2.00 0.00 0.00 60.65 58.41 1vre h LYS 127 Cb 0.35 0.00 -0.01 0.00 -0.90 0.00 0.00 32.23 31.66 1vre h LYS 127 CO 0.01 0.40 -1.08 0.22 -2.00 0.00 0.00 179.45 177.00 1vre h ASP 128 N 0.00 0.22 -0.05 7.07 3.58 -0.24 -1.17 116.42 125.83 1vre h ASP 128 Ca -0.00 -0.23 -0.05 0.00 0.42 0.00 0.00 57.03 57.17 1vre h ASP 128 Cb 0.84 -0.07 0.00 0.00 1.72 0.00 0.00 39.33 41.82 1vre h ASP 128 CO 0.05 1.15 -0.16 0.00 -2.88 0.00 0.00 179.24 177.41 1vre h ALA 129 N 0.82 0.09 0.00 -0.78 0.00 0.13 -3.05 119.26 116.46 1vre h ALA 129 Ca -0.07 -0.37 -0.02 0.00 0.00 0.00 0.00 54.91 54.45 1vre h ALA 129 Cb 1.81 -0.01 -0.00 0.00 0.00 0.00 0.00 17.79 19.59 1vre h ALA 129 CO 0.16 0.01 -0.09 -1.49 0.00 0.00 0.00 179.25 177.85 1vre h TRP 130 N -0.34 0.00 -0.82 0.00 6.55 -1.32 -2.78 115.95 117.25 1vre h TRP 130 Ca -0.00 0.00 0.18 0.00 0.95 0.00 0.00 58.89 60.01 1vre h TRP 130 Cb 0.78 0.00 -0.06 0.00 -0.86 0.00 0.00 29.16 29.02 1vre h TRP 130 CO 0.13 0.09 0.55 0.00 -1.05 0.00 0.00 178.44 178.15 1vre h ALA 131 N 1.91 2.19 0.00 1.49 0.00 -1.09 0.18 119.26 123.94 1vre h ALA 131 Ca -0.00 0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.91 1vre h ALA 131 Cb 0.65 -0.04 0.00 0.00 0.00 0.00 0.00 17.79 18.40 1vre h ALA 131 CO 0.01 -0.42 -1.33 0.00 0.00 0.00 0.00 179.25 177.51 1vre n ALA 132 N -2.53 3.51 -0.01 0.00 0.00 -1.07 -3.86 120.51 116.56 1vre n ALA 132 Ca 0.16 -0.48 -0.00 0.00 0.00 0.00 0.00 53.44 53.12 1vre n ALA 132 Cb 0.62 -0.86 -0.00 0.00 0.00 0.00 0.00 19.45 19.21 1vre n ALA 132 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1vre h ALA 133 N 2.46 0.00 -0.06 0.00 0.00 -0.52 -1.61 119.26 119.53 1vre h ALA 133 Ca 0.00 -0.05 0.02 0.00 0.00 0.00 0.00 54.91 54.88 1vre h ALA 133 Cb 0.77 0.02 -0.00 0.00 0.00 0.00 0.00 17.79 18.57 1vre h ALA 133 CO 0.00 0.02 0.25 0.10 0.00 0.00 0.00 179.25 179.61 1vre h TYR 134 N -0.22 0.00 0.01 0.00 -0.00 -1.31 1.02 116.97 116.47 1vre h TYR 134 Ca 0.00 0.00 -0.04 0.00 0.00 0.00 0.00 58.73 58.69 1vre h TYR 134 Cb 0.02 0.00 -0.00 0.00 0.00 0.00 0.00 36.73 36.75 1vre h TYR 134 CO -0.01 0.00 -0.18 0.00 -0.00 0.00 0.00 178.16 177.97 1vre h ALA 135 N 1.56 0.02 0.00 0.10 0.00 -1.67 -2.88 119.26 116.39 1vre h ALA 135 Ca 0.03 -0.58 -0.09 0.00 0.00 0.00 0.00 54.91 54.27 1vre h ALA 135 Cb 0.52 0.08 -0.01 0.00 0.00 0.00 0.00 17.79 18.38 1vre h ALA 135 CO -0.00 0.10 -0.43 -0.44 0.00 0.00 0.00 179.25 178.48 1vre h ASP 136 N -0.95 0.00 0.54 0.00 3.32 -0.15 -2.45 116.42 116.74 1vre h ASP 136 Ca -0.04 0.00 -0.03 0.00 0.02 0.00 0.00 57.03 56.98 1vre h ASP 136 Cb 1.08 0.00 0.01 0.00 0.22 0.00 0.00 39.33 40.63 1vre h ASP 136 CO -0.01 0.43 -0.26 0.40 -1.72 0.00 0.00 179.24 178.08 1vre h ILE 137 N 0.00 0.00 0.00 0.35 2.04 0.93 -2.25 117.51 118.58 1vre h ILE 137 Ca -0.00 -0.35 0.00 0.00 1.00 0.00 0.00 64.86 65.51 1vre h ILE 137 Cb 0.99 0.00 0.00 0.00 -0.74 0.00 0.00 36.82 37.07 1vre h ILE 137 CO 0.06 0.00 0.00 -1.20 0.00 0.00 0.00 178.15 177.01 1vre n SER 138 N -4.92 0.52 0.11 1.72 7.64 -1.08 -1.72 113.62 115.88 1vre n SER 138 Ca -0.09 0.71 -0.18 0.00 1.01 0.00 0.00 58.87 60.32 1vre n SER 138 Cb 0.29 -0.79 -0.14 0.00 -1.01 0.00 0.00 64.21 62.55 1vre n SER 138 CO 0.00 0.00 0.00 1.23 -3.01 0.00 0.00 175.04 173.26 1vre h GLY 139 N 0.66 0.37 2.00 0.23 0.00 -1.24 -3.26 103.07 101.84 1vre h GLY 139 Ca 0.00 -0.95 -0.07 0.00 0.00 0.00 0.00 47.33 46.31 1vre h GLY 139 CO 0.00 0.83 -0.34 0.00 0.00 0.00 0.00 176.54 177.03 1vre h ALA 140 N 0.49 1.22 0.00 3.60 0.00 -0.73 -2.17 119.26 121.68 1vre h ALA 140 Ca -0.17 -0.31 0.00 0.00 0.00 0.00 0.00 54.91 54.43 1vre h ALA 140 Cb 2.02 -0.05 0.00 0.00 0.00 0.00 0.00 17.79 19.75 1vre h ALA 140 CO 0.21 0.43 0.00 -0.11 0.00 0.00 0.00 179.25 179.78 1vre n LEU 141 N -3.83 0.00 -1.18 0.00 0.00 -1.19 -2.82 117.00 107.99 1vre n LEU 141 Ca -0.01 0.28 0.04 0.00 0.00 0.00 0.00 56.01 56.32 1vre n LEU 141 Cb 0.42 -0.28 0.21 0.00 0.00 0.00 0.00 43.42 43.77 1vre n LEU 141 CO 0.37 -0.08 0.60 -0.38 0.00 0.00 0.00 177.39 177.89 1vre n ILE 142 N -1.28 1.35 -0.05 1.96 2.08 -0.81 -3.83 119.36 118.77 1vre n ILE 142 Ca 0.10 -0.72 -0.05 0.00 0.56 0.00 0.00 62.75 62.65 1vre n ILE 142 Cb 0.17 -0.29 -0.02 0.00 -0.75 0.00 0.00 39.64 38.76 1vre n ILE 142 CO 0.00 0.00 0.00 -1.20 0.56 0.00 0.00 176.55 175.91 1vre n SER 143 N 0.38 1.24 0.26 4.38 7.64 -1.13 -4.40 113.62 122.00 1vre n SER 143 Ca 0.15 0.36 0.14 0.00 1.01 0.00 0.00 58.87 60.53 1vre n SER 143 Cb 0.70 -0.70 0.68 0.00 -1.01 0.00 0.00 64.21 63.88 1vre n SER 143 CO 0.00 0.00 0.00 1.23 -3.01 0.00 0.00 175.04 173.26 1vre h GLY 144 N -0.66 0.00 0.00 0.23 0.00 -1.75 -3.44 103.07 97.46 1vre h GLY 144 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.33 1vre h GLY 144 CO 0.00 0.00 0.00 -0.10 0.00 0.00 0.00 176.54 176.44 1vre n LEU 145 N -3.33 0.00 -2.79 3.11 0.00 -1.25 -4.04 117.00 108.70 1vre n LEU 145 Ca -0.01 0.00 -0.01 0.00 0.00 0.00 0.00 56.01 55.99 1vre n LEU 145 Cb 0.30 0.00 -0.01 0.00 0.00 0.00 0.00 43.42 43.71 1vre n LEU 145 CO 0.29 -1.29 -0.51 0.00 0.00 0.00 0.00 177.39 175.89 1vre n GLN 146 N -1.42 -3.13 0.00 1.96 6.02 -1.26 -4.86 117.38 114.70 1vre n GLN 146 Ca 0.00 2.55 0.00 0.00 -0.01 0.00 0.00 57.00 59.54 1vre n GLN 146 Cb 0.00 -4.38 0.00 0.00 1.02 0.00 0.00 30.24 26.88 1vre n GLN 146 CO 0.00 0.00 0.00 -1.13 -1.01 0.00 0.00 177.06 174.92