#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1vre s LEU 2 N 0.00 2.46 0.00 0.99 1.43 -1.26 -5.05 118.68 117.25 1vre s LEU 2 Ca 0.00 0.72 0.00 0.00 -1.03 0.00 0.00 54.13 53.82 1vre s LEU 2 Cb 0.00 -3.11 0.00 0.00 0.03 0.00 0.00 46.19 43.11 1vre s LEU 2 CO 0.00 -2.14 0.00 -1.54 0.23 0.00 0.00 176.35 172.90 1vre n SER 3 N -3.46 1.87 0.06 2.29 3.41 -1.26 -4.95 113.62 111.59 1vre n SER 3 Ca 0.09 -0.99 0.13 0.00 -0.26 0.00 0.00 58.87 57.84 1vre n SER 3 Cb 0.61 0.00 0.39 0.00 -0.26 0.00 0.00 64.21 64.95 1vre n SER 3 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 1vre n ALA 4 N -3.00 2.54 -0.09 7.33 0.00 -1.26 -2.47 120.51 123.56 1vre n ALA 4 Ca 0.00 -0.12 -0.11 0.00 0.00 0.00 0.00 53.44 53.21 1vre n ALA 4 Cb 0.00 -1.38 -0.15 0.00 0.00 0.00 0.00 19.45 17.92 1vre n ALA 4 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1vre n ALA 5 N -1.71 1.48 0.07 0.00 0.00 -1.26 -4.20 120.51 114.89 1vre n ALA 5 Ca 0.05 -1.22 -0.22 0.00 0.00 0.00 0.00 53.44 52.06 1vre n ALA 5 Cb 0.40 -0.27 -0.15 0.00 0.00 0.00 0.00 19.45 19.44 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 0.00 0.36 -0.81 0.00 4.20 -1.96 -3.10 115.11 113.80 1vre h GLN 6 Ca -0.52 -0.61 0.16 0.00 0.06 0.00 0.00 58.65 57.74 1vre h GLN 6 Cb 2.17 0.23 -0.06 0.00 0.30 0.00 0.00 27.48 30.12 1vre h GLN 6 CO 0.02 1.29 0.54 0.07 -0.67 0.00 0.00 178.83 180.09 1vre h ARG 7 N -0.20 0.46 -0.06 1.46 0.11 -1.71 -0.09 114.38 114.35 1vre h ARG 7 Ca -0.21 -0.03 -0.05 0.00 0.10 0.00 0.00 59.98 59.80 1vre h ARG 7 Cb 1.82 -0.10 0.00 0.00 1.11 0.00 0.00 29.97 32.80 1vre h ARG 7 CO 0.17 0.30 -0.14 1.96 0.10 0.00 0.00 179.97 182.36 1vre h GLN 8 N 0.47 0.20 0.00 0.08 1.08 -1.73 -2.76 115.11 112.45 1vre h GLN 8 Ca 0.41 -0.13 -0.00 0.00 -1.45 0.00 0.00 58.65 57.47 1vre h GLN 8 Cb 0.89 0.02 -0.00 0.00 -0.05 0.00 0.00 27.48 28.34 1vre h GLN 8 CO -0.15 0.74 -0.00 0.28 -0.95 0.00 0.00 178.83 178.75 1vre h VAL 9 N -0.32 0.71 -0.03 -0.54 2.07 -1.19 -0.40 116.25 116.55 1vre h VAL 9 Ca -0.00 -0.01 -0.02 0.00 0.82 0.00 0.00 66.70 67.49 1vre h VAL 9 Cb 0.74 1.01 -0.00 0.00 -1.52 0.00 0.00 31.29 31.52 1vre h VAL 9 CO 0.03 0.00 -0.04 0.58 0.02 0.00 0.00 177.57 178.16 1vre h VAL 10 N 0.00 1.41 0.00 2.57 2.07 -0.92 -1.90 116.25 119.48 1vre h VAL 10 Ca -0.00 -1.29 0.00 0.00 0.82 0.00 0.00 66.70 66.23 1vre h VAL 10 Cb 0.01 2.21 0.00 0.00 -1.52 0.00 0.00 31.29 31.98 1vre h VAL 10 CO 0.00 0.34 0.00 0.00 0.02 0.00 0.00 177.57 177.93 1vre h ALA 11 N 0.49 1.00 0.00 1.67 0.00 -1.13 -2.19 119.26 119.10 1vre h ALA 11 Ca 0.00 0.00 -0.16 0.00 0.00 0.00 0.00 54.91 54.76 1vre h ALA 11 Cb 0.58 0.00 -0.03 0.00 0.00 0.00 0.00 17.79 18.35 1vre h ALA 11 CO 0.01 0.00 -1.07 0.77 0.00 0.00 0.00 179.25 178.96 1vre h SER 12 N 0.00 0.00 0.23 0.00 0.02 -0.94 -3.25 113.55 109.61 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 0.48 0.00 0.00 0.00 0.14 0.00 0.00 62.40 63.02 1vre h SER 12 CO 0.00 0.62 -0.73 0.35 -1.14 0.00 0.00 176.83 175.93 1vre n THR 13 N -3.06 0.00 0.33 -2.27 -2.24 -0.73 -4.03 114.28 102.28 1vre n THR 13 Ca -0.05 -0.01 0.11 0.00 -2.27 0.00 0.00 64.05 61.83 1vre n THR 13 Cb 0.82 0.65 0.01 0.00 -2.10 0.00 0.00 70.33 69.72 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 -1.41 0.53 0.71 4.78 -0.00 -0.85 -3.38 117.44 117.81 1vre n TRP 14 Ca 0.05 0.15 0.13 0.00 -0.00 0.00 0.00 57.50 57.84 1vre n TRP 14 Cb 0.34 -0.66 0.45 0.00 -0.00 0.00 0.00 31.31 31.44 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 -2.28 0.20 -0.11 5.87 5.02 -1.23 -1.90 118.16 123.74 1vre n LYS 15 Ca 0.01 0.17 -0.18 0.00 -2.02 0.00 0.00 58.31 56.29 1vre n LYS 15 Cb 0.49 -1.74 -0.06 0.00 -0.02 0.00 0.00 35.03 33.71 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 -2.09 1.93 0.22 4.39 8.00 -1.25 -3.24 116.55 124.51 1vre n ASP 16 Ca 0.06 0.36 0.06 0.00 0.71 0.00 0.00 54.79 55.98 1vre n ASP 16 Cb 0.41 -0.80 0.50 0.00 -0.02 0.00 0.00 41.12 41.21 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 -1.00 1.04 -0.71 0.53 2.04 -1.70 -2.53 117.51 115.18 1vre h ILE 17 Ca -0.30 -0.84 -0.47 0.00 1.00 0.00 0.00 64.86 64.24 1vre h ILE 17 Cb 1.23 1.47 -0.29 0.00 -0.74 0.00 0.00 36.82 38.49 1vre h ILE 17 CO -0.18 0.23 -0.06 0.00 0.00 0.00 0.00 178.15 178.14 1vre n ALA 18 N -2.44 5.22 -1.00 1.87 0.00 -0.80 -3.01 120.51 120.35 1vre n ALA 18 Ca -0.02 -3.48 0.00 0.00 0.00 0.00 0.00 53.44 49.94 1vre n ALA 18 Cb 0.30 -0.90 0.00 0.00 0.00 0.00 0.00 19.45 18.85 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 -2.41 1.03 0.00 0.00 -0.96 -3.07 105.19 98.87 1vre n GLY 19 Ca 0.47 0.04 0.09 0.00 0.00 0.00 0.00 46.02 46.62 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 -0.19 3.48 -0.00 1.61 3.41 -1.26 -4.31 113.62 116.35 1vre n SER 20 Ca 0.00 -1.99 0.00 0.00 -0.26 0.00 0.00 58.87 56.62 1vre n SER 20 Cb 0.00 -0.37 -0.00 0.00 -0.26 0.00 0.00 64.21 63.58 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 1.14 1.19 -0.39 4.04 5.68 -1.26 -4.98 116.55 121.97 1vre n ASP 21 Ca 0.19 -0.39 -0.05 0.00 -0.50 0.00 0.00 54.79 54.03 1vre n ASP 21 Cb 0.53 1.01 -0.02 0.00 -1.14 0.00 0.00 41.12 41.50 1vre n ASP 21 CO 0.00 0.00 0.00 -3.20 -1.33 0.00 0.00 177.20 172.67 1vre n ASN 22 N -1.14 -5.28 0.00 -1.12 2.85 -1.17 -1.14 115.26 108.26 1vre n ASN 22 Ca 0.00 0.13 0.00 0.00 -0.11 0.00 0.00 54.58 54.60 1vre n ASN 22 Cb 0.01 -3.23 0.00 0.00 1.24 0.00 0.00 39.78 37.80 1vre n ASN 22 CO 0.00 0.00 0.00 0.61 -2.11 0.00 0.00 177.26 175.76 1vre n GLY 23 N -0.14 0.89 0.38 8.20 0.00 -1.16 -4.19 105.19 109.16 1vre n GLY 23 Ca -0.05 -0.13 0.21 0.00 0.00 0.00 0.00 46.02 46.05 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 2.04 -0.25 4.61 0.00 -1.40 1.46 119.26 125.72 1vre h ALA 24 Ca 0.00 0.10 0.00 0.00 0.00 0.00 0.00 54.91 55.01 1vre h ALA 24 Cb 0.00 0.03 0.00 0.00 0.00 0.00 0.00 17.79 17.82 1vre h ALA 24 CO 0.00 -0.49 0.00 0.41 0.00 0.00 0.00 179.25 179.17 1vre n GLY 25 N -1.39 1.08 0.08 0.00 0.00 -1.26 -3.53 105.19 100.16 1vre n GLY 25 Ca 0.27 -0.32 -0.08 0.00 0.00 0.00 0.00 46.02 45.89 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 0.27 1.17 -0.03 1.61 0.31 0.50 -4.12 118.33 118.04 1vre n VAL 26 Ca 0.10 -0.75 -0.17 0.00 -0.01 0.00 0.00 64.34 63.51 1vre n VAL 26 Cb 0.40 -0.49 -0.14 0.00 -0.91 0.00 0.00 33.84 32.70 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 1.86 -0.66 0.24 2.92 0.00 -1.18 -2.31 105.19 106.06 1vre n GLY 27 Ca -0.28 -0.22 0.03 0.00 0.00 0.00 0.00 46.02 45.56 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 0.04 0.20 0.00 1.61 2.10 -1.74 0.36 116.57 119.13 1vre h LYS 28 Ca -0.42 -0.04 0.00 0.00 -2.00 0.00 0.00 60.65 58.18 1vre h LYS 28 Cb 2.02 -0.03 0.00 0.00 -0.90 0.00 0.00 32.23 33.33 1vre h LYS 28 CO 0.06 0.34 -1.38 -0.85 -2.00 0.00 0.00 179.45 175.61 1vre n GLU 29 N -4.29 0.57 -0.09 0.07 0.28 -1.26 -3.47 120.64 112.45 1vre n GLU 29 Ca -0.01 -0.02 -0.15 0.00 -0.16 0.00 0.00 57.16 56.82 1vre n GLU 29 Cb 0.26 -1.67 -0.08 0.00 1.43 0.00 0.00 31.44 31.37 1vre n GLU 29 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 177.13 176.97 1vre h PHE 31 N -1.00 0.59 -0.66 0.00 -1.00 -0.52 -1.74 116.94 112.61 1vre h PHE 31 Ca -0.21 -0.05 0.04 0.00 2.81 0.00 0.00 57.97 60.56 1vre h PHE 31 Cb 0.99 -0.18 -0.04 0.00 3.61 0.00 0.00 35.95 40.34 1vre h PHE 31 CO -0.00 0.54 0.44 1.15 -1.61 0.00 0.00 178.31 178.82 1vre h THR 32 N 0.56 1.08 -0.00 -1.55 2.02 -1.67 0.32 112.91 113.67 1vre h THR 32 Ca 0.13 -0.27 -0.21 0.00 0.77 0.00 0.00 66.41 66.83 1vre h THR 32 Cb 0.27 0.24 0.02 0.00 -1.74 0.00 0.00 68.15 66.94 1vre h THR 32 CO 0.00 0.14 -0.81 0.11 0.37 0.00 0.00 175.52 175.34 1vre h LYS 33 N 0.78 0.55 -0.21 6.66 1.57 -1.44 -2.68 116.57 121.80 1vre h LYS 33 Ca 0.27 -0.59 -0.01 0.00 -1.87 0.00 0.00 60.65 58.44 1vre h LYS 33 Cb 0.09 0.17 -0.01 0.00 0.08 0.00 0.00 32.23 32.56 1vre h LYS 33 CO -0.08 1.21 0.09 0.35 -0.57 0.00 0.00 179.45 180.45 1vre h PHE 34 N 0.14 0.32 -0.69 -1.35 3.57 -0.64 0.10 116.94 118.39 1vre h PHE 34 Ca -0.10 -0.02 0.05 0.00 3.53 0.00 0.00 57.97 61.43 1vre h PHE 34 Cb 1.49 -0.10 -0.05 0.00 2.79 0.00 0.00 35.95 40.08 1vre h PHE 34 CO 0.13 0.35 0.40 -0.07 -2.23 0.00 0.00 178.31 176.88 1vre h LEU 35 N 0.19 0.61 0.37 0.59 3.38 -0.47 0.39 115.31 120.38 1vre h LEU 35 Ca 0.07 0.02 -0.02 0.00 0.09 0.00 0.00 57.88 58.05 1vre h LEU 35 Cb 0.17 -0.10 0.00 0.00 0.09 0.00 0.00 40.66 40.82 1vre h LEU 35 CO -0.01 0.40 -0.18 -1.28 0.09 0.00 0.00 178.44 177.46 1vre h SER 36 N 0.74 -0.42 -0.33 -0.43 0.87 -1.18 -3.02 113.55 109.77 1vre h SER 36 Ca 0.30 0.01 0.10 0.00 -1.23 0.00 0.00 61.79 60.97 1vre h SER 36 Cb 0.15 0.11 -0.01 0.00 -0.44 0.00 0.00 62.40 62.21 1vre h SER 36 CO -0.17 -0.16 0.44 0.00 -0.53 0.00 0.00 176.83 176.42 1vre h ALA 37 N -1.49 1.97 -3.53 6.23 0.00 -0.75 -3.31 119.26 118.38 1vre h ALA 37 Ca -0.05 -0.01 -0.62 0.00 0.00 0.00 0.00 54.91 54.23 1vre h ALA 37 Cb 0.38 0.02 -0.39 0.00 0.00 0.00 0.00 17.79 17.81 1vre h ALA 37 CO 0.08 -0.62 -0.76 -1.01 0.00 0.00 0.00 179.25 176.95 1vre s HIS 38 N -4.49 2.65 -1.64 0.00 3.76 0.14 -4.95 115.29 110.76 1vre s HIS 38 Ca -0.04 -2.15 0.28 0.00 -0.15 0.00 0.00 55.06 53.00 1vre s HIS 38 Cb 0.14 -2.04 1.03 0.00 1.11 0.00 0.00 32.58 32.82 1vre s HIS 38 CO 0.48 -0.86 1.74 0.72 -0.85 0.00 0.00 174.74 175.97 1vre n HIS 39 N 4.58 0.00 0.16 1.40 -0.00 -1.23 -3.24 115.22 116.91 1vre n HIS 39 Ca -0.04 0.00 0.08 0.00 -0.00 0.00 0.00 57.72 57.76 1vre n HIS 39 Cb 0.43 -0.17 0.08 0.00 -0.00 0.00 0.00 29.99 30.33 1vre n HIS 39 CO 0.00 0.00 0.00 0.38 -0.00 0.00 0.00 176.34 176.72 1vre h ASP 40 N 0.75 0.00 0.00 0.41 2.03 -1.92 -3.31 116.42 114.38 1vre h ASP 40 Ca 0.00 0.00 -0.14 0.00 -0.73 0.00 0.00 57.03 56.16 1vre h ASP 40 Cb 0.42 0.00 -0.03 0.00 -0.83 0.00 0.00 39.33 38.90 1vre h ASP 40 CO 0.00 0.20 -2.09 0.23 -1.03 0.00 0.00 179.24 176.55 1vre n MET 41 N -3.06 0.72 -0.34 4.15 2.81 -1.23 -4.35 117.12 115.82 1vre n MET 41 Ca 0.02 -0.12 0.21 0.00 -1.81 0.00 0.00 57.70 55.99 1vre n MET 41 Cb 0.62 -1.49 0.45 0.00 -0.71 0.00 0.00 33.22 32.09 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 1.52 2.03 0.00 3.04 0.00 -1.64 0.83 119.26 125.05 1vre h ALA 42 Ca -0.20 0.09 -0.13 0.00 0.00 0.00 0.00 54.91 54.67 1vre h ALA 42 Cb 1.42 0.03 -0.02 0.00 0.00 0.00 0.00 17.79 19.22 1vre h ALA 42 CO 0.01 -0.47 -0.63 0.00 0.00 0.00 0.00 179.25 178.16 1vre h ALA 43 N 1.67 0.82 0.63 0.00 0.00 -1.74 -1.21 119.26 119.44 1vre h ALA 43 Ca 0.62 -0.57 -0.03 0.00 0.00 0.00 0.00 54.91 54.93 1vre h ALA 43 Cb 1.39 -0.10 0.01 0.00 0.00 0.00 0.00 17.79 19.09 1vre h ALA 43 CO -0.39 0.78 -0.30 0.28 0.00 0.00 0.00 179.25 179.62 1vre h VAL 44 N 0.00 0.04 -0.89 0.00 2.07 0.45 -3.14 116.25 114.78 1vre h VAL 44 Ca -0.01 -0.37 0.18 0.00 0.82 0.00 0.00 66.70 67.32 1vre h VAL 44 Cb 1.22 0.06 -0.11 0.00 -1.52 0.00 0.00 31.29 30.94 1vre h VAL 44 CO 0.08 0.01 0.46 -0.26 0.02 0.00 0.00 177.57 177.88 1vre h PHE 45 N -1.21 0.79 0.00 1.57 0.04 -1.39 -3.41 116.94 113.34 1vre h PHE 45 Ca -0.09 0.04 0.00 0.00 2.80 0.00 0.00 57.97 60.72 1vre h PHE 45 Cb 0.66 -0.22 0.00 0.00 2.20 0.00 0.00 35.95 38.60 1vre h PHE 45 CO 0.00 0.13 0.00 0.41 -0.60 0.00 0.00 178.31 178.25 1vre n GLY 46 N -1.33 1.42 3.48 -1.45 0.00 -1.12 -5.07 105.19 101.13 1vre n GLY 46 Ca 0.20 0.00 -0.23 0.00 0.00 0.00 0.00 46.02 45.99 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 2.12 -0.20 1.61 0.08 -0.47 -4.96 117.98 114.15 1vre s PHE 47 Ca 0.00 -0.72 0.15 0.00 0.12 0.00 0.00 56.93 56.49 1vre s PHE 47 Cb 0.00 -1.30 0.53 0.00 -0.57 0.00 0.00 43.02 41.67 1vre s PHE 47 CO 0.00 0.30 1.44 0.45 -0.10 0.00 0.00 175.22 177.30 1vre n SER 48 N -0.70 3.66 0.00 1.36 2.88 -1.26 -4.12 113.62 115.44 1vre n SER 48 Ca -0.05 -3.15 0.00 0.00 -1.33 0.00 0.00 58.87 54.35 1vre n SER 48 Cb 0.65 -0.56 0.00 0.00 -0.75 0.00 0.00 64.21 63.54 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 -0.63 1.02 0.11 0.46 0.00 -1.26 -4.87 105.19 100.01 1vre n GLY 49 Ca 0.24 -1.71 0.11 0.00 0.00 0.00 0.00 46.02 44.66 1vre n GLY 49 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1vre n ALA 50 N -1.17 1.59 -1.12 4.61 0.00 -1.26 -3.17 120.51 119.99 1vre n ALA 50 Ca 0.00 0.07 -0.19 0.00 0.00 0.00 0.00 53.44 53.32 1vre n ALA 50 Cb 0.00 -1.35 -0.03 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 -2.10 6.20 -4.19 0.00 3.41 -1.26 -4.86 113.62 110.83 1vre n SER 51 Ca 0.02 -2.99 -0.30 0.00 -0.26 0.00 0.00 58.87 55.35 1vre n SER 51 Cb 0.20 -1.19 -0.17 0.00 -0.26 0.00 0.00 64.21 62.79 1vre n SER 51 CO 0.00 0.00 0.00 -0.62 -0.16 0.00 0.00 175.04 174.26 1vre s ASP 52 N 0.66 2.70 0.51 4.04 2.15 -1.19 -4.97 116.67 120.57 1vre s ASP 52 Ca 0.45 -0.47 0.30 0.00 0.43 0.00 0.00 52.55 53.26 1vre s ASP 52 Cb 0.29 -1.01 1.28 0.00 -0.30 0.00 0.00 42.92 43.19 1vre s ASP 52 CO -0.09 0.16 1.96 1.55 -0.17 0.00 0.00 175.17 178.58 1vre h PRO 53 N 6.49 0.00 -0.18 4.34 0.13 -1.93 -2.71 132.00 138.14 1vre h PRO 53 Ca -0.27 0.00 0.05 0.00 -0.87 0.00 0.00 66.00 64.91 1vre h PRO 53 Cb 1.20 0.00 -0.01 0.00 0.13 0.00 0.00 31.00 32.32 1vre h PRO 53 CO 0.47 0.10 0.17 0.78 -0.23 0.00 0.00 178.00 179.29 1vre h GLY 54 N 1.75 0.00 0.84 1.56 0.00 -1.94 -2.05 103.07 103.23 1vre h GLY 54 Ca -0.00 0.00 0.01 0.00 0.00 0.00 0.00 47.33 47.33 1vre h GLY 54 CO 0.01 0.00 -0.11 -2.08 0.00 0.00 0.00 176.54 174.36 1vre h VAL 55 N 0.00 0.74 -0.05 4.60 2.07 -1.87 0.74 116.25 122.48 1vre h VAL 55 Ca 0.09 0.00 0.01 0.00 0.82 0.00 0.00 66.70 67.62 1vre h VAL 55 Cb 0.43 0.74 -0.00 0.00 -1.52 0.00 0.00 31.29 30.93 1vre h VAL 55 CO -0.00 0.00 0.10 0.00 0.02 0.00 0.00 177.57 177.69 1vre h ALA 56 N 0.64 1.37 0.00 1.67 0.00 -1.58 -0.56 119.26 120.80 1vre h ALA 56 Ca 0.01 -0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.92 1vre h ALA 56 Cb 0.24 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.04 1vre h ALA 56 CO -0.04 -0.12 -0.09 -0.44 0.00 0.00 0.00 179.25 178.55 1vre h ASP 57 N 0.00 0.00 0.53 0.00 5.19 -1.04 -2.88 116.42 118.22 1vre h ASP 57 Ca 0.02 0.00 -0.02 0.00 -0.62 0.00 0.00 57.03 56.42 1vre h ASP 57 Cb 0.22 0.00 -0.02 0.00 0.18 0.00 0.00 39.33 39.71 1vre h ASP 57 CO -0.00 0.53 -0.47 0.25 -3.12 0.00 0.00 179.24 176.44 1vre h LEU 58 N -0.97 -1.26 -0.13 1.55 6.46 -0.71 0.40 115.31 120.66 1vre h LEU 58 Ca 0.00 0.10 0.03 0.00 -0.12 0.00 0.00 57.88 57.88 1vre h LEU 58 Cb 0.09 0.41 -0.06 0.00 -0.73 0.00 0.00 40.66 40.37 1vre h LEU 58 CO 0.00 -0.65 -0.51 1.23 -0.62 0.00 0.00 178.44 177.90 1vre h GLY 59 N -0.98 -1.13 -0.28 3.75 0.00 -1.30 0.42 103.07 103.55 1vre h GLY 59 Ca -0.06 0.68 0.31 0.00 0.00 0.00 0.00 47.33 48.26 1vre h GLY 59 CO -0.03 -0.22 0.75 0.00 0.00 0.00 0.00 176.54 177.03 1vre h ALA 60 N -0.38 2.60 0.00 3.60 0.00 -1.34 1.66 119.26 125.40 1vre h ALA 60 Ca 0.03 0.03 -0.00 0.00 0.00 0.00 0.00 54.91 54.96 1vre h ALA 60 Cb 0.63 0.06 -0.00 0.00 0.00 0.00 0.00 17.79 18.48 1vre h ALA 60 CO -0.41 -0.99 -0.02 0.87 0.00 0.00 0.00 179.25 178.70 1vre h LYS 61 N 0.22 0.00 0.00 0.00 1.57 0.19 -3.15 116.57 115.41 1vre h LYS 61 Ca 0.60 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 59.38 1vre h LYS 61 Cb 1.85 0.00 0.00 0.00 0.08 0.00 0.00 32.23 34.16 1vre h LYS 61 CO -0.20 0.02 -0.05 0.28 -0.57 0.00 0.00 179.45 178.93 1vre h VAL 62 N 0.00 0.00 -0.91 0.50 2.07 0.57 -3.32 116.25 115.17 1vre h VAL 62 Ca -0.00 -0.88 0.25 0.00 0.82 0.00 0.00 66.70 66.88 1vre h VAL 62 Cb 0.91 0.00 -0.14 0.00 -1.52 0.00 0.00 31.29 30.54 1vre h VAL 62 CO 0.00 0.00 0.35 0.17 0.02 0.00 0.00 177.57 178.11 1vre h LEU 63 N -0.88 0.20 -0.99 2.57 8.10 -1.41 0.60 115.31 123.49 1vre h LEU 63 Ca 0.00 0.18 0.23 0.00 0.11 0.00 0.00 57.88 58.40 1vre h LEU 63 Cb 0.05 0.20 -0.12 0.00 -0.44 0.00 0.00 40.66 40.36 1vre h LEU 63 CO 0.00 -0.11 0.58 0.00 -4.11 0.00 0.00 178.44 174.81 1vre h ALA 64 N 1.77 1.73 -0.42 0.17 0.00 -1.67 0.30 119.26 121.13 1vre h ALA 64 Ca 0.59 0.12 -0.06 0.00 0.00 0.00 0.00 54.91 55.55 1vre h ALA 64 Cb 1.21 -0.00 -0.02 0.00 0.00 0.00 0.00 17.79 18.98 1vre h ALA 64 CO -0.61 -0.21 0.03 1.96 0.00 0.00 0.00 179.25 180.42 1vre h GLN 65 N 0.62 0.73 -1.00 0.00 1.08 0.12 -1.87 115.11 114.79 1vre h GLN 65 Ca 0.62 -0.22 0.01 0.00 -1.45 0.00 0.00 58.65 57.61 1vre h GLN 65 Cb 1.12 -0.07 -0.05 0.00 -0.05 0.00 0.00 27.48 28.43 1vre h GLN 65 CO -0.45 0.79 0.66 0.82 -0.95 0.00 0.00 178.83 179.70 1vre h ILE 66 N 0.57 1.25 0.07 2.54 2.04 -0.26 0.62 117.51 124.35 1vre h ILE 66 Ca 0.12 -0.46 -0.00 0.00 1.00 0.00 0.00 64.86 65.52 1vre h ILE 66 Cb 0.44 -0.21 0.00 0.00 -0.74 0.00 0.00 36.82 36.31 1vre h ILE 66 CO 0.02 0.25 -0.03 1.23 0.00 0.00 0.00 178.15 179.61 1vre h GLY 67 N 1.35 -0.10 1.95 5.37 0.00 -0.65 0.71 103.07 111.69 1vre h GLY 67 Ca 0.37 0.04 -0.01 0.00 0.00 0.00 0.00 47.33 47.72 1vre h GLY 67 CO -0.08 -0.04 -0.01 -2.08 0.00 0.00 0.00 176.54 174.33 1vre h VAL 68 N -0.20 1.04 0.00 4.60 2.07 -0.89 -1.05 116.25 121.83 1vre h VAL 68 Ca -0.01 -0.17 -0.11 0.00 0.82 0.00 0.00 66.70 67.22 1vre h VAL 68 Cb 0.17 1.02 -0.02 0.00 -1.52 0.00 0.00 31.29 30.94 1vre h VAL 68 CO 0.02 0.06 -0.73 0.00 0.02 0.00 0.00 177.57 176.93 1vre h ALA 69 N 1.92 0.67 0.00 1.67 0.00 -0.16 -3.19 119.26 120.17 1vre h ALA 69 Ca 0.02 -0.52 0.00 0.00 0.00 0.00 0.00 54.91 54.40 1vre h ALA 69 Cb 0.07 0.01 0.00 0.00 0.00 0.00 0.00 17.79 17.87 1vre h ALA 69 CO 0.00 0.66 0.00 0.28 0.00 0.00 0.00 179.25 180.19 1vre n VAL 70 N -3.12 0.92 -0.33 0.00 0.31 0.24 -2.74 118.33 113.61 1vre n VAL 70 Ca -0.01 0.23 -0.14 0.00 -0.01 0.00 0.00 64.34 64.41 1vre n VAL 70 Cb 0.75 -0.99 0.10 0.00 -0.91 0.00 0.00 33.84 32.79 1vre n VAL 70 CO 0.00 0.00 0.00 -1.54 -1.32 0.00 0.00 176.83 173.97 1vre n SER 71 N -1.45 3.72 0.00 4.52 3.41 -1.17 -4.64 113.62 118.01 1vre n SER 71 Ca 0.04 -2.94 0.00 0.00 -0.26 0.00 0.00 58.87 55.71 1vre n SER 71 Cb 0.16 -0.73 0.00 0.00 -0.26 0.00 0.00 64.21 63.38 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 -0.39 0.00 0.00 7.33 8.25 -1.11 -5.01 115.22 124.29 1vre n HIS 72 Ca 0.34 0.00 0.00 0.00 -0.26 0.00 0.00 57.72 57.80 1vre n HIS 72 Cb 1.12 0.00 0.00 0.00 1.12 0.00 0.00 29.99 32.23 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 -0.06 0.00 0.25 2.41 4.77 -1.23 -3.58 117.00 119.55 1vre n LEU 73 Ca 0.00 0.00 0.08 0.00 -0.03 0.00 0.00 56.01 56.06 1vre n LEU 73 Cb 0.00 0.00 0.60 0.00 -2.33 0.00 0.00 43.42 41.69 1vre n LEU 73 CO 0.00 0.00 0.99 1.23 -1.33 0.00 0.00 177.39 178.28 1vre h GLY 74 N 0.00 0.00 -7.58 -0.72 0.00 -1.93 -3.32 103.07 89.52 1vre h GLY 74 Ca 0.00 0.00 -0.72 0.00 0.00 0.00 0.00 47.33 46.61 1vre h GLY 74 CO 0.00 0.00 0.71 -0.35 0.00 0.00 0.00 176.54 176.90 1vre s ASP 75 N -6.90 6.75 -0.35 0.19 -1.08 -1.23 -4.87 116.67 109.17 1vre s ASP 75 Ca -0.04 -2.38 -0.02 0.00 -0.52 0.00 0.00 52.55 49.58 1vre s ASP 75 Cb 0.16 -2.35 0.13 0.00 -1.46 0.00 0.00 42.92 39.40 1vre s ASP 75 CO 0.67 -0.88 2.39 -1.84 0.52 0.00 0.00 175.17 176.03 1vre n GLU 76 N 5.67 2.03 0.00 4.34 0.28 -1.25 -3.91 120.64 127.80 1vre n GLU 76 Ca 0.23 -1.81 0.00 0.00 -0.16 0.00 0.00 57.16 55.42 1vre n GLU 76 Cb 0.47 -1.83 -0.00 0.00 1.43 0.00 0.00 31.44 31.52 1vre n GLU 76 CO 0.00 0.00 0.00 0.41 -0.16 0.00 0.00 177.13 177.38 1vre n GLY 77 N 0.68 0.37 0.99 -1.84 0.00 -1.26 -4.81 105.19 99.33 1vre n GLY 77 Ca 0.37 -0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.39 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 -0.75 0.00 -0.31 1.61 4.81 -1.25 -4.74 118.16 117.52 1vre n LYS 78 Ca 0.00 0.00 0.26 0.00 -0.87 0.00 0.00 58.31 57.70 1vre n LYS 78 Cb 0.00 -0.21 0.59 0.00 0.02 0.00 0.00 35.03 35.43 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 0.26 0.00 1.64 4.05 -1.90 1.19 114.93 120.17 1vre h MET 79 Ca 0.00 -0.02 0.00 0.00 -0.28 0.00 0.00 59.70 59.40 1vre h MET 79 Cb 0.00 -0.06 0.00 0.00 -0.80 0.00 0.00 31.60 30.74 1vre h MET 79 CO 0.00 0.17 -0.03 0.28 0.23 0.00 0.00 176.91 177.56 1vre h VAL 80 N 0.26 0.00 -0.81 -5.77 2.07 -1.87 -2.71 116.25 107.43 1vre h VAL 80 Ca 0.58 -0.96 -0.03 0.00 0.82 0.00 0.00 66.70 67.11 1vre h VAL 80 Cb 1.72 1.94 -0.04 0.00 -1.52 0.00 0.00 31.29 33.40 1vre h VAL 80 CO -0.21 0.00 0.39 0.00 0.02 0.00 0.00 177.57 177.77 1vre h ALA 81 N 2.04 1.04 0.07 1.67 0.00 0.12 0.22 119.26 124.42 1vre h ALA 81 Ca 0.00 -0.16 -0.25 0.00 0.00 0.00 0.00 54.91 54.50 1vre h ALA 81 Cb 0.98 -0.32 -0.01 0.00 0.00 0.00 0.00 17.79 18.44 1vre h ALA 81 CO 0.00 0.61 -1.31 1.49 0.00 0.00 0.00 179.25 180.04 1vre h GLU 82 N 1.14 0.16 0.66 0.00 4.57 -1.58 -3.20 114.58 116.34 1vre h GLU 82 Ca 0.28 -0.27 -0.03 0.00 -1.18 0.00 0.00 59.36 58.16 1vre h GLU 82 Cb 0.12 0.10 0.00 0.00 -0.16 0.00 0.00 28.75 28.81 1vre h GLU 82 CO -0.03 1.13 -0.34 0.52 -1.18 0.00 0.00 179.01 179.10 1vre h MET 83 N -0.52 -0.89 -0.53 1.92 2.86 -1.48 -0.85 114.93 115.44 1vre h MET 83 Ca -0.30 0.06 0.15 0.00 -2.06 0.00 0.00 59.70 57.55 1vre h MET 83 Cb 1.60 0.20 -0.02 0.00 0.06 0.00 0.00 31.60 33.44 1vre h MET 83 CO -0.02 -0.59 0.50 -0.22 1.06 0.00 0.00 176.91 177.63 1vre h LYS 84 N -0.92 0.00 -0.18 1.72 3.11 -0.44 0.44 116.57 120.29 1vre h LYS 84 Ca -0.09 0.00 -0.16 0.00 -2.81 0.00 0.00 60.65 57.60 1vre h LYS 84 Cb 0.72 0.00 -0.01 0.00 -1.00 0.00 0.00 32.23 31.94 1vre h LYS 84 CO 0.13 0.00 -0.53 0.00 -2.81 0.00 0.00 179.45 176.24 1vre h ALA 85 N 1.51 0.73 -0.90 5.00 0.00 -1.18 -2.78 119.26 121.64 1vre h ALA 85 Ca 0.25 -0.50 0.04 0.00 0.00 0.00 0.00 54.91 54.69 1vre h ALA 85 Cb 1.24 -0.09 -0.05 0.00 0.00 0.00 0.00 17.79 18.90 1vre h ALA 85 CO -0.00 0.68 0.59 0.28 0.00 0.00 0.00 179.25 180.80 1vre h VAL 86 N 0.41 1.15 -0.39 0.00 2.07 0.68 -1.64 116.25 118.53 1vre h VAL 86 Ca 0.01 -0.39 0.05 0.00 0.82 0.00 0.00 66.70 67.20 1vre h VAL 86 Cb 1.07 -0.07 -0.05 0.00 -1.52 0.00 0.00 31.29 30.72 1vre h VAL 86 CO 0.10 0.21 0.10 1.23 0.02 0.00 0.00 177.57 179.23 1vre h GLY 87 N 1.12 0.48 0.72 2.17 0.00 -1.43 0.13 103.07 106.25 1vre h GLY 87 Ca 0.36 -0.05 0.12 0.00 0.00 0.00 0.00 47.33 47.76 1vre h GLY 87 CO -0.11 -0.01 0.53 -2.08 0.00 0.00 0.00 176.54 174.87 1vre h VAL 88 N 0.24 0.88 0.13 4.60 2.07 -0.04 0.12 116.25 124.26 1vre h VAL 88 Ca 0.18 -0.22 -0.01 0.00 0.82 0.00 0.00 66.70 67.48 1vre h VAL 88 Cb 0.19 0.19 0.00 0.00 -1.52 0.00 0.00 31.29 30.15 1vre h VAL 88 CO -0.22 0.12 -0.06 0.03 0.02 0.00 0.00 177.57 177.46 1vre h ARG 89 N 0.63 -0.17 -0.34 1.57 -0.00 -0.51 -2.86 114.38 112.71 1vre h ARG 89 Ca 0.39 0.01 0.10 0.00 -0.50 0.00 0.00 59.98 59.98 1vre h ARG 89 Cb 0.62 0.04 -0.01 0.00 0.00 0.00 0.00 29.97 30.62 1vre h ARG 89 CO -0.15 0.23 0.26 0.45 0.00 0.00 0.00 179.97 180.76 1vre h HIS 90 N -0.63 0.00 0.00 3.04 3.86 -0.01 0.31 115.15 121.72 1vre h HIS 90 Ca -0.02 0.00 0.00 0.00 -1.16 0.00 0.00 60.37 59.19 1vre h HIS 90 Cb 0.48 0.00 0.00 0.00 1.06 0.00 0.00 27.41 28.95 1vre h HIS 90 CO 0.06 0.00 0.00 1.17 0.86 0.00 0.00 177.93 180.02 1vre n LYS 91 N -4.32 0.11 -2.56 2.45 4.81 0.35 -2.79 118.16 116.22 1vre n LYS 91 Ca 0.05 0.45 -0.15 0.00 -0.87 0.00 0.00 58.31 57.79 1vre n LYS 91 Cb 0.43 -1.76 0.02 0.00 0.02 0.00 0.00 35.03 33.74 1vre n LYS 91 CO 0.00 0.00 0.00 0.41 1.17 0.00 0.00 177.40 178.98 1vre n GLY 92 N -0.52 3.55 0.00 3.14 0.00 0.11 -4.81 105.19 106.67 1vre n GLY 92 Ca 0.01 -1.90 0.00 0.00 0.00 0.00 0.00 46.02 44.14 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 -0.34 -3.19 0.01 1.61 4.02 -1.12 -4.98 117.16 113.18 1vre n TYR 93 Ca 0.22 0.00 -0.11 0.00 -0.01 0.00 0.00 57.90 58.00 1vre n TYR 93 Cb 0.78 0.00 -0.09 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 -0.12 1.84 2.72 0.00 -1.91 -3.22 103.07 102.38 1vre h GLY 94 Ca 0.00 0.04 -0.02 0.00 0.00 0.00 0.00 47.33 47.36 1vre h GLY 94 CO 0.00 -0.04 0.02 3.45 0.00 0.00 0.00 176.54 179.97 1vre h ASN 95 N -0.82 0.19 -3.76 0.19 -1.07 -1.88 -3.46 115.58 104.96 1vre h ASN 95 Ca -0.01 -0.02 -0.41 0.00 0.07 0.00 0.00 56.30 55.94 1vre h ASN 95 Cb 0.60 -0.05 0.03 0.00 -2.07 0.00 0.00 38.32 36.83 1vre h ASN 95 CO 0.02 0.21 -0.57 1.17 0.07 0.00 0.00 177.43 178.33 1vre n LYS 96 N -4.43 -3.47 0.00 4.14 4.81 -1.22 -4.86 118.16 113.13 1vre n LYS 96 Ca -0.01 0.94 0.00 0.00 -0.87 0.00 0.00 58.31 58.38 1vre n LYS 96 Cb 0.14 -5.70 0.00 0.00 0.02 0.00 0.00 35.03 29.50 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 -4.30 0.00 -1.59 5.64 8.25 -1.26 -5.00 115.22 116.96 1vre n HIS 97 Ca -0.17 0.00 0.03 0.00 -0.26 0.00 0.00 57.72 57.32 1vre n HIS 97 Cb 0.65 0.00 -0.02 0.00 1.12 0.00 0.00 29.99 31.74 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 -0.47 -2.60 -3.73 1.59 5.41 -1.26 -4.94 119.36 113.35 1vre n ILE 98 Ca 0.00 1.40 -0.12 0.00 1.00 0.00 0.00 62.75 65.02 1vre n ILE 98 Cb 0.00 -2.30 -0.13 0.00 -0.71 0.00 0.00 39.64 36.51 1vre n ILE 98 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 176.55 176.01 1vre s LYS 99 N -5.25 0.24 0.14 0.38 3.01 -1.26 -5.01 119.74 111.99 1vre s LYS 99 Ca 0.00 0.53 0.20 0.00 -1.01 0.00 0.00 55.97 55.69 1vre s LYS 99 Cb 0.00 -0.07 0.84 0.00 -1.01 0.00 0.00 37.83 37.59 1vre s LYS 99 CO 0.00 -0.14 1.63 0.00 0.51 0.00 0.00 175.35 177.34 1vre n ALA 100 N 4.02 1.73 0.27 5.17 0.00 -1.26 -2.14 120.51 128.30 1vre n ALA 100 Ca -0.23 0.01 0.16 0.00 0.00 0.00 0.00 53.44 53.38 1vre n ALA 100 Cb 0.54 -1.33 0.53 0.00 0.00 0.00 0.00 19.45 19.18 1vre n ALA 100 CO 0.00 0.00 0.00 0.93 0.00 0.00 0.00 177.50 178.43 1vre h GLU 101 N 0.00 0.00 0.00 0.00 4.39 -2.02 -2.87 114.58 114.07 1vre h GLU 101 Ca 0.00 0.00 -0.07 0.00 0.34 0.00 0.00 59.36 59.63 1vre h GLU 101 Cb 0.35 0.00 -0.01 0.00 -0.10 0.00 0.00 28.75 28.99 1vre h GLU 101 CO 0.00 0.00 -1.03 1.88 -1.16 0.00 0.00 179.01 178.70 1vre h TYR 102 N 0.00 0.00 0.37 4.33 -1.99 -1.86 -3.36 116.97 114.46 1vre h TYR 102 Ca 0.00 0.00 -0.00 0.00 2.00 0.00 0.00 58.73 60.73 1vre h TYR 102 Cb 0.65 0.00 -0.03 0.00 2.00 0.00 0.00 36.73 39.35 1vre h TYR 102 CO 0.00 0.24 -0.47 0.74 -0.00 0.00 0.00 178.16 178.67 1vre h PHE 103 N 0.00 -1.31 0.30 4.88 -1.00 -1.58 0.27 116.94 118.50 1vre h PHE 103 Ca -0.06 0.02 0.00 0.00 2.81 0.00 0.00 57.97 60.74 1vre h PHE 103 Cb 1.24 0.52 -0.03 0.00 3.61 0.00 0.00 35.95 41.28 1vre h PHE 103 CO 0.00 -0.61 -0.43 0.93 -1.61 0.00 0.00 178.31 176.59 1vre h GLU 104 N -0.88 -0.76 -0.08 1.51 5.08 -1.74 0.11 114.58 117.83 1vre h GLU 104 Ca -0.04 0.05 0.03 0.00 -1.00 0.00 0.00 59.36 58.40 1vre h GLU 104 Cb 0.80 0.17 -0.06 0.00 0.50 0.00 0.00 28.75 30.16 1vre h GLU 104 CO -0.12 -0.50 -0.54 -1.35 -1.00 0.00 0.00 179.01 175.50 1vre h PRO 105 N -0.78 -0.60 -0.46 2.33 0.11 -1.67 0.56 132.00 131.49 1vre h PRO 105 Ca -0.02 0.04 0.13 0.00 0.11 0.00 0.00 66.00 66.27 1vre h PRO 105 Cb 0.74 0.14 -0.02 0.00 0.11 0.00 0.00 31.00 31.96 1vre h PRO 105 CO -0.14 -0.40 0.41 1.25 -0.21 0.00 0.00 178.00 178.92 1vre h LEU 106 N -0.62 0.00 0.06 2.35 7.12 -0.25 -0.37 115.31 123.59 1vre h LEU 106 Ca 0.03 0.00 -0.12 0.00 0.13 0.00 0.00 57.88 57.91 1vre h LEU 106 Cb 0.70 0.00 0.01 0.00 -0.53 0.00 0.00 40.66 40.84 1vre h LEU 106 CO -0.41 0.00 -0.52 1.23 -0.13 0.00 0.00 178.44 178.62 1vre h GLY 107 N 0.00 0.29 0.97 3.75 0.00 0.24 -2.77 103.07 105.56 1vre h GLY 107 Ca 0.22 -0.61 -0.01 0.00 0.00 0.00 0.00 47.33 46.93 1vre h GLY 107 CO -0.00 0.53 -0.14 0.00 0.00 0.00 0.00 176.54 176.94 1vre h ALA 108 N 0.17 -0.38 -0.18 3.60 0.00 0.14 -1.74 119.26 120.87 1vre h ALA 108 Ca -0.08 -0.09 0.05 0.00 0.00 0.00 0.00 54.91 54.79 1vre h ALA 108 Cb 1.33 0.15 -0.01 0.00 0.00 0.00 0.00 17.79 19.26 1vre h ALA 108 CO 0.10 -0.70 0.16 0.77 0.00 0.00 0.00 179.25 179.58 1vre h SER 109 N -0.41 0.00 -0.38 0.00 0.02 -1.29 -1.29 113.55 110.21 1vre h SER 109 Ca -0.04 0.00 -0.08 0.00 -0.84 0.00 0.00 61.79 60.83 1vre h SER 109 Cb 0.31 0.00 -0.01 0.00 0.14 0.00 0.00 62.40 62.84 1vre h SER 109 CO 0.06 0.00 -0.09 0.25 -1.14 0.00 0.00 176.83 175.92 1vre h LEU 110 N 0.00 0.73 -1.58 5.07 6.46 -1.02 -2.72 115.31 122.24 1vre h LEU 110 Ca 0.09 -0.36 0.09 0.00 -0.12 0.00 0.00 57.88 57.58 1vre h LEU 110 Cb 0.40 -0.20 -0.04 0.00 -0.73 0.00 0.00 40.66 40.09 1vre h LEU 110 CO -0.00 0.92 0.42 -0.07 -0.62 0.00 0.00 178.44 179.09 1vre h LEU 111 N 0.52 0.43 -1.22 2.25 3.38 -0.77 0.61 115.31 120.52 1vre h LEU 111 Ca 0.10 0.01 -0.05 0.00 0.09 0.00 0.00 57.88 58.02 1vre h LEU 111 Cb 0.60 -0.08 -0.02 0.00 0.09 0.00 0.00 40.66 41.25 1vre h LEU 111 CO 0.04 0.26 -0.01 -1.28 0.09 0.00 0.00 178.44 177.53 1vre h SER 112 N 0.48 0.49 1.07 -0.43 0.87 -1.41 -2.54 113.55 112.07 1vre h SER 112 Ca 0.29 -0.09 -0.19 0.00 -1.23 0.00 0.00 61.79 60.57 1vre h SER 112 Cb 0.49 -0.13 -0.03 0.00 -0.44 0.00 0.00 62.40 62.30 1vre h SER 112 CO -0.09 0.57 -0.96 0.00 -0.53 0.00 0.00 176.83 175.82 1vre h ALA 113 N 1.49 0.49 -0.94 6.23 0.00 -0.89 -3.29 119.26 122.36 1vre h ALA 113 Ca 0.11 -0.84 0.21 0.00 0.00 0.00 0.00 54.91 54.39 1vre h ALA 113 Cb 0.35 -0.05 -0.07 0.00 0.00 0.00 0.00 17.79 18.01 1vre h ALA 113 CO 0.01 1.10 0.61 0.52 0.00 0.00 0.00 179.25 181.50 1vre h MET 114 N 0.00 0.42 0.00 0.00 2.07 -0.70 0.61 114.93 117.33 1vre h MET 114 Ca -0.04 -0.03 0.00 0.00 -2.07 0.00 0.00 59.70 57.56 1vre h MET 114 Cb 1.68 -0.09 0.00 0.00 -1.87 0.00 0.00 31.60 31.32 1vre h MET 114 CO 0.10 0.28 0.00 -0.85 1.07 0.00 0.00 176.91 177.51 1vre n GLU 115 N -4.54 0.08 0.22 1.72 0.28 -1.23 -1.88 120.64 115.28 1vre n GLU 115 Ca 0.21 0.45 0.07 0.00 -0.16 0.00 0.00 57.16 57.73 1vre n GLU 115 Cb 0.72 -1.70 0.49 0.00 1.43 0.00 0.00 31.44 32.38 1vre n GLU 115 CO 0.00 0.00 0.00 0.45 -0.16 0.00 0.00 177.13 177.42 1vre h HIS 116 N 0.00 0.00 0.00 -1.84 3.86 0.02 0.36 115.15 117.55 1vre h HIS 116 Ca 0.00 0.00 0.00 0.00 -1.16 0.00 0.00 60.37 59.21 1vre h HIS 116 Cb 0.15 0.00 0.00 0.00 1.06 0.00 0.00 27.41 28.62 1vre h HIS 116 CO 0.00 0.27 -0.39 -2.13 0.86 0.00 0.00 177.93 176.54 1vre n ARG 117 N -3.80 0.27 0.06 2.45 0.00 -0.79 -4.67 116.66 110.18 1vre n ARG 117 Ca -0.01 0.29 -0.15 0.00 -0.00 0.00 0.00 57.85 57.97 1vre n ARG 117 Cb 0.36 -1.17 -0.14 0.00 0.00 0.00 0.00 32.46 31.52 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 -0.56 1.18 0.00 5.15 3.07 -1.67 -3.46 117.51 121.22 1vre h ILE 118 Ca 0.00 -2.84 0.00 0.00 1.55 0.00 0.00 64.86 63.57 1vre h ILE 118 Cb 0.39 2.74 0.00 0.00 -0.27 0.00 0.00 36.82 39.69 1vre h ILE 118 CO 0.00 0.81 0.00 0.61 -1.05 0.00 0.00 178.15 178.52 1vre n GLY 119 N 1.63 0.53 0.30 0.16 0.00 0.13 -1.44 105.19 106.51 1vre n GLY 119 Ca -0.15 0.46 0.06 0.00 0.00 0.00 0.00 46.02 46.39 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 0.85 2.00 -0.02 0.00 -1.90 1.45 103.07 105.45 1vre h GLY 120 Ca 0.00 0.18 -0.02 0.00 0.00 0.00 0.00 47.33 47.49 1vre h GLY 120 CO 0.00 -0.35 -0.10 0.50 0.00 0.00 0.00 176.54 176.60 1vre h LYS 121 N 0.05 0.00 -5.94 4.80 1.57 -1.63 -3.39 116.57 112.03 1vre h LYS 121 Ca 0.45 0.00 -0.45 0.00 -1.87 0.00 0.00 60.65 58.78 1vre h LYS 121 Cb 0.79 0.00 -0.05 0.00 0.08 0.00 0.00 32.23 33.06 1vre h LYS 121 CO -0.79 0.10 1.15 1.41 -0.57 0.00 0.00 179.45 180.75 1vre s MET 122 N -3.91 2.69 0.00 3.15 1.75 0.50 -4.89 119.30 118.59 1vre s MET 122 Ca -0.01 0.19 0.00 0.00 -1.25 0.00 0.00 55.69 54.62 1vre s MET 122 Cb 0.11 -4.62 0.00 0.00 2.84 0.00 0.00 34.83 33.16 1vre s MET 122 CO 0.56 -2.86 0.00 0.27 -0.65 0.00 0.00 175.02 172.35 1vre n ASN 123 N 12.67 0.04 -0.03 1.11 0.23 -1.26 -4.89 115.26 123.12 1vre n ASN 123 Ca 0.25 -0.15 -0.15 0.00 -0.53 0.00 0.00 54.58 54.00 1vre n ASN 123 Cb 0.50 0.00 -0.09 0.00 -2.08 0.00 0.00 39.78 38.11 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 -0.74 0.15 -0.04 -2.53 0.00 -1.98 -2.34 119.26 111.79 1vre h ALA 124 Ca 0.00 -0.43 -0.03 0.00 0.00 0.00 0.00 54.91 54.45 1vre h ALA 124 Cb 0.00 -0.01 -0.01 0.00 0.00 0.00 0.00 17.79 17.77 1vre h ALA 124 CO 0.00 0.20 -0.10 0.00 0.00 0.00 0.00 179.25 179.35 1vre h ALA 125 N 0.46 1.77 0.01 0.00 0.00 -1.96 0.59 119.26 120.13 1vre h ALA 125 Ca -0.02 -0.11 -0.00 0.00 0.00 0.00 0.00 54.91 54.78 1vre h ALA 125 Cb 0.95 -0.03 0.00 0.00 0.00 0.00 0.00 17.79 18.71 1vre h ALA 125 CO 0.07 0.18 -0.01 0.00 0.00 0.00 0.00 179.25 179.49 1vre h ALA 126 N 1.85 -0.02 0.00 0.00 0.00 -1.87 0.79 119.26 120.01 1vre h ALA 126 Ca 0.01 -0.23 -0.10 0.00 0.00 0.00 0.00 54.91 54.59 1vre h ALA 126 Cb 0.21 0.01 -0.01 0.00 0.00 0.00 0.00 17.79 18.00 1vre h ALA 126 CO 0.01 -0.27 -0.46 1.57 0.00 0.00 0.00 179.25 180.10 1vre h LYS 127 N -0.49 0.00 0.22 0.00 2.10 -1.04 -1.75 116.57 115.61 1vre h LYS 127 Ca -0.00 0.00 -0.30 0.00 -2.00 0.00 0.00 60.65 58.35 1vre h LYS 127 Cb 0.48 0.00 0.03 0.00 -0.90 0.00 0.00 32.23 31.84 1vre h LYS 127 CO 0.00 0.46 -1.32 0.22 -2.00 0.00 0.00 179.45 176.81 1vre h ASP 128 N 0.00 0.73 -0.33 7.07 3.58 0.26 -1.00 116.42 126.73 1vre h ASP 128 Ca -0.00 -0.93 -0.03 0.00 0.42 0.00 0.00 57.03 56.49 1vre h ASP 128 Cb 0.96 -0.24 -0.01 0.00 1.72 0.00 0.00 39.33 41.75 1vre h ASP 128 CO 0.06 1.63 0.11 0.00 -2.88 0.00 0.00 179.24 178.16 1vre h ALA 129 N 0.12 0.43 0.00 -0.78 0.00 0.66 -2.09 119.26 117.61 1vre h ALA 129 Ca -0.23 -0.15 -0.08 0.00 0.00 0.00 0.00 54.91 54.45 1vre h ALA 129 Cb 2.02 -0.13 -0.01 0.00 0.00 0.00 0.00 17.79 19.67 1vre h ALA 129 CO 0.24 0.06 -0.37 -1.49 0.00 0.00 0.00 179.25 177.68 1vre h TRP 130 N 0.37 0.00 -0.27 0.00 4.06 -1.42 -1.58 115.95 117.11 1vre h TRP 130 Ca 0.11 0.00 -0.07 0.00 2.06 0.00 0.00 58.89 60.99 1vre h TRP 130 Cb 0.24 0.00 -0.02 0.00 -1.00 0.00 0.00 29.16 28.38 1vre h TRP 130 CO 0.01 0.37 -0.13 0.00 -3.56 0.00 0.00 178.44 175.13 1vre h ALA 131 N 1.63 1.28 0.00 1.49 0.00 -0.64 0.43 119.26 123.45 1vre h ALA 131 Ca -0.00 -0.26 -0.02 0.00 0.00 0.00 0.00 54.91 54.62 1vre h ALA 131 Cb 0.94 -0.13 -0.00 0.00 0.00 0.00 0.00 17.79 18.60 1vre h ALA 131 CO 0.05 0.48 -0.90 0.00 0.00 0.00 0.00 179.25 178.87 1vre h ALA 132 N 1.45 0.59 0.01 0.00 0.00 -1.14 -3.31 119.26 116.86 1vre h ALA 132 Ca 0.08 -0.10 -0.00 0.00 0.00 0.00 0.00 54.91 54.88 1vre h ALA 132 Cb 0.48 0.03 0.00 0.00 0.00 0.00 0.00 17.79 18.30 1vre h ALA 132 CO 0.03 0.12 -0.01 0.00 0.00 0.00 0.00 179.25 179.39 1vre h ALA 133 N 1.92 -0.01 -0.59 0.00 0.00 -0.76 -3.00 119.26 116.82 1vre h ALA 133 Ca -0.02 -0.32 0.17 0.00 0.00 0.00 0.00 54.91 54.74 1vre h ALA 133 Cb 1.07 0.01 -0.02 0.00 0.00 0.00 0.00 17.79 18.85 1vre h ALA 133 CO 0.01 -0.02 0.48 1.88 0.00 0.00 0.00 179.25 181.59 1vre h TYR 134 N -0.98 0.00 -0.05 0.00 0.05 -1.10 0.87 116.97 115.77 1vre h TYR 134 Ca -0.00 0.00 -0.03 0.00 0.05 0.00 0.00 58.73 58.75 1vre h TYR 134 Cb 0.65 0.00 -0.00 0.00 1.01 0.00 0.00 36.73 38.39 1vre h TYR 134 CO 0.18 0.00 -0.07 0.00 -1.05 0.00 0.00 178.16 177.22 1vre h ALA 135 N 1.59 0.07 -0.08 3.88 0.00 -1.64 0.10 119.26 123.18 1vre h ALA 135 Ca 0.28 -0.30 -0.17 0.00 0.00 0.00 0.00 54.91 54.71 1vre h ALA 135 Cb 1.24 -0.01 -0.01 0.00 0.00 0.00 0.00 17.79 19.01 1vre h ALA 135 CO -0.00 -0.10 -0.68 -0.44 0.00 0.00 0.00 179.25 178.03 1vre h ASP 136 N -0.37 0.42 0.63 0.00 3.32 -0.84 0.24 116.42 119.82 1vre h ASP 136 Ca 0.00 -0.26 -0.03 0.00 0.02 0.00 0.00 57.03 56.76 1vre h ASP 136 Cb 0.63 -0.12 0.01 0.00 0.22 0.00 0.00 39.33 40.06 1vre h ASP 136 CO 0.02 0.97 -0.30 0.40 -1.72 0.00 0.00 179.24 178.61 1vre h ILE 137 N 0.25 0.09 0.00 0.35 2.04 0.67 -0.74 117.51 120.17 1vre h ILE 137 Ca -0.02 -0.37 -0.05 0.00 1.00 0.00 0.00 64.86 65.42 1vre h ILE 137 Cb 1.23 0.13 -0.01 0.00 -0.74 0.00 0.00 36.82 37.44 1vre h ILE 137 CO 0.11 0.02 -0.24 0.77 0.00 0.00 0.00 178.15 178.81 1vre h SER 138 N -1.18 0.00 -0.15 1.72 4.64 -1.04 -2.94 113.55 114.59 1vre h SER 138 Ca -0.09 0.00 -0.05 0.00 -0.47 0.00 0.00 61.79 61.18 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 0.24 -0.10 1.23 -0.87 0.00 0.00 176.83 177.47 1vre h GLY 139 N 1.34 0.37 1.24 -0.77 0.00 -0.44 -2.70 103.07 102.11 1vre h GLY 139 Ca -0.00 -0.35 0.09 0.00 0.00 0.00 0.00 47.33 47.07 1vre h GLY 139 CO 0.03 0.31 0.29 0.00 0.00 0.00 0.00 176.54 177.18 1vre h ALA 140 N 0.65 2.05 0.00 3.60 0.00 -0.95 0.47 119.26 125.09 1vre h ALA 140 Ca 0.03 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.93 1vre h ALA 140 Cb 0.59 0.02 0.00 0.00 0.00 0.00 0.00 17.79 18.41 1vre h ALA 140 CO 0.03 -0.45 0.00 1.25 0.00 0.00 0.00 179.25 180.08 1vre h LEU 141 N 0.00 0.00 0.00 0.00 6.46 -1.47 -2.98 115.31 117.32 1vre h LEU 141 Ca 0.15 0.00 0.00 0.00 -0.12 0.00 0.00 57.88 57.91 1vre h LEU 141 Cb 0.73 0.00 0.00 0.00 -0.73 0.00 0.00 40.66 40.66 1vre h LEU 141 CO -0.00 0.00 0.00 -0.38 -0.62 0.00 0.00 178.44 177.44 1vre n ILE 142 N -2.51 0.03 0.02 4.05 5.41 0.16 -2.70 119.36 123.82 1vre n ILE 142 Ca 0.04 0.01 -0.21 0.00 1.00 0.00 0.00 62.75 63.59 1vre n ILE 142 Cb 0.40 -0.59 -0.14 0.00 -0.71 0.00 0.00 39.64 38.60 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 0.41 1.20 4.38 0.02 -1.63 -3.34 113.55 114.59 1vre h SER 143 Ca 0.00 -0.88 0.00 0.00 -0.84 0.00 0.00 61.79 60.07 1vre h SER 143 Cb 0.03 -0.13 0.00 0.00 0.14 0.00 0.00 62.40 62.44 1vre h SER 143 CO 0.00 1.56 -0.46 1.23 -1.14 0.00 0.00 176.83 178.02 1vre h GLY 144 N -0.06 0.00 -0.41 -3.77 0.00 -1.50 -3.46 103.07 93.86 1vre h GLY 144 Ca -0.26 0.00 -0.17 0.00 0.00 0.00 0.00 47.33 46.90 1vre h GLY 144 CO 0.08 0.00 0.10 -0.10 0.00 0.00 0.00 176.54 176.62 1vre n LEU 145 N -2.40 0.00 -1.90 3.11 7.94 -1.10 -0.87 117.00 121.79 1vre n LEU 145 Ca 0.03 -0.67 -0.02 0.00 -1.11 0.00 0.00 56.01 54.24 1vre n LEU 145 Cb 0.47 -0.31 0.01 0.00 0.53 0.00 0.00 43.42 44.12 1vre n LEU 145 CO 0.35 -0.77 0.04 0.00 -1.11 0.00 0.00 177.39 175.90 1vre n GLN 146 N -1.87 -0.45 0.00 1.96 1.13 -1.26 -4.87 117.38 112.02 1vre n GLN 146 Ca 0.06 0.41 0.00 0.00 -1.94 0.00 0.00 57.00 55.53 1vre n GLN 146 Cb 0.22 -2.52 0.00 0.00 0.11 0.00 0.00 30.24 28.05 1vre n GLN 146 CO 0.00 0.00 0.00 -1.13 -1.44 0.00 0.00 177.06 174.49