#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 3.26 0.00 0.99 1.43 -1.26 -4.94 118.68 118.16 1vre s LEU 2 Ca 0.00 0.66 0.02 0.00 -1.03 0.00 0.00 54.13 53.78 1vre s LEU 2 Cb 0.00 -3.49 -0.01 0.00 0.03 0.00 0.00 46.19 42.72 1vre s LEU 2 CO 0.00 -1.05 0.10 -1.54 0.23 0.00 0.00 176.35 174.09 1vre n SER 3 N -2.55 -0.25 0.12 2.29 3.41 -1.26 -5.00 113.62 110.37 1vre n SER 3 Ca 0.04 -1.61 0.01 0.00 -0.26 0.00 0.00 58.87 57.06 1vre n SER 3 Cb 0.58 0.55 0.00 0.00 -0.26 0.00 0.00 64.21 65.08 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 1.39 0.64 0.00 7.33 0.00 -2.00 -2.64 119.26 123.98 1vre h ALA 4 Ca -0.07 -0.54 -0.10 0.00 0.00 0.00 0.00 54.91 54.20 1vre h ALA 4 Cb 0.35 -0.05 -0.02 0.00 0.00 0.00 0.00 17.79 18.07 1vre h ALA 4 CO 0.10 0.71 -1.14 0.00 0.00 0.00 0.00 179.25 178.92 1vre h ALA 5 N 1.45 0.62 0.00 0.00 0.00 -2.00 -3.32 119.26 116.00 1vre h ALA 5 Ca -0.02 -0.49 -0.03 0.00 0.00 0.00 0.00 54.91 54.36 1vre h ALA 5 Cb 1.44 0.14 -0.01 0.00 0.00 0.00 0.00 17.79 19.37 1vre h ALA 5 CO 0.07 0.55 -0.21 1.96 0.00 0.00 0.00 179.25 181.62 1vre h GLN 6 N 0.00 0.00 -1.04 0.00 4.20 -1.95 -3.12 115.11 113.20 1vre h GLN 6 Ca -0.09 0.00 0.29 0.00 0.06 0.00 0.00 58.65 58.92 1vre h GLN 6 Cb 1.35 0.00 -0.05 0.00 0.30 0.00 0.00 27.48 29.08 1vre h GLN 6 CO 0.03 0.79 0.73 0.07 -0.67 0.00 0.00 178.83 179.79 1vre h ARG 7 N -1.00 0.06 -0.17 1.46 -0.00 -1.65 0.33 114.38 113.42 1vre h ARG 7 Ca -0.05 -0.00 -0.14 0.00 -0.00 0.00 0.00 59.98 59.78 1vre h ARG 7 Cb 0.86 -0.01 0.00 0.00 -0.00 0.00 0.00 29.97 30.82 1vre h ARG 7 CO -0.03 0.04 -0.45 1.96 -0.00 0.00 0.00 179.97 181.49 1vre h GLN 8 N 0.06 0.61 -0.17 0.08 1.08 -1.66 -2.73 115.11 112.38 1vre h GLN 8 Ca 0.51 -0.43 -0.04 0.00 -1.45 0.00 0.00 58.65 57.24 1vre h GLN 8 Cb 1.90 0.07 -0.01 0.00 -0.05 0.00 0.00 27.48 29.38 1vre h GLN 8 CO -0.05 1.04 -0.06 0.28 -0.95 0.00 0.00 178.83 179.10 1vre h VAL 9 N 0.27 1.15 -0.25 -0.54 2.07 -0.34 -1.03 116.25 117.59 1vre h VAL 9 Ca -0.01 -0.62 -0.04 0.00 0.82 0.00 0.00 66.70 66.86 1vre h VAL 9 Cb 1.07 1.09 -0.01 0.00 -1.52 0.00 0.00 31.29 31.91 1vre h VAL 9 CO 0.10 0.20 0.00 0.58 0.02 0.00 0.00 177.57 178.47 1vre h VAL 10 N 0.25 1.25 0.00 2.57 2.07 -1.08 -1.29 116.25 120.03 1vre h VAL 10 Ca 0.06 -0.89 0.00 0.00 0.82 0.00 0.00 66.70 66.68 1vre h VAL 10 Cb 0.27 1.35 0.00 0.00 -1.52 0.00 0.00 31.29 31.39 1vre h VAL 10 CO 0.01 0.28 0.00 0.00 0.02 0.00 0.00 177.57 177.88 1vre n ALA 11 N -2.34 1.98 0.02 1.67 0.00 -0.97 -2.36 120.51 118.51 1vre n ALA 11 Ca -0.03 -0.06 0.03 0.00 0.00 0.00 0.00 53.44 53.37 1vre n ALA 11 Cb 0.24 -1.36 -0.09 0.00 0.00 0.00 0.00 19.45 18.24 1vre n ALA 11 CO 0.00 0.00 0.00 -1.13 0.00 0.00 0.00 177.50 176.37 1vre n SER 12 N -1.59 0.62 -0.09 0.00 3.41 -0.43 -3.90 113.62 111.65 1vre n SER 12 Ca 0.05 0.26 0.11 0.00 -0.26 0.00 0.00 58.87 59.03 1vre n SER 12 Cb 0.26 0.60 -0.01 0.00 -0.26 0.00 0.00 64.21 64.81 1vre n SER 12 CO 0.00 0.00 0.00 0.35 -0.16 0.00 0.00 175.04 175.23 1vre n THR 13 N -2.73 0.00 0.10 6.66 -2.24 -0.54 -4.11 114.28 111.42 1vre n THR 13 Ca -0.10 -0.04 0.11 0.00 -2.27 0.00 0.00 64.05 61.75 1vre n THR 13 Cb 0.78 0.86 -0.01 0.00 -2.10 0.00 0.00 70.33 69.86 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 -1.24 0.92 1.94 4.78 -0.00 -0.99 -3.21 117.44 119.64 1vre n TRP 14 Ca 0.05 0.27 0.11 0.00 -0.00 0.00 0.00 57.50 57.93 1vre n TRP 14 Cb 0.35 -0.94 0.63 0.00 -0.00 0.00 0.00 31.31 31.35 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 -2.66 1.06 0.03 5.87 5.02 -1.25 -2.73 118.16 123.49 1vre n LYS 15 Ca -0.01 -0.09 -0.01 0.00 -2.02 0.00 0.00 58.31 56.19 1vre n LYS 15 Cb 0.56 -1.35 -0.00 0.00 -0.02 0.00 0.00 35.03 34.22 1vre n LYS 15 CO 0.00 0.00 0.00 -3.47 -0.52 0.00 0.00 177.40 173.41 1vre n ASP 16 N -0.75 0.79 0.22 4.39 -0.08 -1.24 -4.29 116.55 115.59 1vre n ASP 16 Ca 0.16 0.10 0.06 0.00 -1.51 0.00 0.00 54.79 53.61 1vre n ASP 16 Cb 0.10 -0.25 0.54 0.00 2.34 0.00 0.00 41.12 43.85 1vre n ASP 16 CO 0.00 0.00 0.00 0.40 0.12 0.00 0.00 177.20 177.72 1vre h ILE 17 N -0.05 1.09 -0.70 5.18 2.04 -1.70 -1.88 117.51 121.49 1vre h ILE 17 Ca -0.01 -0.41 -0.40 0.00 1.00 0.00 0.00 64.86 65.04 1vre h ILE 17 Cb 0.40 1.19 -0.23 0.00 -0.74 0.00 0.00 36.82 37.43 1vre h ILE 17 CO -0.01 0.12 0.23 0.00 0.00 0.00 0.00 178.15 178.50 1vre n ALA 18 N -2.52 5.12 0.01 1.87 0.00 -1.11 -3.96 120.51 119.93 1vre n ALA 18 Ca -0.02 -3.18 -0.01 0.00 0.00 0.00 0.00 53.44 50.22 1vre n ALA 18 Cb 0.19 -1.09 -0.01 0.00 0.00 0.00 0.00 19.45 18.54 1vre n ALA 18 CO 0.00 0.00 0.00 0.78 0.00 0.00 0.00 177.50 178.28 1vre h GLY 19 N 1.26 -1.00 0.00 0.00 0.00 -1.52 -2.88 103.07 98.93 1vre h GLY 19 Ca 0.43 0.43 -0.18 0.00 0.00 0.00 0.00 47.33 48.01 1vre h GLY 19 CO 0.84 -0.37 -1.70 -1.14 0.00 0.00 0.00 176.54 174.17 1vre n SER 20 N -2.55 2.50 0.22 0.19 3.41 -1.26 -4.49 113.62 111.65 1vre n SER 20 Ca -0.01 0.00 0.12 0.00 -0.26 0.00 0.00 58.87 58.73 1vre n SER 20 Cb 0.03 0.75 0.23 0.00 -0.26 0.00 0.00 64.21 64.96 1vre n SER 20 CO 0.00 0.00 0.00 -2.24 -0.16 0.00 0.00 175.04 172.64 1vre h ASP 21 N 0.00 0.00 -2.90 4.04 2.03 -1.83 -3.47 116.42 114.29 1vre h ASP 21 Ca -0.27 0.00 -0.37 0.00 -0.73 0.00 0.00 57.03 55.65 1vre h ASP 21 Cb 1.62 0.00 -0.04 0.00 -0.83 0.00 0.00 39.33 40.08 1vre h ASP 21 CO 0.01 0.02 -0.45 -3.20 -1.03 0.00 0.00 179.24 174.59 1vre n ASN 22 N -3.11 -5.29 0.00 4.15 5.15 -1.09 -1.13 115.26 113.95 1vre n ASN 22 Ca 0.03 0.11 0.00 0.00 -0.60 0.00 0.00 54.58 54.12 1vre n ASN 22 Cb 0.51 -4.47 0.00 0.00 -0.53 0.00 0.00 39.78 35.29 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 -0.86 1.16 0.11 8.20 0.00 -1.25 -3.73 105.19 108.82 1vre n GLY 23 Ca -0.21 -0.32 -0.14 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 0.09 -0.26 4.61 0.00 -1.38 -3.09 119.26 119.24 1vre h ALA 24 Ca 0.00 -0.41 0.00 0.00 0.00 0.00 0.00 54.91 54.50 1vre h ALA 24 Cb 0.17 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 17.96 1vre h ALA 24 CO 0.00 0.08 0.00 0.41 0.00 0.00 0.00 179.25 179.74 1vre n GLY 25 N 0.68 1.76 0.03 0.00 0.00 -1.26 -3.53 105.19 102.88 1vre n GLY 25 Ca -0.08 -0.37 -0.01 0.00 0.00 0.00 0.00 46.02 45.55 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 0.29 0.42 -0.07 1.61 0.31 -1.17 -4.29 118.33 115.43 1vre n VAL 26 Ca 0.11 -0.37 -0.22 0.00 -0.01 0.00 0.00 64.34 63.85 1vre n VAL 26 Cb 0.56 -0.32 -0.12 0.00 -0.91 0.00 0.00 33.84 33.05 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 2.13 -0.53 0.26 2.92 0.00 -1.19 -2.87 105.19 105.91 1vre n GLY 27 Ca -0.11 -0.16 0.05 0.00 0.00 0.00 0.00 46.02 45.80 1vre n GLY 27 CO 0.00 0.00 0.00 0.07 0.00 0.00 0.00 173.32 173.39 1vre h LYS 28 N -0.29 0.19 0.00 1.61 2.10 -1.73 0.13 116.57 118.58 1vre h LYS 28 Ca -0.50 -0.03 0.00 0.00 -2.00 0.00 0.00 60.65 58.13 1vre h LYS 28 Cb 1.81 -0.03 0.00 0.00 -0.90 0.00 0.00 32.23 33.10 1vre h LYS 28 CO -0.09 0.23 -0.75 1.05 -2.00 0.00 0.00 179.45 177.89 1vre h GLU 29 N 0.18 0.00 0.00 0.07 4.11 -1.75 -3.30 114.58 113.90 1vre h GLU 29 Ca 0.04 0.00 0.00 0.00 0.07 0.00 0.00 59.36 59.47 1vre h GLU 29 Cb 0.18 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.43 1vre h GLU 29 CO 0.01 0.00 -0.35 0.00 0.07 0.00 0.00 179.01 178.74 1vre h PHE 31 N -0.69 0.39 -0.95 0.00 -1.00 -1.00 0.44 116.94 114.14 1vre h PHE 31 Ca 0.00 0.01 0.10 0.00 2.81 0.00 0.00 57.97 60.89 1vre h PHE 31 Cb 0.35 -0.11 -0.08 0.00 3.61 0.00 0.00 35.95 39.72 1vre h PHE 31 CO -0.15 0.00 0.59 1.15 -1.61 0.00 0.00 178.31 178.29 1vre h THR 32 N 0.20 0.95 -0.01 -1.55 2.02 -1.73 0.11 112.91 112.91 1vre h THR 32 Ca 0.62 -0.33 -0.01 0.00 0.77 0.00 0.00 66.41 67.45 1vre h THR 32 Cb 1.97 -0.11 0.00 0.00 -1.74 0.00 0.00 68.15 68.28 1vre h THR 32 CO -0.21 0.18 -0.05 0.11 0.37 0.00 0.00 175.52 175.93 1vre h LYS 33 N 0.97 0.05 -0.61 6.66 6.56 -0.28 -2.72 116.57 127.20 1vre h LYS 33 Ca 0.45 -0.04 0.11 0.00 -1.06 0.00 0.00 60.65 60.12 1vre h LYS 33 Cb 0.38 0.01 -0.08 0.00 -0.57 0.00 0.00 32.23 31.96 1vre h LYS 33 CO -0.24 0.71 0.15 0.35 -2.06 0.00 0.00 179.45 178.36 1vre h PHE 34 N -0.60 0.25 -0.36 -1.35 3.57 -1.03 0.43 116.94 117.85 1vre h PHE 34 Ca -0.00 0.04 0.03 0.00 3.53 0.00 0.00 57.97 61.56 1vre h PHE 34 Cb 0.71 -0.02 -0.03 0.00 2.79 0.00 0.00 35.95 39.41 1vre h PHE 34 CO 0.16 -0.01 0.17 -0.07 -2.23 0.00 0.00 178.31 176.33 1vre h LEU 35 N 0.29 0.25 0.44 0.59 3.38 -0.82 1.07 115.31 120.50 1vre h LEU 35 Ca 0.32 0.02 -0.02 0.00 0.09 0.00 0.00 57.88 58.29 1vre h LEU 35 Cb 0.47 -0.03 0.00 0.00 0.09 0.00 0.00 40.66 41.20 1vre h LEU 35 CO -0.39 0.18 -0.21 -1.28 0.09 0.00 0.00 178.44 176.83 1vre h SER 36 N 0.36 -0.50 0.12 -0.43 0.87 -0.81 -2.72 113.55 110.44 1vre h SER 36 Ca 0.15 -0.09 -0.01 0.00 -1.23 0.00 0.00 61.79 60.61 1vre h SER 36 Cb 0.07 0.13 -0.00 0.00 -0.44 0.00 0.00 62.40 62.16 1vre h SER 36 CO -0.11 -0.16 -0.03 0.00 -0.53 0.00 0.00 176.83 175.99 1vre h ALA 37 N -0.44 1.39 -3.55 6.23 0.00 -0.08 -3.36 119.26 119.47 1vre h ALA 37 Ca -0.06 -0.03 -0.62 0.00 0.00 0.00 0.00 54.91 54.19 1vre h ALA 37 Cb 0.56 -0.01 -0.39 0.00 0.00 0.00 0.00 17.79 17.95 1vre h ALA 37 CO 0.10 0.04 -0.76 -1.01 0.00 0.00 0.00 179.25 177.63 1vre s HIS 38 N -4.44 2.77 -0.38 0.00 3.76 0.37 -4.95 115.29 112.42 1vre s HIS 38 Ca -0.04 -2.23 0.23 0.00 -0.15 0.00 0.00 55.06 52.86 1vre s HIS 38 Cb 0.14 -2.12 0.19 0.00 1.11 0.00 0.00 32.58 31.90 1vre s HIS 38 CO 0.54 -0.87 1.29 0.45 -0.85 0.00 0.00 174.74 175.30 1vre h HIS 39 N 7.85 0.00 0.00 1.40 -0.00 -1.71 -3.06 115.15 119.64 1vre h HIS 39 Ca -0.12 0.00 0.00 0.00 -0.00 0.00 0.00 60.37 60.25 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 0.46 0.00 0.00 -0.40 -0.00 0.00 0.00 177.93 177.99 1vre n ASP 40 N -2.70 0.00 -0.00 2.45 5.75 -1.26 -3.02 116.55 117.77 1vre n ASP 40 Ca 0.02 0.46 0.00 0.00 -0.01 0.00 0.00 54.79 55.27 1vre n ASP 40 Cb 0.52 -0.48 -0.00 0.00 -1.03 0.00 0.00 41.12 40.12 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 -1.48 2.86 -0.22 0.11 2.81 -1.23 -4.53 117.12 115.44 1vre n MET 41 Ca 0.05 -0.00 0.02 0.00 -1.81 0.00 0.00 57.70 55.95 1vre n MET 41 Cb 0.20 -0.81 0.12 0.00 -0.71 0.00 0.00 33.22 32.02 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 0.07 0.69 -0.03 3.04 0.00 -1.44 0.33 119.26 121.93 1vre h ALA 42 Ca 0.00 0.19 -0.15 0.00 0.00 0.00 0.00 54.91 54.95 1vre h ALA 42 Cb 0.02 0.32 -0.02 0.00 0.00 0.00 0.00 17.79 18.12 1vre h ALA 42 CO 0.00 -0.39 -0.68 0.00 0.00 0.00 0.00 179.25 178.19 1vre h ALA 43 N 1.59 0.81 -0.71 0.00 0.00 -1.72 -0.66 119.26 118.56 1vre h ALA 43 Ca 0.35 -0.60 -0.00 0.00 0.00 0.00 0.00 54.91 54.66 1vre h ALA 43 Cb 0.58 -0.09 -0.04 0.00 0.00 0.00 0.00 17.79 18.24 1vre h ALA 43 CO -0.54 0.80 0.44 0.28 0.00 0.00 0.00 179.25 180.24 1vre h VAL 44 N 0.09 1.20 0.00 0.00 2.07 -0.70 -0.59 116.25 118.32 1vre h VAL 44 Ca -0.01 -0.41 0.00 0.00 0.82 0.00 0.00 66.70 67.10 1vre h VAL 44 Cb 1.21 0.17 0.00 0.00 -1.52 0.00 0.00 31.29 31.15 1vre h VAL 44 CO 0.10 0.20 0.00 -0.26 0.02 0.00 0.00 177.57 177.63 1vre h PHE 45 N 0.98 0.00 0.00 1.57 0.04 -0.74 -3.39 116.94 115.39 1vre h PHE 45 Ca 0.26 0.00 0.00 0.00 2.80 0.00 0.00 57.97 61.03 1vre h PHE 45 Cb -0.06 0.00 0.00 0.00 2.20 0.00 0.00 35.95 38.09 1vre h PHE 45 CO 0.00 0.00 0.00 0.41 -0.60 0.00 0.00 178.31 178.12 1vre n GLY 46 N 0.80 1.43 3.53 -1.45 0.00 -0.23 -5.01 105.19 104.26 1vre n GLY 46 Ca 0.03 0.00 -0.25 0.00 0.00 0.00 0.00 46.02 45.80 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 2.28 -0.19 1.61 0.08 -0.27 -4.95 117.98 114.54 1vre s PHE 47 Ca 0.00 -0.67 0.16 0.00 0.12 0.00 0.00 56.93 56.54 1vre s PHE 47 Cb 0.00 -1.44 0.49 0.00 -0.57 0.00 0.00 43.02 41.50 1vre s PHE 47 CO 0.00 0.39 1.39 0.45 -0.10 0.00 0.00 175.22 177.34 1vre n SER 48 N -0.79 3.47 0.00 1.36 2.88 -1.26 -3.17 113.62 116.11 1vre n SER 48 Ca -0.05 -3.13 0.00 0.00 -1.33 0.00 0.00 58.87 54.36 1vre n SER 48 Cb 0.65 -0.54 0.00 0.00 -0.75 0.00 0.00 64.21 63.57 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 -0.74 0.46 0.00 0.46 0.00 -1.26 -4.85 105.19 99.26 1vre n GLY 49 Ca 0.22 -1.79 0.11 0.00 0.00 0.00 0.00 46.02 44.56 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 -0.80 2.12 -1.29 4.61 0.00 -1.26 -3.46 120.51 120.43 1vre n ALA 50 Ca 0.00 -0.10 -0.27 0.00 0.00 0.00 0.00 53.44 53.07 1vre n ALA 50 Cb 0.00 -1.36 0.03 0.00 0.00 0.00 0.00 19.45 18.12 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 -1.34 6.99 -4.13 0.00 3.41 -1.26 -4.89 113.62 112.40 1vre n SER 51 Ca 0.09 -3.42 -0.29 0.00 -0.26 0.00 0.00 58.87 55.00 1vre n SER 51 Cb 0.20 -1.07 -0.17 0.00 -0.26 0.00 0.00 64.21 62.91 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 -0.56 2.54 0.38 4.04 -1.08 -1.22 -4.95 116.67 115.82 1vre s ASP 52 Ca 0.50 -0.45 0.15 0.00 -0.52 0.00 0.00 52.55 52.23 1vre s ASP 52 Cb 0.38 -1.16 0.78 0.00 -1.46 0.00 0.00 42.92 41.46 1vre s ASP 52 CO -0.11 0.09 1.83 1.55 0.52 0.00 0.00 175.17 179.06 1vre h PRO 53 N 6.92 0.00 -0.75 4.34 0.13 -1.94 -2.65 132.00 138.04 1vre h PRO 53 Ca -0.25 0.00 0.22 0.00 -0.87 0.00 0.00 66.00 65.09 1vre h PRO 53 Cb 1.21 0.00 -0.03 0.00 0.13 0.00 0.00 31.00 32.31 1vre h PRO 53 CO 0.48 0.36 0.54 0.78 -0.23 0.00 0.00 178.00 179.93 1vre h GLY 54 N 1.24 0.03 0.16 1.56 0.00 -1.94 0.18 103.07 104.30 1vre h GLY 54 Ca -0.00 -0.01 0.24 0.00 0.00 0.00 0.00 47.33 47.56 1vre h GLY 54 CO 0.05 0.00 0.64 -2.08 0.00 0.00 0.00 176.54 175.15 1vre h VAL 55 N 0.01 0.59 -0.00 4.60 2.07 -1.85 1.45 116.25 123.12 1vre h VAL 55 Ca 0.36 -0.07 0.00 0.00 0.82 0.00 0.00 66.70 67.81 1vre h VAL 55 Cb 1.42 0.36 0.00 0.00 -1.52 0.00 0.00 31.29 31.55 1vre h VAL 55 CO -0.01 0.04 -0.02 0.00 0.02 0.00 0.00 177.57 177.60 1vre n ALA 56 N -2.61 2.52 0.02 1.67 0.00 0.64 -3.02 120.51 119.73 1vre n ALA 56 Ca 0.20 -0.16 -0.03 0.00 0.00 0.00 0.00 53.44 53.46 1vre n ALA 56 Cb 0.87 -1.46 -0.10 0.00 0.00 0.00 0.00 19.45 18.76 1vre n ALA 56 CO 0.00 0.00 0.00 0.22 0.00 0.00 0.00 177.50 177.72 1vre h ASP 57 N 0.06 0.00 0.00 0.00 3.58 0.19 -3.22 116.42 117.04 1vre h ASP 57 Ca 0.00 0.00 0.00 0.00 0.42 0.00 0.00 57.03 57.45 1vre h ASP 57 Cb 0.32 0.00 0.00 0.00 1.72 0.00 0.00 39.33 41.37 1vre h ASP 57 CO 0.00 0.71 -0.20 -0.07 -2.88 0.00 0.00 179.24 176.80 1vre h LEU 58 N 0.00 0.00 -0.91 2.28 3.38 -1.48 -3.27 115.31 115.31 1vre h LEU 58 Ca -0.19 0.00 0.21 0.00 0.09 0.00 0.00 57.88 57.99 1vre h LEU 58 Cb 1.71 0.00 -0.12 0.00 0.09 0.00 0.00 40.66 42.34 1vre h LEU 58 CO 0.06 0.31 0.44 1.23 0.09 0.00 0.00 178.44 180.57 1vre h GLY 59 N -0.42 1.57 0.62 0.83 0.00 -1.74 1.50 103.07 105.43 1vre h GLY 59 Ca 0.00 -0.21 0.06 0.00 0.00 0.00 0.00 47.33 47.18 1vre h GLY 59 CO 0.00 -0.21 0.27 0.00 0.00 0.00 0.00 176.54 176.60 1vre h ALA 60 N 1.68 0.74 0.20 3.60 0.00 -1.75 0.36 119.26 124.11 1vre h ALA 60 Ca 0.56 0.04 -0.32 0.00 0.00 0.00 0.00 54.91 55.18 1vre h ALA 60 Cb 1.01 -0.05 0.02 0.00 0.00 0.00 0.00 17.79 18.77 1vre h ALA 60 CO -0.48 -0.09 -1.44 0.87 0.00 0.00 0.00 179.25 178.10 1vre h LYS 61 N 0.51 0.43 0.01 0.00 1.57 -0.67 -3.30 116.57 115.12 1vre h LYS 61 Ca 0.26 -0.74 0.00 0.00 -1.87 0.00 0.00 60.65 58.31 1vre h LYS 61 Cb 0.21 0.27 -0.00 0.00 0.08 0.00 0.00 32.23 32.80 1vre h LYS 61 CO -0.20 1.35 -0.01 0.28 -0.57 0.00 0.00 179.45 180.29 1vre h VAL 62 N 0.12 0.97 -0.77 0.50 2.07 0.23 -2.52 116.25 116.86 1vre h VAL 62 Ca -0.23 0.00 0.18 0.00 0.82 0.00 0.00 66.70 67.47 1vre h VAL 62 Cb 2.10 0.97 -0.13 0.00 -1.52 0.00 0.00 31.29 32.72 1vre h VAL 62 CO 0.24 0.00 0.09 -0.07 0.02 0.00 0.00 177.57 177.85 1vre h LEU 63 N -0.02 -0.19 -0.45 2.57 -0.00 -0.40 0.46 115.31 117.28 1vre h LEU 63 Ca 0.00 0.18 0.09 0.00 -0.00 0.00 0.00 57.88 58.16 1vre h LEU 63 Cb 0.03 0.29 -0.09 0.00 -0.00 0.00 0.00 40.66 40.88 1vre h LEU 63 CO -0.01 -0.14 -0.17 0.00 -0.00 0.00 0.00 178.44 178.13 1vre h ALA 64 N 1.69 0.19 -0.29 1.53 0.00 -1.53 -1.04 119.26 119.82 1vre h ALA 64 Ca 0.43 0.17 0.07 0.00 0.00 0.00 0.00 54.91 55.58 1vre h ALA 64 Cb 0.78 0.44 -0.08 0.00 0.00 0.00 0.00 17.79 18.94 1vre h ALA 64 CO -0.62 -0.51 -0.28 0.37 0.00 0.00 0.00 179.25 178.21 1vre h GLN 65 N -0.07 -0.26 -1.00 0.00 5.75 -0.85 0.22 115.11 118.90 1vre h GLN 65 Ca 0.22 0.02 0.19 0.00 -0.15 0.00 0.00 58.65 58.92 1vre h GLN 65 Cb 0.41 0.06 -0.11 0.00 1.07 0.00 0.00 27.48 28.91 1vre h GLN 65 CO -0.50 -0.17 0.61 0.82 -2.65 0.00 0.00 178.83 176.94 1vre h ILE 66 N -0.27 0.71 0.55 2.39 2.04 -1.00 0.15 117.51 122.09 1vre h ILE 66 Ca 0.15 -0.26 -0.03 0.00 1.00 0.00 0.00 64.86 65.72 1vre h ILE 66 Cb 0.50 -0.12 0.01 0.00 -0.74 0.00 0.00 36.82 36.46 1vre h ILE 66 CO -0.44 0.14 -0.27 1.23 0.00 0.00 0.00 178.15 178.81 1vre h GLY 67 N 0.77 -0.78 1.57 5.37 0.00 0.40 0.66 103.07 111.06 1vre h GLY 67 Ca 0.58 0.29 0.04 0.00 0.00 0.00 0.00 47.33 48.24 1vre h GLY 67 CO -0.38 -0.28 0.17 -2.08 0.00 0.00 0.00 176.54 173.97 1vre h VAL 68 N -0.85 0.50 0.01 4.60 2.07 0.08 0.05 116.25 122.70 1vre h VAL 68 Ca -0.08 0.00 -0.26 0.00 0.82 0.00 0.00 66.70 67.19 1vre h VAL 68 Cb 0.61 0.86 -0.04 0.00 -1.52 0.00 0.00 31.29 31.21 1vre h VAL 68 CO 0.13 0.00 -1.39 0.00 0.02 0.00 0.00 177.57 176.32 1vre h ALA 69 N 1.81 0.56 0.00 1.67 0.00 -0.01 -3.27 119.26 120.01 1vre h ALA 69 Ca 0.07 -1.20 0.00 0.00 0.00 0.00 0.00 54.91 53.78 1vre h ALA 69 Cb 0.41 0.20 0.00 0.00 0.00 0.00 0.00 17.79 18.40 1vre h ALA 69 CO -0.00 1.41 0.00 0.28 0.00 0.00 0.00 179.25 180.94 1vre h VAL 70 N 0.01 0.00 -0.32 0.00 2.07 0.23 -2.14 116.25 116.10 1vre h VAL 70 Ca -0.16 -0.24 -0.03 0.00 0.82 0.00 0.00 66.70 67.09 1vre h VAL 70 Cb 1.91 1.05 -0.02 0.00 -1.52 0.00 0.00 31.29 32.71 1vre h VAL 70 CO 0.11 0.00 0.04 -0.24 0.02 0.00 0.00 177.57 177.49 1vre n SER 71 N -2.63 3.44 -2.69 0.57 2.88 -1.08 -4.09 113.62 110.01 1vre n SER 71 Ca 0.00 -2.52 -0.04 0.00 -1.33 0.00 0.00 58.87 54.99 1vre n SER 71 Cb 0.19 -0.61 0.12 0.00 -0.75 0.00 0.00 64.21 63.17 1vre n SER 71 CO 0.00 0.00 0.00 1.41 -1.23 0.00 0.00 175.04 175.22 1vre n HIS 72 N 0.25 -1.88 -0.07 0.66 8.25 -0.80 -4.90 115.22 116.72 1vre n HIS 72 Ca 0.16 -1.87 -0.13 0.00 -0.26 0.00 0.00 57.72 55.62 1vre n HIS 72 Cb 0.78 1.39 -0.06 0.00 1.12 0.00 0.00 29.99 33.22 1vre n HIS 72 CO 0.00 0.00 0.00 -0.07 0.64 0.00 0.00 176.34 176.91 1vre h LEU 73 N 1.55 0.58 0.00 2.41 -0.00 -1.71 -3.22 115.31 114.93 1vre h LEU 73 Ca -0.35 -0.48 -0.08 0.00 -0.00 0.00 0.00 57.88 56.96 1vre h LEU 73 Cb 1.29 -0.16 -0.01 0.00 -0.00 0.00 0.00 40.66 41.77 1vre h LEU 73 CO -0.09 0.94 -1.21 0.61 -0.00 0.00 0.00 178.44 178.68 1vre n GLY 74 N 0.18 -1.33 3.30 0.83 0.00 -1.26 -4.68 105.19 102.23 1vre n GLY 74 Ca -0.05 -0.18 -0.42 0.00 0.00 0.00 0.00 46.02 45.37 1vre n GLY 74 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 1vre s ASP 75 N -5.57 5.88 -0.64 1.61 1.11 -1.21 -4.93 116.67 112.92 1vre s ASP 75 Ca -0.02 -1.58 -0.01 0.00 0.18 0.00 0.00 52.55 51.12 1vre s ASP 75 Cb 0.09 -2.08 0.45 0.00 1.07 0.00 0.00 42.92 42.44 1vre s ASP 75 CO 0.80 -0.65 1.95 -1.84 1.18 0.00 0.00 175.17 176.61 1vre n GLU 76 N 5.05 2.79 -0.67 8.23 0.28 -1.26 -4.42 120.64 130.64 1vre n GLU 76 Ca -0.11 -3.39 0.05 0.00 -0.16 0.00 0.00 57.16 53.55 1vre n GLU 76 Cb 0.42 -2.29 0.31 0.00 1.43 0.00 0.00 31.44 31.31 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 -0.88 2.59 0.00 -1.84 0.00 -1.26 -4.55 105.19 99.24 1vre n GLY 77 Ca 0.61 -0.70 0.00 0.00 0.00 0.00 0.00 46.02 45.93 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 0.50 0.00 -0.19 1.61 4.81 -1.26 -4.92 118.16 118.70 1vre n LYS 78 Ca 0.21 0.00 -0.02 0.00 -0.87 0.00 0.00 58.31 57.63 1vre n LYS 78 Cb 0.95 0.00 0.04 0.00 0.02 0.00 0.00 35.03 36.04 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 -0.05 0.00 1.64 4.05 -1.80 0.75 114.93 119.51 1vre h MET 79 Ca 0.00 0.00 -0.02 0.00 -0.28 0.00 0.00 59.70 59.40 1vre h MET 79 Cb 0.00 0.01 -0.00 0.00 -0.80 0.00 0.00 31.60 30.81 1vre h MET 79 CO 0.00 -0.04 -0.10 0.28 0.23 0.00 0.00 176.91 177.28 1vre h VAL 80 N -0.06 0.27 -0.39 -5.77 2.07 -1.91 -1.58 116.25 108.88 1vre h VAL 80 Ca 0.27 -0.78 -0.08 0.00 0.82 0.00 0.00 66.70 66.93 1vre h VAL 80 Cb 0.48 1.61 -0.01 0.00 -1.52 0.00 0.00 31.29 31.85 1vre h VAL 80 CO -0.63 0.10 -0.07 0.00 0.02 0.00 0.00 177.57 176.99 1vre h ALA 81 N 1.90 0.54 0.03 1.67 0.00 0.12 0.16 119.26 123.67 1vre h ALA 81 Ca -0.00 -0.30 -0.05 0.00 0.00 0.00 0.00 54.91 54.55 1vre h ALA 81 Cb 0.61 -0.14 0.01 0.00 0.00 0.00 0.00 17.79 18.26 1vre h ALA 81 CO 0.01 0.38 -0.22 0.93 0.00 0.00 0.00 179.25 180.36 1vre h GLU 82 N 0.55 0.09 0.05 0.00 5.08 -1.05 -3.06 114.58 116.25 1vre h GLU 82 Ca 0.10 -0.14 0.01 0.00 -1.00 0.00 0.00 59.36 58.33 1vre h GLU 82 Cb 0.59 0.05 -0.02 0.00 0.50 0.00 0.00 28.75 29.87 1vre h GLU 82 CO 0.03 1.03 -0.13 0.52 -1.00 0.00 0.00 179.01 179.46 1vre h MET 83 N -0.76 -0.23 -0.94 2.33 2.86 -1.34 0.08 114.93 116.93 1vre h MET 83 Ca -0.04 0.02 0.23 0.00 -2.06 0.00 0.00 59.70 57.85 1vre h MET 83 Cb 1.13 0.05 -0.07 0.00 0.06 0.00 0.00 31.60 32.78 1vre h MET 83 CO 0.04 -0.16 0.63 -0.22 1.06 0.00 0.00 176.91 178.26 1vre h LYS 84 N -0.24 0.31 -0.28 1.72 1.63 -0.77 0.42 116.57 119.36 1vre h LYS 84 Ca 0.03 -0.02 -0.19 0.00 -0.85 0.00 0.00 60.65 59.62 1vre h LYS 84 Cb 0.27 -0.07 0.00 0.00 -0.60 0.00 0.00 32.23 31.83 1vre h LYS 84 CO -0.09 0.20 -0.56 0.00 -3.45 0.00 0.00 179.45 175.55 1vre h ALA 85 N 1.60 0.47 -0.01 5.00 0.00 -0.95 -2.54 119.26 122.84 1vre h ALA 85 Ca 0.49 -0.52 -0.00 0.00 0.00 0.00 0.00 54.91 54.88 1vre h ALA 85 Cb 1.37 -0.07 -0.00 0.00 0.00 0.00 0.00 17.79 19.08 1vre h ALA 85 CO -0.16 0.68 0.00 0.28 0.00 0.00 0.00 179.25 180.05 1vre h VAL 86 N 0.65 1.07 -0.90 0.00 2.07 0.15 -2.18 116.25 117.12 1vre h VAL 86 Ca 0.01 -0.21 0.12 0.00 0.82 0.00 0.00 66.70 67.43 1vre h VAL 86 Cb 1.17 1.21 -0.07 0.00 -1.52 0.00 0.00 31.29 32.08 1vre h VAL 86 CO 0.12 0.06 0.58 1.23 0.02 0.00 0.00 177.57 179.58 1vre h GLY 87 N -0.08 1.30 2.00 2.17 0.00 -1.11 0.52 103.07 107.87 1vre h GLY 87 Ca 0.00 -0.35 0.00 0.00 0.00 0.00 0.00 47.33 46.98 1vre h GLY 87 CO -0.00 0.16 0.00 -2.08 0.00 0.00 0.00 176.54 174.62 1vre h VAL 88 N 0.83 0.00 0.00 4.60 2.07 -0.95 0.19 116.25 123.00 1vre h VAL 88 Ca 0.43 -0.00 0.00 0.00 0.82 0.00 0.00 66.70 67.95 1vre h VAL 88 Cb 0.52 0.90 0.00 0.00 -1.52 0.00 0.00 31.29 31.19 1vre h VAL 88 CO -0.20 0.00 -0.25 0.03 0.02 0.00 0.00 177.57 177.17 1vre h ARG 89 N 0.00 0.00 -0.76 1.57 2.47 0.21 -3.19 114.38 114.69 1vre h ARG 89 Ca 0.00 0.00 0.00 0.00 -1.26 0.00 0.00 59.98 58.72 1vre h ARG 89 Cb 0.00 0.00 0.00 0.00 -1.65 0.00 0.00 29.97 28.32 1vre h ARG 89 CO 0.00 0.00 0.00 0.72 0.56 0.00 0.00 179.97 181.25 1vre n HIS 90 N -2.85 1.01 -0.05 3.04 8.25 0.67 -4.13 115.22 121.17 1vre n HIS 90 Ca 0.03 -0.36 -0.01 0.00 -0.26 0.00 0.00 57.72 57.12 1vre n HIS 90 Cb 0.52 -0.29 -0.01 0.00 1.12 0.00 0.00 29.99 31.33 1vre n HIS 90 CO 0.00 0.00 0.00 0.87 0.64 0.00 0.00 176.34 177.85 1vre h LYS 91 N 2.02 0.00 -0.96 -0.41 1.57 -1.62 -3.42 116.57 113.75 1vre h LYS 91 Ca 0.00 0.00 -0.35 0.00 -1.87 0.00 0.00 60.65 58.43 1vre h LYS 91 Cb 1.20 0.00 -0.29 0.00 0.08 0.00 0.00 32.23 33.21 1vre h LYS 91 CO 0.23 0.09 -0.86 0.41 -0.57 0.00 0.00 179.45 178.74 1vre n GLY 92 N 1.76 2.04 0.00 3.86 0.00 -1.26 -4.34 105.19 107.25 1vre n GLY 92 Ca -0.01 -0.91 0.00 0.00 0.00 0.00 0.00 46.02 45.10 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 0.12 0.00 -0.05 1.61 4.02 -1.26 -4.85 117.16 116.74 1vre n TYR 93 Ca 0.13 0.00 -0.06 0.00 -0.01 0.00 0.00 57.90 57.96 1vre n TYR 93 Cb 0.73 0.00 -0.02 0.00 -0.02 0.00 0.00 39.34 40.03 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 4.32 -0.47 0.26 2.72 0.00 -1.26 -4.61 105.19 106.15 1vre n GLY 94 Ca 0.00 -0.22 -0.12 0.00 0.00 0.00 0.00 46.02 45.69 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 -0.65 0.91 0.00 1.61 -1.24 -1.91 -3.45 115.58 110.84 1vre h ASN 95 Ca 0.00 -0.40 0.00 0.00 0.71 0.00 0.00 56.30 56.61 1vre h ASN 95 Cb 0.65 -0.25 0.00 0.00 0.73 0.00 0.00 38.32 39.45 1vre h ASN 95 CO 0.00 1.10 0.00 1.17 -1.29 0.00 0.00 177.43 178.41 1vre n LYS 96 N -4.21 0.00 -1.68 6.67 3.00 -1.26 -4.73 118.16 115.95 1vre n LYS 96 Ca -0.01 0.00 -0.19 0.00 -0.00 0.00 0.00 58.31 58.11 1vre n LYS 96 Cb 0.43 0.00 -0.10 0.00 0.00 0.00 0.00 35.03 35.36 1vre n LYS 96 CO 0.00 0.00 0.00 0.72 0.00 0.00 0.00 177.40 178.12 1vre n HIS 97 N 0.00 1.41 -4.19 5.64 8.25 -1.26 -4.70 115.22 120.36 1vre n HIS 97 Ca 0.00 -0.57 -0.23 0.00 -0.26 0.00 0.00 57.72 56.66 1vre n HIS 97 Cb 0.00 -2.55 -0.06 0.00 1.12 0.00 0.00 29.99 28.50 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 15.19 3.98 -0.01 1.59 1.01 -1.26 -5.00 121.20 136.70 1vre s ILE 98 Ca 0.77 -1.57 -0.01 0.00 0.00 0.00 0.00 60.65 59.85 1vre s ILE 98 Cb -0.03 -3.11 0.00 0.00 0.01 0.00 0.00 42.46 39.33 1vre s ILE 98 CO 0.18 -0.31 0.02 -0.54 0.00 0.00 0.00 174.94 174.29 1vre s LYS 99 N -3.60 0.02 0.00 2.79 3.01 -1.26 -4.98 119.74 115.73 1vre s LYS 99 Ca 0.31 0.03 0.29 0.00 -1.01 0.00 0.00 55.97 55.60 1vre s LYS 99 Cb -0.08 0.00 1.61 0.00 -1.01 0.00 0.00 37.83 38.35 1vre s LYS 99 CO 0.22 -0.01 2.04 0.00 0.51 0.00 0.00 175.35 178.11 1vre n ALA 100 N 3.11 2.51 0.15 5.17 0.00 -1.26 -3.13 120.51 127.06 1vre n ALA 100 Ca -0.13 -0.16 0.02 0.00 0.00 0.00 0.00 53.44 53.18 1vre n ALA 100 Cb 0.60 -1.47 0.15 0.00 0.00 0.00 0.00 19.45 18.73 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 -0.21 0.00 5.08 -2.01 -2.94 114.58 114.50 1vre h GLU 101 Ca 0.00 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.36 1vre h GLU 101 Cb 0.12 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.37 1vre h GLU 101 CO 0.00 0.52 0.00 0.66 -1.00 0.00 0.00 179.01 179.19 1vre n TYR 102 N -3.41 0.27 -0.05 4.33 4.02 -1.18 -4.12 117.16 117.01 1vre n TYR 102 Ca 0.01 -0.13 -0.01 0.00 -0.01 0.00 0.00 57.90 57.75 1vre n TYR 102 Cb 0.66 -0.00 -0.00 0.00 -0.02 0.00 0.00 39.34 39.97 1vre n TYR 102 CO 0.00 0.00 0.00 0.74 -1.01 0.00 0.00 176.86 176.59 1vre h PHE 103 N 1.14 0.00 -0.02 -0.72 -1.00 -1.72 -3.00 116.94 111.62 1vre h PHE 103 Ca 0.00 0.00 0.03 0.00 2.81 0.00 0.00 57.97 60.81 1vre h PHE 103 Cb 0.27 0.00 -0.06 0.00 3.61 0.00 0.00 35.95 39.77 1vre h PHE 103 CO 0.13 0.00 -0.43 1.49 -1.61 0.00 0.00 178.31 177.89 1vre h GLU 104 N -0.87 -0.55 -0.74 1.51 4.81 -1.76 -0.86 114.58 116.12 1vre h GLU 104 Ca 0.00 0.04 0.11 0.00 -0.13 0.00 0.00 59.36 59.37 1vre h GLU 104 Cb 0.15 0.12 -0.08 0.00 0.63 0.00 0.00 28.75 29.57 1vre h GLU 104 CO 0.00 -0.37 0.37 -1.00 -0.73 0.00 0.00 179.01 177.28 1vre h PRO 105 N -0.57 0.58 0.00 0.92 0.13 -1.76 0.47 132.00 131.77 1vre h PRO 105 Ca 0.05 -0.03 0.00 0.00 -0.87 0.00 0.00 66.00 65.14 1vre h PRO 105 Cb 0.66 -0.13 0.00 0.00 0.13 0.00 0.00 31.00 31.66 1vre h PRO 105 CO -0.34 0.38 0.00 1.25 -0.23 0.00 0.00 178.00 179.07 1vre h LEU 106 N 0.60 0.00 0.15 1.56 7.12 -1.15 -2.14 115.31 121.45 1vre h LEU 106 Ca 0.37 0.00 -0.32 0.00 0.13 0.00 0.00 57.88 58.07 1vre h LEU 106 Cb 0.43 0.00 0.00 0.00 -0.53 0.00 0.00 40.66 40.56 1vre h LEU 106 CO -0.29 0.00 -1.55 1.23 -0.13 0.00 0.00 178.44 177.70 1vre h GLY 107 N 0.89 0.36 0.80 3.75 0.00 0.13 -2.97 103.07 106.02 1vre h GLY 107 Ca 0.00 -0.91 -0.04 0.00 0.00 0.00 0.00 47.33 46.38 1vre h GLY 107 CO 0.00 0.80 -0.37 0.00 0.00 0.00 0.00 176.54 176.97 1vre h ALA 108 N 0.39 -1.04 0.00 3.60 0.00 -0.77 -1.68 119.26 119.76 1vre h ALA 108 Ca -0.26 -0.23 0.00 0.00 0.00 0.00 0.00 54.91 54.42 1vre h ALA 108 Cb 2.05 0.40 0.00 0.00 0.00 0.00 0.00 17.79 20.24 1vre h ALA 108 CO 0.18 -0.97 0.00 1.03 0.00 0.00 0.00 179.25 179.49 1vre h SER 109 N -1.25 0.00 0.32 0.00 0.87 -1.69 -1.03 113.55 110.78 1vre h SER 109 Ca -0.11 0.00 -0.25 0.00 -1.23 0.00 0.00 61.79 60.21 1vre h SER 109 Cb 0.80 0.00 0.01 0.00 -0.44 0.00 0.00 62.40 62.77 1vre h SER 109 CO 0.17 0.00 -1.04 0.25 -0.53 0.00 0.00 176.83 175.69 1vre h LEU 110 N 0.00 0.60 -1.71 2.23 6.46 -1.28 -3.12 115.31 118.48 1vre h LEU 110 Ca 0.00 -0.51 -0.04 0.00 -0.12 0.00 0.00 57.88 57.21 1vre h LEU 110 Cb 0.01 -0.19 -0.01 0.00 -0.73 0.00 0.00 40.66 39.75 1vre h LEU 110 CO 0.00 1.32 -0.17 -0.07 -0.62 0.00 0.00 178.44 178.90 1vre h LEU 111 N 0.23 0.00 -1.09 2.25 3.38 -0.26 -1.85 115.31 117.97 1vre h LEU 111 Ca -0.11 0.00 -0.07 0.00 0.09 0.00 0.00 57.88 57.79 1vre h LEU 111 Cb 1.69 0.00 -0.02 0.00 0.09 0.00 0.00 40.66 42.43 1vre h LEU 111 CO 0.18 0.17 -0.13 0.28 0.09 0.00 0.00 178.44 179.03 1vre h SER 112 N 0.00 0.48 0.12 -0.43 0.02 -1.48 -2.83 113.55 109.43 1vre h SER 112 Ca -0.00 -0.12 -0.25 0.00 -0.84 0.00 0.00 61.79 60.58 1vre h SER 112 Cb 0.32 -0.13 0.01 0.00 0.14 0.00 0.00 62.40 62.75 1vre h SER 112 CO 0.02 0.64 -0.97 0.00 -1.14 0.00 0.00 176.83 175.38 1vre h ALA 113 N 1.41 0.25 -0.85 3.77 0.00 -1.41 -3.24 119.26 119.20 1vre h ALA 113 Ca 0.08 -0.69 0.21 0.00 0.00 0.00 0.00 54.91 54.51 1vre h ALA 113 Cb 0.50 0.02 -0.13 0.00 0.00 0.00 0.00 17.79 18.18 1vre h ALA 113 CO 0.03 0.74 0.28 0.52 0.00 0.00 0.00 179.25 180.81 1vre h MET 114 N 0.34 0.28 -0.16 0.00 2.07 -1.20 0.86 114.93 117.13 1vre h MET 114 Ca -0.10 -0.02 0.05 0.00 -2.07 0.00 0.00 59.70 57.56 1vre h MET 114 Cb 1.61 -0.06 -0.01 0.00 -1.87 0.00 0.00 31.60 31.27 1vre h MET 114 CO 0.18 0.19 0.41 0.93 1.07 0.00 0.00 176.91 179.69 1vre h GLU 115 N 0.29 0.00 -0.73 1.72 5.08 -1.57 -0.22 114.58 119.15 1vre h GLU 115 Ca 0.52 0.00 0.09 0.00 -1.00 0.00 0.00 59.36 58.97 1vre h GLU 115 Cb 0.99 0.00 -0.05 0.00 0.50 0.00 0.00 28.75 30.19 1vre h GLU 115 CO -0.57 0.00 0.48 0.45 -1.00 0.00 0.00 179.01 178.37 1vre h HIS 116 N 0.00 0.70 0.00 4.33 3.86 0.58 0.14 115.15 124.76 1vre h HIS 116 Ca 0.07 0.02 0.00 0.00 -1.16 0.00 0.00 60.37 59.30 1vre h HIS 116 Cb 0.90 -0.23 0.00 0.00 1.06 0.00 0.00 27.41 29.14 1vre h HIS 116 CO 0.00 0.34 0.00 -2.13 0.86 0.00 0.00 177.93 177.00 1vre n ARG 117 N -4.49 0.00 -0.20 2.45 0.63 -0.09 -4.58 116.66 110.37 1vre n ARG 117 Ca 0.12 0.00 0.08 0.00 -0.92 0.00 0.00 57.85 57.13 1vre n ARG 117 Cb 0.31 -0.07 0.37 0.00 0.45 0.00 0.00 32.46 33.52 1vre n ARG 117 CO 0.00 0.00 0.00 -0.84 -2.51 0.00 0.00 177.63 174.28 1vre h ILE 118 N 0.00 0.97 0.00 5.15 3.07 -1.72 -3.43 117.51 121.54 1vre h ILE 118 Ca 0.00 -0.25 0.00 0.00 1.55 0.00 0.00 64.86 66.16 1vre h ILE 118 Cb 0.00 0.19 0.00 0.00 -0.27 0.00 0.00 36.82 36.74 1vre h ILE 118 CO 0.00 0.13 0.00 0.61 -1.05 0.00 0.00 178.15 177.84 1vre n GLY 119 N -1.45 0.57 0.31 0.16 0.00 0.49 -1.17 105.19 104.10 1vre n GLY 119 Ca 0.12 0.75 0.14 0.00 0.00 0.00 0.00 46.02 47.03 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 1.36 2.00 -0.02 0.00 -1.84 1.25 103.07 105.82 1vre h GLY 120 Ca 0.00 0.00 -0.05 0.00 0.00 0.00 0.00 47.33 47.28 1vre h GLY 120 CO 0.00 -0.41 -0.24 0.50 0.00 0.00 0.00 176.54 176.39 1vre h LYS 121 N 0.16 0.00 -5.31 4.80 1.57 -1.51 -3.37 116.57 112.91 1vre h LYS 121 Ca 0.57 0.00 -0.19 0.00 -1.87 0.00 0.00 60.65 59.16 1vre h LYS 121 Cb 1.18 0.00 -0.02 0.00 0.08 0.00 0.00 32.23 33.46 1vre h LYS 121 CO -0.71 0.24 0.60 1.41 -0.57 0.00 0.00 179.45 180.42 1vre s MET 122 N -3.95 1.88 0.41 3.15 1.75 0.43 -4.86 119.30 118.11 1vre s MET 122 Ca -0.01 -0.80 -0.06 0.00 -1.25 0.00 0.00 55.69 53.56 1vre s MET 122 Cb 0.12 -5.12 0.09 0.00 2.84 0.00 0.00 34.83 32.77 1vre s MET 122 CO 0.64 -4.68 0.56 0.27 -0.65 0.00 0.00 175.02 171.17 1vre n ASN 123 N 16.85 0.14 -0.14 1.11 6.94 -1.26 -4.79 115.26 134.11 1vre n ASN 123 Ca 0.43 -1.26 -0.09 0.00 -0.02 0.00 0.00 54.58 53.65 1vre n ASN 123 Cb 0.47 -0.42 -0.00 0.00 -2.36 0.00 0.00 39.78 37.46 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 -1.67 0.52 -0.08 -2.53 0.00 -1.97 -1.98 119.26 111.56 1vre h ALA 124 Ca -0.18 -0.10 -0.03 0.00 0.00 0.00 0.00 54.91 54.60 1vre h ALA 124 Cb 0.52 -0.16 -0.01 0.00 0.00 0.00 0.00 17.79 18.14 1vre h ALA 124 CO 0.14 0.08 -0.08 0.00 0.00 0.00 0.00 179.25 179.39 1vre h ALA 125 N 1.05 1.72 -0.24 0.00 0.00 -1.96 0.31 119.26 120.13 1vre h ALA 125 Ca 0.14 -0.12 -0.07 0.00 0.00 0.00 0.00 54.91 54.85 1vre h ALA 125 Cb 0.11 -0.05 -0.01 0.00 0.00 0.00 0.00 17.79 17.84 1vre h ALA 125 CO -0.02 0.21 -0.14 0.00 0.00 0.00 0.00 179.25 179.30 1vre h ALA 126 N 1.81 0.34 0.00 0.00 0.00 -1.73 0.55 119.26 120.23 1vre h ALA 126 Ca 0.03 -0.32 -0.16 0.00 0.00 0.00 0.00 54.91 54.46 1vre h ALA 126 Cb 0.22 -0.08 -0.02 0.00 0.00 0.00 0.00 17.79 17.91 1vre h ALA 126 CO 0.01 0.22 -0.75 1.57 0.00 0.00 0.00 179.25 180.31 1vre h LYS 127 N 0.23 0.00 0.08 0.00 2.10 -0.88 -2.54 116.57 115.56 1vre h LYS 127 Ca 0.05 0.00 -0.13 0.00 -2.00 0.00 0.00 60.65 58.57 1vre h LYS 127 Cb 0.66 0.00 0.01 0.00 -0.90 0.00 0.00 32.23 32.00 1vre h LYS 127 CO 0.04 0.75 -0.55 0.22 -2.00 0.00 0.00 179.45 177.91 1vre h ASP 128 N 0.00 0.34 -0.32 7.07 3.58 -0.31 -0.74 116.42 126.04 1vre h ASP 128 Ca -0.01 -0.93 0.03 0.00 0.42 0.00 0.00 57.03 56.54 1vre h ASP 128 Cb 1.33 -0.11 -0.03 0.00 1.72 0.00 0.00 39.33 42.24 1vre h ASP 128 CO 0.10 1.24 0.12 0.00 -2.88 0.00 0.00 179.24 177.82 1vre h ALA 129 N 0.10 0.37 0.00 -0.78 0.00 0.06 -1.34 119.26 117.67 1vre h ALA 129 Ca -0.09 0.03 -0.12 0.00 0.00 0.00 0.00 54.91 54.73 1vre h ALA 129 Cb 1.40 0.00 -0.02 0.00 0.00 0.00 0.00 17.79 19.17 1vre h ALA 129 CO 0.10 -0.27 -0.58 -1.49 0.00 0.00 0.00 179.25 177.01 1vre h TRP 130 N 0.27 0.00 0.00 0.00 6.55 -1.55 0.18 115.95 121.39 1vre h TRP 130 Ca 0.14 0.00 -0.02 0.00 0.95 0.00 0.00 58.89 59.96 1vre h TRP 130 Cb 0.10 0.00 -0.00 0.00 -0.86 0.00 0.00 29.16 28.40 1vre h TRP 130 CO -0.13 0.58 -0.11 0.00 -1.05 0.00 0.00 178.44 177.73 1vre h ALA 131 N 1.42 1.41 0.00 1.49 0.00 -0.09 -1.72 119.26 121.77 1vre h ALA 131 Ca -0.01 -0.10 -0.17 0.00 0.00 0.00 0.00 54.91 54.63 1vre h ALA 131 Cb 1.04 -0.02 -0.03 0.00 0.00 0.00 0.00 17.79 18.78 1vre h ALA 131 CO 0.08 0.14 -2.13 0.00 0.00 0.00 0.00 179.25 177.33 1vre n ALA 132 N -2.33 2.15 0.06 0.00 0.00 -0.62 -4.27 120.51 115.50 1vre n ALA 132 Ca -0.02 -0.88 -0.13 0.00 0.00 0.00 0.00 53.44 52.41 1vre n ALA 132 Cb 0.21 -0.44 -0.09 0.00 0.00 0.00 0.00 19.45 19.14 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 1.43 -0.16 -0.65 0.00 0.00 -0.20 -2.66 119.26 117.01 1vre h ALA 133 Ca -0.26 -0.19 0.19 0.00 0.00 0.00 0.00 54.91 54.66 1vre h ALA 133 Cb 1.56 0.06 -0.03 0.00 0.00 0.00 0.00 17.79 19.39 1vre h ALA 133 CO 0.01 -0.41 0.51 1.88 0.00 0.00 0.00 179.25 181.24 1vre h TYR 134 N -0.53 0.00 -0.34 0.00 0.05 -1.55 0.19 116.97 114.78 1vre h TYR 134 Ca -0.02 0.00 -0.00 0.00 0.05 0.00 0.00 58.73 58.76 1vre h TYR 134 Cb 0.43 0.00 -0.02 0.00 1.01 0.00 0.00 36.73 38.15 1vre h TYR 134 CO 0.04 0.00 0.21 0.00 -1.05 0.00 0.00 178.16 177.36 1vre h ALA 135 N 1.60 0.44 -0.07 3.88 0.00 -1.65 1.52 119.26 124.97 1vre h ALA 135 Ca 0.31 -0.05 -0.13 0.00 0.00 0.00 0.00 54.91 55.04 1vre h ALA 135 Cb 1.32 -0.14 0.01 0.00 0.00 0.00 0.00 17.79 18.98 1vre h ALA 135 CO -0.00 -0.07 -0.47 -0.44 0.00 0.00 0.00 179.25 178.28 1vre h ASP 136 N 0.45 0.54 0.62 0.00 5.19 -0.69 0.82 116.42 123.34 1vre h ASP 136 Ca 0.12 -0.66 -0.03 0.00 -0.62 0.00 0.00 57.03 55.84 1vre h ASP 136 Cb 0.00 -0.16 0.01 0.00 0.18 0.00 0.00 39.33 39.36 1vre h ASP 136 CO -0.02 1.12 -0.30 0.40 -3.12 0.00 0.00 179.24 177.32 1vre h ILE 137 N -0.00 0.26 0.00 0.35 2.04 -0.78 0.52 117.51 119.90 1vre h ILE 137 Ca -0.04 -0.28 -0.05 0.00 1.00 0.00 0.00 64.86 65.50 1vre h ILE 137 Cb 1.12 0.34 -0.01 0.00 -0.74 0.00 0.00 36.82 37.54 1vre h ILE 137 CO 0.10 0.03 -0.23 0.77 0.00 0.00 0.00 178.15 178.82 1vre h SER 138 N -1.05 0.00 -0.05 1.72 4.64 0.21 -2.38 113.55 116.63 1vre h SER 138 Ca -0.09 0.00 -0.08 0.00 -0.47 0.00 0.00 61.79 61.16 1vre h SER 138 Cb 0.69 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.78 1vre h SER 138 CO 0.14 0.23 -0.27 1.23 -0.87 0.00 0.00 176.83 177.29 1vre h GLY 139 N 1.35 0.30 2.00 -0.77 0.00 0.92 -3.06 103.07 103.81 1vre h GLY 139 Ca -0.00 -0.43 -0.01 0.00 0.00 0.00 0.00 47.33 46.89 1vre h GLY 139 CO 0.03 0.38 -0.06 0.00 0.00 0.00 0.00 176.54 176.89 1vre h ALA 140 N 0.41 1.14 -0.15 3.60 0.00 0.23 -2.14 119.26 122.35 1vre h ALA 140 Ca -0.02 -0.06 -0.12 0.00 0.00 0.00 0.00 54.91 54.72 1vre h ALA 140 Cb 0.92 -0.01 -0.01 0.00 0.00 0.00 0.00 17.79 18.69 1vre h ALA 140 CO 0.05 0.08 -0.41 1.25 0.00 0.00 0.00 179.25 180.22 1vre h LEU 141 N 0.00 0.35 -0.40 0.00 6.46 -1.33 -2.43 115.31 117.97 1vre h LEU 141 Ca -0.00 -0.15 0.00 0.00 -0.12 0.00 0.00 57.88 57.61 1vre h LEU 141 Cb 0.31 -0.10 0.00 0.00 -0.73 0.00 0.00 40.66 40.14 1vre h LEU 141 CO 0.01 0.73 0.00 -0.38 -0.62 0.00 0.00 178.44 178.18 1vre n ILE 142 N -4.02 0.15 0.22 4.05 5.41 -0.80 -3.51 119.36 120.85 1vre n ILE 142 Ca -0.02 -0.15 0.11 0.00 1.00 0.00 0.00 62.75 63.70 1vre n ILE 142 Cb 0.49 0.07 0.39 0.00 -0.71 0.00 0.00 39.64 39.89 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 0.63 0.00 0.00 4.38 0.02 -1.48 -3.25 113.55 113.85 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 0.15 0.00 0.00 0.00 0.14 0.00 0.00 62.40 62.69 1vre h SER 143 CO 0.00 0.18 0.00 0.61 -1.14 0.00 0.00 176.83 176.48 1vre n GLY 144 N 0.45 -0.36 3.72 -3.77 0.00 -1.23 -5.03 105.19 98.97 1vre n GLY 144 Ca 0.01 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.68 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 -0.09 4.16 0.00 0.99 1.98 -1.23 -3.95 118.68 120.55 1vre s LEU 145 Ca 0.00 0.21 0.00 0.00 -2.89 0.00 0.00 54.13 51.45 1vre s LEU 145 Cb 0.00 -2.08 0.00 0.00 0.66 0.00 0.00 46.19 44.77 1vre s LEU 145 CO 0.00 0.17 0.00 0.00 -1.89 0.00 0.00 176.35 174.63 1vre n GLN 146 N 3.58 0.00 -0.39 1.98 6.02 -1.26 -4.83 117.38 122.49 1vre n GLN 146 Ca -0.16 0.00 0.00 0.00 -0.01 0.00 0.00 57.00 56.83 1vre n GLN 146 Cb 0.52 0.00 0.00 0.00 1.02 0.00 0.00 30.24 31.78 1vre n GLN 146 CO 0.00 0.00 0.00 0.45 -1.01 0.00 0.00 177.06 176.50