#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1vre n LEU 2 N 0.00 -0.83 0.00 0.99 4.77 -1.26 -5.03 117.00 115.64 1vre n LEU 2 Ca 0.00 1.92 -0.13 0.00 -0.03 0.00 0.00 56.01 57.77 1vre n LEU 2 Cb 0.00 -3.64 -0.01 0.00 -2.33 0.00 0.00 43.42 37.43 1vre n LEU 2 CO 0.00 -2.27 0.28 -1.54 -1.33 0.00 0.00 177.39 172.53 1vre n SER 3 N -4.26 -1.66 0.22 -1.43 3.41 -1.26 -4.99 113.62 103.65 1vre n SER 3 Ca -0.06 -2.86 0.10 0.00 -0.26 0.00 0.00 58.87 55.80 1vre n SER 3 Cb 0.63 2.97 0.37 0.00 -0.26 0.00 0.00 64.21 67.92 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 2.04 0.95 0.11 7.33 0.00 -1.99 -2.12 119.26 125.58 1vre h ALA 4 Ca -0.30 -0.17 -0.32 0.00 0.00 0.00 0.00 54.91 54.12 1vre h ALA 4 Cb 1.23 -0.03 -0.01 0.00 0.00 0.00 0.00 17.79 18.98 1vre h ALA 4 CO 0.39 0.23 -1.68 0.00 0.00 0.00 0.00 179.25 178.20 1vre h ALA 5 N 1.81 0.36 -0.05 0.00 0.00 -1.99 -3.23 119.26 116.16 1vre h ALA 5 Ca -0.00 -1.22 -0.03 0.00 0.00 0.00 0.00 54.91 53.66 1vre h ALA 5 Cb 0.87 0.42 -0.00 0.00 0.00 0.00 0.00 17.79 19.07 1vre h ALA 5 CO 0.02 1.22 -0.08 1.96 0.00 0.00 0.00 179.25 182.38 1vre h GLN 6 N 0.07 0.14 -0.42 0.00 4.20 -1.93 -2.16 115.11 114.99 1vre h GLN 6 Ca -0.30 -0.08 0.11 0.00 0.06 0.00 0.00 58.65 58.44 1vre h GLN 6 Cb 2.03 0.01 -0.02 0.00 0.30 0.00 0.00 27.48 29.80 1vre h GLN 6 CO 0.14 0.64 0.30 0.07 -0.67 0.00 0.00 178.83 179.31 1vre h ARG 7 N -0.36 0.09 -0.11 1.46 0.11 -1.54 -0.82 114.38 113.20 1vre h ARG 7 Ca 0.00 -0.01 -0.19 0.00 0.10 0.00 0.00 59.98 59.89 1vre h ARG 7 Cb 0.63 -0.02 0.01 0.00 1.11 0.00 0.00 29.97 31.70 1vre h ARG 7 CO 0.02 0.06 -0.67 1.96 0.10 0.00 0.00 179.97 181.43 1vre h GLN 8 N 0.09 0.66 0.00 0.08 1.08 -1.54 -2.96 115.11 112.53 1vre h GLN 8 Ca 0.20 -0.55 -0.00 0.00 -1.45 0.00 0.00 58.65 56.84 1vre h GLN 8 Cb 0.67 0.12 -0.00 0.00 -0.05 0.00 0.00 27.48 28.22 1vre h GLN 8 CO -0.02 1.17 -0.02 0.28 -0.95 0.00 0.00 178.83 179.29 1vre h VAL 9 N 0.32 0.27 -0.11 -0.54 2.07 -0.50 -1.99 116.25 115.77 1vre h VAL 9 Ca -0.05 -0.11 -0.15 0.00 0.82 0.00 0.00 66.70 67.21 1vre h VAL 9 Cb 1.32 1.09 0.01 0.00 -1.52 0.00 0.00 31.29 32.18 1vre h VAL 9 CO 0.14 0.02 -0.52 0.58 0.02 0.00 0.00 177.57 177.81 1vre h VAL 10 N 0.00 1.36 0.00 2.57 2.07 -1.25 -2.58 116.25 118.42 1vre h VAL 10 Ca -0.00 -1.83 0.00 0.00 0.82 0.00 0.00 66.70 65.69 1vre h VAL 10 Cb 0.08 2.17 0.00 0.00 -1.52 0.00 0.00 31.29 32.03 1vre h VAL 10 CO 0.00 0.55 0.00 0.00 0.02 0.00 0.00 177.57 178.14 1vre n ALA 11 N -2.55 2.00 -0.05 1.67 0.00 -0.78 -1.99 120.51 118.80 1vre n ALA 11 Ca -0.08 -0.08 -0.09 0.00 0.00 0.00 0.00 53.44 53.18 1vre n ALA 11 Cb 0.61 -1.33 -0.15 0.00 0.00 0.00 0.00 19.45 18.58 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 -1.40 0.56 0.02 0.00 7.64 -1.00 -3.86 113.62 115.58 1vre n SER 12 Ca 0.07 0.24 0.11 0.00 1.01 0.00 0.00 58.87 60.31 1vre n SER 12 Cb 0.20 0.34 0.08 0.00 -1.01 0.00 0.00 64.21 63.83 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 -2.94 0.14 0.17 0.44 -2.24 -0.99 -3.95 114.28 104.92 1vre n THR 13 Ca -0.24 -0.17 0.12 0.00 -2.27 0.00 0.00 64.05 61.49 1vre n THR 13 Cb 1.09 0.24 0.05 0.00 -2.10 0.00 0.00 70.33 69.62 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 -1.56 -3.04 115.95 123.13 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 0.66 0.00 0.00 0.00 -2.10 0.00 0.00 29.16 27.72 1vre h TRP 14 CO 0.00 0.00 -0.08 1.63 -2.79 0.00 0.00 178.44 177.20 1vre n LYS 15 N -2.70 0.75 -0.05 2.65 5.02 -1.25 -2.58 118.16 120.00 1vre n LYS 15 Ca 0.01 -0.22 -0.11 0.00 -2.02 0.00 0.00 58.31 55.97 1vre n LYS 15 Cb 0.54 -1.50 -0.04 0.00 -0.02 0.00 0.00 35.03 34.01 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 -0.93 1.11 -0.06 4.39 9.92 -1.24 -3.87 116.55 125.87 1vre n ASP 16 Ca 0.16 0.18 -0.04 0.00 -0.53 0.00 0.00 54.79 54.55 1vre n ASP 16 Cb 0.26 -0.43 0.17 0.00 -0.64 0.00 0.00 41.12 40.48 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 -0.47 1.25 -0.70 0.53 2.04 -1.69 -2.64 117.51 115.83 1vre h ILE 17 Ca -0.22 -1.12 -0.30 0.00 1.00 0.00 0.00 64.86 64.22 1vre h ILE 17 Cb 1.02 1.07 -0.18 0.00 -0.74 0.00 0.00 36.82 37.99 1vre h ILE 17 CO -0.13 0.38 0.30 0.00 0.00 0.00 0.00 178.15 178.69 1vre n ALA 18 N -2.48 4.76 0.00 1.87 0.00 -1.07 -4.10 120.51 119.49 1vre n ALA 18 Ca 0.01 -2.75 -0.01 0.00 0.00 0.00 0.00 53.44 50.70 1vre n ALA 18 Cb 0.35 -1.15 -0.00 0.00 0.00 0.00 0.00 19.45 18.65 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 1.58 -1.30 0.00 0.00 0.00 -1.58 -2.57 103.07 99.20 1vre h GLY 19 Ca 0.37 0.56 -0.25 0.00 0.00 0.00 0.00 47.33 48.02 1vre h GLY 19 CO 0.74 -0.49 -1.93 -1.14 0.00 0.00 0.00 176.54 173.73 1vre n SER 20 N -2.62 2.43 0.27 0.19 3.41 -1.26 -4.44 113.62 111.60 1vre n SER 20 Ca -0.00 -0.06 0.16 0.00 -0.26 0.00 0.00 58.87 58.71 1vre n SER 20 Cb 0.02 0.07 0.60 0.00 -0.26 0.00 0.00 64.21 64.64 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 -3.66 4.04 2.03 -1.82 -3.46 116.42 113.55 1vre h ASP 21 Ca -0.36 0.00 -0.31 0.00 -0.73 0.00 0.00 57.03 55.62 1vre h ASP 21 Cb 1.64 0.00 -0.01 0.00 -0.83 0.00 0.00 39.33 40.13 1vre h ASP 21 CO -0.03 0.00 -0.41 -3.20 -1.03 0.00 0.00 179.24 174.57 1vre n ASN 22 N -3.09 -4.63 0.00 4.15 5.15 -0.97 0.24 115.26 116.10 1vre n ASN 22 Ca 0.01 0.08 0.00 0.00 -0.60 0.00 0.00 54.58 54.08 1vre n ASN 22 Cb 0.34 -3.89 0.00 0.00 -0.53 0.00 0.00 39.78 35.70 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 -0.92 0.67 0.11 8.20 0.00 -1.26 -3.76 105.19 108.24 1vre n GLY 23 Ca -0.17 -0.37 -0.13 0.00 0.00 0.00 0.00 46.02 45.35 1vre n GLY 23 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1vre h ALA 24 N 0.00 0.18 -0.29 4.61 0.00 -0.42 -2.78 119.26 120.56 1vre h ALA 24 Ca 0.00 -0.27 0.00 0.00 0.00 0.00 0.00 54.91 54.64 1vre h ALA 24 Cb 0.00 -0.04 0.00 0.00 0.00 0.00 0.00 17.79 17.75 1vre h ALA 24 CO 0.00 -0.03 0.00 0.41 0.00 0.00 0.00 179.25 179.63 1vre n GLY 25 N 0.04 0.94 0.11 0.00 0.00 -1.26 -3.62 105.19 101.39 1vre n GLY 25 Ca -0.06 -0.35 -0.12 0.00 0.00 0.00 0.00 46.02 45.49 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 0.36 1.47 -0.01 1.61 0.31 -1.06 -4.03 118.33 116.99 1vre n VAL 26 Ca 0.11 -0.77 -0.21 0.00 -0.01 0.00 0.00 64.34 63.45 1vre n VAL 26 Cb 0.37 -0.84 -0.14 0.00 -0.91 0.00 0.00 33.84 32.32 1vre n VAL 26 CO 0.00 0.00 0.00 1.23 -1.32 0.00 0.00 176.83 176.74 1vre h GLY 27 N 3.30 0.24 0.57 2.92 0.00 -1.58 -2.24 103.07 106.27 1vre h GLY 27 Ca -0.51 -0.62 0.15 0.00 0.00 0.00 0.00 47.33 46.36 1vre h GLY 27 CO 0.02 0.54 0.54 0.07 0.00 0.00 0.00 176.54 177.71 1vre h LYS 28 N -0.37 0.50 0.00 4.80 2.10 -1.70 1.56 116.57 123.46 1vre h LYS 28 Ca -0.31 -0.03 -0.18 0.00 -2.00 0.00 0.00 60.65 58.13 1vre h LYS 28 Cb 1.71 -0.11 -0.03 0.00 -0.90 0.00 0.00 32.23 32.90 1vre h LYS 28 CO 0.03 0.33 -1.22 1.05 -2.00 0.00 0.00 179.45 177.63 1vre h GLU 29 N 0.51 0.00 0.00 0.07 4.11 -1.70 -3.28 114.58 114.30 1vre h GLU 29 Ca 0.41 0.00 -0.02 0.00 0.07 0.00 0.00 59.36 59.82 1vre h GLU 29 Cb 0.85 0.00 -0.00 0.00 0.50 0.00 0.00 28.75 30.10 1vre h GLU 29 CO -0.16 0.45 -0.32 0.00 0.07 0.00 0.00 179.01 179.05 1vre h PHE 31 N -1.00 0.25 -0.08 0.00 -1.00 0.19 0.27 116.94 115.58 1vre h PHE 31 Ca -0.03 0.01 0.00 0.00 2.81 0.00 0.00 57.97 60.76 1vre h PHE 31 Cb 0.41 -0.07 -0.00 0.00 3.61 0.00 0.00 35.95 39.89 1vre h PHE 31 CO -0.06 -0.00 0.05 1.79 -1.61 0.00 0.00 178.31 178.47 1vre h THR 32 N 0.13 1.04 0.21 -1.55 1.35 -1.68 0.58 112.91 112.98 1vre h THR 32 Ca 0.62 -0.10 -0.01 0.00 -0.55 0.00 0.00 66.41 66.37 1vre h THR 32 Cb 2.15 0.97 0.00 0.00 -1.73 0.00 0.00 68.15 69.55 1vre h THR 32 CO -0.14 0.04 -0.10 0.11 -0.25 0.00 0.00 175.52 175.18 1vre h LYS 33 N 0.08 -0.27 -0.10 4.72 1.57 -0.59 -0.16 116.57 121.83 1vre h LYS 33 Ca 0.03 0.02 0.04 0.00 -1.87 0.00 0.00 60.65 58.87 1vre h LYS 33 Cb 0.02 0.06 -0.06 0.00 0.08 0.00 0.00 32.23 32.33 1vre h LYS 33 CO -0.01 -0.09 -0.29 0.35 -0.57 0.00 0.00 179.45 178.85 1vre h PHE 34 N -0.39 -0.79 -0.72 -1.35 3.57 -1.25 0.87 116.94 116.88 1vre h PHE 34 Ca -0.03 0.03 0.08 0.00 3.53 0.00 0.00 57.97 61.58 1vre h PHE 34 Cb 0.30 0.36 -0.06 0.00 2.79 0.00 0.00 35.95 39.34 1vre h PHE 34 CO -0.03 -0.37 0.39 -0.07 -2.23 0.00 0.00 178.31 175.99 1vre h LEU 35 N -0.38 0.55 0.26 0.59 3.38 -0.79 0.75 115.31 119.67 1vre h LEU 35 Ca 0.09 0.04 -0.01 0.00 0.09 0.00 0.00 57.88 58.09 1vre h LEU 35 Cb 0.51 -0.06 0.00 0.00 0.09 0.00 0.00 40.66 41.21 1vre h LEU 35 CO -0.31 0.33 -0.13 -1.28 0.09 0.00 0.00 178.44 177.14 1vre h SER 36 N 0.68 -0.30 -0.54 -0.43 0.87 0.24 -3.10 113.55 110.97 1vre h SER 36 Ca 0.34 0.01 0.16 0.00 -1.23 0.00 0.00 61.79 61.06 1vre h SER 36 Cb 0.28 0.08 -0.02 0.00 -0.44 0.00 0.00 62.40 62.30 1vre h SER 36 CO -0.23 -0.11 0.48 0.00 -0.53 0.00 0.00 176.83 176.45 1vre h ALA 37 N -1.64 2.34 -3.68 6.23 0.00 0.77 -3.32 119.26 119.96 1vre h ALA 37 Ca -0.04 -0.02 -0.64 0.00 0.00 0.00 0.00 54.91 54.22 1vre h ALA 37 Cb 0.27 0.04 -0.38 0.00 0.00 0.00 0.00 17.79 17.72 1vre h ALA 37 CO 0.06 -0.76 -0.77 -1.01 0.00 0.00 0.00 179.25 176.76 1vre s HIS 38 N -4.75 2.94 -0.26 0.00 3.76 0.26 -4.95 115.29 112.29 1vre s HIS 38 Ca -0.05 -2.24 0.22 0.00 -0.15 0.00 0.00 55.06 52.84 1vre s HIS 38 Cb 0.17 -2.03 0.06 0.00 1.11 0.00 0.00 32.58 31.90 1vre s HIS 38 CO 0.62 -0.86 1.16 0.45 -0.85 0.00 0.00 174.74 175.27 1vre h HIS 39 N 7.82 0.00 0.00 1.40 -0.00 -1.67 -3.10 115.15 119.60 1vre h HIS 39 Ca -0.14 0.00 0.00 0.00 -0.00 0.00 0.00 60.37 60.23 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 0.52 0.08 0.00 0.38 -0.00 0.00 0.00 177.93 178.92 1vre h ASP 40 N 0.00 0.00 0.00 2.45 2.03 -1.92 -2.73 116.42 116.25 1vre h ASP 40 Ca -0.02 0.00 -0.12 0.00 -0.73 0.00 0.00 57.03 56.17 1vre h ASP 40 Cb 1.08 0.00 -0.02 0.00 -0.83 0.00 0.00 39.33 39.56 1vre h ASP 40 CO 0.01 0.00 -1.81 0.23 -1.03 0.00 0.00 179.24 176.63 1vre n MET 41 N -2.75 1.02 -0.25 4.15 2.81 -1.23 -4.33 117.12 116.54 1vre n MET 41 Ca -0.00 -0.08 0.05 0.00 -1.81 0.00 0.00 57.70 55.86 1vre n MET 41 Cb 0.19 -1.36 0.17 0.00 -0.71 0.00 0.00 33.22 31.51 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 1.07 0.91 0.00 3.04 0.00 -1.40 0.90 119.26 123.79 1vre h ALA 42 Ca -0.17 0.18 -0.02 0.00 0.00 0.00 0.00 54.91 54.90 1vre h ALA 42 Cb 1.22 0.26 -0.00 0.00 0.00 0.00 0.00 17.79 19.27 1vre h ALA 42 CO 0.01 -0.36 -0.08 0.00 0.00 0.00 0.00 179.25 178.83 1vre h ALA 43 N 1.62 0.99 0.01 0.00 0.00 -1.74 -2.46 119.26 117.68 1vre h ALA 43 Ca 0.41 -0.07 -0.25 0.00 0.00 0.00 0.00 54.91 55.00 1vre h ALA 43 Cb 0.70 -0.01 0.02 0.00 0.00 0.00 0.00 17.79 18.50 1vre h ALA 43 CO -0.53 0.10 -0.99 0.28 0.00 0.00 0.00 179.25 178.11 1vre h VAL 44 N 0.00 1.31 -0.45 0.00 2.07 0.47 -3.28 116.25 116.37 1vre h VAL 44 Ca -0.00 -2.24 -0.10 0.00 0.82 0.00 0.00 66.70 65.18 1vre h VAL 44 Cb 0.75 2.46 -0.01 0.00 -1.52 0.00 0.00 31.29 32.96 1vre h VAL 44 CO 0.01 0.69 -0.09 -0.26 0.02 0.00 0.00 177.57 177.93 1vre h PHE 45 N 0.29 0.96 0.00 1.57 -1.00 -0.55 -3.40 116.94 114.81 1vre h PHE 45 Ca -0.13 -0.20 0.00 0.00 2.81 0.00 0.00 57.97 60.45 1vre h PHE 45 Cb 1.65 -0.24 0.00 0.00 3.61 0.00 0.00 35.95 40.98 1vre h PHE 45 CO 0.11 0.95 0.00 0.41 -1.61 0.00 0.00 178.31 178.18 1vre n GLY 46 N -0.23 1.67 3.56 -1.45 0.00 -1.08 -5.01 105.19 102.65 1vre n GLY 46 Ca -0.00 0.00 -0.26 0.00 0.00 0.00 0.00 46.02 45.76 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 -1.95 2.05 -0.22 1.61 0.08 -0.95 -4.96 117.98 113.64 1vre s PHE 47 Ca 0.00 -0.95 0.16 0.00 0.12 0.00 0.00 56.93 56.26 1vre s PHE 47 Cb 0.00 -1.44 0.50 0.00 -0.57 0.00 0.00 43.02 41.52 1vre s PHE 47 CO 0.00 0.09 1.40 0.45 -0.10 0.00 0.00 175.22 177.06 1vre n SER 48 N -0.99 3.75 0.00 1.36 2.88 -1.26 -4.27 113.62 115.09 1vre n SER 48 Ca -0.07 -2.96 0.00 0.00 -1.33 0.00 0.00 58.87 54.51 1vre n SER 48 Cb 0.66 -0.52 0.00 0.00 -0.75 0.00 0.00 64.21 63.60 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 -0.50 -0.09 0.17 0.46 0.00 -1.26 -4.91 105.19 99.06 1vre n GLY 49 Ca 0.20 -1.55 0.06 0.00 0.00 0.00 0.00 46.02 44.74 1vre n GLY 49 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1vre h ALA 50 N 0.00 0.79 -0.24 4.61 0.00 -1.85 -3.33 119.26 119.23 1vre h ALA 50 Ca 0.00 -0.29 -0.37 0.00 0.00 0.00 0.00 54.91 54.25 1vre h ALA 50 Cb 0.00 -0.03 -0.11 0.00 0.00 0.00 0.00 17.79 17.65 1vre h ALA 50 CO 0.00 0.38 0.36 0.43 0.00 0.00 0.00 179.25 180.42 1vre n SER 51 N -3.14 6.12 -4.26 0.00 7.64 -1.26 -4.85 113.62 113.86 1vre n SER 51 Ca 0.02 -2.81 -0.31 0.00 1.01 0.00 0.00 58.87 56.79 1vre n SER 51 Cb 0.66 -1.35 -0.16 0.00 -1.01 0.00 0.00 64.21 62.34 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 1.28 2.99 0.29 6.43 2.15 -1.25 -4.98 116.67 123.58 1vre s ASP 52 Ca 0.63 -0.49 0.05 0.00 0.43 0.00 0.00 52.55 53.17 1vre s ASP 52 Cb 0.33 -0.73 0.44 0.00 -0.30 0.00 0.00 42.92 42.66 1vre s ASP 52 CO -0.10 0.25 1.71 1.55 -0.17 0.00 0.00 175.17 178.42 1vre h PRO 53 N 5.97 0.35 -0.89 4.34 0.13 -1.95 -2.72 132.00 137.23 1vre h PRO 53 Ca -0.34 -0.15 0.23 0.00 -0.87 0.00 0.00 66.00 64.88 1vre h PRO 53 Cb 1.17 -0.01 -0.05 0.00 0.13 0.00 0.00 31.00 32.23 1vre h PRO 53 CO 0.47 0.65 0.62 0.78 -0.23 0.00 0.00 178.00 180.29 1vre h GLY 54 N 1.10 0.43 0.40 1.56 0.00 -1.95 0.16 103.07 104.76 1vre h GLY 54 Ca 0.04 -0.09 0.12 0.00 0.00 0.00 0.00 47.33 47.40 1vre h GLY 54 CO 0.06 -0.01 0.52 -2.08 0.00 0.00 0.00 176.54 175.02 1vre h VAL 55 N 0.19 0.85 0.00 4.60 2.07 -1.86 0.56 116.25 122.66 1vre h VAL 55 Ca 0.45 -0.27 0.00 0.00 0.82 0.00 0.00 66.70 67.69 1vre h VAL 55 Cb 1.46 -0.02 0.00 0.00 -1.52 0.00 0.00 31.29 31.21 1vre h VAL 55 CO -0.09 0.15 0.00 0.00 0.02 0.00 0.00 177.57 177.64 1vre n ALA 56 N -2.38 1.96 -0.03 1.67 0.00 0.56 -2.30 120.51 119.99 1vre n ALA 56 Ca 0.17 -0.05 -0.13 0.00 0.00 0.00 0.00 53.44 53.43 1vre n ALA 56 Cb 0.36 -1.36 -0.14 0.00 0.00 0.00 0.00 19.45 18.31 1vre n ALA 56 CO 0.00 0.00 0.00 -3.47 0.00 0.00 0.00 177.50 174.03 1vre n ASP 57 N -1.66 1.19 -0.03 0.00 2.03 0.18 -3.50 116.55 114.76 1vre n ASP 57 Ca 0.05 0.29 -0.00 0.00 0.52 0.00 0.00 54.79 55.64 1vre n ASP 57 Cb 0.26 -0.19 -0.00 0.00 -0.72 0.00 0.00 41.12 40.47 1vre n ASP 57 CO 0.00 0.00 0.00 -0.07 -1.92 0.00 0.00 177.20 175.21 1vre h LEU 58 N 0.02 0.00 -2.38 -2.67 3.38 -0.97 -3.22 115.31 109.47 1vre h LEU 58 Ca -0.37 0.00 0.01 0.00 0.09 0.00 0.00 57.88 57.61 1vre h LEU 58 Cb 2.04 0.00 -0.00 0.00 0.09 0.00 0.00 40.66 42.79 1vre h LEU 58 CO 0.07 0.31 0.20 1.23 0.09 0.00 0.00 178.44 180.34 1vre h GLY 59 N -0.58 0.00 1.10 0.83 0.00 -1.70 0.25 103.07 102.98 1vre h GLY 59 Ca 0.00 0.00 -0.19 0.00 0.00 0.00 0.00 47.33 47.14 1vre h GLY 59 CO 0.00 0.00 -0.60 0.00 0.00 0.00 0.00 176.54 175.94 1vre h ALA 60 N 1.62 0.36 0.13 3.60 0.00 -1.66 -2.66 119.26 120.65 1vre h ALA 60 Ca 0.01 -0.53 -0.26 0.00 0.00 0.00 0.00 54.91 54.13 1vre h ALA 60 Cb 0.42 -0.05 0.00 0.00 0.00 0.00 0.00 17.79 18.17 1vre h ALA 60 CO -0.00 0.62 -1.29 0.87 0.00 0.00 0.00 179.25 179.44 1vre h LYS 61 N 0.53 0.27 -0.55 0.00 1.57 -1.11 -3.34 116.57 113.94 1vre h LYS 61 Ca -0.01 -0.46 0.10 0.00 -1.87 0.00 0.00 60.65 58.40 1vre h LYS 61 Cb 1.22 0.17 -0.08 0.00 0.08 0.00 0.00 32.23 33.63 1vre h LYS 61 CO 0.13 1.22 0.11 0.28 -0.57 0.00 0.00 179.45 180.62 1vre h VAL 62 N -0.29 0.67 -0.68 0.50 2.07 -1.13 -0.88 116.25 116.51 1vre h VAL 62 Ca -0.27 -0.08 0.15 0.00 0.82 0.00 0.00 66.70 67.32 1vre h VAL 62 Cb 1.76 0.41 -0.12 0.00 -1.52 0.00 0.00 31.29 31.82 1vre h VAL 62 CO 0.09 0.04 0.01 -0.07 0.02 0.00 0.00 177.57 177.66 1vre h LEU 63 N 0.24 -0.29 -0.55 2.57 -0.00 -1.60 0.36 115.31 116.03 1vre h LEU 63 Ca 0.28 0.17 0.11 0.00 -0.00 0.00 0.00 57.88 58.45 1vre h LEU 63 Cb 0.40 0.30 -0.10 0.00 -0.00 0.00 0.00 40.66 41.26 1vre h LEU 63 CO -0.37 -0.14 -0.08 0.00 -0.00 0.00 0.00 178.44 177.85 1vre h ALA 64 N 1.63 0.43 -0.32 1.53 0.00 -1.25 -0.96 119.26 120.32 1vre h ALA 64 Ca 0.37 0.20 0.07 0.00 0.00 0.00 0.00 54.91 55.54 1vre h ALA 64 Cb 0.62 0.37 -0.08 0.00 0.00 0.00 0.00 17.79 18.69 1vre h ALA 64 CO -0.59 -0.42 -0.34 0.37 0.00 0.00 0.00 179.25 178.27 1vre h GLN 65 N 0.04 -0.30 -0.89 0.00 -0.00 -0.84 0.50 115.11 113.62 1vre h GLN 65 Ca 0.27 0.02 0.19 0.00 -0.00 0.00 0.00 58.65 59.14 1vre h GLN 65 Cb 0.42 0.07 -0.07 0.00 0.00 0.00 0.00 27.48 27.90 1vre h GLN 65 CO -0.53 -0.20 0.59 0.82 0.00 0.00 0.00 178.83 179.51 1vre h ILE 66 N -0.31 0.70 0.59 2.39 2.04 -1.03 0.12 117.51 122.01 1vre h ILE 66 Ca 0.14 -0.15 -0.03 0.00 1.00 0.00 0.00 64.86 65.82 1vre h ILE 66 Cb 0.55 0.21 0.01 0.00 -0.74 0.00 0.00 36.82 36.85 1vre h ILE 66 CO -0.49 0.08 -0.28 1.23 0.00 0.00 0.00 178.15 178.69 1vre h GLY 67 N 0.45 -0.82 1.62 5.37 0.00 0.78 0.25 103.07 110.71 1vre h GLY 67 Ca 0.46 0.30 0.04 0.00 0.00 0.00 0.00 47.33 48.14 1vre h GLY 67 CO -0.18 -0.30 0.15 -2.08 0.00 0.00 0.00 176.54 174.13 1vre h VAL 68 N -0.98 0.52 0.00 4.60 2.07 0.05 0.27 116.25 122.79 1vre h VAL 68 Ca -0.08 0.00 0.00 0.00 0.82 0.00 0.00 66.70 67.44 1vre h VAL 68 Cb 0.66 0.88 0.00 0.00 -1.52 0.00 0.00 31.29 31.31 1vre h VAL 68 CO 0.13 0.00 -0.40 0.00 0.02 0.00 0.00 177.57 177.32 1vre h ALA 69 N 1.83 0.80 0.00 1.67 0.00 -0.26 -3.21 119.26 120.08 1vre h ALA 69 Ca 0.07 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.98 1vre h ALA 69 Cb 0.37 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.16 1vre h ALA 69 CO -0.00 0.00 0.00 0.28 0.00 0.00 0.00 179.25 179.53 1vre n VAL 70 N -2.87 0.68 -0.60 0.00 0.31 0.94 -3.24 118.33 113.57 1vre n VAL 70 Ca 0.03 -0.04 -0.16 0.00 -0.01 0.00 0.00 64.34 64.15 1vre n VAL 70 Cb 0.53 -0.84 0.06 0.00 -0.91 0.00 0.00 33.84 32.68 1vre n VAL 70 CO 0.00 0.00 0.00 -1.20 -1.32 0.00 0.00 176.83 174.31 1vre n SER 71 N -2.21 5.19 0.00 4.52 7.64 -1.17 -4.62 113.62 122.97 1vre n SER 71 Ca 0.04 -3.00 0.00 0.00 1.01 0.00 0.00 58.87 56.92 1vre n SER 71 Cb 0.34 -0.89 0.00 0.00 -1.01 0.00 0.00 64.21 62.65 1vre n SER 71 CO 0.00 0.00 0.00 1.41 -3.01 0.00 0.00 175.04 173.44 1vre n HIS 72 N -0.02 0.00 0.00 1.43 8.25 -1.20 -4.98 115.22 118.69 1vre n HIS 72 Ca 0.32 0.00 0.00 0.00 -0.26 0.00 0.00 57.72 57.78 1vre n HIS 72 Cb 0.81 0.00 0.00 0.00 1.12 0.00 0.00 29.99 31.92 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 -0.50 0.00 0.25 2.41 4.77 -1.23 -2.84 117.00 119.86 1vre n LEU 73 Ca 0.00 0.00 0.12 0.00 -0.03 0.00 0.00 56.01 56.10 1vre n LEU 73 Cb 0.00 0.00 0.63 0.00 -2.33 0.00 0.00 43.42 41.72 1vre n LEU 73 CO 0.00 0.00 0.91 1.23 -1.33 0.00 0.00 177.39 178.20 1vre h GLY 74 N 0.00 0.00 -5.09 -0.72 0.00 -1.95 -3.42 103.07 91.89 1vre h GLY 74 Ca 0.00 0.00 -0.63 0.00 0.00 0.00 0.00 47.33 46.70 1vre h GLY 74 CO 0.00 0.00 -0.47 -0.35 0.00 0.00 0.00 176.54 175.72 1vre s ASP 75 N -6.16 6.39 -0.38 0.19 2.15 -1.13 -5.04 116.67 112.70 1vre s ASP 75 Ca -0.02 0.38 0.11 0.00 0.43 0.00 0.00 52.55 53.45 1vre s ASP 75 Cb 0.12 -2.01 0.32 0.00 -0.30 0.00 0.00 42.92 41.05 1vre s ASP 75 CO 0.60 0.24 0.69 -0.62 -0.17 0.00 0.00 175.17 175.91 1vre n GLU 76 N 0.85 0.91 -0.00 4.34 1.02 -1.26 -4.80 120.64 121.70 1vre n GLU 76 Ca -0.10 -3.31 0.02 0.00 -0.02 0.00 0.00 57.16 53.76 1vre n GLU 76 Cb 0.52 -1.58 -0.04 0.00 -0.02 0.00 0.00 31.44 30.33 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 0.56 -0.12 0.12 0.62 0.00 -1.26 -4.81 105.19 100.30 1vre n GLY 77 Ca 0.24 -0.12 0.00 0.00 0.00 0.00 0.00 46.02 46.13 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 -1.59 0.00 -0.21 1.61 4.81 -1.26 -4.71 118.16 116.81 1vre n LYS 78 Ca -0.01 0.00 0.00 0.00 -0.87 0.00 0.00 58.31 57.44 1vre n LYS 78 Cb 0.12 -0.46 0.09 0.00 0.02 0.00 0.00 35.03 34.79 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 -1.89 0.88 114.93 119.66 1vre h MET 79 Ca 0.00 -0.00 0.00 0.00 -0.28 0.00 0.00 59.70 59.42 1vre h MET 79 Cb 0.00 -0.01 0.00 0.00 -0.80 0.00 0.00 31.60 30.79 1vre h MET 79 CO 0.00 0.03 0.00 0.28 0.23 0.00 0.00 176.91 177.45 1vre n VAL 80 N -5.36 0.75 0.03 -5.77 0.31 -1.26 -1.43 118.33 105.59 1vre n VAL 80 Ca 0.09 0.07 -0.07 0.00 -0.01 0.00 0.00 64.34 64.41 1vre n VAL 80 Cb 0.35 -0.98 0.10 0.00 -0.91 0.00 0.00 33.84 32.39 1vre n VAL 80 CO 0.00 0.00 0.00 0.00 -1.32 0.00 0.00 176.83 175.51 1vre h ALA 81 N 2.35 0.80 0.01 3.52 0.00 0.50 -1.94 119.26 124.50 1vre h ALA 81 Ca 0.00 -0.49 -0.39 0.00 0.00 0.00 0.00 54.91 54.02 1vre h ALA 81 Cb 0.48 -0.09 -0.06 0.00 0.00 0.00 0.00 17.79 18.12 1vre h ALA 81 CO 0.00 0.68 -2.42 -1.91 0.00 0.00 0.00 179.25 175.60 1vre n GLU 82 N -3.96 0.66 -0.09 0.00 2.13 -1.01 -3.99 120.64 114.37 1vre n GLU 82 Ca -0.03 0.18 -0.10 0.00 0.66 0.00 0.00 57.16 57.88 1vre n GLU 82 Cb 0.58 -1.54 -0.02 0.00 0.27 0.00 0.00 31.44 30.72 1vre n GLU 82 CO 0.00 0.00 0.00 0.52 -0.41 0.00 0.00 177.13 177.24 1vre h MET 83 N -0.09 0.43 -0.96 5.31 2.86 -1.36 -1.95 114.93 119.17 1vre h MET 83 Ca -0.57 -0.06 0.09 0.00 -2.06 0.00 0.00 59.70 57.10 1vre h MET 83 Cb 1.88 -0.08 -0.07 0.00 0.06 0.00 0.00 31.60 33.39 1vre h MET 83 CO -0.10 0.40 0.62 -0.22 1.06 0.00 0.00 176.91 178.66 1vre h LYS 84 N 0.36 1.00 -0.78 1.72 3.64 -1.38 -0.44 116.57 120.68 1vre h LYS 84 Ca 0.10 -0.06 -0.05 0.00 -1.27 0.00 0.00 60.65 59.38 1vre h LYS 84 Cb 0.10 -0.22 -0.03 0.00 -0.41 0.00 0.00 32.23 31.66 1vre h LYS 84 CO -0.01 0.66 0.31 0.00 -2.27 0.00 0.00 179.45 178.13 1vre h ALA 85 N 1.51 1.07 -0.53 5.00 0.00 -1.54 -2.67 119.26 122.11 1vre h ALA 85 Ca 0.44 -0.19 0.10 0.00 0.00 0.00 0.00 54.91 55.26 1vre h ALA 85 Cb 0.33 -0.31 -0.08 0.00 0.00 0.00 0.00 17.79 17.73 1vre h ALA 85 CO -0.20 0.66 0.05 0.28 0.00 0.00 0.00 179.25 180.04 1vre h VAL 86 N 1.13 0.63 -0.36 0.00 2.07 -0.35 -0.25 116.25 119.12 1vre h VAL 86 Ca 0.26 -0.06 0.07 0.00 0.82 0.00 0.00 66.70 67.79 1vre h VAL 86 Cb 0.22 0.45 -0.07 0.00 -1.52 0.00 0.00 31.29 30.36 1vre h VAL 86 CO -0.02 0.03 -0.08 1.23 0.02 0.00 0.00 177.57 178.75 1vre h GLY 87 N 0.17 0.27 0.48 2.17 0.00 -1.32 0.29 103.07 105.14 1vre h GLY 87 Ca 0.27 0.11 0.18 0.00 0.00 0.00 0.00 47.33 47.89 1vre h GLY 87 CO -0.40 -0.13 0.56 -2.08 0.00 0.00 0.00 176.54 174.48 1vre h VAL 88 N 0.01 0.74 -0.03 4.60 2.07 -1.00 -0.74 116.25 121.90 1vre h VAL 88 Ca 0.17 -0.15 -0.01 0.00 0.82 0.00 0.00 66.70 67.53 1vre h VAL 88 Cb 0.26 0.27 -0.00 0.00 -1.52 0.00 0.00 31.29 30.31 1vre h VAL 88 CO -0.36 0.08 -0.03 0.03 0.02 0.00 0.00 177.57 177.31 1vre h ARG 89 N 0.43 0.08 0.00 1.57 2.47 0.47 -2.58 114.38 116.81 1vre h ARG 89 Ca 0.43 -0.04 0.00 0.00 -1.26 0.00 0.00 59.98 59.11 1vre h ARG 89 Cb 1.01 0.00 0.00 0.00 -1.65 0.00 0.00 29.97 29.33 1vre h ARG 89 CO -0.15 0.53 0.00 0.45 0.56 0.00 0.00 179.97 181.36 1vre h HIS 90 N -0.38 0.00 -1.44 3.04 3.86 0.15 -2.98 115.15 117.40 1vre h HIS 90 Ca 0.01 0.00 0.44 0.00 -1.16 0.00 0.00 60.37 59.66 1vre h HIS 90 Cb 0.52 0.00 -0.10 0.00 1.06 0.00 0.00 27.41 28.89 1vre h HIS 90 CO 0.09 0.00 0.98 -0.22 0.86 0.00 0.00 177.93 179.64 1vre h LYS 91 N 0.00 0.07 0.00 2.45 3.64 -0.76 -3.24 116.57 118.73 1vre h LYS 91 Ca 0.00 -0.00 -0.22 0.00 -1.27 0.00 0.00 60.65 59.16 1vre h LYS 91 Cb 0.06 -0.02 -0.14 0.00 -0.41 0.00 0.00 32.23 31.72 1vre h LYS 91 CO 0.00 0.05 -0.37 0.41 -2.27 0.00 0.00 179.45 177.27 1vre n GLY 92 N -1.66 0.25 0.00 5.01 0.00 -1.13 -4.84 105.19 102.83 1vre n GLY 92 Ca 0.36 0.15 0.00 0.00 0.00 0.00 0.00 46.02 46.53 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 0.50 -1.99 0.31 1.61 4.02 -1.23 -4.66 117.16 115.72 1vre n TYR 93 Ca 0.05 0.00 0.18 0.00 -0.01 0.00 0.00 57.90 58.12 1vre n TYR 93 Cb 0.70 0.00 1.01 0.00 -0.02 0.00 0.00 39.34 41.03 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 -0.30 0.00 0.24 2.72 0.00 -1.95 -2.68 103.07 101.09 1vre h GLY 94 Ca 0.00 0.00 -0.35 0.00 0.00 0.00 0.00 47.33 46.98 1vre h GLY 94 CO 0.00 0.00 -1.99 -2.01 0.00 0.00 0.00 176.54 172.54 1vre n ASN 95 N -3.44 2.00 0.00 0.19 5.15 -1.26 -4.97 115.26 112.93 1vre n ASN 95 Ca -0.03 0.21 0.00 0.00 -0.60 0.00 0.00 54.58 54.17 1vre n ASN 95 Cb 0.11 -0.79 0.00 0.00 -0.53 0.00 0.00 39.78 38.57 1vre n ASN 95 CO 0.00 0.00 0.00 0.29 1.40 0.00 0.00 177.26 178.95 1vre n LYS 96 N -3.80 0.00 0.00 1.20 5.02 -1.01 -4.89 118.16 114.68 1vre n LYS 96 Ca -0.38 0.00 0.00 0.00 -2.02 0.00 0.00 58.31 55.91 1vre n LYS 96 Cb 0.92 -0.04 0.00 0.00 -0.02 0.00 0.00 35.03 35.89 1vre n LYS 96 CO 0.00 0.00 0.00 0.72 -0.52 0.00 0.00 177.40 177.60 1vre n HIS 97 N 0.00 0.00 -1.68 2.13 8.25 -1.26 -4.67 115.22 117.99 1vre n HIS 97 Ca 0.00 0.00 0.00 0.00 -0.26 0.00 0.00 57.72 57.46 1vre n HIS 97 Cb 0.00 0.00 0.00 0.00 1.12 0.00 0.00 29.99 31.11 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 -5.40 -3.82 1.59 5.41 -1.26 -4.99 119.36 110.89 1vre n ILE 98 Ca 0.00 2.39 -0.12 0.00 1.00 0.00 0.00 62.75 66.02 1vre n ILE 98 Cb 0.00 -3.24 -0.11 0.00 -0.71 0.00 0.00 39.64 35.57 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 -2.30 0.32 0.54 0.38 -0.14 -1.26 -5.01 119.74 112.28 1vre s LYS 99 Ca 0.00 0.05 0.34 0.00 -1.36 0.00 0.00 55.97 55.01 1vre s LYS 99 Cb 0.00 0.15 1.45 0.00 -1.68 0.00 0.00 37.83 37.75 1vre s LYS 99 CO 0.00 -0.06 2.01 0.00 -0.76 0.00 0.00 175.35 176.54 1vre h ALA 100 N 5.29 1.00 -0.19 5.17 0.00 -1.99 -1.98 119.26 126.56 1vre h ALA 100 Ca -0.27 0.00 -0.06 0.00 0.00 0.00 0.00 54.91 54.58 1vre h ALA 100 Cb 1.19 0.00 -0.01 0.00 0.00 0.00 0.00 17.79 18.97 1vre h ALA 100 CO 0.39 0.00 -0.14 0.93 0.00 0.00 0.00 179.25 180.43 1vre h GLU 101 N 0.00 0.32 0.00 0.00 3.07 -2.03 -2.19 114.58 113.74 1vre h GLU 101 Ca 0.00 -0.08 -0.12 0.00 -0.50 0.00 0.00 59.36 58.66 1vre h GLU 101 Cb 0.45 -0.04 -0.02 0.00 -0.84 0.00 0.00 28.75 28.30 1vre h GLU 101 CO 0.00 0.46 -0.67 1.88 -1.40 0.00 0.00 179.01 179.28 1vre h TYR 102 N 0.30 0.00 0.15 4.33 0.05 -1.78 -3.35 116.97 116.66 1vre h TYR 102 Ca 0.06 0.00 -0.00 0.00 0.05 0.00 0.00 58.73 58.84 1vre h TYR 102 Cb 0.43 0.00 -0.01 0.00 1.01 0.00 0.00 36.73 38.15 1vre h TYR 102 CO 0.01 0.56 -0.22 0.74 -1.05 0.00 0.00 178.16 178.21 1vre h PHE 103 N 0.00 -0.61 -0.36 4.88 -1.00 -1.27 -0.54 116.94 118.05 1vre h PHE 103 Ca -0.02 0.01 0.05 0.00 2.81 0.00 0.00 57.97 60.81 1vre h PHE 103 Cb 1.45 0.25 -0.08 0.00 3.61 0.00 0.00 35.95 41.17 1vre h PHE 103 CO 0.00 -0.27 -0.54 0.93 -1.61 0.00 0.00 178.31 176.83 1vre h GLU 104 N -0.38 -0.41 -0.59 1.51 5.08 -1.72 -0.28 114.58 117.80 1vre h GLU 104 Ca -0.02 0.03 0.10 0.00 -1.00 0.00 0.00 59.36 58.47 1vre h GLU 104 Cb 0.35 0.09 -0.11 0.00 0.50 0.00 0.00 28.75 29.58 1vre h GLU 104 CO -0.06 -0.27 -0.37 -1.35 -1.00 0.00 0.00 179.01 175.95 1vre h PRO 105 N -0.42 -0.18 -0.96 2.33 0.11 -1.67 0.40 132.00 131.61 1vre h PRO 105 Ca 0.08 0.01 0.11 0.00 0.11 0.00 0.00 66.00 66.31 1vre h PRO 105 Cb 0.61 0.04 -0.07 0.00 0.11 0.00 0.00 31.00 31.69 1vre h PRO 105 CO -0.57 -0.12 0.61 1.25 -0.21 0.00 0.00 178.00 178.97 1vre h LEU 106 N -0.19 0.88 -0.71 2.35 7.12 -0.10 -0.55 115.31 124.12 1vre h LEU 106 Ca 0.21 0.03 -0.06 0.00 0.13 0.00 0.00 57.88 58.19 1vre h LEU 106 Cb 0.56 -0.15 -0.03 0.00 -0.53 0.00 0.00 40.66 40.51 1vre h LEU 106 CO -0.69 0.50 0.19 1.23 -0.13 0.00 0.00 178.44 179.55 1vre h GLY 107 N 0.96 1.21 0.85 3.75 0.00 0.14 -0.55 103.07 109.42 1vre h GLY 107 Ca 0.46 -0.74 -0.02 0.00 0.00 0.00 0.00 47.33 47.03 1vre h GLY 107 CO -0.22 0.69 -0.21 0.00 0.00 0.00 0.00 176.54 176.80 1vre h ALA 108 N 1.09 -0.58 0.00 3.60 0.00 0.61 -1.67 119.26 122.32 1vre h ALA 108 Ca 0.23 -0.17 -0.00 0.00 0.00 0.00 0.00 54.91 54.97 1vre h ALA 108 Cb 0.34 0.22 -0.00 0.00 0.00 0.00 0.00 17.79 18.36 1vre h ALA 108 CO -0.00 -0.74 -0.01 1.03 0.00 0.00 0.00 179.25 179.53 1vre h SER 109 N -0.74 0.00 -0.26 0.00 0.87 -1.26 -1.56 113.55 110.60 1vre h SER 109 Ca -0.06 0.00 -0.16 0.00 -1.23 0.00 0.00 61.79 60.34 1vre h SER 109 Cb 0.53 0.00 -0.00 0.00 -0.44 0.00 0.00 62.40 62.48 1vre h SER 109 CO 0.10 0.01 -0.46 0.25 -0.53 0.00 0.00 176.83 176.20 1vre h LEU 110 N 0.00 0.90 -2.05 2.23 6.46 -0.66 -2.77 115.31 119.42 1vre h LEU 110 Ca -0.00 -0.44 -0.00 0.00 -0.12 0.00 0.00 57.88 57.32 1vre h LEU 110 Cb 0.01 -0.25 -0.00 0.00 -0.73 0.00 0.00 40.66 39.69 1vre h LEU 110 CO 0.00 1.21 -0.00 -0.07 -0.62 0.00 0.00 178.44 178.96 1vre h LEU 111 N 0.66 0.00 -0.66 2.25 3.38 -0.35 -0.34 115.31 120.25 1vre h LEU 111 Ca 0.04 0.00 -0.14 0.00 0.09 0.00 0.00 57.88 57.87 1vre h LEU 111 Cb 1.04 0.00 -0.02 0.00 0.09 0.00 0.00 40.66 41.77 1vre h LEU 111 CO 0.10 0.00 -0.65 0.28 0.09 0.00 0.00 178.44 178.26 1vre h SER 112 N 0.00 0.00 0.37 -0.43 0.02 -1.41 -3.20 113.55 108.90 1vre h SER 112 Ca -0.00 0.00 -0.32 0.00 -0.84 0.00 0.00 61.79 60.63 1vre h SER 112 Cb 0.01 0.00 0.02 0.00 0.14 0.00 0.00 62.40 62.57 1vre h SER 112 CO 0.00 0.65 -1.44 0.00 -1.14 0.00 0.00 176.83 174.90 1vre h ALA 113 N 1.35 -0.04 -1.00 3.77 0.00 -1.01 -3.28 119.26 119.03 1vre h ALA 113 Ca -0.01 -0.90 0.22 0.00 0.00 0.00 0.00 54.91 54.21 1vre h ALA 113 Cb 1.18 0.16 -0.11 0.00 0.00 0.00 0.00 17.79 19.02 1vre h ALA 113 CO 0.09 0.82 0.61 0.52 0.00 0.00 0.00 179.25 181.29 1vre h MET 114 N 0.12 0.65 -0.39 0.00 2.07 -1.19 0.79 114.93 116.97 1vre h MET 114 Ca -0.23 -0.04 0.11 0.00 -2.07 0.00 0.00 59.70 57.48 1vre h MET 114 Cb 2.11 -0.15 -0.02 0.00 -1.87 0.00 0.00 31.60 31.67 1vre h MET 114 CO 0.24 0.43 0.50 1.49 1.07 0.00 0.00 176.91 180.65 1vre h GLU 115 N 0.67 0.00 -0.24 1.72 4.81 -1.62 -0.67 114.58 119.25 1vre h GLU 115 Ca 0.60 0.00 0.05 0.00 -0.13 0.00 0.00 59.36 59.88 1vre h GLU 115 Cb 1.06 0.00 -0.04 0.00 0.63 0.00 0.00 28.75 30.40 1vre h GLU 115 CO -0.41 0.00 -0.03 0.45 -0.73 0.00 0.00 179.01 178.29 1vre h HIS 116 N 0.00 -0.07 0.23 0.92 3.86 0.42 0.86 115.15 121.37 1vre h HIS 116 Ca 0.19 0.02 -0.01 0.00 -1.16 0.00 0.00 60.37 59.41 1vre h HIS 116 Cb 1.19 0.07 0.00 0.00 1.06 0.00 0.00 27.41 29.73 1vre h HIS 116 CO 0.00 -0.07 -0.11 -0.09 0.86 0.00 0.00 177.93 178.51 1vre h ARG 117 N 0.04 -0.30 -1.85 2.45 2.43 -1.27 -3.26 114.38 112.61 1vre h ARG 117 Ca 0.12 0.02 -0.37 0.00 -0.81 0.00 0.00 59.98 58.94 1vre h ARG 117 Cb 0.16 0.07 -0.14 0.00 -0.42 0.00 0.00 29.97 29.65 1vre h ARG 117 CO -0.22 -0.20 0.25 0.44 -1.51 0.00 0.00 179.97 178.73 1vre n ILE 118 N -3.49 3.03 -1.68 1.20 -5.35 -1.18 -4.95 119.36 106.94 1vre n ILE 118 Ca -0.04 -2.20 -0.47 0.00 -0.27 0.00 0.00 62.75 59.78 1vre n ILE 118 Cb 0.12 -1.58 -0.04 0.00 -1.74 0.00 0.00 39.64 36.40 1vre n ILE 118 CO 0.00 0.00 0.00 0.61 -1.76 0.00 0.00 176.55 175.40 1vre n GLY 119 N 1.01 1.31 0.86 3.28 0.00 0.30 -0.09 105.19 111.86 1vre n GLY 119 Ca 0.39 0.75 0.00 0.00 0.00 0.00 0.00 46.02 47.16 1vre n GLY 119 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1vre n GLY 120 N 3.91 2.88 0.08 -0.02 0.00 -1.26 -4.75 105.19 106.03 1vre n GLY 120 Ca 0.20 -0.03 -0.06 0.00 0.00 0.00 0.00 46.02 46.13 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 0.00 0.63 -2.16 1.61 4.76 0.87 -4.76 118.16 119.11 1vre n LYS 121 Ca 0.00 0.28 -0.42 0.00 -2.87 0.00 0.00 58.31 55.30 1vre n LYS 121 Cb 0.00 -1.80 -0.03 0.00 -1.84 0.00 0.00 35.03 31.36 1vre n LYS 121 CO 0.00 0.00 0.00 1.41 -1.37 0.00 0.00 177.40 177.44 1vre s MET 122 N -2.70 3.26 0.00 1.97 1.75 -0.43 -4.95 119.30 118.20 1vre s MET 122 Ca -0.04 1.01 0.00 0.00 -1.25 0.00 0.00 55.69 55.41 1vre s MET 122 Cb 0.08 -4.18 0.00 0.00 2.84 0.00 0.00 34.83 33.57 1vre s MET 122 CO 0.82 -1.95 0.00 0.27 -0.65 0.00 0.00 175.02 173.51 1vre n ASN 123 N 10.26 0.97 -0.08 1.11 0.23 -1.26 -4.88 115.26 121.61 1vre n ASN 123 Ca 0.19 -0.21 -0.12 0.00 -0.53 0.00 0.00 54.58 53.91 1vre n ASN 123 Cb 0.48 0.00 -0.05 0.00 -2.08 0.00 0.00 39.78 38.13 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 0.13 0.31 -0.10 -2.53 0.00 -1.98 -0.78 119.26 114.32 1vre h ALA 124 Ca 0.00 -0.26 0.03 0.00 0.00 0.00 0.00 54.91 54.67 1vre h ALA 124 Cb 0.00 -0.08 -0.00 0.00 0.00 0.00 0.00 17.79 17.71 1vre h ALA 124 CO 0.00 0.11 0.14 0.00 0.00 0.00 0.00 179.25 179.50 1vre h ALA 125 N 0.74 1.57 0.00 0.00 0.00 -1.97 0.78 119.26 120.39 1vre h ALA 125 Ca 0.06 -0.00 -0.04 0.00 0.00 0.00 0.00 54.91 54.92 1vre h ALA 125 Cb 0.52 0.01 -0.01 0.00 0.00 0.00 0.00 17.79 18.31 1vre h ALA 125 CO 0.02 -0.19 -0.45 0.00 0.00 0.00 0.00 179.25 178.63 1vre h ALA 126 N 1.81 0.05 0.00 0.00 0.00 -1.77 -2.26 119.26 117.09 1vre h ALA 126 Ca 0.05 -0.50 -0.05 0.00 0.00 0.00 0.00 54.91 54.41 1vre h ALA 126 Cb 0.33 0.36 -0.01 0.00 0.00 0.00 0.00 17.79 18.47 1vre h ALA 126 CO -0.00 0.35 -0.22 1.57 0.00 0.00 0.00 179.25 180.95 1vre h LYS 127 N -1.00 0.00 0.00 0.00 2.10 -0.92 -0.74 116.57 116.02 1vre h LYS 127 Ca -0.07 0.00 -0.01 0.00 -2.00 0.00 0.00 60.65 58.57 1vre h LYS 127 Cb 0.57 0.00 -0.00 0.00 -0.90 0.00 0.00 32.23 31.90 1vre h LYS 127 CO -0.04 0.22 -0.08 0.22 -2.00 0.00 0.00 179.45 177.77 1vre h ASP 128 N 0.00 0.00 -0.07 7.07 3.58 0.44 -1.97 116.42 125.47 1vre h ASP 128 Ca -0.00 -0.97 0.02 0.00 0.42 0.00 0.00 57.03 56.50 1vre h ASP 128 Cb 0.46 -0.00 -0.02 0.00 1.72 0.00 0.00 39.33 41.49 1vre h ASP 128 CO 0.03 1.03 -0.05 0.00 -2.88 0.00 0.00 179.24 177.37 1vre h ALA 129 N -0.03 0.01 -0.07 -0.78 0.00 -1.30 0.18 119.26 117.27 1vre h ALA 129 Ca -0.02 0.03 -0.04 0.00 0.00 0.00 0.00 54.91 54.88 1vre h ALA 129 Cb 1.02 0.11 -0.01 0.00 0.00 0.00 0.00 17.79 18.92 1vre h ALA 129 CO -0.01 -0.52 -0.15 -1.49 0.00 0.00 0.00 179.25 177.08 1vre h TRP 130 N -0.06 0.12 -0.00 0.00 4.06 -1.26 0.34 115.95 119.14 1vre h TRP 130 Ca 0.05 -0.01 -0.11 0.00 2.06 0.00 0.00 58.89 60.88 1vre h TRP 130 Cb 0.13 -0.03 -0.01 0.00 -1.00 0.00 0.00 29.16 28.24 1vre h TRP 130 CO -0.16 0.27 -0.50 0.00 -3.56 0.00 0.00 178.44 174.49 1vre h ALA 131 N 1.74 1.17 0.00 1.49 0.00 -0.36 0.41 119.26 123.71 1vre h ALA 131 Ca 0.02 -0.45 -0.22 0.00 0.00 0.00 0.00 54.91 54.25 1vre h ALA 131 Cb 0.34 -0.08 -0.04 0.00 0.00 0.00 0.00 17.79 18.01 1vre h ALA 131 CO 0.02 0.62 -1.34 0.00 0.00 0.00 0.00 179.25 178.56 1vre h ALA 132 N 1.49 0.63 0.22 0.00 0.00 0.64 -3.35 119.26 118.90 1vre h ALA 132 Ca -0.00 -1.08 -0.32 0.00 0.00 0.00 0.00 54.91 53.50 1vre h ALA 132 Cb 0.88 0.22 0.03 0.00 0.00 0.00 0.00 17.79 18.92 1vre h ALA 132 CO 0.07 1.25 -1.47 0.00 0.00 0.00 0.00 179.25 179.10 1vre h ALA 133 N 1.15 -0.05 -0.98 0.00 0.00 -0.17 -3.27 119.26 115.94 1vre h ALA 133 Ca -0.16 -0.93 0.27 0.00 0.00 0.00 0.00 54.91 54.09 1vre h ALA 133 Cb 1.79 0.26 -0.05 0.00 0.00 0.00 0.00 17.79 19.79 1vre h ALA 133 CO 0.08 0.75 0.68 1.88 0.00 0.00 0.00 179.25 182.64 1vre h TYR 134 N 0.04 0.21 -0.17 0.00 -1.99 -0.32 0.75 116.97 115.50 1vre h TYR 134 Ca -0.27 0.01 -0.14 0.00 2.00 0.00 0.00 58.73 60.33 1vre h TYR 134 Cb 2.07 -0.06 -0.01 0.00 2.00 0.00 0.00 36.73 40.72 1vre h TYR 134 CO 0.13 0.04 -0.49 0.00 -0.00 0.00 0.00 178.16 177.83 1vre h ALA 135 N 1.55 0.84 0.15 3.88 0.00 -1.68 -0.56 119.26 123.43 1vre h ALA 135 Ca 0.49 -0.48 -0.31 0.00 0.00 0.00 0.00 54.91 54.62 1vre h ALA 135 Cb 1.69 -0.09 0.03 0.00 0.00 0.00 0.00 17.79 19.42 1vre h ALA 135 CO -0.09 0.67 -1.29 0.22 0.00 0.00 0.00 179.25 178.76 1vre h ASP 136 N 0.35 0.86 0.58 0.00 3.58 0.25 -0.26 116.42 121.78 1vre h ASP 136 Ca 0.02 -0.82 -0.03 0.00 0.42 0.00 0.00 57.03 56.62 1vre h ASP 136 Cb 0.99 -0.27 0.01 0.00 1.72 0.00 0.00 39.33 41.77 1vre h ASP 136 CO 0.09 1.62 -0.28 0.40 -2.88 0.00 0.00 179.24 178.19 1vre h ILE 137 N 0.25 0.23 0.00 2.25 2.04 -0.58 -2.53 117.51 119.17 1vre h ILE 137 Ca -0.20 -0.38 0.00 0.00 1.00 0.00 0.00 64.86 65.28 1vre h ILE 137 Cb 1.97 0.33 0.00 0.00 -0.74 0.00 0.00 36.82 38.37 1vre h ILE 137 CO 0.24 0.03 0.00 0.77 0.00 0.00 0.00 178.15 179.20 1vre h SER 138 N -1.08 0.00 0.33 1.72 4.64 -1.23 -3.10 113.55 114.84 1vre h SER 138 Ca -0.08 0.00 -0.02 0.00 -0.47 0.00 0.00 61.79 61.22 1vre h SER 138 Cb 0.65 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.74 1vre h SER 138 CO 0.13 0.00 -0.16 1.23 -0.87 0.00 0.00 176.83 177.16 1vre h GLY 139 N 1.72 -0.47 0.04 -0.77 0.00 -0.79 -2.81 103.07 100.00 1vre h GLY 139 Ca 0.00 0.17 0.26 0.00 0.00 0.00 0.00 47.33 47.76 1vre h GLY 139 CO 0.00 -0.17 0.73 0.00 0.00 0.00 0.00 176.54 177.10 1vre h ALA 140 N -0.42 2.75 0.00 3.60 0.00 -1.37 1.40 119.26 125.22 1vre h ALA 140 Ca -0.05 -0.03 -0.02 0.00 0.00 0.00 0.00 54.91 54.81 1vre h ALA 140 Cb 0.53 0.07 -0.00 0.00 0.00 0.00 0.00 17.79 18.38 1vre h ALA 140 CO 0.08 -1.19 -0.12 1.25 0.00 0.00 0.00 179.25 179.27 1vre h LEU 141 N 0.00 0.00 -0.49 0.00 6.46 -1.57 -2.80 115.31 116.91 1vre h LEU 141 Ca 0.42 0.00 0.00 0.00 -0.12 0.00 0.00 57.88 58.18 1vre h LEU 141 Cb 1.88 0.00 0.00 0.00 -0.73 0.00 0.00 40.66 41.81 1vre h LEU 141 CO -0.00 0.12 0.00 -0.38 -0.62 0.00 0.00 178.44 177.55 1vre n ILE 142 N -3.18 0.16 -0.14 4.05 5.41 0.48 -3.48 119.36 122.66 1vre n ILE 142 Ca 0.02 -0.17 -0.25 0.00 1.00 0.00 0.00 62.75 63.34 1vre n ILE 142 Cb 0.46 0.06 -0.11 0.00 -0.71 0.00 0.00 39.64 39.34 1vre n ILE 142 CO 0.00 0.00 0.00 -1.20 0.00 0.00 0.00 176.55 175.35 1vre n SER 143 N -0.16 1.97 0.12 4.38 7.64 -1.06 -4.41 113.62 122.09 1vre n SER 143 Ca 0.08 0.15 -0.01 0.00 1.01 0.00 0.00 58.87 60.10 1vre n SER 143 Cb 0.13 -0.65 0.25 0.00 -1.01 0.00 0.00 64.21 62.94 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 0.20 0.17 0.00 0.23 0.00 -1.65 -3.43 103.07 98.59 1vre h GLY 144 Ca -0.65 -0.16 0.00 0.00 0.00 0.00 0.00 47.33 46.52 1vre h GLY 144 CO -0.29 0.14 0.00 -0.10 0.00 0.00 0.00 176.54 176.29 1vre n LEU 145 N -4.02 0.00 -3.87 3.11 7.94 -1.21 -3.09 117.00 115.85 1vre n LEU 145 Ca -0.02 0.00 -0.28 0.00 -1.11 0.00 0.00 56.01 54.61 1vre n LEU 145 Cb 0.47 0.00 0.02 0.00 0.53 0.00 0.00 43.42 44.44 1vre n LEU 145 CO 0.41 0.00 0.04 0.00 -1.11 0.00 0.00 177.39 176.73 1vre n GLN 146 N 0.00 -5.15 0.00 1.96 3.00 -1.26 -4.76 117.38 111.16 1vre n GLN 146 Ca 0.00 0.58 0.00 0.00 -0.01 0.00 0.00 57.00 57.57 1vre n GLN 146 Cb 0.00 -5.34 0.00 0.00 0.00 0.00 0.00 30.24 24.90 1vre n GLN 146 CO 0.00 0.00 0.00 0.43 0.00 0.00 0.00 177.06 177.49