#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 0.00 0.00 0.99 4.77 -1.26 -4.94 117.00 116.55 1vre n LEU 2 Ca 0.00 0.79 0.00 0.00 -0.03 0.00 0.00 56.01 56.77 1vre n LEU 2 Cb 0.00 -2.39 0.00 0.00 -2.33 0.00 0.00 43.42 38.70 1vre n LEU 2 CO 0.00 -1.63 0.00 -1.54 -1.33 0.00 0.00 177.39 172.89 1vre n SER 3 N -4.20 0.61 0.18 -1.43 3.41 -1.26 -4.99 113.62 105.95 1vre n SER 3 Ca 0.01 -0.86 0.08 0.00 -0.26 0.00 0.00 58.87 57.84 1vre n SER 3 Cb 0.34 0.00 0.10 0.00 -0.26 0.00 0.00 64.21 64.38 1vre n SER 3 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 1vre h ALA 4 N 1.00 0.84 0.04 7.33 0.00 -2.00 -2.86 119.26 123.61 1vre h ALA 4 Ca 0.00 -0.21 -0.34 0.00 0.00 0.00 0.00 54.91 54.36 1vre h ALA 4 Cb 0.00 -0.03 -0.05 0.00 0.00 0.00 0.00 17.79 17.72 1vre h ALA 4 CO 0.00 0.28 -2.03 0.00 0.00 0.00 0.00 179.25 177.51 1vre n ALA 5 N -2.16 1.31 -0.04 0.00 0.00 -1.26 -3.90 120.51 114.46 1vre n ALA 5 Ca 0.03 -0.87 -0.13 0.00 0.00 0.00 0.00 53.44 52.47 1vre n ALA 5 Cb 0.62 -0.58 -0.08 0.00 0.00 0.00 0.00 19.45 19.42 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 0.02 0.27 -0.42 0.00 4.20 -1.94 -0.88 115.11 116.36 1vre h GLN 6 Ca -0.42 -0.15 0.12 0.00 0.06 0.00 0.00 58.65 58.27 1vre h GLN 6 Cb 2.05 0.01 -0.02 0.00 0.30 0.00 0.00 27.48 29.82 1vre h GLN 6 CO 0.05 0.70 0.31 0.07 -0.67 0.00 0.00 178.83 179.29 1vre h ARG 7 N -0.15 0.00 0.20 1.46 -0.00 -1.70 0.77 114.38 114.96 1vre h ARG 7 Ca 0.01 0.00 -0.31 0.00 -0.00 0.00 0.00 59.98 59.68 1vre h ARG 7 Cb 0.66 0.00 0.02 0.00 -0.00 0.00 0.00 29.97 30.65 1vre h ARG 7 CO 0.03 0.00 -1.41 0.37 -0.00 0.00 0.00 179.97 178.96 1vre h GLN 8 N 0.00 0.42 -0.05 0.08 5.75 -1.62 -2.54 115.11 117.15 1vre h GLN 8 Ca 0.20 -0.71 -0.15 0.00 -0.15 0.00 0.00 58.65 57.84 1vre h GLN 8 Cb 0.82 0.27 -0.01 0.00 1.07 0.00 0.00 27.48 29.63 1vre h GLN 8 CO -0.00 1.34 -0.64 0.28 -2.65 0.00 0.00 178.83 177.16 1vre h VAL 9 N 0.11 1.41 -0.23 2.39 2.07 0.52 -1.88 116.25 120.65 1vre h VAL 9 Ca -0.21 -2.08 -0.17 0.00 0.82 0.00 0.00 66.70 65.05 1vre h VAL 9 Cb 2.09 2.08 -0.00 0.00 -1.52 0.00 0.00 31.29 33.93 1vre h VAL 9 CO 0.24 0.61 -0.55 0.58 0.02 0.00 0.00 177.57 178.46 1vre h VAL 10 N 0.14 1.30 0.00 2.57 2.07 0.39 -2.13 116.25 120.58 1vre h VAL 10 Ca -0.01 -1.78 0.00 0.00 0.82 0.00 0.00 66.70 65.73 1vre h VAL 10 Cb 1.15 1.71 0.00 0.00 -1.52 0.00 0.00 31.29 32.63 1vre h VAL 10 CO 0.10 0.56 0.00 0.00 0.02 0.00 0.00 177.57 178.25 1vre n ALA 11 N -2.54 2.21 0.03 1.67 0.00 -0.96 -2.67 120.51 118.25 1vre n ALA 11 Ca -0.04 -0.04 0.03 0.00 0.00 0.00 0.00 53.44 53.39 1vre n ALA 11 Cb 0.62 -1.45 -0.08 0.00 0.00 0.00 0.00 19.45 18.53 1vre n ALA 11 CO 0.00 0.00 0.00 0.45 0.00 0.00 0.00 177.50 177.95 1vre n SER 12 N -1.98 0.68 0.07 0.00 2.88 -0.72 -3.83 113.62 110.72 1vre n SER 12 Ca 0.06 0.29 0.12 0.00 -1.33 0.00 0.00 58.87 58.00 1vre n SER 12 Cb 0.37 0.52 0.03 0.00 -0.75 0.00 0.00 64.21 64.38 1vre n SER 12 CO 0.00 0.00 0.00 0.35 -1.23 0.00 0.00 175.04 174.16 1vre n THR 13 N -2.76 0.42 0.22 2.46 -2.24 -0.83 -3.87 114.28 107.69 1vre n THR 13 Ca -0.09 -0.42 0.12 0.00 -2.27 0.00 0.00 64.05 61.39 1vre n THR 13 Cb 0.78 -0.15 0.12 0.00 -2.10 0.00 0.00 70.33 68.97 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 -0.03 4.78 7.01 -1.65 -2.97 115.95 123.09 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 0.89 0.00 0.00 0.00 -2.10 0.00 0.00 29.16 27.95 1vre h TRP 14 CO 0.00 0.00 0.00 1.63 -2.79 0.00 0.00 178.44 177.28 1vre n LYS 15 N -2.83 1.24 0.01 2.65 5.02 -1.25 -2.68 118.16 120.32 1vre n LYS 15 Ca 0.03 -0.36 -0.02 0.00 -2.02 0.00 0.00 58.31 55.94 1vre n LYS 15 Cb 0.53 -1.42 -0.01 0.00 -0.02 0.00 0.00 35.03 34.11 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 -0.51 0.67 0.07 4.39 8.00 -1.21 -4.34 116.55 123.62 1vre n ASP 16 Ca 0.19 0.09 -0.01 0.00 0.71 0.00 0.00 54.79 55.77 1vre n ASP 16 Cb 0.18 -0.22 0.28 0.00 -0.02 0.00 0.00 41.12 41.34 1vre n ASP 16 CO 0.00 0.00 0.00 0.40 -0.39 0.00 0.00 177.20 177.21 1vre h ILE 17 N -0.10 1.24 -0.90 0.53 2.04 -1.69 -2.60 117.51 116.05 1vre h ILE 17 Ca -0.04 -1.14 -0.52 0.00 1.00 0.00 0.00 64.86 64.17 1vre h ILE 17 Cb 0.61 1.37 -0.28 0.00 -0.74 0.00 0.00 36.82 37.77 1vre h ILE 17 CO -0.02 0.35 0.55 0.00 0.00 0.00 0.00 178.15 179.03 1vre n ALA 18 N -2.48 5.60 -1.00 1.87 0.00 -1.09 -4.00 120.51 119.41 1vre n ALA 18 Ca -0.01 -3.13 0.00 0.00 0.00 0.00 0.00 53.44 50.30 1vre n ALA 18 Cb 0.37 -1.39 0.00 0.00 0.00 0.00 0.00 19.45 18.43 1vre n ALA 18 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1vre n GLY 19 N -1.07 -1.67 0.02 0.00 0.00 -0.98 -2.86 105.19 98.63 1vre n GLY 19 Ca 0.56 0.09 0.08 0.00 0.00 0.00 0.00 46.02 46.75 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 -0.16 0.25 0.15 1.61 3.41 -1.26 -4.26 113.62 113.36 1vre n SER 20 Ca 0.00 0.00 0.06 0.00 -0.26 0.00 0.00 58.87 58.67 1vre n SER 20 Cb 0.00 1.81 0.06 0.00 -0.26 0.00 0.00 64.21 65.82 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 -3.15 4.04 2.03 -1.84 -3.47 116.42 114.02 1vre h ASP 21 Ca -0.08 0.00 -0.36 0.00 -0.73 0.00 0.00 57.03 55.87 1vre h ASP 21 Cb 1.13 0.00 -0.03 0.00 -0.83 0.00 0.00 39.33 39.60 1vre h ASP 21 CO 0.00 0.32 -0.45 -3.20 -1.03 0.00 0.00 179.24 174.88 1vre n ASN 22 N -3.12 -5.21 -0.20 4.15 5.15 -1.13 -1.91 115.26 112.99 1vre n ASN 22 Ca 0.01 0.08 0.00 0.00 -0.60 0.00 0.00 54.58 54.07 1vre n ASN 22 Cb 0.67 -4.38 0.00 0.00 -0.53 0.00 0.00 39.78 35.54 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 -0.91 1.02 0.06 8.20 0.00 -1.26 -3.87 105.19 108.43 1vre n GLY 23 Ca -0.21 -0.33 -0.03 0.00 0.00 0.00 0.00 46.02 45.45 1vre n GLY 23 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1vre h ALA 24 N 0.00 0.00 0.00 4.61 0.00 -1.62 -3.23 119.26 119.02 1vre h ALA 24 Ca 0.00 -0.13 -0.03 0.00 0.00 0.00 0.00 54.91 54.75 1vre h ALA 24 Cb 0.47 0.04 -0.00 0.00 0.00 0.00 0.00 17.79 18.30 1vre h ALA 24 CO 0.00 0.04 -0.15 0.78 0.00 0.00 0.00 179.25 179.93 1vre h GLY 25 N -1.00 0.00 2.00 0.00 0.00 -1.94 -2.87 103.07 99.26 1vre h GLY 25 Ca -0.01 0.00 -0.06 0.00 0.00 0.00 0.00 47.33 47.27 1vre h GLY 25 CO -0.00 0.00 -0.28 -2.08 0.00 0.00 0.00 176.54 174.18 1vre h VAL 26 N 0.00 1.12 0.00 4.60 2.07 -1.92 -2.32 116.25 119.80 1vre h VAL 26 Ca -0.00 -0.98 -0.00 0.00 0.82 0.00 0.00 66.70 66.54 1vre h VAL 26 Cb 0.77 1.54 -0.00 0.00 -1.52 0.00 0.00 31.29 32.08 1vre h VAL 26 CO 0.02 0.27 -0.01 1.23 0.02 0.00 0.00 177.57 179.10 1vre h GLY 27 N 0.93 0.00 1.14 2.17 0.00 -1.52 -0.75 103.07 105.04 1vre h GLY 27 Ca -0.00 0.00 0.08 0.00 0.00 0.00 0.00 47.33 47.41 1vre h GLY 27 CO 0.04 0.00 0.35 0.07 0.00 0.00 0.00 176.54 176.99 1vre h LYS 28 N -1.00 0.00 0.00 4.80 2.10 -1.56 0.17 116.57 121.07 1vre h LYS 28 Ca -0.00 0.00 0.00 0.00 -2.00 0.00 0.00 60.65 58.65 1vre h LYS 28 Cb 0.37 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 31.70 1vre h LYS 28 CO -0.00 0.00 -1.63 -0.85 -2.00 0.00 0.00 179.45 174.96 1vre n GLU 29 N -3.63 0.55 -0.01 0.07 0.28 -0.87 -3.95 120.64 113.07 1vre n GLU 29 Ca 0.04 -0.11 -0.00 0.00 -0.16 0.00 0.00 57.16 56.93 1vre n GLU 29 Cb 0.49 -1.58 -0.00 0.00 1.43 0.00 0.00 31.44 31.78 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 -0.12 0.13 0.03 0.00 -1.00 -1.38 -0.05 116.94 114.55 1vre h PHE 31 Ca 0.00 0.00 0.03 0.00 2.81 0.00 0.00 57.97 60.81 1vre h PHE 31 Cb 0.05 -0.04 -0.04 0.00 3.61 0.00 0.00 35.95 39.54 1vre h PHE 31 CO -0.02 0.01 -0.25 1.79 -1.61 0.00 0.00 178.31 178.22 1vre h THR 32 N 0.07 0.43 -0.85 -1.55 1.35 -1.70 -0.45 112.91 110.22 1vre h THR 32 Ca 0.57 0.00 0.00 0.00 -0.55 0.00 0.00 66.41 66.43 1vre h THR 32 Cb 2.13 0.43 -0.04 0.00 -1.73 0.00 0.00 68.15 68.95 1vre h THR 32 CO -0.07 0.00 0.53 0.11 -0.25 0.00 0.00 175.52 175.84 1vre h LYS 33 N -0.40 1.13 0.21 4.72 1.57 -1.14 -1.68 116.57 120.99 1vre h LYS 33 Ca 0.05 -0.09 -0.01 0.00 -1.87 0.00 0.00 60.65 58.74 1vre h LYS 33 Cb 0.47 -0.25 -0.01 0.00 0.08 0.00 0.00 32.23 32.53 1vre h LYS 33 CO -0.20 0.78 -0.14 0.35 -0.57 0.00 0.00 179.45 179.66 1vre h PHE 34 N 1.16 -0.36 -0.17 -1.35 3.57 -1.09 0.38 116.94 119.08 1vre h PHE 34 Ca 0.31 -0.00 0.01 0.00 3.53 0.00 0.00 57.97 61.82 1vre h PHE 34 Cb -0.08 0.13 -0.02 0.00 2.79 0.00 0.00 35.95 38.77 1vre h PHE 34 CO 0.00 -0.22 0.07 -0.07 -2.23 0.00 0.00 178.31 175.86 1vre h LEU 35 N -0.35 0.09 0.02 0.59 3.38 -0.83 1.46 115.31 119.67 1vre h LEU 35 Ca -0.02 0.01 0.02 0.00 0.09 0.00 0.00 57.88 57.99 1vre h LEU 35 Cb 0.29 -0.00 -0.03 0.00 0.09 0.00 0.00 40.66 41.01 1vre h LEU 35 CO 0.01 0.08 -0.17 0.77 0.09 0.00 0.00 178.44 179.22 1vre h SER 36 N 0.16 -0.50 0.93 -0.43 4.64 -1.10 -1.71 113.55 115.54 1vre h SER 36 Ca 0.07 0.07 -0.07 0.00 -0.47 0.00 0.00 61.79 61.39 1vre h SER 36 Cb 0.03 0.21 -0.01 0.00 -0.31 0.00 0.00 62.40 62.32 1vre h SER 36 CO -0.07 -0.24 -0.32 0.00 -0.87 0.00 0.00 176.83 175.33 1vre h ALA 37 N 0.61 0.98 -3.84 5.18 0.00 -0.67 -3.40 119.26 118.12 1vre h ALA 37 Ca 0.05 -0.29 -0.67 0.00 0.00 0.00 0.00 54.91 54.00 1vre h ALA 37 Cb 0.35 -0.05 -0.37 0.00 0.00 0.00 0.00 17.79 17.72 1vre h ALA 37 CO -0.15 0.40 -0.79 -1.01 0.00 0.00 0.00 179.25 177.70 1vre s HIS 38 N -3.58 3.26 -0.21 0.00 3.76 0.50 -4.95 115.29 114.08 1vre s HIS 38 Ca 0.01 -2.36 0.21 0.00 -0.15 0.00 0.00 55.06 52.77 1vre s HIS 38 Cb 0.10 -2.00 -0.03 0.00 1.11 0.00 0.00 32.58 31.76 1vre s HIS 38 CO 0.67 -0.88 1.00 0.45 -0.85 0.00 0.00 174.74 175.13 1vre h HIS 39 N 7.77 0.00 0.00 1.40 -0.00 -1.77 -3.26 115.15 119.28 1vre h HIS 39 Ca -0.18 0.00 -0.01 0.00 -0.00 0.00 0.00 60.37 60.18 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 0.61 0.15 -0.06 0.38 -0.00 0.00 0.00 177.93 179.02 1vre h ASP 40 N 0.00 0.00 0.23 2.45 3.04 -1.92 -2.69 116.42 117.53 1vre h ASP 40 Ca -0.04 0.00 0.00 0.00 -3.24 0.00 0.00 57.03 53.75 1vre h ASP 40 Cb 1.16 0.00 0.00 0.00 -1.04 0.00 0.00 39.33 39.45 1vre h ASP 40 CO 0.01 0.06 -1.15 0.23 -2.04 0.00 0.00 179.24 176.35 1vre n MET 41 N -3.18 0.25 0.20 4.15 2.81 -1.24 -4.29 117.12 115.81 1vre n MET 41 Ca 0.01 -0.04 -0.11 0.00 -1.81 0.00 0.00 57.70 55.75 1vre n MET 41 Cb 0.35 -1.55 -0.06 0.00 -0.71 0.00 0.00 33.22 31.26 1vre n MET 41 CO 0.00 0.00 0.00 0.00 1.51 0.00 0.00 175.97 177.48 1vre h ALA 42 N 2.61 -1.03 -0.27 3.04 0.00 -1.51 0.60 119.26 122.70 1vre h ALA 42 Ca 0.00 -0.12 0.08 0.00 0.00 0.00 0.00 54.91 54.87 1vre h ALA 42 Cb 0.69 0.48 -0.01 0.00 0.00 0.00 0.00 17.79 18.95 1vre h ALA 42 CO 0.00 -1.03 0.32 0.00 0.00 0.00 0.00 179.25 178.54 1vre h ALA 43 N -1.35 1.91 0.00 0.00 0.00 -1.71 0.35 119.26 118.46 1vre h ALA 43 Ca -0.05 -0.01 -0.17 0.00 0.00 0.00 0.00 54.91 54.69 1vre h ALA 43 Cb 0.52 0.02 0.01 0.00 0.00 0.00 0.00 17.79 18.34 1vre h ALA 43 CO -0.00 -0.46 -0.67 0.28 0.00 0.00 0.00 179.25 178.40 1vre h VAL 44 N 0.00 1.41 0.00 0.00 2.07 -1.37 -3.17 116.25 115.19 1vre h VAL 44 Ca 0.13 -2.11 0.00 0.00 0.82 0.00 0.00 66.70 65.54 1vre h VAL 44 Cb 0.77 2.58 0.00 0.00 -1.52 0.00 0.00 31.29 33.12 1vre h VAL 44 CO -0.00 0.62 0.00 -0.26 0.02 0.00 0.00 177.57 177.95 1vre h PHE 45 N -0.04 0.00 0.00 1.57 0.04 0.20 -3.41 116.94 115.29 1vre h PHE 45 Ca -0.08 0.00 0.00 0.00 2.80 0.00 0.00 57.97 60.69 1vre h PHE 45 Cb 1.37 0.00 0.00 0.00 2.20 0.00 0.00 35.95 39.52 1vre h PHE 45 CO 0.14 0.00 0.00 0.41 -0.60 0.00 0.00 178.31 178.26 1vre n GLY 46 N 0.39 1.33 2.57 -1.45 0.00 -0.08 -4.99 105.19 102.96 1vre n GLY 46 Ca 0.02 -0.24 -0.21 0.00 0.00 0.00 0.00 46.02 45.59 1vre n GLY 46 CO 0.00 0.00 0.00 0.69 0.00 0.00 0.00 173.32 174.01 1vre n PHE 47 N -1.92 0.37 -1.00 1.61 3.72 -0.76 -4.96 117.46 114.52 1vre n PHE 47 Ca 0.00 -1.92 0.04 0.00 -0.05 0.00 0.00 57.45 55.52 1vre n PHE 47 Cb 0.08 -0.09 0.06 0.00 -0.94 0.00 0.00 39.48 38.59 1vre n PHE 47 CO 0.00 0.00 0.00 0.43 -0.05 0.00 0.00 176.76 177.14 1vre n SER 48 N -1.51 1.44 0.00 4.37 7.64 -1.26 -3.71 113.62 120.59 1vre n SER 48 Ca -0.08 -2.31 0.00 0.00 1.01 0.00 0.00 58.87 57.49 1vre n SER 48 Cb 0.46 -0.22 0.00 0.00 -1.01 0.00 0.00 64.21 63.45 1vre n SER 48 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 1vre n GLY 49 N -0.71 0.56 0.17 0.23 0.00 -1.26 -4.86 105.19 99.32 1vre n GLY 49 Ca 0.06 -1.71 0.13 0.00 0.00 0.00 0.00 46.02 44.50 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 1.00 -0.26 4.61 0.00 -1.86 -3.32 119.26 119.43 1vre h ALA 50 Ca 0.00 0.00 -0.34 0.00 0.00 0.00 0.00 54.91 54.57 1vre h ALA 50 Cb 0.00 0.00 -0.12 0.00 0.00 0.00 0.00 17.79 17.67 1vre h ALA 50 CO 0.00 0.00 -0.01 0.45 0.00 0.00 0.00 179.25 179.69 1vre n SER 51 N -2.75 5.83 -3.80 0.00 2.88 -1.26 -4.81 113.62 109.71 1vre n SER 51 Ca 0.05 -2.83 -0.22 0.00 -1.33 0.00 0.00 58.87 54.54 1vre n SER 51 Cb 0.48 -1.33 -0.17 0.00 -0.75 0.00 0.00 64.21 62.44 1vre n SER 51 CO 0.00 0.00 0.00 -1.81 -1.23 0.00 0.00 175.04 172.00 1vre s ASP 52 N 1.21 1.37 0.49 -3.46 1.11 -1.25 -4.95 116.67 111.18 1vre s ASP 52 Ca 0.63 -0.09 0.24 0.00 0.18 0.00 0.00 52.55 53.50 1vre s ASP 52 Cb 0.35 -0.43 1.25 0.00 1.07 0.00 0.00 42.92 45.15 1vre s ASP 52 CO -0.11 -0.15 2.00 1.55 1.18 0.00 0.00 175.17 179.64 1vre h PRO 53 N 7.99 0.00 -0.81 8.23 0.13 -1.94 -2.53 132.00 143.06 1vre h PRO 53 Ca -0.26 0.00 0.19 0.00 -0.87 0.00 0.00 66.00 65.06 1vre h PRO 53 Cb 1.13 0.00 -0.05 0.00 0.13 0.00 0.00 31.00 32.21 1vre h PRO 53 CO 0.33 0.17 0.55 0.78 -0.23 0.00 0.00 178.00 179.60 1vre h GLY 54 N 0.99 0.59 0.33 1.56 0.00 -1.94 0.25 103.07 104.85 1vre h GLY 54 Ca -0.00 -0.13 0.21 0.00 0.00 0.00 0.00 47.33 47.40 1vre h GLY 54 CO 0.02 0.02 0.59 -2.08 0.00 0.00 0.00 176.54 175.09 1vre h VAL 55 N 0.30 0.66 0.00 4.60 2.07 -1.82 1.48 116.25 123.53 1vre h VAL 55 Ca 0.41 -0.10 0.00 0.00 0.82 0.00 0.00 66.70 67.82 1vre h VAL 55 Cb 1.13 0.33 0.00 0.00 -1.52 0.00 0.00 31.29 31.24 1vre h VAL 55 CO -0.11 0.05 0.00 0.00 0.02 0.00 0.00 177.57 177.53 1vre n ALA 56 N -2.56 2.17 -0.00 1.67 0.00 0.87 -2.73 120.51 119.92 1vre n ALA 56 Ca 0.18 -0.11 -0.16 0.00 0.00 0.00 0.00 53.44 53.35 1vre n ALA 56 Cb 0.74 -1.35 -0.14 0.00 0.00 0.00 0.00 19.45 18.70 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 -1.21 1.63 -0.05 0.00 2.03 0.50 -3.42 116.55 116.04 1vre n ASP 57 Ca 0.12 0.29 -0.01 0.00 0.52 0.00 0.00 54.79 55.71 1vre n ASP 57 Cb 0.15 -0.55 -0.00 0.00 -0.72 0.00 0.00 41.12 39.99 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 0.04 0.00 -1.98 -2.67 3.38 -1.45 -3.24 115.31 109.39 1vre h LEU 58 Ca -0.37 0.00 0.18 0.00 0.09 0.00 0.00 57.88 57.79 1vre h LEU 58 Cb 2.03 0.00 -0.03 0.00 0.09 0.00 0.00 40.66 42.75 1vre h LEU 58 CO 0.09 0.47 0.52 1.23 0.09 0.00 0.00 178.44 180.83 1vre h GLY 59 N -0.78 0.00 0.77 0.83 0.00 -1.76 0.73 103.07 102.86 1vre h GLY 59 Ca 0.00 0.00 -0.01 0.00 0.00 0.00 0.00 47.33 47.32 1vre h GLY 59 CO 0.00 0.00 -0.14 0.00 0.00 0.00 0.00 176.54 176.40 1vre h ALA 60 N 1.56 -0.38 0.15 3.60 0.00 -1.68 -2.41 119.26 120.09 1vre h ALA 60 Ca 0.30 -0.16 -0.21 0.00 0.00 0.00 0.00 54.91 54.84 1vre h ALA 60 Cb 1.33 0.15 0.02 0.00 0.00 0.00 0.00 17.79 19.29 1vre h ALA 60 CO -0.00 -0.60 -0.90 0.87 0.00 0.00 0.00 179.25 178.62 1vre h LYS 61 N -0.62 0.35 -0.35 0.00 1.57 -1.27 -3.32 116.57 112.93 1vre h LYS 61 Ca -0.04 -0.58 0.05 0.00 -1.87 0.00 0.00 60.65 58.22 1vre h LYS 61 Cb 0.44 0.21 -0.08 0.00 0.08 0.00 0.00 32.23 32.88 1vre h LYS 61 CO 0.06 1.27 -0.51 0.28 -0.57 0.00 0.00 179.45 179.98 1vre h VAL 62 N -0.26 0.04 -1.04 0.50 2.07 0.35 0.21 116.25 118.12 1vre h VAL 62 Ca -0.15 0.00 0.30 0.00 0.82 0.00 0.00 66.70 67.67 1vre h VAL 62 Cb 1.70 0.04 -0.13 0.00 -1.52 0.00 0.00 31.29 31.38 1vre h VAL 62 CO 0.17 0.00 0.63 -0.07 0.02 0.00 0.00 177.57 178.32 1vre h LEU 63 N -0.42 0.52 -0.88 2.57 4.07 -1.57 0.46 115.31 120.07 1vre h LEU 63 Ca 0.09 0.15 0.16 0.00 0.08 0.00 0.00 57.88 58.36 1vre h LEU 63 Cb 0.61 0.08 -0.10 0.00 1.08 0.00 0.00 40.66 42.33 1vre h LEU 63 CO -0.56 -0.03 0.46 0.00 -1.08 0.00 0.00 178.44 177.24 1vre h ALA 64 N 1.74 1.36 -0.76 1.53 0.00 -0.68 0.14 119.26 122.59 1vre h ALA 64 Ca 0.69 0.09 -0.00 0.00 0.00 0.00 0.00 54.91 55.69 1vre h ALA 64 Cb 1.61 -0.00 -0.04 0.00 0.00 0.00 0.00 17.79 19.35 1vre h ALA 64 CO -0.49 -0.12 0.47 1.96 0.00 0.00 0.00 179.25 181.08 1vre h GLN 65 N 0.62 1.03 -0.33 0.00 1.08 0.01 -1.15 115.11 116.37 1vre h GLN 65 Ca 0.50 -0.09 -0.01 0.00 -1.45 0.00 0.00 58.65 57.60 1vre h GLN 65 Cb 0.75 -0.22 -0.02 0.00 -0.05 0.00 0.00 27.48 27.94 1vre h GLN 65 CO -0.39 0.72 0.15 0.82 -0.95 0.00 0.00 178.83 179.18 1vre h ILE 66 N 1.04 1.12 0.24 2.54 2.04 -0.70 -0.39 117.51 123.40 1vre h ILE 66 Ca 0.27 -0.33 -0.01 0.00 1.00 0.00 0.00 64.86 65.79 1vre h ILE 66 Cb -0.06 0.70 0.00 0.00 -0.74 0.00 0.00 36.82 36.73 1vre h ILE 66 CO -0.05 0.13 -0.11 1.23 0.00 0.00 0.00 178.15 179.35 1vre h GLY 67 N 0.56 -0.33 1.98 5.37 0.00 -0.25 0.41 103.07 110.81 1vre h GLY 67 Ca 0.12 0.12 0.00 0.00 0.00 0.00 0.00 47.33 47.57 1vre h GLY 67 CO -0.02 -0.12 0.01 -2.08 0.00 0.00 0.00 176.54 174.33 1vre h VAL 68 N -0.69 0.42 0.01 4.60 2.07 -1.01 -0.78 116.25 120.87 1vre h VAL 68 Ca -0.03 0.00 -0.26 0.00 0.82 0.00 0.00 66.70 67.23 1vre h VAL 68 Cb 0.48 0.99 -0.04 0.00 -1.52 0.00 0.00 31.29 31.20 1vre h VAL 68 CO 0.05 0.00 -1.44 0.00 0.02 0.00 0.00 177.57 176.21 1vre h ALA 69 N 1.99 0.59 0.00 1.67 0.00 -0.70 -3.28 119.26 119.53 1vre h ALA 69 Ca 0.00 -1.24 -0.00 0.00 0.00 0.00 0.00 54.91 53.67 1vre h ALA 69 Cb 0.02 0.24 -0.00 0.00 0.00 0.00 0.00 17.79 18.05 1vre h ALA 69 CO -0.00 1.44 -0.02 0.28 0.00 0.00 0.00 179.25 180.95 1vre h VAL 70 N 0.00 0.14 -0.57 0.00 2.07 0.13 -2.79 116.25 115.24 1vre h VAL 70 Ca -0.18 -0.23 -0.33 0.00 0.82 0.00 0.00 66.70 66.78 1vre h VAL 70 Cb 1.92 1.19 -0.13 0.00 -1.52 0.00 0.00 31.29 32.75 1vre h VAL 70 CO 0.10 0.02 0.29 -0.24 0.02 0.00 0.00 177.57 177.77 1vre n SER 71 N -3.24 6.25 0.00 0.57 2.88 -1.14 -4.53 113.62 114.42 1vre n SER 71 Ca -0.02 -2.99 0.00 0.00 -1.33 0.00 0.00 58.87 54.53 1vre n SER 71 Cb 0.16 -1.15 0.00 0.00 -0.75 0.00 0.00 64.21 62.47 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 0.82 0.00 0.00 0.66 -0.00 -1.05 -4.98 115.22 110.67 1vre n HIS 72 Ca 0.34 0.00 0.00 0.00 -0.00 0.00 0.00 57.72 58.06 1vre n HIS 72 Cb 0.60 0.00 0.00 0.00 -0.00 0.00 0.00 29.99 30.59 1vre n HIS 72 CO 0.00 0.00 0.00 1.28 -0.00 0.00 0.00 176.34 177.62 1vre n LEU 73 N -0.59 0.00 -0.12 2.41 7.99 -1.25 -1.40 117.00 124.03 1vre n LEU 73 Ca 0.00 0.00 0.27 0.00 -0.01 0.00 0.00 56.01 56.27 1vre n LEU 73 Cb 0.00 0.00 0.68 0.00 -0.11 0.00 0.00 43.42 43.99 1vre n LEU 73 CO 0.00 0.00 1.25 1.23 -1.51 0.00 0.00 177.39 178.36 1vre h GLY 74 N 0.00 0.00 -7.52 -0.72 0.00 -1.93 -2.99 103.07 89.90 1vre h GLY 74 Ca 0.00 0.00 -0.74 0.00 0.00 0.00 0.00 47.33 46.59 1vre h GLY 74 CO 0.00 0.00 0.02 -0.35 0.00 0.00 0.00 176.54 176.21 1vre s ASP 75 N -4.80 6.31 -0.36 0.19 -1.08 -0.49 -4.90 116.67 111.53 1vre s ASP 75 Ca -0.04 -3.33 -0.02 0.00 -0.52 0.00 0.00 52.55 48.63 1vre s ASP 75 Cb 0.18 -2.03 0.13 0.00 -1.46 0.00 0.00 42.92 39.74 1vre s ASP 75 CO 0.62 -0.32 2.39 -1.84 0.52 0.00 0.00 175.17 176.54 1vre n GLU 76 N 2.95 2.05 -0.00 4.34 0.28 -1.13 -3.92 120.64 125.20 1vre n GLU 76 Ca 0.18 -1.85 0.00 0.00 -0.16 0.00 0.00 57.16 55.34 1vre n GLU 76 Cb 0.40 -1.84 -0.01 0.00 1.43 0.00 0.00 31.44 31.42 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 0.65 0.65 0.00 -1.84 0.00 -1.26 -4.78 105.19 98.61 1vre n GLY 77 Ca 0.38 -0.03 0.00 0.00 0.00 0.00 0.00 46.02 46.37 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 -1.16 0.39 -0.26 1.61 4.81 -1.25 -4.67 118.16 117.63 1vre n LYS 78 Ca 0.00 0.00 0.06 0.00 -0.87 0.00 0.00 58.31 57.50 1vre n LYS 78 Cb 0.02 -0.75 0.20 0.00 0.02 0.00 0.00 35.03 34.52 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 0.33 0.00 1.64 4.05 -1.88 0.99 114.93 120.06 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 0.49 -0.07 0.00 0.00 -0.80 0.00 0.00 31.60 31.22 1vre h MET 79 CO 0.00 0.22 0.00 0.28 0.23 0.00 0.00 176.91 177.64 1vre n VAL 80 N -5.09 0.50 0.08 -5.77 0.31 -1.26 -1.89 118.33 105.21 1vre n VAL 80 Ca 0.15 0.12 -0.09 0.00 -0.01 0.00 0.00 64.34 64.52 1vre n VAL 80 Cb 0.47 -0.78 -0.05 0.00 -0.91 0.00 0.00 33.84 32.57 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 2.82 0.42 0.01 3.52 0.00 0.76 -2.69 119.26 124.10 1vre h ALA 81 Ca 0.00 -0.80 -0.40 0.00 0.00 0.00 0.00 54.91 53.71 1vre h ALA 81 Cb 0.28 -0.09 -0.07 0.00 0.00 0.00 0.00 17.79 17.91 1vre h ALA 81 CO 0.00 1.02 -2.45 0.39 0.00 0.00 0.00 179.25 178.21 1vre n GLU 82 N -3.55 0.65 -0.05 0.00 1.02 -1.13 -4.02 120.64 113.56 1vre n GLU 82 Ca -0.03 0.18 -0.11 0.00 -0.02 0.00 0.00 57.16 57.18 1vre n GLU 82 Cb 0.87 -1.53 -0.04 0.00 -0.02 0.00 0.00 31.44 30.72 1vre n GLU 82 CO 0.00 0.00 0.00 0.52 1.18 0.00 0.00 177.13 178.83 1vre h MET 83 N -0.14 0.27 -0.79 3.49 2.86 -1.53 -2.09 114.93 117.00 1vre h MET 83 Ca -0.59 -0.04 0.13 0.00 -2.06 0.00 0.00 59.70 57.14 1vre h MET 83 Cb 1.86 -0.05 -0.06 0.00 0.06 0.00 0.00 31.60 33.42 1vre h MET 83 CO -0.13 0.31 0.52 -0.22 1.06 0.00 0.00 176.91 178.45 1vre h LYS 84 N 0.17 0.57 -0.40 1.72 3.11 -1.38 0.16 116.57 120.51 1vre h LYS 84 Ca 0.06 -0.03 -0.05 0.00 -2.81 0.00 0.00 60.65 57.81 1vre h LYS 84 Cb 0.13 -0.13 -0.02 0.00 -1.00 0.00 0.00 32.23 31.21 1vre h LYS 84 CO -0.01 0.38 0.02 0.00 -2.81 0.00 0.00 179.45 177.03 1vre h ALA 85 N 1.62 1.29 -0.33 5.00 0.00 -1.52 -2.72 119.26 122.60 1vre h ALA 85 Ca 0.38 -0.22 0.06 0.00 0.00 0.00 0.00 54.91 55.13 1vre h ALA 85 Cb 0.67 -0.17 -0.05 0.00 0.00 0.00 0.00 17.79 18.24 1vre h ALA 85 CO -0.15 0.49 0.01 0.28 0.00 0.00 0.00 179.25 179.88 1vre h VAL 86 N 0.60 0.77 -0.37 0.00 2.07 -0.30 -1.74 116.25 117.27 1vre h VAL 86 Ca 0.13 -0.04 0.08 0.00 0.82 0.00 0.00 66.70 67.69 1vre h VAL 86 Cb 0.35 0.66 -0.07 0.00 -1.52 0.00 0.00 31.29 30.71 1vre h VAL 86 CO 0.01 0.02 -0.12 1.23 0.02 0.00 0.00 177.57 178.73 1vre h GLY 87 N 0.11 0.23 0.27 2.17 0.00 -1.42 0.50 103.07 104.92 1vre h GLY 87 Ca 0.16 0.15 0.17 0.00 0.00 0.00 0.00 47.33 47.81 1vre h GLY 87 CO -0.25 -0.16 0.70 -2.08 0.00 0.00 0.00 176.54 174.75 1vre h VAL 88 N -0.03 0.23 0.04 4.60 2.07 -0.77 0.35 116.25 122.73 1vre h VAL 88 Ca 0.18 0.00 -0.15 0.00 0.82 0.00 0.00 66.70 67.55 1vre h VAL 88 Cb 0.31 0.43 0.01 0.00 -1.52 0.00 0.00 31.29 30.53 1vre h VAL 88 CO -0.40 0.00 -0.63 0.03 0.02 0.00 0.00 177.57 176.59 1vre h ARG 89 N 0.00 0.35 0.00 1.57 2.47 0.22 -3.08 114.38 115.92 1vre h ARG 89 Ca 0.29 -0.43 0.00 0.00 -1.26 0.00 0.00 59.98 58.57 1vre h ARG 89 Cb 1.68 0.14 0.00 0.00 -1.65 0.00 0.00 29.97 30.13 1vre h ARG 89 CO -0.00 1.13 0.06 0.45 0.56 0.00 0.00 179.97 182.16 1vre h HIS 90 N -0.22 0.00 0.00 3.04 3.86 0.00 0.11 115.15 121.93 1vre h HIS 90 Ca -0.09 0.00 0.00 0.00 -1.16 0.00 0.00 60.37 59.12 1vre h HIS 90 Cb 1.38 0.00 0.00 0.00 1.06 0.00 0.00 27.41 29.85 1vre h HIS 90 CO 0.17 0.00 0.00 -0.22 0.86 0.00 0.00 177.93 178.74 1vre h LYS 91 N 0.00 0.00 -1.10 2.45 3.64 -1.34 -3.19 116.57 117.03 1vre h LYS 91 Ca 0.00 0.00 -0.39 0.00 -1.27 0.00 0.00 60.65 58.99 1vre h LYS 91 Cb 0.12 0.00 -0.40 0.00 -0.41 0.00 0.00 32.23 31.54 1vre h LYS 91 CO 0.00 0.00 -1.15 0.41 -2.27 0.00 0.00 179.45 176.44 1vre n GLY 92 N -0.25 2.07 0.97 5.01 0.00 0.37 -4.91 105.19 108.45 1vre n GLY 92 Ca 0.01 -1.46 -0.06 0.00 0.00 0.00 0.00 46.02 44.51 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 -0.09 -3.16 -0.04 1.61 4.02 -1.20 -4.97 117.16 113.32 1vre n TYR 93 Ca 0.13 -0.46 -0.17 0.00 -0.01 0.00 0.00 57.90 57.39 1vre n TYR 93 Cb 0.79 -0.17 -0.06 0.00 -0.02 0.00 0.00 39.34 39.88 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 -0.11 0.89 0.70 2.72 0.00 -1.93 -3.27 103.07 102.06 1vre h GLY 94 Ca -0.08 -1.18 -0.17 0.00 0.00 0.00 0.00 47.33 45.90 1vre h GLY 94 CO 0.09 1.05 -0.70 -0.57 0.00 0.00 0.00 176.54 176.41 1vre h ASN 95 N 0.56 0.47 0.00 0.19 -1.24 -1.89 -3.46 115.58 110.20 1vre h ASN 95 Ca -0.03 -0.88 0.00 0.00 0.71 0.00 0.00 56.30 56.10 1vre h ASN 95 Cb 1.31 -0.15 0.00 0.00 0.73 0.00 0.00 38.32 40.21 1vre h ASN 95 CO 0.14 1.31 0.00 1.17 -1.29 0.00 0.00 177.43 178.76 1vre n LYS 96 N -4.18 0.00 -0.87 6.67 4.81 -1.24 -4.75 118.16 118.59 1vre n LYS 96 Ca -0.12 0.00 -0.42 0.00 -0.87 0.00 0.00 58.31 56.90 1vre n LYS 96 Cb 0.75 0.00 -0.07 0.00 0.02 0.00 0.00 35.03 35.73 1vre n LYS 96 CO 0.00 0.00 0.00 0.72 1.17 0.00 0.00 177.40 179.29 1vre n HIS 97 N 0.00 1.15 -3.82 5.64 8.25 -1.26 -4.87 115.22 120.31 1vre n HIS 97 Ca 0.00 -1.33 -0.20 0.00 -0.26 0.00 0.00 57.72 55.92 1vre n HIS 97 Cb 0.00 -1.35 -0.02 0.00 1.12 0.00 0.00 29.99 29.75 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 5.60 4.79 0.01 1.59 1.01 -1.26 -4.97 121.20 127.95 1vre s ILE 98 Ca 0.59 -1.03 0.01 0.00 0.00 0.00 0.00 60.65 60.22 1vre s ILE 98 Cb 0.14 -3.67 -0.01 0.00 0.01 0.00 0.00 42.46 38.93 1vre s ILE 98 CO 0.19 -0.27 -0.05 -0.54 0.00 0.00 0.00 174.94 174.26 1vre s LYS 99 N -4.03 0.36 0.00 2.79 3.01 -1.26 -4.96 119.74 115.66 1vre s LYS 99 Ca 0.37 -0.29 0.30 0.00 -1.01 0.00 0.00 55.97 55.35 1vre s LYS 99 Cb -0.09 -0.29 1.53 0.00 -1.01 0.00 0.00 37.83 37.97 1vre s LYS 99 CO 0.29 0.07 2.02 0.00 0.51 0.00 0.00 175.35 178.24 1vre n ALA 100 N 2.60 2.65 0.10 5.17 0.00 -1.26 -3.55 120.51 126.22 1vre n ALA 100 Ca -0.15 -0.30 -0.03 0.00 0.00 0.00 0.00 53.44 52.96 1vre n ALA 100 Cb 0.58 -1.37 -0.02 0.00 0.00 0.00 0.00 19.45 18.63 1vre n ALA 100 CO 0.00 0.00 0.00 1.05 0.00 0.00 0.00 177.50 178.55 1vre h GLU 101 N 0.94 0.00 0.00 0.00 4.11 -2.01 -3.10 114.58 114.51 1vre h GLU 101 Ca 0.00 0.00 0.00 0.00 0.07 0.00 0.00 59.36 59.43 1vre h GLU 101 Cb 0.22 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.47 1vre h GLU 101 CO 0.00 0.79 0.00 0.66 0.07 0.00 0.00 179.01 180.53 1vre n TYR 102 N -3.37 0.67 0.24 2.06 4.02 -1.23 -3.97 117.16 115.57 1vre n TYR 102 Ca 0.00 0.21 -0.11 0.00 -0.01 0.00 0.00 57.90 57.99 1vre n TYR 102 Cb 0.83 -0.84 -0.05 0.00 -0.02 0.00 0.00 39.34 39.25 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 0.00 -0.73 -0.09 -0.72 -1.00 -1.73 0.16 116.94 112.84 1vre h PHE 103 Ca 0.00 -0.01 0.04 0.00 2.81 0.00 0.00 57.97 60.81 1vre h PHE 103 Cb 0.61 0.26 -0.06 0.00 3.61 0.00 0.00 35.95 40.37 1vre h PHE 103 CO 0.00 -0.41 -0.36 0.93 -1.61 0.00 0.00 178.31 176.87 1vre h GLU 104 N -0.67 -0.44 -0.32 1.51 5.08 -1.76 -1.21 114.58 116.77 1vre h GLU 104 Ca -0.06 0.03 0.07 0.00 -1.00 0.00 0.00 59.36 58.40 1vre h GLU 104 Cb 0.53 0.10 -0.08 0.00 0.50 0.00 0.00 28.75 29.80 1vre h GLU 104 CO 0.06 -0.29 -0.31 -1.35 -1.00 0.00 0.00 179.01 176.12 1vre h PRO 105 N -0.46 -0.27 0.00 2.33 0.11 -1.68 0.75 132.00 132.78 1vre h PRO 105 Ca 0.08 0.02 0.00 0.00 0.11 0.00 0.00 66.00 66.21 1vre h PRO 105 Cb 0.58 0.06 0.00 0.00 0.11 0.00 0.00 31.00 31.75 1vre h PRO 105 CO -0.34 -0.18 0.14 1.25 -0.21 0.00 0.00 178.00 178.66 1vre h LEU 106 N -0.28 0.00 0.16 2.35 7.12 -0.03 -0.36 115.31 124.27 1vre h LEU 106 Ca 0.15 0.00 -0.31 0.00 0.13 0.00 0.00 57.88 57.85 1vre h LEU 106 Cb 0.53 0.00 0.03 0.00 -0.53 0.00 0.00 40.66 40.69 1vre h LEU 106 CO -0.48 0.00 -1.32 1.23 -0.13 0.00 0.00 178.44 177.74 1vre h GLY 107 N 0.00 0.68 0.88 3.75 0.00 0.17 -2.89 103.07 105.65 1vre h GLY 107 Ca 0.00 -1.50 -0.03 0.00 0.00 0.00 0.00 47.33 45.80 1vre h GLY 107 CO 0.00 1.32 -0.30 0.00 0.00 0.00 0.00 176.54 177.56 1vre h ALA 108 N 0.26 -0.85 -0.10 3.60 0.00 -0.30 -2.07 119.26 119.80 1vre h ALA 108 Ca -0.21 -0.20 0.03 0.00 0.00 0.00 0.00 54.91 54.52 1vre h ALA 108 Cb 2.00 0.33 -0.00 0.00 0.00 0.00 0.00 17.79 20.12 1vre h ALA 108 CO 0.25 -0.91 0.18 0.77 0.00 0.00 0.00 179.25 179.54 1vre h SER 109 N -0.98 0.00 -0.22 0.00 0.02 -1.64 -0.95 113.55 109.78 1vre h SER 109 Ca -0.09 0.00 -0.11 0.00 -0.84 0.00 0.00 61.79 60.76 1vre h SER 109 Cb 0.69 0.00 -0.00 0.00 0.14 0.00 0.00 62.40 63.23 1vre h SER 109 CO 0.14 0.00 -0.28 0.25 -1.14 0.00 0.00 176.83 175.80 1vre h LEU 110 N 0.00 0.63 -1.96 5.07 6.46 -1.17 -2.89 115.31 121.45 1vre h LEU 110 Ca 0.05 -0.50 0.08 0.00 -0.12 0.00 0.00 57.88 57.39 1vre h LEU 110 Cb 0.40 -0.18 -0.01 0.00 -0.73 0.00 0.00 40.66 40.14 1vre h LEU 110 CO -0.00 1.00 0.23 -0.07 -0.62 0.00 0.00 178.44 178.98 1vre h LEU 111 N 0.26 0.04 -0.66 2.25 3.38 -0.66 -0.16 115.31 119.76 1vre h LEU 111 Ca 0.03 0.00 -0.10 0.00 0.09 0.00 0.00 57.88 57.89 1vre h LEU 111 Cb 0.85 -0.01 -0.02 0.00 0.09 0.00 0.00 40.66 41.57 1vre h LEU 111 CO 0.07 0.03 -0.08 -1.28 0.09 0.00 0.00 178.44 177.27 1vre h SER 112 N 0.05 0.96 -0.03 -0.43 0.87 -1.45 -3.05 113.55 110.46 1vre h SER 112 Ca 0.15 -0.29 -0.25 0.00 -1.23 0.00 0.00 61.79 60.17 1vre h SER 112 Cb 0.55 -0.26 0.02 0.00 -0.44 0.00 0.00 62.40 62.26 1vre h SER 112 CO -0.01 1.05 -0.96 0.00 -0.53 0.00 0.00 176.83 176.38 1vre h ALA 113 N 1.03 0.19 -0.99 6.23 0.00 -1.05 -3.21 119.26 121.47 1vre h ALA 113 Ca 0.14 -0.67 0.25 0.00 0.00 0.00 0.00 54.91 54.64 1vre h ALA 113 Cb 0.62 0.03 -0.13 0.00 0.00 0.00 0.00 17.79 18.31 1vre h ALA 113 CO 0.04 0.69 0.57 0.52 0.00 0.00 0.00 179.25 181.07 1vre h MET 114 N 0.44 0.52 -0.27 0.00 2.07 -1.07 0.86 114.93 117.48 1vre h MET 114 Ca -0.11 -0.03 0.08 0.00 -2.07 0.00 0.00 59.70 57.57 1vre h MET 114 Cb 1.61 -0.12 -0.01 0.00 -1.87 0.00 0.00 31.60 31.21 1vre h MET 114 CO 0.19 0.34 0.35 1.49 1.07 0.00 0.00 176.91 180.36 1vre h GLU 115 N 0.53 0.00 -0.37 1.72 4.81 -1.54 -2.06 114.58 117.68 1vre h GLU 115 Ca 0.65 0.00 0.08 0.00 -0.13 0.00 0.00 59.36 59.95 1vre h GLU 115 Cb 1.25 0.00 -0.09 0.00 0.63 0.00 0.00 28.75 30.55 1vre h GLU 115 CO -0.50 0.00 -0.26 0.45 -0.73 0.00 0.00 179.01 177.98 1vre h HIS 116 N 0.00 -0.68 0.00 0.92 3.86 0.60 0.71 115.15 120.56 1vre h HIS 116 Ca 0.13 0.05 0.00 0.00 -1.16 0.00 0.00 60.37 59.39 1vre h HIS 116 Cb 0.83 0.35 0.00 0.00 1.06 0.00 0.00 27.41 29.66 1vre h HIS 116 CO 0.00 -0.33 0.00 -2.13 0.86 0.00 0.00 177.93 176.33 1vre n ARG 117 N -5.40 0.00 -1.57 2.45 3.00 -0.78 -4.07 116.66 110.29 1vre n ARG 117 Ca 0.01 0.37 -0.33 0.00 -0.00 0.00 0.00 57.85 57.91 1vre n ARG 117 Cb 0.31 -0.99 -0.05 0.00 0.00 0.00 0.00 32.46 31.73 1vre n ARG 117 CO 0.00 0.00 0.00 0.44 0.00 0.00 0.00 177.63 178.07 1vre n ILE 118 N -1.62 4.28 0.25 5.15 -5.35 -1.20 -4.56 119.36 116.31 1vre n ILE 118 Ca 0.00 -3.21 0.12 0.00 -0.27 0.00 0.00 62.75 59.40 1vre n ILE 118 Cb 0.00 -2.08 0.62 0.00 -1.74 0.00 0.00 39.64 36.43 1vre n ILE 118 CO 0.00 0.00 0.00 1.23 -1.76 0.00 0.00 176.55 176.02 1vre h GLY 119 N 5.46 0.00 0.52 3.28 0.00 0.31 1.34 103.07 113.98 1vre h GLY 119 Ca 0.60 0.00 -0.06 0.00 0.00 0.00 0.00 47.33 47.88 1vre h GLY 119 CO 1.24 0.00 -1.57 0.61 0.00 0.00 0.00 176.54 176.81 1vre n GLY 120 N -0.23 -1.20 0.02 4.60 0.00 -1.26 -4.21 105.19 102.91 1vre n GLY 120 Ca -0.01 -0.34 0.08 0.00 0.00 0.00 0.00 46.02 45.75 1vre n GLY 120 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 1vre n LYS 121 N -2.55 0.66 -1.94 1.61 5.02 -0.98 -4.75 118.16 115.24 1vre n LYS 121 Ca -0.06 -0.17 -0.24 0.00 -2.02 0.00 0.00 58.31 55.82 1vre n LYS 121 Cb 0.65 -1.50 -0.08 0.00 -0.02 0.00 0.00 35.03 34.08 1vre n LYS 121 CO 0.00 0.00 0.00 1.41 -0.52 0.00 0.00 177.40 178.29 1vre s MET 122 N -3.32 2.12 0.00 1.97 1.75 0.46 -4.85 119.30 117.42 1vre s MET 122 Ca -0.08 -0.95 0.00 0.00 -1.25 0.00 0.00 55.69 53.41 1vre s MET 122 Cb 0.12 -5.17 0.00 0.00 2.84 0.00 0.00 34.83 32.63 1vre s MET 122 CO 0.87 -4.41 0.00 0.27 -0.65 0.00 0.00 175.02 171.09 1vre n ASN 123 N 15.91 0.00 -0.06 1.11 0.23 -1.26 -4.80 115.26 126.38 1vre n ASN 123 Ca 0.44 -0.39 -0.15 0.00 -0.53 0.00 0.00 54.58 53.95 1vre n ASN 123 Cb 0.47 0.00 -0.06 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 -1.70 0.35 0.00 -2.53 0.00 -2.00 -2.59 119.26 110.79 1vre h ALA 124 Ca 0.00 -0.47 -0.01 0.00 0.00 0.00 0.00 54.91 54.43 1vre h ALA 124 Cb 0.00 -0.06 -0.00 0.00 0.00 0.00 0.00 17.79 17.73 1vre h ALA 124 CO 0.00 0.49 -0.05 0.00 0.00 0.00 0.00 179.25 179.68 1vre h ALA 125 N 0.62 1.31 0.04 0.00 0.00 -1.96 0.21 119.26 119.48 1vre h ALA 125 Ca 0.01 -0.05 -0.00 0.00 0.00 0.00 0.00 54.91 54.87 1vre h ALA 125 Cb 1.05 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.83 1vre h ALA 125 CO 0.10 0.07 -0.02 0.00 0.00 0.00 0.00 179.25 179.40 1vre h ALA 126 N 1.95 -0.05 -0.17 0.00 0.00 -1.83 -0.09 119.26 119.06 1vre h ALA 126 Ca -0.00 -0.32 -0.09 0.00 0.00 0.00 0.00 54.91 54.50 1vre h ALA 126 Cb 0.17 0.02 -0.01 0.00 0.00 0.00 0.00 17.79 17.97 1vre h ALA 126 CO 0.01 -0.10 -0.30 1.57 0.00 0.00 0.00 179.25 180.43 1vre h LYS 127 N -0.91 0.33 0.19 0.00 2.10 -1.23 -1.74 116.57 115.31 1vre h LYS 127 Ca -0.01 -0.13 -0.01 0.00 -2.00 0.00 0.00 60.65 58.51 1vre h LYS 127 Cb 0.66 -0.02 0.00 0.00 -0.90 0.00 0.00 32.23 31.97 1vre h LYS 127 CO 0.01 0.60 -0.09 0.22 -2.00 0.00 0.00 179.45 178.19 1vre h ASP 128 N 0.29 -0.21 -0.81 7.07 3.58 -0.67 0.29 116.42 125.96 1vre h ASP 128 Ca 0.04 -0.29 0.15 0.00 0.42 0.00 0.00 57.03 57.35 1vre h ASP 128 Cb 0.68 0.06 -0.10 0.00 1.72 0.00 0.00 39.33 41.68 1vre h ASP 128 CO 0.05 0.33 0.37 0.00 -2.88 0.00 0.00 179.24 177.10 1vre h ALA 129 N -0.45 1.20 0.00 -0.78 0.00 -1.00 0.31 119.26 118.54 1vre h ALA 129 Ca -0.03 0.11 -0.15 0.00 0.00 0.00 0.00 54.91 54.84 1vre h ALA 129 Cb 0.50 0.06 -0.02 0.00 0.00 0.00 0.00 17.79 18.32 1vre h ALA 129 CO 0.04 -0.18 -0.73 -1.49 0.00 0.00 0.00 179.25 176.89 1vre h TRP 130 N 0.51 0.00 0.00 0.00 4.06 -1.34 -1.57 115.95 117.60 1vre h TRP 130 Ca 0.45 0.00 -0.07 0.00 2.06 0.00 0.00 58.89 61.33 1vre h TRP 130 Cb 0.70 0.00 -0.01 0.00 -1.00 0.00 0.00 29.16 28.85 1vre h TRP 130 CO -0.13 0.73 -0.36 0.00 -3.56 0.00 0.00 178.44 175.12 1vre h ALA 131 N 1.27 1.20 0.00 1.49 0.00 0.30 0.85 119.26 124.36 1vre h ALA 131 Ca -0.01 -0.32 -0.19 0.00 0.00 0.00 0.00 54.91 54.39 1vre h ALA 131 Cb 1.35 -0.06 -0.03 0.00 0.00 0.00 0.00 17.79 19.05 1vre h ALA 131 CO 0.10 0.45 -1.41 0.00 0.00 0.00 0.00 179.25 178.39 1vre h ALA 132 N 1.64 0.67 0.11 0.00 0.00 -0.54 -3.36 119.26 117.79 1vre h ALA 132 Ca -0.00 -0.94 -0.16 0.00 0.00 0.00 0.00 54.91 53.80 1vre h ALA 132 Cb 0.73 0.29 0.02 0.00 0.00 0.00 0.00 17.79 18.83 1vre h ALA 132 CO 0.05 1.04 -0.69 0.00 0.00 0.00 0.00 179.25 179.65 1vre h ALA 133 N 1.34 -0.06 -1.09 0.00 0.00 -1.01 -3.24 119.26 115.20 1vre h ALA 133 Ca -0.17 -0.66 0.31 0.00 0.00 0.00 0.00 54.91 54.39 1vre h ALA 133 Cb 1.66 0.08 -0.06 0.00 0.00 0.00 0.00 17.79 19.47 1vre h ALA 133 CO 0.06 0.32 0.76 1.88 0.00 0.00 0.00 179.25 182.27 1vre h TYR 134 N -0.42 0.17 -0.16 0.00 0.05 -1.00 0.78 116.97 116.39 1vre h TYR 134 Ca -0.12 0.01 -0.17 0.00 0.05 0.00 0.00 58.73 58.49 1vre h TYR 134 Cb 1.52 -0.05 -0.00 0.00 1.01 0.00 0.00 36.73 39.21 1vre h TYR 134 CO 0.20 0.02 -0.62 0.00 -1.05 0.00 0.00 178.16 176.70 1vre h ALA 135 N 1.49 0.62 0.22 3.88 0.00 -1.69 -0.38 119.26 123.40 1vre h ALA 135 Ca 0.54 -0.55 -0.32 0.00 0.00 0.00 0.00 54.91 54.58 1vre h ALA 135 Cb 1.95 -0.07 0.04 0.00 0.00 0.00 0.00 17.79 19.71 1vre h ALA 135 CO -0.08 0.71 -1.39 0.22 0.00 0.00 0.00 179.25 178.71 1vre h ASP 136 N 0.41 0.83 0.43 0.00 3.58 0.27 -0.11 116.42 121.83 1vre h ASP 136 Ca -0.01 -0.90 -0.02 0.00 0.42 0.00 0.00 57.03 56.52 1vre h ASP 136 Cb 1.19 -0.27 0.00 0.00 1.72 0.00 0.00 39.33 41.97 1vre h ASP 136 CO 0.12 1.67 -0.21 0.40 -2.88 0.00 0.00 179.24 178.34 1vre h ILE 137 N 0.13 0.43 0.00 2.25 5.03 -0.24 -1.00 117.51 124.11 1vre h ILE 137 Ca -0.24 -0.54 -0.06 0.00 -0.12 0.00 0.00 64.86 63.91 1vre h ILE 137 Cb 2.09 0.63 -0.01 0.00 -3.03 0.00 0.00 36.82 36.50 1vre h ILE 137 CO 0.26 0.08 -0.27 0.77 -0.68 0.00 0.00 178.15 178.31 1vre h SER 138 N -0.95 0.00 0.05 1.72 4.64 -1.20 -2.69 113.55 115.12 1vre h SER 138 Ca -0.06 0.00 -0.15 0.00 -0.47 0.00 0.00 61.79 61.11 1vre h SER 138 Cb 0.56 0.00 -0.01 0.00 -0.31 0.00 0.00 62.40 62.65 1vre h SER 138 CO 0.10 0.27 -0.53 1.23 -0.87 0.00 0.00 176.83 177.02 1vre h GLY 139 N 1.38 0.57 2.00 -0.77 0.00 -0.93 -2.70 103.07 102.62 1vre h GLY 139 Ca -0.00 -0.65 -0.01 0.00 0.00 0.00 0.00 47.33 46.67 1vre h GLY 139 CO 0.04 0.58 -0.05 0.00 0.00 0.00 0.00 176.54 177.11 1vre h ALA 140 N 1.01 1.09 0.00 3.60 0.00 -0.83 -1.33 119.26 122.81 1vre h ALA 140 Ca 0.01 -0.04 0.00 0.00 0.00 0.00 0.00 54.91 54.88 1vre h ALA 140 Cb 1.06 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.85 1vre h ALA 140 CO 0.10 0.06 -0.15 -0.11 0.00 0.00 0.00 179.25 179.15 1vre n LEU 141 N -3.28 0.48 0.00 0.00 0.00 -1.02 -3.02 117.00 110.17 1vre n LEU 141 Ca -0.01 0.44 0.11 0.00 0.00 0.00 0.00 56.01 56.54 1vre n LEU 141 Cb 0.22 -0.35 0.63 0.00 0.00 0.00 0.00 43.42 43.91 1vre n LEU 141 CO 0.26 -0.07 0.90 -0.38 0.00 0.00 0.00 177.39 178.10 1vre n ILE 142 N -1.89 0.00 -0.05 1.96 5.41 -0.50 -2.70 119.36 121.59 1vre n ILE 142 Ca 0.06 0.00 -0.22 0.00 1.00 0.00 0.00 62.75 63.59 1vre n ILE 142 Cb 0.39 -0.35 -0.13 0.00 -0.71 0.00 0.00 39.64 38.85 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 0.21 1.00 4.38 0.02 -1.70 -3.38 113.55 114.08 1vre h SER 143 Ca 0.00 -0.73 -0.20 0.00 -0.84 0.00 0.00 61.79 60.02 1vre h SER 143 Cb 0.00 -0.07 -0.03 0.00 0.14 0.00 0.00 62.40 62.44 1vre h SER 143 CO 0.00 1.68 -1.05 1.23 -1.14 0.00 0.00 176.83 177.55 1vre h GLY 144 N 0.02 0.00 0.00 -3.77 0.00 -1.56 -3.46 103.07 94.30 1vre h GLY 144 Ca -0.38 0.00 0.00 0.00 0.00 0.00 0.00 47.33 46.95 1vre h GLY 144 CO -0.06 0.00 0.00 -0.10 0.00 0.00 0.00 176.54 176.38 1vre n LEU 145 N -3.23 0.00 -3.87 3.11 7.94 -1.10 -2.11 117.00 117.74 1vre n LEU 145 Ca -0.03 0.00 -0.19 0.00 -1.11 0.00 0.00 56.01 54.68 1vre n LEU 145 Cb 0.91 0.00 0.01 0.00 0.53 0.00 0.00 43.42 44.86 1vre n LEU 145 CO 0.45 -0.84 -0.07 0.00 -1.11 0.00 0.00 177.39 175.82 1vre n GLN 146 N -0.67 -0.72 -0.35 1.96 10.64 -1.26 -4.71 117.38 122.28 1vre n GLN 146 Ca 0.00 -0.30 0.00 0.00 -1.83 0.00 0.00 57.00 54.87 1vre n GLN 146 Cb 0.00 -0.39 0.00 0.00 -0.86 0.00 0.00 30.24 28.99 1vre n GLN 146 CO 0.00 0.00 0.00 0.43 -1.83 0.00 0.00 177.06 175.66