#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 -0.69 -4.28 0.99 7.99 -1.26 -4.86 117.00 114.88 1vre n LEU 2 Ca 0.00 1.58 -0.16 0.00 -0.01 0.00 0.00 56.01 57.42 1vre n LEU 2 Cb 0.00 -4.03 -0.09 0.00 -0.11 0.00 0.00 43.42 39.18 1vre n LEU 2 CO 0.00 -2.47 -0.21 -0.94 -1.51 0.00 0.00 177.39 172.26 1vre s SER 3 N -6.32 1.06 0.40 -1.43 1.04 -1.26 -4.96 113.70 102.23 1vre s SER 3 Ca 0.00 -1.51 0.17 0.00 0.48 0.00 0.00 55.95 55.09 1vre s SER 3 Cb 0.00 0.38 0.84 0.00 0.10 0.00 0.00 66.02 67.35 1vre s SER 3 CO 0.00 -0.88 1.85 0.00 0.98 0.00 0.00 173.24 175.19 1vre h ALA 4 N 2.36 1.27 0.19 5.32 0.00 -1.98 0.15 119.26 126.56 1vre h ALA 4 Ca -0.34 -0.30 -0.29 0.00 0.00 0.00 0.00 54.91 53.98 1vre h ALA 4 Cb 1.25 -0.05 0.02 0.00 0.00 0.00 0.00 17.79 19.00 1vre h ALA 4 CO 0.51 0.41 -1.37 0.00 0.00 0.00 0.00 179.25 178.80 1vre h ALA 5 N 1.67 -0.02 -0.02 0.00 0.00 -2.00 -3.26 119.26 115.63 1vre h ALA 5 Ca -0.00 -0.92 -0.01 0.00 0.00 0.00 0.00 54.91 53.97 1vre h ALA 5 Cb 0.66 0.28 0.00 0.00 0.00 0.00 0.00 17.79 18.73 1vre h ALA 5 CO 0.04 0.71 -0.04 1.96 0.00 0.00 0.00 179.25 181.92 1vre h GLN 6 N -0.07 0.07 -1.12 0.00 4.20 -1.92 -2.18 115.11 114.09 1vre h GLN 6 Ca -0.26 -0.04 0.32 0.00 0.06 0.00 0.00 58.65 58.73 1vre h GLN 6 Cb 1.95 0.01 -0.05 0.00 0.30 0.00 0.00 27.48 29.68 1vre h GLN 6 CO 0.18 0.62 0.79 -0.09 -0.67 0.00 0.00 178.83 179.66 1vre h ARG 7 N -0.47 0.07 0.02 1.46 2.43 -0.86 -0.16 114.38 116.87 1vre h ARG 7 Ca 0.00 -0.00 -0.05 0.00 -0.81 0.00 0.00 59.98 59.12 1vre h ARG 7 Cb 0.61 -0.01 0.00 0.00 -0.42 0.00 0.00 29.97 30.15 1vre h ARG 7 CO 0.01 0.04 -0.23 1.96 -1.51 0.00 0.00 179.97 180.24 1vre h GLN 8 N 0.07 0.05 -0.42 0.20 1.08 -1.57 -3.25 115.11 111.27 1vre h GLN 8 Ca 0.55 -0.08 0.12 0.00 -1.45 0.00 0.00 58.65 57.79 1vre h GLN 8 Cb 2.06 0.03 -0.02 0.00 -0.05 0.00 0.00 27.48 29.50 1vre h GLN 8 CO -0.06 1.04 0.40 0.28 -0.95 0.00 0.00 178.83 179.53 1vre h VAL 9 N -0.90 0.47 0.27 -0.54 2.07 -0.43 -1.28 116.25 115.92 1vre h VAL 9 Ca -0.05 0.00 -0.01 0.00 0.82 0.00 0.00 66.70 67.45 1vre h VAL 9 Cb 1.13 0.70 0.00 0.00 -1.52 0.00 0.00 31.29 31.59 1vre h VAL 9 CO 0.01 0.00 -0.13 0.58 0.02 0.00 0.00 177.57 178.04 1vre h VAL 10 N 0.00 0.71 0.00 2.57 2.07 -1.22 -1.44 116.25 118.95 1vre h VAL 10 Ca 0.20 -0.72 0.00 0.00 0.82 0.00 0.00 66.70 66.99 1vre h VAL 10 Cb 0.99 1.07 0.00 0.00 -1.52 0.00 0.00 31.29 31.83 1vre h VAL 10 CO -0.00 0.14 0.00 0.00 0.02 0.00 0.00 177.57 177.73 1vre h ALA 11 N -0.25 1.00 0.00 1.67 0.00 -1.32 -1.16 119.26 119.19 1vre h ALA 11 Ca -0.04 0.00 -0.19 0.00 0.00 0.00 0.00 54.91 54.68 1vre h ALA 11 Cb 0.51 0.00 -0.03 0.00 0.00 0.00 0.00 17.79 18.27 1vre h ALA 11 CO 0.06 0.00 -1.26 1.03 0.00 0.00 0.00 179.25 179.08 1vre h SER 12 N 0.00 0.00 0.39 0.00 0.87 -1.02 -3.15 113.55 110.64 1vre h SER 12 Ca 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 61.79 60.56 1vre h SER 12 Cb 0.19 0.00 0.00 0.00 -0.44 0.00 0.00 62.40 62.15 1vre h SER 12 CO 0.00 0.73 -0.86 0.35 -0.53 0.00 0.00 176.83 176.52 1vre n THR 13 N -3.06 0.10 -0.01 2.23 -2.24 -0.56 -4.09 114.28 106.64 1vre n THR 13 Ca -0.08 -0.13 -0.06 0.00 -2.27 0.00 0.00 64.05 61.51 1vre n THR 13 Cb 0.89 0.35 -0.13 0.00 -2.10 0.00 0.00 70.33 69.34 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 -1.76 0.88 0.44 4.78 -0.00 -0.53 -2.97 117.44 118.28 1vre n TRP 14 Ca 0.03 0.31 0.11 0.00 -0.00 0.00 0.00 57.50 57.95 1vre n TRP 14 Cb 0.39 -1.13 0.46 0.00 -0.00 0.00 0.00 31.31 31.03 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 -2.95 0.16 -0.11 5.87 5.02 -1.19 -1.19 118.16 123.78 1vre n LYS 15 Ca -0.16 0.37 -0.20 0.00 -2.02 0.00 0.00 58.31 56.30 1vre n LYS 15 Cb 0.99 -1.80 -0.07 0.00 -0.02 0.00 0.00 35.03 34.13 1vre n LYS 15 CO 0.00 0.00 0.00 -0.25 -0.52 0.00 0.00 177.40 176.63 1vre n ASP 16 N -2.10 1.82 -0.11 4.39 8.00 -1.25 -3.46 116.55 123.84 1vre n ASP 16 Ca 0.03 0.31 -0.02 0.00 0.71 0.00 0.00 54.79 55.81 1vre n ASP 16 Cb 0.24 -0.73 0.21 0.00 -0.02 0.00 0.00 41.12 40.81 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 -0.92 1.22 -0.73 0.53 2.04 -1.60 -2.29 117.51 115.76 1vre h ILE 17 Ca -0.41 -0.81 -0.26 0.00 1.00 0.00 0.00 64.86 64.38 1vre h ILE 17 Cb 1.32 0.71 -0.16 0.00 -0.74 0.00 0.00 36.82 37.96 1vre h ILE 17 CO -0.25 0.30 0.30 0.00 0.00 0.00 0.00 178.15 178.50 1vre n ALA 18 N -2.46 4.68 -1.00 1.87 0.00 -0.33 -4.07 120.51 119.19 1vre n ALA 18 Ca 0.03 -2.53 0.00 0.00 0.00 0.00 0.00 53.44 50.94 1vre n ALA 18 Cb 0.23 -1.21 0.00 0.00 0.00 0.00 0.00 19.45 18.47 1vre n ALA 18 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1vre n GLY 19 N -0.47 -1.94 2.72 0.00 0.00 -0.86 -2.12 105.19 102.52 1vre n GLY 19 Ca 0.43 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 46.06 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 -0.48 7.42 0.00 1.61 3.41 -1.26 -4.25 113.62 120.06 1vre n SER 20 Ca 0.00 -3.65 0.00 0.00 -0.26 0.00 0.00 58.87 54.96 1vre n SER 20 Cb 0.00 -1.15 0.00 0.00 -0.26 0.00 0.00 64.21 62.80 1vre n SER 20 CO 0.00 0.00 0.00 -0.90 -0.16 0.00 0.00 175.04 173.98 1vre n ASP 21 N 0.01 0.00 -2.79 4.04 5.75 -1.26 -4.99 116.55 117.32 1vre n ASP 21 Ca 0.51 0.00 -0.19 0.00 -0.01 0.00 0.00 54.79 55.10 1vre n ASP 21 Cb 0.27 0.00 0.05 0.00 -1.03 0.00 0.00 41.12 40.41 1vre n ASP 21 CO 0.00 0.00 0.00 -3.20 -0.11 0.00 0.00 177.20 173.89 1vre n ASN 22 N -0.27 -5.47 -0.18 -1.12 5.15 -0.90 -2.14 115.26 110.34 1vre n ASN 22 Ca 0.00 -0.35 -0.02 0.00 -0.60 0.00 0.00 54.58 53.62 1vre n ASN 22 Cb 0.00 -4.18 -0.00 0.00 -0.53 0.00 0.00 39.78 35.07 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 -1.58 0.32 0.08 8.20 0.00 -1.26 -3.85 105.19 107.11 1vre n GLY 23 Ca -0.04 -0.84 -0.12 0.00 0.00 0.00 0.00 46.02 45.03 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 0.07 -0.06 0.00 4.61 0.00 -1.68 -3.17 119.26 119.03 1vre h ALA 24 Ca -0.04 -0.33 -0.06 0.00 0.00 0.00 0.00 54.91 54.49 1vre h ALA 24 Cb 0.94 0.02 -0.01 0.00 0.00 0.00 0.00 17.79 18.75 1vre h ALA 24 CO 0.05 -0.13 -0.27 0.78 0.00 0.00 0.00 179.25 179.68 1vre h GLY 25 N -0.86 0.00 2.00 0.00 0.00 -1.93 -3.04 103.07 99.24 1vre h GLY 25 Ca -0.01 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.32 1vre h GLY 25 CO 0.01 0.00 0.00 -2.08 0.00 0.00 0.00 176.54 174.47 1vre h VAL 26 N 0.00 0.00 0.03 4.60 2.07 -1.92 -2.22 116.25 118.81 1vre h VAL 26 Ca -0.00 -0.37 -0.31 0.00 0.82 0.00 0.00 66.70 66.84 1vre h VAL 26 Cb 1.09 1.36 -0.04 0.00 -1.52 0.00 0.00 31.29 32.18 1vre h VAL 26 CO 0.03 0.00 -1.70 0.61 0.02 0.00 0.00 177.57 176.53 1vre n GLY 27 N -0.26 -0.69 0.31 2.17 0.00 -1.15 -2.23 105.19 103.34 1vre n GLY 27 Ca -0.00 -0.04 0.20 0.00 0.00 0.00 0.00 46.02 46.18 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 -0.66 0.00 0.00 1.61 2.10 -1.51 0.24 116.57 118.35 1vre h LYS 28 Ca -0.43 0.00 -0.24 0.00 -2.00 0.00 0.00 60.65 57.98 1vre h LYS 28 Cb 1.57 0.00 -0.04 0.00 -0.90 0.00 0.00 32.23 32.86 1vre h LYS 28 CO -0.16 0.01 -2.18 -0.85 -2.00 0.00 0.00 179.45 174.28 1vre n GLU 29 N -3.18 0.67 -0.08 0.07 0.28 -0.84 -3.75 120.64 113.81 1vre n GLU 29 Ca -0.02 -0.05 -0.15 0.00 -0.16 0.00 0.00 57.16 56.78 1vre n GLU 29 Cb 0.15 -1.55 -0.10 0.00 1.43 0.00 0.00 31.44 31.38 1vre n GLU 29 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 177.13 176.97 1vre h PHE 31 N -1.00 0.50 -1.02 0.00 -1.00 -0.78 -1.52 116.94 112.13 1vre h PHE 31 Ca -0.15 0.01 0.26 0.00 2.81 0.00 0.00 57.97 60.90 1vre h PHE 31 Cb 0.99 -0.17 -0.09 0.00 3.61 0.00 0.00 35.95 40.30 1vre h PHE 31 CO 0.13 0.32 0.66 1.15 -1.61 0.00 0.00 178.31 178.97 1vre h THR 32 N 0.54 0.55 -0.00 -1.55 2.02 -1.69 0.30 112.91 113.07 1vre h THR 32 Ca 0.15 -0.13 -0.17 0.00 0.77 0.00 0.00 66.41 67.03 1vre h THR 32 Cb -0.06 0.14 0.01 0.00 -1.74 0.00 0.00 68.15 66.51 1vre h THR 32 CO -0.03 0.07 -0.65 0.11 0.37 0.00 0.00 175.52 175.39 1vre h LYS 33 N 0.38 0.45 0.31 6.66 1.57 -1.39 -2.13 116.57 122.41 1vre h LYS 33 Ca 0.57 -0.47 -0.02 0.00 -1.87 0.00 0.00 60.65 58.86 1vre h LYS 33 Cb 1.47 0.13 0.00 0.00 0.08 0.00 0.00 32.23 33.91 1vre h LYS 33 CO -0.26 1.13 -0.15 0.35 -0.57 0.00 0.00 179.45 179.95 1vre h PHE 34 N -0.04 -0.38 -0.81 -1.35 3.57 0.03 0.31 116.94 118.26 1vre h PHE 34 Ca -0.08 -0.01 0.06 0.00 3.53 0.00 0.00 57.97 61.47 1vre h PHE 34 Cb 1.35 0.13 -0.06 0.00 2.79 0.00 0.00 35.95 40.16 1vre h PHE 34 CO 0.14 -0.21 0.49 -0.07 -2.23 0.00 0.00 178.31 176.43 1vre h LEU 35 N -0.46 0.76 0.68 0.59 3.38 -0.64 1.32 115.31 120.94 1vre h LEU 35 Ca -0.04 0.02 -0.03 0.00 0.09 0.00 0.00 57.88 57.91 1vre h LEU 35 Cb 0.35 -0.14 0.01 0.00 0.09 0.00 0.00 40.66 40.97 1vre h LEU 35 CO 0.07 0.49 -0.33 -1.28 0.09 0.00 0.00 178.44 177.48 1vre h SER 36 N 0.89 -0.78 0.19 -0.43 0.87 -1.04 -2.96 113.55 110.30 1vre h SER 36 Ca 0.35 0.01 -0.02 0.00 -1.23 0.00 0.00 61.79 60.90 1vre h SER 36 Cb 0.18 0.20 -0.00 0.00 -0.44 0.00 0.00 62.40 62.34 1vre h SER 36 CO -0.18 -0.41 -0.09 0.00 -0.53 0.00 0.00 176.83 175.63 1vre h ALA 37 N -1.13 1.50 -3.80 6.23 0.00 -0.20 -3.37 119.26 118.48 1vre h ALA 37 Ca -0.09 -0.08 -0.66 0.00 0.00 0.00 0.00 54.91 54.07 1vre h ALA 37 Cb 0.72 -0.01 -0.38 0.00 0.00 0.00 0.00 17.79 18.12 1vre h ALA 37 CO 0.15 0.11 -0.79 -1.01 0.00 0.00 0.00 179.25 177.72 1vre s HIS 38 N -4.48 3.20 -0.23 0.00 3.76 0.45 -4.95 115.29 113.04 1vre s HIS 38 Ca -0.04 -2.34 0.21 0.00 -0.15 0.00 0.00 55.06 52.75 1vre s HIS 38 Cb 0.15 -2.02 0.01 0.00 1.11 0.00 0.00 32.58 31.83 1vre s HIS 38 CO 0.60 -0.87 1.07 0.45 -0.85 0.00 0.00 174.74 175.14 1vre h HIS 39 N 7.78 0.00 0.00 1.40 -0.00 -1.73 -3.28 115.15 119.32 1vre h HIS 39 Ca -0.17 0.00 0.00 0.00 -0.00 0.00 0.00 60.37 60.20 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 0.59 0.13 0.00 -0.40 -0.00 0.00 0.00 177.93 178.25 1vre n ASP 40 N -2.78 0.49 -0.01 2.45 5.75 -1.26 -2.17 116.55 119.02 1vre n ASP 40 Ca -0.01 0.64 0.08 0.00 -0.01 0.00 0.00 54.79 55.49 1vre n ASP 40 Cb 0.61 -0.73 -0.12 0.00 -1.03 0.00 0.00 41.12 39.85 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 -2.06 0.89 0.08 0.11 2.81 -1.24 -4.38 117.12 113.34 1vre n MET 41 Ca 0.02 -0.10 -0.07 0.00 -1.81 0.00 0.00 57.70 55.74 1vre n MET 41 Cb 0.18 -1.36 -0.04 0.00 -0.71 0.00 0.00 33.22 31.30 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 1.81 -0.82 -0.04 3.04 0.00 -1.50 0.53 119.26 122.28 1vre h ALA 42 Ca 0.00 -0.06 0.01 0.00 0.00 0.00 0.00 54.91 54.86 1vre h ALA 42 Cb 0.64 0.52 -0.00 0.00 0.00 0.00 0.00 17.79 18.95 1vre h ALA 42 CO 0.00 -0.85 0.12 0.00 0.00 0.00 0.00 179.25 178.52 1vre h ALA 43 N -1.31 1.32 0.04 0.00 0.00 -1.71 -0.14 119.26 117.46 1vre h ALA 43 Ca -0.01 -0.00 -0.25 0.00 0.00 0.00 0.00 54.91 54.64 1vre h ALA 43 Cb 0.31 0.00 0.01 0.00 0.00 0.00 0.00 17.79 18.11 1vre h ALA 43 CO -0.06 -0.14 -1.05 0.28 0.00 0.00 0.00 179.25 178.27 1vre h VAL 44 N 0.00 1.37 0.00 0.00 2.07 -1.25 -3.22 116.25 115.22 1vre h VAL 44 Ca 0.02 -2.49 -0.13 0.00 0.82 0.00 0.00 66.70 64.92 1vre h VAL 44 Cb 0.25 2.53 -0.02 0.00 -1.52 0.00 0.00 31.29 32.53 1vre h VAL 44 CO -0.00 0.75 -0.60 -0.26 0.02 0.00 0.00 177.57 177.47 1vre h PHE 45 N 0.25 0.00 0.00 1.57 -1.00 0.18 -3.40 116.94 114.54 1vre h PHE 45 Ca -0.12 0.00 0.00 0.00 2.81 0.00 0.00 57.97 60.66 1vre h PHE 45 Cb 1.71 0.00 0.00 0.00 3.61 0.00 0.00 35.95 41.27 1vre h PHE 45 CO 0.08 0.60 0.00 0.41 -1.61 0.00 0.00 178.31 177.79 1vre n GLY 46 N 0.84 1.87 3.59 -1.45 0.00 -0.65 -5.03 105.19 104.37 1vre n GLY 46 Ca 0.00 0.00 -0.27 0.00 0.00 0.00 0.00 46.02 45.75 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 2.10 -0.23 1.61 0.08 -0.91 -4.97 117.98 113.66 1vre s PHE 47 Ca 0.00 -0.91 0.11 0.00 0.12 0.00 0.00 56.93 56.25 1vre s PHE 47 Cb 0.00 -1.51 -0.16 0.00 -0.57 0.00 0.00 43.02 40.78 1vre s PHE 47 CO 0.00 0.16 0.35 0.45 -0.10 0.00 0.00 175.22 176.08 1vre n SER 48 N -1.02 1.60 -0.46 1.36 2.88 -1.26 -3.64 113.62 113.09 1vre n SER 48 Ca -0.08 -0.31 0.00 0.00 -1.33 0.00 0.00 58.87 57.15 1vre n SER 48 Cb 0.67 1.31 0.00 0.00 -0.75 0.00 0.00 64.21 65.44 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 1.61 1.19 1.94 0.46 0.00 -1.26 -4.95 105.19 104.17 1vre n GLY 49 Ca -0.00 -0.75 -0.19 0.00 0.00 0.00 0.00 46.02 45.08 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 -3.00 5.00 -2.10 4.61 0.00 -1.26 -4.05 120.51 119.71 1vre n ALA 50 Ca 0.00 -2.19 0.04 0.00 0.00 0.00 0.00 53.44 51.29 1vre n ALA 50 Cb 0.00 -1.39 0.06 0.00 0.00 0.00 0.00 19.45 18.12 1vre n ALA 50 CO 0.00 0.00 0.00 0.45 0.00 0.00 0.00 177.50 177.95 1vre n SER 51 N -0.54 0.99 -4.80 0.00 2.88 -1.26 -4.99 113.62 105.89 1vre n SER 51 Ca 0.43 -2.42 -0.30 0.00 -1.33 0.00 0.00 58.87 55.25 1vre n SER 51 Cb 1.12 -0.33 -0.06 0.00 -0.75 0.00 0.00 64.21 64.20 1vre n SER 51 CO 0.00 0.00 0.00 1.51 -1.23 0.00 0.00 175.04 175.32 1vre s ASP 52 N -2.04 5.69 0.00 -3.46 -4.77 -1.26 -4.98 116.67 105.86 1vre s ASP 52 Ca 0.26 0.04 0.24 0.00 -3.30 0.00 0.00 52.55 49.79 1vre s ASP 52 Cb 0.28 -1.58 1.34 0.00 -1.09 0.00 0.00 42.92 41.87 1vre s ASP 52 CO -0.09 0.17 1.78 -0.81 0.70 0.00 0.00 175.17 176.91 1vre n PRO 53 N 0.41 0.61 0.08 2.11 -0.04 -1.26 -3.09 135.00 133.81 1vre n PRO 53 Ca -0.08 0.02 -0.15 0.00 -0.04 0.00 0.00 63.50 63.26 1vre n PRO 53 Cb 0.52 -1.50 -0.08 0.00 -0.04 0.00 0.00 33.50 32.39 1vre n PRO 53 CO 0.00 0.00 0.00 0.78 -0.04 0.00 0.00 175.50 176.24 1vre h GLY 54 N 3.75 0.41 0.14 0.55 0.00 -1.93 -3.25 103.07 102.73 1vre h GLY 54 Ca 0.00 -0.82 0.14 0.00 0.00 0.00 0.00 47.33 46.65 1vre h GLY 54 CO 0.00 0.72 0.30 -2.08 0.00 0.00 0.00 176.54 175.48 1vre h VAL 55 N 0.17 0.65 0.00 4.60 2.07 -1.93 0.99 116.25 122.80 1vre h VAL 55 Ca -0.10 -0.15 0.00 0.00 0.82 0.00 0.00 66.70 67.26 1vre h VAL 55 Cb 1.74 0.17 0.00 0.00 -1.52 0.00 0.00 31.29 31.68 1vre h VAL 55 CO 0.18 0.08 0.00 0.00 0.02 0.00 0.00 177.57 177.85 1vre n ALA 56 N -2.51 1.90 -0.05 1.67 0.00 -1.23 -2.61 120.51 117.68 1vre n ALA 56 Ca 0.14 -0.08 -0.09 0.00 0.00 0.00 0.00 53.44 53.42 1vre n ALA 56 Cb 0.42 -1.29 -0.15 0.00 0.00 0.00 0.00 19.45 18.43 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 -1.36 0.50 -0.05 0.00 2.03 0.33 -3.70 116.55 114.31 1vre n ASP 57 Ca 0.07 0.24 -0.02 0.00 0.52 0.00 0.00 54.79 55.60 1vre n ASP 57 Cb 0.16 0.39 -0.01 0.00 -0.72 0.00 0.00 41.12 40.95 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 0.00 0.00 -1.94 -2.67 3.38 -1.08 -3.21 115.31 109.78 1vre h LEU 58 Ca -0.40 0.00 0.24 0.00 0.09 0.00 0.00 57.88 57.81 1vre h LEU 58 Cb 2.11 0.00 -0.04 0.00 0.09 0.00 0.00 40.66 42.83 1vre h LEU 58 CO 0.06 0.53 0.61 1.23 0.09 0.00 0.00 178.44 180.96 1vre h GLY 59 N -0.86 0.10 0.83 0.83 0.00 -1.73 0.39 103.07 102.64 1vre h GLY 59 Ca 0.00 -0.02 -0.01 0.00 0.00 0.00 0.00 47.33 47.30 1vre h GLY 59 CO 0.00 -0.00 -0.11 0.00 0.00 0.00 0.00 176.54 176.42 1vre h ALA 60 N 1.58 -0.32 -0.13 3.60 0.00 -1.68 -1.93 119.26 120.38 1vre h ALA 60 Ca 0.41 -0.13 -0.19 0.00 0.00 0.00 0.00 54.91 55.01 1vre h ALA 60 Cb 1.58 0.12 0.01 0.00 0.00 0.00 0.00 17.79 19.50 1vre h ALA 60 CO -0.03 -0.59 -0.64 0.87 0.00 0.00 0.00 179.25 178.86 1vre h LYS 61 N -0.49 0.67 0.07 0.00 1.57 -1.13 -3.14 116.57 114.12 1vre h LYS 61 Ca -0.03 -0.54 0.01 0.00 -1.87 0.00 0.00 60.65 58.21 1vre h LYS 61 Cb 0.37 0.11 -0.03 0.00 0.08 0.00 0.00 32.23 32.76 1vre h LYS 61 CO 0.05 1.16 -0.34 0.28 -0.57 0.00 0.00 179.45 180.03 1vre h VAL 62 N 0.34 0.00 -0.98 0.50 2.07 -0.30 -0.85 116.25 117.03 1vre h VAL 62 Ca -0.04 0.00 0.27 0.00 0.82 0.00 0.00 66.70 67.75 1vre h VAL 62 Cb 1.28 0.00 -0.13 0.00 -1.52 0.00 0.00 31.29 30.91 1vre h VAL 62 CO 0.13 0.00 0.53 -0.07 0.02 0.00 0.00 177.57 178.19 1vre h LEU 63 N -0.47 0.53 -1.14 2.57 3.38 -1.45 0.59 115.31 119.31 1vre h LEU 63 Ca -0.00 0.16 0.19 0.00 0.09 0.00 0.00 57.88 58.32 1vre h LEU 63 Cb 0.48 0.10 -0.10 0.00 0.09 0.00 0.00 40.66 41.24 1vre h LEU 63 CO -0.19 -0.02 0.61 0.00 0.09 0.00 0.00 178.44 178.94 1vre h ALA 64 N 1.78 1.81 -0.68 1.53 0.00 -1.10 0.22 119.26 122.81 1vre h ALA 64 Ca 0.66 0.06 -0.08 0.00 0.00 0.00 0.00 54.91 55.55 1vre h ALA 64 Cb 1.36 -0.08 -0.03 0.00 0.00 0.00 0.00 17.79 19.05 1vre h ALA 64 CO -0.54 -0.15 0.12 0.37 0.00 0.00 0.00 179.25 179.04 1vre h GLN 65 N 0.69 1.12 -0.43 0.00 5.75 0.51 -2.09 115.11 120.66 1vre h GLN 65 Ca 0.55 -0.29 -0.03 0.00 -0.15 0.00 0.00 58.65 58.73 1vre h GLN 65 Cb 0.95 -0.13 -0.02 0.00 1.07 0.00 0.00 27.48 29.35 1vre h GLN 65 CO -0.32 1.01 0.14 0.82 -2.65 0.00 0.00 178.83 177.83 1vre h ILE 66 N 1.05 1.18 0.27 2.39 2.04 -0.47 -0.55 117.51 123.41 1vre h ILE 66 Ca 0.21 -0.58 -0.01 0.00 1.00 0.00 0.00 64.86 65.47 1vre h ILE 66 Cb 0.43 0.70 0.00 0.00 -0.74 0.00 0.00 36.82 37.22 1vre h ILE 66 CO 0.01 0.22 -0.13 1.23 0.00 0.00 0.00 178.15 179.48 1vre h GLY 67 N 0.79 -0.38 1.99 5.37 0.00 -0.69 0.32 103.07 110.47 1vre h GLY 67 Ca 0.14 0.14 0.00 0.00 0.00 0.00 0.00 47.33 47.62 1vre h GLY 67 CO -0.01 -0.14 0.01 -2.08 0.00 0.00 0.00 176.54 174.32 1vre h VAL 68 N -0.65 0.42 0.00 4.60 2.07 -1.13 0.28 116.25 121.83 1vre h VAL 68 Ca -0.04 0.00 -0.12 0.00 0.82 0.00 0.00 66.70 67.37 1vre h VAL 68 Cb 0.46 0.99 -0.02 0.00 -1.52 0.00 0.00 31.29 31.20 1vre h VAL 68 CO 0.06 0.00 -0.96 0.00 0.02 0.00 0.00 177.57 176.69 1vre h ALA 69 N 1.99 0.66 0.00 1.67 0.00 -0.60 -3.26 119.26 119.72 1vre h ALA 69 Ca 0.00 -0.56 0.00 0.00 0.00 0.00 0.00 54.91 54.36 1vre h ALA 69 Cb 0.01 0.10 0.00 0.00 0.00 0.00 0.00 17.79 17.90 1vre h ALA 69 CO -0.00 0.65 0.00 0.28 0.00 0.00 0.00 179.25 180.18 1vre h VAL 70 N 0.00 0.00 -0.56 0.00 2.07 0.18 -2.97 116.25 114.97 1vre h VAL 70 Ca -0.08 -0.29 -0.35 0.00 0.82 0.00 0.00 66.70 66.80 1vre h VAL 70 Cb 1.41 1.12 -0.14 0.00 -1.52 0.00 0.00 31.29 32.16 1vre h VAL 70 CO 0.05 0.00 0.41 -1.20 0.02 0.00 0.00 177.57 176.84 1vre n SER 71 N -2.65 6.47 0.00 0.57 7.64 -1.18 -4.48 113.62 120.00 1vre n SER 71 Ca 0.01 -3.09 0.00 0.00 1.01 0.00 0.00 58.87 56.80 1vre n SER 71 Cb 0.22 -1.09 0.00 0.00 -1.01 0.00 0.00 64.21 62.33 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 0.45 -1.63 0.00 1.43 8.25 -1.12 -5.00 115.22 117.60 1vre n HIS 72 Ca 0.33 0.00 0.00 0.00 -0.26 0.00 0.00 57.72 57.79 1vre n HIS 72 Cb 0.58 0.33 0.00 0.00 1.12 0.00 0.00 29.99 32.01 1vre n HIS 72 CO 0.00 0.00 0.00 1.28 0.64 0.00 0.00 176.34 178.26 1vre n LEU 73 N -1.99 0.00 0.31 2.41 7.99 -1.22 -1.57 117.00 122.94 1vre n LEU 73 Ca 0.00 0.00 0.20 0.00 -0.01 0.00 0.00 56.01 56.20 1vre n LEU 73 Cb 0.00 0.00 1.06 0.00 -0.11 0.00 0.00 43.42 44.37 1vre n LEU 73 CO 0.00 0.00 1.16 1.23 -1.51 0.00 0.00 177.39 178.27 1vre h GLY 74 N 0.00 0.00 -7.26 -0.72 0.00 -1.94 -3.18 103.07 89.97 1vre h GLY 74 Ca 0.00 0.00 -0.80 0.00 0.00 0.00 0.00 47.33 46.53 1vre h GLY 74 CO 0.00 0.00 0.66 1.22 0.00 0.00 0.00 176.54 178.42 1vre n ASP 75 N -3.31 5.90 -0.36 0.19 8.00 -0.61 -4.78 116.55 121.58 1vre n ASP 75 Ca -0.02 -3.20 0.03 0.00 0.71 0.00 0.00 54.79 52.31 1vre n ASP 75 Cb 0.15 -1.34 0.09 0.00 -0.02 0.00 0.00 41.12 39.99 1vre n ASP 75 CO 0.00 0.00 0.00 -1.84 -0.39 0.00 0.00 177.20 174.97 1vre n GLU 76 N 2.20 1.45 0.16 -1.24 0.28 -1.20 -3.06 120.64 119.24 1vre n GLU 76 Ca 0.26 -0.70 0.05 0.00 -0.16 0.00 0.00 57.16 56.61 1vre n GLU 76 Cb 0.37 -1.15 0.09 0.00 1.43 0.00 0.00 31.44 32.18 1vre n GLU 76 CO 0.00 0.00 0.00 0.78 -0.16 0.00 0.00 177.13 177.75 1vre h GLY 77 N 5.57 0.00 0.00 -1.84 0.00 -1.92 -3.32 103.07 101.56 1vre h GLY 77 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.33 1vre h GLY 77 CO 0.00 0.00 -0.90 1.17 0.00 0.00 0.00 176.54 176.81 1vre n LYS 78 N -3.22 0.54 -0.33 4.80 4.81 -1.24 -4.53 118.16 118.99 1vre n LYS 78 Ca 0.02 0.00 0.17 0.00 -0.87 0.00 0.00 58.31 57.63 1vre n LYS 78 Cb 0.67 -0.95 0.40 0.00 0.02 0.00 0.00 35.03 35.17 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 0.57 0.00 1.64 4.05 -1.73 0.87 114.93 120.33 1vre h MET 79 Ca 0.00 -0.03 -0.04 0.00 -0.28 0.00 0.00 59.70 59.35 1vre h MET 79 Cb 0.90 -0.13 -0.01 0.00 -0.80 0.00 0.00 31.60 31.56 1vre h MET 79 CO 0.00 0.38 -0.18 0.28 0.23 0.00 0.00 176.91 177.62 1vre h VAL 80 N 0.59 0.37 0.16 -5.77 2.07 -1.84 -2.68 116.25 109.16 1vre h VAL 80 Ca 0.59 -1.16 0.01 0.00 0.82 0.00 0.00 66.70 66.96 1vre h VAL 80 Cb 1.17 1.88 -0.04 0.00 -1.52 0.00 0.00 31.29 32.77 1vre h VAL 80 CO -0.36 0.18 -0.46 0.00 0.02 0.00 0.00 177.57 176.94 1vre h ALA 81 N 1.82 -0.86 -0.04 1.67 0.00 0.54 1.46 119.26 123.86 1vre h ALA 81 Ca -0.00 -0.10 -0.15 0.00 0.00 0.00 0.00 54.91 54.66 1vre h ALA 81 Cb 0.86 0.76 0.01 0.00 0.00 0.00 0.00 17.79 19.42 1vre h ALA 81 CO 0.02 -1.05 -0.55 0.93 0.00 0.00 0.00 179.25 178.61 1vre h GLU 82 N -0.72 0.44 0.58 0.00 5.08 -1.61 -2.82 114.58 115.53 1vre h GLU 82 Ca 0.00 -0.42 -0.02 0.00 -1.00 0.00 0.00 59.36 57.92 1vre h GLU 82 Cb 0.73 0.11 -0.01 0.00 0.50 0.00 0.00 28.75 30.08 1vre h GLU 82 CO -0.24 1.07 -0.39 0.52 -1.00 0.00 0.00 179.01 178.98 1vre h MET 83 N -0.03 -0.89 -0.88 2.33 2.86 -1.30 -0.27 114.93 116.74 1vre h MET 83 Ca -0.06 0.06 0.23 0.00 -2.06 0.00 0.00 59.70 57.88 1vre h MET 83 Cb 1.23 0.20 -0.05 0.00 0.06 0.00 0.00 31.60 33.05 1vre h MET 83 CO 0.11 -0.59 0.61 -0.22 1.06 0.00 0.00 176.91 177.88 1vre h LYS 84 N -0.93 0.16 -0.27 1.72 3.64 0.20 0.18 116.57 121.27 1vre h LYS 84 Ca -0.07 -0.01 -0.09 0.00 -1.27 0.00 0.00 60.65 59.21 1vre h LYS 84 Cb 0.76 -0.04 -0.01 0.00 -0.41 0.00 0.00 32.23 32.54 1vre h LYS 84 CO 0.05 0.10 -0.18 0.00 -2.27 0.00 0.00 179.45 177.16 1vre h ALA 85 N 1.59 0.38 -0.99 5.00 0.00 -0.94 -2.95 119.26 121.35 1vre h ALA 85 Ca 0.44 -0.34 0.11 0.00 0.00 0.00 0.00 54.91 55.12 1vre h ALA 85 Cb 1.47 -0.09 -0.08 0.00 0.00 0.00 0.00 17.79 19.09 1vre h ALA 85 CO -0.08 0.30 0.62 0.28 0.00 0.00 0.00 179.25 180.36 1vre h VAL 86 N 0.32 0.93 -0.37 0.00 2.07 1.00 -0.79 116.25 119.40 1vre h VAL 86 Ca 0.05 -0.34 0.07 0.00 0.82 0.00 0.00 66.70 67.30 1vre h VAL 86 Cb 0.71 -0.14 -0.06 0.00 -1.52 0.00 0.00 31.29 30.27 1vre h VAL 86 CO 0.05 0.18 -0.03 1.23 0.02 0.00 0.00 177.57 179.02 1vre h GLY 87 N 0.99 0.34 0.36 2.17 0.00 -1.28 -0.97 103.07 104.68 1vre h GLY 87 Ca 0.48 0.07 0.07 0.00 0.00 0.00 0.00 47.33 47.95 1vre h GLY 87 CO -0.26 -0.11 -0.03 -2.08 0.00 0.00 0.00 176.54 174.07 1vre h VAL 88 N 0.07 0.69 -1.01 4.60 2.07 -1.12 0.76 116.25 122.32 1vre h VAL 88 Ca 0.18 -0.02 0.24 0.00 0.82 0.00 0.00 66.70 67.92 1vre h VAL 88 Cb 0.26 0.62 -0.10 0.00 -1.52 0.00 0.00 31.29 30.56 1vre h VAL 88 CO -0.33 0.01 0.64 0.03 0.02 0.00 0.00 177.57 177.94 1vre h ARG 89 N 0.07 0.49 0.00 1.57 -0.00 -0.80 1.27 114.38 116.97 1vre h ARG 89 Ca 0.18 -0.03 0.00 0.00 -0.50 0.00 0.00 59.98 59.63 1vre h ARG 89 Cb 0.26 -0.11 0.00 0.00 0.00 0.00 0.00 29.97 30.12 1vre h ARG 89 CO -0.33 0.32 0.00 0.72 0.00 0.00 0.00 179.97 180.68 1vre n HIS 90 N -4.68 0.00 0.83 3.04 8.25 0.25 -2.59 115.22 120.32 1vre n HIS 90 Ca 0.25 0.00 0.13 0.00 -0.26 0.00 0.00 57.72 57.84 1vre n HIS 90 Cb 0.78 -0.18 0.53 0.00 1.12 0.00 0.00 29.99 32.23 1vre n HIS 90 CO 0.00 0.00 0.00 0.36 0.64 0.00 0.00 176.34 177.34 1vre n LYS 91 N -1.18 0.08 -2.86 -0.41 2.85 0.44 -4.16 118.16 112.91 1vre n LYS 91 Ca 0.10 0.10 -0.12 0.00 -1.05 0.00 0.00 58.31 57.34 1vre n LYS 91 Cb 0.11 -1.60 0.05 0.00 -0.65 0.00 0.00 35.03 32.94 1vre n LYS 91 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 177.40 177.76 1vre n GLY 92 N 1.29 1.73 0.29 2.58 0.00 -1.07 -4.84 105.19 105.17 1vre n GLY 92 Ca 0.06 -0.66 -0.02 0.00 0.00 0.00 0.00 46.02 45.40 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 0.17 -3.60 0.25 1.61 4.02 -1.25 -4.83 117.16 113.52 1vre n TYR 93 Ca 0.11 -0.11 0.09 0.00 -0.01 0.00 0.00 57.90 57.98 1vre n TYR 93 Cb 0.72 -0.06 0.67 0.00 -0.02 0.00 0.00 39.34 40.64 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 -0.08 0.00 0.07 2.72 0.00 -1.95 -2.72 103.07 101.12 1vre h GLY 94 Ca -0.03 0.00 -0.37 0.00 0.00 0.00 0.00 47.33 46.93 1vre h GLY 94 CO 0.03 0.00 -2.37 1.16 0.00 0.00 0.00 176.54 175.36 1vre n ASN 95 N -4.46 0.62 0.00 0.19 6.94 -1.26 -4.97 115.26 112.32 1vre n ASN 95 Ca -0.02 -0.01 0.00 0.00 -0.02 0.00 0.00 54.58 54.53 1vre n ASN 95 Cb 0.12 0.52 0.00 0.00 -2.36 0.00 0.00 39.78 38.06 1vre n ASN 95 CO 0.00 0.00 0.00 2.29 -1.03 0.00 0.00 177.26 178.52 1vre n LYS 96 N -2.92 -0.90 0.00 -3.83 -0.00 -1.03 -4.87 118.16 104.61 1vre n LYS 96 Ca -0.36 0.23 0.00 0.00 -0.00 0.00 0.00 58.31 58.18 1vre n LYS 96 Cb 1.11 -4.09 0.00 0.00 -0.00 0.00 0.00 35.03 32.04 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 -2.28 0.00 -1.55 5.58 8.25 -1.26 -4.84 115.22 119.12 1vre n HIS 97 Ca 0.00 0.00 0.04 0.00 -0.26 0.00 0.00 57.72 57.50 1vre n HIS 97 Cb 0.23 0.00 -0.02 0.00 1.12 0.00 0.00 29.99 31.32 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 -0.28 -2.40 -3.70 1.59 5.41 -1.26 -4.99 119.36 113.73 1vre n ILE 98 Ca 0.00 1.30 -0.12 0.00 1.00 0.00 0.00 62.75 64.93 1vre n ILE 98 Cb 0.00 -2.13 -0.10 0.00 -0.71 0.00 0.00 39.64 36.70 1vre n ILE 98 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 176.55 176.01 1vre s LYS 99 N -5.17 0.52 0.00 0.38 3.01 -1.26 -5.01 119.74 112.22 1vre s LYS 99 Ca 0.00 0.77 0.18 0.00 -1.01 0.00 0.00 55.97 55.91 1vre s LYS 99 Cb 0.00 0.16 0.87 0.00 -1.01 0.00 0.00 37.83 37.85 1vre s LYS 99 CO 0.00 -0.11 1.57 0.00 0.51 0.00 0.00 175.35 177.32 1vre n ALA 100 N 3.47 1.92 0.19 5.17 0.00 -1.26 -2.35 120.51 127.66 1vre n ALA 100 Ca -0.18 -0.08 0.08 0.00 0.00 0.00 0.00 53.44 53.26 1vre n ALA 100 Cb 0.56 -1.30 0.27 0.00 0.00 0.00 0.00 19.45 18.99 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 0.00 0.00 0.00 0.00 4.11 -2.01 -2.99 114.58 113.69 1vre h GLU 101 Ca 0.00 0.00 -0.01 0.00 0.07 0.00 0.00 59.36 59.42 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 0.29 -0.57 1.88 0.07 0.00 0.00 179.01 180.68 1vre h TYR 102 N 0.00 0.00 0.55 2.06 0.05 -1.90 -3.35 116.97 114.37 1vre h TYR 102 Ca -0.00 0.00 -0.02 0.00 0.05 0.00 0.00 58.73 58.76 1vre h TYR 102 Cb 1.00 0.00 -0.01 0.00 1.01 0.00 0.00 36.73 38.73 1vre h TYR 102 CO 0.00 0.04 -0.46 0.74 -1.05 0.00 0.00 178.16 177.43 1vre h PHE 103 N 0.00 -1.25 0.10 4.88 -1.00 -1.62 0.48 116.94 118.53 1vre h PHE 103 Ca -0.01 0.00 0.02 0.00 2.81 0.00 0.00 57.97 60.80 1vre h PHE 103 Cb 1.03 0.47 -0.05 0.00 3.61 0.00 0.00 35.95 41.02 1vre h PHE 103 CO 0.00 -0.63 -0.43 0.93 -1.61 0.00 0.00 178.31 176.57 1vre h GLU 104 N -0.98 -0.62 0.05 1.51 5.08 -1.73 1.38 114.58 119.27 1vre h GLU 104 Ca -0.07 0.04 0.01 0.00 -1.00 0.00 0.00 59.36 58.34 1vre h GLU 104 Cb 0.82 0.14 -0.03 0.00 0.50 0.00 0.00 28.75 30.18 1vre h GLU 104 CO -0.01 -0.41 -0.34 -1.35 -1.00 0.00 0.00 179.01 175.89 1vre h PRO 105 N -0.65 -0.45 -0.23 2.33 0.11 -1.67 1.30 132.00 132.74 1vre h PRO 105 Ca 0.02 0.03 0.07 0.00 0.11 0.00 0.00 66.00 66.23 1vre h PRO 105 Cb 0.68 0.10 -0.01 0.00 0.11 0.00 0.00 31.00 31.88 1vre h PRO 105 CO -0.26 -0.30 0.22 1.25 -0.21 0.00 0.00 178.00 178.70 1vre h LEU 106 N -0.47 0.00 -0.01 2.35 7.12 0.19 -0.53 115.31 123.96 1vre h LEU 106 Ca -0.00 0.00 -0.10 0.00 0.13 0.00 0.00 57.88 57.91 1vre h LEU 106 Cb 0.48 0.00 0.01 0.00 -0.53 0.00 0.00 40.66 40.62 1vre h LEU 106 CO -0.20 0.00 -0.40 1.23 -0.13 0.00 0.00 178.44 178.94 1vre h GLY 107 N 0.00 0.32 0.92 3.75 0.00 0.47 -2.72 103.07 105.81 1vre h GLY 107 Ca 0.11 -0.54 -0.01 0.00 0.00 0.00 0.00 47.33 46.89 1vre h GLY 107 CO -0.00 0.48 -0.08 0.00 0.00 0.00 0.00 176.54 176.94 1vre h ALA 108 N 0.30 -0.23 -0.08 3.60 0.00 0.28 -1.17 119.26 121.95 1vre h ALA 108 Ca -0.05 -0.09 0.02 0.00 0.00 0.00 0.00 54.91 54.80 1vre h ALA 108 Cb 1.13 0.09 -0.00 0.00 0.00 0.00 0.00 17.79 19.01 1vre h ALA 108 CO 0.08 -0.59 0.20 1.03 0.00 0.00 0.00 179.25 179.97 1vre h SER 109 N -0.32 0.00 -0.07 0.00 0.87 -1.25 -1.25 113.55 111.53 1vre h SER 109 Ca -0.02 0.00 -0.02 0.00 -1.23 0.00 0.00 61.79 60.52 1vre h SER 109 Cb 0.25 0.00 -0.00 0.00 -0.44 0.00 0.00 62.40 62.21 1vre h SER 109 CO 0.04 0.00 -0.02 0.25 -0.53 0.00 0.00 176.83 176.57 1vre h LEU 110 N 0.00 0.15 -1.83 2.23 6.46 -0.87 -2.70 115.31 118.74 1vre h LEU 110 Ca 0.04 -0.37 0.16 0.00 -0.12 0.00 0.00 57.88 57.58 1vre h LEU 110 Cb 0.44 -0.04 -0.03 0.00 -0.73 0.00 0.00 40.66 40.30 1vre h LEU 110 CO -0.00 0.48 0.44 -0.07 -0.62 0.00 0.00 178.44 178.68 1vre h LEU 111 N -0.19 0.15 -0.03 2.25 3.38 -1.06 0.28 115.31 120.09 1vre h LEU 111 Ca 0.02 0.01 -0.00 0.00 0.09 0.00 0.00 57.88 57.99 1vre h LEU 111 Cb 0.42 -0.02 -0.00 0.00 0.09 0.00 0.00 40.66 41.15 1vre h LEU 111 CO 0.01 0.08 0.00 -1.28 0.09 0.00 0.00 178.44 177.34 1vre h SER 112 N 0.17 0.06 0.36 -0.43 0.87 -1.45 -3.03 113.55 110.09 1vre h SER 112 Ca 0.31 -0.29 -0.14 0.00 -1.23 0.00 0.00 61.79 60.44 1vre h SER 112 Cb 0.98 -0.02 -0.01 0.00 -0.44 0.00 0.00 62.40 62.92 1vre h SER 112 CO -0.05 0.33 -0.57 0.00 -0.53 0.00 0.00 176.83 176.02 1vre h ALA 113 N 0.72 0.90 -1.04 6.23 0.00 -1.01 -3.08 119.26 121.99 1vre h ALA 113 Ca 0.01 -0.52 0.28 0.00 0.00 0.00 0.00 54.91 54.68 1vre h ALA 113 Cb 0.30 -0.09 -0.12 0.00 0.00 0.00 0.00 17.79 17.89 1vre h ALA 113 CO 0.00 0.71 0.63 0.52 0.00 0.00 0.00 179.25 181.11 1vre h MET 114 N 0.17 0.43 0.00 0.00 2.07 -0.37 1.41 114.93 118.65 1vre h MET 114 Ca -0.00 -0.03 0.00 0.00 -2.07 0.00 0.00 59.70 57.60 1vre h MET 114 Cb 1.06 -0.10 0.00 0.00 -1.87 0.00 0.00 31.60 30.69 1vre h MET 114 CO 0.09 0.29 0.00 1.49 1.07 0.00 0.00 176.91 179.84 1vre h GLU 115 N 0.44 0.00 -0.58 1.72 4.81 -1.53 -2.65 114.58 116.79 1vre h GLU 115 Ca 0.66 0.00 -0.00 0.00 -0.13 0.00 0.00 59.36 59.89 1vre h GLU 115 Cb 1.49 0.00 -0.03 0.00 0.63 0.00 0.00 28.75 30.84 1vre h GLU 115 CO -0.44 0.00 0.35 0.45 -0.73 0.00 0.00 179.01 178.65 1vre h HIS 116 N 0.00 0.76 0.34 0.92 3.86 0.18 0.88 115.15 122.10 1vre h HIS 116 Ca 0.00 0.00 -0.02 0.00 -1.16 0.00 0.00 60.37 59.19 1vre h HIS 116 Cb 0.16 -0.25 0.00 0.00 1.06 0.00 0.00 27.41 28.38 1vre h HIS 116 CO 0.00 0.52 -0.17 -0.09 0.86 0.00 0.00 177.93 179.05 1vre h ARG 117 N 0.78 -0.44 -1.34 2.45 1.12 -1.59 -3.29 114.38 112.07 1vre h ARG 117 Ca 0.21 0.03 -0.48 0.00 -1.11 0.00 0.00 59.98 58.63 1vre h ARG 117 Cb -0.03 0.10 -0.20 0.00 -0.01 0.00 0.00 29.97 29.83 1vre h ARG 117 CO -0.04 -0.26 0.62 0.44 -3.11 0.00 0.00 179.97 177.62 1vre n ILE 118 N -5.08 3.16 -1.63 1.20 -5.35 -1.22 -4.96 119.36 105.48 1vre n ILE 118 Ca -0.06 -2.27 -0.50 0.00 -0.27 0.00 0.00 62.75 59.65 1vre n ILE 118 Cb 0.20 -1.27 -0.05 0.00 -1.74 0.00 0.00 39.64 36.77 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 -0.16 1.13 0.00 3.28 0.00 0.31 0.10 105.19 109.83 1vre n GLY 119 Ca 0.44 0.88 0.00 0.00 0.00 0.00 0.00 46.02 47.35 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 4.95 1.58 0.06 -0.02 0.00 -1.26 -4.83 105.19 105.68 1vre n GLY 120 Ca 0.28 -0.14 0.01 0.00 0.00 0.00 0.00 46.02 46.17 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 0.67 -1.93 1.61 5.02 0.11 -4.79 118.16 118.85 1vre n LYS 121 Ca 0.00 -0.07 -0.33 0.00 -2.02 0.00 0.00 58.31 55.89 1vre n LYS 121 Cb 0.00 -1.55 -0.04 0.00 -0.02 0.00 0.00 35.03 33.42 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 -3.02 2.44 0.13 1.97 1.75 -0.77 -4.91 119.30 116.88 1vre s MET 122 Ca -0.08 0.46 0.02 0.00 -1.25 0.00 0.00 55.69 54.84 1vre s MET 122 Cb 0.10 -4.64 0.02 0.00 2.84 0.00 0.00 34.83 33.15 1vre s MET 122 CO 0.86 -3.14 0.17 0.27 -0.65 0.00 0.00 175.02 172.53 1vre n ASN 123 N 14.08 0.53 0.15 1.11 6.94 -1.26 -4.87 115.26 131.93 1vre n ASN 123 Ca 0.31 -1.34 -0.14 0.00 -0.02 0.00 0.00 54.58 53.39 1vre n ASN 123 Cb 0.50 -0.09 -0.07 0.00 -2.36 0.00 0.00 39.78 37.77 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 0.44 -0.36 -0.26 -2.53 0.00 -1.99 -0.65 119.26 113.91 1vre h ALA 124 Ca -0.06 -0.06 0.08 0.00 0.00 0.00 0.00 54.91 54.86 1vre h ALA 124 Cb 0.27 0.21 -0.01 0.00 0.00 0.00 0.00 17.79 18.26 1vre h ALA 124 CO 0.09 -0.71 0.33 0.00 0.00 0.00 0.00 179.25 178.95 1vre h ALA 125 N 0.39 1.88 0.08 0.00 0.00 -1.96 0.93 119.26 120.58 1vre h ALA 125 Ca -0.01 -0.01 -0.00 0.00 0.00 0.00 0.00 54.91 54.88 1vre h ALA 125 Cb 0.33 0.02 0.00 0.00 0.00 0.00 0.00 17.79 18.14 1vre h ALA 125 CO -0.00 -0.46 -0.04 0.00 0.00 0.00 0.00 179.25 178.75 1vre h ALA 126 N 1.60 -0.11 -0.01 0.00 0.00 -1.50 0.77 119.26 120.01 1vre h ALA 126 Ca 0.13 -0.26 -0.11 0.00 0.00 0.00 0.00 54.91 54.67 1vre h ALA 126 Cb 0.78 0.04 -0.01 0.00 0.00 0.00 0.00 17.79 18.59 1vre h ALA 126 CO -0.00 -0.16 -0.50 1.57 0.00 0.00 0.00 179.25 180.16 1vre h LYS 127 N -0.91 0.02 0.05 0.00 2.10 -0.36 -1.75 116.57 115.72 1vre h LYS 127 Ca -0.01 -0.01 -0.27 0.00 -2.00 0.00 0.00 60.65 58.36 1vre h LYS 127 Cb 0.56 0.00 0.02 0.00 -0.90 0.00 0.00 32.23 31.91 1vre h LYS 127 CO 0.02 0.51 -1.10 0.22 -2.00 0.00 0.00 179.45 177.10 1vre h ASP 128 N 0.02 0.75 -0.35 7.07 1.82 0.78 0.11 116.42 126.62 1vre h ASP 128 Ca -0.00 -0.65 -0.07 0.00 -0.39 0.00 0.00 57.03 55.92 1vre h ASP 128 Cb 0.89 -0.23 -0.01 0.00 0.68 0.00 0.00 39.33 40.65 1vre h ASP 128 CO 0.07 1.46 -0.05 0.00 -1.61 0.00 0.00 179.24 179.11 1vre h ALA 129 N 0.48 0.48 -0.01 -0.78 0.00 -0.70 -2.87 119.26 115.86 1vre h ALA 129 Ca -0.14 -0.28 -0.19 0.00 0.00 0.00 0.00 54.91 54.31 1vre h ALA 129 Cb 1.76 -0.13 -0.01 0.00 0.00 0.00 0.00 17.79 19.42 1vre h ALA 129 CO 0.20 0.29 -0.83 -1.49 0.00 0.00 0.00 179.25 177.42 1vre h TRP 130 N 0.45 0.32 -0.99 0.00 4.06 -1.38 -1.70 115.95 116.72 1vre h TRP 130 Ca 0.09 -0.17 0.17 0.00 2.06 0.00 0.00 58.89 61.05 1vre h TRP 130 Cb 0.53 -0.04 -0.09 0.00 -1.00 0.00 0.00 29.16 28.56 1vre h TRP 130 CO 0.04 0.95 0.61 0.00 -3.56 0.00 0.00 178.44 176.49 1vre h ALA 131 N 0.99 1.71 0.00 1.49 0.00 -0.60 1.48 119.26 124.33 1vre h ALA 131 Ca -0.04 0.05 -0.08 0.00 0.00 0.00 0.00 54.91 54.84 1vre h ALA 131 Cb 1.44 -0.11 -0.01 0.00 0.00 0.00 0.00 17.79 19.10 1vre h ALA 131 CO 0.13 -0.03 -1.00 0.00 0.00 0.00 0.00 179.25 178.35 1vre h ALA 132 N 1.61 0.63 0.00 0.00 0.00 -1.43 -3.21 119.26 116.87 1vre h ALA 132 Ca 0.54 -0.40 0.00 0.00 0.00 0.00 0.00 54.91 55.05 1vre h ALA 132 Cb 0.81 0.10 0.00 0.00 0.00 0.00 0.00 17.79 18.70 1vre h ALA 132 CO -0.31 0.45 -0.12 0.00 0.00 0.00 0.00 179.25 179.27 1vre h ALA 133 N 1.70 0.00 -0.33 0.00 0.00 0.34 -2.91 119.26 118.06 1vre h ALA 133 Ca -0.07 -0.14 0.10 0.00 0.00 0.00 0.00 54.91 54.80 1vre h ALA 133 Cb 1.29 0.12 -0.01 0.00 0.00 0.00 0.00 17.79 19.18 1vre h ALA 133 CO 0.03 0.12 0.49 0.10 0.00 0.00 0.00 179.25 179.99 1vre h TYR 134 N -0.68 0.00 0.04 0.00 -0.00 0.17 0.68 116.97 117.18 1vre h TYR 134 Ca 0.00 0.00 -0.25 0.00 0.00 0.00 0.00 58.73 58.48 1vre h TYR 134 Cb 0.12 0.00 0.01 0.00 0.00 0.00 0.00 36.73 36.86 1vre h TYR 134 CO -0.05 0.00 -1.05 0.00 -0.00 0.00 0.00 178.16 177.06 1vre h ALA 135 N 1.33 0.24 0.17 0.10 0.00 -1.64 -2.20 119.26 117.25 1vre h ALA 135 Ca 0.16 -0.74 -0.31 0.00 0.00 0.00 0.00 54.91 54.02 1vre h ALA 135 Cb 1.14 0.01 0.03 0.00 0.00 0.00 0.00 17.79 18.98 1vre h ALA 135 CO -0.00 0.80 -1.32 0.22 0.00 0.00 0.00 179.25 178.95 1vre h ASP 136 N 0.23 0.76 0.44 0.00 3.58 0.39 -1.57 116.42 120.25 1vre h ASP 136 Ca -0.11 -0.76 -0.02 0.00 0.42 0.00 0.00 57.03 56.56 1vre h ASP 136 Cb 1.70 -0.24 0.00 0.00 1.72 0.00 0.00 39.33 42.51 1vre h ASP 136 CO 0.19 1.58 -0.21 0.40 -2.88 0.00 0.00 179.24 178.32 1vre h ILE 137 N 0.19 0.56 0.00 2.25 5.03 -0.58 0.23 117.51 125.19 1vre h ILE 137 Ca -0.20 -0.20 0.00 0.00 -0.12 0.00 0.00 64.86 64.34 1vre h ILE 137 Cb 2.01 0.66 0.00 0.00 -3.03 0.00 0.00 36.82 36.46 1vre h ILE 137 CO 0.24 0.04 0.00 0.77 -0.68 0.00 0.00 178.15 178.52 1vre h SER 138 N -0.71 0.00 0.54 1.72 4.64 -1.51 -2.58 113.55 115.66 1vre h SER 138 Ca -0.06 0.00 -0.29 0.00 -0.47 0.00 0.00 61.79 60.97 1vre h SER 138 Cb 0.51 0.00 -0.00 0.00 -0.31 0.00 0.00 62.40 62.60 1vre h SER 138 CO 0.10 0.00 -1.40 1.23 -0.87 0.00 0.00 176.83 175.89 1vre h GLY 139 N 1.78 0.29 2.00 -0.77 0.00 -0.61 -3.27 103.07 102.50 1vre h GLY 139 Ca 0.00 -0.74 -0.06 0.00 0.00 0.00 0.00 47.33 46.53 1vre h GLY 139 CO 0.00 0.65 -0.29 0.00 0.00 0.00 0.00 176.54 176.90 1vre h ALA 140 N 0.55 1.08 0.00 3.60 0.00 -0.16 -2.44 119.26 121.89 1vre h ALA 140 Ca -0.19 -0.26 0.00 0.00 0.00 0.00 0.00 54.91 54.46 1vre h ALA 140 Cb 1.99 -0.05 0.00 0.00 0.00 0.00 0.00 17.79 19.74 1vre h ALA 140 CO 0.18 0.36 0.00 1.25 0.00 0.00 0.00 179.25 181.04 1vre h LEU 141 N 0.00 0.00 -1.63 0.00 6.46 -1.56 -2.83 115.31 115.75 1vre h LEU 141 Ca -0.00 0.00 0.00 0.00 -0.12 0.00 0.00 57.88 57.76 1vre h LEU 141 Cb 0.74 0.00 0.00 0.00 -0.73 0.00 0.00 40.66 40.67 1vre h LEU 141 CO 0.04 0.00 0.00 -0.38 -0.62 0.00 0.00 178.44 177.48 1vre n ILE 142 N -2.54 0.81 -0.08 4.05 2.08 -0.92 -3.48 119.36 119.29 1vre n ILE 142 Ca 0.03 -0.50 -0.23 0.00 0.56 0.00 0.00 62.75 62.61 1vre n ILE 142 Cb 0.34 -0.13 -0.12 0.00 -0.75 0.00 0.00 39.64 38.98 1vre n ILE 142 CO 0.00 0.00 0.00 -0.24 0.56 0.00 0.00 176.55 176.87 1vre n SER 143 N 0.32 1.99 0.13 4.38 2.88 -1.07 -4.32 113.62 117.93 1vre n SER 143 Ca 0.11 0.25 0.05 0.00 -1.33 0.00 0.00 58.87 57.96 1vre n SER 143 Cb 0.47 -0.83 0.03 0.00 -0.75 0.00 0.00 64.21 63.13 1vre n SER 143 CO 0.00 0.00 0.00 1.23 -1.23 0.00 0.00 175.04 175.04 1vre h GLY 144 N 0.15 0.00 0.00 0.46 0.00 -1.67 -3.46 103.07 98.54 1vre h GLY 144 Ca -0.47 0.00 0.00 0.00 0.00 0.00 0.00 47.33 46.86 1vre h GLY 144 CO -0.13 0.00 0.00 -0.10 0.00 0.00 0.00 176.54 176.31 1vre n LEU 145 N -3.03 0.00 -3.33 3.11 0.00 -1.24 -3.52 117.00 109.00 1vre n LEU 145 Ca -0.01 0.00 -0.12 0.00 0.00 0.00 0.00 56.01 55.88 1vre n LEU 145 Cb 0.69 0.00 0.02 0.00 0.00 0.00 0.00 43.42 44.12 1vre n LEU 145 CO 0.40 -1.32 0.12 0.00 0.00 0.00 0.00 177.39 176.59 1vre n GLN 146 N -1.48 -1.49 0.00 1.96 6.02 -1.26 -4.79 117.38 116.35 1vre n GLN 146 Ca 0.00 1.09 0.00 0.00 -0.01 0.00 0.00 57.00 58.08 1vre n GLN 146 Cb 0.00 -4.88 0.00 0.00 1.02 0.00 0.00 30.24 26.38 1vre n GLN 146 CO 0.00 0.00 0.00 -1.13 -1.01 0.00 0.00 177.06 174.92