#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3dav h TRP 2 N 0.00 0.28 -0.60 7.33 4.06 -2.01 -2.90 115.95 122.12 3dav h TRP 2 Ca 0.00 -0.06 -0.04 0.00 2.06 0.00 0.00 58.89 60.85 3dav h TRP 2 Cb 0.00 -0.07 -0.03 0.00 -1.00 0.00 0.00 29.16 28.06 3dav h TRP 2 CO 0.00 0.55 0.21 0.37 -3.56 0.00 0.00 178.44 176.01 3dav h GLN 3 N 0.22 0.88 -0.42 0.49 5.75 -1.94 -2.30 115.11 117.79 3dav h GLN 3 Ca 0.03 -0.15 -0.01 0.00 -0.15 0.00 0.00 58.65 58.36 3dav h GLN 3 Cb 0.67 -0.15 -0.02 0.00 1.07 0.00 0.00 27.48 29.06 3dav h GLN 3 CO 0.05 0.75 0.21 0.00 -2.65 0.00 0.00 178.83 177.19 3dav h ALA 4 N 1.37 1.58 -0.49 3.38 0.00 -1.94 0.10 119.26 123.26 3dav h ALA 4 Ca 0.20 -0.08 -0.10 0.00 0.00 0.00 0.00 54.91 54.92 3dav h ALA 4 Cb 0.21 -0.18 -0.02 0.00 0.00 0.00 0.00 17.79 17.81 3dav h ALA 4 CO -0.01 0.35 -0.10 1.88 0.00 0.00 0.00 179.25 181.36 3dav h TYR 5 N 0.59 1.04 0.15 0.00 0.05 -1.34 -0.38 116.97 117.08 3dav h TYR 5 Ca 0.15 -0.22 -0.01 0.00 0.05 0.00 0.00 58.73 58.70 3dav h TYR 5 Cb 0.05 -0.26 0.00 0.00 1.01 0.00 0.00 36.73 37.54 3dav h TYR 5 CO 0.00 1.00 -0.07 0.28 -1.05 0.00 0.00 178.16 178.32 3dav h VAL 6 N 0.78 0.97 0.43 -2.88 2.07 -0.99 -1.62 116.25 115.01 3dav h VAL 6 Ca 0.12 -0.56 -0.02 0.00 0.82 0.00 0.00 66.70 67.07 3dav h VAL 6 Cb 0.66 1.31 0.00 0.00 -1.52 0.00 0.00 31.29 31.74 3dav h VAL 6 CO 0.05 0.13 -0.21 0.44 0.02 0.00 0.00 177.57 178.00 3dav h ASP 7 N -0.48 -0.49 0.00 0.57 3.32 -0.86 -0.61 116.42 117.87 3dav h ASP 7 Ca -0.02 -0.05 -0.00 0.00 0.02 0.00 0.00 57.03 56.98 3dav h ASP 7 Cb 0.37 0.13 0.00 0.00 0.22 0.00 0.00 39.33 40.05 3dav h ASP 7 CO 0.03 -0.06 -0.02 0.74 -1.72 0.00 0.00 179.24 178.21 3dav h THR 8 N -1.10 1.66 0.15 0.35 2.02 -1.22 0.75 112.91 115.52 3dav h THR 8 Ca -0.06 -1.97 -0.30 0.00 0.77 0.00 0.00 66.41 64.85 3dav h THR 8 Cb 0.51 3.00 0.01 0.00 -1.74 0.00 0.00 68.15 69.92 3dav h THR 8 CO 0.10 0.51 -1.40 0.28 0.37 0.00 0.00 175.52 175.38 3dav h SER 9 N -0.82 0.48 0.00 4.18 0.02 -1.41 -3.10 113.55 112.90 3dav h SER 9 Ca -0.00 -0.57 0.00 0.00 -0.84 0.00 0.00 61.79 60.38 3dav h SER 9 Cb 0.85 -0.16 0.00 0.00 0.14 0.00 0.00 62.40 63.23 3dav h SER 9 CO 0.00 1.46 -0.26 0.18 -1.14 0.00 0.00 176.83 177.07 3dav n LEU 10 N -3.53 0.58 -0.12 5.07 4.77 -0.66 -4.39 117.00 118.72 3dav n LEU 10 Ca -0.13 0.18 0.05 0.00 -0.03 0.00 0.00 56.01 56.08 3dav n LEU 10 Cb 1.05 -0.58 0.37 0.00 -2.33 0.00 0.00 43.42 41.92 3dav n LEU 10 CO 0.54 -0.45 1.20 -0.07 -1.33 0.00 0.00 177.39 177.28 3dav h LEU 11 N -0.30 0.62 -0.04 2.23 3.38 -1.14 -2.53 115.31 117.51 3dav h LEU 11 Ca 0.00 -0.01 0.00 0.00 0.09 0.00 0.00 57.88 57.96 3dav h LEU 11 Cb 0.26 -0.14 0.00 0.00 0.09 0.00 0.00 40.66 40.87 3dav h LEU 11 CO 0.00 0.42 0.00 0.61 0.09 0.00 0.00 178.44 179.56 3dav n GLY 12 N -1.46 -0.83 0.22 0.83 0.00 0.25 -2.09 105.19 102.12 3dav n GLY 12 Ca 0.08 -0.02 0.10 0.00 0.00 0.00 0.00 46.02 46.18 3dav n GLY 12 CO 0.00 0.00 0.00 -0.91 0.00 0.00 0.00 173.32 172.41 3dav h THR 13 N 0.00 0.38 0.00 2.61 1.35 -1.62 -3.48 112.91 112.16 3dav h THR 13 Ca 0.00 -1.20 0.00 0.00 -0.55 0.00 0.00 66.41 64.66 3dav h THR 13 Cb 0.16 1.91 0.00 0.00 -1.73 0.00 0.00 68.15 68.49 3dav h THR 13 CO 0.00 0.18 0.00 0.61 -0.25 0.00 0.00 175.52 176.06 3dav n GLY 14 N 0.57 0.86 0.00 5.82 0.00 -0.89 -4.86 105.19 106.69 3dav n GLY 14 Ca 0.01 0.00 0.02 0.00 0.00 0.00 0.00 46.02 46.05 3dav n GLY 14 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 3dav n LYS 15 N -2.25 4.93 -3.98 1.61 4.76 -1.26 -4.93 118.16 117.03 3dav n LYS 15 Ca 0.00 -0.01 -0.30 0.00 -2.87 0.00 0.00 58.31 55.14 3dav n LYS 15 Cb 0.00 -0.73 -0.16 0.00 -1.84 0.00 0.00 35.03 32.29 3dav n LYS 15 CO 0.00 0.00 0.00 0.42 -1.37 0.00 0.00 177.40 176.45 3dav s ILE 16 N -1.48 1.49 -0.33 -0.18 1.01 -1.26 -4.40 121.20 116.04 3dav s ILE 16 Ca 0.01 -0.73 0.23 0.00 0.00 0.00 0.00 60.65 60.15 3dav s ILE 16 Cb 0.03 -1.50 -0.13 0.00 0.01 0.00 0.00 42.46 40.87 3dav s ILE 16 CO 0.15 0.31 0.89 -0.90 0.00 0.00 0.00 174.94 175.39 3dav n ASP 17 N 4.77 0.54 -3.80 3.58 5.75 -0.69 -4.15 116.55 122.54 3dav n ASP 17 Ca -0.15 0.02 -0.13 0.00 -0.01 0.00 0.00 54.79 54.53 3dav n ASP 17 Cb 0.49 0.99 -0.12 0.00 -1.03 0.00 0.00 41.12 41.44 3dav n ASP 17 CO 0.00 0.00 0.00 -0.13 -0.11 0.00 0.00 177.20 176.96 3dav s ARG 18 N -3.34 0.25 0.07 0.11 0.52 -1.20 -5.03 118.95 110.34 3dav s ARG 18 Ca -0.01 0.26 -0.12 0.00 -0.52 0.00 0.00 55.73 55.34 3dav s ARG 18 Cb 0.13 0.12 0.01 0.00 0.52 0.00 0.00 34.95 35.73 3dav s ARG 18 CO 0.83 -0.03 0.28 0.00 0.02 0.00 0.00 175.30 176.39 3dav s ALA 19 N 0.05 -0.57 0.04 2.13 0.00 -1.26 -0.22 121.76 121.93 3dav s ALA 19 Ca -0.01 -0.19 -0.05 0.00 0.00 0.00 0.00 51.96 51.71 3dav s ALA 19 Cb -0.02 0.41 -0.01 0.00 0.00 0.00 0.00 23.12 23.50 3dav s ALA 19 CO 0.00 -0.46 0.10 0.00 0.00 0.00 0.00 175.76 175.40 3dav s ALA 20 N -3.05 -0.04 -0.14 0.00 0.00 -0.11 -0.89 121.76 117.52 3dav s ALA 20 Ca -0.01 -0.59 0.02 0.00 0.00 0.00 0.00 51.96 51.37 3dav s ALA 20 Cb 0.01 0.27 0.02 0.00 0.00 0.00 0.00 23.12 23.41 3dav s ALA 20 CO -0.06 -0.34 -0.18 0.42 0.00 0.00 0.00 175.76 175.60 3dav s ILE 21 N -2.78 1.82 0.14 0.00 1.01 0.48 -0.26 121.20 121.61 3dav s ILE 21 Ca -0.03 -0.82 0.09 0.00 0.00 0.00 0.00 60.65 59.89 3dav s ILE 21 Cb -0.00 -1.65 -0.04 0.00 0.01 0.00 0.00 42.46 40.78 3dav s ILE 21 CO -0.05 0.50 -0.21 0.68 0.00 0.00 0.00 174.94 175.86 3dav s VAL 22 N 1.08 1.87 0.51 2.92 -7.23 -0.34 -0.96 120.40 118.25 3dav s VAL 22 Ca -0.02 -1.76 -0.21 0.00 -1.81 0.00 0.00 61.98 58.18 3dav s VAL 22 Cb -0.14 -1.76 -0.08 0.00 0.56 0.00 0.00 36.38 34.95 3dav s VAL 22 CO -0.06 -0.15 0.93 -0.24 -0.31 0.00 0.00 175.10 175.28 3dav n SER 23 N 0.68 0.79 0.18 4.85 2.88 -0.43 0.04 113.62 122.61 3dav n SER 23 Ca -0.16 0.90 0.04 0.00 -1.33 0.00 0.00 58.87 58.32 3dav n SER 23 Cb 0.55 -1.35 0.32 0.00 -0.75 0.00 0.00 64.21 62.98 3dav n SER 23 CO 0.00 0.00 0.00 -0.09 -1.23 0.00 0.00 175.04 173.72 3dav h ARG 24 N 0.95 0.00 0.00 -1.46 1.12 -1.60 -2.12 114.38 111.28 3dav h ARG 24 Ca -0.46 0.00 0.00 0.00 -1.11 0.00 0.00 59.98 58.41 3dav h ARG 24 Cb 1.36 0.00 0.00 0.00 -0.01 0.00 0.00 29.97 31.32 3dav h ARG 24 CO 0.53 0.42 0.00 0.00 -3.11 0.00 0.00 179.97 177.81 3dav n ALA 25 N -2.35 2.19 -1.37 2.80 0.00 -1.26 -4.75 120.51 115.77 3dav n ALA 25 Ca -0.01 -0.03 -0.02 0.00 0.00 0.00 0.00 53.44 53.38 3dav n ALA 25 Cb 0.50 -1.45 -0.01 0.00 0.00 0.00 0.00 19.45 18.50 3dav n ALA 25 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3dav n GLY 26 N 1.15 0.46 0.40 0.00 0.00 -0.80 -4.86 105.19 101.55 3dav n GLY 26 Ca 0.05 -0.93 0.12 0.00 0.00 0.00 0.00 46.02 45.26 3dav n GLY 26 CO 0.00 0.00 0.00 2.09 0.00 0.00 0.00 173.32 175.41 3dav n ASP 27 N 1.64 1.64 -3.54 1.61 5.75 -1.26 -3.46 116.55 118.93 3dav n ASP 27 Ca -0.02 -1.28 -0.07 0.00 -0.01 0.00 0.00 54.79 53.41 3dav n ASP 27 Cb 0.21 0.33 -0.02 0.00 -1.03 0.00 0.00 41.12 40.62 3dav n ASP 27 CO 0.00 0.00 0.00 -0.94 -0.11 0.00 0.00 177.20 176.15 3dav s SER 28 N -2.48 -0.31 -0.29 -1.12 1.04 -1.26 -5.05 113.70 104.24 3dav s SER 28 Ca 0.21 -0.03 -0.14 0.00 0.48 0.00 0.00 55.95 56.47 3dav s SER 28 Cb 0.19 0.35 -0.03 0.00 0.10 0.00 0.00 66.02 66.62 3dav s SER 28 CO 0.55 -0.58 0.32 -0.69 0.98 0.00 0.00 173.24 173.81 3dav s VAL 29 N -3.02 5.21 0.06 5.02 1.01 -1.26 -1.32 120.40 126.10 3dav s VAL 29 Ca 0.06 0.33 0.07 0.00 0.00 0.00 0.00 61.98 62.45 3dav s VAL 29 Cb -0.01 -3.68 -0.23 0.00 0.00 0.00 0.00 36.38 32.47 3dav s VAL 29 CO -0.07 0.13 1.05 -0.50 0.00 0.00 0.00 175.10 175.70 3dav h TRP 30 N 8.30 0.07 -1.76 5.22 6.55 -1.39 -3.48 115.95 129.46 3dav h TRP 30 Ca -0.32 -0.05 0.02 0.00 0.95 0.00 0.00 58.89 59.48 3dav h TRP 30 Cb 1.17 -0.00 -0.22 0.00 -0.86 0.00 0.00 29.16 29.24 3dav h TRP 30 CO 0.74 1.06 0.37 0.00 -1.05 0.00 0.00 178.44 179.55 3dav s ALA 31 N -2.67 -1.87 -0.10 1.49 0.00 -0.92 -4.72 121.76 112.98 3dav s ALA 31 Ca -0.02 1.60 -0.23 0.00 0.00 0.00 0.00 51.96 53.31 3dav s ALA 31 Cb 0.09 -0.66 0.05 0.00 0.00 0.00 0.00 23.12 22.60 3dav s ALA 31 CO 0.83 -0.32 0.55 0.00 0.00 0.00 0.00 175.76 176.82 3dav s ALA 32 N -0.73 -1.41 0.68 0.00 0.00 -1.26 -0.39 121.76 118.66 3dav s ALA 32 Ca -0.04 1.18 -0.13 0.00 0.00 0.00 0.00 51.96 52.97 3dav s ALA 32 Cb -0.02 -0.31 0.01 0.00 0.00 0.00 0.00 23.12 22.81 3dav s ALA 32 CO 0.03 -0.31 1.08 -1.54 0.00 0.00 0.00 175.76 175.02 3dav s SER 33 N -0.71 5.20 0.09 0.00 1.04 -0.07 -4.92 113.70 114.32 3dav s SER 33 Ca -0.08 1.80 -0.32 0.00 0.48 0.00 0.00 55.95 57.83 3dav s SER 33 Cb -0.03 -2.52 -0.12 0.00 0.10 0.00 0.00 66.02 63.45 3dav s SER 33 CO 0.05 -1.57 1.79 0.00 0.98 0.00 0.00 173.24 174.50 3dav n ALA 34 N -2.81 1.73 -0.89 5.32 0.00 -1.26 -2.20 120.51 120.40 3dav n ALA 34 Ca 0.09 0.34 0.00 0.00 0.00 0.00 0.00 53.44 53.87 3dav n ALA 34 Cb 0.53 -2.52 0.00 0.00 0.00 0.00 0.00 19.45 17.46 3dav n ALA 34 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3dav n GLY 35 N 4.08 0.81 3.27 0.00 0.00 -1.26 -4.96 105.19 107.12 3dav n GLY 35 Ca 0.19 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.77 3dav n GLY 35 CO 0.00 0.00 0.00 -0.12 0.00 0.00 0.00 173.32 173.20 3dav s PHE 36 N -3.14 3.89 -0.30 1.61 5.99 -0.93 -5.03 117.98 120.06 3dav s PHE 36 Ca 0.00 -2.46 -0.10 0.00 0.00 0.00 0.00 56.93 54.37 3dav s PHE 36 Cb 0.00 -3.66 -0.02 0.00 0.00 0.00 0.00 43.02 39.35 3dav s PHE 36 CO 0.00 -0.92 0.16 -0.80 -0.00 0.00 0.00 175.22 173.66 3dav s ASN 37 N 1.36 5.64 -0.27 6.13 0.01 -1.26 -4.64 114.94 121.92 3dav s ASN 37 Ca 0.23 -0.39 -0.10 0.00 -0.71 0.00 0.00 52.86 51.89 3dav s ASN 37 Cb -0.11 -2.03 -0.05 0.00 0.41 0.00 0.00 41.25 39.47 3dav s ASN 37 CO -0.08 -0.16 0.17 -0.76 -1.51 0.00 0.00 177.10 174.76 3dav s LEU 38 N 1.65 3.93 0.79 0.60 1.43 -1.26 -4.04 118.68 121.79 3dav s LEU 38 Ca 0.05 -0.03 -0.11 0.00 -1.03 0.00 0.00 54.13 53.02 3dav s LEU 38 Cb -0.17 -2.08 0.07 0.00 0.03 0.00 0.00 46.19 44.04 3dav s LEU 38 CO 0.07 -0.04 1.09 -0.94 0.23 0.00 0.00 176.35 176.77 3dav s SER 39 N 1.66 4.36 0.37 2.29 1.04 -1.26 -4.81 113.70 117.35 3dav s SER 39 Ca 0.07 1.81 0.08 0.00 0.48 0.00 0.00 55.95 58.38 3dav s SER 39 Cb -0.16 -2.49 0.80 0.00 0.10 0.00 0.00 66.02 64.27 3dav s SER 39 CO 0.09 -2.13 1.94 -0.65 0.98 0.00 0.00 173.24 173.48 3dav h PRO 40 N -1.19 0.67 -0.71 4.02 0.11 -1.98 -2.11 132.00 130.80 3dav h PRO 40 Ca -0.44 -0.04 -0.07 0.00 0.11 0.00 0.00 66.00 65.56 3dav h PRO 40 Cb 1.24 -0.15 -0.03 0.00 0.11 0.00 0.00 31.00 32.17 3dav h PRO 40 CO 0.51 0.44 0.17 0.37 -0.21 0.00 0.00 178.00 179.29 3dav h GLN 41 N 0.69 1.14 -0.15 1.05 4.15 -1.94 -2.24 115.11 117.81 3dav h GLN 41 Ca 0.33 -0.28 -0.03 0.00 0.77 0.00 0.00 58.65 59.45 3dav h GLN 41 Cb 0.39 -0.15 -0.00 0.00 0.21 0.00 0.00 27.48 27.93 3dav h GLN 41 CO -0.12 1.00 -0.03 0.93 -1.93 0.00 0.00 178.83 178.69 3dav h GLU 42 N 1.08 0.28 -0.10 1.69 5.08 -1.74 -2.27 114.58 118.60 3dav h GLU 42 Ca 0.22 -0.10 -0.14 0.00 -1.00 0.00 0.00 59.36 58.34 3dav h GLU 42 Cb 0.38 -0.02 -0.01 0.00 0.50 0.00 0.00 28.75 29.60 3dav h GLU 42 CO 0.00 0.55 -0.54 -0.84 -1.00 0.00 0.00 179.01 177.18 3dav h ILE 43 N -0.02 1.36 -0.76 3.13 3.07 -1.41 -1.24 117.51 121.64 3dav h ILE 43 Ca 0.04 -1.83 -0.06 0.00 1.55 0.00 0.00 64.86 64.56 3dav h ILE 43 Cb 0.44 1.88 -0.03 0.00 -0.27 0.00 0.00 36.82 38.84 3dav h ILE 43 CO 0.01 0.55 0.25 1.56 -1.05 0.00 0.00 178.15 179.47 3dav h GLN 44 N 0.22 1.17 -0.38 0.16 4.20 -1.43 -1.20 115.11 117.85 3dav h GLN 44 Ca 0.00 -0.24 -0.14 0.00 0.06 0.00 0.00 58.65 58.33 3dav h GLN 44 Cb 1.02 -0.17 -0.01 0.00 0.30 0.00 0.00 27.48 28.62 3dav h GLN 44 CO 0.09 0.99 -0.32 0.78 -0.67 0.00 0.00 178.83 179.69 3dav h GLY 45 N 1.13 0.93 0.81 3.46 0.00 -1.08 -1.39 103.07 106.92 3dav h GLY 45 Ca 0.25 -0.89 -0.05 0.00 0.00 0.00 0.00 47.33 46.63 3dav h GLY 45 CO -0.01 0.81 -0.07 -2.00 0.00 0.00 0.00 176.54 175.26 3dav h LEU 46 N 0.72 0.42 -0.58 3.11 5.85 -1.13 0.02 115.31 123.72 3dav h LEU 46 Ca 0.07 -0.39 0.05 0.00 0.84 0.00 0.00 57.88 58.46 3dav h LEU 46 Cb 0.88 -0.12 -0.05 0.00 0.37 0.00 0.00 40.66 41.75 3dav h LEU 46 CO 0.08 0.72 0.31 0.00 -0.34 0.00 0.00 178.44 179.21 3dav h ALA 47 N 0.72 0.76 -0.33 1.25 0.00 -1.20 -1.15 119.26 119.31 3dav h ALA 47 Ca 0.05 0.02 -0.01 0.00 0.00 0.00 0.00 54.91 54.97 3dav h ALA 47 Cb 0.55 -0.09 -0.02 0.00 0.00 0.00 0.00 17.79 18.23 3dav h ALA 47 CO 0.03 -0.03 0.16 0.00 0.00 0.00 0.00 179.25 179.40 3dav h ALA 48 N 1.31 1.65 -0.56 0.00 0.00 -1.12 -2.55 119.26 118.00 3dav h ALA 48 Ca 0.26 -0.07 0.06 0.00 0.00 0.00 0.00 54.91 55.15 3dav h ALA 48 Cb 0.16 -0.14 -0.05 0.00 0.00 0.00 0.00 17.79 17.76 3dav h ALA 48 CO -0.17 0.28 0.27 0.78 0.00 0.00 0.00 179.25 180.42 3dav h GLY 49 N 0.57 0.79 2.00 0.00 0.00 0.28 -2.03 103.07 104.68 3dav h GLY 49 Ca 0.12 -0.18 -0.03 0.00 0.00 0.00 0.00 47.33 47.23 3dav h GLY 49 CO -0.02 0.10 -0.16 0.74 0.00 0.00 0.00 176.54 177.20 3dav h PHE 50 N 0.52 0.00 0.00 5.60 0.04 -1.03 -0.03 116.94 122.05 3dav h PHE 50 Ca 0.26 0.00 -0.04 0.00 2.80 0.00 0.00 57.97 60.98 3dav h PHE 50 Cb 0.19 0.00 -0.01 0.00 2.20 0.00 0.00 35.95 38.33 3dav h PHE 50 CO -0.11 0.16 -0.38 1.96 -0.60 0.00 0.00 178.31 179.35 3dav h GLN 51 N 0.00 0.00 -1.75 1.51 7.50 -1.40 -3.39 115.11 117.58 3dav h GLN 51 Ca -0.00 0.00 -0.51 0.00 0.50 0.00 0.00 58.65 58.64 3dav h GLN 51 Cb 0.36 0.00 -0.35 0.00 0.05 0.00 0.00 27.48 27.54 3dav h GLN 51 CO 0.02 0.16 -0.99 -3.47 -1.50 0.00 0.00 178.83 173.05 3dav n ASP 52 N -3.06 -0.44 0.00 1.46 2.03 -0.81 -5.04 116.55 110.69 3dav n ASP 52 Ca 0.02 -2.74 0.03 0.00 0.52 0.00 0.00 54.79 52.63 3dav n ASP 52 Cb 0.61 -0.22 0.41 0.00 -0.72 0.00 0.00 41.12 41.20 3dav n ASP 52 CO 0.00 0.00 0.00 -0.65 -1.92 0.00 0.00 177.20 174.63 3dav h PRO 53 N 4.26 0.53 0.00 -0.67 0.11 -1.21 -2.62 132.00 132.39 3dav h PRO 53 Ca 0.07 -0.04 -0.01 0.00 0.11 0.00 0.00 66.00 66.13 3dav h PRO 53 Cb 0.91 -0.11 -0.00 0.00 0.11 0.00 0.00 31.00 31.91 3dav h PRO 53 CO 0.42 0.38 -0.04 -1.35 -0.21 0.00 0.00 178.00 177.20 3dav h PRO 54 N 0.54 0.00 0.00 1.05 0.11 -1.85 -2.04 132.00 129.81 3dav h PRO 54 Ca 0.14 0.00 -0.06 0.00 0.11 0.00 0.00 66.00 66.19 3dav h PRO 54 Cb -0.00 0.00 -0.01 0.00 0.11 0.00 0.00 31.00 31.10 3dav h PRO 54 CO -0.03 0.04 -0.29 0.66 -0.21 0.00 0.00 178.00 178.17 3dav h SER 55 N 0.00 0.00 0.13 -2.05 4.64 -1.81 -2.93 113.55 111.52 3dav h SER 55 Ca -0.00 0.00 -0.01 0.00 -0.47 0.00 0.00 61.79 61.31 3dav h SER 55 Cb 0.11 0.00 -0.00 0.00 -0.31 0.00 0.00 62.40 62.20 3dav h SER 55 CO 0.00 0.29 -0.02 0.24 -0.87 0.00 0.00 176.83 176.47 3dav h MET 56 N 0.00 0.00 -0.30 4.77 2.86 -1.50 -2.79 114.93 117.98 3dav h MET 56 Ca -0.00 0.00 -0.12 0.00 -2.06 0.00 0.00 59.70 57.51 3dav h MET 56 Cb 0.66 0.00 -0.00 0.00 0.06 0.00 0.00 31.60 32.31 3dav h MET 56 CO 0.04 0.02 -0.30 0.74 1.06 0.00 0.00 176.91 178.48 3dav h PHE 57 N 0.00 0.87 -0.17 -0.22 -1.00 -1.67 -1.02 116.94 113.72 3dav h PHE 57 Ca -0.00 -0.26 -0.02 0.00 2.81 0.00 0.00 57.97 60.50 3dav h PHE 57 Cb 0.10 -0.18 -0.01 0.00 3.61 0.00 0.00 35.95 39.47 3dav h PHE 57 CO 0.00 1.02 0.04 0.78 -1.61 0.00 0.00 178.31 178.53 3dav h GLY 58 N 0.48 0.30 2.00 -1.45 0.00 -1.68 -3.29 103.07 99.43 3dav h GLY 58 Ca 0.05 -0.20 -0.19 0.00 0.00 0.00 0.00 47.33 46.99 3dav h GLY 58 CO 0.07 0.18 -0.89 -0.91 0.00 0.00 0.00 176.54 174.99 3dav h THR 59 N 0.08 1.60 -0.50 4.70 1.35 -1.60 -3.51 112.91 115.04 3dav h THR 59 Ca 0.05 -3.09 0.03 0.00 -0.55 0.00 0.00 66.41 62.86 3dav h THR 59 Cb 0.28 2.68 -0.01 0.00 -1.73 0.00 0.00 68.15 69.38 3dav h THR 59 CO 0.00 0.87 -0.04 0.61 -0.25 0.00 0.00 175.52 176.71 3dav n GLY 60 N 1.13 -2.01 3.23 5.82 0.00 -0.39 -4.85 105.19 108.12 3dav n GLY 60 Ca -0.00 -1.39 -0.35 0.00 0.00 0.00 0.00 46.02 44.28 3dav n GLY 60 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 3dav s ILE 61 N -0.52 2.98 -0.35 -0.61 1.01 -0.84 -4.85 121.20 118.02 3dav s ILE 61 Ca 0.00 -0.86 -0.10 0.00 0.00 0.00 0.00 60.65 59.68 3dav s ILE 61 Cb 0.00 -2.45 0.01 0.00 0.01 0.00 0.00 42.46 40.03 3dav s ILE 61 CO 0.00 0.28 0.18 -0.63 0.00 0.00 0.00 174.94 174.77 3dav s ILE 62 N 1.37 4.56 -0.02 2.92 1.01 -1.26 -0.79 121.20 128.99 3dav s ILE 62 Ca 0.02 -0.67 0.01 0.00 0.00 0.00 0.00 60.65 60.01 3dav s ILE 62 Cb -0.16 -3.45 0.01 0.00 0.01 0.00 0.00 42.46 38.87 3dav s ILE 62 CO -0.05 -0.10 -0.04 -0.76 0.00 0.00 0.00 174.94 174.00 3dav s LEU 63 N 1.58 1.67 -1.58 2.97 1.43 -0.62 -4.76 118.68 119.37 3dav s LEU 63 Ca 0.03 -0.08 -0.11 0.00 -1.03 0.00 0.00 54.13 52.93 3dav s LEU 63 Cb -0.18 -0.29 0.09 0.00 0.03 0.00 0.00 46.19 45.84 3dav s LEU 63 CO 0.06 -0.00 0.68 0.00 0.23 0.00 0.00 176.35 177.32 3dav n ALA 64 N 3.46 -1.53 -1.07 4.21 0.00 -1.26 -1.56 120.51 122.77 3dav n ALA 64 Ca -0.19 -0.07 -0.02 0.00 0.00 0.00 0.00 53.44 53.15 3dav n ALA 64 Cb 0.55 -2.91 -0.01 0.00 0.00 0.00 0.00 19.45 17.08 3dav n ALA 64 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3dav n GLY 65 N -1.65 0.52 3.14 0.00 0.00 -1.26 -5.00 105.19 100.95 3dav n GLY 65 Ca -0.06 -0.22 -0.27 0.00 0.00 0.00 0.00 46.02 45.47 3dav n GLY 65 CO 0.00 0.00 0.00 1.62 0.00 0.00 0.00 173.32 174.94 3dav s GLN 66 N -1.33 1.86 -0.02 1.61 2.00 -0.60 -5.13 119.66 118.05 3dav s GLN 66 Ca 0.00 -0.63 -0.17 0.00 -2.00 0.00 0.00 55.36 52.56 3dav s GLN 66 Cb 0.00 -1.61 -0.05 0.00 0.80 0.00 0.00 33.01 32.15 3dav s GLN 66 CO 0.00 0.24 0.48 0.21 -0.50 0.00 0.00 175.29 175.72 3dav s LYS 67 N 0.05 4.14 0.04 1.67 2.20 -1.26 -1.59 119.74 125.01 3dav s LYS 67 Ca -0.05 0.52 0.07 0.00 -0.36 0.00 0.00 55.97 56.16 3dav s LYS 67 Cb -0.12 -3.30 -0.03 0.00 -1.51 0.00 0.00 37.83 32.87 3dav s LYS 67 CO 0.03 0.49 -0.18 0.71 -0.36 0.00 0.00 175.35 176.03 3dav s TYR 68 N -0.49 2.55 0.03 4.03 2.02 0.03 -4.91 117.35 120.60 3dav s TYR 68 Ca 0.26 -0.26 -0.30 0.00 -0.37 0.00 0.00 57.07 56.40 3dav s TYR 68 Cb -0.17 -1.46 -0.07 0.00 -0.40 0.00 0.00 41.96 39.87 3dav s TYR 68 CO 0.14 0.26 1.51 0.42 -1.57 0.00 0.00 175.55 176.31 3dav s ILE 69 N -0.93 3.41 -0.02 2.71 1.09 0.05 -1.99 121.20 125.52 3dav s ILE 69 Ca 0.15 0.83 -0.30 0.00 -1.10 0.00 0.00 60.65 60.22 3dav s ILE 69 Cb -0.10 -3.53 -0.05 0.00 -1.06 0.00 0.00 42.46 37.72 3dav s ILE 69 CO 0.05 -0.00 1.35 -0.89 -0.10 0.00 0.00 174.94 175.35 3dav s THR 70 N 2.52 3.85 -0.10 2.92 2.01 -1.26 -0.77 115.64 124.80 3dav s THR 70 Ca 0.68 1.21 0.05 0.00 0.31 0.00 0.00 61.69 63.95 3dav s THR 70 Cb -0.35 -3.78 -0.10 0.00 0.01 0.00 0.00 72.50 68.28 3dav s THR 70 CO 0.29 -0.01 -0.02 -0.38 -0.69 0.00 0.00 174.62 173.81 3dav n ILE 71 N 4.68 0.66 -3.81 1.82 2.08 0.07 -4.94 119.36 119.92 3dav n ILE 71 Ca 0.13 -0.34 -0.13 0.00 0.56 0.00 0.00 62.75 62.96 3dav n ILE 71 Cb 0.44 -0.82 -0.14 0.00 -0.75 0.00 0.00 39.64 38.37 3dav n ILE 71 CO 0.00 0.00 0.00 -0.60 0.56 0.00 0.00 176.55 176.51 3dav s ARG 72 N -2.23 0.06 -0.20 0.38 3.52 -1.04 -4.95 118.95 114.49 3dav s ARG 72 Ca -0.09 0.18 -0.04 0.00 -0.13 0.00 0.00 55.73 55.65 3dav s ARG 72 Cb 0.03 -0.07 0.09 0.00 -1.56 0.00 0.00 34.95 33.45 3dav s ARG 72 CO 0.34 -0.08 0.24 0.00 -0.81 0.00 0.00 175.30 174.99 3dav s ALA 73 N 0.51 -0.37 0.33 6.12 0.00 -1.25 0.47 121.76 127.58 3dav s ALA 73 Ca -0.04 0.37 0.07 0.00 0.00 0.00 0.00 51.96 52.36 3dav s ALA 73 Cb -0.06 -1.32 -0.03 0.00 0.00 0.00 0.00 23.12 21.71 3dav s ALA 73 CO -0.02 -1.16 0.26 -1.21 0.00 0.00 0.00 175.76 173.63 3dav s GLU 74 N 2.35 1.75 0.29 0.00 2.02 0.15 -4.64 118.70 120.61 3dav s GLU 74 Ca 0.07 -2.01 0.02 0.00 0.02 0.00 0.00 54.97 53.07 3dav s GLU 74 Cb -0.15 0.26 0.71 0.00 0.10 0.00 0.00 34.13 35.04 3dav s GLU 74 CO -0.12 -0.63 1.65 0.78 0.02 0.00 0.00 175.26 176.96 3dav h GLY 75 N 2.13 1.37 0.00 -1.39 0.00 -1.94 -3.02 103.07 100.23 3dav h GLY 75 Ca -0.26 -0.05 0.00 0.00 0.00 0.00 0.00 47.33 47.02 3dav h GLY 75 CO 0.38 -0.36 -0.43 0.54 0.00 0.00 0.00 176.54 176.68 3dav n ARG 76 N -5.21 4.28 -4.14 4.80 5.12 -1.26 -4.79 116.66 115.46 3dav n ARG 76 Ca 0.21 -0.01 -0.24 0.00 -1.93 0.00 0.00 57.85 55.89 3dav n ARG 76 Cb 0.68 -0.86 -0.17 0.00 -1.16 0.00 0.00 32.46 30.95 3dav n ARG 76 CO 0.00 0.00 0.00 -1.12 -1.93 0.00 0.00 177.63 174.58 3dav s SER 77 N -1.76 1.65 -0.17 0.55 0.01 -1.14 -0.40 113.70 112.44 3dav s SER 77 Ca 0.02 -0.22 -0.01 0.00 1.31 0.00 0.00 55.95 57.05 3dav s SER 77 Cb 0.05 -0.67 0.04 0.00 0.21 0.00 0.00 66.02 65.65 3dav s SER 77 CO 0.28 -0.07 -0.04 -0.63 0.41 0.00 0.00 173.24 173.19 3dav s ILE 78 N 1.26 1.02 0.03 1.44 1.01 -0.42 0.33 121.20 125.87 3dav s ILE 78 Ca -0.05 -0.60 0.05 0.00 0.00 0.00 0.00 60.65 60.05 3dav s ILE 78 Cb -0.14 -1.24 -0.03 0.00 0.01 0.00 0.00 42.46 41.06 3dav s ILE 78 CO -0.02 0.09 -0.12 -0.31 0.00 0.00 0.00 174.94 174.58 3dav s TYR 79 N 1.67 2.73 0.10 3.97 2.02 0.18 -1.26 117.35 126.75 3dav s TYR 79 Ca 0.01 -0.15 0.03 0.00 -0.37 0.00 0.00 57.07 56.59 3dav s TYR 79 Cb -0.15 -1.53 -0.04 0.00 -0.40 0.00 0.00 41.96 39.83 3dav s TYR 79 CO -0.07 0.32 -0.09 0.20 -1.57 0.00 0.00 175.55 174.33 3dav s GLY 80 N -1.46 0.86 0.06 0.71 0.00 -0.37 -0.75 107.32 106.36 3dav s GLY 80 Ca 0.16 -1.25 0.06 0.00 0.00 0.00 0.00 44.72 43.69 3dav s GLY 80 CO 0.07 -1.33 -0.15 -1.59 0.00 0.00 0.00 173.10 170.09 3dav s LYS 81 N -3.09 0.94 -0.37 2.90 -2.85 0.05 -1.99 119.74 115.33 3dav s LYS 81 Ca 0.08 -0.90 0.01 0.00 -1.00 0.00 0.00 55.97 54.15 3dav s LYS 81 Cb -0.01 -0.99 0.14 0.00 -2.06 0.00 0.00 37.83 34.92 3dav s LYS 81 CO -0.01 0.23 0.23 -1.17 0.10 0.00 0.00 175.35 174.73 3dav s LEU 82 N -1.49 1.31 0.00 2.77 2.96 0.82 -0.77 118.68 124.28 3dav s LEU 82 Ca 0.01 -2.33 0.00 0.00 -0.22 0.00 0.00 54.13 51.59 3dav s LEU 82 Cb -0.09 -0.51 0.00 0.00 0.50 0.00 0.00 46.19 46.09 3dav s LEU 82 CO 0.02 -0.29 0.00 0.00 -1.32 0.00 0.00 176.35 174.76 3dav n GLN 83 N 3.87 0.00 0.00 1.98 6.02 -1.26 -1.25 117.38 126.74 3dav n GLN 83 Ca 0.13 0.00 0.12 0.00 -0.01 0.00 0.00 57.00 57.24 3dav n GLN 83 Cb 0.37 0.00 0.27 0.00 1.02 0.00 0.00 30.24 31.90 3dav n GLN 83 CO 0.00 0.00 0.00 1.63 -1.01 0.00 0.00 177.06 177.68 3dav n LYS 84 N 5.87 0.94 -3.26 -1.09 5.02 -1.26 -4.89 118.16 119.50 3dav n LYS 84 Ca 0.00 -0.64 -0.19 0.00 -2.02 0.00 0.00 58.31 55.47 3dav n LYS 84 Cb 0.00 -1.49 -0.01 0.00 -0.02 0.00 0.00 35.03 33.52 3dav n LYS 84 CO 0.00 0.00 0.00 -1.21 -0.52 0.00 0.00 177.40 175.67 3dav s GLU 85 N -2.49 2.76 -0.02 1.97 2.02 -0.38 -3.97 118.70 118.58 3dav s GLU 85 Ca 0.23 -1.32 -0.15 0.00 0.02 0.00 0.00 54.97 53.75 3dav s GLU 85 Cb 0.19 -2.63 0.05 0.00 0.10 0.00 0.00 34.13 31.84 3dav s GLU 85 CO 0.54 -0.20 0.70 0.41 0.02 0.00 0.00 175.26 176.72 3dav n GLY 86 N -1.71 0.37 3.12 -1.39 0.00 -1.04 -0.13 105.19 104.41 3dav n GLY 86 Ca 0.05 -0.94 -0.19 0.00 0.00 0.00 0.00 46.02 44.95 3dav n GLY 86 CO 0.00 0.00 0.00 -0.26 0.00 0.00 0.00 173.32 173.06 3dav s ILE 87 N -2.06 1.00 -0.16 -0.61 -5.25 -0.84 -0.78 121.20 112.50 3dav s ILE 87 Ca 0.16 -0.98 0.01 0.00 -0.99 0.00 0.00 60.65 58.86 3dav s ILE 87 Cb -0.00 -0.92 0.02 0.00 2.95 0.00 0.00 42.46 44.50 3dav s ILE 87 CO -0.01 -0.05 -0.19 -0.63 -1.79 0.00 0.00 174.94 172.27 3dav s ILE 88 N -0.90 1.90 -0.16 8.37 -1.09 0.92 -1.24 121.20 129.00 3dav s ILE 88 Ca -0.00 -0.85 0.01 0.00 -2.23 0.00 0.00 60.65 57.58 3dav s ILE 88 Cb -0.08 -1.72 0.01 0.00 -1.58 0.00 0.00 42.46 39.09 3dav s ILE 88 CO 0.01 0.51 -0.18 0.00 -1.23 0.00 0.00 174.94 174.06 3dav s VAL 90 N 0.91 1.15 -0.02 0.00 1.01 -0.53 -1.30 120.40 121.62 3dav s VAL 90 Ca -0.04 -0.43 -0.26 0.00 0.00 0.00 0.00 61.98 61.25 3dav s VAL 90 Cb -0.15 -1.09 -0.04 0.00 0.00 0.00 0.00 36.38 35.10 3dav s VAL 90 CO -0.03 0.37 0.79 0.00 0.00 0.00 0.00 175.10 176.23 3dav s ALA 91 N 1.09 3.29 0.06 5.51 0.00 0.46 -1.18 121.76 130.99 3dav s ALA 91 Ca -0.06 0.28 0.00 0.00 0.00 0.00 0.00 51.96 52.17 3dav s ALA 91 Cb -0.14 -3.07 0.00 0.00 0.00 0.00 0.00 23.12 19.91 3dav s ALA 91 CO -0.02 -0.10 0.00 0.25 0.00 0.00 0.00 175.76 175.89 3dav n THR 92 N 3.60 0.00 -0.07 0.00 -2.24 0.70 -4.88 114.28 111.39 3dav n THR 92 Ca 0.00 0.00 -0.13 0.00 -2.27 0.00 0.00 64.05 61.65 3dav n THR 92 Cb 0.51 -1.06 -0.06 0.00 -2.10 0.00 0.00 70.33 67.63 3dav n THR 92 CO 0.00 0.00 0.00 0.50 -0.57 0.00 0.00 175.07 175.00 3dav h LYS 93 N 0.00 0.56 0.00 -0.78 3.64 -1.56 -3.38 116.57 115.05 3dav h LYS 93 Ca 0.00 -0.30 0.00 0.00 -1.27 0.00 0.00 60.65 59.08 3dav h LYS 93 Cb 0.00 0.02 0.00 0.00 -0.41 0.00 0.00 32.23 31.84 3dav h LYS 93 CO 0.00 0.90 -1.10 1.28 -2.27 0.00 0.00 179.45 178.25 3dav n LEU 94 N -4.37 0.21 -4.27 5.20 4.77 -1.21 -4.91 117.00 112.41 3dav n LEU 94 Ca -0.05 -0.20 -0.16 0.00 -0.03 0.00 0.00 56.01 55.57 3dav n LEU 94 Cb 0.44 0.00 -0.09 0.00 -2.33 0.00 0.00 43.42 41.43 3dav n LEU 94 CO 0.43 0.05 -0.21 0.00 -1.33 0.00 0.00 177.39 176.33 3dav s ILE 96 N -3.83 1.40 -0.05 0.00 1.01 0.11 -0.21 121.20 119.63 3dav s ILE 96 Ca 0.38 -0.54 -0.24 0.00 0.00 0.00 0.00 60.65 60.25 3dav s ILE 96 Cb 0.06 -1.33 -0.04 0.00 0.01 0.00 0.00 42.46 41.16 3dav s ILE 96 CO 0.16 0.43 0.73 -0.76 0.00 0.00 0.00 174.94 175.50 3dav s LEU 97 N 1.40 4.33 -0.21 2.97 1.43 -0.33 -1.20 118.68 127.08 3dav s LEU 97 Ca 0.02 1.25 0.00 0.00 -1.03 0.00 0.00 54.13 54.37 3dav s LEU 97 Cb -0.13 -3.14 0.02 0.00 0.03 0.00 0.00 46.19 42.97 3dav s LEU 97 CO -0.08 -0.12 -0.15 -0.69 0.23 0.00 0.00 176.35 175.55 3dav s VAL 98 N 0.74 2.36 -0.17 -1.59 1.01 0.64 -1.45 120.40 121.94 3dav s VAL 98 Ca 0.39 -0.98 0.01 0.00 0.00 0.00 0.00 61.98 61.39 3dav s VAL 98 Cb -0.18 -2.09 0.02 0.00 0.00 0.00 0.00 36.38 34.13 3dav s VAL 98 CO 0.19 0.40 -0.17 -0.44 0.00 0.00 0.00 175.10 175.09 3dav s SER 99 N 1.30 3.00 -0.06 3.32 0.01 0.48 -0.94 113.70 120.80 3dav s SER 99 Ca 0.03 -0.62 -0.15 0.00 1.31 0.00 0.00 55.95 56.52 3dav s SER 99 Cb -0.15 -1.35 -0.05 0.00 0.21 0.00 0.00 66.02 64.68 3dav s SER 99 CO -0.09 -0.03 0.40 -2.28 0.41 0.00 0.00 173.24 171.64 3dav s HIS 100 N 1.37 3.62 0.02 2.43 2.46 0.70 -0.06 115.29 125.82 3dav s HIS 100 Ca 0.04 0.89 0.09 0.00 0.47 0.00 0.00 55.06 56.55 3dav s HIS 100 Cb -0.13 -2.36 -0.02 0.00 -0.13 0.00 0.00 32.58 29.93 3dav s HIS 100 CO -0.12 0.44 -0.26 1.52 -2.47 0.00 0.00 174.74 173.86 3dav s TYR 101 N -0.33 2.29 0.81 3.88 -0.85 0.04 -1.71 117.35 121.49 3dav s TYR 101 Ca 0.23 -0.42 -0.09 0.00 -0.52 0.00 0.00 57.07 56.26 3dav s TYR 101 Cb -0.15 -1.42 0.18 0.00 0.38 0.00 0.00 41.96 40.94 3dav s TYR 101 CO 0.11 0.05 1.11 -0.35 -1.52 0.00 0.00 175.55 174.95 3dav n PRO 102 N 2.07 -0.75 -0.33 -3.49 -0.04 -1.26 -2.49 135.00 128.71 3dav n PRO 102 Ca -0.16 -2.15 0.16 0.00 -0.04 0.00 0.00 63.50 61.31 3dav n PRO 102 Cb 0.52 -1.01 0.36 0.00 -0.04 0.00 0.00 33.50 33.33 3dav n PRO 102 CO 0.00 0.00 0.00 1.49 -0.04 0.00 0.00 175.50 176.95 3dav h GLU 103 N 0.00 0.48 0.00 0.54 4.81 -1.96 -2.81 114.58 115.64 3dav h GLU 103 Ca -0.36 -0.03 0.00 0.00 -0.13 0.00 0.00 59.36 58.84 3dav h GLU 103 Cb 1.11 -0.11 0.00 0.00 0.63 0.00 0.00 28.75 30.38 3dav h GLU 103 CO 0.30 0.32 -0.12 0.25 -0.73 0.00 0.00 179.01 179.02 3dav n THR 104 N -4.96 0.01 -3.99 0.32 -2.24 -1.26 -4.76 114.28 97.39 3dav n THR 104 Ca 0.25 -0.00 -0.36 0.00 -2.27 0.00 0.00 64.05 61.67 3dav n THR 104 Cb 0.72 -0.32 -0.07 0.00 -2.10 0.00 0.00 70.33 68.56 3dav n THR 104 CO 0.00 0.00 0.00 0.42 -0.57 0.00 0.00 175.07 174.92 3dav s THR 105 N -3.00 5.14 0.31 4.28 -4.23 -1.06 -5.08 115.64 112.00 3dav s THR 105 Ca 0.13 0.07 -0.29 0.00 -1.18 0.00 0.00 61.69 60.43 3dav s THR 105 Cb 0.19 -3.25 -0.10 0.00 1.34 0.00 0.00 72.50 70.68 3dav s THR 105 CO 0.57 0.58 1.19 -0.76 -0.54 0.00 0.00 174.62 175.66 3dav s LEU 106 N -0.66 4.47 0.29 4.79 1.43 -1.26 -4.80 118.68 122.93 3dav s LEU 106 Ca 0.12 2.45 0.02 0.00 -1.03 0.00 0.00 54.13 55.69 3dav s LEU 106 Cb -0.12 -3.68 0.70 0.00 0.03 0.00 0.00 46.19 43.13 3dav s LEU 106 CO 0.02 -0.35 1.67 -0.65 0.23 0.00 0.00 176.35 177.27 3dav h PRO 107 N 3.52 0.28 -0.97 1.29 0.11 -1.95 -1.00 132.00 133.28 3dav h PRO 107 Ca -0.48 -0.02 0.12 0.00 0.11 0.00 0.00 66.00 65.73 3dav h PRO 107 Cb 1.22 -0.06 -0.08 0.00 0.11 0.00 0.00 31.00 32.18 3dav h PRO 107 CO 0.66 0.19 0.60 0.78 -0.21 0.00 0.00 178.00 180.02 3dav h GLY 108 N 0.29 1.58 0.87 -0.55 0.00 -1.99 0.43 103.07 103.70 3dav h GLY 108 Ca 0.55 -0.40 -0.01 0.00 0.00 0.00 0.00 47.33 47.46 3dav h GLY 108 CO -0.59 0.16 0.04 0.83 0.00 0.00 0.00 176.54 176.98 3dav h GLU 109 N 0.96 0.16 -0.57 4.80 5.08 -1.56 -1.29 114.58 122.16 3dav h GLU 109 Ca 0.48 -0.03 -0.09 0.00 -1.00 0.00 0.00 59.36 58.72 3dav h GLU 109 Cb 0.46 -0.03 -0.02 0.00 0.50 0.00 0.00 28.75 29.67 3dav h GLU 109 CO -0.26 0.27 0.01 0.00 -1.00 0.00 0.00 179.01 178.03 3dav h ALA 110 N 0.88 0.77 0.34 3.43 0.00 -1.19 -2.05 119.26 121.44 3dav h ALA 110 Ca 0.04 -0.30 -0.02 0.00 0.00 0.00 0.00 54.91 54.63 3dav h ALA 110 Cb 0.17 -0.21 0.00 0.00 0.00 0.00 0.00 17.79 17.75 3dav h ALA 110 CO -0.00 0.59 -0.16 0.00 0.00 0.00 0.00 179.25 179.67 3dav h ALA 111 N 0.97 -0.46 -0.43 0.00 0.00 -0.90 -2.56 119.26 115.88 3dav h ALA 111 Ca 0.16 -0.11 0.09 0.00 0.00 0.00 0.00 54.91 55.05 3dav h ALA 111 Cb 0.53 0.18 -0.09 0.00 0.00 0.00 0.00 17.79 18.41 3dav h ALA 111 CO 0.03 -0.74 -0.15 -0.22 0.00 0.00 0.00 179.25 178.17 3dav h LYS 112 N -0.49 -0.05 0.16 0.00 1.63 -1.12 0.19 116.57 116.89 3dav h LYS 112 Ca -0.05 0.00 -0.01 0.00 -0.85 0.00 0.00 60.65 59.75 3dav h LYS 112 Cb 0.37 0.01 0.00 0.00 -0.60 0.00 0.00 32.23 32.02 3dav h LYS 112 CO 0.08 -0.03 -0.08 0.82 -3.45 0.00 0.00 179.45 176.79 3dav h ILE 113 N -0.05 0.89 0.00 2.00 2.04 -1.36 -1.45 117.51 119.58 3dav h ILE 113 Ca 0.21 -0.24 -0.15 0.00 1.00 0.00 0.00 64.86 65.68 3dav h ILE 113 Cb 0.37 1.04 -0.02 0.00 -0.74 0.00 0.00 36.82 37.47 3dav h ILE 113 CO -0.47 0.06 -0.74 0.00 0.00 0.00 0.00 178.15 177.00 3dav h THR 114 N -0.33 1.46 -0.82 -0.27 1.03 -1.27 -1.24 112.91 111.48 3dav h THR 114 Ca -0.02 -2.57 0.00 0.00 -0.01 0.00 0.00 66.41 63.81 3dav h THR 114 Cb 0.26 2.41 -0.04 0.00 -1.07 0.00 0.00 68.15 69.71 3dav h THR 114 CO 0.04 0.72 0.53 -0.33 -0.01 0.00 0.00 175.52 176.46 3dav h GLU 115 N 0.00 1.09 -0.04 0.00 4.39 -0.63 -1.52 114.58 117.87 3dav h GLU 115 Ca -0.01 -0.08 -0.01 0.00 0.34 0.00 0.00 59.36 59.61 3dav h GLU 115 Cb 1.35 -0.24 -0.00 0.00 -0.10 0.00 0.00 28.75 29.76 3dav h GLU 115 CO 0.10 0.74 0.00 0.00 -1.16 0.00 0.00 179.01 178.69 3dav h ALA 116 N 1.29 0.06 -0.25 3.43 0.00 -0.89 -1.44 119.26 121.46 3dav h ALA 116 Ca 0.30 -0.16 0.04 0.00 0.00 0.00 0.00 54.91 55.09 3dav h ALA 116 Cb -0.10 -0.02 -0.01 0.00 0.00 0.00 0.00 17.79 17.66 3dav h ALA 116 CO -0.06 -0.28 0.17 1.25 0.00 0.00 0.00 179.25 180.33 3dav h LEU 117 N -0.21 0.13 0.18 0.00 5.85 -1.23 -1.44 115.31 118.60 3dav h LEU 117 Ca 0.01 -0.00 -0.01 0.00 0.84 0.00 0.00 57.88 58.72 3dav h LEU 117 Cb 0.32 -0.03 0.00 0.00 0.37 0.00 0.00 40.66 41.32 3dav h LEU 117 CO 0.00 0.09 -0.09 0.00 -0.34 0.00 0.00 178.44 178.10 3dav h ALA 118 N 1.87 -0.24 -0.99 1.25 0.00 -0.80 -1.64 119.26 118.71 3dav h ALA 118 Ca 0.11 -0.17 0.03 0.00 0.00 0.00 0.00 54.91 54.88 3dav h ALA 118 Cb 0.25 0.09 -0.05 0.00 0.00 0.00 0.00 17.79 18.08 3dav h ALA 118 CO -0.02 -0.48 0.65 -0.44 0.00 0.00 0.00 179.25 178.97 3dav h ASP 119 N -0.56 1.10 0.13 0.00 3.32 -0.96 0.13 116.42 119.58 3dav h ASP 119 Ca -0.02 -0.02 0.02 0.00 0.02 0.00 0.00 57.03 57.03 3dav h ASP 119 Cb 0.42 -0.26 -0.03 0.00 0.22 0.00 0.00 39.33 39.68 3dav h ASP 119 CO 0.04 0.77 -0.27 0.22 -1.72 0.00 0.00 179.24 178.29 3dav h TYR 120 N 1.29 -0.72 -1.01 4.55 3.20 -1.27 0.25 116.97 123.26 3dav h TYR 120 Ca 0.39 0.01 0.03 0.00 3.14 0.00 0.00 58.73 62.30 3dav h TYR 120 Cb -0.05 0.30 -0.06 0.00 1.54 0.00 0.00 36.73 38.46 3dav h TYR 120 CO -0.00 -0.37 0.66 -0.07 -1.64 0.00 0.00 178.16 176.74 3dav h LEU 121 N -0.48 1.11 -0.39 2.82 3.38 -0.62 -0.76 115.31 120.37 3dav h LEU 121 Ca 0.03 -0.01 -0.00 0.00 0.09 0.00 0.00 57.88 57.98 3dav h LEU 121 Cb 0.51 -0.26 -0.02 0.00 0.09 0.00 0.00 40.66 40.98 3dav h LEU 121 CO -0.15 0.76 0.23 0.58 0.09 0.00 0.00 178.44 179.96 3dav h VAL 122 N 1.29 1.13 -0.98 1.22 2.07 -0.37 0.14 116.25 120.76 3dav h VAL 122 Ca 0.40 -0.32 0.10 0.00 0.82 0.00 0.00 66.70 67.70 3dav h VAL 122 Cb -0.02 0.64 -0.08 0.00 -1.52 0.00 0.00 31.29 30.31 3dav h VAL 122 CO -0.12 0.14 0.61 1.23 0.02 0.00 0.00 177.57 179.45 3dav h GLY 123 N 0.51 1.56 2.00 2.17 0.00 0.22 -1.47 103.07 108.06 3dav h GLY 123 Ca 0.14 -0.42 -0.06 0.00 0.00 0.00 0.00 47.33 46.98 3dav h GLY 123 CO -0.03 0.20 -0.30 -2.08 0.00 0.00 0.00 176.54 174.34 3dav h VAL 124 N 1.01 0.60 0.00 4.60 2.07 -0.88 -3.47 116.25 120.18 3dav h VAL 124 Ca 0.47 -1.52 0.00 0.00 0.82 0.00 0.00 66.70 66.47 3dav h VAL 124 Cb 0.39 2.05 0.00 0.00 -1.52 0.00 0.00 31.29 32.20 3dav h VAL 124 CO -0.24 0.29 0.00 0.61 0.02 0.00 0.00 177.57 178.26 3dav n GLY 125 N 0.68 1.51 0.43 2.17 0.00 -0.46 -5.10 105.19 104.42 3dav n GLY 125 Ca 0.01 0.00 0.05 0.00 0.00 0.00 0.00 46.02 46.09 3dav n GLY 125 CO 0.00 0.00 0.00 -1.72 0.00 0.00 0.00 173.32 171.60