#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3d5d n ALA 4 N 0.00 1.58 1.08 6.98 0.00 -1.26 -4.71 120.51 124.18 3d5d n ALA 4 Ca 0.00 0.00 0.10 0.00 0.00 0.00 0.00 53.44 53.54 3d5d n ALA 4 Cb 0.00 0.08 0.55 0.00 0.00 0.00 0.00 19.45 20.08 3d5d n ALA 4 CO 0.00 0.00 0.00 0.66 0.00 0.00 0.00 177.50 178.16 3d5d n TYR 5 N -1.24 0.00 1.48 0.00 4.02 -1.26 -2.77 117.16 117.38 3d5d n TYR 5 Ca 0.00 0.00 0.14 0.00 -0.01 0.00 0.00 57.90 58.03 3d5d n TYR 5 Cb 0.11 -0.20 0.63 0.00 -0.02 0.00 0.00 39.34 39.86 3d5d n TYR 5 CO 0.00 0.00 0.00 -0.25 -1.01 0.00 0.00 176.86 175.60 3d5d n ASP 6 N -1.20 0.57 -0.09 7.72 8.00 -1.26 -4.02 116.55 126.27 3d5d n ASP 6 Ca 0.12 -0.75 -0.14 0.00 0.71 0.00 0.00 54.79 54.73 3d5d n ASP 6 Cb 0.14 -0.05 -0.06 0.00 -0.02 0.00 0.00 41.12 41.13 3d5d n ASP 6 CO 0.00 0.00 0.00 0.52 -0.39 0.00 0.00 177.20 177.33 3d5d n VAL 7 N -0.81 1.48 -2.06 2.53 0.31 -1.12 -4.69 118.33 113.97 3d5d n VAL 7 Ca 0.16 0.07 -0.35 0.00 -0.01 0.00 0.00 64.34 64.20 3d5d n VAL 7 Cb 0.27 -2.21 -0.04 0.00 -0.91 0.00 0.00 33.84 30.95 3d5d n VAL 7 CO 0.00 0.00 0.00 -0.63 -1.32 0.00 0.00 176.83 174.88 3d5d s ILE 8 N -2.37 3.40 0.00 2.52 1.09 -1.26 -2.23 121.20 122.35 3d5d s ILE 8 Ca -0.23 0.03 0.00 0.00 -1.10 0.00 0.00 60.65 59.35 3d5d s ILE 8 Cb 0.05 -4.00 0.00 0.00 -1.06 0.00 0.00 42.46 37.45 3d5d s ILE 8 CO 0.40 -0.96 0.42 0.18 -0.10 0.00 0.00 174.94 174.88 3d5d n LEU 9 N 12.96 0.70 -3.61 2.97 4.77 -0.58 -4.99 117.00 129.22 3d5d n LEU 9 Ca 0.26 0.51 -0.16 0.00 -0.03 0.00 0.00 56.01 56.59 3d5d n LEU 9 Cb 0.51 -0.21 -0.07 0.00 -2.33 0.00 0.00 43.42 41.31 3d5d n LEU 9 CO 0.68 -0.21 0.33 0.00 -1.33 0.00 0.00 177.39 176.85 3d5d s ALA 10 N -2.89 -1.52 0.16 -1.18 0.00 -1.20 -5.01 121.76 110.13 3d5d s ALA 10 Ca 0.00 1.28 -0.32 0.00 0.00 0.00 0.00 51.96 52.91 3d5d s ALA 10 Cb 0.00 -0.30 -0.12 0.00 0.00 0.00 0.00 23.12 22.70 3d5d s ALA 10 CO 0.00 -0.33 1.74 -2.30 0.00 0.00 0.00 175.76 174.88 3d5d n PRO 11 N 1.54 2.65 -2.15 0.00 -0.02 -1.26 -0.20 135.00 135.55 3d5d n PRO 11 Ca -0.18 0.96 -0.39 0.00 -2.02 0.00 0.00 63.50 61.87 3d5d n PRO 11 Cb 0.56 -2.81 -0.01 0.00 -0.02 0.00 0.00 33.50 31.23 3d5d n PRO 11 CO 0.00 0.00 0.00 0.54 1.98 0.00 0.00 175.50 178.02 3d5d s VAL 12 N 1.77 2.84 -0.83 -1.45 0.11 -1.23 -4.79 120.40 116.82 3d5d s VAL 12 Ca 0.79 0.72 -0.00 0.00 -2.93 0.00 0.00 61.98 60.56 3d5d s VAL 12 Cb -0.54 -3.41 0.20 0.00 -1.53 0.00 0.00 36.38 31.11 3d5d s VAL 12 CO 0.36 0.08 0.68 -0.76 -3.33 0.00 0.00 175.10 172.13 3d5d s LEU 13 N -2.55 5.34 0.01 2.54 1.43 -1.26 -4.90 118.68 119.28 3d5d s LEU 13 Ca 0.58 -3.70 -0.16 0.00 -1.03 0.00 0.00 54.13 49.83 3d5d s LEU 13 Cb -0.34 -1.83 0.03 0.00 0.03 0.00 0.00 46.19 44.07 3d5d s LEU 13 CO 0.44 -0.17 0.33 -0.55 0.23 0.00 0.00 176.35 176.63 3d5d s SER 14 N -0.43 -0.20 0.27 2.29 0.15 -1.26 -5.02 113.70 109.51 3d5d s SER 14 Ca 0.26 0.02 0.00 0.00 0.70 0.00 0.00 55.95 56.93 3d5d s SER 14 Cb -0.08 0.35 0.53 0.00 -1.71 0.00 0.00 66.02 65.11 3d5d s SER 14 CO -0.13 -0.53 1.82 -0.33 1.20 0.00 0.00 173.24 175.28 3d5d h GLU 15 N 3.55 0.89 -0.63 5.44 3.07 -1.97 0.54 114.58 125.46 3d5d h GLU 15 Ca -0.30 -0.05 0.11 0.00 -0.50 0.00 0.00 59.36 58.61 3d5d h GLU 15 Cb 1.18 -0.20 -0.04 0.00 -0.84 0.00 0.00 28.75 28.85 3d5d h GLU 15 CO 0.42 0.59 0.42 -0.22 -1.40 0.00 0.00 179.01 178.82 3d5d h LYS 16 N 0.92 0.42 0.05 2.33 3.64 -1.99 0.49 116.57 122.42 3d5d h LYS 16 Ca 0.48 -0.03 -0.24 0.00 -1.27 0.00 0.00 60.65 59.59 3d5d h LYS 16 Cb 0.50 -0.09 -0.02 0.00 -0.41 0.00 0.00 32.23 32.21 3d5d h LYS 16 CO -0.28 0.28 -1.17 0.00 -2.27 0.00 0.00 179.45 176.01 3d5d h ALA 17 N 1.68 0.29 0.05 5.00 0.00 -0.47 -3.24 119.26 122.58 3d5d h ALA 17 Ca 0.30 -0.96 -0.24 0.00 0.00 0.00 0.00 54.91 54.01 3d5d h ALA 17 Cb 0.58 -0.03 0.00 0.00 0.00 0.00 0.00 17.79 18.35 3d5d h ALA 17 CO -0.09 1.18 -1.04 1.88 0.00 0.00 0.00 179.25 181.18 3d5d h TYR 18 N 0.03 0.53 0.00 0.00 0.05 0.13 -2.78 116.97 114.93 3d5d h TYR 18 Ca -0.09 -0.32 -0.03 0.00 0.05 0.00 0.00 58.73 58.34 3d5d h TYR 18 Cb 1.87 -0.05 -0.00 0.00 1.01 0.00 0.00 36.73 39.56 3d5d h TYR 18 CO 0.02 1.18 -0.16 0.00 -1.05 0.00 0.00 178.16 178.15 3d5d h ALA 19 N 0.71 1.21 -0.00 3.88 0.00 -0.24 -1.96 119.26 122.87 3d5d h ALA 19 Ca -0.10 -0.14 -0.16 0.00 0.00 0.00 0.00 54.91 54.51 3d5d h ALA 19 Cb 1.71 -0.02 -0.02 0.00 0.00 0.00 0.00 17.79 19.46 3d5d h ALA 19 CO 0.17 0.20 -0.75 0.78 0.00 0.00 0.00 179.25 179.65 3d5d h GLY 20 N 1.17 0.06 1.89 0.00 0.00 -1.53 -2.88 103.07 101.78 3d5d h GLY 20 Ca -0.00 -0.09 -0.04 0.00 0.00 0.00 0.00 47.33 47.20 3d5d h GLY 20 CO 0.02 0.08 -0.15 0.74 0.00 0.00 0.00 176.54 177.23 3d5d h PHE 21 N 0.03 0.14 -0.83 5.60 0.05 -1.09 -0.50 116.94 120.33 3d5d h PHE 21 Ca -0.01 -0.01 0.01 0.00 3.82 0.00 0.00 57.97 61.77 3d5d h PHE 21 Cb 1.32 -0.04 -0.04 0.00 2.00 0.00 0.00 35.95 39.19 3d5d h PHE 21 CO 0.01 0.28 0.55 0.00 -0.18 0.00 0.00 178.31 178.97 3d5d h ALA 22 N 1.73 1.05 -3.13 2.45 0.00 -1.37 -3.43 119.26 116.56 3d5d h ALA 22 Ca 0.03 -0.06 0.00 0.00 0.00 0.00 0.00 54.91 54.88 3d5d h ALA 22 Cb 0.34 -0.33 0.00 0.00 0.00 0.00 0.00 17.79 17.80 3d5d h ALA 22 CO 0.02 0.45 0.00 -1.91 0.00 0.00 0.00 179.25 177.81 3d5d n GLU 23 N -4.51 0.45 -1.27 0.00 4.07 -0.22 -4.97 120.64 114.18 3d5d n GLU 23 Ca 0.09 0.00 -0.33 0.00 -0.06 0.00 0.00 57.16 56.86 3d5d n GLU 23 Cb 0.02 0.00 0.07 0.00 -0.06 0.00 0.00 31.44 31.47 3d5d n GLU 23 CO 0.00 0.00 0.00 0.41 -0.06 0.00 0.00 177.13 177.48 3d5d n GLY 24 N 5.00 5.65 2.90 8.31 0.00 -1.25 -4.87 105.19 120.93 3d5d n GLY 24 Ca 0.00 -2.15 -0.30 0.00 0.00 0.00 0.00 46.02 43.56 3d5d n GLY 24 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3d5d s LYS 25 N -3.57 1.27 -0.39 1.61 1.02 -1.05 -1.47 119.74 117.16 3d5d s LYS 25 Ca 0.61 -1.37 -0.17 0.00 0.02 0.00 0.00 55.97 55.06 3d5d s LYS 25 Cb 0.48 -2.64 0.01 0.00 -0.52 0.00 0.00 37.83 35.16 3d5d s LYS 25 CO -0.01 -0.86 0.43 0.71 -0.92 0.00 0.00 175.35 174.70 3d5d s TYR 26 N 1.27 3.18 -0.01 3.18 4.12 -0.91 -3.75 117.35 124.43 3d5d s TYR 26 Ca 0.06 -0.17 0.02 0.00 0.02 0.00 0.00 57.07 57.00 3d5d s TYR 26 Cb -0.18 -2.84 -0.03 0.00 -1.52 0.00 0.00 41.96 37.38 3d5d s TYR 26 CO -0.13 -0.60 -0.04 -0.08 0.02 0.00 0.00 175.55 174.72 3d5d s THR 27 N 2.16 3.85 0.30 -0.71 -1.32 -1.26 -2.01 115.64 116.66 3d5d s THR 27 Ca 0.13 -0.64 -0.19 0.00 -1.21 0.00 0.00 61.69 59.78 3d5d s THR 27 Cb -0.17 -2.67 0.04 0.00 -1.51 0.00 0.00 72.50 68.19 3d5d s THR 27 CO 0.13 0.43 0.79 0.72 -2.21 0.00 0.00 174.62 174.48 3d5d s PHE 28 N -0.99 -0.05 0.34 9.09 -0.12 0.35 -3.58 117.98 123.03 3d5d s PHE 28 Ca 0.17 -0.48 -0.26 0.00 -0.05 0.00 0.00 56.93 56.31 3d5d s PHE 28 Cb -0.11 0.75 -0.09 0.00 -0.63 0.00 0.00 43.02 42.94 3d5d s PHE 28 CO 0.07 -1.31 1.02 -1.58 -0.05 0.00 0.00 175.22 173.37 3d5d s TRP 29 N -3.14 3.51 0.04 3.49 0.52 0.71 -1.25 118.94 122.81 3d5d s TRP 29 Ca 0.13 1.72 0.01 0.00 0.02 0.00 0.00 56.10 57.98 3d5d s TRP 29 Cb -0.05 -3.10 -0.03 0.00 -1.15 0.00 0.00 33.47 29.15 3d5d s TRP 29 CO 0.08 -0.30 -0.05 0.08 0.02 0.00 0.00 176.95 176.78 3d5d s VAL 30 N -1.50 0.29 0.23 4.03 1.01 0.99 -1.53 120.40 123.92 3d5d s VAL 30 Ca 0.51 -1.18 -0.29 0.00 0.00 0.00 0.00 61.98 61.02 3d5d s VAL 30 Cb -0.24 -0.67 -0.15 0.00 0.00 0.00 0.00 36.38 35.32 3d5d s VAL 30 CO 0.30 -0.58 0.87 1.57 0.00 0.00 0.00 175.10 177.26 3d5d n HIS 31 N 1.20 0.65 -0.32 5.22 -0.00 -0.95 -3.14 115.22 117.88 3d5d n HIS 31 Ca -0.21 0.80 0.21 0.00 0.46 0.00 0.00 57.72 58.99 3d5d n HIS 31 Cb 0.56 -2.15 0.42 0.00 -0.12 0.00 0.00 29.99 28.71 3d5d n HIS 31 CO 0.00 0.00 0.00 -1.35 0.46 0.00 0.00 176.34 175.45 3d5d h PRO 32 N 1.89 0.15 -4.63 1.57 0.11 -1.92 -3.29 132.00 125.87 3d5d h PRO 32 Ca -0.36 -0.01 -0.70 0.00 0.11 0.00 0.00 66.00 65.04 3d5d h PRO 32 Cb 1.38 -0.03 -0.31 0.00 0.11 0.00 0.00 31.00 32.15 3d5d h PRO 32 CO 0.61 0.10 -0.60 0.15 -0.21 0.00 0.00 178.00 178.04 3d5d s LYS 33 N -5.76 2.45 -0.30 1.05 1.02 -1.26 -4.86 119.74 112.07 3d5d s LYS 33 Ca -0.11 -1.37 -0.12 0.00 0.02 0.00 0.00 55.97 54.39 3d5d s LYS 33 Cb 0.30 -3.45 0.15 0.00 -0.52 0.00 0.00 37.83 34.31 3d5d s LYS 33 CO 0.78 -0.77 0.84 0.00 -0.92 0.00 0.00 175.35 175.27 3d5d s ALA 34 N 1.31 -2.46 0.14 5.17 0.00 -1.24 -5.13 121.76 119.55 3d5d s ALA 34 Ca -0.00 2.12 -0.30 0.00 0.00 0.00 0.00 51.96 53.78 3d5d s ALA 34 Cb -0.21 -1.98 -0.07 0.00 0.00 0.00 0.00 23.12 20.86 3d5d s ALA 34 CO 0.00 -1.00 1.15 0.99 0.00 0.00 0.00 175.76 176.91 3d5d s THR 35 N 2.68 3.87 0.49 0.00 2.01 -1.26 -4.86 115.64 118.57 3d5d s THR 35 Ca -0.02 1.51 0.35 0.00 0.31 0.00 0.00 61.69 63.84 3d5d s THR 35 Cb -0.09 -3.96 0.56 0.00 0.01 0.00 0.00 72.50 69.01 3d5d s THR 35 CO -0.18 0.21 1.68 0.11 -0.69 0.00 0.00 174.62 175.75 3d5d h LYS 36 N 5.71 0.08 0.17 4.92 1.57 -1.98 0.48 116.57 127.52 3d5d h LYS 36 Ca -0.43 -0.00 -0.01 0.00 -1.87 0.00 0.00 60.65 58.33 3d5d h LYS 36 Cb 1.21 -0.02 0.00 0.00 0.08 0.00 0.00 32.23 33.51 3d5d h LYS 36 CO 0.76 0.05 -0.08 1.15 -0.57 0.00 0.00 179.45 180.76 3d5d h THR 37 N 0.08 0.95 -0.01 -0.16 2.02 -1.96 -0.89 112.91 112.94 3d5d h THR 37 Ca 0.75 -0.82 -0.06 0.00 0.77 0.00 0.00 66.41 67.05 3d5d h THR 37 Cb 2.65 1.43 -0.01 0.00 -1.74 0.00 0.00 68.15 70.48 3d5d h THR 37 CO -0.19 0.18 -0.29 1.05 0.37 0.00 0.00 175.52 176.65 3d5d h GLU 38 N -0.64 0.02 0.26 6.66 4.11 -1.03 -2.14 114.58 121.81 3d5d h GLU 38 Ca -0.02 -0.01 -0.01 0.00 0.07 0.00 0.00 59.36 59.39 3d5d h GLU 38 Cb 0.47 -0.00 -0.00 0.00 0.50 0.00 0.00 28.75 29.72 3d5d h GLU 38 CO 0.04 0.31 -0.15 0.82 0.07 0.00 0.00 179.01 180.09 3d5d h ILE 39 N 0.02 0.68 -0.07 -1.06 1.08 -0.13 0.58 117.51 118.60 3d5d h ILE 39 Ca 0.00 0.00 0.01 0.00 -0.39 0.00 0.00 64.86 64.48 3d5d h ILE 39 Cb 0.52 0.68 -0.01 0.00 -3.07 0.00 0.00 36.82 34.94 3d5d h ILE 39 CO 0.04 0.00 -0.04 1.17 -0.69 0.00 0.00 178.15 178.62 3d5d n LYS 40 N -5.27 -0.03 0.31 2.37 3.00 -0.35 0.11 118.16 118.30 3d5d n LYS 40 Ca -0.09 1.03 0.19 0.00 -0.00 0.00 0.00 58.31 59.44 3d5d n LYS 40 Cb 0.19 -1.54 1.05 0.00 0.00 0.00 0.00 35.03 34.74 3d5d n LYS 40 CO 0.00 0.00 0.00 -0.91 0.00 0.00 0.00 177.40 176.49 3d5d h ASN 41 N 0.00 0.00 0.00 3.14 -0.26 -1.27 0.52 115.58 117.71 3d5d h ASN 41 Ca 0.01 0.00 0.00 0.00 -0.56 0.00 0.00 56.30 55.75 3d5d h ASN 41 Cb 0.03 0.00 0.00 0.00 -1.06 0.00 0.00 38.32 37.29 3d5d h ASN 41 CO -0.07 0.00 0.00 0.00 -1.06 0.00 0.00 177.43 176.30 3d5d n ALA 42 N -2.16 -0.20 0.16 -0.83 0.00 0.20 -2.86 120.51 114.82 3d5d n ALA 42 Ca -0.02 0.00 0.06 0.00 0.00 0.00 0.00 53.44 53.47 3d5d n ALA 42 Cb 0.13 0.00 0.53 0.00 0.00 0.00 0.00 19.45 20.11 3d5d n ALA 42 CO 0.00 0.00 0.00 -0.24 0.00 0.00 0.00 177.50 177.26 3d5d h VAL 43 N 0.00 1.07 0.17 0.00 3.04 -0.96 -1.67 116.25 117.90 3d5d h VAL 43 Ca 0.00 -0.23 0.00 0.00 -1.01 0.00 0.00 66.70 65.46 3d5d h VAL 43 Cb 0.00 0.92 -0.03 0.00 -2.01 0.00 0.00 31.29 30.18 3d5d h VAL 43 CO 0.00 0.08 -0.38 -0.08 -1.01 0.00 0.00 177.57 176.19 3d5d h GLU 44 N 0.19 -0.57 -0.00 4.17 4.81 -0.99 -1.18 114.58 121.00 3d5d h GLU 44 Ca 0.05 0.04 0.00 0.00 -0.13 0.00 0.00 59.36 59.32 3d5d h GLU 44 Cb 0.07 0.13 0.00 0.00 0.63 0.00 0.00 28.75 29.58 3d5d h GLU 44 CO -0.00 -0.38 0.00 0.25 -0.73 0.00 0.00 179.01 178.14 3d5d n THR 45 N -4.61 0.00 0.05 0.32 -2.24 -1.13 -1.95 114.28 104.72 3d5d n THR 45 Ca -0.07 -0.02 0.10 0.00 -2.27 0.00 0.00 64.05 61.80 3d5d n THR 45 Cb 0.31 -0.40 -0.08 0.00 -2.10 0.00 0.00 70.33 68.05 3d5d n THR 45 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 3d5d n ALA 46 N -0.89 2.60 -1.71 6.98 0.00 -0.64 -4.40 120.51 122.46 3d5d n ALA 46 Ca 0.22 -0.39 0.02 0.00 0.00 0.00 0.00 53.44 53.28 3d5d n ALA 46 Cb 0.12 -0.92 0.03 0.00 0.00 0.00 0.00 19.45 18.67 3d5d n ALA 46 CO 0.00 0.00 0.00 1.19 0.00 0.00 0.00 177.50 178.69 3d5d n PHE 47 N -2.50 0.00 -0.68 0.00 3.01 -0.52 -4.99 117.46 111.77 3d5d n PHE 47 Ca -0.03 -0.20 0.00 0.00 1.01 0.00 0.00 57.45 58.23 3d5d n PHE 47 Cb 0.58 -0.06 0.00 0.00 -0.01 0.00 0.00 39.48 39.99 3d5d n PHE 47 CO 0.00 0.00 0.00 1.63 1.01 0.00 0.00 176.76 179.40 3d5d n LYS 48 N -0.28 -0.19 -4.03 -1.08 5.02 -0.82 -4.94 118.16 111.84 3d5d n LYS 48 Ca 0.03 0.05 -0.31 0.00 -2.02 0.00 0.00 58.31 56.06 3d5d n LYS 48 Cb 0.66 -4.05 -0.06 0.00 -0.02 0.00 0.00 35.03 31.57 3d5d n LYS 48 CO 0.00 0.00 0.00 0.14 -0.52 0.00 0.00 177.40 177.02 3d5d s VAL 49 N -1.71 4.67 -0.43 -0.18 -7.23 -1.06 -4.99 120.40 109.46 3d5d s VAL 49 Ca 0.00 -0.71 -0.13 0.00 -1.81 0.00 0.00 61.98 59.34 3d5d s VAL 49 Cb 0.00 -3.26 0.06 0.00 0.56 0.00 0.00 36.38 33.75 3d5d s VAL 49 CO 0.00 0.13 0.31 -0.75 -0.31 0.00 0.00 175.10 174.48 3d5d s LYS 50 N -2.41 2.82 1.28 4.82 2.36 -1.26 -4.12 119.74 123.23 3d5d s LYS 50 Ca 0.30 -1.32 -0.20 0.00 -2.55 0.00 0.00 55.97 52.20 3d5d s LYS 50 Cb -0.12 -3.94 0.31 0.00 -1.05 0.00 0.00 37.83 33.03 3d5d s LYS 50 CO 0.23 -0.93 1.03 0.08 1.55 0.00 0.00 175.35 177.31 3d5d s VAL 51 N 1.55 1.50 0.00 4.02 1.01 -1.26 -2.12 120.40 125.10 3d5d s VAL 51 Ca 0.03 0.00 0.00 0.00 0.00 0.00 0.00 61.98 62.01 3d5d s VAL 51 Cb -0.23 -2.30 0.00 0.00 0.00 0.00 0.00 36.38 33.85 3d5d s VAL 51 CO 0.05 0.00 0.00 0.52 0.00 0.00 0.00 175.10 175.67 3d5d n VAL 52 N -5.08 0.00 -3.73 2.92 0.31 0.12 -4.57 118.33 108.29 3d5d n VAL 52 Ca 0.12 0.00 -0.13 0.00 -0.01 0.00 0.00 64.34 64.31 3d5d n VAL 52 Cb 0.59 -0.07 -0.10 0.00 -0.91 0.00 0.00 33.84 33.36 3d5d n VAL 52 CO 0.00 0.00 0.00 -0.75 -1.32 0.00 0.00 176.83 174.76 3d5d s LYS 53 N -1.10 0.52 -0.02 5.55 2.20 -1.18 -5.00 119.74 120.71 3d5d s LYS 53 Ca 0.00 0.54 0.01 0.00 -0.36 0.00 0.00 55.97 56.16 3d5d s LYS 53 Cb 0.00 0.25 0.02 0.00 -1.51 0.00 0.00 37.83 36.59 3d5d s LYS 53 CO 0.00 -0.07 -0.01 0.08 -0.36 0.00 0.00 175.35 174.99 3d5d s VAL 54 N 0.11 0.20 0.16 4.02 1.01 -1.26 -0.20 120.40 124.44 3d5d s VAL 54 Ca -0.01 0.01 0.10 0.00 0.00 0.00 0.00 61.98 62.08 3d5d s VAL 54 Cb -0.03 -0.26 -0.04 0.00 0.00 0.00 0.00 36.38 36.05 3d5d s VAL 54 CO 0.01 0.12 -0.20 0.20 0.00 0.00 0.00 175.10 175.23 3d5d s ASN 55 N 0.67 3.70 0.12 3.32 0.02 -0.25 -4.99 114.94 117.53 3d5d s ASN 55 Ca -0.07 -0.70 0.08 0.00 -1.02 0.00 0.00 52.86 51.15 3d5d s ASN 55 Cb -0.10 -0.42 -0.04 0.00 0.02 0.00 0.00 41.25 40.71 3d5d s ASN 55 CO -0.01 0.15 -0.19 0.42 0.02 0.00 0.00 177.10 177.49 3d5d s THR 56 N -1.41 1.66 -0.27 1.60 -4.23 -1.26 -1.15 115.64 110.58 3d5d s THR 56 Ca 0.19 -1.67 -0.01 0.00 -1.18 0.00 0.00 61.69 59.02 3d5d s THR 56 Cb -0.09 -1.61 0.13 0.00 1.34 0.00 0.00 72.50 72.27 3d5d s THR 56 CO 0.10 -0.19 0.28 -0.76 -0.54 0.00 0.00 174.62 173.51 3d5d s LEU 57 N -2.20 -0.22 0.32 4.79 1.02 0.24 -5.00 118.68 117.64 3d5d s LEU 57 Ca 0.09 -0.60 -0.29 0.00 0.02 0.00 0.00 54.13 53.35 3d5d s LEU 57 Cb -0.08 0.50 -0.12 0.00 0.02 0.00 0.00 46.19 46.51 3d5d s LEU 57 CO 0.05 -0.37 1.47 1.41 0.02 0.00 0.00 176.35 178.92 3d5d n HIS 58 N 5.31 2.68 -3.88 0.29 8.25 -1.26 -1.24 115.22 125.37 3d5d n HIS 58 Ca -0.03 0.41 -0.30 0.00 -0.26 0.00 0.00 57.72 57.53 3d5d n HIS 58 Cb 0.47 -2.52 -0.15 0.00 1.12 0.00 0.00 29.99 28.91 3d5d n HIS 58 CO 0.00 0.00 0.00 0.08 0.64 0.00 0.00 176.34 177.06 3d5d s VAL 59 N -0.60 1.66 -0.02 1.59 1.01 -0.13 -4.89 120.40 119.02 3d5d s VAL 59 Ca 0.59 -2.02 -0.31 0.00 0.00 0.00 0.00 61.98 60.24 3d5d s VAL 59 Cb -0.53 -2.23 -0.10 0.00 0.00 0.00 0.00 36.38 33.52 3d5d s VAL 59 CO 0.57 -0.66 1.97 0.54 0.00 0.00 0.00 175.10 177.51 3d5d n ARG 60 N 4.40 2.59 -1.92 2.72 1.74 -1.26 -2.61 116.66 122.31 3d5d n ARG 60 Ca 0.02 0.94 -0.42 0.00 -0.77 0.00 0.00 57.85 57.62 3d5d n ARG 60 Cb 0.41 -2.91 -0.02 0.00 -1.02 0.00 0.00 32.46 28.92 3d5d n ARG 60 CO 0.00 0.00 0.00 0.20 -1.52 0.00 0.00 177.63 176.31 3d5d s GLY 61 N 4.62 2.04 1.28 -0.13 0.00 -1.26 -4.98 107.32 108.89 3d5d s GLY 61 Ca 0.91 1.41 -0.17 0.00 0.00 0.00 0.00 44.72 46.87 3d5d s GLY 61 CO 0.45 2.46 0.99 0.54 0.00 0.00 0.00 173.10 177.54 3d5d s LYS 62 N 0.02 -1.79 -0.66 2.90 1.02 -1.26 -4.65 119.74 115.32 3d5d s LYS 62 Ca 0.64 0.48 0.05 0.00 0.02 0.00 0.00 55.97 57.16 3d5d s LYS 62 Cb -0.44 -1.48 0.16 0.00 -0.52 0.00 0.00 37.83 35.55 3d5d s LYS 62 CO 0.41 -4.21 0.44 0.15 -0.92 0.00 0.00 175.35 171.22 3d5d s LYS 63 N -4.76 2.34 1.32 1.68 -0.14 -1.26 -2.65 119.74 116.27 3d5d s LYS 63 Ca 0.69 -3.17 -0.21 0.00 -1.36 0.00 0.00 55.97 51.91 3d5d s LYS 63 Cb -0.20 -3.39 0.33 0.00 -1.68 0.00 0.00 37.83 32.89 3d5d s LYS 63 CO 0.61 -1.24 1.03 0.21 -0.76 0.00 0.00 175.35 175.21 3d5d s LYS 64 N -1.17 -2.12 0.13 1.68 2.20 -1.24 -4.80 119.74 114.43 3d5d s LYS 64 Ca 0.23 -0.04 -0.25 0.00 -0.36 0.00 0.00 55.97 55.55 3d5d s LYS 64 Cb -0.10 -1.49 0.07 0.00 -1.51 0.00 0.00 37.83 34.80 3d5d s LYS 64 CO -0.13 -4.31 0.86 -0.98 -0.36 0.00 0.00 175.35 170.44 3d5d s ARG 65 N -5.32 1.20 -0.21 4.03 3.03 -1.26 -1.97 118.95 118.45 3d5d s ARG 65 Ca 0.70 -0.59 -0.13 0.00 2.03 0.00 0.00 55.73 57.74 3d5d s ARG 65 Cb -0.10 0.45 0.07 0.00 -1.03 0.00 0.00 34.95 34.34 3d5d s ARG 65 CO 0.57 -0.54 0.53 -1.17 -1.13 0.00 0.00 175.30 173.55 3d5d s LEU 66 N -2.79 -0.39 0.00 -1.89 0.20 -1.03 -4.94 118.68 107.84 3d5d s LEU 66 Ca 0.09 1.15 0.00 0.00 0.69 0.00 0.00 54.13 56.05 3d5d s LEU 66 Cb -0.02 1.80 0.00 0.00 -0.43 0.00 0.00 46.19 47.54 3d5d s LEU 66 CO -0.02 -0.21 0.00 0.61 -0.29 0.00 0.00 176.35 176.44 3d5d n GLY 67 N 4.03 0.97 0.62 7.98 0.00 -1.26 -1.75 105.19 115.77 3d5d n GLY 67 Ca -0.20 -0.72 0.00 0.00 0.00 0.00 0.00 46.02 45.09 3d5d n GLY 67 CO 0.00 0.00 0.00 -0.96 0.00 0.00 0.00 173.32 172.36 3d5d n ARG 68 N 0.00 0.82 -4.09 1.61 -4.01 -1.26 -4.79 116.66 104.95 3d5d n ARG 68 Ca 0.00 0.00 -0.34 0.00 -1.04 0.00 0.00 57.85 56.47 3d5d n ARG 68 Cb 0.00 -1.34 -0.14 0.00 -3.04 0.00 0.00 32.46 27.94 3d5d n ARG 68 CO 0.00 0.00 0.00 0.71 -3.04 0.00 0.00 177.63 175.30 3d5d s TYR 69 N -0.72 2.92 0.36 2.89 1.51 -0.72 -5.09 117.35 118.50 3d5d s TYR 69 Ca 0.00 -0.94 -0.28 0.00 -1.01 0.00 0.00 57.07 54.84 3d5d s TYR 69 Cb 0.00 -2.04 -0.10 0.00 -0.11 0.00 0.00 41.96 39.71 3d5d s TYR 69 CO 0.00 -0.50 1.39 -1.17 -1.11 0.00 0.00 175.55 174.16 3d5d s LEU 70 N 1.23 4.35 -0.05 -1.29 0.20 -1.26 -2.46 118.68 119.40 3d5d s LEU 70 Ca 0.03 2.85 0.06 0.00 0.69 0.00 0.00 54.13 57.75 3d5d s LEU 70 Cb -0.14 -3.69 -0.01 0.00 -0.43 0.00 0.00 46.19 41.91 3d5d s LEU 70 CO -0.03 -0.74 -0.24 -0.83 -0.29 0.00 0.00 176.35 174.23 3d5d s GLY 71 N -0.37 1.24 -0.44 7.98 0.00 -0.83 -4.86 107.32 110.03 3d5d s GLY 71 Ca 0.52 -1.00 0.02 0.00 0.00 0.00 0.00 44.72 44.26 3d5d s GLY 71 CO 0.57 -0.62 0.25 0.54 0.00 0.00 0.00 173.10 173.84 3d5d s LYS 72 N -0.16 1.30 0.99 2.90 1.02 -1.26 -3.60 119.74 120.94 3d5d s LYS 72 Ca -0.03 -2.03 -0.13 0.00 0.02 0.00 0.00 55.97 53.79 3d5d s LYS 72 Cb -0.13 -2.34 0.08 0.00 -0.52 0.00 0.00 37.83 34.92 3d5d s LYS 72 CO 0.03 -1.17 0.49 0.54 -0.92 0.00 0.00 175.35 174.32 3d5d n ARG 73 N 3.50 -0.72 -3.06 1.68 1.74 -1.09 -4.97 116.66 113.75 3d5d n ARG 73 Ca 0.09 -0.17 -0.32 0.00 -0.77 0.00 0.00 57.85 56.68 3d5d n ARG 73 Cb 0.35 -1.93 -0.06 0.00 -1.02 0.00 0.00 32.46 29.80 3d5d n ARG 73 CO 0.00 0.00 0.00 -1.25 -1.52 0.00 0.00 177.63 174.86 3d5d s PRO 74 N -3.81 3.97 0.98 5.56 0.04 -1.26 -4.64 135.00 135.85 3d5d s PRO 74 Ca 0.59 0.66 -0.16 0.00 0.04 0.00 0.00 61.00 62.13 3d5d s PRO 74 Cb -0.20 -2.41 0.20 0.00 0.04 0.00 0.00 34.50 32.14 3d5d s PRO 74 CO 0.66 0.11 1.29 -0.51 0.04 0.00 0.00 177.00 178.58 3d5d s ASP 75 N -2.43 2.96 0.11 6.66 1.11 -1.26 -3.98 116.67 119.83 3d5d s ASP 75 Ca 0.54 0.35 -0.26 0.00 0.18 0.00 0.00 52.55 53.37 3d5d s ASP 75 Cb -0.10 -0.45 0.07 0.00 1.07 0.00 0.00 42.92 43.51 3d5d s ASP 75 CO 0.20 -2.84 0.87 0.00 1.18 0.00 0.00 175.17 174.58 3d5d s ARG 76 N -5.81 1.12 -0.21 8.23 1.70 -1.07 -4.88 118.95 118.03 3d5d s ARG 76 Ca 0.73 -0.54 0.02 0.00 -0.47 0.00 0.00 55.73 55.47 3d5d s ARG 76 Cb -0.05 0.43 0.04 0.00 -0.57 0.00 0.00 34.95 34.80 3d5d s ARG 76 CO 0.53 -0.50 -0.15 0.21 -1.08 0.00 0.00 175.30 174.31 3d5d s LYS 77 N -3.33 2.51 -0.12 3.89 2.20 -1.19 -0.95 119.74 122.75 3d5d s LYS 77 Ca 0.08 -0.98 -0.24 0.00 -0.36 0.00 0.00 55.97 54.48 3d5d s LYS 77 Cb -0.02 -2.61 -0.03 0.00 -1.51 0.00 0.00 37.83 33.67 3d5d s LYS 77 CO -0.03 -0.37 0.75 0.21 -0.36 0.00 0.00 175.35 175.55 3d5d s LYS 78 N 1.27 4.35 -0.14 4.03 2.20 -0.37 -0.01 119.74 131.07 3d5d s LYS 78 Ca -0.01 0.91 0.01 0.00 -0.36 0.00 0.00 55.97 56.52 3d5d s LYS 78 Cb -0.16 -3.51 0.02 0.00 -1.51 0.00 0.00 37.83 32.67 3d5d s LYS 78 CO -0.09 -0.13 -0.14 0.00 -0.36 0.00 0.00 175.35 174.63 3d5d s ALA 79 N 1.47 1.75 -0.25 3.13 0.00 -0.38 -0.59 121.76 126.90 3d5d s ALA 79 Ca 0.37 -0.82 -0.04 0.00 0.00 0.00 0.00 51.96 51.47 3d5d s ALA 79 Cb -0.17 -0.99 0.01 0.00 0.00 0.00 0.00 23.12 21.97 3d5d s ALA 79 CO 0.15 -0.32 -0.03 -1.50 0.00 0.00 0.00 175.76 174.06 3d5d s ILE 80 N 1.41 3.28 0.35 0.00 2.07 -0.30 -0.49 121.20 127.53 3d5d s ILE 80 Ca 0.03 -0.75 0.07 0.00 -1.41 0.00 0.00 60.65 58.59 3d5d s ILE 80 Cb -0.13 -2.60 -0.02 0.00 0.13 0.00 0.00 42.46 39.84 3d5d s ILE 80 CO -0.08 0.26 0.37 0.68 -1.91 0.00 0.00 174.94 174.26 3d5d s VAL 81 N 1.42 3.50 -0.34 4.00 -7.23 -0.85 -1.09 120.40 119.80 3d5d s VAL 81 Ca 0.03 -1.24 -0.00 0.00 -1.81 0.00 0.00 61.98 58.96 3d5d s VAL 81 Cb -0.16 -3.20 0.11 0.00 0.56 0.00 0.00 36.38 33.70 3d5d s VAL 81 CO -0.03 -0.13 0.15 -1.58 -0.31 0.00 0.00 175.10 173.21 3d5d s GLN 82 N -4.09 0.74 0.52 4.82 2.00 0.72 -2.13 119.66 122.23 3d5d s GLN 82 Ca 0.44 -1.24 -0.19 0.00 -2.00 0.00 0.00 55.36 52.37 3d5d s GLN 82 Cb -0.07 -1.84 -0.07 0.00 0.80 0.00 0.00 33.01 31.83 3d5d s GLN 82 CO 0.28 -1.06 1.06 0.14 -0.50 0.00 0.00 175.29 175.21 3d5d s VAL 83 N 1.32 3.63 0.15 1.34 -7.23 -0.54 0.12 120.40 119.18 3d5d s VAL 83 Ca 0.13 0.97 -0.34 0.00 -1.81 0.00 0.00 61.98 60.93 3d5d s VAL 83 Cb -0.20 -3.39 -0.16 0.00 0.56 0.00 0.00 36.38 33.19 3d5d s VAL 83 CO -0.17 -0.26 1.23 0.00 -0.31 0.00 0.00 175.10 175.59 3d5d n ALA 84 N -1.23 -0.71 -1.53 1.32 0.00 -0.90 -4.76 120.51 112.70 3d5d n ALA 84 Ca 0.10 0.48 -0.41 0.00 0.00 0.00 0.00 53.44 53.60 3d5d n ALA 84 Cb 0.52 -2.06 -0.05 0.00 0.00 0.00 0.00 19.45 17.86 3d5d n ALA 84 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 177.50 177.15 3d5d n PRO 85 N 2.02 1.12 0.00 0.00 -0.04 -1.26 -2.47 135.00 134.37 3d5d n PRO 85 Ca 0.16 0.17 0.00 0.00 -0.04 0.00 0.00 63.50 63.79 3d5d n PRO 85 Cb 0.23 -2.95 0.00 0.00 -0.04 0.00 0.00 33.50 30.75 3d5d n PRO 85 CO 0.00 0.00 0.00 0.41 -0.04 0.00 0.00 175.50 175.87 3d5d n GLY 86 N 6.14 0.47 3.23 0.55 0.00 -1.26 -5.15 105.19 109.18 3d5d n GLY 86 Ca 0.40 0.00 -0.14 0.00 0.00 0.00 0.00 46.02 46.28 3d5d n GLY 86 CO 0.00 0.00 0.00 -0.86 0.00 0.00 0.00 173.32 172.46 3d5d s GLN 87 N 0.00 1.31 0.17 1.61 -2.07 -1.03 -5.18 119.66 114.47 3d5d s GLN 87 Ca 0.00 -1.71 -0.23 0.00 -1.82 0.00 0.00 55.36 51.60 3d5d s GLN 87 Cb 0.00 0.20 0.06 0.00 -1.09 0.00 0.00 33.01 32.18 3d5d s GLN 87 CO 0.00 -0.42 0.67 -1.59 -1.32 0.00 0.00 175.29 172.63 3d5d s LYS 88 N -4.04 1.33 -0.57 9.60 -2.85 -1.26 -4.95 119.74 117.01 3d5d s LYS 88 Ca 0.39 -0.56 -0.02 0.00 -1.00 0.00 0.00 55.97 54.78 3d5d s LYS 88 Cb 0.06 0.57 0.15 0.00 -2.06 0.00 0.00 37.83 36.55 3d5d s LYS 88 CO 0.14 -0.59 0.37 0.42 0.10 0.00 0.00 175.35 175.79 3d5d s ILE 89 N -3.71 3.46 0.62 3.79 -1.09 -1.26 -4.94 121.20 118.08 3d5d s ILE 89 Ca 0.04 -2.83 0.29 0.00 -2.23 0.00 0.00 60.65 55.92 3d5d s ILE 89 Cb -0.02 -3.30 0.34 0.00 -1.58 0.00 0.00 42.46 37.91 3d5d s ILE 89 CO -0.08 -0.83 1.90 -0.33 -1.23 0.00 0.00 174.94 174.38 3d5d h GLU 90 N 7.16 0.00 -0.01 2.79 5.08 -1.99 0.86 114.58 128.47 3d5d h GLU 90 Ca -0.04 0.00 -0.06 0.00 -1.00 0.00 0.00 59.36 58.25 3d5d h GLU 90 Cb 0.96 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.22 3d5d h GLU 90 CO 0.70 0.00 -0.23 0.00 -1.00 0.00 0.00 179.01 178.48 3d5d h ALA 91 N 1.41 0.04 0.00 3.43 0.00 -2.02 -3.23 119.26 118.89 3d5d h ALA 91 Ca 0.13 -0.45 0.00 0.00 0.00 0.00 0.00 54.91 54.58 3d5d h ALA 91 Cb 0.96 0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.76 3d5d h ALA 91 CO -0.00 0.07 0.00 -0.07 0.00 0.00 0.00 179.25 179.25 3d5d h LEU 92 N -0.48 0.00 0.00 0.00 3.38 -1.30 -3.38 115.31 113.52 3d5d h LEU 92 Ca -0.03 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.94 3d5d h LEU 92 Cb 0.97 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.72 3d5d h LEU 92 CO 0.05 0.00 0.00 -0.62 0.09 0.00 0.00 178.44 177.96 3d5d n GLU 93 N -3.07 0.00 -0.35 1.13 -0.58 -0.54 -5.08 120.64 112.15 3d5d n GLU 93 Ca -0.01 0.00 0.00 0.00 -0.42 0.00 0.00 57.16 56.73 3d5d n GLU 93 Cb 0.22 0.00 0.00 0.00 -0.57 0.00 0.00 31.44 31.09 3d5d n GLU 93 CO 0.00 0.00 0.00 0.41 -0.48 0.00 0.00 177.13 177.06