#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3ddi s GLN 2 N 0.00 1.57 -0.03 1.96 -0.21 -0.03 -4.90 119.66 118.01 3ddi s GLN 2 Ca 0.00 -1.76 0.07 0.00 0.02 0.00 0.00 55.36 53.69 3ddi s GLN 2 Cb 0.00 -1.40 -0.02 0.00 1.00 0.00 0.00 33.01 32.59 3ddi s GLN 2 CO 0.00 0.17 -0.25 1.03 -2.12 0.00 0.00 175.29 174.12 3ddi s ARG 3 N -3.63 2.20 0.16 2.91 0.52 -1.26 -1.73 118.95 118.11 3ddi s ARG 3 Ca 0.28 -0.89 0.06 0.00 -0.52 0.00 0.00 55.73 54.67 3ddi s ARG 3 Cb 0.00 -2.01 -0.04 0.00 0.52 0.00 0.00 34.95 33.42 3ddi s ARG 3 CO 0.12 0.47 -0.13 -0.08 0.02 0.00 0.00 175.30 175.70 3ddi s THR 4 N -0.42 1.42 -0.21 0.02 -1.32 -0.47 -4.77 115.64 109.90 3ddi s THR 4 Ca 0.05 -1.97 -0.06 0.00 -1.21 0.00 0.00 61.69 58.49 3ddi s THR 4 Cb -0.11 -1.79 -0.03 0.00 -1.51 0.00 0.00 72.50 69.06 3ddi s THR 4 CO 0.01 -0.56 0.04 -0.22 -2.21 0.00 0.00 174.62 171.67 3ddi s LEU 5 N -2.92 3.45 -0.08 9.08 1.98 -1.26 -1.35 118.68 127.58 3ddi s LEU 5 Ca 0.15 -0.13 0.03 0.00 -2.89 0.00 0.00 54.13 51.29 3ddi s LEU 5 Cb -0.02 -1.89 -0.02 0.00 0.66 0.00 0.00 46.19 44.93 3ddi s LEU 5 CO 0.04 0.07 -0.16 -0.69 -1.89 0.00 0.00 176.35 173.71 3ddi s VAL 6 N 1.01 2.83 -0.15 1.68 1.01 0.69 -2.02 120.40 125.45 3ddi s VAL 6 Ca 0.03 -0.78 -0.02 0.00 0.00 0.00 0.00 61.98 61.21 3ddi s VAL 6 Cb -0.14 -2.12 -0.02 0.00 0.00 0.00 0.00 36.38 34.10 3ddi s VAL 6 CO 0.02 0.57 -0.10 -0.76 0.00 0.00 0.00 175.10 174.83 3ddi s LEU 7 N -0.26 2.88 -0.27 3.92 1.43 -0.59 -0.11 118.68 125.68 3ddi s LEU 7 Ca 0.01 -0.28 -0.22 0.00 -1.03 0.00 0.00 54.13 52.61 3ddi s LEU 7 Cb -0.13 -1.67 -0.01 0.00 0.03 0.00 0.00 46.19 44.41 3ddi s LEU 7 CO 0.03 0.14 0.69 -0.63 0.23 0.00 0.00 176.35 176.82 3ddi s ILE 8 N 0.49 4.91 0.56 -0.59 -1.09 0.18 -0.67 121.20 125.00 3ddi s ILE 8 Ca -0.07 1.16 -0.05 0.00 -2.23 0.00 0.00 60.65 59.46 3ddi s ILE 8 Cb -0.15 -4.02 0.01 0.00 -1.58 0.00 0.00 42.46 36.71 3ddi s ILE 8 CO 0.04 -0.08 0.86 -0.54 -1.23 0.00 0.00 174.94 173.99 3ddi s LYS 9 N 2.67 2.95 0.53 2.79 1.02 -0.14 -2.31 119.74 127.25 3ddi s LYS 9 Ca 0.29 -0.10 0.24 0.00 0.02 0.00 0.00 55.97 56.42 3ddi s LYS 9 Cb -0.15 -2.33 1.38 0.00 -0.52 0.00 0.00 37.83 36.21 3ddi s LYS 9 CO 0.10 -0.61 2.01 -1.35 -0.92 0.00 0.00 175.35 174.57 3ddi h PRO 10 N -0.06 0.00 -0.03 -1.68 0.11 -1.81 -1.12 132.00 127.41 3ddi h PRO 10 Ca -0.45 -0.00 -0.08 0.00 0.11 0.00 0.00 66.00 65.58 3ddi h PRO 10 Cb 1.26 -0.00 -0.01 0.00 0.11 0.00 0.00 31.00 32.35 3ddi h PRO 10 CO 0.60 0.00 -0.34 0.38 -0.21 0.00 0.00 178.00 178.43 3ddi h ASP 11 N 0.01 0.05 -0.80 -2.05 2.03 -1.91 -1.58 116.42 112.17 3ddi h ASP 11 Ca 0.23 -0.02 -0.01 0.00 -0.73 0.00 0.00 57.03 56.51 3ddi h ASP 11 Cb 0.94 -0.01 -0.04 0.00 -0.83 0.00 0.00 39.33 39.38 3ddi h ASP 11 CO -0.00 0.40 0.47 0.00 -1.03 0.00 0.00 179.24 179.07 3ddi h ALA 12 N 1.61 1.02 -0.07 4.15 0.00 -1.46 -1.41 119.26 123.10 3ddi h ALA 12 Ca 0.00 -0.10 -0.01 0.00 0.00 0.00 0.00 54.91 54.80 3ddi h ALA 12 Cb 0.63 -0.32 -0.00 0.00 0.00 0.00 0.00 17.79 18.10 3ddi h ALA 12 CO 0.05 0.51 -0.01 0.74 0.00 0.00 0.00 179.25 180.54 3ddi h PHE 13 N 1.10 0.14 -0.71 0.00 -1.00 -1.45 0.34 116.94 115.36 3ddi h PHE 13 Ca 0.29 -0.03 0.09 0.00 2.81 0.00 0.00 57.97 61.13 3ddi h PHE 13 Cb -0.01 -0.03 -0.05 0.00 3.61 0.00 0.00 35.95 39.47 3ddi h PHE 13 CO -0.00 0.41 0.47 1.49 -1.61 0.00 0.00 178.31 179.07 3ddi h GLU 14 N -0.18 0.62 -0.26 1.51 4.57 -1.20 -2.40 114.58 117.24 3ddi h GLU 14 Ca 0.02 -0.04 0.00 0.00 -1.18 0.00 0.00 59.36 58.16 3ddi h GLU 14 Cb 0.36 -0.14 0.00 0.00 -0.16 0.00 0.00 28.75 28.81 3ddi h GLU 14 CO 0.00 0.41 0.00 0.54 -1.18 0.00 0.00 179.01 178.78 3ddi n ARG 15 N -4.49 2.35 -3.61 1.92 1.74 -0.54 -4.97 116.66 109.06 3ddi n ARG 15 Ca 0.11 -2.12 -0.21 0.00 -0.77 0.00 0.00 57.85 54.87 3ddi n ARG 15 Cb 0.31 -1.47 0.06 0.00 -1.02 0.00 0.00 32.46 30.33 3ddi n ARG 15 CO 0.00 0.00 0.00 0.43 -1.52 0.00 0.00 177.63 176.54 3ddi n SER 16 N 1.38 -2.01 -0.47 0.55 7.64 -0.60 -4.93 113.62 115.17 3ddi n SER 16 Ca 0.17 -0.73 0.04 0.00 1.01 0.00 0.00 58.87 59.36 3ddi n SER 16 Cb 0.58 -4.48 0.11 0.00 -1.01 0.00 0.00 64.21 59.41 3ddi n SER 16 CO 0.00 0.00 0.00 0.18 -3.01 0.00 0.00 175.04 172.21 3ddi n LEU 17 N -4.29 2.59 0.17 -3.43 4.77 0.11 -4.76 117.00 112.16 3ddi n LEU 17 Ca -0.26 -1.88 -0.14 0.00 -0.03 0.00 0.00 56.01 53.70 3ddi n LEU 17 Cb 0.66 -0.16 -0.07 0.00 -2.33 0.00 0.00 43.42 41.52 3ddi n LEU 17 CO 0.66 0.64 0.65 0.58 -1.33 0.00 0.00 177.39 178.59 3ddi h VAL 18 N 1.58 0.32 -0.79 4.08 2.07 -1.92 -1.29 116.25 120.30 3ddi h VAL 18 Ca 0.00 0.00 -0.03 0.00 0.82 0.00 0.00 66.70 67.49 3ddi h VAL 18 Cb 0.64 0.32 -0.04 0.00 -1.52 0.00 0.00 31.29 30.69 3ddi h VAL 18 CO 0.00 0.00 0.36 0.00 0.02 0.00 0.00 177.57 177.95 3ddi h ALA 19 N -0.04 1.15 -0.60 1.67 0.00 -1.94 -0.95 119.26 118.55 3ddi h ALA 19 Ca 0.00 -0.17 0.06 0.00 0.00 0.00 0.00 54.91 54.81 3ddi h ALA 19 Cb 0.60 -0.31 -0.05 0.00 0.00 0.00 0.00 17.79 18.02 3ddi h ALA 19 CO -0.12 0.63 0.31 1.49 0.00 0.00 0.00 179.25 181.57 3ddi h GLU 20 N 1.13 0.57 -0.01 0.00 4.57 -1.77 0.54 114.58 119.60 3ddi h GLU 20 Ca 0.27 -0.03 -0.01 0.00 -1.18 0.00 0.00 59.36 58.41 3ddi h GLU 20 Cb 0.14 -0.13 0.00 0.00 -0.16 0.00 0.00 28.75 28.60 3ddi h GLU 20 CO -0.03 0.37 -0.03 0.82 -1.18 0.00 0.00 179.01 178.96 3ddi h ILE 21 N 0.58 1.48 -0.68 2.32 2.04 -0.92 -2.63 117.51 119.70 3ddi h ILE 21 Ca 0.27 -1.46 0.01 0.00 1.00 0.00 0.00 64.86 64.68 3ddi h ILE 21 Cb 0.19 2.44 -0.03 0.00 -0.74 0.00 0.00 36.82 38.68 3ddi h ILE 21 CO -0.19 0.38 0.45 0.24 0.00 0.00 0.00 178.15 179.04 3ddi h MET 22 N -0.56 0.90 -0.43 2.37 2.86 -1.02 -2.30 114.93 116.76 3ddi h MET 22 Ca -0.00 -0.06 -0.06 0.00 -2.06 0.00 0.00 59.70 57.53 3ddi h MET 22 Cb 0.64 -0.20 -0.02 0.00 0.06 0.00 0.00 31.60 32.08 3ddi h MET 22 CO 0.01 0.60 0.03 0.78 1.06 0.00 0.00 176.91 179.38 3ddi h GLY 23 N 0.93 0.72 1.18 8.32 0.00 0.10 0.53 103.07 114.85 3ddi h GLY 23 Ca 0.25 -0.44 -0.05 0.00 0.00 0.00 0.00 47.33 47.08 3ddi h GLY 23 CO -0.05 0.41 0.21 3.21 0.00 0.00 0.00 176.54 180.32 3ddi h ARG 24 N 0.64 1.03 -0.05 4.80 3.08 -1.03 0.73 114.38 123.59 3ddi h ARG 24 Ca 0.13 -0.21 -0.24 0.00 0.07 0.00 0.00 59.98 59.74 3ddi h ARG 24 Cb 0.36 -0.16 0.02 0.00 0.08 0.00 0.00 29.97 30.27 3ddi h ARG 24 CO 0.01 0.88 -0.90 0.82 -1.07 0.00 0.00 179.97 179.71 3ddi h ILE 25 N 1.00 1.29 -0.85 2.04 2.04 -1.31 -3.16 117.51 118.56 3ddi h ILE 25 Ca 0.22 -2.13 0.04 0.00 1.00 0.00 0.00 64.86 63.99 3ddi h ILE 25 Cb 0.28 2.28 -0.05 0.00 -0.74 0.00 0.00 36.82 38.58 3ddi h ILE 25 CO -0.01 0.66 0.54 -0.08 0.00 0.00 0.00 178.15 179.26 3ddi h GLU 26 N 0.38 1.00 0.00 2.37 4.81 -0.69 -2.25 114.58 120.19 3ddi h GLU 26 Ca -0.10 -0.06 0.00 0.00 -0.13 0.00 0.00 59.36 59.07 3ddi h GLU 26 Cb 1.56 -0.22 0.00 0.00 0.63 0.00 0.00 28.75 30.71 3ddi h GLU 26 CO 0.18 0.66 0.00 0.87 -0.73 0.00 0.00 179.01 179.99 3ddi h LYS 27 N 1.03 0.00 -0.00 1.92 1.57 -0.88 -0.65 116.57 119.56 3ddi h LYS 27 Ca 0.35 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 59.13 3ddi h LYS 27 Cb 0.06 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.37 3ddi h LYS 27 CO -0.14 0.00 -0.19 1.17 -0.57 0.00 0.00 179.45 179.73 3ddi n LYS 28 N -2.97 0.51 -1.11 3.15 3.00 -0.86 -4.93 118.16 114.95 3ddi n LYS 28 Ca 0.00 -0.21 0.00 0.00 -0.00 0.00 0.00 58.31 58.11 3ddi n LYS 28 Cb 0.27 -1.50 0.00 0.00 0.00 0.00 0.00 35.03 33.80 3ddi n LYS 28 CO 0.00 0.00 0.00 -1.71 0.00 0.00 0.00 177.40 175.69 3ddi n ASN 29 N -1.06 -1.61 -4.79 3.14 5.15 -0.25 -5.06 115.26 110.77 3ddi n ASN 29 Ca 0.12 0.00 -0.37 0.00 -0.60 0.00 0.00 54.58 53.73 3ddi n ASN 29 Cb 0.31 -0.38 -0.06 0.00 -0.53 0.00 0.00 39.78 39.11 3ddi n ASN 29 CO 0.00 0.00 0.00 -0.36 1.40 0.00 0.00 177.26 178.30 3ddi s PHE 30 N -2.00 3.69 -0.10 1.20 0.40 -1.20 -5.01 117.98 114.97 3ddi s PHE 30 Ca 0.00 1.61 -0.03 0.00 -0.60 0.00 0.00 56.93 57.92 3ddi s PHE 30 Cb 0.00 -2.79 -0.03 0.00 0.51 0.00 0.00 43.02 40.71 3ddi s PHE 30 CO 0.00 0.29 0.01 0.15 0.70 0.00 0.00 175.22 176.37 3ddi s LYS 31 N -1.95 3.13 0.06 0.44 -0.14 -1.09 -4.63 119.74 115.57 3ddi s LYS 31 Ca 0.46 -0.39 -0.31 0.00 -1.36 0.00 0.00 55.97 54.37 3ddi s LYS 31 Cb -0.18 -2.86 -0.06 0.00 -1.68 0.00 0.00 37.83 33.05 3ddi s LYS 31 CO 0.23 0.64 1.23 0.42 -0.76 0.00 0.00 175.35 177.11 3ddi s ILE 32 N -0.71 3.94 -0.20 2.17 1.01 -1.26 -1.14 121.20 125.00 3ddi s ILE 32 Ca 0.11 1.38 0.01 0.00 0.00 0.00 0.00 60.65 62.15 3ddi s ILE 32 Cb -0.12 -3.89 -0.13 0.00 0.01 0.00 0.00 42.46 38.34 3ddi s ILE 32 CO 0.02 0.10 -0.18 0.52 0.00 0.00 0.00 174.94 175.40 3ddi n VAL 33 N 4.00 1.15 -3.95 2.92 0.31 0.26 -4.94 118.33 118.09 3ddi n VAL 33 Ca 0.10 -0.43 -0.10 0.00 -0.01 0.00 0.00 64.34 63.90 3ddi n VAL 33 Cb 0.46 -1.25 -0.10 0.00 -0.91 0.00 0.00 33.84 32.04 3ddi n VAL 33 CO 0.00 0.00 0.00 -0.44 -1.32 0.00 0.00 176.83 175.07 3ddi s SER 34 N -6.00 0.18 -0.15 4.52 0.01 -1.19 -4.98 113.70 106.09 3ddi s SER 34 Ca -0.27 -0.44 -0.11 0.00 1.31 0.00 0.00 55.95 56.44 3ddi s SER 34 Cb 0.07 0.16 0.05 0.00 0.21 0.00 0.00 66.02 66.50 3ddi s SER 34 CO 0.46 -0.37 0.38 -0.32 0.41 0.00 0.00 173.24 173.79 3ddi s MET 35 N -1.75 0.40 -0.04 12.44 0.00 -1.26 -0.86 119.30 128.23 3ddi s MET 35 Ca -0.13 0.62 0.00 0.00 0.00 0.00 0.00 55.69 56.19 3ddi s MET 35 Cb -0.07 0.09 0.02 0.00 0.00 0.00 0.00 34.83 34.87 3ddi s MET 35 CO -0.01 -0.10 -0.02 0.21 0.00 0.00 0.00 175.02 175.09 3ddi s LYS 36 N 0.76 0.63 -0.09 4.11 2.36 0.28 -5.00 119.74 122.79 3ddi s LYS 36 Ca -0.05 -0.01 -0.13 0.00 -2.55 0.00 0.00 55.97 53.23 3ddi s LYS 36 Cb -0.06 -0.76 -0.05 0.00 -1.05 0.00 0.00 37.83 35.92 3ddi s LYS 36 CO -0.05 -0.14 0.32 0.12 1.55 0.00 0.00 175.35 177.15 3ddi s PHE 37 N 1.15 3.59 -0.21 4.03 5.36 -1.26 -0.54 117.98 130.10 3ddi s PHE 37 Ca -0.08 0.75 0.01 0.00 -0.96 0.00 0.00 56.93 56.66 3ddi s PHE 37 Cb -0.14 -2.26 0.05 0.00 -0.34 0.00 0.00 43.02 40.33 3ddi s PHE 37 CO -0.01 0.48 -0.08 -1.58 -1.46 0.00 0.00 175.22 172.56 3ddi s TRP 38 N -0.38 2.38 0.26 10.12 0.52 0.77 -4.99 118.94 127.62 3ddi s TRP 38 Ca 0.20 -1.64 -0.03 0.00 0.02 0.00 0.00 56.10 54.65 3ddi s TRP 38 Cb -0.14 -1.60 0.39 0.00 -1.15 0.00 0.00 33.47 30.96 3ddi s TRP 38 CO 0.08 -0.75 1.87 0.66 0.02 0.00 0.00 176.95 178.83 3ddi h SER 39 N 7.97 0.96 -2.58 2.95 4.64 -1.92 -0.29 113.55 125.28 3ddi h SER 39 Ca -0.23 0.01 -0.10 0.00 -0.47 0.00 0.00 61.79 61.00 3ddi h SER 39 Cb 1.09 -0.19 -0.27 0.00 -0.31 0.00 0.00 62.40 62.72 3ddi h SER 39 CO 0.45 0.61 -0.36 -0.54 -0.87 0.00 0.00 176.83 176.12 3ddi s LYS 40 N -6.04 0.33 0.36 4.77 1.02 -1.26 -3.15 119.74 115.77 3ddi s LYS 40 Ca -0.12 1.02 -0.27 0.00 0.02 0.00 0.00 55.97 56.62 3ddi s LYS 40 Cb 0.20 0.30 -0.09 0.00 -0.52 0.00 0.00 37.83 37.72 3ddi s LYS 40 CO 0.80 -0.24 1.16 0.00 -0.92 0.00 0.00 175.35 176.15 3ddi s ALA 41 N 2.49 3.26 0.28 5.17 0.00 -1.26 -4.96 121.76 126.74 3ddi s ALA 41 Ca -0.03 0.96 -0.30 0.00 0.00 0.00 0.00 51.96 52.60 3ddi s ALA 41 Cb -0.12 -3.37 -0.11 0.00 0.00 0.00 0.00 23.12 19.52 3ddi s ALA 41 CO -0.13 -0.42 1.57 -2.14 0.00 0.00 0.00 175.76 174.64 3ddi s PRO 42 N -2.03 4.14 0.41 0.00 0.02 -1.26 -4.78 135.00 131.50 3ddi s PRO 42 Ca 0.53 2.53 0.14 0.00 0.02 0.00 0.00 61.00 64.22 3ddi s PRO 42 Cb -0.31 -3.04 1.00 0.00 0.02 0.00 0.00 34.50 32.17 3ddi s PRO 42 CO 0.40 -0.60 1.91 -0.09 -0.33 0.00 0.00 177.00 178.29 3ddi h ARG 43 N 4.93 0.46 -0.15 5.54 2.43 -1.96 -1.33 114.38 124.31 3ddi h ARG 43 Ca -0.47 -0.03 -0.08 0.00 -0.81 0.00 0.00 59.98 58.60 3ddi h ARG 43 Cb 1.22 -0.10 -0.01 0.00 -0.42 0.00 0.00 29.97 30.65 3ddi h ARG 43 CO 0.80 0.30 -0.25 -0.97 -1.51 0.00 0.00 179.97 178.34 3ddi h ASN 44 N 0.47 0.26 -0.36 -3.80 -0.73 -1.99 -0.30 115.58 109.13 3ddi h ASN 44 Ca 0.38 -0.08 -0.08 0.00 1.87 0.00 0.00 56.30 58.39 3ddi h ASN 44 Cb 0.81 -0.07 -0.01 0.00 0.27 0.00 0.00 38.32 39.32 3ddi h ASN 44 CO -0.13 0.52 -0.09 0.25 -0.37 0.00 0.00 177.43 177.61 3ddi h LEU 45 N 0.24 0.71 -0.55 0.34 5.85 -1.62 -1.57 115.31 118.71 3ddi h LEU 45 Ca 0.04 -0.36 0.04 0.00 0.84 0.00 0.00 57.88 58.43 3ddi h LEU 45 Cb 0.57 -0.19 -0.04 0.00 0.37 0.00 0.00 40.66 41.37 3ddi h LEU 45 CO 0.04 0.91 0.31 0.40 -0.34 0.00 0.00 178.44 179.76 3ddi h ILE 46 N 0.50 1.01 -0.23 4.05 1.08 -1.20 0.94 117.51 123.66 3ddi h ILE 46 Ca 0.09 -0.21 -0.07 0.00 -0.39 0.00 0.00 64.86 64.28 3ddi h ILE 46 Cb 0.60 0.35 -0.01 0.00 -3.07 0.00 0.00 36.82 34.68 3ddi h ILE 46 CO 0.04 0.11 -0.17 -0.33 -0.69 0.00 0.00 178.15 177.11 3ddi h GLU 47 N 0.61 0.38 -0.15 2.37 5.08 -0.85 -0.59 114.58 121.43 3ddi h GLU 47 Ca 0.23 -0.11 -0.08 0.00 -1.00 0.00 0.00 59.36 58.40 3ddi h GLU 47 Cb 0.08 -0.04 -0.00 0.00 0.50 0.00 0.00 28.75 29.29 3ddi h GLU 47 CO -0.13 0.55 -0.22 1.96 -1.00 0.00 0.00 179.01 180.16 3ddi h GLN 48 N 0.35 0.42 -0.91 2.33 1.08 -0.89 -0.64 115.11 116.86 3ddi h GLN 48 Ca 0.06 -0.25 0.10 0.00 -1.45 0.00 0.00 58.65 57.11 3ddi h GLN 48 Cb 0.50 0.02 -0.08 0.00 -0.05 0.00 0.00 27.48 27.88 3ddi h GLN 48 CO 0.03 0.84 0.55 1.25 -0.95 0.00 0.00 178.83 180.55 3ddi h HIS 49 N 0.05 1.00 -0.64 2.96 2.76 -0.43 -2.01 115.15 118.84 3ddi h HIS 49 Ca 0.02 0.03 -0.23 0.00 -2.20 0.00 0.00 60.37 57.98 3ddi h HIS 49 Cb 0.79 -0.31 -0.14 0.00 1.55 0.00 0.00 27.41 29.30 3ddi h HIS 49 CO 0.09 0.42 0.23 0.66 -1.30 0.00 0.00 177.93 178.03 3ddi n TYR 50 N -4.67 2.08 -0.10 5.26 0.53 -0.26 -4.70 117.16 115.30 3ddi n TYR 50 Ca 0.16 -1.35 0.21 0.00 -1.02 0.00 0.00 57.90 55.89 3ddi n TYR 50 Cb 0.29 -0.64 0.64 0.00 -1.03 0.00 0.00 39.34 38.60 3ddi n TYR 50 CO 0.00 0.00 0.00 1.57 -1.02 0.00 0.00 176.86 177.41 3ddi h LYS 51 N 1.91 0.13 0.00 -0.72 2.10 -0.33 0.30 116.57 119.97 3ddi h LYS 51 Ca 0.29 -0.01 0.00 0.00 -2.00 0.00 0.00 60.65 58.93 3ddi h LYS 51 Cb 2.17 -0.03 0.00 0.00 -0.90 0.00 0.00 32.23 33.47 3ddi h LYS 51 CO 0.66 0.09 0.00 0.93 -2.00 0.00 0.00 179.45 179.13 3ddi h GLU 52 N 0.14 0.00 -0.51 0.07 5.08 -1.84 -2.57 114.58 114.95 3ddi h GLU 52 Ca 0.33 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.69 3ddi h GLU 52 Cb 1.13 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.38 3ddi h GLU 52 CO -0.05 0.00 0.00 0.72 -1.00 0.00 0.00 179.01 178.68 3ddi n HIS 53 N -2.62 0.68 0.14 4.33 8.25 0.10 -4.69 115.22 121.42 3ddi n HIS 53 Ca -0.00 -0.50 0.15 0.00 -0.26 0.00 0.00 57.72 57.11 3ddi n HIS 53 Cb 0.17 -0.02 0.69 0.00 1.12 0.00 0.00 29.99 31.96 3ddi n HIS 53 CO 0.00 0.00 0.00 0.66 0.64 0.00 0.00 176.34 177.64 3ddi h SER 54 N 2.97 0.00 0.01 0.41 4.64 -1.49 -1.02 113.55 119.07 3ddi h SER 54 Ca 0.00 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.32 3ddi h SER 54 Cb 0.84 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.93 3ddi h SER 54 CO 0.00 0.00 -0.18 -0.62 -0.87 0.00 0.00 176.83 175.16 3ddi n GLU 55 N -4.36 1.72 -2.30 4.77 -0.58 -1.26 -4.87 120.64 113.76 3ddi n GLU 55 Ca 0.03 -1.34 -0.36 0.00 -0.42 0.00 0.00 57.16 55.08 3ddi n GLU 55 Cb 0.35 -1.47 -0.01 0.00 -0.57 0.00 0.00 31.44 29.74 3ddi n GLU 55 CO 0.00 0.00 0.00 -0.65 -0.48 0.00 0.00 177.13 176.00 3ddi s GLN 56 N -2.20 3.55 0.57 3.49 -1.52 -0.39 -4.92 119.66 118.24 3ddi s GLN 56 Ca 0.26 1.63 0.35 0.00 -1.95 0.00 0.00 55.36 55.65 3ddi s GLN 56 Cb 0.19 -2.15 1.66 0.00 -0.22 0.00 0.00 33.01 32.49 3ddi s GLN 56 CO 0.41 -0.69 2.10 0.66 -0.25 0.00 0.00 175.29 177.53 3ddi h SER 57 N 1.54 0.00 0.07 5.90 4.64 -1.92 -2.34 113.55 121.44 3ddi h SER 57 Ca -0.50 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 60.82 3ddi h SER 57 Cb 1.25 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.34 3ddi h SER 57 CO 0.58 0.04 -0.09 0.00 -0.87 0.00 0.00 176.83 176.49 3ddi n TYR 58 N -3.23 0.00 -0.13 4.77 0.18 -1.26 -4.50 117.16 112.99 3ddi n TYR 58 Ca -0.01 0.00 -0.04 0.00 1.88 0.00 0.00 57.90 59.73 3ddi n TYR 58 Cb 0.23 -0.04 0.03 0.00 -0.38 0.00 0.00 39.34 39.18 3ddi n TYR 58 CO 0.00 0.00 0.00 0.35 -2.08 0.00 0.00 176.86 175.13 3ddi h PHE 59 N 2.11 -0.07 -0.29 -3.48 3.04 -1.65 0.20 116.94 116.81 3ddi h PHE 59 Ca 0.00 0.03 -0.18 0.00 3.98 0.00 0.00 57.97 61.81 3ddi h PHE 59 Cb 0.53 0.09 -0.00 0.00 2.56 0.00 0.00 35.95 39.14 3ddi h PHE 59 CO 0.00 -0.11 -0.51 -0.97 -2.02 0.00 0.00 178.31 174.70 3ddi h ASN 60 N 0.08 0.92 -0.86 0.41 -0.73 -1.83 -1.07 115.58 112.49 3ddi h ASN 60 Ca 0.20 -0.47 -0.02 0.00 1.87 0.00 0.00 56.30 57.88 3ddi h ASN 60 Cb 0.30 -0.26 -0.04 0.00 0.27 0.00 0.00 38.32 38.59 3ddi h ASN 60 CO -0.36 1.26 0.47 0.44 -0.37 0.00 0.00 177.43 178.86 3ddi h ASP 61 N 0.65 1.09 -0.16 1.15 3.32 -1.76 0.15 116.42 120.86 3ddi h ASP 61 Ca 0.02 -0.10 -0.00 0.00 0.02 0.00 0.00 57.03 56.97 3ddi h ASP 61 Cb 1.10 -0.28 -0.01 0.00 0.22 0.00 0.00 39.33 40.37 3ddi h ASP 61 CO 0.11 0.88 0.10 0.25 -1.72 0.00 0.00 179.24 178.86 3ddi h LEU 62 N 1.21 0.19 -0.42 1.55 5.85 -0.41 -1.12 115.31 122.16 3ddi h LEU 62 Ca 0.30 -0.03 -0.06 0.00 0.84 0.00 0.00 57.88 58.93 3ddi h LEU 62 Cb 0.04 -0.05 -0.02 0.00 0.37 0.00 0.00 40.66 41.01 3ddi h LEU 62 CO -0.05 0.17 0.02 0.00 -0.34 0.00 0.00 178.44 178.24 3ddi h ASP 64 N 0.57 0.11 -0.66 0.00 3.32 -0.90 -2.26 116.42 116.60 3ddi h ASP 64 Ca 0.12 0.09 -0.05 0.00 0.02 0.00 0.00 57.03 57.21 3ddi h ASP 64 Cb 0.45 0.09 -0.03 0.00 0.22 0.00 0.00 39.33 40.07 3ddi h ASP 64 CO 0.02 0.08 0.21 0.15 -1.72 0.00 0.00 179.24 177.98 3ddi h PHE 65 N 0.32 1.05 0.00 4.55 3.04 -0.94 -2.44 116.94 122.52 3ddi h PHE 65 Ca 0.28 -0.10 0.00 0.00 3.98 0.00 0.00 57.97 62.13 3ddi h PHE 65 Cb 0.37 -0.31 0.00 0.00 2.56 0.00 0.00 35.95 38.57 3ddi h PHE 65 CO -0.20 0.85 0.00 0.52 -2.02 0.00 0.00 178.31 177.46 3ddi h MET 66 N 0.95 0.00 -0.34 1.11 2.86 -0.78 -1.52 114.93 117.21 3ddi h MET 66 Ca 0.21 0.00 0.00 0.00 -2.06 0.00 0.00 59.70 57.85 3ddi h MET 66 Cb 0.29 0.00 0.00 0.00 0.06 0.00 0.00 31.60 31.95 3ddi h MET 66 CO -0.01 0.00 0.00 1.33 1.06 0.00 0.00 176.91 179.29 3ddi n VAL 67 N -2.58 0.53 0.77 -2.22 0.24 -0.90 -4.55 118.33 109.62 3ddi n VAL 67 Ca 0.02 -0.76 0.12 0.00 -2.04 0.00 0.00 64.34 61.68 3ddi n VAL 67 Cb 0.28 0.93 0.50 0.00 -1.47 0.00 0.00 33.84 34.08 3ddi n VAL 67 CO 0.00 0.00 0.00 -1.54 -2.14 0.00 0.00 176.83 173.15 3ddi n SER 68 N 1.22 0.21 -1.83 -1.34 3.41 -0.57 -4.82 113.62 109.89 3ddi n SER 68 Ca 0.16 0.53 -0.01 0.00 -0.26 0.00 0.00 58.87 59.29 3ddi n SER 68 Cb 0.53 -0.58 0.01 0.00 -0.26 0.00 0.00 64.21 63.91 3ddi n SER 68 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 3ddi n GLY 69 N 1.01 1.02 3.77 5.00 0.00 -1.26 -5.08 105.19 109.64 3ddi n GLY 69 Ca 0.06 -1.00 -0.30 0.00 0.00 0.00 0.00 46.02 44.78 3ddi n GLY 69 CO 0.00 0.00 0.00 -4.14 0.00 0.00 0.00 173.32 169.18 3ddi s PRO 70 N -2.02 1.86 0.02 1.61 0.02 -1.19 -4.55 135.00 130.74 3ddi s PRO 70 Ca 0.08 0.78 0.02 0.00 0.02 0.00 0.00 61.00 61.90 3ddi s PRO 70 Cb -0.01 -1.88 -0.01 0.00 0.02 0.00 0.00 34.50 32.62 3ddi s PRO 70 CO 0.02 -1.82 -0.06 0.42 -0.33 0.00 0.00 177.00 175.23 3ddi s ILE 71 N -3.04 0.46 -0.17 2.83 1.01 -0.12 -2.95 121.20 119.22 3ddi s ILE 71 Ca 0.62 -0.58 -0.03 0.00 0.00 0.00 0.00 60.65 60.66 3ddi s ILE 71 Cb -0.16 -0.45 -0.02 0.00 0.01 0.00 0.00 42.46 41.84 3ddi s ILE 71 CO 0.55 -0.09 -0.07 -0.63 0.00 0.00 0.00 174.94 174.70 3ddi s ILE 72 N -0.65 3.41 -0.13 2.92 1.01 -0.98 -0.16 121.20 126.62 3ddi s ILE 72 Ca -0.03 -0.51 -0.07 0.00 0.00 0.00 0.00 60.65 60.04 3ddi s ILE 72 Cb -0.05 -2.49 -0.04 0.00 0.01 0.00 0.00 42.46 39.88 3ddi s ILE 72 CO 0.00 0.48 0.11 -0.94 0.00 0.00 0.00 174.94 174.59 3ddi s SER 73 N 0.79 6.11 -0.02 3.58 1.04 0.30 -0.65 113.70 124.86 3ddi s SER 73 Ca -0.03 0.35 0.00 0.00 0.48 0.00 0.00 55.95 56.76 3ddi s SER 73 Cb -0.15 -1.96 0.01 0.00 0.10 0.00 0.00 66.02 64.02 3ddi s SER 73 CO 0.02 0.35 -0.00 -0.63 0.98 0.00 0.00 173.24 173.96 3ddi s ILE 74 N -0.70 0.13 -0.31 -1.02 1.01 0.85 -0.55 121.20 120.60 3ddi s ILE 74 Ca 0.13 0.03 -0.11 0.00 0.00 0.00 0.00 60.65 60.70 3ddi s ILE 74 Cb -0.12 -0.18 -0.03 0.00 0.01 0.00 0.00 42.46 42.15 3ddi s ILE 74 CO 0.03 0.09 0.20 -0.69 0.00 0.00 0.00 174.94 174.56 3ddi s VAL 75 N 0.55 5.10 0.01 2.92 1.01 -0.04 -0.22 120.40 129.74 3ddi s VAL 75 Ca -0.05 -0.11 0.00 0.00 0.00 0.00 0.00 61.98 61.82 3ddi s VAL 75 Cb -0.08 -3.53 -0.04 0.00 0.00 0.00 0.00 36.38 32.73 3ddi s VAL 75 CO -0.01 0.12 0.09 -0.31 0.00 0.00 0.00 175.10 174.99 3ddi s TYR 76 N 1.71 3.29 -0.01 5.22 1.51 -0.46 -0.57 117.35 128.04 3ddi s TYR 76 Ca 0.06 0.19 0.06 0.00 -1.01 0.00 0.00 57.07 56.37 3ddi s TYR 76 Cb -0.17 -1.72 -0.01 0.00 -0.11 0.00 0.00 41.96 39.95 3ddi s TYR 76 CO 0.09 0.55 -0.18 -2.00 -1.11 0.00 0.00 175.55 172.91 3ddi s GLU 77 N -1.89 1.42 0.00 -0.62 2.12 -0.30 -1.37 118.70 118.07 3ddi s GLU 77 Ca 0.25 -0.65 0.00 0.00 0.36 0.00 0.00 54.97 54.92 3ddi s GLU 77 Cb -0.12 -1.39 0.00 0.00 0.26 0.00 0.00 34.13 32.88 3ddi s GLU 77 CO 0.16 0.38 0.00 0.41 -0.54 0.00 0.00 175.26 175.67 3ddi n GLY 78 N 2.59 1.55 3.70 -1.50 0.00 -0.70 -2.67 105.19 108.15 3ddi n GLY 78 Ca -0.15 -0.87 -0.42 0.00 0.00 0.00 0.00 46.02 44.58 3ddi n GLY 78 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 3ddi s THR 79 N -2.00 2.84 -1.35 2.61 -4.23 -1.26 -0.85 115.64 111.39 3ddi s THR 79 Ca 0.00 0.42 -0.08 0.00 -1.18 0.00 0.00 61.69 60.85 3ddi s THR 79 Cb 0.00 -3.27 0.06 0.00 1.34 0.00 0.00 72.50 70.63 3ddi s THR 79 CO 0.00 0.01 0.52 0.47 -0.54 0.00 0.00 174.62 175.08 3ddi n ASP 80 N 5.08 -4.31 0.06 3.99 10.43 -1.26 -4.86 116.55 125.68 3ddi n ASP 80 Ca 0.15 -0.36 0.06 0.00 2.57 0.00 0.00 54.79 57.21 3ddi n ASP 80 Cb 0.40 -3.54 0.50 0.00 1.84 0.00 0.00 41.12 40.32 3ddi n ASP 80 CO 0.00 0.00 0.00 0.00 -1.07 0.00 0.00 177.20 176.13 3ddi h ALA 81 N 0.98 1.85 0.53 2.24 0.00 -1.68 -2.08 119.26 121.10 3ddi h ALA 81 Ca -0.45 -0.02 -0.03 0.00 0.00 0.00 0.00 54.91 54.41 3ddi h ALA 81 Cb 1.31 -0.11 0.01 0.00 0.00 0.00 0.00 17.79 19.00 3ddi h ALA 81 CO 0.54 0.12 -0.26 0.82 0.00 0.00 0.00 179.25 180.48 3ddi h ILE 82 N 0.38 0.38 -0.36 0.00 2.04 -1.88 -1.46 117.51 116.61 3ddi h ILE 82 Ca 0.13 -0.33 -0.09 0.00 1.00 0.00 0.00 64.86 65.57 3ddi h ILE 82 Cb 0.06 0.50 -0.02 0.00 -0.74 0.00 0.00 36.82 36.62 3ddi h ILE 82 CO -0.03 0.04 -0.16 0.77 0.00 0.00 0.00 178.15 178.77 3ddi h SER 83 N -0.95 0.65 -0.41 1.72 4.64 -1.86 -2.30 113.55 115.05 3ddi h SER 83 Ca -0.07 -0.20 -0.08 0.00 -0.47 0.00 0.00 61.79 60.97 3ddi h SER 83 Cb 0.62 -0.18 -0.01 0.00 -0.31 0.00 0.00 62.40 62.52 3ddi h SER 83 CO 0.12 0.82 -0.06 0.11 -0.87 0.00 0.00 176.83 176.96 3ddi h LYS 84 N 0.59 0.76 -0.09 4.77 1.57 -1.37 -1.71 116.57 121.10 3ddi h LYS 84 Ca 0.10 -0.27 -0.13 0.00 -1.87 0.00 0.00 60.65 58.47 3ddi h LYS 84 Cb 0.61 -0.05 -0.01 0.00 0.08 0.00 0.00 32.23 32.86 3ddi h LYS 84 CO 0.04 0.87 -0.52 0.82 -0.57 0.00 0.00 179.45 180.09 3ddi h ILE 85 N 0.58 1.35 -0.91 1.86 2.04 -1.22 -1.73 117.51 119.48 3ddi h ILE 85 Ca 0.11 -1.79 0.02 0.00 1.00 0.00 0.00 64.86 64.20 3ddi h ILE 85 Cb 0.57 1.87 -0.05 0.00 -0.74 0.00 0.00 36.82 38.46 3ddi h ILE 85 CO 0.03 0.53 0.60 0.03 0.00 0.00 0.00 178.15 179.34 3ddi h ARG 86 N 0.20 1.15 -0.27 2.37 2.47 -1.23 0.35 114.38 119.41 3ddi h ARG 86 Ca 0.00 -0.07 -0.13 0.00 -1.26 0.00 0.00 59.98 58.52 3ddi h ARG 86 Cb 0.99 -0.26 -0.01 0.00 -1.65 0.00 0.00 29.97 29.04 3ddi h ARG 86 CO 0.08 0.76 -0.38 0.00 0.56 0.00 0.00 179.97 180.99 3ddi h ARG 87 N 1.18 0.63 -0.50 0.04 3.08 -0.75 -2.60 114.38 115.46 3ddi h ARG 87 Ca 0.35 -0.31 -0.08 0.00 0.07 0.00 0.00 59.98 60.01 3ddi h ARG 87 Cb -0.06 0.00 -0.02 0.00 0.08 0.00 0.00 29.97 29.97 3ddi h ARG 87 CO -0.10 0.91 -0.01 -0.07 -1.07 0.00 0.00 179.97 179.63 3ddi h LEU 88 N 0.52 0.82 -0.06 3.04 3.38 -0.96 -3.20 115.31 118.85 3ddi h LEU 88 Ca 0.05 -0.21 0.03 0.00 0.09 0.00 0.00 57.88 57.83 3ddi h LEU 88 Cb 0.89 -0.22 -0.03 0.00 0.09 0.00 0.00 40.66 41.39 3ddi h LEU 88 CO 0.08 0.89 -0.10 -0.61 0.09 0.00 0.00 178.44 178.79 3ddi h GLN 89 N 0.79 -0.14 0.00 1.13 4.15 -0.59 0.53 115.11 120.97 3ddi h GLN 89 Ca 0.15 0.01 0.00 0.00 0.77 0.00 0.00 58.65 59.58 3ddi h GLN 89 Cb 0.49 0.03 0.00 0.00 0.21 0.00 0.00 27.48 28.21 3ddi h GLN 89 CO 0.02 -0.09 0.00 0.41 -1.93 0.00 0.00 178.83 177.24 3ddi n GLY 90 N -1.24 0.44 3.74 2.39 0.00 -1.01 -1.16 105.19 108.35 3ddi n GLY 90 Ca -0.04 -1.72 -0.36 0.00 0.00 0.00 0.00 46.02 43.89 3ddi n GLY 90 CO 0.00 0.00 0.00 0.21 0.00 0.00 0.00 173.32 173.53 3ddi s ASN 91 N -1.45 4.71 0.26 1.61 3.84 -1.26 -4.83 114.94 117.81 3ddi s ASN 91 Ca 0.00 2.48 -0.05 0.00 0.21 0.00 0.00 52.86 55.50 3ddi s ASN 91 Cb 0.00 -2.60 0.32 0.00 -0.55 0.00 0.00 41.25 38.41 3ddi s ASN 91 CO 0.00 -1.93 1.94 0.74 -2.79 0.00 0.00 177.10 175.06 3ddi h THR 92 N 0.46 1.24 -3.24 -5.21 2.02 -1.94 -3.39 112.91 102.84 3ddi h THR 92 Ca -0.50 -0.44 -0.59 0.00 0.77 0.00 0.00 66.41 65.65 3ddi h THR 92 Cb 1.31 -0.17 -0.08 0.00 -1.74 0.00 0.00 68.15 67.47 3ddi h THR 92 CO 0.53 0.24 0.53 0.21 0.37 0.00 0.00 175.52 177.40 3ddi s ASN 93 N -6.15 6.92 0.45 4.18 3.84 -1.26 -4.43 114.94 118.49 3ddi s ASN 93 Ca -0.13 1.15 0.28 0.00 0.21 0.00 0.00 52.86 54.37 3ddi s ASN 93 Cb 0.18 -2.46 1.51 0.00 -0.55 0.00 0.00 41.25 39.93 3ddi s ASN 93 CO 0.81 -0.53 1.84 -0.65 -2.79 0.00 0.00 177.10 175.78 3ddi h PRO 94 N 7.56 0.00 0.00 0.43 0.11 -1.84 0.33 132.00 138.58 3ddi h PRO 94 Ca -0.23 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.88 3ddi h PRO 94 Cb 1.09 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.20 3ddi h PRO 94 CO 0.89 0.00 -0.08 1.28 -0.21 0.00 0.00 178.00 179.88 3ddi n LEU 95 N -2.51 0.18 0.00 2.35 4.77 -1.26 -4.28 117.00 116.25 3ddi n LEU 95 Ca -0.02 0.44 0.00 0.00 -0.03 0.00 0.00 56.01 56.40 3ddi n LEU 95 Cb 0.11 -0.44 0.00 0.00 -2.33 0.00 0.00 43.42 40.76 3ddi n LEU 95 CO 0.12 -0.01 -0.36 0.00 -1.33 0.00 0.00 177.39 175.81 3ddi n ALA 96 N -1.54 1.57 -1.79 -1.18 0.00 0.10 -5.05 120.51 112.62 3ddi n ALA 96 Ca 0.07 0.00 -0.42 0.00 0.00 0.00 0.00 53.44 53.09 3ddi n ALA 96 Cb 0.35 0.08 -0.03 0.00 0.00 0.00 0.00 19.45 19.85 3ddi n ALA 96 CO 0.00 0.00 0.00 -1.54 0.00 0.00 0.00 177.50 175.96 3ddi s SER 97 N -1.88 6.44 0.11 0.00 1.04 -0.40 -4.76 113.70 114.25 3ddi s SER 97 Ca 0.00 2.79 -0.25 0.00 0.48 0.00 0.00 55.95 58.97 3ddi s SER 97 Cb 0.00 -2.60 -0.07 0.00 0.10 0.00 0.00 66.02 63.45 3ddi s SER 97 CO 0.00 -0.93 0.76 0.00 0.98 0.00 0.00 173.24 174.05 3ddi s ALA 98 N 1.21 3.43 0.37 5.32 0.00 -1.26 -4.45 121.76 126.37 3ddi s ALA 98 Ca 0.74 0.31 -0.27 0.00 0.00 0.00 0.00 51.96 52.74 3ddi s ALA 98 Cb -0.48 -2.96 -0.12 0.00 0.00 0.00 0.00 23.12 19.57 3ddi s ALA 98 CO 0.32 0.21 1.19 -2.30 0.00 0.00 0.00 175.76 175.18 3ddi n PRO 99 N 2.08 1.81 0.00 0.00 -0.02 -1.26 -1.22 135.00 136.39 3ddi n PRO 99 Ca -0.05 0.64 0.00 0.00 -2.02 0.00 0.00 63.50 62.07 3ddi n PRO 99 Cb 0.49 -2.21 0.00 0.00 -0.02 0.00 0.00 33.50 31.76 3ddi n PRO 99 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 3ddi n GLY 100 N 0.93 3.06 3.93 -1.23 0.00 -1.26 -4.94 105.19 105.68 3ddi n GLY 100 Ca 0.07 0.00 -0.26 0.00 0.00 0.00 0.00 46.02 45.83 3ddi n GLY 100 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 3ddi s THR 101 N -2.84 3.67 0.06 2.61 -4.23 -0.36 -4.92 115.64 109.65 3ddi s THR 101 Ca 0.00 -0.12 -0.29 0.00 -1.18 0.00 0.00 61.69 60.10 3ddi s THR 101 Cb 0.00 -3.44 -0.18 0.00 1.34 0.00 0.00 72.50 70.23 3ddi s THR 101 CO 0.00 -0.42 1.59 0.40 -0.54 0.00 0.00 174.62 175.65 3ddi h ILE 102 N -0.06 0.56 -0.51 2.99 2.04 -0.84 -0.36 117.51 121.33 3ddi h ILE 102 Ca -0.45 -0.10 -0.08 0.00 1.00 0.00 0.00 64.86 65.22 3ddi h ILE 102 Cb 1.26 0.62 -0.02 0.00 -0.74 0.00 0.00 36.82 37.93 3ddi h ILE 102 CO 0.60 0.02 -0.02 0.03 0.00 0.00 0.00 178.15 178.78 3ddi h ARG 103 N -0.65 0.87 -0.69 2.37 3.08 -1.38 -0.82 114.38 117.15 3ddi h ARG 103 Ca -0.06 -0.25 -0.03 0.00 0.07 0.00 0.00 59.98 59.71 3ddi h ARG 103 Cb 0.49 -0.09 -0.03 0.00 0.08 0.00 0.00 29.97 30.42 3ddi h ARG 103 CO 0.10 0.88 0.32 0.78 -1.07 0.00 0.00 179.97 180.97 3ddi h GLY 104 N 0.99 1.06 1.53 0.04 0.00 -1.64 0.51 103.07 105.55 3ddi h GLY 104 Ca 0.15 -0.52 -0.24 0.00 0.00 0.00 0.00 47.33 46.72 3ddi h GLY 104 CO 0.03 0.49 -1.31 -0.55 0.00 0.00 0.00 176.54 175.20 3ddi h ASP 105 N 0.98 0.00 0.00 0.19 3.32 -0.95 -3.41 116.42 116.55 3ddi h ASP 105 Ca 0.24 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.29 3ddi h ASP 105 Cb 0.12 0.00 0.00 0.00 0.22 0.00 0.00 39.33 39.67 3ddi h ASP 105 CO -0.03 0.98 -0.76 0.18 -1.72 0.00 0.00 179.24 177.89 3ddi n LEU 106 N -3.20 0.00 -4.89 1.55 4.77 -0.32 -5.05 117.00 109.86 3ddi n LEU 106 Ca -0.08 0.00 -0.33 0.00 -0.03 0.00 0.00 56.01 55.57 3ddi n LEU 106 Cb 0.98 0.00 -0.05 0.00 -2.33 0.00 0.00 43.42 42.02 3ddi n LEU 106 CO 0.46 0.00 -0.17 0.00 -1.33 0.00 0.00 177.39 176.35 3ddi s ALA 107 N -1.65 3.90 -0.02 -1.18 0.00 0.16 -5.00 121.76 117.97 3ddi s ALA 107 Ca 0.00 -0.79 0.03 0.00 0.00 0.00 0.00 51.96 51.21 3ddi s ALA 107 Cb 0.00 -1.83 0.05 0.00 0.00 0.00 0.00 23.12 21.34 3ddi s ALA 107 CO 0.00 0.74 0.92 -1.71 0.00 0.00 0.00 175.76 175.71 3ddi n ASN 108 N 0.94 0.54 -3.98 0.00 5.15 -1.26 -4.72 115.26 111.93 3ddi n ASN 108 Ca -0.11 -1.97 -0.10 0.00 -0.60 0.00 0.00 54.58 51.80 3ddi n ASN 108 Cb 0.52 -0.18 -0.11 0.00 -0.53 0.00 0.00 39.78 39.48 3ddi n ASN 108 CO 0.00 0.00 0.00 -0.62 1.40 0.00 0.00 177.26 178.04 3ddi s ASP 109 N -1.11 0.32 0.37 1.20 -1.08 -1.25 -4.94 116.67 110.18 3ddi s ASP 109 Ca 0.06 -0.46 0.19 0.00 -0.52 0.00 0.00 52.55 51.82 3ddi s ASP 109 Cb 0.05 0.08 0.59 0.00 -1.46 0.00 0.00 42.92 42.18 3ddi s ASP 109 CO 0.01 -0.26 1.69 -0.29 0.52 0.00 0.00 175.17 176.84 3ddi h ILE 110 N 4.67 0.79 0.00 4.11 2.10 -1.98 -3.36 117.51 123.85 3ddi h ILE 110 Ca -0.32 -1.59 -0.29 0.00 1.08 0.00 0.00 64.86 63.74 3ddi h ILE 110 Cb 1.21 2.01 -0.04 0.00 -1.09 0.00 0.00 36.82 38.90 3ddi h ILE 110 CO 0.42 0.36 -1.74 0.61 -1.08 0.00 0.00 178.15 176.72 3ddi n GLY 111 N 0.46 -0.65 3.52 8.18 0.00 -1.26 -4.66 105.19 110.77 3ddi n GLY 111 Ca 0.00 -0.06 -0.43 0.00 0.00 0.00 0.00 46.02 45.53 3ddi n GLY 111 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 3ddi s GLU 112 N -2.47 3.75 -0.12 1.61 2.02 -1.26 -4.71 118.70 117.52 3ddi s GLU 112 Ca -0.32 -1.70 0.14 0.00 0.02 0.00 0.00 54.97 53.11 3ddi s GLU 112 Cb 0.09 -5.22 0.29 0.00 0.10 0.00 0.00 34.13 29.40 3ddi s GLU 112 CO 0.50 -2.02 1.15 0.27 0.02 0.00 0.00 175.26 175.17 3ddi n ASN 113 N 7.61 1.61 0.00 -0.19 0.23 -1.26 -3.91 115.26 119.35 3ddi n ASN 113 Ca 0.34 -3.01 0.00 0.00 -0.53 0.00 0.00 54.58 51.38 3ddi n ASN 113 Cb 0.48 -0.40 0.00 0.00 -2.08 0.00 0.00 39.78 37.78 3ddi n ASN 113 CO 0.00 0.00 0.00 0.18 -0.93 0.00 0.00 177.26 176.51 3ddi n LEU 114 N -0.87 0.00 -3.73 -4.53 4.77 -1.26 -4.82 117.00 106.55 3ddi n LEU 114 Ca 0.13 0.00 -0.13 0.00 -0.03 0.00 0.00 56.01 55.98 3ddi n LEU 114 Cb 0.72 0.00 -0.10 0.00 -2.33 0.00 0.00 43.42 41.71 3ddi n LEU 114 CO -0.01 0.00 0.07 -0.51 -1.33 0.00 0.00 177.39 175.60 3ddi s ILE 115 N 0.00 -0.00 -0.02 -0.08 2.07 -1.26 -0.97 121.20 120.94 3ddi s ILE 115 Ca 0.00 0.01 0.01 0.00 -1.41 0.00 0.00 60.65 59.27 3ddi s ILE 115 Cb 0.00 -0.56 -0.03 0.00 0.13 0.00 0.00 42.46 41.99 3ddi s ILE 115 CO 0.00 0.01 -0.02 -2.28 -1.91 0.00 0.00 174.94 170.73 3ddi s HIS 116 N 0.38 3.03 -0.01 3.50 5.65 0.16 -4.96 115.29 123.04 3ddi s HIS 116 Ca -0.01 0.07 0.00 0.00 0.25 0.00 0.00 55.06 55.36 3ddi s HIS 116 Cb -0.04 -1.68 0.01 0.00 -1.18 0.00 0.00 32.58 29.69 3ddi s HIS 116 CO -0.01 0.43 -0.00 0.00 -0.65 0.00 0.00 174.74 174.50 3ddi s ALA 117 N -1.00 0.13 0.38 1.58 0.00 -1.26 -1.54 121.76 120.06 3ddi s ALA 117 Ca 0.17 0.05 -0.27 0.00 0.00 0.00 0.00 51.96 51.91 3ddi s ALA 117 Cb -0.11 -0.12 -0.11 0.00 0.00 0.00 0.00 23.12 22.78 3ddi s ALA 117 CO 0.07 -0.02 1.29 0.43 0.00 0.00 0.00 175.76 177.53 3ddi n SER 118 N 3.45 2.72 -0.21 0.00 7.64 -0.85 -4.91 113.62 121.46 3ddi n SER 118 Ca -0.18 1.17 0.11 0.00 1.01 0.00 0.00 58.87 60.99 3ddi n SER 118 Cb 0.56 -1.50 0.12 0.00 -1.01 0.00 0.00 64.21 62.38 3ddi n SER 118 CO 0.00 0.00 0.00 -0.90 -3.01 0.00 0.00 175.04 171.13 3ddi n ASP 119 N 0.53 1.20 -3.79 6.43 5.68 -1.26 -4.79 116.55 120.55 3ddi n ASP 119 Ca 0.05 -0.97 -0.08 0.00 -0.50 0.00 0.00 54.79 53.30 3ddi n ASP 119 Cb 0.38 0.47 -0.02 0.00 -1.14 0.00 0.00 41.12 40.81 3ddi n ASP 119 CO 0.00 0.00 0.00 -0.94 -1.33 0.00 0.00 177.20 174.93 3ddi s SER 120 N -2.72 -0.29 0.20 -1.12 1.04 -1.26 -4.93 113.70 104.61 3ddi s SER 120 Ca 0.16 -0.53 -0.11 0.00 0.48 0.00 0.00 55.95 55.95 3ddi s SER 120 Cb 0.18 0.68 0.14 0.00 0.10 0.00 0.00 66.02 67.12 3ddi s SER 120 CO 0.66 -1.25 1.87 -0.33 0.98 0.00 0.00 173.24 175.17 3ddi h GLU 121 N 2.04 0.91 -0.34 4.02 5.08 -1.96 -0.40 114.58 123.93 3ddi h GLU 121 Ca -0.23 -0.05 -0.01 0.00 -1.00 0.00 0.00 59.36 58.07 3ddi h GLU 121 Cb 1.26 -0.20 -0.02 0.00 0.50 0.00 0.00 28.75 30.29 3ddi h GLU 121 CO 0.28 0.60 0.19 -0.44 -1.00 0.00 0.00 179.01 178.64 3ddi h ASP 122 N 0.94 0.43 0.84 1.42 3.45 -2.00 -2.83 116.42 118.66 3ddi h ASP 122 Ca 0.26 -0.09 -0.15 0.00 0.43 0.00 0.00 57.03 57.48 3ddi h ASP 122 Cb -0.10 -0.11 -0.02 0.00 -0.56 0.00 0.00 39.33 38.54 3ddi h ASP 122 CO -0.06 0.39 -0.74 0.77 -1.57 0.00 0.00 179.24 178.03 3ddi h SER 123 N 0.43 0.00 0.21 6.45 4.64 -1.92 -2.97 113.55 120.39 3ddi h SER 123 Ca 0.12 0.00 0.01 0.00 -0.47 0.00 0.00 61.79 61.45 3ddi h SER 123 Cb 0.06 0.00 -0.03 0.00 -0.31 0.00 0.00 62.40 62.12 3ddi h SER 123 CO -0.02 0.74 -0.27 0.00 -0.87 0.00 0.00 176.83 176.40 3ddi h ALA 124 N 1.26 -0.53 -0.74 5.18 0.00 -0.93 0.85 119.26 124.36 3ddi h ALA 124 Ca -0.01 -0.07 0.09 0.00 0.00 0.00 0.00 54.91 54.93 3ddi h ALA 124 Cb 1.35 0.42 -0.07 0.00 0.00 0.00 0.00 17.79 19.49 3ddi h ALA 124 CO 0.10 -0.84 0.39 0.28 0.00 0.00 0.00 179.25 179.18 3ddi h VAL 125 N -0.54 0.87 0.50 0.00 2.07 -1.53 0.55 116.25 118.17 3ddi h VAL 125 Ca 0.01 -0.23 -0.02 0.00 0.82 0.00 0.00 66.70 67.29 3ddi h VAL 125 Cb 0.53 0.16 -0.01 0.00 -1.52 0.00 0.00 31.29 30.44 3ddi h VAL 125 CO -0.10 0.12 -0.35 -0.78 0.02 0.00 0.00 177.57 176.47 3ddi h ASP 126 N 0.66 -0.92 -0.01 0.57 3.58 -1.32 -2.69 116.42 116.29 3ddi h ASP 126 Ca 0.36 0.06 -0.10 0.00 0.42 0.00 0.00 57.03 57.77 3ddi h ASP 126 Cb 0.35 0.29 -0.01 0.00 1.72 0.00 0.00 39.33 41.67 3ddi h ASP 126 CO -0.25 -0.53 -0.29 -0.33 -2.88 0.00 0.00 179.24 174.95 3ddi h GLU 127 N -0.83 0.45 -0.64 0.28 5.08 -0.42 -2.41 114.58 116.09 3ddi h GLU 127 Ca -0.05 -0.18 -0.02 0.00 -1.00 0.00 0.00 59.36 58.11 3ddi h GLU 127 Cb 0.70 -0.02 -0.03 0.00 0.50 0.00 0.00 28.75 29.89 3ddi h GLU 127 CO 0.02 0.70 0.33 0.82 -1.00 0.00 0.00 179.01 179.89 3ddi h ILE 128 N 0.40 1.20 0.00 3.13 2.04 -0.88 -2.18 117.51 121.22 3ddi h ILE 128 Ca 0.05 -0.52 -0.08 0.00 1.00 0.00 0.00 64.86 65.31 3ddi h ILE 128 Cb 0.71 0.35 -0.01 0.00 -0.74 0.00 0.00 36.82 37.13 3ddi h ILE 128 CO 0.05 0.23 -0.37 0.77 0.00 0.00 0.00 178.15 178.83 3ddi h SER 129 N 0.90 0.00 -0.15 1.72 4.64 -1.10 0.21 113.55 119.76 3ddi h SER 129 Ca 0.23 0.00 -0.08 0.00 -0.47 0.00 0.00 61.79 61.47 3ddi h SER 129 Cb 0.05 0.00 -0.00 0.00 -0.31 0.00 0.00 62.40 62.14 3ddi h SER 129 CO -0.03 0.37 -0.21 0.40 -0.87 0.00 0.00 176.83 176.49 3ddi h ILE 130 N 0.00 1.35 0.00 0.95 2.04 -1.05 -3.07 117.51 117.74 3ddi h ILE 130 Ca -0.00 -1.42 -0.24 0.00 1.00 0.00 0.00 64.86 64.20 3ddi h ILE 130 Cb 1.08 1.92 -0.04 0.00 -0.74 0.00 0.00 36.82 39.04 3ddi h ILE 130 CO 0.05 0.42 -1.59 0.79 0.00 0.00 0.00 178.15 177.82 3ddi n TRP 131 N -4.48 0.98 -3.32 1.37 7.02 -0.86 -4.43 117.44 113.72 3ddi n TRP 131 Ca -0.06 0.34 -0.26 0.00 -1.02 0.00 0.00 57.50 56.50 3ddi n TRP 131 Cb 0.41 -1.14 -0.08 0.00 -2.42 0.00 0.00 31.31 28.09 3ddi n TRP 131 CO 0.00 0.00 0.00 1.19 -2.02 0.00 0.00 177.69 176.86 3ddi n PHE 132 N -2.97 1.72 1.20 -5.99 3.72 0.72 -5.02 117.46 110.84 3ddi n PHE 132 Ca -0.14 -3.87 0.10 0.00 -0.05 0.00 0.00 57.45 53.49 3ddi n PHE 132 Cb 0.96 -0.45 0.57 0.00 -0.94 0.00 0.00 39.48 39.61 3ddi n PHE 132 CO 0.00 0.00 0.00 -0.35 -0.05 0.00 0.00 176.76 176.36