#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 1.46 -0.01 3.23 -0.21 -0.24 -4.88 119.66 119.02 3ddi s GLN 2 Ca 0.00 -1.71 0.08 0.00 0.02 0.00 0.00 55.36 53.75 3ddi s GLN 2 Cb 0.00 -1.10 -0.02 0.00 1.00 0.00 0.00 33.01 32.89 3ddi s GLN 2 CO 0.00 0.07 -0.26 1.03 -2.12 0.00 0.00 175.29 174.02 3ddi s ARG 3 N -3.71 2.02 0.13 2.91 0.52 -1.26 -1.99 118.95 117.57 3ddi s ARG 3 Ca 0.27 -0.95 0.06 0.00 -0.52 0.00 0.00 55.73 54.59 3ddi s ARG 3 Cb 0.02 -2.00 -0.04 0.00 0.52 0.00 0.00 34.95 33.46 3ddi s ARG 3 CO 0.10 0.54 -0.14 -0.08 0.02 0.00 0.00 175.30 175.74 3ddi s THR 4 N -0.64 1.34 -0.23 0.02 -1.32 -0.35 -4.79 115.64 109.67 3ddi s THR 4 Ca 0.10 -1.76 -0.09 0.00 -1.21 0.00 0.00 61.69 58.73 3ddi s THR 4 Cb -0.10 -1.57 -0.04 0.00 -1.51 0.00 0.00 72.50 69.28 3ddi s THR 4 CO -0.00 -0.44 0.12 -0.22 -2.21 0.00 0.00 174.62 171.86 3ddi s LEU 5 N -2.53 3.89 -0.07 9.08 1.98 -1.26 -1.17 118.68 128.60 3ddi s LEU 5 Ca 0.10 0.02 0.03 0.00 -2.89 0.00 0.00 54.13 51.39 3ddi s LEU 5 Cb -0.04 -2.03 -0.02 0.00 0.66 0.00 0.00 46.19 44.75 3ddi s LEU 5 CO 0.03 0.06 -0.15 -0.69 -1.89 0.00 0.00 176.35 173.70 3ddi s VAL 6 N 1.09 2.93 -0.12 1.68 1.01 0.76 -1.59 120.40 126.15 3ddi s VAL 6 Ca 0.06 -0.75 -0.01 0.00 0.00 0.00 0.00 61.98 61.28 3ddi s VAL 6 Cb -0.14 -2.16 -0.02 0.00 0.00 0.00 0.00 36.38 34.06 3ddi s VAL 6 CO 0.04 0.57 -0.09 -0.76 0.00 0.00 0.00 175.10 174.86 3ddi s LEU 7 N -0.41 2.97 -0.30 3.92 1.43 -0.40 -0.60 118.68 125.29 3ddi s LEU 7 Ca 0.05 -0.20 -0.19 0.00 -1.03 0.00 0.00 54.13 52.75 3ddi s LEU 7 Cb -0.12 -1.68 -0.01 0.00 0.03 0.00 0.00 46.19 44.41 3ddi s LEU 7 CO 0.02 0.21 0.59 -0.63 0.23 0.00 0.00 176.35 176.77 3ddi s ILE 8 N 0.11 4.98 0.64 -0.59 -1.09 0.27 -0.45 121.20 125.06 3ddi s ILE 8 Ca -0.04 0.82 -0.07 0.00 -2.23 0.00 0.00 60.65 59.14 3ddi s ILE 8 Cb -0.14 -3.95 0.03 0.00 -1.58 0.00 0.00 42.46 36.81 3ddi s ILE 8 CO 0.04 -0.09 0.96 -0.54 -1.23 0.00 0.00 174.94 174.08 3ddi s LYS 9 N 2.51 2.68 0.52 2.79 1.02 -0.09 -2.44 119.74 126.73 3ddi s LYS 9 Ca 0.24 -0.02 0.25 0.00 0.02 0.00 0.00 55.97 56.45 3ddi s LYS 9 Cb -0.15 -2.21 1.41 0.00 -0.52 0.00 0.00 37.83 36.36 3ddi s LYS 9 CO 0.11 -0.92 2.08 -1.35 -0.92 0.00 0.00 175.35 174.35 3ddi h PRO 10 N -0.38 0.00 0.00 -1.68 0.11 -1.84 -1.64 132.00 126.57 3ddi h PRO 10 Ca -0.45 0.00 -0.06 0.00 0.11 0.00 0.00 66.00 65.60 3ddi h PRO 10 Cb 1.27 0.00 -0.01 0.00 0.11 0.00 0.00 31.00 32.38 3ddi h PRO 10 CO 0.61 0.12 -0.27 0.38 -0.21 0.00 0.00 178.00 178.63 3ddi h ASP 11 N 0.00 0.00 -0.69 -2.05 2.03 -1.91 -1.12 116.42 112.69 3ddi h ASP 11 Ca -0.00 0.00 -0.06 0.00 -0.73 0.00 0.00 57.03 56.24 3ddi h ASP 11 Cb 0.28 0.00 -0.03 0.00 -0.83 0.00 0.00 39.33 38.76 3ddi h ASP 11 CO 0.02 0.27 0.19 0.00 -1.03 0.00 0.00 179.24 178.69 3ddi h ALA 12 N 1.73 0.90 -0.04 4.15 0.00 -1.55 -0.02 119.26 124.43 3ddi h ALA 12 Ca -0.00 -0.23 -0.01 0.00 0.00 0.00 0.00 54.91 54.67 3ddi h ALA 12 Cb 0.48 -0.26 -0.00 0.00 0.00 0.00 0.00 17.79 18.01 3ddi h ALA 12 CO 0.04 0.60 -0.00 0.74 0.00 0.00 0.00 179.25 180.62 3ddi h PHE 13 N 1.02 0.09 -0.89 0.00 -1.00 -1.49 0.31 116.94 114.97 3ddi h PHE 13 Ca 0.22 -0.02 0.16 0.00 2.81 0.00 0.00 57.97 61.15 3ddi h PHE 13 Cb 0.33 -0.02 -0.10 0.00 3.61 0.00 0.00 35.95 39.77 3ddi h PHE 13 CO 0.03 0.39 0.48 1.49 -1.61 0.00 0.00 178.31 179.08 3ddi h GLU 14 N -0.23 0.62 -0.58 1.51 4.57 -1.00 -2.29 114.58 117.19 3ddi h GLU 14 Ca 0.01 -0.04 0.00 0.00 -1.18 0.00 0.00 59.36 58.15 3ddi h GLU 14 Cb 0.35 -0.14 0.00 0.00 -0.16 0.00 0.00 28.75 28.80 3ddi h GLU 14 CO 0.00 0.41 0.00 0.54 -1.18 0.00 0.00 179.01 178.79 3ddi n ARG 15 N -4.86 2.57 -3.58 1.92 1.74 -0.04 -4.97 116.66 109.45 3ddi n ARG 15 Ca 0.19 -2.41 -0.21 0.00 -0.77 0.00 0.00 57.85 54.65 3ddi n ARG 15 Cb 0.49 -1.53 0.07 0.00 -1.02 0.00 0.00 32.46 30.46 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 1.51 -2.84 -0.23 0.55 7.64 -0.41 -4.91 113.62 114.94 3ddi n SER 16 Ca 0.22 -0.67 0.05 0.00 1.01 0.00 0.00 58.87 59.48 3ddi n SER 16 Cb 0.59 -4.72 0.10 0.00 -1.01 0.00 0.00 64.21 59.17 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 -4.38 2.49 0.16 -3.43 4.77 0.95 -4.75 117.00 112.80 3ddi n LEU 17 Ca -0.21 -2.50 -0.14 0.00 -0.03 0.00 0.00 56.01 53.13 3ddi n LEU 17 Cb 0.64 -0.25 -0.08 0.00 -2.33 0.00 0.00 43.42 41.40 3ddi n LEU 17 CO 0.65 0.63 0.78 0.58 -1.33 0.00 0.00 177.39 178.70 3ddi h VAL 18 N 0.51 0.77 -0.25 4.08 2.07 -1.91 -1.49 116.25 120.03 3ddi h VAL 18 Ca 0.00 -0.03 -0.10 0.00 0.82 0.00 0.00 66.70 67.39 3ddi h VAL 18 Cb 0.82 0.79 -0.01 0.00 -1.52 0.00 0.00 31.29 31.37 3ddi h VAL 18 CO 0.03 0.01 -0.27 0.00 0.02 0.00 0.00 177.57 177.36 3ddi h ALA 19 N 0.43 1.07 -0.64 1.67 0.00 -1.94 -1.64 119.26 118.20 3ddi h ALA 19 Ca -0.03 -0.36 0.03 0.00 0.00 0.00 0.00 54.91 54.55 3ddi h ALA 19 Cb 0.26 -0.12 -0.04 0.00 0.00 0.00 0.00 17.79 17.88 3ddi h ALA 19 CO 0.05 0.57 0.39 1.49 0.00 0.00 0.00 179.25 181.76 3ddi h GLU 20 N 0.43 0.75 0.08 0.00 4.57 -1.81 0.42 114.58 119.03 3ddi h GLU 20 Ca 0.06 -0.05 -0.00 0.00 -1.18 0.00 0.00 59.36 58.19 3ddi h GLU 20 Cb 0.70 -0.17 0.00 0.00 -0.16 0.00 0.00 28.75 29.12 3ddi h GLU 20 CO 0.05 0.50 -0.04 0.82 -1.18 0.00 0.00 179.01 179.16 3ddi h ILE 21 N 0.77 1.19 -0.61 2.32 2.04 -1.09 -2.74 117.51 119.38 3ddi h ILE 21 Ca 0.26 -1.26 0.03 0.00 1.00 0.00 0.00 64.86 64.89 3ddi h ILE 21 Cb 0.03 1.97 -0.03 0.00 -0.74 0.00 0.00 36.82 38.05 3ddi h ILE 21 CO -0.11 0.30 0.41 0.24 0.00 0.00 0.00 178.15 178.98 3ddi h MET 22 N -0.71 0.72 -0.36 2.37 2.86 -1.25 -2.16 114.93 116.40 3ddi h MET 22 Ca -0.01 -0.04 -0.06 0.00 -2.06 0.00 0.00 59.70 57.53 3ddi h MET 22 Cb 0.57 -0.16 -0.02 0.00 0.06 0.00 0.00 31.60 32.05 3ddi h MET 22 CO 0.02 0.48 -0.01 0.78 1.06 0.00 0.00 176.91 179.24 3ddi h GLY 23 N 0.74 0.61 1.53 8.32 0.00 -0.13 0.12 103.07 114.27 3ddi h GLY 23 Ca 0.24 -0.37 -0.11 0.00 0.00 0.00 0.00 47.33 47.09 3ddi h GLY 23 CO -0.06 0.35 -0.31 3.21 0.00 0.00 0.00 176.54 179.72 3ddi h ARG 24 N 0.54 0.53 -0.08 4.80 3.08 -1.08 -0.65 114.38 121.54 3ddi h ARG 24 Ca 0.11 -0.23 -0.23 0.00 0.07 0.00 0.00 59.98 59.70 3ddi h ARG 24 Cb 0.36 -0.02 0.01 0.00 0.08 0.00 0.00 29.97 30.41 3ddi h ARG 24 CO 0.01 0.79 -0.88 0.82 -1.07 0.00 0.00 179.97 179.64 3ddi h ILE 25 N 0.46 1.30 -0.64 2.04 2.04 -1.37 -3.10 117.51 118.24 3ddi h ILE 25 Ca 0.06 -2.13 -0.05 0.00 1.00 0.00 0.00 64.86 63.74 3ddi h ILE 25 Cb 0.77 2.17 -0.03 0.00 -0.74 0.00 0.00 36.82 38.99 3ddi h ILE 25 CO 0.06 0.66 0.21 -0.08 0.00 0.00 0.00 178.15 179.00 3ddi h GLU 26 N 0.43 0.96 0.00 2.37 4.81 -0.76 -2.49 114.58 119.90 3ddi h GLU 26 Ca -0.08 -0.18 0.00 0.00 -0.13 0.00 0.00 59.36 58.97 3ddi h GLU 26 Cb 1.51 -0.15 0.00 0.00 0.63 0.00 0.00 28.75 30.74 3ddi h GLU 26 CO 0.17 0.82 0.00 0.87 -0.73 0.00 0.00 179.01 180.14 3ddi h LYS 27 N 0.93 0.00 -0.01 1.92 1.57 -1.13 -1.33 116.57 118.52 3ddi h LYS 27 Ca 0.21 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.99 3ddi h LYS 27 Cb 0.25 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.56 3ddi h LYS 27 CO -0.01 0.00 -0.05 1.17 -0.57 0.00 0.00 179.45 179.99 3ddi n LYS 28 N -2.82 1.20 -1.21 3.15 3.00 -0.95 -4.93 118.16 115.60 3ddi n LYS 28 Ca 0.02 -0.51 0.00 0.00 -0.00 0.00 0.00 58.31 57.82 3ddi n LYS 28 Cb 0.35 -1.49 0.00 0.00 0.00 0.00 0.00 35.03 33.89 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 -0.45 -2.19 -4.82 3.14 5.15 -0.50 -5.05 115.26 110.54 3ddi n ASN 29 Ca 0.19 0.00 -0.36 0.00 -0.60 0.00 0.00 54.58 53.80 3ddi n ASN 29 Cb 0.28 -0.46 -0.06 0.00 -0.53 0.00 0.00 39.78 39.00 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 3.67 -0.11 1.20 0.40 -1.17 -4.95 117.98 115.01 3ddi s PHE 30 Ca 0.00 1.26 -0.02 0.00 -0.60 0.00 0.00 56.93 57.56 3ddi s PHE 30 Cb 0.00 -2.51 -0.03 0.00 0.51 0.00 0.00 43.02 40.99 3ddi s PHE 30 CO 0.00 0.42 -0.02 0.15 0.70 0.00 0.00 175.22 176.47 3ddi s LYS 31 N -1.79 3.24 0.09 0.44 -0.14 -0.72 -4.56 119.74 116.31 3ddi s LYS 31 Ca 0.38 -0.47 -0.31 0.00 -1.36 0.00 0.00 55.97 54.22 3ddi s LYS 31 Cb -0.17 -2.82 -0.07 0.00 -1.68 0.00 0.00 37.83 33.08 3ddi s LYS 31 CO 0.20 0.51 1.38 0.42 -0.76 0.00 0.00 175.35 177.10 3ddi s ILE 32 N -0.36 3.41 -0.11 2.17 1.01 -1.26 -0.76 121.20 125.30 3ddi s ILE 32 Ca 0.06 0.99 0.06 0.00 0.00 0.00 0.00 60.65 61.77 3ddi s ILE 32 Cb -0.12 -3.63 -0.11 0.00 0.01 0.00 0.00 42.46 38.60 3ddi s ILE 32 CO 0.02 0.07 -0.01 0.52 0.00 0.00 0.00 174.94 175.54 3ddi n VAL 33 N 4.05 0.69 -3.92 2.92 0.31 0.15 -4.92 118.33 117.62 3ddi n VAL 33 Ca 0.12 -0.38 -0.10 0.00 -0.01 0.00 0.00 64.34 63.97 3ddi n VAL 33 Cb 0.43 -0.80 -0.10 0.00 -0.91 0.00 0.00 33.84 32.46 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 -4.52 0.14 -0.24 4.52 0.01 -1.19 -4.98 113.70 107.44 3ddi s SER 34 Ca -0.08 -0.43 -0.23 0.00 1.31 0.00 0.00 55.95 56.51 3ddi s SER 34 Cb 0.03 0.20 0.06 0.00 0.21 0.00 0.00 66.02 66.53 3ddi s SER 34 CO 0.37 -0.44 0.66 -0.32 0.41 0.00 0.00 173.24 173.93 3ddi s MET 35 N -2.08 0.78 -0.07 12.44 0.00 -1.26 -1.27 119.30 127.85 3ddi s MET 35 Ca -0.09 0.89 -0.03 0.00 0.00 0.00 0.00 55.69 56.46 3ddi s MET 35 Cb -0.04 0.38 0.04 0.00 0.00 0.00 0.00 34.83 35.21 3ddi s MET 35 CO -0.02 -0.10 0.14 0.15 0.00 0.00 0.00 175.02 175.19 3ddi s LYS 36 N 0.29 0.07 -0.16 4.11 -0.14 -0.28 -5.01 119.74 118.62 3ddi s LYS 36 Ca -0.00 0.41 -0.13 0.00 -1.36 0.00 0.00 55.97 54.89 3ddi s LYS 36 Cb -0.04 -0.21 -0.05 0.00 -1.68 0.00 0.00 37.83 35.85 3ddi s LYS 36 CO 0.01 -0.20 0.26 0.12 -0.76 0.00 0.00 175.35 174.78 3ddi s PHE 37 N 1.45 3.47 -0.22 3.18 5.36 -1.26 -1.22 117.98 128.75 3ddi s PHE 37 Ca -0.06 0.57 0.00 0.00 -0.96 0.00 0.00 56.93 56.48 3ddi s PHE 37 Cb -0.12 -2.28 0.03 0.00 -0.34 0.00 0.00 43.02 40.31 3ddi s PHE 37 CO -0.06 0.30 -0.13 -1.58 -1.46 0.00 0.00 175.22 172.29 3ddi s TRP 38 N 0.28 2.98 0.40 10.12 0.52 0.55 -4.98 118.94 128.81 3ddi s TRP 38 Ca 0.15 -1.73 0.08 0.00 0.02 0.00 0.00 56.10 54.62 3ddi s TRP 38 Cb -0.13 -1.97 0.84 0.00 -1.15 0.00 0.00 33.47 31.06 3ddi s TRP 38 CO 0.03 -0.79 2.02 0.66 0.02 0.00 0.00 176.95 178.90 3ddi h SER 39 N 7.93 0.40 -1.80 2.95 4.64 -1.93 -1.05 113.55 124.70 3ddi h SER 39 Ca -0.36 -0.03 0.01 0.00 -0.47 0.00 0.00 61.79 60.93 3ddi h SER 39 Cb 1.11 -0.10 -0.24 0.00 -0.31 0.00 0.00 62.40 62.86 3ddi h SER 39 CO 0.58 0.36 -0.28 -0.75 -0.87 0.00 0.00 176.83 175.87 3ddi s LYS 40 N -5.27 0.48 0.37 4.77 2.20 -1.26 -3.24 119.74 117.78 3ddi s LYS 40 Ca -0.08 1.08 -0.27 0.00 -0.36 0.00 0.00 55.97 56.34 3ddi s LYS 40 Cb 0.17 0.44 -0.10 0.00 -1.51 0.00 0.00 37.83 36.83 3ddi s LYS 40 CO 0.73 -0.41 1.30 0.00 -0.36 0.00 0.00 175.35 176.61 3ddi s ALA 41 N 2.77 3.37 0.27 3.13 0.00 -1.26 -4.95 121.76 125.09 3ddi s ALA 41 Ca 0.06 1.23 -0.30 0.00 0.00 0.00 0.00 51.96 52.94 3ddi s ALA 41 Cb -0.13 -3.47 -0.11 0.00 0.00 0.00 0.00 23.12 19.40 3ddi s ALA 41 CO -0.18 -0.71 1.62 -2.14 0.00 0.00 0.00 175.76 174.35 3ddi s PRO 42 N -2.01 4.13 0.49 0.00 0.02 -1.26 -4.81 135.00 131.56 3ddi s PRO 42 Ca 0.53 2.56 0.21 0.00 0.02 0.00 0.00 61.00 64.32 3ddi s PRO 42 Cb -0.38 -3.04 1.26 0.00 0.02 0.00 0.00 34.50 32.35 3ddi s PRO 42 CO 0.50 -0.65 1.97 -0.09 -0.33 0.00 0.00 177.00 178.40 3ddi h ARG 43 N 5.39 0.16 -0.51 5.54 2.43 -1.97 -2.21 114.38 123.22 3ddi h ARG 43 Ca -0.46 -0.01 -0.12 0.00 -0.81 0.00 0.00 59.98 58.58 3ddi h ARG 43 Cb 1.21 -0.04 -0.02 0.00 -0.42 0.00 0.00 29.97 30.71 3ddi h ARG 43 CO 0.84 0.11 -0.16 -2.95 -1.51 0.00 0.00 179.97 176.29 3ddi h ASN 44 N 0.17 1.02 -0.59 -3.80 -1.07 -1.99 -0.78 115.58 108.53 3ddi h ASN 44 Ca 0.29 -0.36 -0.03 0.00 0.07 0.00 0.00 56.30 56.26 3ddi h ASN 44 Cb 0.91 -0.28 -0.03 0.00 -2.07 0.00 0.00 38.32 36.85 3ddi h ASN 44 CO -0.05 1.16 0.25 -0.07 0.07 0.00 0.00 177.43 178.79 3ddi h LEU 45 N 0.88 0.83 0.07 6.14 4.07 -1.79 -0.91 115.31 124.60 3ddi h LEU 45 Ca 0.12 -0.11 -0.00 0.00 0.08 0.00 0.00 57.88 57.97 3ddi h LEU 45 Cb 0.74 -0.21 0.00 0.00 1.08 0.00 0.00 40.66 42.26 3ddi h LEU 45 CO 0.06 0.75 -0.03 0.40 -1.08 0.00 0.00 178.44 178.53 3ddi h ILE 46 N 0.90 1.09 -0.57 1.22 1.08 -1.26 0.23 117.51 120.21 3ddi h ILE 46 Ca 0.21 -0.54 -0.00 0.00 -0.39 0.00 0.00 64.86 64.14 3ddi h ILE 46 Cb 0.18 1.45 -0.03 0.00 -3.07 0.00 0.00 36.82 35.34 3ddi h ILE 46 CO -0.02 0.13 0.35 -0.33 -0.69 0.00 0.00 178.15 177.60 3ddi h GLU 47 N -0.33 0.77 0.04 2.37 5.08 -1.00 -0.09 114.58 121.41 3ddi h GLU 47 Ca -0.01 -0.06 -0.00 0.00 -1.00 0.00 0.00 59.36 58.29 3ddi h GLU 47 Cb 0.29 -0.17 0.00 0.00 0.50 0.00 0.00 28.75 29.37 3ddi h GLU 47 CO 0.01 0.53 -0.02 1.96 -1.00 0.00 0.00 179.01 180.50 3ddi h GLN 48 N 0.78 -0.05 -0.57 2.33 4.20 -1.01 -1.07 115.11 119.73 3ddi h GLN 48 Ca 0.21 0.00 0.12 0.00 0.06 0.00 0.00 58.65 59.04 3ddi h GLN 48 Cb -0.04 0.01 -0.09 0.00 0.30 0.00 0.00 27.48 27.65 3ddi h GLN 48 CO -0.04 0.17 0.01 1.25 -0.67 0.00 0.00 178.83 179.55 3ddi h HIS 49 N -0.27 -0.02 -0.94 2.96 2.76 0.19 -2.13 115.15 117.70 3ddi h HIS 49 Ca -0.01 0.04 -0.48 0.00 -2.20 0.00 0.00 60.37 57.73 3ddi h HIS 49 Cb 0.24 0.10 -0.29 0.00 1.55 0.00 0.00 27.41 29.01 3ddi h HIS 49 CO -0.00 -0.13 0.58 0.66 -1.30 0.00 0.00 177.93 177.74 3ddi n TYR 50 N -5.25 2.89 0.10 5.26 0.53 -0.12 -4.67 117.16 115.91 3ddi n TYR 50 Ca 0.08 -1.81 0.16 0.00 -1.02 0.00 0.00 57.90 55.31 3ddi n TYR 50 Cb 0.32 -0.90 0.69 0.00 -1.03 0.00 0.00 39.34 38.42 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 1.07 0.00 0.00 -0.72 2.10 -0.48 0.80 116.57 119.33 3ddi h LYS 51 Ca 0.59 0.00 -0.01 0.00 -2.00 0.00 0.00 60.65 59.23 3ddi h LYS 51 Cb 2.76 0.00 -0.00 0.00 -0.90 0.00 0.00 32.23 34.09 3ddi h LYS 51 CO 1.04 0.00 -0.05 1.05 -2.00 0.00 0.00 179.45 179.49 3ddi h GLU 52 N 0.00 0.00 -0.45 0.07 4.11 -1.85 -2.66 114.58 113.80 3ddi h GLU 52 Ca 0.16 0.00 0.00 0.00 0.07 0.00 0.00 59.36 59.59 3ddi h GLU 52 Cb 0.64 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.89 3ddi h GLU 52 CO -0.00 0.05 0.00 0.72 0.07 0.00 0.00 179.01 179.85 3ddi n HIS 53 N -3.38 0.59 0.32 2.06 8.25 0.27 -4.66 115.22 118.67 3ddi n HIS 53 Ca -0.02 -0.29 0.19 0.00 -0.26 0.00 0.00 57.72 57.34 3ddi n HIS 53 Cb 0.19 0.00 1.06 0.00 1.12 0.00 0.00 29.99 32.36 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 4.43 0.00 -0.02 0.41 4.64 -1.52 0.13 113.55 121.63 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 0.98 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.07 3ddi h SER 54 CO 0.00 0.01 -0.06 -0.62 -0.87 0.00 0.00 176.83 175.28 3ddi n GLU 55 N -3.44 1.59 -2.28 4.77 -0.58 -1.26 -4.91 120.64 114.53 3ddi n GLU 55 Ca -0.03 -1.48 -0.33 0.00 -0.42 0.00 0.00 57.16 54.90 3ddi n GLU 55 Cb 0.09 -1.35 -0.01 0.00 -0.57 0.00 0.00 31.44 29.60 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 -1.64 3.54 0.43 3.49 -1.52 0.03 -4.95 119.66 119.04 3ddi s GLN 56 Ca 0.21 1.30 0.12 0.00 -1.95 0.00 0.00 55.36 55.04 3ddi s GLN 56 Cb 0.15 -2.06 0.99 0.00 -0.22 0.00 0.00 33.01 31.88 3ddi s GLN 56 CO 0.27 -0.64 2.02 0.66 -0.25 0.00 0.00 175.29 177.34 3ddi h SER 57 N 0.99 0.37 -0.02 5.90 4.64 -1.94 -2.55 113.55 120.94 3ddi h SER 57 Ca -0.48 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 60.84 3ddi h SER 57 Cb 1.22 -0.08 0.00 0.00 -0.31 0.00 0.00 62.40 63.23 3ddi h SER 57 CO 0.58 0.25 0.00 0.00 -0.87 0.00 0.00 176.83 176.79 3ddi n TYR 58 N -4.47 0.01 -0.13 4.77 0.18 -1.26 -4.51 117.16 111.75 3ddi n TYR 58 Ca 0.07 -0.01 -0.05 0.00 1.88 0.00 0.00 57.90 59.79 3ddi n TYR 58 Cb 0.25 0.00 0.03 0.00 -0.38 0.00 0.00 39.34 39.24 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 1.61 0.35 -0.42 -3.48 3.04 -1.68 -0.33 116.94 116.03 3ddi h PHE 59 Ca 0.00 0.02 -0.15 0.00 3.98 0.00 0.00 57.97 61.82 3ddi h PHE 59 Cb 0.34 -0.09 -0.01 0.00 2.56 0.00 0.00 35.95 38.75 3ddi h PHE 59 CO 0.01 0.16 -0.31 -0.91 -2.02 0.00 0.00 178.31 175.24 3ddi h ASN 60 N 0.39 0.99 -0.71 0.41 -0.26 -1.84 -0.21 115.58 114.35 3ddi h ASN 60 Ca 0.19 -0.42 -0.07 0.00 -0.56 0.00 0.00 56.30 55.45 3ddi h ASN 60 Cb 0.13 -0.27 -0.03 0.00 -1.06 0.00 0.00 38.32 37.08 3ddi h ASN 60 CO -0.16 1.21 0.17 0.44 -1.06 0.00 0.00 177.43 178.04 3ddi h ASP 61 N 0.79 1.07 -0.21 5.81 3.32 -1.79 0.13 116.42 125.54 3ddi h ASP 61 Ca 0.08 -0.23 -0.02 0.00 0.02 0.00 0.00 57.03 56.88 3ddi h ASP 61 Cb 0.89 -0.28 -0.01 0.00 0.22 0.00 0.00 39.33 40.15 3ddi h ASP 61 CO 0.08 1.03 0.07 0.25 -1.72 0.00 0.00 179.24 178.95 3ddi h LEU 62 N 1.07 0.30 -0.43 1.55 5.85 -0.85 -0.00 115.31 122.79 3ddi h LEU 62 Ca 0.22 -0.19 -0.04 0.00 0.84 0.00 0.00 57.88 58.71 3ddi h LEU 62 Cb 0.37 -0.08 -0.02 0.00 0.37 0.00 0.00 40.66 41.31 3ddi h LEU 62 CO 0.00 0.41 0.10 0.00 -0.34 0.00 0.00 178.44 178.61 3ddi h ASP 64 N 0.57 0.23 -0.70 0.00 3.32 -0.65 -2.43 116.42 116.76 3ddi h ASP 64 Ca 0.14 0.05 -0.02 0.00 0.02 0.00 0.00 57.03 57.21 3ddi h ASP 64 Cb 0.32 0.01 -0.03 0.00 0.22 0.00 0.00 39.33 39.85 3ddi h ASP 64 CO 0.00 0.17 0.34 0.15 -1.72 0.00 0.00 179.24 178.18 3ddi h PHE 65 N 0.39 1.00 0.00 4.55 3.04 -0.78 -2.57 116.94 122.57 3ddi h PHE 65 Ca 0.22 -0.05 0.00 0.00 3.98 0.00 0.00 57.97 62.13 3ddi h PHE 65 Cb 0.20 -0.31 0.00 0.00 2.56 0.00 0.00 35.95 38.40 3ddi h PHE 65 CO -0.14 0.74 0.00 0.52 -2.02 0.00 0.00 178.31 177.41 3ddi h MET 66 N 0.97 0.00 -0.44 1.11 2.86 -0.80 -1.07 114.93 117.56 3ddi h MET 66 Ca 0.24 0.00 0.00 0.00 -2.06 0.00 0.00 59.70 57.88 3ddi h MET 66 Cb 0.11 0.00 0.00 0.00 0.06 0.00 0.00 31.60 31.77 3ddi h MET 66 CO -0.03 0.00 0.00 1.33 1.06 0.00 0.00 176.91 179.27 3ddi n VAL 67 N -2.83 0.77 1.45 -2.22 0.24 -0.97 -4.54 118.33 110.24 3ddi n VAL 67 Ca 0.01 -0.89 0.15 0.00 -2.04 0.00 0.00 64.34 61.57 3ddi n VAL 67 Cb 0.27 0.70 0.77 0.00 -1.47 0.00 0.00 33.84 34.10 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 1.11 0.00 -2.72 -1.34 3.41 -0.41 -4.84 113.62 108.83 3ddi n SER 68 Ca 0.17 -0.18 -0.00 0.00 -0.26 0.00 0.00 58.87 58.60 3ddi n SER 68 Cb 0.51 -0.27 0.01 0.00 -0.26 0.00 0.00 64.21 64.20 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 1.27 0.62 3.76 5.00 0.00 -1.26 -5.08 105.19 109.50 3ddi n GLY 69 Ca 0.15 -1.03 -0.31 0.00 0.00 0.00 0.00 46.02 44.82 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 2.05 0.08 1.61 0.02 -1.20 -4.58 135.00 130.96 3ddi s PRO 70 Ca 0.18 1.12 0.02 0.00 0.02 0.00 0.00 61.00 62.33 3ddi s PRO 70 Cb -0.01 -1.88 -0.04 0.00 0.02 0.00 0.00 34.50 32.59 3ddi s PRO 70 CO 0.02 -1.77 -0.07 0.96 -0.33 0.00 0.00 177.00 175.81 3ddi s ILE 71 N -2.90 0.64 -0.12 2.83 -4.36 -0.40 -3.32 121.20 113.57 3ddi s ILE 71 Ca 0.62 -1.74 0.02 0.00 -0.26 0.00 0.00 60.65 59.29 3ddi s ILE 71 Cb -0.17 -1.43 -0.00 0.00 1.25 0.00 0.00 42.46 42.10 3ddi s ILE 71 CO 0.56 -0.77 -0.20 -0.63 0.24 0.00 0.00 174.94 174.15 3ddi s ILE 72 N -3.13 2.39 -0.17 8.37 1.01 -1.02 -0.33 121.20 128.32 3ddi s ILE 72 Ca 0.07 -0.89 -0.08 0.00 0.00 0.00 0.00 60.65 59.75 3ddi s ILE 72 Cb 0.02 -1.96 -0.04 0.00 0.01 0.00 0.00 42.46 40.49 3ddi s ILE 72 CO -0.04 0.54 0.09 -0.94 0.00 0.00 0.00 174.94 174.60 3ddi s SER 73 N 0.47 5.92 -0.01 3.58 1.04 -0.36 -0.57 113.70 123.77 3ddi s SER 73 Ca -0.14 0.20 0.01 0.00 0.48 0.00 0.00 55.95 56.51 3ddi s SER 73 Cb -0.17 -1.98 0.01 0.00 0.10 0.00 0.00 66.02 63.98 3ddi s SER 73 CO 0.06 0.23 -0.03 -0.63 0.98 0.00 0.00 173.24 173.85 3ddi s ILE 74 N 0.01 0.28 -0.25 -1.02 1.01 0.23 -1.13 121.20 120.34 3ddi s ILE 74 Ca 0.08 -0.09 -0.10 0.00 0.00 0.00 0.00 60.65 60.54 3ddi s ILE 74 Cb -0.12 -0.28 -0.05 0.00 0.01 0.00 0.00 42.46 42.02 3ddi s ILE 74 CO 0.00 0.11 0.14 -0.69 0.00 0.00 0.00 174.94 174.51 3ddi s VAL 75 N 0.30 5.09 0.08 2.92 1.01 -0.39 -0.17 120.40 129.24 3ddi s VAL 75 Ca -0.03 0.09 0.03 0.00 0.00 0.00 0.00 61.98 62.07 3ddi s VAL 75 Cb -0.06 -3.38 -0.04 0.00 0.00 0.00 0.00 36.38 32.90 3ddi s VAL 75 CO -0.01 0.33 0.07 -0.31 0.00 0.00 0.00 175.10 175.19 3ddi s TYR 76 N 1.26 3.17 -0.03 5.22 1.51 -0.31 -0.67 117.35 127.50 3ddi s TYR 76 Ca 0.07 0.07 0.02 0.00 -1.01 0.00 0.00 57.07 56.22 3ddi s TYR 76 Cb -0.14 -1.61 0.00 0.00 -0.11 0.00 0.00 41.96 40.10 3ddi s TYR 76 CO 0.06 0.52 -0.09 -2.00 -1.11 0.00 0.00 175.55 172.93 3ddi s GLU 77 N -2.36 0.94 0.00 -0.62 2.12 0.06 -1.21 118.70 117.63 3ddi s GLU 77 Ca 0.29 -0.30 0.00 0.00 0.36 0.00 0.00 54.97 55.32 3ddi s GLU 77 Cb -0.12 -0.88 0.00 0.00 0.26 0.00 0.00 34.13 33.39 3ddi s GLU 77 CO 0.21 0.11 0.00 0.41 -0.54 0.00 0.00 175.26 175.46 3ddi n GLY 78 N 3.28 0.23 3.68 -1.50 0.00 -0.84 -1.76 105.19 108.28 3ddi n GLY 78 Ca -0.18 -0.98 -0.42 0.00 0.00 0.00 0.00 46.02 44.44 3ddi n GLY 78 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 3ddi s THR 79 N -2.00 3.17 -1.46 2.61 2.01 -1.26 -1.08 115.64 117.62 3ddi s THR 79 Ca 0.00 0.52 -0.08 0.00 0.31 0.00 0.00 61.69 62.44 3ddi s THR 79 Cb 0.00 -3.34 0.04 0.00 0.01 0.00 0.00 72.50 69.21 3ddi s THR 79 CO 0.00 -0.01 0.73 0.47 -0.69 0.00 0.00 174.62 175.12 3ddi n ASP 80 N 6.00 -5.36 -0.26 3.53 9.92 -1.26 -4.87 116.55 124.25 3ddi n ASP 80 Ca 0.16 -0.44 0.11 0.00 -0.53 0.00 0.00 54.79 54.10 3ddi n ASP 80 Cb 0.41 -4.32 0.37 0.00 -0.64 0.00 0.00 41.12 36.94 3ddi n ASP 80 CO 0.00 0.00 0.00 0.00 0.13 0.00 0.00 177.20 177.33 3ddi h ALA 81 N 0.99 1.81 0.77 2.24 0.00 -1.72 -2.24 119.26 121.11 3ddi h ALA 81 Ca -0.52 0.01 -0.04 0.00 0.00 0.00 0.00 54.91 54.36 3ddi h ALA 81 Cb 1.35 -0.14 0.01 0.00 0.00 0.00 0.00 17.79 19.01 3ddi h ALA 81 CO 0.58 -0.03 -0.37 0.82 0.00 0.00 0.00 179.25 180.25 3ddi h ILE 82 N 0.71 0.00 -0.80 0.00 2.04 -1.88 -1.11 117.51 116.47 3ddi h ILE 82 Ca 0.43 -0.12 -0.04 0.00 1.00 0.00 0.00 64.86 66.12 3ddi h ILE 82 Cb 0.65 0.00 -0.04 0.00 -0.74 0.00 0.00 36.82 36.69 3ddi h ILE 82 CO -0.19 0.00 0.34 0.77 0.00 0.00 0.00 178.15 179.07 3ddi h SER 83 N -1.16 1.09 -0.66 1.72 4.64 -1.87 -1.75 113.55 115.57 3ddi h SER 83 Ca -0.11 -0.16 -0.06 0.00 -0.47 0.00 0.00 61.79 60.99 3ddi h SER 83 Cb 0.79 -0.28 -0.03 0.00 -0.31 0.00 0.00 62.40 62.57 3ddi h SER 83 CO 0.17 0.96 0.17 0.11 -0.87 0.00 0.00 176.83 177.37 3ddi h LYS 84 N 1.16 1.05 -0.02 4.77 1.57 -1.41 -1.56 116.57 122.13 3ddi h LYS 84 Ca 0.27 -0.25 -0.19 0.00 -1.87 0.00 0.00 60.65 58.61 3ddi h LYS 84 Cb 0.19 -0.14 -0.01 0.00 0.08 0.00 0.00 32.23 32.35 3ddi h LYS 84 CO -0.03 0.94 -0.82 0.82 -0.57 0.00 0.00 179.45 179.79 3ddi h ILE 85 N 0.98 1.45 -0.97 1.86 2.04 -1.06 -2.31 117.51 119.49 3ddi h ILE 85 Ca 0.21 -2.42 0.06 0.00 1.00 0.00 0.00 64.86 63.71 3ddi h ILE 85 Cb 0.35 2.33 -0.06 0.00 -0.74 0.00 0.00 36.82 38.70 3ddi h ILE 85 CO 0.00 0.71 0.63 0.03 0.00 0.00 0.00 178.15 179.52 3ddi h ARG 86 N 0.16 1.12 -0.39 2.37 2.47 -1.08 -0.53 114.38 118.50 3ddi h ARG 86 Ca -0.04 -0.07 -0.12 0.00 -1.26 0.00 0.00 59.98 58.49 3ddi h ARG 86 Cb 1.42 -0.25 -0.01 0.00 -1.65 0.00 0.00 29.97 29.48 3ddi h ARG 86 CO 0.13 0.74 -0.26 0.00 0.56 0.00 0.00 179.97 181.14 3ddi h ARG 87 N 1.15 0.80 -0.61 0.04 3.08 -0.94 -2.71 114.38 115.20 3ddi h ARG 87 Ca 0.41 -0.34 -0.04 0.00 0.07 0.00 0.00 59.98 60.08 3ddi h ARG 87 Cb 0.13 -0.03 -0.03 0.00 0.08 0.00 0.00 29.97 30.13 3ddi h ARG 87 CO -0.15 0.96 0.21 -0.07 -1.07 0.00 0.00 179.97 179.85 3ddi h LEU 88 N 0.69 0.87 -0.05 3.04 3.38 -0.91 -3.24 115.31 119.08 3ddi h LEU 88 Ca 0.09 -0.19 0.04 0.00 0.09 0.00 0.00 57.88 57.90 3ddi h LEU 88 Cb 0.78 -0.23 -0.05 0.00 0.09 0.00 0.00 40.66 41.26 3ddi h LEU 88 CO 0.06 0.83 -0.22 -0.61 0.09 0.00 0.00 178.44 178.59 3ddi h GLN 89 N 0.86 -0.31 0.00 1.13 4.15 -0.85 0.14 115.11 120.22 3ddi h GLN 89 Ca 0.20 0.02 0.00 0.00 0.77 0.00 0.00 58.65 59.64 3ddi h GLN 89 Cb 0.26 0.07 0.00 0.00 0.21 0.00 0.00 27.48 28.02 3ddi h GLN 89 CO -0.01 -0.21 0.00 0.41 -1.93 0.00 0.00 178.83 177.09 3ddi n GLY 90 N -1.35 0.46 3.76 2.39 0.00 -1.04 -1.05 105.19 108.36 3ddi n GLY 90 Ca -0.04 -1.79 -0.39 0.00 0.00 0.00 0.00 46.02 43.80 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 -1.47 5.67 0.34 1.61 3.84 -1.26 -4.86 114.94 118.80 3ddi s ASN 91 Ca 0.00 2.84 0.03 0.00 0.21 0.00 0.00 52.86 55.94 3ddi s ASN 91 Cb 0.00 -2.65 0.65 0.00 -0.55 0.00 0.00 41.25 38.71 3ddi s ASN 91 CO 0.00 -1.31 1.96 0.74 -2.79 0.00 0.00 177.10 175.70 3ddi h THR 92 N 1.97 1.08 -3.35 -5.21 2.02 -1.94 -3.39 112.91 104.09 3ddi h THR 92 Ca -0.51 -0.29 -0.59 0.00 0.77 0.00 0.00 66.41 65.78 3ddi h THR 92 Cb 1.28 0.14 -0.09 0.00 -1.74 0.00 0.00 68.15 67.74 3ddi h THR 92 CO 0.60 0.16 0.33 0.21 0.37 0.00 0.00 175.52 177.18 3ddi s ASN 93 N -6.24 6.78 0.27 4.18 3.84 -1.26 -4.38 114.94 118.13 3ddi s ASN 93 Ca -0.10 0.96 0.19 0.00 0.21 0.00 0.00 52.86 54.12 3ddi s ASN 93 Cb 0.19 -2.40 0.99 0.00 -0.55 0.00 0.00 41.25 39.47 3ddi s ASN 93 CO 0.78 -0.42 1.57 -2.65 -2.79 0.00 0.00 177.10 173.59 3ddi n PRO 94 N 5.62 0.12 0.04 0.43 -0.02 -1.26 0.14 135.00 140.07 3ddi n PRO 94 Ca 0.03 0.60 0.13 0.00 -2.02 0.00 0.00 63.50 62.24 3ddi n PRO 94 Cb 0.48 -1.88 0.39 0.00 -0.02 0.00 0.00 33.50 32.47 3ddi n PRO 94 CO 0.00 0.00 0.00 1.28 1.98 0.00 0.00 175.50 178.76 3ddi n LEU 95 N -2.14 0.45 -0.01 2.45 4.77 -1.26 -4.29 117.00 116.97 3ddi n LEU 95 Ca -0.01 0.35 -0.00 0.00 -0.03 0.00 0.00 56.01 56.32 3ddi n LEU 95 Cb 0.04 -0.34 -0.04 0.00 -2.33 0.00 0.00 43.42 40.76 3ddi n LEU 95 CO 0.09 -0.03 -0.62 0.00 -1.33 0.00 0.00 177.39 175.51 3ddi n ALA 96 N -1.64 2.02 -2.13 -1.18 0.00 0.12 -5.03 120.51 112.67 3ddi n ALA 96 Ca 0.06 -0.23 -0.42 0.00 0.00 0.00 0.00 53.44 52.84 3ddi n ALA 96 Cb 0.38 0.01 -0.03 0.00 0.00 0.00 0.00 19.45 19.81 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 -3.16 6.79 0.19 0.00 1.04 -0.81 -4.73 113.70 113.02 3ddi s SER 97 Ca -0.02 2.37 -0.29 0.00 0.48 0.00 0.00 55.95 58.49 3ddi s SER 97 Cb 0.02 -2.59 -0.08 0.00 0.10 0.00 0.00 66.02 63.47 3ddi s SER 97 CO 0.21 -0.67 0.90 0.00 0.98 0.00 0.00 173.24 174.66 3ddi s ALA 98 N 1.06 3.34 0.41 5.32 0.00 -1.26 -4.44 121.76 126.20 3ddi s ALA 98 Ca 0.65 0.54 -0.24 0.00 0.00 0.00 0.00 51.96 52.91 3ddi s ALA 98 Cb -0.38 -3.17 -0.11 0.00 0.00 0.00 0.00 23.12 19.47 3ddi s ALA 98 CO 0.31 0.17 1.01 -2.30 0.00 0.00 0.00 175.76 174.94 3ddi n PRO 99 N 1.87 1.35 0.00 0.00 -0.02 -1.26 -1.55 135.00 135.38 3ddi n PRO 99 Ca -0.02 0.48 0.00 0.00 -2.02 0.00 0.00 63.50 61.95 3ddi n PRO 99 Cb 0.48 -2.03 0.00 0.00 -0.02 0.00 0.00 33.50 31.93 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 1.19 2.56 3.91 -1.23 0.00 -1.26 -4.93 105.19 105.42 3ddi n GLY 100 Ca 0.09 -0.05 -0.28 0.00 0.00 0.00 0.00 46.02 45.79 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 -2.54 4.53 0.10 2.61 -4.23 -0.60 -4.91 115.64 110.61 3ddi s THR 101 Ca 0.00 0.21 -0.28 0.00 -1.18 0.00 0.00 61.69 60.44 3ddi s THR 101 Cb 0.00 -3.75 -0.11 0.00 1.34 0.00 0.00 72.50 69.98 3ddi s THR 101 CO 0.00 -0.77 1.64 0.40 -0.54 0.00 0.00 174.62 175.35 3ddi h ILE 102 N 0.06 0.45 -0.29 2.99 2.04 -0.71 0.47 117.51 122.50 3ddi h ILE 102 Ca -0.46 0.00 -0.15 0.00 1.00 0.00 0.00 64.86 65.25 3ddi h ILE 102 Cb 1.22 0.45 -0.01 0.00 -0.74 0.00 0.00 36.82 37.74 3ddi h ILE 102 CO 0.61 0.00 -0.44 0.03 0.00 0.00 0.00 178.15 178.36 3ddi h ARG 103 N -0.52 0.74 -1.01 2.37 3.08 -1.32 -0.27 114.38 117.45 3ddi h ARG 103 Ca 0.01 -0.40 0.02 0.00 0.07 0.00 0.00 59.98 59.68 3ddi h ARG 103 Cb 0.50 0.02 -0.05 0.00 0.08 0.00 0.00 29.97 30.52 3ddi h ARG 103 CO -0.09 1.02 0.66 0.78 -1.07 0.00 0.00 179.97 181.28 3ddi h GLY 104 N 0.92 1.45 1.59 0.04 0.00 -1.63 -0.78 103.07 104.66 3ddi h GLY 104 Ca 0.04 -0.52 -0.26 0.00 0.00 0.00 0.00 47.33 46.59 3ddi h GLY 104 CO 0.09 0.47 -1.28 -0.55 0.00 0.00 0.00 176.54 175.28 3ddi h ASP 105 N 1.32 0.23 0.00 0.19 3.32 -0.82 -3.41 116.42 117.26 3ddi h ASP 105 Ca 0.39 -0.28 0.00 0.00 0.02 0.00 0.00 57.03 57.16 3ddi h ASP 105 Cb -0.07 -0.08 0.00 0.00 0.22 0.00 0.00 39.33 39.40 3ddi h ASP 105 CO -0.10 1.22 -0.79 0.18 -1.72 0.00 0.00 179.24 178.03 3ddi n LEU 106 N -3.40 0.00 -4.84 1.55 4.77 -0.12 -5.06 117.00 109.90 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 1.00 0.00 -0.06 0.00 -2.33 0.00 0.00 43.42 42.04 3ddi n LEU 106 CO 0.50 0.00 -0.21 0.00 -1.33 0.00 0.00 177.39 176.35 3ddi s ALA 107 N -1.63 3.77 -0.02 -1.18 0.00 -0.32 -5.01 121.76 117.37 3ddi s ALA 107 Ca 0.00 -0.84 0.23 0.00 0.00 0.00 0.00 51.96 51.35 3ddi s ALA 107 Cb 0.00 -1.71 0.40 0.00 0.00 0.00 0.00 23.12 21.81 3ddi s ALA 107 CO 0.00 0.73 1.16 -1.71 0.00 0.00 0.00 175.76 175.95 3ddi n ASN 108 N 0.93 1.03 -3.71 0.00 5.15 -1.26 -4.76 115.26 112.64 3ddi n ASN 108 Ca -0.11 -2.21 -0.14 0.00 -0.60 0.00 0.00 54.58 51.52 3ddi n ASN 108 Cb 0.52 -0.32 -0.09 0.00 -0.53 0.00 0.00 39.78 39.37 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 -2.08 -0.38 0.44 1.20 -1.08 -1.26 -4.98 116.67 108.54 3ddi s ASP 109 Ca 0.32 0.54 0.24 0.00 -0.52 0.00 0.00 52.55 53.14 3ddi s ASP 109 Cb 0.36 0.61 0.87 0.00 -1.46 0.00 0.00 42.92 43.31 3ddi s ASP 109 CO -0.15 -0.34 1.80 -0.29 0.52 0.00 0.00 175.17 176.72 3ddi h ILE 110 N 4.01 0.49 0.00 4.11 2.10 -1.98 -3.34 117.51 122.90 3ddi h ILE 110 Ca -0.28 -1.13 -0.16 0.00 1.08 0.00 0.00 64.86 64.36 3ddi h ILE 110 Cb 1.17 1.80 -0.02 0.00 -1.09 0.00 0.00 36.82 38.68 3ddi h ILE 110 CO 0.32 0.21 -1.30 0.61 -1.08 0.00 0.00 178.15 176.91 3ddi n GLY 111 N 0.26 -0.70 3.57 8.18 0.00 -1.26 -4.69 105.19 110.55 3ddi n GLY 111 Ca 0.00 -0.14 -0.42 0.00 0.00 0.00 0.00 46.02 45.47 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 -2.51 3.81 -0.11 1.61 2.02 -1.25 -4.68 118.70 117.59 3ddi s GLU 112 Ca -0.28 -1.61 0.14 0.00 0.02 0.00 0.00 54.97 53.25 3ddi s GLU 112 Cb 0.07 -5.45 0.29 0.00 0.10 0.00 0.00 34.13 29.13 3ddi s GLU 112 CO 0.42 -2.23 1.14 0.27 0.02 0.00 0.00 175.26 174.89 3ddi n ASN 113 N 8.57 1.55 0.00 -0.19 0.23 -1.26 -4.05 115.26 120.11 3ddi n ASN 113 Ca 0.41 -2.96 0.00 0.00 -0.53 0.00 0.00 54.58 51.51 3ddi n ASN 113 Cb 0.48 -0.40 0.00 0.00 -2.08 0.00 0.00 39.78 37.79 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 -0.83 0.00 -3.75 -4.53 4.77 -1.26 -4.83 117.00 106.57 3ddi n LEU 114 Ca 0.12 0.00 -0.13 0.00 -0.03 0.00 0.00 56.01 55.98 3ddi n LEU 114 Cb 0.73 0.00 -0.11 0.00 -2.33 0.00 0.00 43.42 41.71 3ddi n LEU 114 CO -0.01 0.00 -0.03 -0.51 -1.33 0.00 0.00 177.39 175.51 3ddi s ILE 115 N 0.00 -0.01 -0.05 -0.08 2.07 -1.26 -0.91 121.20 120.96 3ddi s ILE 115 Ca 0.00 0.03 -0.03 0.00 -1.41 0.00 0.00 60.65 59.24 3ddi s ILE 115 Cb 0.00 -0.45 -0.04 0.00 0.13 0.00 0.00 42.46 42.11 3ddi s ILE 115 CO 0.00 0.01 0.10 -2.28 -1.91 0.00 0.00 174.94 170.86 3ddi s HIS 116 N 0.43 3.39 -0.01 3.50 5.65 0.40 -4.95 115.29 123.70 3ddi s HIS 116 Ca -0.02 0.32 0.01 0.00 0.25 0.00 0.00 55.06 55.62 3ddi s HIS 116 Cb -0.04 -1.82 0.01 0.00 -1.18 0.00 0.00 32.58 29.55 3ddi s HIS 116 CO -0.02 0.60 -0.02 0.00 -0.65 0.00 0.00 174.74 174.66 3ddi s ALA 117 N -1.11 0.21 0.35 1.58 0.00 -1.26 -1.27 121.76 120.26 3ddi s ALA 117 Ca 0.19 -0.02 -0.28 0.00 0.00 0.00 0.00 51.96 51.85 3ddi s ALA 117 Cb -0.12 -0.11 -0.12 0.00 0.00 0.00 0.00 23.12 22.77 3ddi s ALA 117 CO 0.10 0.02 1.29 0.43 0.00 0.00 0.00 175.76 177.60 3ddi n SER 118 N 3.30 2.77 -0.55 0.00 7.64 -0.62 -4.92 113.62 121.23 3ddi n SER 118 Ca -0.16 1.20 0.12 0.00 1.01 0.00 0.00 58.87 61.03 3ddi n SER 118 Cb 0.57 -1.49 0.07 0.00 -1.01 0.00 0.00 64.21 62.35 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 0.69 2.09 -3.79 6.43 5.68 -1.26 -4.79 116.55 121.60 3ddi n ASP 119 Ca 0.05 -1.54 -0.08 0.00 -0.50 0.00 0.00 54.79 52.72 3ddi n ASP 119 Cb 0.37 0.34 -0.02 0.00 -1.14 0.00 0.00 41.12 40.67 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 -2.38 -0.31 0.25 -1.12 1.04 -1.26 -4.95 113.70 104.97 3ddi s SER 120 Ca 0.21 -0.51 -0.06 0.00 0.48 0.00 0.00 55.95 56.07 3ddi s SER 120 Cb 0.19 0.71 0.28 0.00 0.10 0.00 0.00 66.02 67.29 3ddi s SER 120 CO 0.51 -1.28 1.90 -0.33 0.98 0.00 0.00 173.24 175.02 3ddi h GLU 121 N 2.00 1.20 -0.05 4.02 5.08 -1.96 -0.49 114.58 124.38 3ddi h GLU 121 Ca -0.21 -0.07 -0.17 0.00 -1.00 0.00 0.00 59.36 57.90 3ddi h GLU 121 Cb 1.26 -0.27 0.01 0.00 0.50 0.00 0.00 28.75 30.25 3ddi h GLU 121 CO 0.25 0.79 -0.64 -0.44 -1.00 0.00 0.00 179.01 177.97 3ddi h ASP 122 N 1.24 0.66 -0.00 1.42 3.45 -1.99 -2.52 116.42 118.67 3ddi h ASP 122 Ca 0.37 -0.70 -0.09 0.00 0.43 0.00 0.00 57.03 57.04 3ddi h ASP 122 Cb -0.05 -0.20 -0.01 0.00 -0.56 0.00 0.00 39.33 38.51 3ddi h ASP 122 CO -0.11 1.26 -0.26 0.77 -1.57 0.00 0.00 179.24 179.34 3ddi h SER 123 N 0.11 0.41 0.23 6.45 4.64 -1.94 -0.90 113.55 122.56 3ddi h SER 123 Ca -0.07 -0.14 0.00 0.00 -0.47 0.00 0.00 61.79 61.12 3ddi h SER 123 Cb 1.31 -0.11 -0.02 0.00 -0.31 0.00 0.00 62.40 63.27 3ddi h SER 123 CO 0.13 0.67 -0.22 0.00 -0.87 0.00 0.00 176.83 176.54 3ddi h ALA 124 N 1.36 -0.45 -0.78 5.18 0.00 -1.07 0.33 119.26 123.83 3ddi h ALA 124 Ca 0.05 -0.07 0.07 0.00 0.00 0.00 0.00 54.91 54.96 3ddi h ALA 124 Cb 0.65 0.31 -0.06 0.00 0.00 0.00 0.00 17.79 18.69 3ddi h ALA 124 CO 0.05 -0.78 0.46 0.28 0.00 0.00 0.00 179.25 179.25 3ddi h VAL 125 N -0.48 0.99 0.27 0.00 2.07 -1.26 0.11 116.25 117.94 3ddi h VAL 125 Ca -0.01 -0.28 -0.01 0.00 0.82 0.00 0.00 66.70 67.22 3ddi h VAL 125 Cb 0.44 0.09 -0.00 0.00 -1.52 0.00 0.00 31.29 30.30 3ddi h VAL 125 CO -0.04 0.15 -0.15 -0.78 0.02 0.00 0.00 177.57 176.77 3ddi h ASP 126 N 0.83 -0.37 -0.19 0.57 1.82 -0.80 -2.40 116.42 115.88 3ddi h ASP 126 Ca 0.35 0.02 -0.15 0.00 -0.39 0.00 0.00 57.03 56.86 3ddi h ASP 126 Cb 0.21 0.10 -0.01 0.00 0.68 0.00 0.00 39.33 40.32 3ddi h ASP 126 CO -0.19 -0.25 -0.41 -0.33 -1.61 0.00 0.00 179.24 176.45 3ddi h GLU 127 N -0.39 0.74 -0.90 0.28 5.08 0.07 -2.36 114.58 117.09 3ddi h GLU 127 Ca -0.03 -0.39 0.07 0.00 -1.00 0.00 0.00 59.36 58.00 3ddi h GLU 127 Cb 0.32 0.02 -0.06 0.00 0.50 0.00 0.00 28.75 29.52 3ddi h GLU 127 CO 0.04 1.01 0.59 0.82 -1.00 0.00 0.00 179.01 180.47 3ddi h ILE 128 N 0.60 1.06 0.00 3.13 2.04 -0.76 -1.65 117.51 121.93 3ddi h ILE 128 Ca 0.05 -0.35 -0.08 0.00 1.00 0.00 0.00 64.86 65.48 3ddi h ILE 128 Cb 0.96 -0.05 -0.01 0.00 -0.74 0.00 0.00 36.82 36.98 3ddi h ILE 128 CO 0.09 0.19 -0.37 0.77 0.00 0.00 0.00 178.15 178.83 3ddi h SER 129 N 1.02 0.00 -0.02 1.72 4.64 -0.91 -0.04 113.55 119.95 3ddi h SER 129 Ca 0.39 0.00 -0.02 0.00 -0.47 0.00 0.00 61.79 61.69 3ddi h SER 129 Cb 0.21 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.30 3ddi h SER 129 CO -0.15 0.37 -0.06 0.40 -0.87 0.00 0.00 176.83 176.53 3ddi h ILE 130 N 0.00 1.45 0.00 0.95 2.04 -0.99 -3.12 117.51 117.85 3ddi h ILE 130 Ca -0.00 -1.42 -0.12 0.00 1.00 0.00 0.00 64.86 64.32 3ddi h ILE 130 Cb 0.95 2.35 -0.02 0.00 -0.74 0.00 0.00 36.82 39.36 3ddi h ILE 130 CO 0.05 0.38 -0.91 -0.50 0.00 0.00 0.00 178.15 177.17 3ddi h TRP 131 N -0.47 0.00 -2.12 1.37 4.06 -1.39 -3.39 115.95 114.01 3ddi h TRP 131 Ca -0.00 0.00 -0.58 0.00 2.06 0.00 0.00 58.89 60.37 3ddi h TRP 131 Cb 0.65 0.00 -0.40 0.00 -1.00 0.00 0.00 29.16 28.41 3ddi h TRP 131 CO 0.13 0.46 -0.92 1.19 -3.56 0.00 0.00 178.44 175.74 3ddi n PHE 132 N -3.03 1.00 1.24 0.49 3.72 -0.03 -5.03 117.46 115.83 3ddi n PHE 132 Ca -0.03 -3.76 0.10 0.00 -0.05 0.00 0.00 57.45 53.71 3ddi n PHE 132 Cb 0.75 -0.39 0.59 0.00 -0.94 0.00 0.00 39.48 39.50 3ddi n PHE 132 CO 0.00 0.00 0.00 -0.35 -0.05 0.00 0.00 176.76 176.36