#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2dll s SER 2 N 0.00 3.20 -0.41 1.61 0.15 -1.26 -5.09 113.70 111.90 2dll s SER 2 Ca 0.00 -0.43 -0.29 0.00 0.70 0.00 0.00 55.95 55.93 2dll s SER 2 Cb 0.00 -0.46 0.02 0.00 -1.71 0.00 0.00 66.02 63.87 2dll s SER 2 CO 0.00 0.32 1.11 -0.94 1.20 0.00 0.00 173.24 174.93 2dll s SER 3 N -0.59 6.76 0.00 5.45 1.04 -1.26 -4.87 113.70 120.24 2dll s SER 3 Ca 0.09 0.73 0.00 0.00 0.48 0.00 0.00 55.95 57.25 2dll s SER 3 Cb -0.10 -2.55 0.00 0.00 0.10 0.00 0.00 66.02 63.47 2dll s SER 3 CO -0.00 -1.09 0.00 0.61 0.98 0.00 0.00 173.24 173.73 2dll n GLY 4 N 4.42 4.15 3.77 7.32 0.00 -1.26 -5.10 105.19 118.50 2dll n GLY 4 Ca 0.12 -1.51 -0.38 0.00 0.00 0.00 0.00 46.02 44.25 2dll n GLY 4 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 2dll s SER 5 N 0.00 6.67 0.09 1.61 0.15 -1.26 -5.01 113.70 115.94 2dll s SER 5 Ca 0.00 0.79 -0.33 0.00 0.70 0.00 0.00 55.95 57.11 2dll s SER 5 Cb 0.00 -2.24 -0.15 0.00 -1.71 0.00 0.00 66.02 61.92 2dll s SER 5 CO 0.00 0.17 1.52 -1.28 1.20 0.00 0.00 173.24 174.85 2dll h SER 6 N 5.85 -1.38 0.00 5.45 0.87 -1.98 -3.46 113.55 118.89 2dll h SER 6 Ca -0.46 0.12 0.00 0.00 -1.23 0.00 0.00 61.79 60.23 2dll h SER 6 Cb 1.19 0.48 0.00 0.00 -0.44 0.00 0.00 62.40 63.63 2dll h SER 6 CO 0.69 -0.59 0.00 0.61 -0.53 0.00 0.00 176.83 177.01 2dll n GLY 7 N -1.50 0.85 2.90 5.77 0.00 -1.26 -5.09 105.19 106.86 2dll n GLY 7 Ca -0.10 0.57 -0.10 0.00 0.00 0.00 0.00 46.02 46.39 2dll n GLY 7 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2dll s LYS 8 N 0.00 0.38 -0.05 1.61 -0.14 -1.26 -5.03 119.74 115.25 2dll s LYS 8 Ca 0.00 0.25 -0.21 0.00 -1.36 0.00 0.00 55.97 54.65 2dll s LYS 8 Cb 0.00 -0.40 -0.31 0.00 -1.68 0.00 0.00 37.83 35.45 2dll s LYS 8 CO 0.00 -0.90 0.84 1.25 -0.76 0.00 0.00 175.35 175.78 2dll h LEU 9 N 8.18 0.47 -0.18 3.17 5.85 -2.01 -3.04 115.31 127.75 2dll h LEU 9 Ca -0.13 -0.93 0.02 0.00 0.84 0.00 0.00 57.88 57.67 2dll h LEU 9 Cb 1.13 -0.15 -0.02 0.00 0.37 0.00 0.00 40.66 41.98 2dll h LEU 9 CO 0.27 1.45 -0.12 -0.09 -0.34 0.00 0.00 178.44 179.61 2dll h ARG 10 N -0.34 -0.02 0.39 1.25 2.43 -2.00 0.19 114.38 116.28 2dll h ARG 10 Ca -0.18 0.00 -0.02 0.00 -0.81 0.00 0.00 59.98 58.98 2dll h ARG 10 Cb 1.68 0.00 0.00 0.00 -0.42 0.00 0.00 29.97 31.24 2dll h ARG 10 CO 0.14 -0.01 -0.20 0.37 -1.51 0.00 0.00 179.97 178.75 2dll h GLN 11 N -0.02 -0.53 -0.95 0.20 -0.00 -1.99 -1.85 115.11 109.96 2dll h GLN 11 Ca 0.03 0.04 0.18 0.00 -0.00 0.00 0.00 58.65 58.90 2dll h GLN 11 Cb 0.09 0.12 -0.18 0.00 0.00 0.00 0.00 27.48 27.52 2dll h GLN 11 CO -0.17 -0.35 -0.27 1.87 0.00 0.00 0.00 178.83 179.90 2dll n TRP 12 N -5.33 0.27 -0.05 3.99 -0.00 -0.89 0.18 117.44 115.61 2dll n TRP 12 Ca -0.11 1.17 -0.12 0.00 -0.00 0.00 0.00 57.50 58.45 2dll n TRP 12 Cb 0.24 -1.01 -0.06 0.00 -0.00 0.00 0.00 31.31 30.49 2dll n TRP 12 CO 0.00 0.00 0.00 1.25 -0.00 0.00 0.00 177.69 178.94 2dll h LEU 13 N 0.00 0.28 -1.03 5.87 5.85 -0.44 -2.90 115.31 122.94 2dll h LEU 13 Ca 0.43 -0.29 0.14 0.00 0.84 0.00 0.00 57.88 59.00 2dll h LEU 13 Cb 0.67 -0.08 -0.09 0.00 0.37 0.00 0.00 40.66 41.53 2dll h LEU 13 CO -0.98 0.50 0.62 0.40 -0.34 0.00 0.00 178.44 178.65 2dll h ILE 14 N 0.06 0.85 -0.78 4.05 2.04 0.59 -0.27 117.51 124.05 2dll h ILE 14 Ca 0.05 -0.31 -0.02 0.00 1.00 0.00 0.00 64.86 65.57 2dll h ILE 14 Cb 0.35 -0.14 -0.04 0.00 -0.74 0.00 0.00 36.82 36.26 2dll h ILE 14 CO 0.01 0.17 0.40 -0.78 0.00 0.00 0.00 178.15 177.94 2dll h ASP 15 N 0.91 1.00 -0.50 1.72 3.58 -0.40 0.11 116.42 122.85 2dll h ASP 15 Ca 0.52 -0.12 -0.13 0.00 0.42 0.00 0.00 57.03 57.72 2dll h ASP 15 Cb 0.62 -0.26 -0.01 0.00 1.72 0.00 0.00 39.33 41.40 2dll h ASP 15 CO -0.29 0.84 -0.20 1.56 -2.88 0.00 0.00 179.24 178.27 2dll h GLN 16 N 1.10 1.01 -0.26 0.28 1.08 -0.92 -2.39 115.11 115.00 2dll h GLN 16 Ca 0.27 -0.42 -0.08 0.00 -1.45 0.00 0.00 58.65 56.97 2dll h GLN 16 Cb 0.08 -0.04 -0.01 0.00 -0.05 0.00 0.00 27.48 27.46 2dll h GLN 16 CO -0.04 1.10 -0.16 0.82 -0.95 0.00 0.00 178.83 179.61 2dll h ILE 17 N 0.87 1.30 -0.50 2.54 2.04 -0.86 -2.62 117.51 120.28 2dll h ILE 17 Ca 0.12 -1.27 0.04 0.00 1.00 0.00 0.00 64.86 64.75 2dll h ILE 17 Cb 0.78 1.55 -0.04 0.00 -0.74 0.00 0.00 36.82 38.37 2dll h ILE 17 CO 0.06 0.40 0.27 -0.78 0.00 0.00 0.00 178.15 178.11 2dll h ASP 18 N 0.30 0.41 -0.38 1.72 3.58 -0.76 -1.86 116.42 119.43 2dll h ASP 18 Ca 0.06 0.02 -0.02 0.00 0.42 0.00 0.00 57.03 57.50 2dll h ASP 18 Cb 0.68 -0.06 -0.02 0.00 1.72 0.00 0.00 39.33 41.65 2dll h ASP 18 CO 0.04 0.29 0.16 0.77 -2.88 0.00 0.00 179.24 177.63 2dll h SER 19 N 0.54 0.56 -1.43 2.28 4.64 -1.41 -3.46 113.55 115.27 2dll h SER 19 Ca 0.21 -0.06 -0.30 0.00 -0.47 0.00 0.00 61.79 61.17 2dll h SER 19 Cb 0.09 -0.14 -0.07 0.00 -0.31 0.00 0.00 62.40 61.97 2dll h SER 19 CO -0.13 0.52 -0.33 0.61 -0.87 0.00 0.00 176.83 176.62 2dll n GLY 20 N -1.14 0.63 0.17 -0.77 0.00 -0.70 -4.90 105.19 98.47 2dll n GLY 20 Ca 0.03 -0.29 -0.12 0.00 0.00 0.00 0.00 46.02 45.64 2dll n GLY 20 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 2dll h LYS 21 N 0.00 0.53 -6.48 1.61 1.57 -1.86 -3.43 116.57 108.50 2dll h LYS 21 Ca -0.33 -0.25 -0.53 0.00 -1.87 0.00 0.00 60.65 57.68 2dll h LYS 21 Cb 1.12 -0.01 -0.03 0.00 0.08 0.00 0.00 32.23 33.39 2dll h LYS 21 CO 0.43 0.81 0.22 0.71 -0.57 0.00 0.00 179.45 181.05 2dll s TYR 22 N -4.51 3.85 0.46 -1.35 1.51 -1.26 -5.04 117.35 111.01 2dll s TYR 22 Ca -0.13 1.64 -0.23 0.00 -1.01 0.00 0.00 57.07 57.34 2dll s TYR 22 Cb 0.07 -2.85 -0.07 0.00 -0.11 0.00 0.00 41.96 39.00 2dll s TYR 22 CO 0.78 0.39 1.17 -1.25 -1.11 0.00 0.00 175.55 175.53 2dll s PRO 23 N -0.64 3.75 0.00 -1.71 0.04 -1.26 -3.37 135.00 131.81 2dll s PRO 23 Ca 0.39 1.78 0.00 0.00 0.04 0.00 0.00 61.00 63.21 2dll s PRO 23 Cb -0.23 -2.40 0.00 0.00 0.04 0.00 0.00 34.50 31.91 2dll s PRO 23 CO 0.26 -0.56 0.00 0.41 0.04 0.00 0.00 177.00 177.15 2dll n GLY 24 N 0.44 1.98 3.56 0.56 0.00 -1.26 -4.73 105.19 105.74 2dll n GLY 24 Ca 0.07 -0.32 -0.40 0.00 0.00 0.00 0.00 46.02 45.37 2dll n GLY 24 CO 0.00 0.00 0.00 -2.27 0.00 0.00 0.00 173.32 171.05 2dll s LEU 25 N 0.00 3.29 0.02 0.99 2.96 -1.22 -4.49 118.68 120.23 2dll s LEU 25 Ca 0.00 0.08 -0.09 0.00 -0.22 0.00 0.00 54.13 53.90 2dll s LEU 25 Cb 0.00 -2.74 0.00 0.00 0.50 0.00 0.00 46.19 43.95 2dll s LEU 25 CO 0.00 -1.95 0.17 0.68 -1.32 0.00 0.00 176.35 173.92 2dll s VAL 26 N 6.87 0.09 -0.17 1.68 -7.23 -1.21 -4.72 120.40 115.72 2dll s VAL 26 Ca 0.52 -0.77 -0.29 0.00 -1.81 0.00 0.00 61.98 59.62 2dll s VAL 26 Cb -0.11 -0.64 -0.00 0.00 0.56 0.00 0.00 36.38 36.19 2dll s VAL 26 CO 0.21 -0.42 1.12 0.26 -0.31 0.00 0.00 175.10 175.95 2dll s TRP 27 N -1.85 3.20 0.36 2.82 0.52 -1.26 -1.89 118.94 120.84 2dll s TRP 27 Ca -0.11 1.32 0.17 0.00 0.02 0.00 0.00 56.10 57.51 2dll s TRP 27 Cb -0.05 -3.34 0.92 0.00 -1.15 0.00 0.00 33.47 29.84 2dll s TRP 27 CO -0.00 -0.89 1.89 0.93 0.02 0.00 0.00 176.95 178.89 2dll h GLU 28 N 7.62 0.00 -5.50 4.98 5.08 -0.35 -3.45 114.58 122.96 2dll h GLU 28 Ca -0.24 0.00 -0.61 0.00 -1.00 0.00 0.00 59.36 57.51 2dll h GLU 28 Cb 1.10 0.00 -0.13 0.00 0.50 0.00 0.00 28.75 30.21 2dll h GLU 28 CO 0.95 0.29 -0.59 0.54 -1.00 0.00 0.00 179.01 179.21 2dll s ASN 29 N -6.67 3.64 0.11 1.42 2.20 -1.22 -5.04 114.94 109.38 2dll s ASN 29 Ca -0.02 -1.42 0.00 0.00 -0.94 0.00 0.00 52.86 50.47 2dll s ASN 29 Cb 0.14 -0.19 -0.17 0.00 -2.00 0.00 0.00 41.25 39.02 2dll s ASN 29 CO 0.68 -0.55 1.25 -0.33 -2.94 0.00 0.00 177.10 175.22 2dll h GLU 30 N 1.77 0.20 0.00 3.55 4.39 -1.93 -3.17 114.58 119.39 2dll h GLU 30 Ca -0.43 -0.29 0.00 0.00 0.34 0.00 0.00 59.36 58.98 2dll h GLU 30 Cb 1.25 0.10 0.00 0.00 -0.10 0.00 0.00 28.75 30.00 2dll h GLU 30 CO 0.77 1.09 0.08 -0.85 -1.16 0.00 0.00 179.01 178.95 2dll n GLU 31 N -3.54 0.07 -2.80 2.33 0.28 -1.26 -4.79 120.64 110.93 2dll n GLU 31 Ca -0.05 0.54 -0.20 0.00 -0.16 0.00 0.00 57.16 57.29 2dll n GLU 31 Cb 0.93 -1.82 0.02 0.00 1.43 0.00 0.00 31.44 32.00 2dll n GLU 31 CO 0.00 0.00 0.00 1.63 -0.16 0.00 0.00 177.13 178.60 2dll n LYS 32 N -1.87 -3.72 -0.10 3.44 4.76 -1.20 -4.89 118.16 114.59 2dll n LYS 32 Ca -0.01 0.84 -0.13 0.00 -2.87 0.00 0.00 58.31 56.14 2dll n LYS 32 Cb 0.10 -5.46 -0.10 0.00 -1.84 0.00 0.00 35.03 27.73 2dll n LYS 32 CO 0.00 0.00 0.00 0.45 -1.37 0.00 0.00 177.40 176.48 2dll n SER 33 N -1.93 2.15 -4.63 4.39 2.88 -1.26 -4.98 113.62 110.23 2dll n SER 33 Ca -0.13 -0.09 -0.34 0.00 -1.33 0.00 0.00 58.87 56.98 2dll n SER 33 Cb 0.62 -0.08 -0.10 0.00 -0.75 0.00 0.00 64.21 63.90 2dll n SER 33 CO 0.00 0.00 0.00 -0.63 -1.23 0.00 0.00 175.04 173.18 2dll s ILE 34 N -2.40 4.00 0.30 2.46 1.01 -1.26 -2.06 121.20 123.24 2dll s ILE 34 Ca -0.24 -0.37 -0.08 0.00 0.00 0.00 0.00 60.65 59.97 2dll s ILE 34 Cb 0.07 -2.66 0.00 0.00 0.01 0.00 0.00 42.46 39.88 2dll s ILE 34 CO 0.51 0.60 0.48 0.72 0.00 0.00 0.00 174.94 177.25 2dll s PHE 35 N -0.85 0.71 -0.04 3.97 -0.71 -1.12 0.42 117.98 120.35 2dll s PHE 35 Ca 0.13 -1.03 0.04 0.00 -1.04 0.00 0.00 56.93 55.02 2dll s PHE 35 Cb -0.11 0.07 0.00 0.00 -1.21 0.00 0.00 43.02 41.77 2dll s PHE 35 CO 0.02 -1.09 -0.15 -0.98 -1.34 0.00 0.00 175.22 171.68 2dll s ARG 36 N -3.44 1.65 -0.09 1.99 1.70 -0.79 -2.40 118.95 117.57 2dll s ARG 36 Ca 0.27 -0.53 0.02 0.00 -0.47 0.00 0.00 55.73 55.01 2dll s ARG 36 Cb -0.00 -1.43 -0.02 0.00 -0.57 0.00 0.00 34.95 32.93 2dll s ARG 36 CO 0.15 0.19 -0.14 -1.50 -1.08 0.00 0.00 175.30 172.92 2dll s ILE 37 N 0.16 3.07 -0.19 4.99 2.07 -0.51 -3.32 121.20 127.47 2dll s ILE 37 Ca -0.06 -0.69 -0.29 0.00 -1.41 0.00 0.00 60.65 58.20 2dll s ILE 37 Cb -0.12 -2.24 -0.03 0.00 0.13 0.00 0.00 42.46 40.20 2dll s ILE 37 CO 0.02 0.56 1.59 -2.16 -1.91 0.00 0.00 174.94 173.04 2dll s PRO 38 N -0.23 3.88 -0.40 3.50 0.04 -1.26 0.30 135.00 140.83 2dll s PRO 38 Ca 0.01 1.73 -0.04 0.00 0.04 0.00 0.00 61.00 62.74 2dll s PRO 38 Cb -0.13 -4.01 0.10 0.00 0.04 0.00 0.00 34.50 30.50 2dll s PRO 38 CO 0.03 -1.19 0.19 -0.46 0.04 0.00 0.00 177.00 175.62 2dll s TRP 39 N 4.90 3.50 0.01 0.56 -0.11 -0.79 -4.91 118.94 122.10 2dll s TRP 39 Ca 0.70 -2.19 0.02 0.00 1.22 0.00 0.00 56.10 55.85 2dll s TRP 39 Cb -0.26 -3.06 -0.01 0.00 -1.50 0.00 0.00 33.47 28.65 2dll s TRP 39 CO 0.28 -0.94 -0.06 0.15 -4.62 0.00 0.00 176.95 171.77 2dll s LYS 40 N 1.21 0.43 0.33 5.86 1.02 -1.26 -4.39 119.74 122.94 2dll s LYS 40 Ca 0.06 -0.32 -0.17 0.00 0.02 0.00 0.00 55.97 55.55 2dll s LYS 40 Cb -0.23 -0.36 -0.09 0.00 -0.52 0.00 0.00 37.83 36.63 2dll s LYS 40 CO -0.03 0.09 0.79 -1.58 -0.92 0.00 0.00 175.35 173.70 2dll s HIS 41 N -0.43 3.41 -0.45 3.18 5.65 -1.26 -5.03 115.29 120.36 2dll s HIS 41 Ca -0.01 1.34 -0.24 0.00 0.25 0.00 0.00 55.06 56.40 2dll s HIS 41 Cb -0.04 -2.62 0.03 0.00 -1.18 0.00 0.00 32.58 28.76 2dll s HIS 41 CO -0.00 0.09 0.84 0.00 -0.65 0.00 0.00 174.74 175.02 2dll s ALA 42 N -1.95 3.28 -0.25 1.58 0.00 -1.26 -4.80 121.76 118.35 2dll s ALA 42 Ca 0.54 -0.90 0.10 0.00 0.00 0.00 0.00 51.96 51.70 2dll s ALA 42 Cb -0.11 -3.53 0.30 0.00 0.00 0.00 0.00 23.12 19.78 2dll s ALA 42 CO 0.17 -1.95 1.38 0.41 0.00 0.00 0.00 175.76 175.77 2dll n GLY 43 N 4.93 1.59 3.14 0.00 0.00 -1.26 -5.14 105.19 108.44 2dll n GLY 43 Ca 0.04 -0.13 -0.08 0.00 0.00 0.00 0.00 46.02 45.85 2dll n GLY 43 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 2dll s LYS 44 N 0.10 0.79 -0.17 1.61 2.36 -1.26 -5.07 119.74 118.10 2dll s LYS 44 Ca 0.07 -1.29 -0.10 0.00 -2.55 0.00 0.00 55.97 52.10 2dll s LYS 44 Cb 0.33 0.24 -0.23 0.00 -1.05 0.00 0.00 37.83 37.13 2dll s LYS 44 CO -0.10 -0.20 0.21 1.04 1.55 0.00 0.00 175.35 177.85 2dll n GLN 45 N -0.01 0.69 0.00 4.03 1.13 -1.26 -4.01 117.38 117.95 2dll n GLN 45 Ca -0.10 0.32 0.09 0.00 -1.94 0.00 0.00 57.00 55.37 2dll n GLN 45 Cb 0.62 -1.68 0.54 0.00 0.11 0.00 0.00 30.24 29.84 2dll n GLN 45 CO 0.00 0.00 0.00 -0.25 -1.44 0.00 0.00 177.06 175.37 2dll n ASP 46 N -3.72 0.00 -4.12 1.08 9.92 -1.26 -4.81 116.55 113.63 2dll n ASP 46 Ca -0.35 -0.71 -0.29 0.00 -0.53 0.00 0.00 54.79 52.91 2dll n ASP 46 Cb 0.95 0.00 0.24 0.00 -0.64 0.00 0.00 41.12 41.67 2dll n ASP 46 CO 0.00 0.00 0.00 -0.72 0.13 0.00 0.00 177.20 176.61 2dll s TYR 47 N -2.00 0.83 -0.21 1.24 1.13 -1.26 -5.03 117.35 112.05 2dll s TYR 47 Ca 0.28 0.81 0.01 0.00 -1.41 0.00 0.00 57.07 56.76 2dll s TYR 47 Cb 0.13 -3.17 0.04 0.00 -1.10 0.00 0.00 41.96 37.86 2dll s TYR 47 CO 0.21 -3.96 -0.11 -0.80 -2.51 0.00 0.00 175.55 168.38 2dll s ASN 48 N -3.20 3.59 -0.00 -0.18 0.01 -1.26 -5.01 114.94 108.88 2dll s ASN 48 Ca 0.68 -0.97 -0.25 0.00 -0.71 0.00 0.00 52.86 51.61 2dll s ASN 48 Cb -0.17 -1.32 -0.19 0.00 0.41 0.00 0.00 41.25 39.98 2dll s ASN 48 CO 0.60 -0.14 1.29 0.03 -1.51 0.00 0.00 177.10 177.37 2dll h ARG 49 N 7.93 -0.09 -0.38 -0.60 3.08 -1.97 0.16 114.38 122.52 2dll h ARG 49 Ca -0.28 0.01 0.04 0.00 0.07 0.00 0.00 59.98 59.82 2dll h ARG 49 Cb 1.09 0.02 -0.04 0.00 0.08 0.00 0.00 29.97 31.12 2dll h ARG 49 CO 0.49 0.30 0.16 0.93 -1.07 0.00 0.00 179.97 180.78 2dll h GLU 50 N -0.50 0.33 -0.21 0.04 4.39 -1.95 0.22 114.58 116.89 2dll h GLU 50 Ca -0.01 -0.02 -0.04 0.00 0.34 0.00 0.00 59.36 59.63 2dll h GLU 50 Cb 0.43 -0.07 -0.01 0.00 -0.10 0.00 0.00 28.75 29.00 2dll h GLU 50 CO 0.02 0.22 -0.04 0.93 -1.16 0.00 0.00 179.01 178.97 2dll h GLU 51 N 0.34 0.40 0.07 2.33 4.39 -1.96 1.34 114.58 121.48 2dll h GLU 51 Ca 0.17 -0.15 0.01 0.00 0.34 0.00 0.00 59.36 59.73 2dll h GLU 51 Cb 0.11 -0.02 -0.01 0.00 -0.10 0.00 0.00 28.75 28.73 2dll h GLU 51 CO -0.14 0.64 -0.09 -0.44 -1.16 0.00 0.00 179.01 177.81 2dll h ASP 52 N 0.13 -0.24 -0.56 1.42 3.32 -0.38 -2.49 116.42 117.61 2dll h ASP 52 Ca 0.05 0.03 0.00 0.00 0.02 0.00 0.00 57.03 57.13 2dll h ASP 52 Cb 0.48 0.09 0.00 0.00 0.22 0.00 0.00 39.33 40.13 2dll h ASP 52 CO 0.02 -0.14 0.00 0.00 -1.72 0.00 0.00 179.24 177.40 2dll n ALA 53 N -2.28 3.48 0.30 3.45 0.00 0.74 -4.54 120.51 121.66 2dll n ALA 53 Ca -0.07 -1.63 -0.17 0.00 0.00 0.00 0.00 53.44 51.57 2dll n ALA 53 Cb 0.13 -1.08 -0.08 0.00 0.00 0.00 0.00 19.45 18.42 2dll n ALA 53 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 2dll h ALA 54 N 3.93 -0.89 0.10 0.00 0.00 0.23 0.18 119.26 122.80 2dll h ALA 54 Ca 0.00 -0.16 -0.01 0.00 0.00 0.00 0.00 54.91 54.74 2dll h ALA 54 Cb 1.66 0.49 0.00 0.00 0.00 0.00 0.00 17.79 19.94 2dll h ALA 54 CO 0.36 -1.03 -0.05 1.25 0.00 0.00 0.00 179.25 179.78 2dll h LEU 55 N -0.86 -0.12 -0.65 0.00 5.85 -1.80 -3.26 115.31 114.47 2dll h LEU 55 Ca -0.06 -0.45 0.14 0.00 0.84 0.00 0.00 57.88 58.34 2dll h LEU 55 Cb 0.73 0.03 -0.12 0.00 0.37 0.00 0.00 40.66 41.67 2dll h LEU 55 CO 0.02 0.51 -0.06 -0.26 -0.34 0.00 0.00 178.44 178.30 2dll h PHE 56 N -0.86 -0.16 -0.39 1.25 0.04 -1.82 -1.70 116.94 113.30 2dll h PHE 56 Ca -0.01 0.05 0.06 0.00 2.80 0.00 0.00 57.97 60.87 2dll h PHE 56 Cb 0.56 0.17 -0.09 0.00 2.20 0.00 0.00 35.95 38.80 2dll h PHE 56 CO 0.11 -0.22 -0.48 -0.22 -0.60 0.00 0.00 178.31 176.91 2dll h LYS 57 N 0.06 -0.35 -0.95 1.51 1.63 -0.74 -1.82 116.57 115.91 2dll h LYS 57 Ca 0.33 0.02 0.10 0.00 -0.85 0.00 0.00 60.65 60.25 2dll h LYS 57 Cb 0.54 0.08 -0.12 0.00 -0.60 0.00 0.00 32.23 32.13 2dll h LYS 57 CO -0.60 -0.24 -0.53 0.00 -3.45 0.00 0.00 179.45 174.64 2dll n ALA 58 N -3.07 -0.52 -0.08 5.00 0.00 -0.64 -0.29 120.51 120.91 2dll n ALA 58 Ca -0.02 0.83 -0.07 0.00 0.00 0.00 0.00 53.44 54.19 2dll n ALA 58 Cb 0.35 -0.19 -0.00 0.00 0.00 0.00 0.00 19.45 19.61 2dll n ALA 58 CO 0.00 0.00 0.00 2.35 0.00 0.00 0.00 177.50 179.85 2dll h TRP 59 N 0.00 -0.43 -1.67 0.00 2.91 -1.32 -0.03 115.95 115.42 2dll h TRP 59 Ca 0.19 0.04 0.51 0.00 1.13 0.00 0.00 58.89 60.75 2dll h TRP 59 Cb 0.42 0.24 -0.10 0.00 -0.51 0.00 0.00 29.16 29.21 2dll h TRP 59 CO -0.95 -0.25 1.16 0.00 -1.03 0.00 0.00 178.44 177.37 2dll n ALA 60 N -2.75 1.62 -0.03 2.65 0.00 0.61 0.21 120.51 122.82 2dll n ALA 60 Ca 0.00 0.70 -0.12 0.00 0.00 0.00 0.00 53.44 54.03 2dll n ALA 60 Cb 0.25 -1.06 -0.14 0.00 0.00 0.00 0.00 19.45 18.51 2dll n ALA 60 CO 0.00 0.00 0.00 1.28 0.00 0.00 0.00 177.50 178.78 2dll n LEU 61 N -4.12 1.17 0.20 0.00 4.77 -0.12 -1.71 117.00 117.19 2dll n LEU 61 Ca 0.41 0.28 -0.08 0.00 -0.03 0.00 0.00 56.01 56.59 2dll n LEU 61 Cb 1.76 -0.08 -0.04 0.00 -2.33 0.00 0.00 43.42 42.74 2dll n LEU 61 CO 0.33 0.52 0.35 0.15 -1.33 0.00 0.00 177.39 177.41 2dll h PHE 62 N 0.01 -0.50 0.10 -1.77 3.04 0.35 -2.25 116.94 115.92 2dll h PHE 62 Ca -0.37 -0.01 -0.30 0.00 3.98 0.00 0.00 57.97 61.27 2dll h PHE 62 Cb 2.05 0.17 -0.01 0.00 2.56 0.00 0.00 35.95 40.71 2dll h PHE 62 CO 0.02 -0.31 -1.60 -0.22 -2.02 0.00 0.00 178.31 174.17 2dll h LYS 63 N -0.74 0.22 -0.17 1.11 1.63 -1.17 -3.36 116.57 114.09 2dll h LYS 63 Ca -0.06 -0.37 -0.04 0.00 -0.85 0.00 0.00 60.65 59.33 2dll h LYS 63 Cb 0.42 0.14 -0.01 0.00 -0.60 0.00 0.00 32.23 32.17 2dll h LYS 63 CO 0.09 1.18 -0.09 0.78 -3.45 0.00 0.00 179.45 177.95 2dll h GLY 64 N 0.25 0.29 -4.83 5.01 0.00 -1.38 -3.46 103.07 98.95 2dll h GLY 64 Ca -0.35 -0.17 -0.41 0.00 0.00 0.00 0.00 47.33 46.40 2dll h GLY 64 CO 0.03 0.16 -0.62 0.28 0.00 0.00 0.00 176.54 176.38 2dll n LYS 65 N -4.30 -5.30 -1.94 4.80 4.01 -0.70 -4.91 118.16 109.84 2dll n LYS 65 Ca -0.00 0.86 -0.33 0.00 -0.51 0.00 0.00 58.31 58.32 2dll n LYS 65 Cb 0.25 -5.74 0.02 0.00 -0.51 0.00 0.00 35.03 29.05 2dll n LYS 65 CO 0.00 0.00 0.00 0.12 -1.11 0.00 0.00 177.40 176.41 2dll s PHE 66 N -3.19 2.86 -0.23 2.13 5.36 -1.15 -5.00 117.98 118.77 2dll s PHE 66 Ca 0.37 1.52 -0.01 0.00 -0.96 0.00 0.00 56.93 57.85 2dll s PHE 66 Cb -0.17 -3.06 0.02 0.00 -0.34 0.00 0.00 43.02 39.47 2dll s PHE 66 CO 0.45 -1.32 -0.08 0.50 -1.46 0.00 0.00 175.22 173.31 2dll s ARG 67 N -4.10 2.94 0.50 10.12 3.52 -1.26 -4.82 118.95 125.85 2dll s ARG 67 Ca 0.65 -0.90 -0.22 0.00 -0.13 0.00 0.00 55.73 55.13 2dll s ARG 67 Cb -0.18 -2.91 -0.07 0.00 -1.56 0.00 0.00 34.95 30.23 2dll s ARG 67 CO 0.39 -0.34 1.16 -2.00 -0.81 0.00 0.00 175.30 173.70 2dll s GLU 68 N 1.34 3.58 0.00 5.12 2.56 -1.26 -2.29 118.70 127.75 2dll s GLU 68 Ca 0.02 1.73 0.00 0.00 0.00 0.00 0.00 54.97 56.72 2dll s GLU 68 Cb -0.16 -2.25 0.00 0.00 2.00 0.00 0.00 34.13 33.73 2dll s GLU 68 CO -0.06 -0.69 0.00 0.41 -0.56 0.00 0.00 175.26 174.36 2dll n GLY 69 N 0.35 1.96 0.04 -1.50 0.00 -1.26 -4.71 105.19 100.08 2dll n GLY 69 Ca 0.09 -0.38 -0.01 0.00 0.00 0.00 0.00 46.02 45.72 2dll n GLY 69 CO 0.00 0.00 0.00 -2.22 0.00 0.00 0.00 173.32 171.10 2dll h ILE 70 N 0.00 0.00 -3.54 -0.61 2.04 -2.01 -3.47 117.51 109.92 2dll h ILE 70 Ca 0.00 -0.67 -0.52 0.00 1.00 0.00 0.00 64.86 64.67 2dll h ILE 70 Cb 0.00 0.00 -0.03 0.00 -0.74 0.00 0.00 36.82 36.05 2dll h ILE 70 CO 0.00 0.00 0.02 -1.81 0.00 0.00 0.00 178.15 176.36 2dll s ASP 71 N -4.85 6.83 -0.12 1.72 1.01 -0.97 -5.03 116.67 115.27 2dll s ASP 71 Ca -0.05 1.21 -0.30 0.00 0.71 0.00 0.00 52.55 54.12 2dll s ASP 71 Cb 0.01 -2.34 -0.02 0.00 1.01 0.00 0.00 42.92 41.58 2dll s ASP 71 CO 0.07 -0.05 1.20 -0.75 0.21 0.00 0.00 175.17 175.85 2dll s LYS 72 N -2.46 4.30 0.51 8.23 2.47 -1.26 -4.75 119.74 126.79 2dll s LYS 72 Ca 0.46 1.62 -0.21 0.00 -1.56 0.00 0.00 55.97 56.28 2dll s LYS 72 Cb -0.13 -3.64 -0.06 0.00 -1.46 0.00 0.00 37.83 32.53 2dll s LYS 72 CO 0.19 -0.55 1.14 -1.25 0.16 0.00 0.00 175.35 175.04 2dll s PRO 73 N 2.78 3.52 -0.28 4.03 0.04 -1.26 -5.05 135.00 138.78 2dll s PRO 73 Ca 0.54 1.68 0.02 0.00 0.04 0.00 0.00 61.00 63.28 2dll s PRO 73 Cb -0.22 -2.17 0.17 0.00 0.04 0.00 0.00 34.50 32.32 2dll s PRO 73 CO 0.17 -0.73 0.46 0.34 0.04 0.00 0.00 177.00 177.28 2dll s ASP 74 N -1.60 -0.21 0.28 6.66 2.15 -1.26 -5.03 116.67 117.65 2dll s ASP 74 Ca 0.69 -0.09 0.02 0.00 0.43 0.00 0.00 52.55 53.60 2dll s ASP 74 Cb -0.26 1.39 0.68 0.00 -0.30 0.00 0.00 42.92 44.44 2dll s ASP 74 CO 0.30 -0.33 1.69 -0.65 -0.17 0.00 0.00 175.17 176.01 2dll h PRO 75 N 8.12 0.35 -0.87 4.34 0.11 -1.99 -0.98 132.00 141.08 2dll h PRO 75 Ca -0.09 -0.02 0.21 0.00 0.11 0.00 0.00 66.00 66.21 2dll h PRO 75 Cb 1.14 -0.08 -0.12 0.00 0.11 0.00 0.00 31.00 32.05 2dll h PRO 75 CO 0.24 0.23 0.35 -1.35 -0.21 0.00 0.00 178.00 177.26 2dll h PRO 76 N 0.36 0.36 -0.22 1.05 0.11 -1.99 0.33 132.00 132.00 2dll h PRO 76 Ca 0.54 -0.02 -0.07 0.00 0.11 0.00 0.00 66.00 66.56 2dll h PRO 76 Cb 1.01 -0.08 -0.01 0.00 0.11 0.00 0.00 31.00 32.03 2dll h PRO 76 CO -0.54 0.24 -0.12 1.15 -0.21 0.00 0.00 178.00 178.51 2dll h THR 77 N 0.37 1.31 0.71 -1.15 2.02 -1.61 -3.00 112.91 111.55 2dll h THR 77 Ca 0.53 -1.21 -0.03 0.00 0.77 0.00 0.00 66.41 66.47 2dll h THR 77 Cb 1.00 1.63 0.01 0.00 -1.74 0.00 0.00 68.15 69.05 2dll h THR 77 CO -0.53 0.37 -0.34 -0.50 0.37 0.00 0.00 175.52 174.88 2dll h TRP 78 N 0.17 -0.89 -0.98 3.16 6.55 -1.02 0.19 115.95 123.14 2dll h TRP 78 Ca 0.05 -0.02 0.33 0.00 0.95 0.00 0.00 58.89 60.20 2dll h TRP 78 Cb 0.63 0.29 -0.17 0.00 -0.86 0.00 0.00 29.16 29.05 2dll h TRP 78 CO 0.07 -0.53 0.35 -0.22 -1.05 0.00 0.00 178.44 177.06 2dll h LYS 79 N -1.13 0.08 0.05 0.49 3.64 -0.50 -0.13 116.57 119.07 2dll h LYS 79 Ca -0.10 -0.00 -0.00 0.00 -1.27 0.00 0.00 60.65 59.27 2dll h LYS 79 Cb 0.76 -0.02 0.00 0.00 -0.41 0.00 0.00 32.23 32.56 2dll h LYS 79 CO 0.16 0.05 -0.03 1.15 -2.27 0.00 0.00 179.45 178.52 2dll h THR 80 N 0.08 1.19 -0.85 1.00 2.02 -1.39 -3.07 112.91 111.89 2dll h THR 80 Ca 0.72 -1.61 0.32 0.00 0.77 0.00 0.00 66.41 66.60 2dll h THR 80 Cb 1.70 2.12 -0.11 0.00 -1.74 0.00 0.00 68.15 70.12 2dll h THR 80 CO -0.78 0.36 0.51 0.54 0.37 0.00 0.00 175.52 176.52 2dll n ARG 81 N -4.77 -0.03 -0.02 6.66 5.12 0.65 -0.70 116.66 123.57 2dll n ARG 81 Ca -0.08 0.93 -0.00 0.00 -1.93 0.00 0.00 57.85 56.77 2dll n ARG 81 Cb 0.31 -1.75 -0.00 0.00 -1.16 0.00 0.00 32.46 29.86 2dll n ARG 81 CO 0.00 0.00 0.00 1.25 -1.93 0.00 0.00 177.63 176.95 2dll h LEU 82 N 0.00 -0.01 -0.86 0.55 5.85 -1.53 -3.06 115.31 116.25 2dll h LEU 82 Ca 0.61 0.00 0.32 0.00 0.84 0.00 0.00 57.88 59.65 2dll h LEU 82 Cb 1.81 0.00 -0.11 0.00 0.37 0.00 0.00 40.66 42.73 2dll h LEU 82 CO -0.43 0.23 0.52 -2.11 -0.34 0.00 0.00 178.44 176.31 2dll n ARG 83 N -3.32 -0.03 -0.03 1.25 1.85 0.13 0.19 116.66 116.69 2dll n ARG 83 Ca -0.00 0.94 -0.13 0.00 -1.00 0.00 0.00 57.85 57.65 2dll n ARG 83 Cb 0.00 -1.77 -0.11 0.00 -1.05 0.00 0.00 32.46 29.54 2dll n ARG 83 CO 0.00 0.00 0.00 0.00 -0.01 0.00 0.00 177.63 177.62 2dll h ALA 85 N 0.41 -0.04 -0.63 0.00 0.00 0.22 -1.31 119.26 117.90 2dll h ALA 85 Ca -0.00 0.03 0.06 0.00 0.00 0.00 0.00 54.91 55.00 2dll h ALA 85 Cb 0.60 0.18 -0.08 0.00 0.00 0.00 0.00 17.79 18.48 2dll h ALA 85 CO 0.00 -0.56 -0.44 1.25 0.00 0.00 0.00 179.25 179.50 2dll h LEU 86 N -0.13 -1.58 -0.79 0.00 5.85 -1.14 0.33 115.31 117.86 2dll h LEU 86 Ca 0.06 0.23 0.04 0.00 0.84 0.00 0.00 57.88 59.05 2dll h LEU 86 Cb 0.20 0.68 -0.05 0.00 0.37 0.00 0.00 40.66 41.87 2dll h LEU 86 CO -0.14 -0.21 0.49 -1.13 -0.34 0.00 0.00 178.44 177.12 2dll h ASN 87 N -0.08 0.80 -1.00 1.25 -0.73 -1.55 -1.94 115.58 112.33 2dll h ASN 87 Ca 0.10 0.00 0.11 0.00 1.87 0.00 0.00 56.30 58.39 2dll h ASN 87 Cb 0.35 -0.17 -0.08 0.00 0.27 0.00 0.00 38.32 38.69 2dll h ASN 87 CO -0.64 0.54 0.63 0.11 -0.37 0.00 0.00 177.43 177.70 2dll h LYS 88 N 0.94 1.00 -6.26 6.67 1.79 0.44 -3.42 116.57 117.73 2dll h LYS 88 Ca 0.33 -0.06 -0.66 0.00 -2.18 0.00 0.00 60.65 58.08 2dll h LYS 88 Cb 0.07 -0.23 0.03 0.00 -1.58 0.00 0.00 32.23 30.52 2dll h LYS 88 CO -0.13 0.66 0.92 0.45 -1.08 0.00 0.00 179.45 180.27 2dll n SER 89 N -4.60 2.86 0.08 0.86 2.88 0.89 -4.85 113.62 111.73 2dll n SER 89 Ca 0.18 1.04 -0.01 0.00 -1.33 0.00 0.00 58.87 58.75 2dll n SER 89 Cb 0.32 -1.28 -0.05 0.00 -0.75 0.00 0.00 64.21 62.45 2dll n SER 89 CO 0.00 0.00 0.00 -0.55 -1.23 0.00 0.00 175.04 173.26 2dll h ASN 90 N 7.60 0.00 -0.06 -3.46 -1.07 -1.86 -3.24 115.58 113.48 2dll h ASN 90 Ca -0.47 0.00 0.00 0.00 0.07 0.00 0.00 56.30 55.90 2dll h ASN 90 Cb 1.29 0.00 0.00 0.00 -2.07 0.00 0.00 38.32 37.54 2dll h ASN 90 CO 0.93 0.66 0.00 0.47 0.07 0.00 0.00 177.43 179.56 2dll n ASP 91 N -3.14 1.11 -4.30 6.14 8.00 -1.26 -4.78 116.55 118.32 2dll n ASP 91 Ca -0.03 -2.06 -0.29 0.00 0.71 0.00 0.00 54.79 53.12 2dll n ASP 91 Cb 0.83 -0.36 -0.15 0.00 -0.02 0.00 0.00 41.12 41.42 2dll n ASP 91 CO 0.00 0.00 0.00 -0.36 -0.39 0.00 0.00 177.20 176.45 2dll s PHE 92 N -1.41 2.15 0.05 1.24 0.40 -1.23 0.21 117.98 119.39 2dll s PHE 92 Ca 0.05 -0.40 0.04 0.00 -0.60 0.00 0.00 56.93 56.02 2dll s PHE 92 Cb 0.04 -1.33 -0.04 0.00 0.51 0.00 0.00 43.02 42.20 2dll s PHE 92 CO 0.02 0.05 -0.04 -2.00 0.70 0.00 0.00 175.22 173.95 2dll s GLU 93 N -0.93 2.50 -0.49 0.44 2.12 0.12 -4.82 118.70 117.65 2dll s GLU 93 Ca 0.10 -0.80 -0.23 0.00 0.36 0.00 0.00 54.97 54.39 2dll s GLU 93 Cb -0.09 -2.50 0.03 0.00 0.26 0.00 0.00 34.13 31.83 2dll s GLU 93 CO 0.01 0.57 0.84 -2.00 -0.54 0.00 0.00 175.26 174.13 2dll s GLU 94 N -1.87 3.38 -0.16 4.30 2.12 -1.26 -2.16 118.70 123.05 2dll s GLU 94 Ca 0.21 -0.18 0.13 0.00 0.36 0.00 0.00 54.97 55.49 2dll s GLU 94 Cb -0.11 -3.98 0.64 0.00 0.26 0.00 0.00 34.13 30.94 2dll s GLU 94 CO 0.12 -1.25 1.50 1.28 -0.54 0.00 0.00 175.26 176.38 2dll n LEU 95 N 6.96 4.54 -0.24 2.70 4.77 -1.05 -4.56 117.00 130.12 2dll n LEU 95 Ca 0.02 -2.30 0.28 0.00 -0.03 0.00 0.00 56.01 53.97 2dll n LEU 95 Cb 0.48 -0.60 0.43 0.00 -2.33 0.00 0.00 43.42 41.39 2dll n LEU 95 CO 0.61 0.61 1.15 0.55 -1.33 0.00 0.00 177.39 178.97 2dll n VAL 96 N 0.66 0.00 -0.26 4.08 3.14 -1.25 0.96 118.33 125.66 2dll n VAL 96 Ca 0.22 1.15 0.03 0.00 -2.96 0.00 0.00 64.34 62.78 2dll n VAL 96 Cb 0.92 -2.04 0.16 0.00 -1.06 0.00 0.00 33.84 31.82 2dll n VAL 96 CO 0.00 0.00 0.00 -0.33 -6.46 0.00 0.00 176.83 170.04 2dll h GLU 97 N 0.00 0.59 0.00 1.45 5.08 -1.92 -2.06 114.58 117.73 2dll h GLU 97 Ca 0.49 -0.04 -0.06 0.00 -1.00 0.00 0.00 59.36 58.75 2dll h GLU 97 Cb 2.72 -0.13 -0.01 0.00 0.50 0.00 0.00 28.75 31.82 2dll h GLU 97 CO -0.01 0.39 -1.34 0.54 -1.00 0.00 0.00 179.01 177.59 2dll n ARG 98 N -4.86 0.62 -1.63 2.33 1.74 0.27 -4.94 116.66 110.19 2dll n ARG 98 Ca 0.12 0.09 -0.47 0.00 -0.77 0.00 0.00 57.85 56.83 2dll n ARG 98 Cb 0.31 -1.76 -0.03 0.00 -1.02 0.00 0.00 32.46 29.96 2dll n ARG 98 CO 0.00 0.00 0.00 -1.13 -1.52 0.00 0.00 177.63 174.98 2dll n SER 99 N -2.67 2.15 -3.94 0.55 3.41 -0.78 -4.90 113.62 107.44 2dll n SER 99 Ca -0.05 1.14 -0.31 0.00 -0.26 0.00 0.00 58.87 59.40 2dll n SER 99 Cb 0.66 -1.33 -0.15 0.00 -0.26 0.00 0.00 64.21 63.12 2dll n SER 99 CO 0.00 0.00 0.00 -1.10 -0.16 0.00 0.00 175.04 173.78 2dll s GLN 100 N -0.36 1.40 -0.05 4.33 -1.52 -1.03 -4.93 119.66 117.50 2dll s GLN 100 Ca 0.71 -1.41 0.09 0.00 -1.95 0.00 0.00 55.36 52.80 2dll s GLN 100 Cb -0.74 -2.73 0.24 0.00 -0.22 0.00 0.00 33.01 29.56 2dll s GLN 100 CO 0.50 -0.83 1.18 1.28 -0.25 0.00 0.00 175.29 177.18 2dll n LEU 101 N 4.52 2.67 -0.24 2.90 4.77 -1.26 -1.02 117.00 129.34 2dll n LEU 101 Ca -0.03 -2.36 0.07 0.00 -0.03 0.00 0.00 56.01 53.66 2dll n LEU 101 Cb 0.43 -0.24 0.13 0.00 -2.33 0.00 0.00 43.42 41.41 2dll n LEU 101 CO 0.18 0.64 0.58 0.47 -1.33 0.00 0.00 177.39 177.93 2dll n ASP 102 N -0.34 2.58 -4.72 -1.43 8.00 -1.26 -4.77 116.55 114.61 2dll n ASP 102 Ca 0.10 -2.73 -0.30 0.00 0.71 0.00 0.00 54.79 52.57 2dll n ASP 102 Cb 0.48 -0.33 -0.04 0.00 -0.02 0.00 0.00 41.12 41.21 2dll n ASP 102 CO 0.00 0.00 0.00 2.30 -0.39 0.00 0.00 177.20 179.11 2dll n ILE 103 N -0.90 0.00 -0.37 0.53 -0.00 -1.26 -5.04 119.36 112.32 2dll n ILE 103 Ca 0.13 -2.29 -0.10 0.00 -0.00 0.00 0.00 62.75 60.48 2dll n ILE 103 Cb 0.57 0.26 -0.08 0.00 -0.00 0.00 0.00 39.64 40.39 2dll n ILE 103 CO 0.00 0.00 0.00 -1.28 -0.00 0.00 0.00 176.55 175.27 2dll h SER 104 N 0.98 -2.04 -3.65 7.28 0.87 -1.96 -3.31 113.55 111.72 2dll h SER 104 Ca -0.39 0.31 -0.69 0.00 -1.23 0.00 0.00 61.79 59.80 2dll h SER 104 Cb 1.27 0.90 -0.34 0.00 -0.44 0.00 0.00 62.40 63.79 2dll h SER 104 CO 0.63 -0.26 -0.64 -1.81 -0.53 0.00 0.00 176.83 174.22 2dll s ASP 105 N -5.41 5.05 0.58 6.23 1.01 -1.26 -5.10 116.67 117.76 2dll s ASP 105 Ca -0.13 -1.61 -0.18 0.00 0.71 0.00 0.00 52.55 51.35 2dll s ASP 105 Cb 0.12 -1.76 -0.04 0.00 1.01 0.00 0.00 42.92 42.25 2dll s ASP 105 CO 0.63 -0.38 1.12 -2.16 0.21 0.00 0.00 175.17 174.59 2dll s PRO 106 N 1.20 3.18 -0.07 8.23 0.04 -1.25 -4.85 135.00 141.48 2dll s PRO 106 Ca 0.01 1.54 -0.30 0.00 0.04 0.00 0.00 61.00 62.30 2dll s PRO 106 Cb -0.21 -1.99 0.11 0.00 0.04 0.00 0.00 34.50 32.46 2dll s PRO 106 CO -0.02 -0.98 0.94 1.52 0.04 0.00 0.00 177.00 178.49 2dll s TYR 107 N -1.95 -0.35 -0.15 0.56 1.13 -0.19 -1.88 117.35 114.52 2dll s TYR 107 Ca 0.71 0.36 0.01 0.00 -1.41 0.00 0.00 57.07 56.73 2dll s TYR 107 Cb -0.23 0.51 0.00 0.00 -1.10 0.00 0.00 41.96 41.14 2dll s TYR 107 CO 0.32 -0.46 -0.17 0.15 -2.51 0.00 0.00 175.55 172.87 2dll s LYS 108 N -2.41 3.16 0.05 -3.49 1.02 0.15 -2.47 119.74 115.74 2dll s LYS 108 Ca 0.03 -0.78 -0.11 0.00 0.02 0.00 0.00 55.97 55.13 2dll s LYS 108 Cb -0.01 -2.57 -0.06 0.00 -0.52 0.00 0.00 37.83 34.67 2dll s LYS 108 CO -0.05 0.00 0.40 0.08 -0.92 0.00 0.00 175.35 174.86 2dll s VAL 109 N 0.83 5.09 0.06 3.17 1.01 -1.26 -1.42 120.40 127.87 2dll s VAL 109 Ca -0.06 0.56 -0.05 0.00 0.00 0.00 0.00 61.98 62.43 2dll s VAL 109 Cb -0.15 -3.66 -0.02 0.00 0.00 0.00 0.00 36.38 32.55 2dll s VAL 109 CO -0.01 0.38 0.08 -0.31 0.00 0.00 0.00 175.10 175.24 2dll s TYR 110 N -1.30 0.29 -0.11 5.22 1.51 -1.01 -2.52 117.35 119.44 2dll s TYR 110 Ca 0.30 -0.71 0.02 0.00 -1.01 0.00 0.00 57.07 55.67 2dll s TYR 110 Cb -0.15 -0.20 0.01 0.00 -0.11 0.00 0.00 41.96 41.52 2dll s TYR 110 CO 0.16 -0.42 -0.17 0.50 -1.11 0.00 0.00 175.55 174.51 2dll s ARG 111 N -3.41 2.38 -0.60 -0.62 3.52 -0.92 -2.81 118.95 116.49 2dll s ARG 111 Ca 0.02 -0.63 -0.27 0.00 -0.13 0.00 0.00 55.73 54.72 2dll s ARG 111 Cb 0.04 -1.97 -0.00 0.00 -1.56 0.00 0.00 34.95 31.46 2dll s ARG 111 CO -0.08 -0.02 1.63 0.42 -0.81 0.00 0.00 175.30 176.44 2dll s ILE 112 N 0.86 3.54 -0.09 4.11 1.01 -0.88 0.14 121.20 129.90 2dll s ILE 112 Ca -0.09 0.38 -0.30 0.00 0.00 0.00 0.00 60.65 60.65 2dll s ILE 112 Cb -0.15 -4.23 -0.02 0.00 0.01 0.00 0.00 42.46 38.07 2dll s ILE 112 CO 0.00 -1.12 1.05 -0.69 0.00 0.00 0.00 174.94 174.18 2dll s VAL 113 N 7.51 4.65 1.23 2.92 1.01 0.57 -4.95 120.40 133.33 2dll s VAL 113 Ca 0.58 1.93 -0.20 0.00 0.00 0.00 0.00 61.98 64.29 2dll s VAL 113 Cb -0.12 -4.24 0.30 0.00 0.00 0.00 0.00 36.38 32.32 2dll s VAL 113 CO 0.22 0.01 1.11 -2.16 0.00 0.00 0.00 175.10 174.28 2dll s PRO 114 N 2.01 -1.45 -0.25 2.72 0.04 -1.26 -4.51 135.00 132.29 2dll s PRO 114 Ca 0.50 -0.15 -0.16 0.00 0.04 0.00 0.00 61.00 61.23 2dll s PRO 114 Cb -0.20 -1.58 -0.13 0.00 0.04 0.00 0.00 34.50 32.63 2dll s PRO 114 CO 0.19 -3.85 -0.23 0.39 0.04 0.00 0.00 177.00 173.54 2dll n GLU 115 N -4.84 0.58 -1.87 4.56 1.02 -1.26 -4.95 120.64 113.87 2dll n GLU 115 Ca 0.14 0.33 -0.39 0.00 -0.02 0.00 0.00 57.16 57.22 2dll n GLU 115 Cb 0.60 -1.55 0.02 0.00 -0.02 0.00 0.00 31.44 30.49 2dll n GLU 115 CO 0.00 0.00 0.00 -1.54 1.18 0.00 0.00 177.13 176.77 2dll s SER 116 N -7.21 5.82 0.18 1.62 1.04 -1.26 -4.76 113.70 109.13 2dll s SER 116 Ca -0.36 2.79 0.00 0.00 0.48 0.00 0.00 55.95 58.86 2dll s SER 116 Cb 0.12 -2.64 0.00 0.00 0.10 0.00 0.00 66.02 63.60 2dll s SER 116 CO 0.50 -1.20 0.00 0.61 0.98 0.00 0.00 173.24 174.13 2dll n GLY 117 N 0.63 -3.14 3.74 7.32 0.00 -1.26 -4.89 105.19 107.58 2dll n GLY 117 Ca 0.06 -1.18 -0.41 0.00 0.00 0.00 0.00 46.02 44.49 2dll n GLY 117 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 2dll s PRO 118 N -4.31 4.40 0.60 1.61 0.04 -1.26 -5.00 135.00 131.07 2dll s PRO 118 Ca 0.00 2.05 -0.18 0.00 0.04 0.00 0.00 61.00 62.91 2dll s PRO 118 Cb 0.00 -3.19 -0.03 0.00 0.04 0.00 0.00 34.50 31.32 2dll s PRO 118 CO 0.00 -0.23 1.14 0.45 0.04 0.00 0.00 177.00 178.40 2dll s SER 119 N 0.27 5.37 0.25 6.66 0.15 -1.26 -5.00 113.70 120.14 2dll s SER 119 Ca 0.56 2.16 -0.29 0.00 0.70 0.00 0.00 55.95 59.07 2dll s SER 119 Cb -0.36 -2.57 -0.09 0.00 -1.71 0.00 0.00 66.02 61.28 2dll s SER 119 CO 0.39 -1.46 0.94 -0.44 1.20 0.00 0.00 173.24 173.87 2dll s SER 120 N -2.02 7.59 0.00 5.45 0.01 -1.26 -5.24 113.70 118.23 2dll s SER 120 Ca 0.72 1.92 0.00 0.00 1.31 0.00 0.00 55.95 59.90 2dll s SER 120 Cb -0.24 -2.60 0.00 0.00 0.21 0.00 0.00 66.02 63.39 2dll s SER 120 CO 0.33 0.12 0.00 0.61 0.41 0.00 0.00 173.24 174.71