#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 1.75 0.04 1.61 0.01 -1.26 -5.04 113.70 110.82 2dll s SER 2 Ca 0.00 -0.28 -0.25 0.00 1.31 0.00 0.00 55.95 56.73 2dll s SER 2 Cb 0.00 -0.78 -0.17 0.00 0.21 0.00 0.00 66.02 65.28 2dll s SER 2 CO 0.00 -0.01 1.50 0.28 0.41 0.00 0.00 173.24 175.42 2dll h SER 3 N 7.23 -0.19 -3.73 2.44 0.02 -2.06 -3.49 113.55 113.77 2dll h SER 3 Ca -0.31 -0.14 0.21 0.00 -0.84 0.00 0.00 61.79 60.70 2dll h SER 3 Cb 1.17 0.05 -0.10 0.00 0.14 0.00 0.00 62.40 63.67 2dll h SER 3 CO 0.46 0.03 -0.62 0.61 -1.14 0.00 0.00 176.83 176.18 2dll n GLY 4 N -0.68 -2.64 0.12 -3.77 0.00 -1.26 -4.60 105.19 92.37 2dll n GLY 4 Ca -0.09 -1.25 -0.12 0.00 0.00 0.00 0.00 46.02 44.57 2dll n GLY 4 CO 0.00 0.00 0.00 1.76 0.00 0.00 0.00 173.32 175.08 2dll h SER 5 N -0.82 0.31 -4.13 1.61 0.02 -2.05 -3.44 113.55 105.05 2dll h SER 5 Ca -0.08 -0.32 -0.51 0.00 -0.84 0.00 0.00 61.79 60.05 2dll h SER 5 Cb 0.80 -0.08 0.09 0.00 0.14 0.00 0.00 62.40 63.34 2dll h SER 5 CO 0.04 0.55 0.41 -0.55 -1.14 0.00 0.00 176.83 176.14 2dll s SER 6 N -5.83 5.42 0.56 3.07 0.15 -1.26 -5.05 113.70 110.75 2dll s SER 6 Ca -0.14 2.13 0.09 0.00 0.70 0.00 0.00 55.95 58.73 2dll s SER 6 Cb 0.06 -2.57 0.09 0.00 -1.71 0.00 0.00 66.02 61.89 2dll s SER 6 CO 0.73 -1.43 0.73 0.61 1.20 0.00 0.00 173.24 175.08 2dll n GLY 7 N -0.06 2.06 3.11 9.45 0.00 -1.26 -5.02 105.19 113.47 2dll n GLY 7 Ca 0.11 -2.23 -0.34 0.00 0.00 0.00 0.00 46.02 43.56 2dll n GLY 7 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 2dll s LYS 8 N -4.49 1.99 -0.12 1.61 2.20 -1.26 -4.96 119.74 114.71 2dll s LYS 8 Ca 0.55 -1.68 -0.23 0.00 -0.36 0.00 0.00 55.97 54.25 2dll s LYS 8 Cb -0.04 -3.37 -0.26 0.00 -1.51 0.00 0.00 37.83 32.64 2dll s LYS 8 CO 0.35 -0.91 0.64 1.25 -0.36 0.00 0.00 175.35 176.31 2dll h LEU 9 N 7.92 0.20 -0.78 5.43 5.85 -1.98 -2.85 115.31 129.11 2dll h LEU 9 Ca -0.13 -0.86 0.07 0.00 0.84 0.00 0.00 57.88 57.80 2dll h LEU 9 Cb 1.04 -0.06 -0.09 0.00 0.37 0.00 0.00 40.66 41.92 2dll h LEU 9 CO 0.61 1.34 -0.46 -1.14 -0.34 0.00 0.00 178.44 178.45 2dll n ARG 10 N -4.30 -0.34 0.06 1.25 0.63 -1.26 -0.19 116.66 112.51 2dll n ARG 10 Ca -0.19 1.37 -0.13 0.00 -0.92 0.00 0.00 57.85 57.99 2dll n ARG 10 Cb 0.70 -2.02 -0.09 0.00 0.45 0.00 0.00 32.46 31.50 2dll n ARG 10 CO 0.00 0.00 0.00 0.37 -2.51 0.00 0.00 177.63 175.49 2dll h GLN 11 N 0.00 -0.16 -0.95 -0.14 5.75 -2.00 -2.71 115.11 114.90 2dll h GLN 11 Ca 0.12 0.01 0.09 0.00 -0.15 0.00 0.00 58.65 58.72 2dll h GLN 11 Cb 0.32 0.04 -0.11 0.00 1.07 0.00 0.00 27.48 28.79 2dll h GLN 11 CO -0.73 0.22 -0.56 1.87 -2.65 0.00 0.00 178.83 176.98 2dll n TRP 12 N -4.98 -0.42 0.29 3.99 -0.00 -0.75 -0.20 117.44 115.38 2dll n TRP 12 Ca -0.09 1.19 -0.15 0.00 -0.00 0.00 0.00 57.50 58.45 2dll n TRP 12 Cb 0.24 -0.58 -0.08 0.00 -0.00 0.00 0.00 31.31 30.89 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 -1.10 -0.99 5.87 5.85 -0.65 -2.35 115.31 121.94 2dll h LEU 13 Ca 0.15 0.08 0.37 0.00 0.84 0.00 0.00 57.88 59.32 2dll h LEU 13 Cb 0.39 0.35 -0.17 0.00 0.37 0.00 0.00 40.66 41.59 2dll h LEU 13 CO -0.89 -0.58 0.46 0.40 -0.34 0.00 0.00 178.44 177.49 2dll h ILE 14 N -0.90 0.09 -0.71 4.05 2.04 -0.99 1.42 117.51 122.51 2dll h ILE 14 Ca -0.07 -0.03 -0.01 0.00 1.00 0.00 0.00 64.86 65.75 2dll h ILE 14 Cb 0.75 -0.01 -0.03 0.00 -0.74 0.00 0.00 36.82 36.79 2dll h ILE 14 CO 0.00 0.02 0.40 -0.78 0.00 0.00 0.00 178.15 177.79 2dll h ASP 15 N 0.09 0.87 -0.46 1.72 1.82 -0.05 -0.12 116.42 120.28 2dll h ASP 15 Ca 0.78 -0.06 -0.08 0.00 -0.39 0.00 0.00 57.03 57.27 2dll h ASP 15 Cb 1.93 -0.22 -0.02 0.00 0.68 0.00 0.00 39.33 41.70 2dll h ASP 15 CO -0.75 0.70 -0.03 1.56 -1.61 0.00 0.00 179.24 179.11 2dll h GLN 16 N 0.99 0.83 0.10 0.28 1.08 0.23 -1.87 115.11 116.75 2dll h GLN 16 Ca 0.25 -0.28 -0.00 0.00 -1.45 0.00 0.00 58.65 57.17 2dll h GLN 16 Cb 0.01 -0.07 0.00 0.00 -0.05 0.00 0.00 27.48 27.38 2dll h GLN 16 CO -0.04 0.90 -0.05 0.82 -0.95 0.00 0.00 178.83 179.51 2dll h ILE 17 N 0.67 1.11 -0.72 2.54 2.04 -0.97 -2.27 117.51 119.90 2dll h ILE 17 Ca 0.13 -0.83 0.10 0.00 1.00 0.00 0.00 64.86 65.26 2dll h ILE 17 Cb 0.55 1.63 -0.08 0.00 -0.74 0.00 0.00 36.82 38.18 2dll h ILE 17 CO 0.03 0.20 0.34 -0.78 0.00 0.00 0.00 178.15 177.94 2dll h ASP 18 N -0.52 0.42 -0.20 1.72 1.82 -1.05 -0.34 116.42 118.28 2dll h ASP 18 Ca -0.01 0.07 -0.05 0.00 -0.39 0.00 0.00 57.03 56.65 2dll h ASP 18 Cb 0.43 0.01 -0.02 0.00 0.68 0.00 0.00 39.33 40.43 2dll h ASP 18 CO 0.02 0.23 -0.02 0.77 -1.61 0.00 0.00 179.24 178.63 2dll h SER 19 N 0.57 0.45 -2.25 2.28 4.64 -1.32 -3.46 113.55 114.45 2dll h SER 19 Ca 0.37 -0.08 -0.34 0.00 -0.47 0.00 0.00 61.79 61.26 2dll h SER 19 Cb 0.43 -0.12 -0.03 0.00 -0.31 0.00 0.00 62.40 62.38 2dll h SER 19 CO -0.30 0.53 -0.42 0.61 -0.87 0.00 0.00 176.83 176.38 2dll n GLY 20 N -0.89 -0.14 0.22 -0.77 0.00 -0.14 -4.90 105.19 98.57 2dll n GLY 20 Ca 0.01 -0.18 -0.15 0.00 0.00 0.00 0.00 46.02 45.70 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 0.74 -6.38 1.61 1.57 -1.85 -3.44 116.57 108.82 2dll h LYS 21 Ca -0.40 -0.51 -0.55 0.00 -1.87 0.00 0.00 60.65 57.33 2dll h LYS 21 Cb 1.28 0.08 -0.04 0.00 0.08 0.00 0.00 32.23 33.63 2dll h LYS 21 CO 0.48 1.13 -0.01 0.71 -0.57 0.00 0.00 179.45 181.18 2dll s TYR 22 N -3.99 3.67 0.50 -1.35 1.51 -1.26 -5.06 117.35 111.37 2dll s TYR 22 Ca -0.11 1.22 -0.21 0.00 -1.01 0.00 0.00 57.07 56.95 2dll s TYR 22 Cb 0.08 -2.48 -0.07 0.00 -0.11 0.00 0.00 41.96 39.39 2dll s TYR 22 CO 0.87 0.44 1.15 -1.25 -1.11 0.00 0.00 175.55 175.64 2dll s PRO 23 N -1.76 3.55 0.00 -1.71 0.04 -1.26 -3.48 135.00 130.38 2dll s PRO 23 Ca 0.37 1.69 0.00 0.00 0.04 0.00 0.00 61.00 63.11 2dll s PRO 23 Cb -0.17 -2.20 0.00 0.00 0.04 0.00 0.00 34.50 32.18 2dll s PRO 23 CO 0.20 -0.71 0.00 0.41 0.04 0.00 0.00 177.00 176.94 2dll n GLY 24 N 0.30 1.57 3.56 0.56 0.00 -1.26 -4.70 105.19 105.23 2dll n GLY 24 Ca 0.10 -0.18 -0.39 0.00 0.00 0.00 0.00 46.02 45.54 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 3.36 -0.04 0.99 2.96 -1.23 -4.59 118.68 120.14 2dll s LEU 25 Ca 0.00 0.72 -0.12 0.00 -0.22 0.00 0.00 54.13 54.51 2dll s LEU 25 Cb 0.00 -2.77 0.02 0.00 0.50 0.00 0.00 46.19 43.94 2dll s LEU 25 CO 0.00 -2.31 0.27 0.68 -1.32 0.00 0.00 176.35 173.67 2dll s VAL 26 N 9.16 0.05 -0.29 1.68 -7.23 -1.22 -4.68 120.40 117.86 2dll s VAL 26 Ca 0.76 -0.40 -0.29 0.00 -1.81 0.00 0.00 61.98 60.25 2dll s VAL 26 Cb -0.16 -0.53 0.01 0.00 0.56 0.00 0.00 36.38 36.26 2dll s VAL 26 CO 0.25 -0.22 1.15 0.26 -0.31 0.00 0.00 175.10 176.23 2dll s TRP 27 N -0.97 3.01 0.55 2.82 0.52 -1.26 -2.16 118.94 121.45 2dll s TRP 27 Ca -0.10 1.11 0.22 0.00 0.02 0.00 0.00 56.10 57.35 2dll s TRP 27 Cb -0.05 -3.70 1.47 0.00 -1.15 0.00 0.00 33.47 30.03 2dll s TRP 27 CO 0.03 -1.08 2.14 0.93 0.02 0.00 0.00 176.95 178.98 2dll h GLU 28 N 8.37 0.00 -5.19 4.98 5.08 -1.21 -3.43 114.58 123.18 2dll h GLU 28 Ca -0.22 0.00 -0.66 0.00 -1.00 0.00 0.00 59.36 57.47 2dll h GLU 28 Cb 1.07 0.00 -0.13 0.00 0.50 0.00 0.00 28.75 30.19 2dll h GLU 28 CO 1.02 0.00 -0.52 0.54 -1.00 0.00 0.00 179.01 179.06 2dll s ASN 29 N -6.55 3.96 0.01 1.42 2.20 -1.24 -5.06 114.94 109.68 2dll s ASN 29 Ca -0.05 -1.65 0.09 0.00 -0.94 0.00 0.00 52.86 50.30 2dll s ASN 29 Cb 0.17 0.51 -0.23 0.00 -2.00 0.00 0.00 41.25 39.69 2dll s ASN 29 CO 0.64 -0.86 0.86 -0.33 -2.94 0.00 0.00 177.10 174.47 2dll h GLU 30 N 1.41 0.03 0.00 3.55 4.39 -1.94 -3.29 114.58 118.73 2dll h GLU 30 Ca -0.43 -0.05 0.00 0.00 0.34 0.00 0.00 59.36 59.22 2dll h GLU 30 Cb 1.31 0.02 0.00 0.00 -0.10 0.00 0.00 28.75 29.98 2dll h GLU 30 CO 0.72 0.73 0.00 -0.85 -1.16 0.00 0.00 179.01 178.45 2dll n GLU 31 N -3.19 0.15 -2.75 2.33 0.28 -1.26 -4.83 120.64 111.37 2dll n GLU 31 Ca -0.12 0.60 -0.16 0.00 -0.16 0.00 0.00 57.16 57.32 2dll n GLU 31 Cb 1.02 -1.95 0.02 0.00 1.43 0.00 0.00 31.44 31.96 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 -2.26 -3.28 -0.10 3.44 4.76 -1.24 -4.92 118.16 114.56 2dll n LYS 32 Ca -0.01 0.66 -0.21 0.00 -2.87 0.00 0.00 58.31 55.89 2dll n LYS 32 Cb 0.07 -4.99 -0.12 0.00 -1.84 0.00 0.00 35.03 28.15 2dll n LYS 32 CO 0.00 0.00 0.00 0.43 -1.37 0.00 0.00 177.40 176.46 2dll n SER 33 N -1.25 2.00 -4.52 4.39 7.64 -1.26 -4.96 113.62 115.67 2dll n SER 33 Ca -0.09 0.05 -0.33 0.00 1.01 0.00 0.00 58.87 59.51 2dll n SER 33 Cb 0.59 -0.61 -0.12 0.00 -1.01 0.00 0.00 64.21 63.06 2dll n SER 33 CO 0.00 0.00 0.00 -0.63 -3.01 0.00 0.00 175.04 171.40 2dll s ILE 34 N -2.52 3.25 0.29 0.44 1.09 -1.26 -2.88 121.20 119.61 2dll s ILE 34 Ca -0.32 -0.76 -0.04 0.00 -1.10 0.00 0.00 60.65 58.42 2dll s ILE 34 Cb 0.09 -2.33 -0.01 0.00 -1.06 0.00 0.00 42.46 39.16 2dll s ILE 34 CO 0.62 0.52 0.40 0.72 -0.10 0.00 0.00 174.94 177.10 2dll s PHE 35 N -0.83 0.94 -0.03 3.97 -0.71 -1.22 -0.66 117.98 119.44 2dll s PHE 35 Ca 0.13 -1.18 0.04 0.00 -1.04 0.00 0.00 56.93 54.88 2dll s PHE 35 Cb -0.11 -0.14 -0.01 0.00 -1.21 0.00 0.00 43.02 41.56 2dll s PHE 35 CO 0.03 -1.00 -0.16 -0.98 -1.34 0.00 0.00 175.22 171.77 2dll s ARG 36 N -3.52 1.52 -0.09 1.99 1.70 -0.92 -2.54 118.95 117.08 2dll s ARG 36 Ca 0.31 -0.56 0.03 0.00 -0.47 0.00 0.00 55.73 55.03 2dll s ARG 36 Cb 0.01 -1.38 -0.02 0.00 -0.57 0.00 0.00 34.95 33.00 2dll s ARG 36 CO 0.16 0.27 -0.17 -1.50 -1.08 0.00 0.00 175.30 172.97 2dll s ILE 37 N -0.09 2.70 -0.04 4.99 2.07 -0.89 -3.39 121.20 126.56 2dll s ILE 37 Ca -0.00 -0.82 -0.30 0.00 -1.41 0.00 0.00 60.65 58.12 2dll s ILE 37 Cb -0.09 -2.07 -0.05 0.00 0.13 0.00 0.00 42.46 40.37 2dll s ILE 37 CO 0.01 0.56 1.48 -2.16 -1.91 0.00 0.00 174.94 172.92 2dll s PRO 38 N -0.06 4.23 -0.17 3.50 0.04 -1.26 -0.02 135.00 141.27 2dll s PRO 38 Ca -0.04 2.02 0.16 0.00 0.04 0.00 0.00 61.00 63.17 2dll s PRO 38 Cb -0.14 -3.74 0.63 0.00 0.04 0.00 0.00 34.50 31.29 2dll s PRO 38 CO 0.04 -0.70 1.54 1.87 0.04 0.00 0.00 177.00 179.80 2dll n TRP 39 N 6.18 1.34 -1.41 0.56 -0.00 -0.85 -4.92 117.44 118.34 2dll n TRP 39 Ca 0.15 -0.75 -0.37 0.00 -0.00 0.00 0.00 57.50 56.53 2dll n TRP 39 Cb 0.43 -0.33 0.06 0.00 -0.00 0.00 0.00 31.31 31.47 2dll n TRP 39 CO 0.00 0.00 0.00 1.63 -0.00 0.00 0.00 177.69 179.32 2dll n LYS 40 N 0.24 0.50 -3.49 5.87 4.76 -1.26 -4.95 118.16 119.84 2dll n LYS 40 Ca 0.23 0.21 -0.41 0.00 -2.87 0.00 0.00 58.31 55.47 2dll n LYS 40 Cb 0.94 -1.90 -0.10 0.00 -1.84 0.00 0.00 35.03 32.12 2dll n LYS 40 CO 0.00 0.00 0.00 -1.58 -1.37 0.00 0.00 177.40 174.45 2dll s HIS 41 N -1.76 3.23 -0.31 2.13 5.65 -1.26 -5.03 115.29 117.94 2dll s HIS 41 Ca 0.70 -0.30 -0.28 0.00 0.25 0.00 0.00 55.06 55.42 2dll s HIS 41 Cb -0.39 -2.55 -0.04 0.00 -1.18 0.00 0.00 32.58 28.42 2dll s HIS 41 CO 0.54 -0.45 2.08 0.00 -0.65 0.00 0.00 174.74 176.26 2dll s ALA 42 N 1.76 2.61 0.00 1.58 0.00 -1.26 -4.65 121.76 121.80 2dll s ALA 42 Ca 0.07 0.44 0.00 0.00 0.00 0.00 0.00 51.96 52.47 2dll s ALA 42 Cb -0.18 -4.10 0.00 0.00 0.00 0.00 0.00 23.12 18.84 2dll s ALA 42 CO 0.11 -3.00 0.00 0.41 0.00 0.00 0.00 175.76 173.28 2dll n GLY 43 N 5.68 0.00 3.56 0.00 0.00 -1.26 -5.11 105.19 108.06 2dll n GLY 43 Ca 0.28 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 46.00 2dll n GLY 43 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2dll s LYS 44 N -1.77 -0.19 -0.21 1.61 3.01 -1.26 -4.99 119.74 115.94 2dll s LYS 44 Ca 0.00 1.16 0.04 0.00 -1.01 0.00 0.00 55.97 56.16 2dll s LYS 44 Cb 0.00 -1.62 -0.15 0.00 -1.01 0.00 0.00 37.83 35.05 2dll s LYS 44 CO 0.00 -3.33 -0.14 1.04 0.51 0.00 0.00 175.35 173.43 2dll n GLN 45 N -4.68 0.68 0.31 1.68 3.00 -1.26 -4.38 117.38 112.74 2dll n GLN 45 Ca 0.07 0.10 0.20 0.00 -0.01 0.00 0.00 57.00 57.36 2dll n GLN 45 Cb 0.53 -1.43 1.00 0.00 0.00 0.00 0.00 30.24 30.34 2dll n GLN 45 CO 0.00 0.00 0.00 0.22 0.00 0.00 0.00 177.06 177.28 2dll h ASP 46 N 0.00 0.00 -3.18 1.08 3.58 -2.07 -3.44 116.42 112.40 2dll h ASP 46 Ca -0.48 0.00 -0.40 0.00 0.42 0.00 0.00 57.03 56.58 2dll h ASP 46 Cb 1.81 0.00 0.21 0.00 1.72 0.00 0.00 39.33 43.07 2dll h ASP 46 CO -0.05 0.01 -0.04 -0.72 -2.88 0.00 0.00 179.24 175.55 2dll s TYR 47 N -3.99 -0.12 -0.30 0.28 1.13 -1.26 -4.97 117.35 108.12 2dll s TYR 47 Ca -0.03 0.63 -0.16 0.00 -1.41 0.00 0.00 57.07 56.10 2dll s TYR 47 Cb 0.12 -3.05 -0.02 0.00 -1.10 0.00 0.00 41.96 37.90 2dll s TYR 47 CO 0.47 -4.60 0.42 -0.80 -2.51 0.00 0.00 175.55 168.53 2dll s ASN 48 N -3.24 6.28 -0.14 -0.18 -0.87 -1.26 -4.96 114.94 110.56 2dll s ASN 48 Ca 0.69 0.16 -0.26 0.00 -1.57 0.00 0.00 52.86 51.88 2dll s ASN 48 Cb -0.14 -2.23 -0.23 0.00 -0.02 0.00 0.00 41.25 38.63 2dll s ASN 48 CO 0.58 -0.29 0.68 0.03 -2.57 0.00 0.00 177.10 175.53 2dll h ARG 49 N 8.27 0.00 -0.38 -0.60 3.08 -1.93 -2.94 114.38 119.88 2dll h ARG 49 Ca -0.30 0.00 -0.03 0.00 0.07 0.00 0.00 59.98 59.71 2dll h ARG 49 Cb 1.15 0.00 -0.02 0.00 0.08 0.00 0.00 29.97 31.18 2dll h ARG 49 CO 0.69 0.91 0.10 0.93 -1.07 0.00 0.00 179.97 181.52 2dll h GLU 50 N -1.00 0.60 -0.19 0.04 5.08 -1.93 0.11 114.58 117.30 2dll h GLU 50 Ca -0.01 -0.14 0.02 0.00 -1.00 0.00 0.00 59.36 58.23 2dll h GLU 50 Cb 0.92 -0.08 -0.02 0.00 0.50 0.00 0.00 28.75 30.07 2dll h GLU 50 CO -0.01 0.63 0.04 1.49 -1.00 0.00 0.00 179.01 180.16 2dll h GLU 51 N 0.46 0.12 -0.28 2.33 4.57 -1.98 1.42 114.58 121.21 2dll h GLU 51 Ca 0.12 -0.01 -0.05 0.00 -1.18 0.00 0.00 59.36 58.24 2dll h GLU 51 Cb 0.29 -0.03 -0.01 0.00 -0.16 0.00 0.00 28.75 28.85 2dll h GLU 51 CO -0.00 0.08 -0.02 -0.44 -1.18 0.00 0.00 179.01 177.45 2dll h ASP 52 N 0.12 0.50 -0.35 1.04 3.32 -1.43 -2.77 116.42 116.85 2dll h ASP 52 Ca 0.08 -0.32 0.00 0.00 0.02 0.00 0.00 57.03 56.81 2dll h ASP 52 Cb 0.07 -0.14 0.00 0.00 0.22 0.00 0.00 39.33 39.48 2dll h ASP 52 CO -0.10 0.71 0.00 0.00 -1.72 0.00 0.00 179.24 178.13 2dll n ALA 53 N -2.37 3.12 -0.01 3.45 0.00 0.38 -4.19 120.51 120.89 2dll n ALA 53 Ca -0.03 -1.02 -0.17 0.00 0.00 0.00 0.00 53.44 52.23 2dll n ALA 53 Cb 0.27 -1.05 -0.10 0.00 0.00 0.00 0.00 19.45 18.56 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 3.28 0.10 0.58 0.00 0.00 0.22 -2.65 119.26 120.79 2dll h ALA 54 Ca 0.00 -0.53 -0.03 0.00 0.00 0.00 0.00 54.91 54.35 2dll h ALA 54 Cb 1.18 0.02 0.01 0.00 0.00 0.00 0.00 17.79 19.00 2dll h ALA 54 CO 0.22 0.31 -0.28 1.25 0.00 0.00 0.00 179.25 180.75 2dll h LEU 55 N -0.11 -0.66 -0.36 0.00 5.85 -1.75 -2.97 115.31 115.30 2dll h LEU 55 Ca -0.06 0.02 0.07 0.00 0.84 0.00 0.00 57.88 58.76 2dll h LEU 55 Cb 1.21 0.17 -0.09 0.00 0.37 0.00 0.00 40.66 42.32 2dll h LEU 55 CO 0.10 -0.32 -0.34 -0.26 -0.34 0.00 0.00 178.44 177.28 2dll h PHE 56 N -1.09 -0.94 -0.81 1.25 0.04 -1.81 -1.90 116.94 111.69 2dll h PHE 56 Ca -0.08 0.06 0.11 0.00 2.80 0.00 0.00 57.97 60.86 2dll h PHE 56 Cb 0.60 0.47 -0.13 0.00 2.20 0.00 0.00 35.95 39.09 2dll h PHE 56 CO 0.02 -0.39 -0.45 0.87 -0.60 0.00 0.00 178.31 177.76 2dll h LYS 57 N -0.28 -0.10 -0.79 1.51 1.79 -1.55 0.23 116.57 117.38 2dll h LYS 57 Ca 0.16 0.01 0.18 0.00 -2.18 0.00 0.00 60.65 58.81 2dll h LYS 57 Cb 0.55 0.02 -0.14 0.00 -1.58 0.00 0.00 32.23 31.08 2dll h LYS 57 CO -0.52 -0.07 -0.06 0.00 -1.08 0.00 0.00 179.45 177.72 2dll h ALA 58 N 0.85 0.74 0.61 3.86 0.00 -1.17 -1.62 119.26 122.52 2dll h ALA 58 Ca 0.23 0.27 -0.03 0.00 0.00 0.00 0.00 54.91 55.38 2dll h ALA 58 Cb 0.54 0.50 0.01 0.00 0.00 0.00 0.00 17.79 18.84 2dll h ALA 58 CO -0.84 -0.43 -0.29 2.35 0.00 0.00 0.00 179.25 180.03 2dll h TRP 59 N 0.06 -0.76 -0.81 0.00 -0.00 -0.43 0.49 115.95 114.50 2dll h TRP 59 Ca 0.42 -0.02 0.12 0.00 -0.00 0.00 0.00 58.89 59.41 2dll h TRP 59 Cb 0.73 0.25 -0.13 0.00 -0.00 0.00 0.00 29.16 30.01 2dll h TRP 59 CO -0.50 -0.47 -0.33 0.00 -0.00 0.00 0.00 178.44 177.14 2dll n ALA 60 N -2.47 -0.13 -0.08 2.65 0.00 -0.40 0.60 120.51 120.69 2dll n ALA 60 Ca -0.10 0.80 -0.15 0.00 0.00 0.00 0.00 53.44 53.99 2dll n ALA 60 Cb 0.32 -0.34 -0.05 0.00 0.00 0.00 0.00 19.45 19.38 2dll n ALA 60 CO 0.00 0.00 0.00 -0.07 0.00 0.00 0.00 177.50 177.43 2dll h LEU 61 N 0.00 0.86 0.24 0.00 3.38 -1.31 0.91 115.31 119.39 2dll h LEU 61 Ca 0.27 -0.53 -0.01 0.00 0.09 0.00 0.00 57.88 57.70 2dll h LEU 61 Cb 0.47 -0.24 -0.01 0.00 0.09 0.00 0.00 40.66 40.97 2dll h LEU 61 CO -0.80 1.22 -0.19 0.15 0.09 0.00 0.00 178.44 178.90 2dll h PHE 62 N 0.52 -0.53 0.53 1.13 3.04 0.52 -3.34 116.94 118.81 2dll h PHE 62 Ca 0.02 0.00 -0.03 0.00 3.98 0.00 0.00 57.97 61.94 2dll h PHE 62 Cb 1.06 0.20 0.01 0.00 2.56 0.00 0.00 35.95 39.77 2dll h PHE 62 CO 0.08 -0.27 -0.25 -0.22 -2.02 0.00 0.00 178.31 175.63 2dll h LYS 63 N -0.42 -0.68 0.00 1.11 1.63 -0.29 -3.47 116.57 114.45 2dll h LYS 63 Ca -0.03 0.05 0.00 0.00 -0.85 0.00 0.00 60.65 59.82 2dll h LYS 63 Cb 0.35 0.15 0.00 0.00 -0.60 0.00 0.00 32.23 32.14 2dll h LYS 63 CO 0.00 -0.45 0.00 0.41 -3.45 0.00 0.00 179.45 175.96 2dll n GLY 64 N -0.19 0.63 2.69 5.01 0.00 0.31 -5.02 105.19 108.61 2dll n GLY 64 Ca -0.09 -1.80 -0.27 0.00 0.00 0.00 0.00 46.02 43.86 2dll n GLY 64 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 2dll s LYS 65 N 1.48 0.43 0.13 1.61 2.47 -1.23 -4.35 119.74 120.28 2dll s LYS 65 Ca 0.00 -0.31 0.04 0.00 -1.56 0.00 0.00 55.97 54.14 2dll s LYS 65 Cb 0.00 -2.00 -0.04 0.00 -1.46 0.00 0.00 37.83 34.33 2dll s LYS 65 CO 0.00 -0.66 -0.10 0.12 0.16 0.00 0.00 175.35 174.87 2dll s PHE 66 N 1.96 1.17 -0.09 4.03 2.19 -1.26 -5.00 117.98 120.97 2dll s PHE 66 Ca 0.00 -0.77 0.03 0.00 0.33 0.00 0.00 56.93 56.53 2dll s PHE 66 Cb -0.17 -0.61 0.01 0.00 -1.31 0.00 0.00 43.02 40.94 2dll s PHE 66 CO -0.09 0.03 -0.18 1.03 1.83 0.00 0.00 175.22 177.84 2dll s ARG 67 N -3.60 2.46 0.00 10.12 0.52 -1.26 -4.90 118.95 122.29 2dll s ARG 67 Ca 0.14 -0.67 0.08 0.00 -0.52 0.00 0.00 55.73 54.77 2dll s ARG 67 Cb 0.02 -1.94 -0.23 0.00 0.52 0.00 0.00 34.95 33.31 2dll s ARG 67 CO -0.00 0.07 0.83 1.05 0.02 0.00 0.00 175.30 177.27 2dll h GLU 68 N 6.97 0.04 0.05 3.54 4.11 -1.96 -2.46 114.58 124.88 2dll h GLU 68 Ca -0.26 -0.07 -0.34 0.00 0.07 0.00 0.00 59.36 58.76 2dll h GLU 68 Cb 1.21 0.03 -0.04 0.00 0.50 0.00 0.00 28.75 30.44 2dll h GLU 68 CO 0.48 0.73 -1.99 0.41 0.07 0.00 0.00 179.01 178.71 2dll n GLY 69 N 1.53 -0.74 0.10 1.06 0.00 -1.26 -4.53 105.19 101.35 2dll n GLY 69 Ca -0.13 -0.19 -0.19 0.00 0.00 0.00 0.00 46.02 45.51 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 0.03 1.22 -2.61 -0.61 5.03 -1.99 -3.47 117.51 115.11 2dll h ILE 70 Ca -0.40 -2.26 -0.53 0.00 -0.12 0.00 0.00 64.86 61.55 2dll h ILE 70 Cb 2.03 2.67 -0.02 0.00 -3.03 0.00 0.00 36.82 38.47 2dll h ILE 70 CO 0.06 0.45 -0.42 -1.81 -0.68 0.00 0.00 178.15 175.76 2dll s ASP 71 N -6.66 6.35 -0.00 1.72 1.01 -0.93 -5.05 116.67 113.11 2dll s ASP 71 Ca -0.25 0.24 -0.30 0.00 0.71 0.00 0.00 52.55 52.95 2dll s ASP 71 Cb 0.03 -1.94 -0.04 0.00 1.01 0.00 0.00 42.92 41.98 2dll s ASP 71 CO 0.64 0.00 1.16 -0.75 0.21 0.00 0.00 175.17 176.43 2dll s LYS 72 N -3.36 4.42 0.15 8.23 2.36 -1.26 -4.14 119.74 126.14 2dll s LYS 72 Ca 0.36 1.66 -0.31 0.00 -2.55 0.00 0.00 55.97 55.13 2dll s LYS 72 Cb -0.11 -3.45 -0.08 0.00 -1.05 0.00 0.00 37.83 33.14 2dll s LYS 72 CO 0.29 -0.30 1.34 -1.25 1.55 0.00 0.00 175.35 176.98 2dll s PRO 73 N 1.54 4.36 -0.28 4.03 0.04 -1.26 -5.01 135.00 138.41 2dll s PRO 73 Ca 0.56 2.04 -0.02 0.00 0.04 0.00 0.00 61.00 63.62 2dll s PRO 73 Cb -0.26 -3.23 0.09 0.00 0.04 0.00 0.00 34.50 31.14 2dll s PRO 73 CO 0.26 -0.34 0.10 -0.51 0.04 0.00 0.00 177.00 176.54 2dll s ASP 74 N 0.77 3.65 0.28 6.66 1.01 -1.26 -5.01 116.67 122.77 2dll s ASP 74 Ca 0.61 -1.37 0.02 0.00 0.71 0.00 0.00 52.55 52.52 2dll s ASP 74 Cb -0.36 -0.64 0.68 0.00 1.01 0.00 0.00 42.92 43.61 2dll s ASP 74 CO 0.34 -0.40 1.69 -0.65 0.21 0.00 0.00 175.17 176.35 2dll h PRO 75 N 8.22 0.36 -0.93 8.23 0.11 -2.00 -0.84 132.00 145.15 2dll h PRO 75 Ca -0.16 -0.02 0.23 0.00 0.11 0.00 0.00 66.00 66.16 2dll h PRO 75 Cb 1.03 -0.08 -0.13 0.00 0.11 0.00 0.00 31.00 31.94 2dll h PRO 75 CO 0.43 0.24 0.45 -1.35 -0.21 0.00 0.00 178.00 177.56 2dll h PRO 76 N 0.37 0.43 -0.08 1.05 0.11 -1.98 0.27 132.00 132.16 2dll h PRO 76 Ca 0.54 -0.03 -0.02 0.00 0.11 0.00 0.00 66.00 66.60 2dll h PRO 76 Cb 1.01 -0.10 -0.00 0.00 0.11 0.00 0.00 31.00 32.02 2dll h PRO 76 CO -0.53 0.28 -0.01 1.15 -0.21 0.00 0.00 178.00 178.68 2dll h THR 77 N 0.44 1.28 0.45 -1.15 2.02 -1.58 -1.22 112.91 113.16 2dll h THR 77 Ca 0.59 -0.90 -0.02 0.00 0.77 0.00 0.00 66.41 66.85 2dll h THR 77 Cb 1.12 1.72 0.00 0.00 -1.74 0.00 0.00 68.15 69.26 2dll h THR 77 CO -0.52 0.25 -0.22 -0.50 0.37 0.00 0.00 175.52 174.90 2dll h TRP 78 N -0.17 -0.56 0.31 3.16 6.55 -1.13 0.33 115.95 124.44 2dll h TRP 78 Ca 0.02 -0.01 0.00 0.00 0.95 0.00 0.00 58.89 59.85 2dll h TRP 78 Cb 0.40 0.19 -0.03 0.00 -0.86 0.00 0.00 29.16 28.85 2dll h TRP 78 CO 0.05 -0.30 -0.48 -0.22 -1.05 0.00 0.00 178.44 176.44 2dll h LYS 79 N -0.72 -0.82 -0.10 0.49 3.64 -0.60 -2.36 116.57 116.11 2dll h LYS 79 Ca -0.06 0.06 0.03 0.00 -1.27 0.00 0.00 60.65 59.40 2dll h LYS 79 Cb 0.52 0.19 -0.03 0.00 -0.41 0.00 0.00 32.23 32.50 2dll h LYS 79 CO 0.10 -0.54 -0.06 1.15 -2.27 0.00 0.00 179.45 177.83 2dll h THR 80 N -0.85 0.81 -0.93 1.00 2.02 -1.25 -0.28 112.91 113.43 2dll h THR 80 Ca -0.03 0.00 0.10 0.00 0.77 0.00 0.00 66.41 67.25 2dll h THR 80 Cb 0.79 0.81 -0.13 0.00 -1.74 0.00 0.00 68.15 67.88 2dll h THR 80 CO -0.16 0.00 -0.53 0.03 0.37 0.00 0.00 175.52 175.23 2dll h ARG 81 N -0.06 -0.04 -0.08 6.66 2.47 -0.10 -0.15 114.38 123.08 2dll h ARG 81 Ca 0.06 0.00 -0.01 0.00 -1.26 0.00 0.00 59.98 58.77 2dll h ARG 81 Cb 0.15 0.01 -0.00 0.00 -1.65 0.00 0.00 29.97 28.48 2dll h ARG 81 CO -0.14 -0.03 0.01 1.25 0.56 0.00 0.00 179.97 181.62 2dll h LEU 82 N -0.04 0.13 -0.98 3.04 5.85 -1.24 -2.95 115.31 119.11 2dll h LEU 82 Ca 0.20 -0.27 0.33 0.00 0.84 0.00 0.00 57.88 58.98 2dll h LEU 82 Cb 0.47 -0.03 -0.17 0.00 0.37 0.00 0.00 40.66 41.30 2dll h LEU 82 CO -0.91 0.37 0.35 -0.09 -0.34 0.00 0.00 178.44 177.82 2dll h ARG 83 N -0.11 0.08 -0.26 1.25 2.43 0.57 0.66 114.38 118.99 2dll h ARG 83 Ca 0.02 -0.00 -0.08 0.00 -0.81 0.00 0.00 59.98 59.11 2dll h ARG 83 Cb 0.29 -0.02 -0.01 0.00 -0.42 0.00 0.00 29.97 29.82 2dll h ARG 83 CO 0.00 0.05 -0.15 0.00 -1.51 0.00 0.00 179.97 178.36 2dll h ALA 85 N 0.72 -1.23 -0.80 0.00 0.00 0.38 0.69 119.26 119.03 2dll h ALA 85 Ca 0.06 -0.21 0.17 0.00 0.00 0.00 0.00 54.91 54.93 2dll h ALA 85 Cb 0.67 0.43 -0.15 0.00 0.00 0.00 0.00 17.79 18.74 2dll h ALA 85 CO 0.04 -1.18 -0.16 -0.11 0.00 0.00 0.00 179.25 177.85 2dll n LEU 86 N -4.70 -0.25 -0.07 0.00 7.94 -0.05 0.11 117.00 119.99 2dll n LEU 86 Ca -0.12 1.36 -0.13 0.00 -1.11 0.00 0.00 56.01 56.01 2dll n LEU 86 Cb 0.39 -0.43 -0.06 0.00 0.53 0.00 0.00 43.42 43.85 2dll n LEU 86 CO 0.28 -1.32 0.59 -1.13 -1.11 0.00 0.00 177.39 174.70 2dll h ASN 87 N 0.00 0.49 -0.75 1.96 -0.73 -1.51 -3.17 115.58 111.87 2dll h ASN 87 Ca 0.40 -0.48 0.12 0.00 1.87 0.00 0.00 56.30 58.21 2dll h ASN 87 Cb 0.66 -0.14 -0.08 0.00 0.27 0.00 0.00 38.32 39.03 2dll h ASN 87 CO -0.81 0.87 0.35 0.11 -0.37 0.00 0.00 177.43 177.59 2dll h LYS 88 N 0.12 0.53 -6.18 6.67 1.57 0.32 -3.41 116.57 116.19 2dll h LYS 88 Ca 0.03 -0.03 -0.65 0.00 -1.87 0.00 0.00 60.65 58.13 2dll h LYS 88 Cb 0.74 -0.12 0.01 0.00 0.08 0.00 0.00 32.23 32.94 2dll h LYS 88 CO 0.05 0.35 1.14 0.45 -0.57 0.00 0.00 179.45 180.86 2dll n SER 89 N -4.92 3.02 0.09 0.86 2.88 0.62 -4.84 113.62 111.32 2dll n SER 89 Ca 0.13 0.86 -0.02 0.00 -1.33 0.00 0.00 58.87 58.51 2dll n SER 89 Cb 0.36 -1.32 -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 9.68 0.00 0.00 -3.46 -1.07 -1.88 -3.18 115.58 115.66 2dll h ASN 90 Ca -0.44 0.00 0.00 0.00 0.07 0.00 0.00 56.30 55.93 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 0.96 0.73 0.00 0.47 0.07 0.00 0.00 177.43 179.67 2dll n ASP 91 N -3.23 0.00 -4.23 6.14 8.00 -1.26 -4.71 116.55 117.26 2dll n ASP 91 Ca -0.01 -1.63 -0.31 0.00 0.71 0.00 0.00 54.79 53.55 2dll n ASP 91 Cb 0.84 0.00 -0.17 0.00 -0.02 0.00 0.00 41.12 41.78 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 -2.00 2.34 -0.05 1.24 0.40 -1.20 0.17 117.98 118.87 2dll s PHE 92 Ca 0.07 -0.76 0.01 0.00 -0.60 0.00 0.00 56.93 55.65 2dll s PHE 92 Cb 0.03 -1.55 -0.03 0.00 0.51 0.00 0.00 43.02 41.98 2dll s PHE 92 CO 0.05 -0.26 -0.05 -2.00 0.70 0.00 0.00 175.22 173.66 2dll s GLU 93 N 0.00 2.73 -0.38 0.44 2.12 0.84 -4.86 118.70 119.59 2dll s GLU 93 Ca -0.07 -0.58 -0.19 0.00 0.36 0.00 0.00 54.97 54.49 2dll s GLU 93 Cb -0.14 -2.60 0.01 0.00 0.26 0.00 0.00 34.13 31.65 2dll s GLU 93 CO 0.05 0.65 0.54 -2.00 -0.54 0.00 0.00 175.26 173.96 2dll s GLU 94 N -1.02 3.47 -0.54 4.30 2.12 -1.26 -0.22 118.70 125.55 2dll s GLU 94 Ca 0.14 -0.29 -0.17 0.00 0.36 0.00 0.00 54.97 55.01 2dll s GLU 94 Cb -0.11 -3.86 0.10 0.00 0.26 0.00 0.00 34.13 30.51 2dll s GLU 94 CO 0.04 -0.76 0.56 -0.51 -0.54 0.00 0.00 175.26 174.04 2dll s LEU 95 N 2.47 5.63 -0.05 2.70 1.43 0.74 -4.89 118.68 126.71 2dll s LEU 95 Ca 0.19 -1.44 -0.00 0.00 -1.03 0.00 0.00 54.13 51.84 2dll s LEU 95 Cb -0.15 -2.27 -0.26 0.00 0.03 0.00 0.00 46.19 43.54 2dll s LEU 95 CO 0.15 -0.90 0.65 0.58 0.23 0.00 0.00 176.35 177.06 2dll h VAL 96 N 5.87 0.91 -0.97 -1.59 2.07 -1.94 -3.03 116.25 117.56 2dll h VAL 96 Ca -0.29 -2.63 0.18 0.00 0.82 0.00 0.00 66.70 64.78 2dll h VAL 96 Cb 1.10 2.59 -0.10 0.00 -1.52 0.00 0.00 31.29 33.36 2dll h VAL 96 CO 1.01 0.76 0.58 -0.33 0.02 0.00 0.00 177.57 179.61 2dll h GLU 97 N 0.05 0.73 0.00 1.57 5.08 -1.94 1.00 114.58 121.07 2dll h GLU 97 Ca -0.31 -0.04 0.00 0.00 -1.00 0.00 0.00 59.36 58.00 2dll h GLU 97 Cb 2.02 -0.16 0.00 0.00 0.50 0.00 0.00 28.75 31.11 2dll h GLU 97 CO 0.12 0.48 -0.84 0.00 -1.00 0.00 0.00 179.01 177.77 2dll h ARG 98 N 0.75 0.00 -6.95 2.33 3.08 -1.93 -3.47 114.38 108.18 2dll h ARG 98 Ca 0.55 0.00 -0.54 0.00 0.07 0.00 0.00 59.98 60.06 2dll h ARG 98 Cb 0.82 0.00 0.11 0.00 0.08 0.00 0.00 29.97 30.98 2dll h ARG 98 CO -0.37 0.00 0.75 -1.13 -1.07 0.00 0.00 179.97 178.15 2dll n SER 99 N -2.42 3.65 -3.76 7.04 3.41 0.34 -4.72 113.62 117.17 2dll n SER 99 Ca 0.01 1.19 -0.30 0.00 -0.26 0.00 0.00 58.87 59.52 2dll n SER 99 Cb 0.50 -1.62 -0.15 0.00 -0.26 0.00 0.00 64.21 62.68 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 -2.22 0.79 -0.07 4.33 -1.52 -0.30 -4.94 119.66 115.73 2dll s GLN 100 Ca 0.56 -1.00 0.10 0.00 -1.95 0.00 0.00 55.36 53.07 2dll s GLN 100 Cb -0.47 -2.08 0.22 0.00 -0.22 0.00 0.00 33.01 30.46 2dll s GLN 100 CO 0.62 -0.91 1.15 1.28 -0.25 0.00 0.00 175.29 177.17 2dll n LEU 101 N 4.85 2.51 -0.14 2.90 4.77 -1.26 0.29 117.00 130.92 2dll n LEU 101 Ca -0.04 -2.52 0.01 0.00 -0.03 0.00 0.00 56.01 53.44 2dll n LEU 101 Cb 0.43 -0.26 0.03 0.00 -2.33 0.00 0.00 43.42 41.30 2dll n LEU 101 CO 0.12 0.63 0.52 -0.67 -1.33 0.00 0.00 177.39 176.66 2dll n ASP 102 N -0.68 2.17 -4.81 -1.43 -0.08 -1.26 -4.80 116.55 105.66 2dll n ASP 102 Ca 0.10 -1.96 -0.22 0.00 -1.51 0.00 0.00 54.79 51.20 2dll n ASP 102 Cb 0.50 -0.05 -0.05 0.00 2.34 0.00 0.00 41.12 43.86 2dll n ASP 102 CO 0.00 0.00 0.00 0.27 0.12 0.00 0.00 177.20 177.59 2dll s ILE 103 N -0.97 2.92 0.15 5.18 -0.00 -1.26 -5.01 121.20 122.21 2dll s ILE 103 Ca 0.05 -1.50 -0.14 0.00 -0.00 0.00 0.00 60.65 59.06 2dll s ILE 103 Cb 0.03 -3.04 0.13 0.00 -0.00 0.00 0.00 42.46 39.58 2dll s ILE 103 CO 0.04 -0.09 1.08 -1.20 -0.00 0.00 0.00 174.94 174.76 2dll n SER 104 N -1.34 -0.50 -4.14 4.36 7.64 -1.26 -3.30 113.62 115.07 2dll n SER 104 Ca -0.00 1.21 -0.35 0.00 1.01 0.00 0.00 58.87 60.74 2dll n SER 104 Cb 0.62 -0.26 -0.13 0.00 -1.01 0.00 0.00 64.21 63.43 2dll n SER 104 CO 0.00 0.00 0.00 -1.81 -3.01 0.00 0.00 175.04 170.22 2dll s ASP 105 N -5.27 5.08 0.49 6.43 1.11 -1.26 -5.10 116.67 118.16 2dll s ASP 105 Ca -0.09 -1.68 -0.22 0.00 0.18 0.00 0.00 52.55 50.74 2dll s ASP 105 Cb 0.13 -1.77 -0.07 0.00 1.07 0.00 0.00 42.92 42.28 2dll s ASP 105 CO 0.48 -0.41 1.15 -2.16 1.18 0.00 0.00 175.17 175.42 2dll s PRO 106 N 1.19 3.61 -0.10 8.23 0.04 -1.21 -4.86 135.00 141.90 2dll s PRO 106 Ca 0.02 1.72 -0.30 0.00 0.04 0.00 0.00 61.00 62.48 2dll s PRO 106 Cb -0.21 -2.26 0.11 0.00 0.04 0.00 0.00 34.50 32.18 2dll s PRO 106 CO -0.03 -0.66 0.90 1.52 0.04 0.00 0.00 177.00 178.77 2dll s TYR 107 N -1.63 -0.44 -0.19 0.56 -0.85 0.15 -2.00 117.35 112.95 2dll s TYR 107 Ca 0.67 0.66 -0.03 0.00 -0.52 0.00 0.00 57.07 57.85 2dll s TYR 107 Cb -0.27 0.46 -0.01 0.00 0.38 0.00 0.00 41.96 42.52 2dll s TYR 107 CO 0.32 -0.45 -0.05 0.15 -1.52 0.00 0.00 175.55 174.00 2dll s LYS 108 N -1.55 3.45 0.26 -3.49 1.02 0.97 -1.15 119.74 119.25 2dll s LYS 108 Ca -0.03 -0.61 -0.19 0.00 0.02 0.00 0.00 55.97 55.17 2dll s LYS 108 Cb -0.00 -2.95 -0.09 0.00 -0.52 0.00 0.00 37.83 34.27 2dll s LYS 108 CO 0.01 -0.05 0.74 0.08 -0.92 0.00 0.00 175.35 175.22 2dll s VAL 109 N 1.09 4.58 0.17 3.17 1.01 -1.20 -2.08 120.40 127.13 2dll s VAL 109 Ca 0.01 1.23 -0.01 0.00 0.00 0.00 0.00 61.98 63.21 2dll s VAL 109 Cb -0.15 -3.79 -0.04 0.00 0.00 0.00 0.00 36.38 32.40 2dll s VAL 109 CO -0.00 0.09 0.09 -0.31 0.00 0.00 0.00 175.10 174.97 2dll s TYR 110 N -1.66 1.05 -0.07 5.22 1.51 -1.05 -0.19 117.35 122.16 2dll s TYR 110 Ca 0.47 -1.30 0.01 0.00 -1.01 0.00 0.00 57.07 55.23 2dll s TYR 110 Cb -0.15 -0.54 0.02 0.00 -0.11 0.00 0.00 41.96 41.18 2dll s TYR 110 CO 0.20 -0.57 -0.08 0.50 -1.11 0.00 0.00 175.55 174.49 2dll s ARG 111 N -4.10 1.30 -0.59 -0.62 3.52 0.69 -3.46 118.95 115.69 2dll s ARG 111 Ca 0.32 -0.24 -0.27 0.00 -0.13 0.00 0.00 55.73 55.41 2dll s ARG 111 Cb 0.07 -1.23 -0.00 0.00 -1.56 0.00 0.00 34.95 32.23 2dll s ARG 111 CO 0.08 -0.10 1.64 0.42 -0.81 0.00 0.00 175.30 176.53 2dll s ILE 112 N 1.07 3.55 -0.04 4.11 1.01 -1.14 -0.11 121.20 129.64 2dll s ILE 112 Ca -0.08 0.40 -0.30 0.00 0.00 0.00 0.00 60.65 60.67 2dll s ILE 112 Cb -0.14 -4.20 -0.03 0.00 0.01 0.00 0.00 42.46 38.10 2dll s ILE 112 CO -0.01 -1.07 1.08 -0.69 0.00 0.00 0.00 174.94 174.25 2dll s VAL 113 N 7.49 4.56 0.72 2.92 1.01 0.44 -4.96 120.40 132.58 2dll s VAL 113 Ca 0.59 1.84 -0.12 0.00 0.00 0.00 0.00 61.98 64.30 2dll s VAL 113 Cb -0.12 -4.18 0.18 0.00 0.00 0.00 0.00 36.38 32.25 2dll s VAL 113 CO 0.22 0.05 0.64 -0.81 0.00 0.00 0.00 175.10 175.20 2dll n PRO 114 N 4.66 -2.27 -4.28 2.72 -0.04 -1.26 -4.53 135.00 129.99 2dll n PRO 114 Ca 0.09 -1.02 -0.34 0.00 -0.04 0.00 0.00 63.50 62.19 2dll n PRO 114 Cb 0.48 -0.96 -0.09 0.00 -0.04 0.00 0.00 33.50 32.90 2dll n PRO 114 CO 0.00 0.00 0.00 -1.83 -0.04 0.00 0.00 175.50 173.63 2dll s GLU 115 N -4.44 3.00 -0.55 0.54 -1.05 -1.26 -4.90 118.70 110.04 2dll s GLU 115 Ca 0.41 -0.43 -0.26 0.00 -0.15 0.00 0.00 54.97 54.54 2dll s GLU 115 Cb -0.04 -2.81 0.03 0.00 -0.44 0.00 0.00 34.13 30.87 2dll s GLU 115 CO 0.32 0.69 1.06 -1.12 0.95 0.00 0.00 175.26 177.15 2dll s SER 116 N -1.12 6.42 0.03 0.83 0.01 -1.26 -5.02 113.70 113.59 2dll s SER 116 Ca 0.16 -0.05 0.02 0.00 1.31 0.00 0.00 55.95 57.39 2dll s SER 116 Cb -0.11 -2.49 -0.04 0.00 0.21 0.00 0.00 66.02 63.58 2dll s SER 116 CO 0.05 -1.31 0.04 -0.83 0.41 0.00 0.00 173.24 171.60 2dll s GLY 117 N 2.79 1.95 -0.04 3.44 0.00 -1.26 -5.08 107.32 109.12 2dll s GLY 117 Ca 0.38 -0.96 -0.30 0.00 0.00 0.00 0.00 44.72 43.83 2dll s GLY 117 CO 0.24 -0.87 1.48 2.56 0.00 0.00 0.00 173.10 176.51 2dll s PRO 118 N -1.86 4.23 0.50 2.90 0.04 -1.26 -5.01 135.00 134.54 2dll s PRO 118 Ca 0.23 2.02 -0.13 0.00 0.04 0.00 0.00 61.00 63.16 2dll s PRO 118 Cb -0.12 -3.74 -0.06 0.00 0.04 0.00 0.00 34.50 30.61 2dll s PRO 118 CO 0.14 -0.70 0.91 0.45 0.04 0.00 0.00 177.00 177.85 2dll s SER 119 N 2.42 6.49 -0.52 6.66 0.15 -1.26 -5.03 113.70 122.61 2dll s SER 119 Ca 0.66 1.36 -0.18 0.00 0.70 0.00 0.00 55.95 58.49 2dll s SER 119 Cb -0.31 -2.43 0.08 0.00 -1.71 0.00 0.00 66.02 61.65 2dll s SER 119 CO 0.26 -0.58 0.59 -0.44 1.20 0.00 0.00 173.24 174.26 2dll s SER 120 N -3.39 6.19 0.00 5.45 0.01 -1.26 -5.35 113.70 115.35 2dll s SER 120 Ca 0.55 -1.22 0.00 0.00 1.31 0.00 0.00 55.95 56.59 2dll s SER 120 Cb -0.10 -2.26 0.00 0.00 0.21 0.00 0.00 66.02 63.86 2dll s SER 120 CO 0.37 -0.89 0.00 0.61 0.41 0.00 0.00 173.24 173.73