#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 7.23 -0.01 1.61 0.15 -1.26 -4.99 113.70 116.43 2dll s SER 2 Ca 0.00 1.99 -0.22 0.00 0.70 0.00 0.00 55.95 58.43 2dll s SER 2 Cb 0.00 -2.60 -0.13 0.00 -1.71 0.00 0.00 66.02 61.59 2dll s SER 2 CO 0.00 -0.15 0.93 -1.28 1.20 0.00 0.00 173.24 173.94 2dll h SER 3 N 3.29 -0.53 -1.19 5.45 0.87 -2.12 -3.44 113.55 115.87 2dll h SER 3 Ca -0.47 -0.05 -0.07 0.00 -1.23 0.00 0.00 61.79 59.96 2dll h SER 3 Cb 1.20 0.14 -0.22 0.00 -0.44 0.00 0.00 62.40 63.08 2dll h SER 3 CO 0.65 -0.12 -0.46 -0.83 -0.53 0.00 0.00 176.83 175.54 2dll s GLY 4 N -2.76 -1.05 0.04 5.77 0.00 -1.26 -5.04 107.32 103.02 2dll s GLY 4 Ca -0.12 0.41 -0.28 0.00 0.00 0.00 0.00 44.72 44.74 2dll s GLY 4 CO 0.39 3.50 1.41 1.76 0.00 0.00 0.00 173.10 180.15 2dll h SER 5 N 7.54 -0.53 -5.93 1.64 0.02 -2.03 -3.47 113.55 110.78 2dll h SER 5 Ca 0.01 -0.06 -0.40 0.00 -0.84 0.00 0.00 61.79 60.50 2dll h SER 5 Cb 1.16 0.14 0.10 0.00 0.14 0.00 0.00 62.40 63.94 2dll h SER 5 CO 0.15 -0.25 -0.74 -1.20 -1.14 0.00 0.00 176.83 173.65 2dll n SER 6 N -5.29 -4.33 0.00 3.07 7.64 -1.26 -4.79 113.62 108.66 2dll n SER 6 Ca -0.11 -0.65 0.00 0.00 1.01 0.00 0.00 58.87 59.12 2dll n SER 6 Cb 0.30 -4.68 0.00 0.00 -1.01 0.00 0.00 64.21 58.82 2dll n SER 6 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 2dll n GLY 7 N -1.68 -1.36 3.81 0.23 0.00 -1.26 -5.04 105.19 99.89 2dll n GLY 7 Ca -0.10 0.52 -0.26 0.00 0.00 0.00 0.00 46.02 46.18 2dll n GLY 7 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 173.32 174.49 2dll n LYS 8 N -0.44 -5.50 -0.08 1.61 3.00 -1.26 -4.90 118.16 110.59 2dll n LYS 8 Ca 0.00 0.63 -0.23 0.00 -0.00 0.00 0.00 58.31 58.71 2dll n LYS 8 Cb 0.00 -5.41 -0.12 0.00 0.00 0.00 0.00 35.03 29.50 2dll n LYS 8 CO 0.00 0.00 0.00 -0.11 0.00 0.00 0.00 177.40 177.29 2dll n LEU 9 N -4.56 2.14 -0.15 3.14 7.94 -1.26 -3.34 117.00 120.92 2dll n LEU 9 Ca -0.09 0.33 -0.04 0.00 -1.11 0.00 0.00 56.01 55.09 2dll n LEU 9 Cb 0.59 -0.99 -0.04 0.00 0.53 0.00 0.00 43.42 43.51 2dll n LEU 9 CO 0.72 0.50 0.49 -0.09 -1.11 0.00 0.00 177.39 177.91 2dll h ARG 10 N -0.66 -0.02 0.42 1.96 2.43 -2.00 0.13 114.38 116.65 2dll h ARG 10 Ca -0.43 0.00 -0.02 0.00 -0.81 0.00 0.00 59.98 58.72 2dll h ARG 10 Cb 1.57 0.00 0.00 0.00 -0.42 0.00 0.00 29.97 31.13 2dll h ARG 10 CO -0.15 -0.01 -0.20 0.37 -1.51 0.00 0.00 179.97 178.47 2dll h GLN 11 N -0.02 -0.54 -0.73 0.20 5.75 -1.99 -2.65 115.11 115.12 2dll h GLN 11 Ca 0.06 0.04 0.07 0.00 -0.15 0.00 0.00 58.65 58.66 2dll h GLN 11 Cb 0.16 0.12 -0.09 0.00 1.07 0.00 0.00 27.48 28.75 2dll h GLN 11 CO -0.34 -0.28 -0.43 1.87 -2.65 0.00 0.00 178.83 177.00 2dll n TRP 12 N -5.26 -0.32 0.26 3.99 -0.00 -0.93 -0.47 117.44 114.70 2dll n TRP 12 Ca -0.11 0.92 -0.16 0.00 -0.00 0.00 0.00 57.50 58.15 2dll n TRP 12 Cb 0.28 -0.55 -0.09 0.00 -0.00 0.00 0.00 31.31 30.95 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 -1.27 -0.99 5.87 5.85 -0.77 -2.18 115.31 121.82 2dll h LEU 13 Ca 0.12 0.10 0.34 0.00 0.84 0.00 0.00 57.88 59.28 2dll h LEU 13 Cb 0.30 0.42 -0.18 0.00 0.37 0.00 0.00 40.66 41.58 2dll h LEU 13 CO -0.69 -0.60 0.32 0.40 -0.34 0.00 0.00 178.44 177.53 2dll h ILE 14 N -0.90 0.06 -0.93 4.05 2.04 -0.75 1.25 117.51 122.34 2dll h ILE 14 Ca -0.05 -0.02 -0.00 0.00 1.00 0.00 0.00 64.86 65.79 2dll h ILE 14 Cb 0.79 0.01 -0.05 0.00 -0.74 0.00 0.00 36.82 36.83 2dll h ILE 14 CO -0.07 0.01 0.58 -0.78 0.00 0.00 0.00 178.15 177.88 2dll h ASP 15 N 0.05 1.10 -0.63 1.72 1.82 -0.15 -0.98 116.42 119.34 2dll h ASP 15 Ca 0.72 -0.06 -0.07 0.00 -0.39 0.00 0.00 57.03 57.23 2dll h ASP 15 Cb 1.71 -0.28 -0.03 0.00 0.68 0.00 0.00 39.33 41.42 2dll h ASP 15 CO -0.80 0.83 0.14 1.56 -1.61 0.00 0.00 179.24 179.36 2dll h GLN 16 N 1.28 1.05 0.12 0.28 1.08 0.20 -2.51 115.11 116.60 2dll h GLN 16 Ca 0.34 -0.25 -0.01 0.00 -1.45 0.00 0.00 58.65 57.28 2dll h GLN 16 Cb -0.08 -0.14 0.00 0.00 -0.05 0.00 0.00 27.48 27.21 2dll h GLN 16 CO -0.07 0.94 -0.06 0.82 -0.95 0.00 0.00 178.83 179.51 2dll h ILE 17 N 0.99 1.06 -0.33 2.54 2.04 -0.80 -2.59 117.51 120.42 2dll h ILE 17 Ca 0.21 -0.83 0.07 0.00 1.00 0.00 0.00 64.86 65.30 2dll h ILE 17 Cb 0.38 1.57 -0.08 0.00 -0.74 0.00 0.00 36.82 37.95 2dll h ILE 17 CO 0.00 0.20 -0.31 -0.78 0.00 0.00 0.00 178.15 177.26 2dll h ASP 18 N -0.56 -1.01 -0.55 1.72 3.58 -1.16 0.10 116.42 118.54 2dll h ASP 18 Ca -0.02 0.17 0.08 0.00 0.42 0.00 0.00 57.03 57.69 2dll h ASP 18 Cb 0.45 0.47 -0.03 0.00 1.72 0.00 0.00 39.33 41.93 2dll h ASP 18 CO 0.03 -0.32 0.37 0.77 -2.88 0.00 0.00 179.24 177.21 2dll h SER 19 N -0.27 0.36 -2.47 2.28 4.64 -1.50 -3.46 113.55 113.14 2dll h SER 19 Ca 0.16 0.01 -0.36 0.00 -0.47 0.00 0.00 61.79 61.13 2dll h SER 19 Cb 0.52 -0.07 -0.02 0.00 -0.31 0.00 0.00 62.40 62.52 2dll h SER 19 CO -0.48 0.23 -0.45 0.61 -0.87 0.00 0.00 176.83 175.86 2dll n GLY 20 N -1.52 -0.28 0.21 -0.77 0.00 0.36 -4.90 105.19 98.30 2dll n GLY 20 Ca 0.08 -0.14 -0.15 0.00 0.00 0.00 0.00 46.02 45.81 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 0.70 -6.30 1.61 1.57 -1.84 -3.44 116.57 108.87 2dll h LYS 21 Ca -0.42 -0.57 -0.56 0.00 -1.87 0.00 0.00 60.65 57.22 2dll h LYS 21 Cb 1.31 0.12 -0.04 0.00 0.08 0.00 0.00 32.23 33.70 2dll h LYS 21 CO 0.50 1.19 -0.03 0.71 -0.57 0.00 0.00 179.45 181.24 2dll s TYR 22 N -3.72 3.73 0.55 -1.35 1.51 -1.26 -5.06 117.35 111.75 2dll s TYR 22 Ca -0.09 1.22 -0.19 0.00 -1.01 0.00 0.00 57.07 57.00 2dll s TYR 22 Cb 0.09 -2.47 -0.06 0.00 -0.11 0.00 0.00 41.96 39.41 2dll s TYR 22 CO 0.89 0.51 1.13 -1.25 -1.11 0.00 0.00 175.55 175.72 2dll s PRO 23 N -1.47 3.34 0.00 -1.71 0.04 -1.26 -3.27 135.00 130.66 2dll s PRO 23 Ca 0.33 1.61 0.00 0.00 0.04 0.00 0.00 61.00 62.98 2dll s PRO 23 Cb -0.18 -2.00 0.00 0.00 0.04 0.00 0.00 34.50 32.36 2dll s PRO 23 CO 0.19 -0.86 0.00 0.41 0.04 0.00 0.00 177.00 176.78 2dll n GLY 24 N 0.14 2.36 3.58 0.56 0.00 -1.26 -4.68 105.19 105.89 2dll n GLY 24 Ca 0.12 -0.01 -0.42 0.00 0.00 0.00 0.00 46.02 45.70 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 3.42 -0.12 0.99 2.96 -1.20 -4.42 118.68 120.30 2dll s LEU 25 Ca 0.00 0.22 -0.23 0.00 -0.22 0.00 0.00 54.13 53.90 2dll s LEU 25 Cb 0.00 -3.09 0.05 0.00 0.50 0.00 0.00 46.19 43.65 2dll s LEU 25 CO 0.00 -1.63 0.56 0.68 -1.32 0.00 0.00 176.35 174.64 2dll s VAL 26 N 5.66 0.01 -0.10 1.68 -7.23 -1.24 -4.72 120.40 114.46 2dll s VAL 26 Ca 0.49 -0.10 -0.30 0.00 -1.81 0.00 0.00 61.98 60.27 2dll s VAL 26 Cb -0.10 -0.83 -0.02 0.00 0.56 0.00 0.00 36.38 35.99 2dll s VAL 26 CO 0.25 -0.05 1.13 0.26 -0.31 0.00 0.00 175.10 176.38 2dll s TRP 27 N -0.52 3.27 0.16 2.82 0.52 -1.26 -2.34 118.94 121.59 2dll s TRP 27 Ca -0.06 1.34 0.19 0.00 0.02 0.00 0.00 56.10 57.58 2dll s TRP 27 Cb -0.03 -3.34 0.70 0.00 -1.15 0.00 0.00 33.47 29.64 2dll s TRP 27 CO 0.05 -0.93 1.74 0.93 0.02 0.00 0.00 176.95 178.75 2dll h GLU 28 N 7.43 0.00 -5.28 4.98 5.08 -0.32 -3.46 114.58 123.01 2dll h GLU 28 Ca -0.31 0.00 -0.63 0.00 -1.00 0.00 0.00 59.36 57.42 2dll h GLU 28 Cb 1.14 0.00 -0.13 0.00 0.50 0.00 0.00 28.75 30.26 2dll h GLU 28 CO 0.89 0.36 -0.54 0.54 -1.00 0.00 0.00 179.01 179.26 2dll s ASN 29 N -6.41 3.70 0.05 1.42 2.20 -1.23 -5.06 114.94 109.61 2dll s ASN 29 Ca 0.00 -1.57 -0.02 0.00 -0.94 0.00 0.00 52.86 50.34 2dll s ASN 29 Cb 0.11 0.25 -0.27 0.00 -2.00 0.00 0.00 41.25 39.34 2dll s ASN 29 CO 0.68 -0.75 1.03 -0.33 -2.94 0.00 0.00 177.10 174.80 2dll h GLU 30 N 1.59 0.22 0.00 3.55 5.08 -1.93 -3.25 114.58 119.84 2dll h GLU 30 Ca -0.42 -0.38 0.00 0.00 -1.00 0.00 0.00 59.36 57.56 2dll h GLU 30 Cb 1.28 0.14 0.00 0.00 0.50 0.00 0.00 28.75 30.68 2dll h GLU 30 CO 0.73 1.13 0.15 -0.85 -1.00 0.00 0.00 179.01 179.17 2dll n GLU 31 N -3.46 0.09 -2.56 2.33 0.28 -1.26 -4.78 120.64 111.28 2dll n GLU 31 Ca -0.11 0.55 -0.18 0.00 -0.16 0.00 0.00 57.16 57.26 2dll n GLU 31 Cb 1.02 -1.94 0.01 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 -1.97 -2.50 -0.09 3.44 4.76 -1.23 -4.89 118.16 115.69 2dll n LYS 32 Ca -0.01 0.83 -0.11 0.00 -2.87 0.00 0.00 58.31 56.15 2dll n LYS 32 Cb 0.17 -5.35 -0.09 0.00 -1.84 0.00 0.00 35.03 27.92 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 -1.58 2.26 -4.68 4.39 2.88 -1.26 -4.94 113.62 110.69 2dll n SER 33 Ca -0.17 -0.07 -0.35 0.00 -1.33 0.00 0.00 58.87 56.95 2dll n SER 33 Cb 0.64 0.00 -0.09 0.00 -0.75 0.00 0.00 64.21 64.01 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 -2.37 5.05 0.16 2.46 1.01 -1.26 -0.60 121.20 125.65 2dll s ILE 34 Ca -0.20 0.06 -0.09 0.00 0.00 0.00 0.00 60.65 60.42 2dll s ILE 34 Cb 0.06 -3.28 -0.01 0.00 0.01 0.00 0.00 42.46 39.24 2dll s ILE 34 CO 0.47 0.46 0.27 0.72 0.00 0.00 0.00 174.94 176.86 2dll s PHE 35 N 0.33 0.41 -0.10 3.97 -0.12 -0.82 0.47 117.98 122.12 2dll s PHE 35 Ca 0.05 -0.78 0.02 0.00 -0.05 0.00 0.00 56.93 56.18 2dll s PHE 35 Cb -0.12 -0.08 -0.02 0.00 -0.63 0.00 0.00 43.02 42.18 2dll s PHE 35 CO -0.01 -0.70 -0.16 -0.98 -0.05 0.00 0.00 175.22 173.32 2dll s ARG 36 N -3.97 3.00 -0.13 1.99 1.70 -0.99 -1.53 118.95 119.02 2dll s ARG 36 Ca 0.17 -0.73 -0.01 0.00 -0.47 0.00 0.00 55.73 54.69 2dll s ARG 36 Cb 0.04 -2.47 -0.02 0.00 -0.57 0.00 0.00 34.95 31.93 2dll s ARG 36 CO -0.00 0.35 -0.12 -1.50 -1.08 0.00 0.00 175.30 172.95 2dll s ILE 37 N -0.02 3.19 -0.31 4.99 2.07 -0.07 -3.69 121.20 127.36 2dll s ILE 37 Ca -0.04 -0.61 -0.29 0.00 -1.41 0.00 0.00 60.65 58.29 2dll s ILE 37 Cb -0.14 -2.35 -0.01 0.00 0.13 0.00 0.00 42.46 40.09 2dll s ILE 37 CO 0.04 0.52 1.67 -2.16 -1.91 0.00 0.00 174.94 173.10 2dll s PRO 38 N 0.33 3.52 -0.09 3.50 0.04 -1.26 0.45 135.00 141.49 2dll s PRO 38 Ca -0.10 1.40 0.09 0.00 0.04 0.00 0.00 61.00 62.44 2dll s PRO 38 Cb -0.16 -4.12 0.43 0.00 0.04 0.00 0.00 34.50 30.69 2dll s PRO 38 CO 0.05 -1.63 1.23 1.87 0.04 0.00 0.00 177.00 178.56 2dll n TRP 39 N 9.46 0.95 -1.68 0.56 -0.00 -0.64 -4.94 117.44 121.16 2dll n TRP 39 Ca 0.20 -0.36 -0.47 0.00 -0.00 0.00 0.00 57.50 56.88 2dll n TRP 39 Cb 0.46 -0.22 -0.04 0.00 -0.00 0.00 0.00 31.31 31.52 2dll n TRP 39 CO 0.00 0.00 0.00 1.17 -0.00 0.00 0.00 177.69 178.86 2dll n LYS 40 N 0.47 2.30 -2.57 5.87 4.81 -1.25 -4.95 118.16 122.85 2dll n LYS 40 Ca 0.15 0.84 -0.26 0.00 -0.87 0.00 0.00 58.31 58.17 2dll n LYS 40 Cb 0.63 -2.70 0.02 0.00 0.02 0.00 0.00 35.03 33.00 2dll n LYS 40 CO 0.00 0.00 0.00 -3.38 1.17 0.00 0.00 177.40 175.19 2dll s HIS 41 N 3.78 3.35 -0.14 5.64 -3.43 -1.26 -5.01 115.29 118.22 2dll s HIS 41 Ca 0.90 0.63 -0.29 0.00 -0.80 0.00 0.00 55.06 55.50 2dll s HIS 41 Cb -0.65 -2.53 -0.04 0.00 -1.43 0.00 0.00 32.58 27.93 2dll s HIS 41 CO 0.48 -0.57 1.66 0.00 -2.00 0.00 0.00 174.74 174.31 2dll s ALA 42 N -2.84 3.41 0.00 -1.38 0.00 -1.26 -4.78 121.76 114.91 2dll s ALA 42 Ca 0.51 0.71 0.00 0.00 0.00 0.00 0.00 51.96 53.18 2dll s ALA 42 Cb -0.10 -3.81 0.00 0.00 0.00 0.00 0.00 23.12 19.21 2dll s ALA 42 CO 0.44 -1.72 0.00 0.41 0.00 0.00 0.00 175.76 174.88 2dll n GLY 43 N 4.46 -0.12 3.55 0.00 0.00 -1.26 -5.13 105.19 106.69 2dll n GLY 43 Ca 0.19 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.92 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 -0.34 -0.82 -0.03 1.61 1.02 -1.26 -5.01 119.74 114.90 2dll s LYS 44 Ca 0.00 0.44 0.01 0.00 0.02 0.00 0.00 55.97 56.43 2dll s LYS 44 Cb 0.00 -1.60 -0.02 0.00 -0.52 0.00 0.00 37.83 35.69 2dll s LYS 44 CO 0.00 -3.56 -0.02 0.94 -0.92 0.00 0.00 175.35 171.79 2dll n GLN 45 N -4.74 0.84 0.13 1.68 7.27 -1.26 -4.66 117.38 116.64 2dll n GLN 45 Ca 0.07 0.01 0.06 0.00 0.07 0.00 0.00 57.00 57.21 2dll n GLN 45 Cb 0.57 -1.06 0.54 0.00 2.41 0.00 0.00 30.24 32.70 2dll n GLN 45 CO 0.00 0.00 0.00 0.22 0.07 0.00 0.00 177.06 177.35 2dll h ASP 46 N 0.00 0.22 -3.07 1.69 1.82 -2.08 -3.43 116.42 111.57 2dll h ASP 46 Ca -0.07 -0.01 -0.39 0.00 -0.39 0.00 0.00 57.03 56.18 2dll h ASP 46 Cb 1.12 -0.05 0.22 0.00 0.68 0.00 0.00 39.33 41.29 2dll h ASP 46 CO -0.01 0.16 -0.10 -0.72 -1.61 0.00 0.00 179.24 176.96 2dll s TYR 47 N -5.27 -0.44 -0.18 0.28 1.13 -1.26 -4.96 117.35 106.64 2dll s TYR 47 Ca -0.07 0.62 -0.19 0.00 -1.41 0.00 0.00 57.07 56.03 2dll s TYR 47 Cb 0.17 -2.93 -0.03 0.00 -1.10 0.00 0.00 41.96 38.07 2dll s TYR 47 CO 0.70 -4.89 0.55 0.54 -2.51 0.00 0.00 175.55 169.94 2dll s ASN 48 N -3.11 6.63 -0.26 -0.18 4.22 -1.26 -4.96 114.94 116.03 2dll s ASN 48 Ca 0.69 0.76 -0.11 0.00 -2.14 0.00 0.00 52.86 52.05 2dll s ASN 48 Cb -0.14 -2.31 -0.15 0.00 1.28 0.00 0.00 41.25 39.93 2dll s ASN 48 CO 0.58 -0.17 -0.21 0.54 -2.04 0.00 0.00 177.10 175.81 2dll n ARG 49 N 4.62 0.61 -0.35 3.55 1.74 -1.26 -3.15 116.66 122.43 2dll n ARG 49 Ca -0.04 0.28 -0.03 0.00 -0.77 0.00 0.00 57.85 57.29 2dll n ARG 49 Cb 0.50 -1.55 0.10 0.00 -1.02 0.00 0.00 32.46 30.49 2dll n ARG 49 CO 0.00 0.00 0.00 1.05 -1.52 0.00 0.00 177.63 177.16 2dll h GLU 50 N -0.73 1.23 0.03 5.56 4.11 -1.92 0.60 114.58 123.46 2dll h GLU 50 Ca -0.61 -0.08 -0.09 0.00 0.07 0.00 0.00 59.36 58.65 2dll h GLU 50 Cb 1.66 -0.28 0.01 0.00 0.50 0.00 0.00 28.75 30.64 2dll h GLU 50 CO -0.30 0.82 -0.38 1.49 0.07 0.00 0.00 179.01 180.71 2dll h GLU 51 N 1.26 0.20 -0.08 1.06 4.57 -1.98 0.17 114.58 119.79 2dll h GLU 51 Ca 0.34 -0.26 -0.05 0.00 -1.18 0.00 0.00 59.36 58.21 2dll h GLU 51 Cb -0.14 0.08 -0.01 0.00 -0.16 0.00 0.00 28.75 28.52 2dll h GLU 51 CO -0.07 1.03 -0.17 0.22 -1.18 0.00 0.00 179.01 178.84 2dll h ASP 52 N -0.51 0.11 -0.31 1.04 3.58 -1.48 -2.37 116.42 116.48 2dll h ASP 52 Ca -0.06 -0.02 0.00 0.00 0.42 0.00 0.00 57.03 57.37 2dll h ASP 52 Cb 1.19 -0.03 0.00 0.00 1.72 0.00 0.00 39.33 42.22 2dll h ASP 52 CO 0.07 0.30 0.00 0.00 -2.88 0.00 0.00 179.24 176.73 2dll n ALA 53 N -2.49 2.85 -0.05 -0.78 0.00 0.21 -4.61 120.51 115.63 2dll n ALA 53 Ca -0.02 -1.99 -0.13 0.00 0.00 0.00 0.00 53.44 51.31 2dll n ALA 53 Cb 0.27 -0.68 -0.07 0.00 0.00 0.00 0.00 19.45 18.97 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 2.06 0.21 0.74 0.00 0.00 -0.10 -1.43 119.26 120.74 2dll h ALA 54 Ca 0.00 -0.28 -0.03 0.00 0.00 0.00 0.00 54.91 54.59 2dll h ALA 54 Cb 1.30 -0.05 0.00 0.00 0.00 0.00 0.00 17.79 19.05 2dll h ALA 54 CO 0.18 0.03 -0.41 1.25 0.00 0.00 0.00 179.25 180.31 2dll h LEU 55 N -0.02 -1.00 -0.41 0.00 5.85 -1.82 0.19 115.31 118.10 2dll h LEU 55 Ca 0.03 0.05 0.08 0.00 0.84 0.00 0.00 57.88 58.88 2dll h LEU 55 Cb 0.58 0.28 -0.07 0.00 0.37 0.00 0.00 40.66 41.82 2dll h LEU 55 CO 0.03 -0.65 -0.04 -0.26 -0.34 0.00 0.00 178.44 177.18 2dll h PHE 56 N -1.06 -0.10 -0.34 1.25 0.04 -1.87 -1.86 116.94 113.01 2dll h PHE 56 Ca -0.10 0.03 0.04 0.00 2.80 0.00 0.00 57.97 60.75 2dll h PHE 56 Cb 0.83 0.11 -0.04 0.00 2.20 0.00 0.00 35.95 39.04 2dll h PHE 56 CO -0.02 -0.12 0.10 -0.22 -0.60 0.00 0.00 178.31 177.45 2dll h LYS 57 N 0.06 0.23 -0.68 1.51 3.64 -1.18 -2.33 116.57 117.82 2dll h LYS 57 Ca 0.20 -0.01 0.14 0.00 -1.27 0.00 0.00 60.65 59.71 2dll h LYS 57 Cb 0.29 -0.05 -0.11 0.00 -0.41 0.00 0.00 32.23 31.96 2dll h LYS 57 CO -0.37 0.15 0.10 0.00 -2.27 0.00 0.00 179.45 177.06 2dll h ALA 58 N 1.23 0.79 -0.15 5.00 0.00 0.20 -1.28 119.26 125.06 2dll h ALA 58 Ca 0.16 0.18 0.05 0.00 0.00 0.00 0.00 54.91 55.29 2dll h ALA 58 Cb 0.15 0.27 -0.06 0.00 0.00 0.00 0.00 17.79 18.15 2dll h ALA 58 CO -0.18 -0.36 -0.21 2.35 0.00 0.00 0.00 179.25 180.85 2dll h TRP 59 N 0.20 -0.54 0.30 0.00 2.91 -0.96 0.42 115.95 118.29 2dll h TRP 59 Ca 0.37 0.03 -0.01 0.00 1.13 0.00 0.00 58.89 60.41 2dll h TRP 59 Cb 0.62 0.26 -0.02 0.00 -0.51 0.00 0.00 29.16 29.51 2dll h TRP 59 CO -0.31 -0.29 -0.37 0.00 -1.03 0.00 0.00 178.44 176.44 2dll h ALA 60 N 0.76 -1.01 0.30 2.65 0.00 -1.11 -2.11 119.26 118.73 2dll h ALA 60 Ca 0.11 -0.13 -0.01 0.00 0.00 0.00 0.00 54.91 54.88 2dll h ALA 60 Cb 0.41 0.65 -0.02 0.00 0.00 0.00 0.00 17.79 18.83 2dll h ALA 60 CO -0.30 -1.05 -0.33 -0.07 0.00 0.00 0.00 179.25 177.51 2dll h LEU 61 N -0.69 -0.91 -0.19 0.00 3.38 -1.21 0.07 115.31 115.75 2dll h LEU 61 Ca -0.04 0.08 0.02 0.00 0.09 0.00 0.00 57.88 58.03 2dll h LEU 61 Cb 0.62 0.31 -0.02 0.00 0.09 0.00 0.00 40.66 41.65 2dll h LEU 61 CO -0.08 -0.43 -0.11 0.33 0.09 0.00 0.00 178.44 178.24 2dll n PHE 62 N -4.37 -0.08 -0.35 1.13 7.35 0.15 0.18 117.46 121.47 2dll n PHE 62 Ca -0.08 0.24 0.15 0.00 -0.76 0.00 0.00 57.45 57.01 2dll n PHE 62 Cb 0.30 -0.40 0.36 0.00 0.35 0.00 0.00 39.48 40.08 2dll n PHE 62 CO 0.00 0.00 0.00 0.87 -0.76 0.00 0.00 176.76 176.87 2dll h LYS 63 N 0.00 0.65 0.00 -4.13 1.79 -1.33 -3.45 116.57 110.10 2dll h LYS 63 Ca 0.03 -0.04 0.00 0.00 -2.18 0.00 0.00 60.65 58.46 2dll h LYS 63 Cb 0.08 -0.15 0.00 0.00 -1.58 0.00 0.00 32.23 30.58 2dll h LYS 63 CO -0.18 0.43 0.00 0.41 -1.08 0.00 0.00 179.45 179.03 2dll n GLY 64 N -1.33 1.29 0.12 3.86 0.00 0.48 -5.05 105.19 104.56 2dll n GLY 64 Ca 0.25 0.00 -0.15 0.00 0.00 0.00 0.00 46.02 46.12 2dll n GLY 64 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 2dll n LYS 65 N -0.12 0.68 -4.44 1.61 4.76 -0.08 -4.99 118.16 115.57 2dll n LYS 65 Ca 0.00 0.12 -0.24 0.00 -2.87 0.00 0.00 58.31 55.32 2dll n LYS 65 Cb 0.00 -1.57 -0.11 0.00 -1.84 0.00 0.00 35.03 31.52 2dll n LYS 65 CO 0.00 0.00 0.00 0.12 -1.37 0.00 0.00 177.40 176.15 2dll s PHE 66 N -2.52 2.24 -0.24 2.13 5.36 -1.24 -4.97 117.98 118.73 2dll s PHE 66 Ca -0.22 -0.36 -0.03 0.00 -0.96 0.00 0.00 56.93 55.36 2dll s PHE 66 Cb 0.08 -1.01 0.10 0.00 -0.34 0.00 0.00 43.02 41.84 2dll s PHE 66 CO 0.72 0.62 0.19 0.50 -1.46 0.00 0.00 175.22 175.79 2dll s ARG 67 N -3.26 0.20 0.48 10.12 3.52 -1.26 -4.39 118.95 124.35 2dll s ARG 67 Ca 0.26 -0.16 -0.23 0.00 -0.13 0.00 0.00 55.73 55.47 2dll s ARG 67 Cb -0.06 -1.18 -0.08 0.00 -1.56 0.00 0.00 34.95 32.07 2dll s ARG 67 CO 0.13 -0.86 1.16 -1.91 -0.81 0.00 0.00 175.30 173.01 2dll n GLU 68 N 5.29 1.56 0.00 5.12 2.13 -1.26 -1.75 120.64 131.72 2dll n GLU 68 Ca -0.05 0.56 0.00 0.00 0.66 0.00 0.00 57.16 58.33 2dll n GLU 68 Cb 0.46 -2.29 0.00 0.00 0.27 0.00 0.00 31.44 29.88 2dll n GLU 68 CO 0.00 0.00 0.00 0.41 -0.41 0.00 0.00 177.13 177.13 2dll n GLY 69 N 0.98 2.03 0.05 8.31 0.00 -1.26 -4.69 105.19 110.61 2dll n GLY 69 Ca 0.09 -0.38 -0.02 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 -1.21 -0.61 2.04 -1.92 -3.48 117.51 112.32 2dll h ILE 70 Ca 0.00 -0.91 -0.46 0.00 1.00 0.00 0.00 64.86 64.49 2dll h ILE 70 Cb 0.00 0.00 0.01 0.00 -0.74 0.00 0.00 36.82 36.09 2dll h ILE 70 CO 0.00 0.00 -0.24 -0.62 0.00 0.00 0.00 178.15 177.29 2dll s ASP 71 N -5.39 5.34 -0.15 1.72 2.15 -0.72 -5.09 116.67 114.53 2dll s ASP 71 Ca -0.05 -0.65 -0.17 0.00 0.43 0.00 0.00 52.55 52.11 2dll s ASP 71 Cb 0.01 -0.31 -0.04 0.00 -0.30 0.00 0.00 42.92 42.28 2dll s ASP 71 CO 0.08 -0.93 0.43 -0.75 -0.17 0.00 0.00 175.17 173.82 2dll s LYS 72 N -4.40 4.28 0.08 4.34 2.36 -1.26 -4.66 119.74 120.48 2dll s LYS 72 Ca 0.54 0.33 -0.31 0.00 -2.55 0.00 0.00 55.97 53.99 2dll s LYS 72 Cb -0.07 -3.46 -0.07 0.00 -1.05 0.00 0.00 37.83 33.18 2dll s LYS 72 CO 0.33 0.12 1.39 -1.25 1.55 0.00 0.00 175.35 177.48 2dll s PRO 73 N 0.79 4.32 -0.28 4.03 0.04 -1.26 -5.01 135.00 137.63 2dll s PRO 73 Ca 0.23 2.03 -0.02 0.00 0.04 0.00 0.00 61.00 63.28 2dll s PRO 73 Cb -0.15 -3.35 0.09 0.00 0.04 0.00 0.00 34.50 31.14 2dll s PRO 73 CO 0.08 -0.47 0.09 0.34 0.04 0.00 0.00 177.00 177.09 2dll s ASP 74 N 1.34 3.72 0.28 6.66 2.15 -1.26 -5.01 116.67 124.56 2dll s ASP 74 Ca 0.64 -1.41 0.02 0.00 0.43 0.00 0.00 52.55 52.24 2dll s ASP 74 Cb -0.35 -0.72 0.68 0.00 -0.30 0.00 0.00 42.92 42.23 2dll s ASP 74 CO 0.29 -0.40 1.69 -0.65 -0.17 0.00 0.00 175.17 175.94 2dll h PRO 75 N 8.18 0.36 0.00 4.34 0.11 -1.98 0.84 132.00 143.85 2dll h PRO 75 Ca -0.15 -0.02 0.00 0.00 0.11 0.00 0.00 66.00 65.93 2dll h PRO 75 Cb 1.03 -0.08 0.00 0.00 0.11 0.00 0.00 31.00 32.06 2dll h PRO 75 CO 0.44 0.24 0.57 -1.35 -0.21 0.00 0.00 178.00 177.68 2dll h PRO 76 N 0.37 0.00 0.05 1.05 0.11 -1.99 0.14 132.00 131.72 2dll h PRO 76 Ca 0.54 0.00 -0.34 0.00 0.11 0.00 0.00 66.00 66.31 2dll h PRO 76 Cb 1.00 0.00 -0.04 0.00 0.11 0.00 0.00 31.00 32.08 2dll h PRO 76 CO -0.53 0.00 -1.89 2.41 -0.21 0.00 0.00 178.00 177.77 2dll n THR 77 N -2.57 1.62 0.33 -1.15 -1.04 0.29 -3.75 114.28 108.01 2dll n THR 77 Ca -0.01 -0.39 -0.15 0.00 -2.04 0.00 0.00 64.05 61.46 2dll n THR 77 Cb 0.59 -1.82 -0.08 0.00 -1.82 0.00 0.00 70.33 67.21 2dll n THR 77 CO 0.00 0.00 0.00 -0.50 -0.64 0.00 0.00 175.07 173.93 2dll h TRP 78 N -0.46 -0.80 -0.39 -1.42 6.55 -0.80 -1.16 115.95 117.47 2dll h TRP 78 Ca -0.46 -0.02 0.08 0.00 0.95 0.00 0.00 58.89 59.44 2dll h TRP 78 Cb 1.71 0.26 -0.09 0.00 -0.86 0.00 0.00 29.16 30.18 2dll h TRP 78 CO 0.05 -0.46 -0.30 -0.22 -1.05 0.00 0.00 178.44 176.47 2dll h LYS 79 N -1.12 -0.23 0.48 0.49 3.64 -1.34 -1.41 116.57 117.09 2dll h LYS 79 Ca -0.09 0.02 -0.02 0.00 -1.27 0.00 0.00 60.65 59.29 2dll h LYS 79 Cb 0.70 0.05 -0.02 0.00 -0.41 0.00 0.00 32.23 32.56 2dll h LYS 79 CO 0.14 -0.15 -0.43 1.15 -2.27 0.00 0.00 179.45 177.89 2dll h THR 80 N -0.24 0.00 -0.25 1.00 2.02 -1.65 0.32 112.91 114.13 2dll h THR 80 Ca 0.18 0.00 0.02 0.00 0.77 0.00 0.00 66.41 67.38 2dll h THR 80 Cb 0.52 0.00 -0.03 0.00 -1.74 0.00 0.00 68.15 66.90 2dll h THR 80 CO -0.52 0.00 -0.17 0.03 0.37 0.00 0.00 175.52 175.23 2dll h ARG 81 N -0.90 -0.03 -0.71 6.66 3.08 -0.86 0.46 114.38 122.09 2dll h ARG 81 Ca -0.06 0.00 0.11 0.00 0.07 0.00 0.00 59.98 60.10 2dll h ARG 81 Cb 0.77 0.01 -0.08 0.00 0.08 0.00 0.00 29.97 30.75 2dll h ARG 81 CO -0.02 -0.02 0.32 1.25 -1.07 0.00 0.00 179.97 180.43 2dll h LEU 82 N -0.03 0.38 -1.01 3.04 5.85 -1.25 -0.53 115.31 121.76 2dll h LEU 82 Ca 0.04 0.08 0.11 0.00 0.84 0.00 0.00 57.88 58.94 2dll h LEU 82 Cb 0.13 0.02 -0.08 0.00 0.37 0.00 0.00 40.66 41.10 2dll h LEU 82 CO -0.25 0.20 0.64 -0.09 -0.34 0.00 0.00 178.44 178.60 2dll h ARG 83 N 0.53 1.01 0.02 1.25 2.43 0.18 -1.01 114.38 118.79 2dll h ARG 83 Ca 0.36 -0.06 -0.00 0.00 -0.81 0.00 0.00 59.98 59.47 2dll h ARG 83 Cb 0.44 -0.23 0.00 0.00 -0.42 0.00 0.00 29.97 29.76 2dll h ARG 83 CO -0.31 0.67 -0.01 0.00 -1.51 0.00 0.00 179.97 178.81 2dll h ALA 85 N 0.59 1.17 -0.63 0.00 0.00 -0.80 -1.79 119.26 117.80 2dll h ALA 85 Ca -0.00 0.05 0.13 0.00 0.00 0.00 0.00 54.91 55.09 2dll h ALA 85 Cb 0.37 -0.08 -0.11 0.00 0.00 0.00 0.00 17.79 17.96 2dll h ALA 85 CO 0.00 0.02 -0.06 1.25 0.00 0.00 0.00 179.25 180.47 2dll h LEU 86 N 0.71 -0.40 -0.25 0.00 5.85 -1.15 -0.73 115.31 119.34 2dll h LEU 86 Ca 0.41 0.17 -0.04 0.00 0.84 0.00 0.00 57.88 59.26 2dll h LEU 86 Cb 0.45 0.32 -0.01 0.00 0.37 0.00 0.00 40.66 41.79 2dll h LEU 86 CO -0.28 -0.16 0.02 -1.13 -0.34 0.00 0.00 178.44 176.55 2dll h ASN 87 N 0.07 0.43 -1.00 1.25 -1.24 -1.36 -2.95 115.58 110.78 2dll h ASN 87 Ca 0.32 -0.29 0.20 0.00 0.71 0.00 0.00 56.30 57.25 2dll h ASN 87 Cb 0.52 -0.11 -0.11 0.00 0.73 0.00 0.00 38.32 39.35 2dll h ASN 87 CO -0.58 0.61 0.60 0.11 -1.29 0.00 0.00 177.43 176.87 2dll h LYS 88 N 0.23 0.69 -6.15 6.67 1.57 -0.59 -3.40 116.57 115.58 2dll h LYS 88 Ca 0.07 -0.04 -0.66 0.00 -1.87 0.00 0.00 60.65 58.15 2dll h LYS 88 Cb 0.38 -0.16 0.01 0.00 0.08 0.00 0.00 32.23 32.54 2dll h LYS 88 CO 0.01 0.46 1.15 0.43 -0.57 0.00 0.00 179.45 180.93 2dll n SER 89 N -4.81 2.81 0.02 0.86 7.64 -0.41 -4.84 113.62 114.89 2dll n SER 89 Ca 0.24 0.81 -0.07 0.00 1.01 0.00 0.00 58.87 60.87 2dll n SER 89 Cb 0.61 -1.29 -0.12 0.00 -1.01 0.00 0.00 64.21 62.40 2dll n SER 89 CO 0.00 0.00 0.00 -0.55 -3.01 0.00 0.00 175.04 171.48 2dll h ASN 90 N 9.82 0.00 0.00 6.43 7.08 -1.88 -3.28 115.58 133.75 2dll h ASN 90 Ca -0.42 0.00 0.00 0.00 -3.08 0.00 0.00 56.30 52.80 2dll h ASN 90 Cb 1.30 0.00 0.00 0.00 -2.08 0.00 0.00 38.32 37.54 2dll h ASN 90 CO 0.97 0.93 0.00 0.47 -2.08 0.00 0.00 177.43 177.73 2dll n ASP 91 N -3.14 0.00 -4.70 6.14 9.92 -1.26 -4.76 116.55 118.74 2dll n ASP 91 Ca -0.10 -1.71 -0.34 0.00 -0.53 0.00 0.00 54.79 52.11 2dll n ASP 91 Cb 0.98 0.00 -0.09 0.00 -0.64 0.00 0.00 41.12 41.37 2dll n ASP 91 CO 0.00 0.00 0.00 -0.36 0.13 0.00 0.00 177.20 176.97 2dll s PHE 92 N -2.00 3.16 0.09 1.24 0.40 -1.24 0.22 117.98 119.85 2dll s PHE 92 Ca 0.03 0.16 0.05 0.00 -0.60 0.00 0.00 56.93 56.58 2dll s PHE 92 Cb 0.02 -1.74 -0.04 0.00 0.51 0.00 0.00 43.02 41.77 2dll s PHE 92 CO 0.03 0.49 -0.02 -2.00 0.70 0.00 0.00 175.22 174.41 2dll s GLU 93 N -1.28 2.46 -0.38 0.44 2.56 0.88 -4.83 118.70 118.55 2dll s GLU 93 Ca 0.17 -0.88 -0.19 0.00 0.00 0.00 0.00 54.97 54.08 2dll s GLU 93 Cb -0.12 -2.49 0.01 0.00 2.00 0.00 0.00 34.13 33.53 2dll s GLU 93 CO 0.07 0.53 0.53 -2.00 -0.56 0.00 0.00 175.26 173.84 2dll s GLU 94 N -2.27 3.48 -0.18 4.30 2.12 -1.26 -2.41 118.70 122.47 2dll s GLU 94 Ca 0.25 -0.28 0.16 0.00 0.36 0.00 0.00 54.97 55.45 2dll s GLU 94 Cb -0.12 -3.86 0.74 0.00 0.26 0.00 0.00 34.13 31.15 2dll s GLU 94 CO 0.17 -0.75 1.66 1.28 -0.54 0.00 0.00 175.26 177.08 2dll n LEU 95 N 5.84 5.11 -0.43 2.70 4.77 -1.03 -4.66 117.00 129.30 2dll n LEU 95 Ca -0.04 -2.77 0.33 0.00 -0.03 0.00 0.00 56.01 53.50 2dll n LEU 95 Cb 0.48 -0.62 0.51 0.00 -2.33 0.00 0.00 43.42 41.46 2dll n LEU 95 CO 0.47 0.70 0.91 0.55 -1.33 0.00 0.00 177.39 178.70 2dll n VAL 96 N 0.62 -0.01 -0.30 4.08 3.14 -1.25 0.14 118.33 124.75 2dll n VAL 96 Ca 0.26 0.94 0.12 0.00 -2.96 0.00 0.00 64.34 62.69 2dll n VAL 96 Cb 1.04 -1.56 0.29 0.00 -1.06 0.00 0.00 33.84 32.55 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 0.42 0.00 1.45 4.39 -1.91 -0.10 114.58 118.83 2dll h GLU 97 Ca 0.58 -0.03 -0.10 0.00 0.34 0.00 0.00 59.36 60.16 2dll h GLU 97 Cb 2.32 -0.09 -0.02 0.00 -0.10 0.00 0.00 28.75 30.86 2dll h GLU 97 CO -0.02 0.28 -1.41 0.54 -1.16 0.00 0.00 179.01 177.24 2dll n ARG 98 N -5.02 0.62 -1.66 2.33 1.74 0.37 -4.92 116.66 110.12 2dll n ARG 98 Ca 0.21 0.12 -0.50 0.00 -0.77 0.00 0.00 57.85 56.91 2dll n ARG 98 Cb 0.61 -1.76 -0.05 0.00 -1.02 0.00 0.00 32.46 30.24 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 -2.73 2.63 -4.09 0.55 3.41 -0.05 -4.84 113.62 108.50 2dll n SER 99 Ca -0.07 1.07 -0.33 0.00 -0.26 0.00 0.00 58.87 59.28 2dll n SER 99 Cb 0.73 -1.30 -0.15 0.00 -0.26 0.00 0.00 64.21 63.23 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 1.88 2.21 -0.08 4.33 -1.52 -0.72 -4.93 119.66 120.82 2dll s GLN 100 Ca 0.87 -1.40 0.11 0.00 -1.95 0.00 0.00 55.36 53.00 2dll s GLN 100 Cb -0.83 -3.02 0.25 0.00 -0.22 0.00 0.00 33.01 29.19 2dll s GLN 100 CO 0.48 -0.63 1.17 1.28 -0.25 0.00 0.00 175.29 177.33 2dll n LEU 101 N 4.47 2.61 -0.23 2.90 4.77 -1.26 -0.89 117.00 129.36 2dll n LEU 101 Ca -0.12 -2.58 0.08 0.00 -0.03 0.00 0.00 56.01 53.36 2dll n LEU 101 Cb 0.42 -0.29 0.14 0.00 -2.33 0.00 0.00 43.42 41.36 2dll n LEU 101 CO 0.23 0.64 0.58 0.47 -1.33 0.00 0.00 177.39 177.98 2dll n ASP 102 N -0.69 2.59 -4.78 -1.43 9.92 -1.26 -4.85 116.55 116.04 2dll n ASP 102 Ca 0.11 -2.82 -0.31 0.00 -0.53 0.00 0.00 54.79 51.25 2dll n ASP 102 Cb 0.53 -0.36 -0.06 0.00 -0.64 0.00 0.00 41.12 40.59 2dll n ASP 102 CO 0.00 0.00 0.00 0.27 0.13 0.00 0.00 177.20 177.60 2dll s ILE 103 N -2.43 1.39 0.14 0.53 -0.00 -1.26 -5.05 121.20 114.52 2dll s ILE 103 Ca 0.27 -1.87 -0.32 0.00 -0.00 0.00 0.00 60.65 58.74 2dll s ILE 103 Cb 0.23 -2.26 -0.08 0.00 -0.00 0.00 0.00 42.46 40.35 2dll s ILE 103 CO 0.04 0.00 1.55 0.28 -0.00 0.00 0.00 174.94 176.81 2dll h SER 104 N 1.25 -1.92 -3.50 4.36 0.02 -1.96 -3.32 113.55 108.49 2dll h SER 104 Ca -0.42 0.27 -0.70 0.00 -0.84 0.00 0.00 61.79 60.09 2dll h SER 104 Cb 1.30 0.81 -0.31 0.00 0.14 0.00 0.00 62.40 64.34 2dll h SER 104 CO 0.71 -0.35 -0.53 -0.62 -1.14 0.00 0.00 176.83 174.90 2dll s ASP 105 N -5.19 5.38 0.38 3.07 -1.08 -1.26 -5.09 116.67 112.88 2dll s ASP 105 Ca -0.14 -1.71 -0.26 0.00 -0.52 0.00 0.00 52.55 49.92 2dll s ASP 105 Cb 0.10 -1.88 -0.09 0.00 -1.46 0.00 0.00 42.92 39.59 2dll s ASP 105 CO 0.62 -0.51 1.20 -2.16 0.52 0.00 0.00 175.17 174.84 2dll s PRO 106 N 1.28 4.12 -0.02 4.34 0.04 -1.25 -4.91 135.00 138.61 2dll s PRO 106 Ca 0.04 1.92 -0.25 0.00 0.04 0.00 0.00 61.00 62.75 2dll s PRO 106 Cb -0.23 -2.77 0.05 0.00 0.04 0.00 0.00 34.50 31.60 2dll s PRO 106 CO -0.01 -0.28 0.56 1.52 0.04 0.00 0.00 177.00 178.82 2dll s TYR 107 N -1.34 -0.49 -0.17 0.56 1.13 -0.07 -1.61 117.35 115.35 2dll s TYR 107 Ca 0.55 0.78 -0.01 0.00 -1.41 0.00 0.00 57.07 56.98 2dll s TYR 107 Cb -0.33 0.32 -0.01 0.00 -1.10 0.00 0.00 41.96 40.84 2dll s TYR 107 CO 0.42 -0.56 -0.11 0.15 -2.51 0.00 0.00 175.55 172.94 2dll s LYS 108 N -1.46 3.32 0.03 -3.49 1.02 0.17 -1.76 119.74 117.57 2dll s LYS 108 Ca -0.11 -0.68 -0.19 0.00 0.02 0.00 0.00 55.97 55.01 2dll s LYS 108 Cb -0.01 -2.77 -0.06 0.00 -0.52 0.00 0.00 37.83 34.46 2dll s LYS 108 CO 0.06 -0.02 0.55 0.08 -0.92 0.00 0.00 175.35 175.10 2dll s VAL 109 N 0.96 4.85 0.02 3.17 1.01 -1.26 -0.89 120.40 128.26 2dll s VAL 109 Ca -0.02 1.16 -0.01 0.00 0.00 0.00 0.00 61.98 63.11 2dll s VAL 109 Cb -0.15 -3.88 -0.02 0.00 0.00 0.00 0.00 36.38 32.34 2dll s VAL 109 CO -0.01 0.51 -0.00 -0.31 0.00 0.00 0.00 175.10 175.28 2dll s TYR 110 N -0.74 0.21 -0.18 5.22 1.51 -0.58 -2.46 117.35 120.32 2dll s TYR 110 Ca 0.29 -0.44 -0.00 0.00 -1.01 0.00 0.00 57.07 55.91 2dll s TYR 110 Cb -0.19 -0.16 0.01 0.00 -0.11 0.00 0.00 41.96 41.52 2dll s TYR 110 CO 0.17 -0.19 -0.16 0.50 -1.11 0.00 0.00 175.55 174.76 2dll s ARG 111 N -1.35 3.11 -0.60 -0.62 3.52 -1.01 -1.94 118.95 120.06 2dll s ARG 111 Ca -0.15 -0.78 -0.27 0.00 -0.13 0.00 0.00 55.73 54.41 2dll s ARG 111 Cb -0.09 -2.66 -0.01 0.00 -1.56 0.00 0.00 34.95 30.63 2dll s ARG 111 CO -0.01 -0.16 1.67 0.42 -0.81 0.00 0.00 175.30 176.41 2dll s ILE 112 N 1.23 3.52 -0.18 4.11 1.01 0.23 -0.08 121.20 131.03 2dll s ILE 112 Ca 0.03 0.36 -0.29 0.00 0.00 0.00 0.00 60.65 60.75 2dll s ILE 112 Cb -0.14 -4.18 -0.01 0.00 0.01 0.00 0.00 42.46 38.14 2dll s ILE 112 CO -0.08 -1.08 1.24 -0.69 0.00 0.00 0.00 174.94 174.33 2dll s VAL 113 N 7.70 4.31 1.25 2.92 1.01 0.59 -4.91 120.40 133.27 2dll s VAL 113 Ca 0.60 1.58 -0.21 0.00 0.00 0.00 0.00 61.98 63.95 2dll s VAL 113 Cb -0.12 -4.04 0.31 0.00 0.00 0.00 0.00 36.38 32.52 2dll s VAL 113 CO 0.22 -0.17 1.11 -2.16 0.00 0.00 0.00 175.10 174.10 2dll s PRO 114 N 3.52 -1.63 -0.10 2.72 0.04 -1.26 -4.58 135.00 133.71 2dll s PRO 114 Ca 0.54 -0.21 -0.24 0.00 0.04 0.00 0.00 61.00 61.13 2dll s PRO 114 Cb -0.21 -1.56 -0.21 0.00 0.04 0.00 0.00 34.50 32.57 2dll s PRO 114 CO 0.14 -3.95 0.80 0.93 0.04 0.00 0.00 177.00 174.95 2dll h GLU 115 N -2.75 -0.04 -5.68 4.56 5.08 -1.95 -3.48 114.58 110.32 2dll h GLU 115 Ca -0.42 0.00 -0.61 0.00 -1.00 0.00 0.00 59.36 57.33 2dll h GLU 115 Cb 1.28 0.01 -0.11 0.00 0.50 0.00 0.00 28.75 30.43 2dll h GLU 115 CO 0.28 0.67 -0.52 -1.12 -1.00 0.00 0.00 179.01 177.32 2dll s SER 116 N -5.93 4.19 0.00 1.42 0.01 -1.26 -5.13 113.70 107.00 2dll s SER 116 Ca -0.15 -1.31 0.00 0.00 1.31 0.00 0.00 55.95 55.80 2dll s SER 116 Cb -0.01 -0.19 0.00 0.00 0.21 0.00 0.00 66.02 66.03 2dll s SER 116 CO 0.58 -0.61 0.00 0.61 0.41 0.00 0.00 173.24 174.23 2dll n GLY 117 N -1.19 -1.39 0.00 3.44 0.00 -1.26 -4.97 105.19 99.81 2dll n GLY 117 Ca -0.06 -1.03 0.04 0.00 0.00 0.00 0.00 46.02 44.97 2dll n GLY 117 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 2dll n PRO 118 N -0.15 0.49 0.20 1.61 -0.04 -1.26 -3.48 135.00 132.37 2dll n PRO 118 Ca 0.00 0.00 -0.11 0.00 -0.04 0.00 0.00 63.50 63.35 2dll n PRO 118 Cb 0.00 -1.26 -0.06 0.00 -0.04 0.00 0.00 33.50 32.13 2dll n PRO 118 CO 0.00 0.00 0.00 0.77 -0.04 0.00 0.00 175.50 176.23 2dll h SER 119 N 0.00 -0.47 -3.14 3.54 0.02 -2.02 -3.43 113.55 108.05 2dll h SER 119 Ca 0.00 -0.09 -0.57 0.00 -0.84 0.00 0.00 61.79 60.29 2dll h SER 119 Cb 0.00 0.12 -0.36 0.00 0.14 0.00 0.00 62.40 62.30 2dll h SER 119 CO 0.00 -0.04 -0.82 -0.44 -1.14 0.00 0.00 176.83 174.39 2dll s SER 120 N -4.95 2.49 0.00 3.07 0.01 -1.23 -5.29 113.70 107.81 2dll s SER 120 Ca -0.12 -0.41 0.25 0.00 1.31 0.00 0.00 55.95 56.98 2dll s SER 120 Cb 0.01 -1.05 0.38 0.00 0.21 0.00 0.00 66.02 65.57 2dll s SER 120 CO 0.39 -0.08 1.37 0.61 0.41 0.00 0.00 173.24 175.94