#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2dll n SER 2 N 0.00 1.67 -0.32 1.61 7.64 -1.26 -4.41 113.62 118.55 2dll n SER 2 Ca 0.00 0.60 0.02 0.00 1.01 0.00 0.00 58.87 60.50 2dll n SER 2 Cb 0.00 -0.84 0.07 0.00 -1.01 0.00 0.00 64.21 62.43 2dll n SER 2 CO 0.00 0.00 0.00 -0.24 -3.01 0.00 0.00 175.04 171.79 2dll n SER 3 N -4.43 -0.44 -3.04 6.43 2.88 -1.26 -4.81 113.62 108.96 2dll n SER 3 Ca -0.07 1.47 0.01 0.00 -1.33 0.00 0.00 58.87 58.95 2dll n SER 3 Cb 0.25 -0.39 0.01 0.00 -0.75 0.00 0.00 64.21 63.34 2dll n SER 3 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 2dll n GLY 4 N -1.46 0.45 3.75 0.46 0.00 -1.26 -5.15 105.19 101.99 2dll n GLY 4 Ca 0.11 -1.03 -0.41 0.00 0.00 0.00 0.00 46.02 44.70 2dll n GLY 4 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 2dll s SER 5 N -3.07 7.09 -0.24 1.61 1.04 -1.26 -4.65 113.70 114.22 2dll s SER 5 Ca 0.21 2.36 -0.01 0.00 0.48 0.00 0.00 55.95 58.99 2dll s SER 5 Cb -0.01 -2.63 0.03 0.00 0.10 0.00 0.00 66.02 63.51 2dll s SER 5 CO 0.01 -0.31 -0.07 -0.44 0.98 0.00 0.00 173.24 173.41 2dll s SER 6 N -0.47 4.26 0.00 7.02 0.01 -1.26 -4.87 113.70 118.39 2dll s SER 6 Ca 0.48 -0.88 0.00 0.00 1.31 0.00 0.00 55.95 56.86 2dll s SER 6 Cb -0.34 -1.65 0.00 0.00 0.21 0.00 0.00 66.02 64.24 2dll s SER 6 CO 0.42 -0.12 0.00 0.61 0.41 0.00 0.00 173.24 174.56 2dll n GLY 7 N 4.66 0.82 3.15 3.44 0.00 -1.26 -5.11 105.19 110.89 2dll n GLY 7 Ca -0.17 -0.59 -0.33 0.00 0.00 0.00 0.00 46.02 44.93 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 -0.32 3.00 -0.21 1.61 1.02 -1.26 -5.00 119.74 118.59 2dll s LYS 8 Ca 0.00 -0.83 -0.17 0.00 0.02 0.00 0.00 55.97 54.99 2dll s LYS 8 Cb 0.00 -2.67 -0.19 0.00 -0.52 0.00 0.00 37.83 34.45 2dll s LYS 8 CO 0.00 -0.23 0.14 -0.11 -0.92 0.00 0.00 175.35 174.23 2dll n LEU 9 N 4.64 2.05 -0.06 3.17 7.94 -1.26 -3.31 117.00 130.17 2dll n LEU 9 Ca -0.20 0.35 -0.04 0.00 -1.11 0.00 0.00 56.01 55.02 2dll n LEU 9 Cb 0.50 -0.97 -0.03 0.00 0.53 0.00 0.00 43.42 43.45 2dll n LEU 9 CO 0.26 0.45 0.50 -0.09 -1.11 0.00 0.00 177.39 177.40 2dll h ARG 10 N -0.78 -0.08 0.91 1.96 2.43 -1.99 0.25 114.38 117.08 2dll h ARG 10 Ca -0.42 0.01 -0.04 0.00 -0.81 0.00 0.00 59.98 58.71 2dll h ARG 10 Cb 1.50 0.02 0.01 0.00 -0.42 0.00 0.00 29.97 31.08 2dll h ARG 10 CO -0.19 -0.05 -0.44 0.37 -1.51 0.00 0.00 179.97 178.15 2dll h GLN 11 N -0.08 -1.18 -0.83 0.20 5.75 -1.99 -1.89 115.11 115.09 2dll h GLN 11 Ca 0.03 0.08 0.09 0.00 -0.15 0.00 0.00 58.65 58.70 2dll h GLN 11 Cb 0.15 0.27 -0.11 0.00 1.07 0.00 0.00 27.48 28.86 2dll h GLN 11 CO -0.19 -0.78 -0.44 1.87 -2.65 0.00 0.00 178.83 176.64 2dll n TRP 12 N -5.48 -0.25 0.27 3.99 -0.00 -1.14 -0.13 117.44 114.71 2dll n TRP 12 Ca -0.15 1.03 -0.17 0.00 -0.00 0.00 0.00 57.50 58.22 2dll n TRP 12 Cb 0.48 -0.64 -0.08 0.00 -0.00 0.00 0.00 31.31 31.07 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 -1.01 -0.93 5.87 5.85 -0.50 -2.32 115.31 122.27 2dll h LEU 13 Ca 0.18 0.08 0.25 0.00 0.84 0.00 0.00 57.88 59.23 2dll h LEU 13 Cb 0.39 0.33 -0.13 0.00 0.37 0.00 0.00 40.66 41.61 2dll h LEU 13 CO -0.79 -0.55 0.42 0.40 -0.34 0.00 0.00 178.44 177.58 2dll h ILE 14 N -0.83 0.40 -0.73 4.05 2.04 0.02 0.54 117.51 122.99 2dll h ILE 14 Ca -0.04 -0.12 -0.00 0.00 1.00 0.00 0.00 64.86 65.69 2dll h ILE 14 Cb 0.72 0.01 -0.04 0.00 -0.74 0.00 0.00 36.82 36.77 2dll h ILE 14 CO -0.02 0.07 0.45 -0.78 0.00 0.00 0.00 178.15 177.87 2dll h ASP 15 N 0.36 0.86 -0.58 1.72 3.58 -0.01 -0.77 116.42 121.59 2dll h ASP 15 Ca 0.61 -0.04 -0.11 0.00 0.42 0.00 0.00 57.03 57.91 2dll h ASP 15 Cb 1.25 -0.22 -0.02 0.00 1.72 0.00 0.00 39.33 42.06 2dll h ASP 15 CO -0.57 0.66 -0.06 1.56 -2.88 0.00 0.00 179.24 177.95 2dll h GLN 16 N 1.00 1.06 -0.14 0.28 1.08 0.52 -2.38 115.11 116.53 2dll h GLN 16 Ca 0.26 -0.37 -0.04 0.00 -1.45 0.00 0.00 58.65 57.06 2dll h GLN 16 Cb -0.06 -0.08 -0.00 0.00 -0.05 0.00 0.00 27.48 27.29 2dll h GLN 16 CO -0.05 1.07 -0.05 0.82 -0.95 0.00 0.00 178.83 179.66 2dll h ILE 17 N 0.95 1.31 -0.60 2.54 2.04 -0.80 -2.01 117.51 120.95 2dll h ILE 17 Ca 0.16 -1.06 0.07 0.00 1.00 0.00 0.00 64.86 65.03 2dll h ILE 17 Cb 0.63 1.72 -0.06 0.00 -0.74 0.00 0.00 36.82 38.36 2dll h ILE 17 CO 0.04 0.31 0.27 -0.78 0.00 0.00 0.00 178.15 177.99 2dll h ASP 18 N -0.05 0.34 -0.11 1.72 1.82 -1.13 -1.32 116.42 117.69 2dll h ASP 18 Ca 0.03 0.05 -0.08 0.00 -0.39 0.00 0.00 57.03 56.65 2dll h ASP 18 Cb 0.51 0.00 -0.02 0.00 0.68 0.00 0.00 39.33 40.50 2dll h ASP 18 CO 0.02 0.21 -0.16 0.77 -1.61 0.00 0.00 179.24 178.47 2dll h SER 19 N 0.49 0.48 -2.29 2.28 4.64 -1.40 -3.47 113.55 114.29 2dll h SER 19 Ca 0.29 -0.14 -0.33 0.00 -0.47 0.00 0.00 61.79 61.14 2dll h SER 19 Cb 0.28 -0.13 -0.02 0.00 -0.31 0.00 0.00 62.40 62.22 2dll h SER 19 CO -0.24 0.67 -0.42 0.61 -0.87 0.00 0.00 176.83 176.58 2dll n GLY 20 N -0.56 -0.20 0.21 -0.77 0.00 -0.50 -4.90 105.19 98.47 2dll n GLY 20 Ca 0.00 -0.19 -0.15 0.00 0.00 0.00 0.00 46.02 45.68 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 -6.25 1.61 1.57 -1.86 -3.44 116.57 108.89 2dll h LYS 21 Ca -0.39 -0.57 -0.57 0.00 -1.87 0.00 0.00 60.65 57.25 2dll h LYS 21 Cb 1.28 0.12 -0.04 0.00 0.08 0.00 0.00 32.23 33.67 2dll h LYS 21 CO 0.47 1.18 -0.06 0.71 -0.57 0.00 0.00 179.45 181.18 2dll s TYR 22 N -3.73 3.73 0.53 -1.35 1.51 -1.26 -5.06 117.35 111.71 2dll s TYR 22 Ca -0.09 1.18 -0.20 0.00 -1.01 0.00 0.00 57.07 56.95 2dll s TYR 22 Cb 0.09 -2.44 -0.06 0.00 -0.11 0.00 0.00 41.96 39.44 2dll s TYR 22 CO 0.89 0.53 1.14 -1.25 -1.11 0.00 0.00 175.55 175.75 2dll s PRO 23 N -1.43 3.44 0.00 -1.71 0.04 -1.26 -3.35 135.00 130.73 2dll s PRO 23 Ca 0.32 1.65 0.00 0.00 0.04 0.00 0.00 61.00 63.00 2dll s PRO 23 Cb -0.18 -2.08 0.00 0.00 0.04 0.00 0.00 34.50 32.28 2dll s PRO 23 CO 0.19 -0.79 0.00 0.41 0.04 0.00 0.00 177.00 176.85 2dll n GLY 24 N 0.22 1.73 3.57 0.56 0.00 -1.26 -4.66 105.19 105.35 2dll n GLY 24 Ca 0.11 -0.09 -0.41 0.00 0.00 0.00 0.00 46.02 45.63 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 3.35 -0.08 0.99 2.96 -1.21 -4.40 118.68 120.29 2dll s LEU 25 Ca 0.00 0.35 -0.19 0.00 -0.22 0.00 0.00 54.13 54.07 2dll s LEU 25 Cb 0.00 -2.87 0.04 0.00 0.50 0.00 0.00 46.19 43.86 2dll s LEU 25 CO 0.00 -1.96 0.44 0.68 -1.32 0.00 0.00 176.35 174.19 2dll s VAL 26 N 7.20 0.03 -0.14 1.68 -7.23 -1.21 -4.71 120.40 116.01 2dll s VAL 26 Ca 0.59 -0.21 -0.29 0.00 -1.81 0.00 0.00 61.98 60.26 2dll s VAL 26 Cb -0.12 -0.71 -0.01 0.00 0.56 0.00 0.00 36.38 36.09 2dll s VAL 26 CO 0.23 -0.11 1.14 0.26 -0.31 0.00 0.00 175.10 176.31 2dll s TRP 27 N -0.76 3.18 0.31 2.82 0.52 -1.26 -1.70 118.94 122.05 2dll s TRP 27 Ca -0.08 1.29 0.27 0.00 0.02 0.00 0.00 56.10 57.59 2dll s TRP 27 Cb -0.03 -3.37 1.29 0.00 -1.15 0.00 0.00 33.47 30.21 2dll s TRP 27 CO 0.04 -1.02 1.99 0.93 0.02 0.00 0.00 176.95 178.91 2dll h GLU 28 N 7.62 0.00 -5.38 4.98 5.08 -0.50 -3.45 114.58 122.93 2dll h GLU 28 Ca -0.27 0.00 -0.54 0.00 -1.00 0.00 0.00 59.36 57.55 2dll h GLU 28 Cb 1.11 0.00 -0.13 0.00 0.50 0.00 0.00 28.75 30.23 2dll h GLU 28 CO 0.93 0.15 -0.60 0.54 -1.00 0.00 0.00 179.01 179.03 2dll s ASN 29 N -6.10 2.98 0.11 1.42 2.20 -1.23 -5.05 114.94 109.26 2dll s ASN 29 Ca -0.01 -1.39 0.02 0.00 -0.94 0.00 0.00 52.86 50.54 2dll s ASN 29 Cb 0.12 -0.18 -0.22 0.00 -2.00 0.00 0.00 41.25 38.98 2dll s ASN 29 CO 0.59 -0.56 1.23 -0.33 -2.94 0.00 0.00 177.10 175.10 2dll h GLU 30 N 1.96 0.13 0.00 3.55 4.39 -1.93 -3.20 114.58 119.48 2dll h GLU 30 Ca -0.42 -0.22 0.00 0.00 0.34 0.00 0.00 59.36 59.07 2dll h GLU 30 Cb 1.24 0.08 0.00 0.00 -0.10 0.00 0.00 28.75 29.97 2dll h GLU 30 CO 0.74 1.08 0.15 -0.85 -1.16 0.00 0.00 179.01 178.97 2dll n GLU 31 N -3.46 0.09 -3.14 2.33 0.28 -1.26 -4.79 120.64 110.69 2dll n GLU 31 Ca -0.04 0.55 -0.20 0.00 -0.16 0.00 0.00 57.16 57.32 2dll n GLU 31 Cb 0.96 -1.94 0.05 0.00 1.43 0.00 0.00 31.44 31.94 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 -1.98 -5.36 -0.06 3.44 4.76 -1.21 -4.90 118.16 112.85 2dll n LYS 32 Ca -0.01 0.74 -0.08 0.00 -2.87 0.00 0.00 58.31 56.09 2dll n LYS 32 Cb 0.17 -5.36 -0.06 0.00 -1.84 0.00 0.00 35.03 27.94 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 -2.07 2.89 -4.67 4.39 2.88 -1.26 -5.00 113.62 110.77 2dll n SER 33 Ca -0.05 -0.05 -0.35 0.00 -1.33 0.00 0.00 58.87 57.09 2dll n SER 33 Cb 0.58 0.00 -0.10 0.00 -0.75 0.00 0.00 64.21 63.94 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 -2.26 4.33 0.28 2.46 1.01 -1.26 -2.25 121.20 123.51 2dll s ILE 34 Ca -0.15 -0.24 -0.07 0.00 0.00 0.00 0.00 60.65 60.20 2dll s ILE 34 Cb 0.04 -2.83 -0.01 0.00 0.01 0.00 0.00 42.46 39.67 2dll s ILE 34 CO 0.32 0.59 0.43 0.72 0.00 0.00 0.00 174.94 177.00 2dll s PHE 35 N -0.74 0.78 -0.04 3.97 -0.71 -1.16 0.27 117.98 120.35 2dll s PHE 35 Ca 0.12 -1.07 0.04 0.00 -1.04 0.00 0.00 56.93 54.98 2dll s PHE 35 Cb -0.12 -0.03 0.00 0.00 -1.21 0.00 0.00 43.02 41.66 2dll s PHE 35 CO 0.02 -1.01 -0.15 -0.98 -1.34 0.00 0.00 175.22 171.76 2dll s ARG 36 N -3.61 1.62 -0.09 1.99 1.70 -0.69 -2.55 118.95 117.32 2dll s ARG 36 Ca 0.28 -0.53 0.02 0.00 -0.47 0.00 0.00 55.73 55.03 2dll s ARG 36 Cb 0.01 -1.41 -0.02 0.00 -0.57 0.00 0.00 34.95 32.95 2dll s ARG 36 CO 0.14 0.19 -0.14 -1.50 -1.08 0.00 0.00 175.30 172.92 2dll s ILE 37 N 0.15 3.07 -0.26 4.99 2.07 -0.51 -3.35 121.20 127.36 2dll s ILE 37 Ca -0.05 -0.69 -0.29 0.00 -1.41 0.00 0.00 60.65 58.21 2dll s ILE 37 Cb -0.11 -2.25 -0.02 0.00 0.13 0.00 0.00 42.46 40.21 2dll s ILE 37 CO 0.02 0.56 1.64 -2.16 -1.91 0.00 0.00 174.94 173.09 2dll s PRO 38 N -0.18 3.68 -0.43 3.50 0.04 -1.26 0.42 135.00 140.78 2dll s PRO 38 Ca 0.00 1.56 -0.07 0.00 0.04 0.00 0.00 61.00 62.53 2dll s PRO 38 Cb -0.13 -4.07 0.10 0.00 0.04 0.00 0.00 34.50 30.44 2dll s PRO 38 CO 0.03 -1.43 0.26 -0.46 0.04 0.00 0.00 177.00 175.44 2dll s TRP 39 N 5.57 3.44 -0.00 0.56 -0.11 -0.85 -4.91 118.94 122.64 2dll s TRP 39 Ca 0.72 -1.95 -0.00 0.00 1.22 0.00 0.00 56.10 56.09 2dll s TRP 39 Cb -0.23 -3.17 -0.00 0.00 -1.50 0.00 0.00 33.47 28.56 2dll s TRP 39 CO 0.30 -0.93 0.01 0.15 -4.62 0.00 0.00 176.95 171.86 2dll s LYS 40 N 1.30 0.06 0.52 5.86 1.02 -1.26 -4.43 119.74 122.80 2dll s LYS 40 Ca 0.05 -0.07 0.06 0.00 0.02 0.00 0.00 55.97 56.04 2dll s LYS 40 Cb -0.24 0.02 0.03 0.00 -0.52 0.00 0.00 37.83 37.12 2dll s LYS 40 CO -0.01 -0.01 0.42 -3.38 -0.92 0.00 0.00 175.35 171.45 2dll s HIS 41 N -0.19 1.86 0.45 3.18 -3.43 -1.26 -4.98 115.29 110.92 2dll s HIS 41 Ca -0.02 -0.75 0.33 0.00 -0.80 0.00 0.00 55.06 53.82 2dll s HIS 41 Cb -0.01 -1.99 1.51 0.00 -1.43 0.00 0.00 32.58 30.66 2dll s HIS 41 CO -0.00 -0.44 1.58 0.00 -2.00 0.00 0.00 174.74 173.88 2dll h ALA 42 N 0.79 2.87 -0.71 -1.38 0.00 -2.05 -0.18 119.26 118.59 2dll h ALA 42 Ca -0.37 0.13 0.23 0.00 0.00 0.00 0.00 54.91 54.90 2dll h ALA 42 Cb 1.29 0.26 -0.13 0.00 0.00 0.00 0.00 17.79 19.21 2dll h ALA 42 CO 0.56 -1.57 0.15 0.41 0.00 0.00 0.00 179.25 178.81 2dll n GLY 43 N -1.53 -0.81 3.64 0.00 0.00 -1.26 -4.41 105.19 100.82 2dll n GLY 43 Ca 0.41 0.66 -0.32 0.00 0.00 0.00 0.00 46.02 46.77 2dll n GLY 43 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 2dll n LYS 44 N -4.84 -0.38 -3.87 1.61 4.76 -0.08 -5.05 118.16 110.31 2dll n LYS 44 Ca 0.21 -0.04 -0.11 0.00 -2.87 0.00 0.00 58.31 55.49 2dll n LYS 44 Cb 0.68 -2.32 -0.09 0.00 -1.84 0.00 0.00 35.03 31.46 2dll n LYS 44 CO 0.00 0.00 0.00 -0.65 -1.37 0.00 0.00 177.40 175.38 2dll s GLN 45 N -4.45 0.54 -1.20 1.97 -0.21 -1.26 -4.86 119.66 110.18 2dll s GLN 45 Ca 0.66 -0.47 -0.03 0.00 0.02 0.00 0.00 55.36 55.54 2dll s GLN 45 Cb -0.23 0.22 0.02 0.00 1.00 0.00 0.00 33.01 34.02 2dll s GLN 45 CO 0.58 -0.14 0.19 -0.25 -2.12 0.00 0.00 175.29 173.56 2dll n ASP 46 N 1.24 -4.16 -4.91 5.90 9.92 -1.26 -4.95 116.55 118.33 2dll n ASP 46 Ca -0.22 -0.02 -0.25 0.00 -0.53 0.00 0.00 54.79 53.77 2dll n ASP 46 Cb 0.56 -3.49 -0.00 0.00 -0.64 0.00 0.00 41.12 37.55 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 -2.77 1.69 -0.46 1.24 1.13 -1.26 -5.06 117.35 111.85 2dll s TYR 47 Ca 0.14 -0.80 -0.29 0.00 -1.41 0.00 0.00 57.07 54.71 2dll s TYR 47 Cb -0.07 -1.96 0.02 0.00 -1.10 0.00 0.00 41.96 38.85 2dll s TYR 47 CO 0.17 -0.51 1.31 0.54 -2.51 0.00 0.00 175.55 174.55 2dll s ASN 48 N -4.30 6.41 -0.21 -0.18 2.20 -1.26 -4.87 114.94 112.73 2dll s ASN 48 Ca 0.38 0.61 -0.19 0.00 -0.94 0.00 0.00 52.86 52.72 2dll s ASN 48 Cb -0.02 -2.54 -0.19 0.00 -2.00 0.00 0.00 41.25 36.49 2dll s ASN 48 CO 0.23 -1.41 0.17 -1.14 -2.94 0.00 0.00 177.10 172.01 2dll n ARG 49 N 8.09 0.59 -0.06 3.55 0.63 -1.26 -3.62 116.66 124.58 2dll n ARG 49 Ca 0.14 0.50 -0.13 0.00 -0.92 0.00 0.00 57.85 57.44 2dll n ARG 49 Cb 0.49 -1.71 -0.07 0.00 0.45 0.00 0.00 32.46 31.62 2dll n ARG 49 CO 0.00 0.00 0.00 0.93 -2.51 0.00 0.00 177.63 176.05 2dll h GLU 50 N -0.85 0.38 -0.19 -0.14 5.08 -1.98 -1.77 114.58 115.11 2dll h GLU 50 Ca -0.40 -0.19 0.04 0.00 -1.00 0.00 0.00 59.36 57.82 2dll h GLU 50 Cb 1.44 0.00 -0.04 0.00 0.50 0.00 0.00 28.75 30.65 2dll h GLU 50 CO -0.19 0.73 -0.09 1.49 -1.00 0.00 0.00 179.01 179.95 2dll h GLU 51 N 0.03 -0.06 -0.81 2.33 4.57 -1.97 0.42 114.58 119.09 2dll h GLU 51 Ca 0.03 0.00 -0.04 0.00 -1.18 0.00 0.00 59.36 58.17 2dll h GLU 51 Cb 0.64 0.01 -0.04 0.00 -0.16 0.00 0.00 28.75 29.21 2dll h GLU 51 CO 0.03 -0.04 0.35 0.38 -1.18 0.00 0.00 179.01 178.55 2dll h ASP 52 N -0.06 1.09 -0.23 1.04 3.04 -1.62 -2.66 116.42 117.02 2dll h ASP 52 Ca 0.10 -0.15 -0.11 0.00 -3.24 0.00 0.00 57.03 53.63 2dll h ASP 52 Cb 0.22 -0.28 -0.01 0.00 -1.04 0.00 0.00 39.33 38.21 2dll h ASP 52 CO -0.23 0.95 -0.23 0.00 -2.04 0.00 0.00 179.24 177.68 2dll h ALA 53 N 1.21 0.93 -0.77 4.15 0.00 -0.62 -3.14 119.26 121.02 2dll h ALA 53 Ca 0.27 -0.37 0.30 0.00 0.00 0.00 0.00 54.91 55.12 2dll h ALA 53 Cb 0.18 -0.14 -0.12 0.00 0.00 0.00 0.00 17.79 17.70 2dll h ALA 53 CO -0.03 0.61 0.44 0.00 0.00 0.00 0.00 179.25 180.28 2dll n ALA 54 N -2.50 0.78 0.03 0.00 0.00 0.14 0.20 120.51 119.17 2dll n ALA 54 Ca -0.00 0.69 -0.02 0.00 0.00 0.00 0.00 53.44 54.11 2dll n ALA 54 Cb 0.43 -0.72 -0.01 0.00 0.00 0.00 0.00 19.45 19.15 2dll n ALA 54 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 177.50 178.75 2dll h LEU 55 N 0.00 -0.08 -0.53 0.00 5.85 -1.70 -2.90 115.31 115.95 2dll h LEU 55 Ca 0.60 0.00 0.10 0.00 0.84 0.00 0.00 57.88 59.42 2dll h LEU 55 Cb 1.68 0.02 -0.11 0.00 0.37 0.00 0.00 40.66 42.62 2dll h LEU 55 CO -0.49 0.02 -0.27 -0.26 -0.34 0.00 0.00 178.44 177.10 2dll h PHE 56 N -0.25 -0.72 -0.33 1.25 0.04 -1.07 -1.56 116.94 114.29 2dll h PHE 56 Ca -0.01 0.06 0.06 0.00 2.80 0.00 0.00 57.97 60.88 2dll h PHE 56 Cb 0.08 0.40 -0.08 0.00 2.20 0.00 0.00 35.95 38.54 2dll h PHE 56 CO 0.06 -0.35 -0.45 -0.22 -0.60 0.00 0.00 178.31 176.75 2dll h LYS 57 N -0.14 -0.37 -0.89 1.51 1.63 -0.40 0.22 116.57 118.13 2dll h LYS 57 Ca 0.23 0.03 0.20 0.00 -0.85 0.00 0.00 60.65 60.26 2dll h LYS 57 Cb 0.52 0.08 -0.12 0.00 -0.60 0.00 0.00 32.23 32.11 2dll h LYS 57 CO -0.62 -0.25 0.41 0.00 -3.45 0.00 0.00 179.45 175.55 2dll h ALA 58 N 0.26 1.41 -0.14 5.00 0.00 -1.09 -0.32 119.26 124.39 2dll h ALA 58 Ca 0.11 0.14 0.03 0.00 0.00 0.00 0.00 54.91 55.19 2dll h ALA 58 Cb 0.60 0.10 -0.03 0.00 0.00 0.00 0.00 17.79 18.47 2dll h ALA 58 CO -0.53 -0.28 -0.05 2.35 0.00 0.00 0.00 179.25 180.74 2dll h TRP 59 N 0.46 -0.10 0.75 0.00 -0.00 -0.28 0.32 115.95 117.10 2dll h TRP 59 Ca 0.54 0.01 -0.04 0.00 -0.00 0.00 0.00 58.89 59.41 2dll h TRP 59 Cb 0.97 0.07 0.01 0.00 -0.00 0.00 0.00 29.16 30.21 2dll h TRP 59 CO -0.12 -0.08 -0.36 0.00 -0.00 0.00 0.00 178.44 177.88 2dll h ALA 60 N 1.11 -1.24 -0.96 2.65 0.00 -0.38 0.22 119.26 120.68 2dll h ALA 60 Ca 0.07 -0.22 0.18 0.00 0.00 0.00 0.00 54.91 54.94 2dll h ALA 60 Cb 0.12 0.39 -0.10 0.00 0.00 0.00 0.00 17.79 18.20 2dll h ALA 60 CO -0.15 -1.16 0.55 -0.07 0.00 0.00 0.00 179.25 178.42 2dll h LEU 61 N -1.03 0.70 0.15 0.00 3.38 -1.21 0.49 115.31 117.79 2dll h LEU 61 Ca -0.10 0.10 -0.01 0.00 0.09 0.00 0.00 57.88 57.96 2dll h LEU 61 Cb 0.77 -0.02 0.00 0.00 0.09 0.00 0.00 40.66 41.50 2dll h LEU 61 CO 0.17 0.26 -0.07 0.15 0.09 0.00 0.00 178.44 179.03 2dll h PHE 62 N 0.72 -0.19 0.35 1.13 3.04 -0.21 -3.35 116.94 118.43 2dll h PHE 62 Ca 0.54 -0.00 -0.02 0.00 3.98 0.00 0.00 57.97 62.47 2dll h PHE 62 Cb 0.82 0.06 0.00 0.00 2.56 0.00 0.00 35.95 39.40 2dll h PHE 62 CO -0.03 0.09 -0.17 0.87 -2.02 0.00 0.00 178.31 177.05 2dll h LYS 63 N -0.47 -0.45 0.00 1.11 1.79 0.36 -3.47 116.57 115.43 2dll h LYS 63 Ca -0.02 0.03 0.00 0.00 -2.18 0.00 0.00 60.65 58.48 2dll h LYS 63 Cb 0.37 0.10 0.00 0.00 -1.58 0.00 0.00 32.23 31.12 2dll h LYS 63 CO 0.03 -0.30 0.00 0.41 -1.08 0.00 0.00 179.45 178.51 2dll n GLY 64 N -0.55 2.88 2.78 3.86 0.00 0.16 -4.90 105.19 109.42 2dll n GLY 64 Ca -0.06 -1.92 -0.30 0.00 0.00 0.00 0.00 46.02 43.75 2dll n GLY 64 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2dll s LYS 65 N 3.24 0.87 -0.09 1.61 -0.14 -1.26 -4.43 119.74 119.54 2dll s LYS 65 Ca 0.00 -0.99 0.02 0.00 -1.36 0.00 0.00 55.97 53.63 2dll s LYS 65 Cb 0.00 -2.17 -0.02 0.00 -1.68 0.00 0.00 37.83 33.96 2dll s LYS 65 CO 0.00 -0.87 -0.14 0.12 -0.76 0.00 0.00 175.35 173.70 2dll s PHE 66 N 1.59 2.75 -0.32 3.18 2.19 -1.26 -5.05 117.98 121.06 2dll s PHE 66 Ca 0.06 -0.45 -0.21 0.00 0.33 0.00 0.00 56.93 56.66 2dll s PHE 66 Cb -0.18 -1.75 -0.00 0.00 -1.31 0.00 0.00 43.02 39.79 2dll s PHE 66 CO -0.18 -0.05 0.66 1.03 1.83 0.00 0.00 175.22 178.51 2dll s ARG 67 N -0.12 3.85 0.29 10.12 1.81 -1.26 -4.94 118.95 128.71 2dll s ARG 67 Ca -0.02 0.29 -0.01 0.00 -1.72 0.00 0.00 55.73 54.27 2dll s ARG 67 Cb -0.14 -3.75 0.47 0.00 -0.45 0.00 0.00 34.95 31.08 2dll s ARG 67 CO 0.04 -0.64 1.93 1.49 -0.68 0.00 0.00 175.30 177.44 2dll h GLU 68 N 8.25 1.06 0.00 3.54 4.81 -1.98 -0.80 114.58 129.47 2dll h GLU 68 Ca -0.26 -0.06 0.00 0.00 -0.13 0.00 0.00 59.36 58.90 2dll h GLU 68 Cb 1.11 -0.24 0.00 0.00 0.63 0.00 0.00 28.75 30.25 2dll h GLU 68 CO 0.83 0.70 -0.46 0.41 -0.73 0.00 0.00 179.01 179.76 2dll n GLY 69 N -1.40 -0.66 0.28 1.92 0.00 -1.26 -4.53 105.19 99.54 2dll n GLY 69 Ca 0.12 -0.15 0.08 0.00 0.00 0.00 0.00 46.02 46.07 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 -0.61 0.45 -2.74 -0.61 2.04 -1.99 -3.39 117.51 110.66 2dll h ILE 70 Ca 0.00 -0.09 -0.66 0.00 1.00 0.00 0.00 64.86 65.11 2dll h ILE 70 Cb 0.46 0.18 -0.07 0.00 -0.74 0.00 0.00 36.82 36.64 2dll h ILE 70 CO 0.00 0.05 -0.50 -1.81 0.00 0.00 0.00 178.15 175.89 2dll s ASP 71 N -5.20 6.27 0.04 1.72 1.01 -0.30 -5.02 116.67 115.18 2dll s ASP 71 Ca -0.13 0.41 -0.30 0.00 0.71 0.00 0.00 52.55 53.24 2dll s ASP 71 Cb 0.23 -1.99 -0.05 0.00 1.01 0.00 0.00 42.92 42.11 2dll s ASP 71 CO 0.76 0.38 1.17 -0.75 0.21 0.00 0.00 175.17 176.94 2dll s LYS 72 N -1.20 4.44 -0.32 8.23 2.47 -1.26 -4.34 119.74 127.75 2dll s LYS 72 Ca 0.17 1.71 -0.29 0.00 -1.56 0.00 0.00 55.97 56.01 2dll s LYS 72 Cb -0.12 -3.38 -0.01 0.00 -1.46 0.00 0.00 37.83 32.85 2dll s LYS 72 CO 0.07 -0.24 1.68 -1.25 0.16 0.00 0.00 175.35 175.77 2dll s PRO 73 N 1.15 3.48 -0.33 4.03 0.04 -1.26 -4.97 135.00 137.13 2dll s PRO 73 Ca 0.58 1.38 0.03 0.00 0.04 0.00 0.00 61.00 63.02 2dll s PRO 73 Cb -0.28 -4.13 0.09 0.00 0.04 0.00 0.00 34.50 30.23 2dll s PRO 73 CO 0.28 -1.68 0.04 0.16 0.04 0.00 0.00 177.00 175.85 2dll s ASP 74 N 5.25 4.79 0.28 6.66 1.47 -1.26 -4.99 116.67 128.87 2dll s ASP 74 Ca 0.74 -1.99 0.02 0.00 1.18 0.00 0.00 52.55 52.51 2dll s ASP 74 Cb -0.21 -1.65 0.69 0.00 -0.34 0.00 0.00 42.92 41.41 2dll s ASP 74 CO 0.33 -0.37 1.69 -0.65 0.68 0.00 0.00 175.17 176.85 2dll h PRO 75 N 7.71 0.35 -0.99 2.11 0.11 -2.00 -0.68 132.00 138.61 2dll h PRO 75 Ca -0.08 -0.02 0.25 0.00 0.11 0.00 0.00 66.00 66.26 2dll h PRO 75 Cb 1.03 -0.08 -0.13 0.00 0.11 0.00 0.00 31.00 31.93 2dll h PRO 75 CO 0.53 0.23 0.56 -1.35 -0.21 0.00 0.00 178.00 177.77 2dll h PRO 76 N 0.36 0.51 -0.06 1.05 0.11 -1.98 0.18 132.00 132.18 2dll h PRO 76 Ca 0.54 -0.03 -0.01 0.00 0.11 0.00 0.00 66.00 66.60 2dll h PRO 76 Cb 1.01 -0.11 -0.00 0.00 0.11 0.00 0.00 31.00 32.00 2dll h PRO 76 CO -0.54 0.34 -0.01 1.15 -0.21 0.00 0.00 178.00 178.73 2dll h THR 77 N 0.52 1.29 -0.43 -1.15 2.02 -1.55 -0.10 112.91 113.52 2dll h THR 77 Ca 0.64 -0.91 -0.01 0.00 0.77 0.00 0.00 66.41 66.90 2dll h THR 77 Cb 1.25 1.80 -0.02 0.00 -1.74 0.00 0.00 68.15 69.43 2dll h THR 77 CO -0.50 0.25 0.24 -0.50 0.37 0.00 0.00 175.52 175.38 2dll h TRP 78 N -0.24 0.58 -0.18 3.16 6.55 -1.14 0.87 115.95 125.55 2dll h TRP 78 Ca 0.01 -0.01 -0.01 0.00 0.95 0.00 0.00 58.89 59.83 2dll h TRP 78 Cb 0.40 -0.19 -0.01 0.00 -0.86 0.00 0.00 29.16 28.51 2dll h TRP 78 CO 0.05 0.44 0.06 0.87 -1.05 0.00 0.00 178.44 178.81 2dll h LYS 79 N 0.56 0.28 -0.34 0.49 1.57 -0.71 -2.55 116.57 115.86 2dll h LYS 79 Ca 0.15 -0.06 -0.00 0.00 -1.87 0.00 0.00 60.65 58.87 2dll h LYS 79 Cb 0.04 -0.04 -0.02 0.00 0.08 0.00 0.00 32.23 32.29 2dll h LYS 79 CO -0.03 0.38 0.20 1.15 -0.57 0.00 0.00 179.45 180.58 2dll h THR 80 N 0.13 1.13 0.12 -0.16 2.02 -0.85 0.39 112.91 115.68 2dll h THR 80 Ca 0.06 -0.33 0.02 0.00 0.77 0.00 0.00 66.41 66.93 2dll h THR 80 Cb 0.21 0.72 -0.05 0.00 -1.74 0.00 0.00 68.15 67.29 2dll h THR 80 CO -0.00 0.13 -0.47 0.03 0.37 0.00 0.00 175.52 175.58 2dll h ARG 81 N 0.44 -0.68 0.26 6.66 2.47 -0.75 0.17 114.38 122.95 2dll h ARG 81 Ca 0.12 0.05 -0.01 0.00 -1.26 0.00 0.00 59.98 58.88 2dll h ARG 81 Cb 0.04 0.15 0.00 0.00 -1.65 0.00 0.00 29.97 28.52 2dll h ARG 81 CO -0.02 -0.45 -0.12 1.25 0.56 0.00 0.00 179.97 181.18 2dll h LEU 82 N -0.70 -0.29 -0.73 3.04 5.85 -1.40 -3.08 115.31 118.00 2dll h LEU 82 Ca 0.01 -0.18 0.14 0.00 0.84 0.00 0.00 57.88 58.69 2dll h LEU 82 Cb 0.72 0.08 -0.14 0.00 0.37 0.00 0.00 40.66 41.69 2dll h LEU 82 CO -0.27 0.03 -0.25 -0.09 -0.34 0.00 0.00 178.44 177.53 2dll h ARG 83 N -0.64 -0.05 -0.30 1.25 2.43 -0.10 0.11 114.38 117.07 2dll h ARG 83 Ca -0.04 0.00 0.07 0.00 -0.81 0.00 0.00 59.98 59.21 2dll h ARG 83 Cb 0.46 0.01 -0.08 0.00 -0.42 0.00 0.00 29.97 29.94 2dll h ARG 83 CO 0.06 -0.03 -0.29 0.00 -1.51 0.00 0.00 179.97 178.20 2dll h ALA 85 N 0.73 0.33 -0.21 0.00 0.00 -0.95 -1.72 119.26 117.44 2dll h ALA 85 Ca 0.15 0.00 0.06 0.00 0.00 0.00 0.00 54.91 55.12 2dll h ALA 85 Cb 0.51 -0.06 -0.01 0.00 0.00 0.00 0.00 17.79 18.23 2dll h ALA 85 CO -0.45 -0.24 0.95 1.25 0.00 0.00 0.00 179.25 180.76 2dll h LEU 86 N 0.31 0.00 0.00 0.00 5.85 -0.05 0.16 115.31 121.58 2dll h LEU 86 Ca 0.11 0.00 -0.22 0.00 0.84 0.00 0.00 57.88 58.61 2dll h LEU 86 Cb 0.01 0.00 -0.03 0.00 0.37 0.00 0.00 40.66 41.01 2dll h LEU 86 CO -0.06 0.00 -1.56 -3.20 -0.34 0.00 0.00 178.44 173.28 2dll n ASN 87 N -2.72 1.91 -0.25 1.25 2.85 -0.68 -4.36 115.26 113.26 2dll n ASN 87 Ca 0.04 0.39 0.30 0.00 -0.11 0.00 0.00 54.58 55.21 2dll n ASN 87 Cb 1.02 -0.83 0.70 0.00 1.24 0.00 0.00 39.78 41.92 2dll n ASN 87 CO 0.00 0.00 0.00 0.07 -2.11 0.00 0.00 177.26 175.22 2dll h LYS 88 N -1.00 0.06 -5.59 1.20 5.09 -0.46 -3.39 116.57 112.48 2dll h LYS 88 Ca -0.33 -0.00 -0.50 0.00 0.09 0.00 0.00 60.65 59.91 2dll h LYS 88 Cb 1.21 -0.01 -0.01 0.00 0.10 0.00 0.00 32.23 33.52 2dll h LYS 88 CO -0.20 0.04 1.62 -1.13 -2.09 0.00 0.00 179.45 177.69 2dll n SER 89 N -4.28 2.08 0.14 7.07 3.41 0.00 -4.78 113.62 117.27 2dll n SER 89 Ca 0.22 -0.24 0.02 0.00 -0.26 0.00 0.00 58.87 58.61 2dll n SER 89 Cb 1.06 -1.45 0.11 0.00 -0.26 0.00 0.00 64.21 63.67 2dll n SER 89 CO 0.00 0.00 0.00 -1.13 -0.16 0.00 0.00 175.04 173.75 2dll h ASN 90 N 17.25 0.00 0.00 4.04 -0.73 -1.91 -3.03 115.58 131.20 2dll h ASN 90 Ca -0.23 0.00 0.00 0.00 1.87 0.00 0.00 56.30 57.94 2dll h ASN 90 Cb 1.28 0.00 0.00 0.00 0.27 0.00 0.00 38.32 39.87 2dll h ASN 90 CO 1.16 0.56 0.00 -0.90 -0.37 0.00 0.00 177.43 177.88 2dll n ASP 91 N -3.38 0.07 -4.43 1.15 5.75 -1.26 -4.75 116.55 109.69 2dll n ASP 91 Ca 0.01 -1.82 -0.31 0.00 -0.01 0.00 0.00 54.79 52.66 2dll n ASP 91 Cb 0.69 -0.04 -0.13 0.00 -1.03 0.00 0.00 41.12 40.61 2dll n ASP 91 CO 0.00 0.00 0.00 -0.36 -0.11 0.00 0.00 177.20 176.73 2dll s PHE 92 N -1.92 2.54 0.01 2.11 0.40 -1.15 0.22 117.98 120.19 2dll s PHE 92 Ca 0.00 -0.27 0.03 0.00 -0.60 0.00 0.00 56.93 56.08 2dll s PHE 92 Cb 0.00 -1.50 -0.03 0.00 0.51 0.00 0.00 43.02 42.00 2dll s PHE 92 CO 0.00 0.19 -0.04 -2.00 0.70 0.00 0.00 175.22 174.07 2dll s GLU 93 N -1.17 2.61 -0.51 0.44 2.12 0.58 -4.84 118.70 117.94 2dll s GLU 93 Ca 0.13 -0.71 -0.25 0.00 0.36 0.00 0.00 54.97 54.50 2dll s GLU 93 Cb -0.10 -2.55 0.03 0.00 0.26 0.00 0.00 34.13 31.77 2dll s GLU 93 CO 0.03 0.60 0.95 -2.00 -0.54 0.00 0.00 175.26 174.31 2dll s GLU 94 N -1.55 3.45 -0.16 4.30 2.12 -1.26 -1.97 118.70 123.64 2dll s GLU 94 Ca 0.18 0.01 0.13 0.00 0.36 0.00 0.00 54.97 55.65 2dll s GLU 94 Cb -0.11 -3.98 0.67 0.00 0.26 0.00 0.00 34.13 30.96 2dll s GLU 94 CO 0.09 -1.36 1.54 1.28 -0.54 0.00 0.00 175.26 176.27 2dll n LEU 95 N 7.39 4.68 -0.42 2.70 4.77 -1.03 -4.59 117.00 130.50 2dll n LEU 95 Ca 0.05 -2.37 0.35 0.00 -0.03 0.00 0.00 56.01 54.00 2dll n LEU 95 Cb 0.48 -0.61 0.57 0.00 -2.33 0.00 0.00 43.42 41.53 2dll n LEU 95 CO 0.65 0.62 1.03 0.55 -1.33 0.00 0.00 177.39 178.91 2dll n VAL 96 N 0.69 -0.16 -0.30 4.08 3.14 -1.24 0.10 118.33 124.64 2dll n VAL 96 Ca 0.23 1.40 0.13 0.00 -2.96 0.00 0.00 64.34 63.14 2dll n VAL 96 Cb 0.95 -2.30 0.29 0.00 -1.06 0.00 0.00 33.84 31.73 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 0.24 0.00 1.45 5.08 -1.92 0.19 114.58 119.62 2dll h GLU 97 Ca 0.72 -0.01 -0.14 0.00 -1.00 0.00 0.00 59.36 58.92 2dll h GLU 97 Cb 2.46 -0.05 -0.02 0.00 0.50 0.00 0.00 28.75 31.63 2dll h GLU 97 CO -0.29 0.16 -1.21 0.00 -1.00 0.00 0.00 179.01 176.66 2dll h ARG 98 N 0.24 0.00 -6.57 2.33 3.08 0.28 -3.47 114.38 110.27 2dll h ARG 98 Ca 0.55 0.00 -0.59 0.00 0.07 0.00 0.00 59.98 60.01 2dll h ARG 98 Cb 1.10 0.00 0.11 0.00 0.08 0.00 0.00 29.97 31.26 2dll h ARG 98 CO -0.63 0.31 0.27 -1.13 -1.07 0.00 0.00 179.97 177.72 2dll n SER 99 N -2.94 1.83 -3.92 7.04 3.41 0.66 -4.91 113.62 114.80 2dll n SER 99 Ca -0.07 1.19 -0.30 0.00 -0.26 0.00 0.00 58.87 59.43 2dll n SER 99 Cb 0.80 -1.36 -0.15 0.00 -0.26 0.00 0.00 64.21 63.24 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 -1.65 1.43 -0.05 4.33 -1.52 -1.05 -4.94 119.66 116.20 2dll s GLN 100 Ca 0.58 -1.20 0.10 0.00 -1.95 0.00 0.00 55.36 52.90 2dll s GLN 100 Cb -0.65 -2.61 0.29 0.00 -0.22 0.00 0.00 33.01 29.81 2dll s GLN 100 CO 0.61 -0.74 1.23 1.28 -0.25 0.00 0.00 175.29 177.41 2dll n LEU 101 N 4.61 2.88 -0.23 2.90 4.77 -1.26 -1.59 117.00 129.07 2dll n LEU 101 Ca -0.07 -2.33 0.08 0.00 -0.03 0.00 0.00 56.01 53.66 2dll n LEU 101 Cb 0.43 -0.27 0.14 0.00 -2.33 0.00 0.00 43.42 41.39 2dll n LEU 101 CO 0.18 0.67 0.59 0.47 -1.33 0.00 0.00 177.39 177.96 2dll n ASP 102 N -0.12 2.60 -4.81 -1.43 8.00 -1.26 -4.84 116.55 114.69 2dll n ASP 102 Ca 0.12 -2.86 -0.30 0.00 0.71 0.00 0.00 54.79 52.46 2dll n ASP 102 Cb 0.51 -0.37 -0.05 0.00 -0.02 0.00 0.00 41.12 41.18 2dll n ASP 102 CO 0.00 0.00 0.00 0.27 -0.39 0.00 0.00 177.20 177.08 2dll s ILE 103 N -2.50 1.45 0.15 0.53 -0.00 -1.26 -5.04 121.20 114.53 2dll s ILE 103 Ca 0.28 -1.79 -0.31 0.00 -0.00 0.00 0.00 60.65 58.83 2dll s ILE 103 Cb 0.24 -2.24 -0.07 0.00 -0.00 0.00 0.00 42.46 40.39 2dll s ILE 103 CO 0.04 0.00 1.55 -1.28 -0.00 0.00 0.00 174.94 175.25 2dll h SER 104 N 1.15 -1.95 -3.61 4.36 0.87 -1.96 -3.32 113.55 109.09 2dll h SER 104 Ca -0.41 0.28 -0.69 0.00 -1.23 0.00 0.00 61.79 59.74 2dll h SER 104 Cb 1.30 0.84 -0.32 0.00 -0.44 0.00 0.00 62.40 63.78 2dll h SER 104 CO 0.68 -0.32 -0.60 -1.81 -0.53 0.00 0.00 176.83 174.25 2dll s ASP 105 N -5.27 5.17 0.58 6.23 1.01 -1.26 -5.10 116.67 118.04 2dll s ASP 105 Ca -0.13 -1.59 -0.18 0.00 0.71 0.00 0.00 52.55 51.36 2dll s ASP 105 Cb 0.10 -1.81 -0.04 0.00 1.01 0.00 0.00 42.92 42.19 2dll s ASP 105 CO 0.62 -0.41 1.12 -2.16 0.21 0.00 0.00 175.17 174.56 2dll s PRO 106 N 1.24 3.16 -0.09 8.23 0.04 -1.25 -4.90 135.00 141.43 2dll s PRO 106 Ca 0.02 1.53 -0.30 0.00 0.04 0.00 0.00 61.00 62.29 2dll s PRO 106 Cb -0.21 -1.99 0.11 0.00 0.04 0.00 0.00 34.50 32.45 2dll s PRO 106 CO -0.02 -0.99 0.88 1.52 0.04 0.00 0.00 177.00 178.43 2dll s TYR 107 N -1.97 -0.45 -0.18 0.56 1.13 -0.62 -2.00 117.35 113.81 2dll s TYR 107 Ca 0.71 0.68 -0.03 0.00 -1.41 0.00 0.00 57.07 57.02 2dll s TYR 107 Cb -0.23 0.46 -0.01 0.00 -1.10 0.00 0.00 41.96 41.08 2dll s TYR 107 CO 0.32 -0.47 -0.07 0.15 -2.51 0.00 0.00 175.55 172.97 2dll s LYS 108 N -1.58 3.44 0.10 -3.49 1.02 0.17 -2.53 119.74 116.86 2dll s LYS 108 Ca -0.03 -0.62 -0.11 0.00 0.02 0.00 0.00 55.97 55.22 2dll s LYS 108 Cb -0.00 -2.88 -0.06 0.00 -0.52 0.00 0.00 37.83 34.36 2dll s LYS 108 CO 0.02 0.00 0.45 0.08 -0.92 0.00 0.00 175.35 174.97 2dll s VAL 109 N 0.95 5.02 0.07 3.17 1.01 -1.26 -1.42 120.40 127.93 2dll s VAL 109 Ca -0.01 0.58 -0.07 0.00 0.00 0.00 0.00 61.98 62.48 2dll s VAL 109 Cb -0.15 -3.67 -0.01 0.00 0.00 0.00 0.00 36.38 32.55 2dll s VAL 109 CO 0.00 0.28 0.13 -0.31 0.00 0.00 0.00 175.10 175.21 2dll s TYR 110 N -1.41 0.21 -0.11 5.22 1.51 -1.06 -2.47 117.35 119.24 2dll s TYR 110 Ca 0.34 -0.61 0.02 0.00 -1.01 0.00 0.00 57.07 55.81 2dll s TYR 110 Cb -0.14 -0.13 0.01 0.00 -0.11 0.00 0.00 41.96 41.59 2dll s TYR 110 CO 0.18 -0.47 -0.19 0.50 -1.11 0.00 0.00 175.55 174.47 2dll s ARG 111 N -3.48 2.57 -0.60 -0.62 3.52 -0.83 -2.97 118.95 116.54 2dll s ARG 111 Ca 0.02 -0.70 -0.27 0.00 -0.13 0.00 0.00 55.73 54.65 2dll s ARG 111 Cb 0.04 -2.09 -0.00 0.00 -1.56 0.00 0.00 34.95 31.33 2dll s ARG 111 CO -0.09 0.00 1.65 0.42 -0.81 0.00 0.00 175.30 176.48 2dll s ILE 112 N 0.79 3.53 -0.14 4.11 1.01 -0.95 -0.30 121.20 129.23 2dll s ILE 112 Ca -0.10 0.37 -0.28 0.00 0.00 0.00 0.00 60.65 60.64 2dll s ILE 112 Cb -0.16 -4.20 -0.01 0.00 0.01 0.00 0.00 42.46 38.11 2dll s ILE 112 CO 0.01 -1.09 0.97 -0.69 0.00 0.00 0.00 174.94 174.14 2dll s VAL 113 N 7.63 4.79 0.75 2.92 1.01 0.60 -4.96 120.40 133.14 2dll s VAL 113 Ca 0.59 1.95 -0.13 0.00 0.00 0.00 0.00 61.98 64.40 2dll s VAL 113 Cb -0.12 -4.27 0.19 0.00 0.00 0.00 0.00 36.38 32.17 2dll s VAL 113 CO 0.22 -0.02 0.66 -0.81 0.00 0.00 0.00 175.10 175.15 2dll n PRO 114 N 5.29 -2.32 -0.11 2.72 -0.04 -1.26 -4.53 135.00 134.75 2dll n PRO 114 Ca 0.08 -1.06 -0.11 0.00 -0.04 0.00 0.00 63.50 62.37 2dll n PRO 114 Cb 0.48 -1.00 -0.03 0.00 -0.04 0.00 0.00 33.50 32.92 2dll n PRO 114 CO 0.00 0.00 0.00 1.05 -0.04 0.00 0.00 175.50 176.51 2dll h GLU 115 N 0.00 0.60 -6.37 0.54 4.11 -1.96 -3.45 114.58 108.05 2dll h GLU 115 Ca -0.25 -0.21 -0.61 0.00 0.07 0.00 0.00 59.36 58.36 2dll h GLU 115 Cb 0.76 -0.05 -0.13 0.00 0.50 0.00 0.00 28.75 29.84 2dll h GLU 115 CO 0.16 0.75 -0.70 -1.54 0.07 0.00 0.00 179.01 177.75 2dll s SER 116 N -6.15 4.36 0.25 3.06 1.04 -1.26 -5.15 113.70 109.85 2dll s SER 116 Ca -0.13 -0.58 0.10 0.00 0.48 0.00 0.00 55.95 55.82 2dll s SER 116 Cb 0.09 -0.77 -0.05 0.00 0.10 0.00 0.00 66.02 65.39 2dll s SER 116 CO 0.78 0.08 -0.17 -0.83 0.98 0.00 0.00 173.24 174.08 2dll s GLY 117 N -3.03 1.67 0.00 7.32 0.00 -1.26 -5.01 107.32 107.01 2dll s GLY 117 Ca 0.27 -1.78 0.09 0.00 0.00 0.00 0.00 44.72 43.29 2dll s GLY 117 CO 0.17 -1.87 0.97 -1.55 0.00 0.00 0.00 173.10 170.82 2dll n PRO 118 N -0.51 0.49 -4.21 2.90 -0.04 -1.26 -4.72 135.00 127.66 2dll n PRO 118 Ca -0.06 0.00 -0.27 0.00 -0.04 0.00 0.00 63.50 63.12 2dll n PRO 118 Cb 0.60 -1.28 -0.08 0.00 -0.04 0.00 0.00 33.50 32.70 2dll n PRO 118 CO 0.00 0.00 0.00 -1.12 -0.04 0.00 0.00 175.50 174.34 2dll s SER 119 N -1.79 4.71 -0.08 3.54 0.01 -1.26 -5.06 113.70 113.77 2dll s SER 119 Ca 0.13 -0.39 -0.20 0.00 1.31 0.00 0.00 55.95 56.80 2dll s SER 119 Cb 0.06 -0.99 -0.16 0.00 0.21 0.00 0.00 66.02 65.14 2dll s SER 119 CO 0.10 0.11 0.73 0.28 0.41 0.00 0.00 173.24 174.87 2dll h SER 120 N 2.90 -0.10 -0.01 2.44 0.02 -2.06 -3.53 113.55 113.22 2dll h SER 120 Ca -0.47 -0.47 0.00 0.00 -0.84 0.00 0.00 61.79 60.00 2dll h SER 120 Cb 1.19 0.03 0.00 0.00 0.14 0.00 0.00 62.40 63.76 2dll h SER 120 CO 0.57 0.56 0.00 0.61 -1.14 0.00 0.00 176.83 177.43