#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 2.72 0.07 1.61 0.01 -1.26 -5.07 113.70 111.78 2dll s SER 2 Ca 0.00 -1.12 -0.28 0.00 1.31 0.00 0.00 55.95 55.85 2dll s SER 2 Cb 0.00 -0.16 -0.14 0.00 0.21 0.00 0.00 66.02 65.93 2dll s SER 2 CO 0.00 -0.27 1.44 0.28 0.41 0.00 0.00 173.24 175.10 2dll h SER 3 N 2.38 -1.11 -0.75 2.44 0.02 -2.07 -3.38 113.55 111.09 2dll h SER 3 Ca -0.39 0.09 -0.31 0.00 -0.84 0.00 0.00 61.79 60.33 2dll h SER 3 Cb 1.23 0.37 -0.37 0.00 0.14 0.00 0.00 62.40 63.77 2dll h SER 3 CO 0.65 -0.53 -1.08 0.61 -1.14 0.00 0.00 176.83 175.34 2dll n GLY 4 N -1.45 1.57 3.59 -3.77 0.00 -1.26 -5.08 105.19 98.80 2dll n GLY 4 Ca -0.10 -1.10 -0.43 0.00 0.00 0.00 0.00 46.02 44.40 2dll n GLY 4 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 2dll s SER 5 N -3.05 6.62 -0.25 1.61 0.15 -1.26 -5.00 113.70 112.52 2dll s SER 5 Ca 0.26 0.43 -0.29 0.00 0.70 0.00 0.00 55.95 57.04 2dll s SER 5 Cb 0.42 -2.48 -0.01 0.00 -1.71 0.00 0.00 66.02 62.25 2dll s SER 5 CO 0.00 -0.98 1.38 -0.44 1.20 0.00 0.00 173.24 174.40 2dll s SER 6 N 2.09 6.64 0.48 5.45 0.01 -1.26 -4.93 113.70 122.18 2dll s SER 6 Ca 0.39 1.40 -0.22 0.00 1.31 0.00 0.00 55.95 58.83 2dll s SER 6 Cb -0.11 -2.54 -0.07 0.00 0.21 0.00 0.00 66.02 63.52 2dll s SER 6 CO 0.23 -1.07 1.19 -0.83 0.41 0.00 0.00 173.24 173.17 2dll s GLY 7 N 3.03 2.79 -0.12 3.44 0.00 -1.26 -5.05 107.32 110.15 2dll s GLY 7 Ca 0.60 0.99 -0.08 0.00 0.00 0.00 0.00 44.72 46.23 2dll s GLY 7 CO 0.23 1.45 0.29 0.54 0.00 0.00 0.00 173.10 175.61 2dll s LYS 8 N -2.77 0.29 -0.18 2.90 1.02 -1.26 -5.06 119.74 114.68 2dll s LYS 8 Ca 0.66 0.52 -0.14 0.00 0.02 0.00 0.00 55.97 57.03 2dll s LYS 8 Cb -0.30 0.00 -0.21 0.00 -0.52 0.00 0.00 37.83 36.80 2dll s LYS 8 CO 0.36 -0.12 0.21 -0.11 -0.92 0.00 0.00 175.35 174.78 2dll n LEU 9 N 3.75 2.22 -0.11 3.17 7.94 -1.26 -3.20 117.00 129.51 2dll n LEU 9 Ca -0.20 0.31 -0.08 0.00 -1.11 0.00 0.00 56.01 54.93 2dll n LEU 9 Cb 0.55 -1.02 -0.06 0.00 0.53 0.00 0.00 43.42 43.43 2dll n LEU 9 CO 0.14 0.55 0.50 -0.09 -1.11 0.00 0.00 177.39 177.38 2dll h ARG 10 N -0.54 -0.19 0.30 1.96 2.43 -1.99 0.21 114.38 116.56 2dll h ARG 10 Ca -0.42 0.01 -0.01 0.00 -0.81 0.00 0.00 59.98 58.75 2dll h ARG 10 Cb 1.64 0.04 0.00 0.00 -0.42 0.00 0.00 29.97 31.24 2dll h ARG 10 CO -0.10 -0.12 -0.14 0.37 -1.51 0.00 0.00 179.97 178.46 2dll h GLN 11 N -0.19 -0.38 -0.93 0.20 5.75 -1.99 -2.12 115.11 115.44 2dll h GLN 11 Ca 0.05 0.03 0.09 0.00 -0.15 0.00 0.00 58.65 58.67 2dll h GLN 11 Cb 0.33 0.09 -0.12 0.00 1.07 0.00 0.00 27.48 28.85 2dll h GLN 11 CO -0.39 -0.12 -0.57 2.35 -2.65 0.00 0.00 178.83 177.44 2dll h TRP 12 N -0.61 -1.82 0.72 3.99 7.01 -1.45 0.32 115.95 124.11 2dll h TRP 12 Ca -0.04 0.12 -0.03 0.00 2.11 0.00 0.00 58.89 61.05 2dll h TRP 12 Cb 0.44 0.92 -0.01 0.00 -2.10 0.00 0.00 29.16 28.41 2dll h TRP 12 CO -0.00 -0.39 -0.49 1.25 -2.79 0.00 0.00 178.44 176.02 2dll h LEU 13 N -0.05 -1.26 -1.01 0.65 5.85 -0.61 -2.38 115.31 116.51 2dll h LEU 13 Ca 0.16 0.08 0.34 0.00 0.84 0.00 0.00 57.88 59.30 2dll h LEU 13 Cb 0.44 0.38 -0.15 0.00 0.37 0.00 0.00 40.66 41.70 2dll h LEU 13 CO -0.90 -0.73 0.57 0.40 -0.34 0.00 0.00 178.44 177.44 2dll h ILE 14 N -1.15 0.25 -0.86 4.05 2.04 -0.60 0.76 117.51 122.02 2dll h ILE 14 Ca -0.09 -0.09 -0.01 0.00 1.00 0.00 0.00 64.86 65.66 2dll h ILE 14 Cb 0.93 -0.04 -0.04 0.00 -0.74 0.00 0.00 36.82 36.93 2dll h ILE 14 CO 0.07 0.05 0.48 -0.78 0.00 0.00 0.00 178.15 177.96 2dll h ASP 15 N 0.27 1.06 -0.56 1.72 1.82 0.09 -1.43 116.42 119.40 2dll h ASP 15 Ca 0.75 -0.09 -0.06 0.00 -0.39 0.00 0.00 57.03 57.24 2dll h ASP 15 Cb 1.77 -0.27 -0.03 0.00 0.68 0.00 0.00 39.33 41.49 2dll h ASP 15 CO -0.63 0.85 0.13 1.56 -1.61 0.00 0.00 179.24 179.54 2dll h GLN 16 N 1.19 0.94 -0.01 0.28 1.08 0.89 -2.52 115.11 116.96 2dll h GLN 16 Ca 0.30 -0.21 -0.00 0.00 -1.45 0.00 0.00 58.65 57.29 2dll h GLN 16 Cb 0.01 -0.13 -0.00 0.00 -0.05 0.00 0.00 27.48 27.31 2dll h GLN 16 CO -0.05 0.85 -0.00 0.82 -0.95 0.00 0.00 178.83 179.50 2dll h ILE 17 N 0.90 1.28 -0.06 2.54 2.04 -0.90 -2.66 117.51 120.65 2dll h ILE 17 Ca 0.19 -0.83 0.04 0.00 1.00 0.00 0.00 64.86 65.26 2dll h ILE 17 Cb 0.35 1.83 -0.06 0.00 -0.74 0.00 0.00 36.82 38.20 2dll h ILE 17 CO 0.00 0.22 -0.35 -0.78 0.00 0.00 0.00 178.15 177.24 2dll h ASP 18 N -0.33 -1.07 -0.73 1.72 3.58 -1.19 -0.39 116.42 118.00 2dll h ASP 18 Ca 0.00 0.14 0.16 0.00 0.42 0.00 0.00 57.03 57.76 2dll h ASP 18 Cb 0.35 0.44 -0.05 0.00 1.72 0.00 0.00 39.33 41.80 2dll h ASP 18 CO 0.00 -0.40 0.50 0.77 -2.88 0.00 0.00 179.24 177.23 2dll h SER 19 N -0.47 0.30 -2.16 2.28 4.64 -1.49 -3.45 113.55 113.19 2dll h SER 19 Ca 0.07 0.02 -0.37 0.00 -0.47 0.00 0.00 61.79 61.04 2dll h SER 19 Cb 0.58 -0.04 -0.06 0.00 -0.31 0.00 0.00 62.40 62.58 2dll h SER 19 CO -0.32 0.15 -0.44 0.61 -0.87 0.00 0.00 176.83 175.96 2dll n GLY 20 N -1.55 0.22 0.26 -0.77 0.00 -0.16 -4.88 105.19 98.31 2dll n GLY 20 Ca 0.14 -0.11 -0.11 0.00 0.00 0.00 0.00 46.02 45.94 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 0.85 -6.34 1.61 1.57 -1.85 -3.43 116.57 108.97 2dll h LYS 21 Ca -0.43 -0.43 -0.56 0.00 -1.87 0.00 0.00 60.65 57.36 2dll h LYS 21 Cb 1.30 0.01 -0.04 0.00 0.08 0.00 0.00 32.23 33.58 2dll h LYS 21 CO 0.53 1.07 0.02 0.71 -0.57 0.00 0.00 179.45 181.21 2dll s TYR 22 N -4.38 3.78 0.44 -1.35 1.51 -1.26 -5.05 117.35 111.03 2dll s TYR 22 Ca -0.10 1.33 -0.24 0.00 -1.01 0.00 0.00 57.07 57.05 2dll s TYR 22 Cb 0.12 -2.55 -0.08 0.00 -0.11 0.00 0.00 41.96 39.34 2dll s TYR 22 CO 0.87 0.52 1.17 -1.25 -1.11 0.00 0.00 175.55 175.75 2dll s PRO 23 N -1.34 3.87 0.00 -1.71 0.04 -1.26 -3.45 135.00 131.16 2dll s PRO 23 Ca 0.33 1.82 0.00 0.00 0.04 0.00 0.00 61.00 63.19 2dll s PRO 23 Cb -0.19 -2.52 0.00 0.00 0.04 0.00 0.00 34.50 31.83 2dll s PRO 23 CO 0.21 -0.47 0.00 0.41 0.04 0.00 0.00 177.00 177.19 2dll n GLY 24 N 0.52 1.87 3.56 0.56 0.00 -1.26 -4.66 105.19 105.78 2dll n GLY 24 Ca 0.06 -0.31 -0.39 0.00 0.00 0.00 0.00 46.02 45.38 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 -0.06 0.99 2.96 -1.22 -4.49 118.68 120.22 2dll s LEU 25 Ca 0.00 0.69 -0.15 0.00 -0.22 0.00 0.00 54.13 54.45 2dll s LEU 25 Cb 0.00 -2.77 0.03 0.00 0.50 0.00 0.00 46.19 43.95 2dll s LEU 25 CO 0.00 -2.30 0.35 0.68 -1.32 0.00 0.00 176.35 173.77 2dll s VAL 26 N 9.04 0.03 -0.45 1.68 -7.23 -1.21 -4.70 120.40 117.56 2dll s VAL 26 Ca 0.75 -0.28 -0.29 0.00 -1.81 0.00 0.00 61.98 60.36 2dll s VAL 26 Cb -0.16 -0.60 0.02 0.00 0.56 0.00 0.00 36.38 36.20 2dll s VAL 26 CO 0.25 -0.15 1.30 0.26 -0.31 0.00 0.00 175.10 176.44 2dll s TRP 27 N -0.77 2.56 0.53 2.82 0.52 -1.26 -1.75 118.94 121.58 2dll s TRP 27 Ca -0.09 0.67 0.24 0.00 0.02 0.00 0.00 56.10 56.95 2dll s TRP 27 Cb -0.04 -4.38 1.38 0.00 -1.15 0.00 0.00 33.47 29.28 2dll s TRP 27 CO 0.03 -1.69 2.01 0.93 0.02 0.00 0.00 176.95 178.25 2dll h GLU 28 N 10.12 0.01 -6.29 4.98 5.08 -1.01 -3.42 114.58 124.05 2dll h GLU 28 Ca -0.26 -0.00 -0.59 0.00 -1.00 0.00 0.00 59.36 57.52 2dll h GLU 28 Cb 1.09 -0.00 -0.19 0.00 0.50 0.00 0.00 28.75 30.14 2dll h GLU 28 CO 1.11 0.00 -0.81 0.54 -1.00 0.00 0.00 179.01 178.85 2dll s ASN 29 N -6.32 2.93 0.37 1.42 2.20 -1.22 -5.03 114.94 109.29 2dll s ASN 29 Ca -0.05 -0.81 0.10 0.00 -0.94 0.00 0.00 52.86 51.16 2dll s ASN 29 Cb 0.19 -0.19 0.73 0.00 -2.00 0.00 0.00 41.25 39.99 2dll s ASN 29 CO 0.72 0.06 1.87 -0.33 -2.94 0.00 0.00 177.10 176.48 2dll h GLU 30 N 3.51 0.20 0.00 3.55 5.08 -1.93 -2.28 114.58 122.70 2dll h GLU 30 Ca -0.45 -0.06 0.00 0.00 -1.00 0.00 0.00 59.36 57.85 2dll h GLU 30 Cb 1.20 -0.02 0.00 0.00 0.50 0.00 0.00 28.75 30.42 2dll h GLU 30 CO 0.46 0.40 0.19 -0.85 -1.00 0.00 0.00 179.01 178.22 2dll n GLU 31 N -4.22 0.09 -3.02 2.33 0.28 -1.26 -4.78 120.64 110.07 2dll n GLU 31 Ca -0.01 0.56 -0.20 0.00 -0.16 0.00 0.00 57.16 57.35 2dll n GLU 31 Cb 0.32 -1.99 0.04 0.00 1.43 0.00 0.00 31.44 31.24 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 -2.00 -4.78 -0.07 3.44 4.76 -0.86 -4.90 118.16 113.74 2dll n LYS 32 Ca -0.01 0.78 -0.09 0.00 -2.87 0.00 0.00 58.31 56.12 2dll n LYS 32 Cb 0.21 -5.41 -0.08 0.00 -1.84 0.00 0.00 35.03 27.92 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 -2.04 2.65 -4.57 4.39 7.64 -1.26 -5.00 113.62 115.43 2dll n SER 33 Ca -0.08 -0.06 -0.34 0.00 1.01 0.00 0.00 58.87 59.40 2dll n SER 33 Cb 0.60 -0.00 -0.11 0.00 -1.01 0.00 0.00 64.21 63.68 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 -2.30 3.65 0.19 0.44 1.01 -1.26 -2.73 121.20 120.20 2dll s ILE 34 Ca -0.17 -0.50 -0.06 0.00 0.00 0.00 0.00 60.65 59.92 2dll s ILE 34 Cb 0.05 -2.49 -0.02 0.00 0.01 0.00 0.00 42.46 40.01 2dll s ILE 34 CO 0.38 0.60 0.25 0.72 0.00 0.00 0.00 174.94 176.89 2dll s PHE 35 N -0.79 0.69 -0.02 3.97 -0.71 -1.21 -0.35 117.98 119.55 2dll s PHE 35 Ca 0.12 -1.01 0.07 0.00 -1.04 0.00 0.00 56.93 55.07 2dll s PHE 35 Cb -0.11 -0.21 -0.02 0.00 -1.21 0.00 0.00 43.02 41.47 2dll s PHE 35 CO 0.01 -0.73 -0.24 -0.98 -1.34 0.00 0.00 175.22 171.94 2dll s ARG 36 N -4.05 1.99 -0.08 1.99 1.70 -0.72 -1.89 118.95 117.89 2dll s ARG 36 Ca 0.26 -0.86 0.04 0.00 -0.47 0.00 0.00 55.73 54.70 2dll s ARG 36 Cb 0.04 -1.90 -0.01 0.00 -0.57 0.00 0.00 34.95 32.51 2dll s ARG 36 CO 0.06 0.50 -0.19 -1.50 -1.08 0.00 0.00 175.30 173.09 2dll s ILE 37 N -0.52 2.59 -0.30 4.99 2.07 -0.19 -3.35 121.20 126.49 2dll s ILE 37 Ca 0.08 -0.86 -0.29 0.00 -1.41 0.00 0.00 60.65 58.17 2dll s ILE 37 Cb -0.10 -2.01 -0.02 0.00 0.13 0.00 0.00 42.46 40.47 2dll s ILE 37 CO -0.01 0.56 1.66 -2.16 -1.91 0.00 0.00 174.94 173.09 2dll s PRO 38 N -0.13 3.55 -0.39 3.50 0.04 -1.26 0.24 135.00 140.55 2dll s PRO 38 Ca -0.03 1.43 -0.03 0.00 0.04 0.00 0.00 61.00 62.42 2dll s PRO 38 Cb -0.14 -4.11 0.10 0.00 0.04 0.00 0.00 34.50 30.39 2dll s PRO 38 CO 0.04 -1.59 0.17 -0.46 0.04 0.00 0.00 177.00 175.19 2dll s TRP 39 N 6.00 3.53 0.24 0.56 -0.11 0.21 -4.92 118.94 124.45 2dll s TRP 39 Ca 0.74 -2.29 0.11 0.00 1.22 0.00 0.00 56.10 55.87 2dll s TRP 39 Cb -0.22 -3.01 -0.05 0.00 -1.50 0.00 0.00 33.47 28.69 2dll s TRP 39 CO 0.32 -0.94 -0.19 0.15 -4.62 0.00 0.00 176.95 171.67 2dll s LYS 40 N 1.17 1.54 0.21 5.86 1.02 -1.26 -4.33 119.74 123.96 2dll s LYS 40 Ca 0.06 -1.67 0.10 0.00 0.02 0.00 0.00 55.97 54.48 2dll s LYS 40 Cb -0.22 -1.59 -0.04 0.00 -0.52 0.00 0.00 37.83 35.46 2dll s LYS 40 CO -0.03 0.30 -0.10 -1.58 -0.92 0.00 0.00 175.35 173.01 2dll s HIS 41 N -2.48 2.57 0.26 3.18 5.65 -1.26 -5.01 115.29 118.20 2dll s HIS 41 Ca 0.26 -0.25 0.02 0.00 0.25 0.00 0.00 55.06 55.34 2dll s HIS 41 Cb -0.04 -1.22 0.65 0.00 -1.18 0.00 0.00 32.58 30.78 2dll s HIS 41 CO 0.12 0.56 1.29 0.00 -0.65 0.00 0.00 174.74 176.05 2dll n ALA 42 N -0.20 0.44 -0.29 1.58 0.00 -1.26 -0.84 120.51 119.94 2dll n ALA 42 Ca -0.09 0.88 -0.07 0.00 0.00 0.00 0.00 53.44 54.15 2dll n ALA 42 Cb 0.57 -0.65 -0.06 0.00 0.00 0.00 0.00 19.45 19.31 2dll n ALA 42 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 2dll n GLY 43 N -1.41 -1.77 3.78 0.00 0.00 -1.26 -4.31 105.19 100.22 2dll n GLY 43 Ca 0.20 0.82 -0.41 0.00 0.00 0.00 0.00 46.02 46.63 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 -5.37 4.19 -0.09 1.61 1.02 -0.02 -4.94 119.74 116.14 2dll s LYS 44 Ca -0.08 2.43 0.02 0.00 0.02 0.00 0.00 55.97 58.36 2dll s LYS 44 Cb 0.08 -3.00 -0.07 0.00 -0.52 0.00 0.00 37.83 34.33 2dll s LYS 44 CO 0.44 -0.41 -0.06 1.04 -0.92 0.00 0.00 175.35 175.44 2dll n GLN 45 N 0.56 0.89 -0.43 1.68 1.13 -1.26 -4.59 117.38 115.35 2dll n GLN 45 Ca 0.01 0.04 0.36 0.00 -1.94 0.00 0.00 57.00 55.47 2dll n GLN 45 Cb 0.40 -1.19 0.68 0.00 0.11 0.00 0.00 30.24 30.24 2dll n GLN 45 CO 0.00 0.00 0.00 -0.44 -1.44 0.00 0.00 177.06 175.18 2dll h ASP 46 N 0.00 0.18 -2.27 1.08 3.32 -1.96 -3.41 116.42 113.36 2dll h ASP 46 Ca -0.21 0.06 -0.35 0.00 0.02 0.00 0.00 57.03 56.56 2dll h ASP 46 Cb 1.36 0.04 0.19 0.00 0.22 0.00 0.00 39.33 41.14 2dll h ASP 46 CO -0.02 -0.04 -0.61 0.00 -1.72 0.00 0.00 179.24 176.85 2dll n TYR 47 N -4.40 -2.11 -4.35 4.55 4.11 -1.26 -5.01 117.16 108.68 2dll n TYR 47 Ca 0.33 -0.06 -0.28 0.00 -0.00 0.00 0.00 57.90 57.89 2dll n TYR 47 Cb 1.37 -1.46 -0.17 0.00 -0.00 0.00 0.00 39.34 39.08 2dll n TYR 47 CO 0.00 0.00 0.00 -0.80 -0.00 0.00 0.00 176.86 176.06 2dll s ASN 48 N -2.08 2.29 0.04 9.48 -0.87 -1.26 -5.03 114.94 117.52 2dll s ASN 48 Ca 0.50 -0.39 -0.20 0.00 -1.57 0.00 0.00 52.86 51.20 2dll s ASN 48 Cb -0.10 -1.01 -0.13 0.00 -0.02 0.00 0.00 41.25 39.99 2dll s ASN 48 CO 0.52 -0.01 1.38 0.03 -2.57 0.00 0.00 177.10 176.45 2dll h ARG 49 N 7.51 0.34 -0.21 -0.60 3.08 -1.95 -1.02 114.38 121.54 2dll h ARG 49 Ca -0.31 -0.16 -0.02 0.00 0.07 0.00 0.00 59.98 59.56 2dll h ARG 49 Cb 1.17 -0.00 -0.01 0.00 0.08 0.00 0.00 29.97 31.20 2dll h ARG 49 CO 0.48 0.68 0.07 1.49 -1.07 0.00 0.00 179.97 181.61 2dll h GLU 50 N -0.01 0.33 0.82 0.04 4.57 -1.96 0.27 114.58 118.64 2dll h GLU 50 Ca 0.03 -0.07 -0.04 0.00 -1.18 0.00 0.00 59.36 58.10 2dll h GLU 50 Cb 0.59 -0.05 0.01 0.00 -0.16 0.00 0.00 28.75 29.14 2dll h GLU 50 CO 0.03 0.41 -0.39 0.93 -1.18 0.00 0.00 179.01 178.80 2dll h GLU 51 N 0.18 -1.06 -0.92 1.92 5.08 -1.99 0.54 114.58 118.34 2dll h GLU 51 Ca 0.07 0.07 0.08 0.00 -1.00 0.00 0.00 59.36 58.58 2dll h GLU 51 Cb 0.22 0.24 -0.06 0.00 0.50 0.00 0.00 28.75 29.64 2dll h GLU 51 CO -0.00 -0.70 0.59 0.22 -1.00 0.00 0.00 179.01 178.11 2dll h ASP 52 N -1.15 0.89 -0.04 1.42 1.82 -1.24 -1.44 116.42 116.69 2dll h ASP 52 Ca -0.11 0.01 -0.14 0.00 -0.39 0.00 0.00 57.03 56.40 2dll h ASP 52 Cb 0.84 -0.18 -0.01 0.00 0.68 0.00 0.00 39.33 40.67 2dll h ASP 52 CO 0.18 0.55 -0.42 0.00 -1.61 0.00 0.00 179.24 177.95 2dll h ALA 53 N 1.52 0.83 -0.92 -0.78 0.00 -0.34 -3.25 119.26 116.31 2dll h ALA 53 Ca 0.41 -0.45 0.14 0.00 0.00 0.00 0.00 54.91 55.01 2dll h ALA 53 Cb 0.27 -0.10 -0.15 0.00 0.00 0.00 0.00 17.79 17.80 2dll h ALA 53 CO -0.16 0.65 -0.36 0.00 0.00 0.00 0.00 179.25 179.38 2dll n ALA 54 N -2.51 -0.11 0.26 0.00 0.00 0.19 0.80 120.51 119.13 2dll n ALA 54 Ca -0.02 0.92 -0.16 0.00 0.00 0.00 0.00 53.44 54.18 2dll n ALA 54 Cb 0.53 -0.41 -0.08 0.00 0.00 0.00 0.00 19.45 19.49 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 -0.78 0.26 0.00 5.85 -1.64 -2.11 115.31 116.88 2dll h LEU 55 Ca 0.32 0.05 -0.01 0.00 0.84 0.00 0.00 57.88 59.08 2dll h LEU 55 Cb 0.55 0.24 -0.00 0.00 0.37 0.00 0.00 40.66 41.82 2dll h LEU 55 CO -0.91 -0.47 -0.16 -0.26 -0.34 0.00 0.00 178.44 176.30 2dll h PHE 56 N -0.72 -0.42 -0.77 1.25 0.04 -0.92 -2.68 116.94 112.72 2dll h PHE 56 Ca -0.04 -0.00 0.21 0.00 2.80 0.00 0.00 57.97 60.93 2dll h PHE 56 Cb 0.61 0.15 -0.14 0.00 2.20 0.00 0.00 35.95 38.77 2dll h PHE 56 CO -0.12 -0.24 0.00 1.17 -0.60 0.00 0.00 178.31 178.52 2dll n LYS 57 N -3.23 -0.06 -0.10 1.51 4.81 0.24 0.17 118.16 121.50 2dll n LYS 57 Ca -0.05 1.15 -0.06 0.00 -0.87 0.00 0.00 58.31 58.48 2dll n LYS 57 Cb 0.16 -1.82 0.01 0.00 0.02 0.00 0.00 35.03 33.40 2dll n LYS 57 CO 0.00 0.00 0.00 0.00 1.17 0.00 0.00 177.40 178.57 2dll h ALA 58 N 1.53 0.38 -0.52 3.14 0.00 -1.16 -2.31 119.26 120.32 2dll h ALA 58 Ca 0.46 0.05 0.09 0.00 0.00 0.00 0.00 54.91 55.52 2dll h ALA 58 Cb 0.93 0.05 -0.07 0.00 0.00 0.00 0.00 17.79 18.70 2dll h ALA 58 CO -0.72 -0.31 0.09 2.35 0.00 0.00 0.00 179.25 180.66 2dll h TRP 59 N 0.23 0.14 -0.09 0.00 2.91 0.21 0.14 115.95 119.48 2dll h TRP 59 Ca 0.16 0.03 0.03 0.00 1.13 0.00 0.00 58.89 60.25 2dll h TRP 59 Cb 0.16 0.02 -0.04 0.00 -0.51 0.00 0.00 29.16 28.79 2dll h TRP 59 CO -0.16 -0.03 -0.12 0.00 -1.03 0.00 0.00 178.44 177.09 2dll h ALA 60 N 1.42 -0.07 0.77 2.65 0.00 -0.99 -2.78 119.26 120.26 2dll h ALA 60 Ca 0.26 0.04 -0.04 0.00 0.00 0.00 0.00 54.91 55.17 2dll h ALA 60 Cb 0.37 0.24 0.01 0.00 0.00 0.00 0.00 17.79 18.41 2dll h ALA 60 CO -0.36 -0.59 -0.37 -0.07 0.00 0.00 0.00 179.25 177.87 2dll h LEU 61 N -0.17 -0.87 -0.41 0.00 3.38 -0.88 0.28 115.31 116.64 2dll h LEU 61 Ca 0.07 0.02 0.04 0.00 0.09 0.00 0.00 57.88 58.10 2dll h LEU 61 Cb 0.27 0.23 -0.05 0.00 0.09 0.00 0.00 40.66 41.20 2dll h LEU 61 CO -0.19 -0.59 -0.24 0.33 0.09 0.00 0.00 178.44 177.84 2dll n PHE 62 N -5.51 -0.18 0.12 1.13 7.35 0.42 -0.34 117.46 120.45 2dll n PHE 62 Ca -0.14 0.52 -0.13 0.00 -0.76 0.00 0.00 57.45 56.93 2dll n PHE 62 Cb 0.42 -0.47 -0.06 0.00 0.35 0.00 0.00 39.48 39.72 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 -0.49 0.00 -4.13 1.79 -1.51 -3.40 116.57 108.83 2dll h LYS 63 Ca 0.07 0.03 0.00 0.00 -2.18 0.00 0.00 60.65 58.57 2dll h LYS 63 Cb 0.17 0.11 0.00 0.00 -1.58 0.00 0.00 32.23 30.93 2dll h LYS 63 CO -0.39 -0.33 0.00 0.41 -1.08 0.00 0.00 179.45 178.06 2dll n GLY 64 N -1.39 0.51 0.12 3.86 0.00 0.54 -4.49 105.19 104.33 2dll n GLY 64 Ca -0.07 0.00 -0.16 0.00 0.00 0.00 0.00 46.02 45.80 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 0.00 0.69 -4.39 1.61 4.01 0.02 -4.92 118.16 115.17 2dll n LYS 65 Ca 0.00 0.19 -0.35 0.00 -0.51 0.00 0.00 58.31 57.64 2dll n LYS 65 Cb 0.00 -1.64 -0.10 0.00 -0.51 0.00 0.00 35.03 32.78 2dll n LYS 65 CO 0.00 0.00 0.00 0.12 -1.11 0.00 0.00 177.40 176.41 2dll s PHE 66 N -2.54 3.12 -0.17 2.13 5.36 -1.24 -4.85 117.98 119.80 2dll s PHE 66 Ca -0.20 0.13 0.11 0.00 -0.96 0.00 0.00 56.93 56.01 2dll s PHE 66 Cb 0.07 -1.80 0.21 0.00 -0.34 0.00 0.00 43.02 41.17 2dll s PHE 66 CO 0.75 0.40 1.14 -2.13 -1.46 0.00 0.00 175.22 173.91 2dll n ARG 67 N 2.32 2.26 -3.86 10.12 3.00 -1.26 -4.60 116.66 124.63 2dll n ARG 67 Ca -0.18 -2.17 -0.27 0.00 -0.00 0.00 0.00 57.85 55.23 2dll n ARG 67 Cb 0.53 -1.34 0.02 0.00 0.00 0.00 0.00 32.46 31.68 2dll n ARG 67 CO 0.00 0.00 0.00 -1.91 0.00 0.00 0.00 177.63 175.72 2dll n GLU 68 N -0.79 -5.05 0.00 -0.14 2.13 -1.26 -4.26 120.64 111.27 2dll n GLU 68 Ca 0.10 0.58 0.00 0.00 0.66 0.00 0.00 57.16 58.50 2dll n GLU 68 Cb 0.51 -5.29 0.00 0.00 0.27 0.00 0.00 31.44 26.93 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 -1.67 -0.60 0.24 8.31 0.00 -1.26 -4.98 105.19 105.23 2dll n GLY 69 Ca -0.10 0.35 0.01 0.00 0.00 0.00 0.00 46.02 46.28 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 0.45 -2.41 -0.61 2.04 -1.99 -3.42 117.51 111.57 2dll h ILE 70 Ca 0.00 -0.03 -0.44 0.00 1.00 0.00 0.00 64.86 65.39 2dll h ILE 70 Cb 0.00 0.35 0.05 0.00 -0.74 0.00 0.00 36.82 36.48 2dll h ILE 70 CO 0.00 0.02 -0.03 -1.81 0.00 0.00 0.00 178.15 176.33 2dll s ASP 71 N -5.23 5.19 -0.21 1.72 1.11 -1.26 -5.03 116.67 112.96 2dll s ASP 71 Ca -0.14 -0.08 -0.11 0.00 0.18 0.00 0.00 52.55 52.40 2dll s ASP 71 Cb 0.19 -0.76 -0.05 0.00 1.07 0.00 0.00 42.92 43.38 2dll s ASP 71 CO 0.74 -1.21 0.19 -0.75 1.18 0.00 0.00 175.17 175.32 2dll s LYS 72 N -4.79 4.15 -0.53 8.23 2.47 -1.26 -4.80 119.74 123.21 2dll s LYS 72 Ca 0.58 -0.16 -0.27 0.00 -1.56 0.00 0.00 55.97 54.56 2dll s LYS 72 Cb -0.10 -3.48 -0.02 0.00 -1.46 0.00 0.00 37.83 32.77 2dll s LYS 72 CO 0.39 0.16 1.81 -1.25 0.16 0.00 0.00 175.35 176.62 2dll s PRO 73 N 0.76 2.87 -0.30 4.03 0.04 -1.26 -4.95 135.00 136.20 2dll s PRO 73 Ca 0.10 0.84 0.01 0.00 0.04 0.00 0.00 61.00 61.99 2dll s PRO 73 Cb -0.13 -4.31 0.09 0.00 0.04 0.00 0.00 34.50 30.19 2dll s PRO 73 CO 0.02 -2.43 0.06 -0.51 0.04 0.00 0.00 177.00 174.19 2dll s ASP 74 N 7.29 4.14 0.28 6.66 1.01 -1.26 -5.00 116.67 129.78 2dll s ASP 74 Ca 0.70 -1.66 0.02 0.00 0.71 0.00 0.00 52.55 52.32 2dll s ASP 74 Cb -0.15 -1.09 0.69 0.00 1.01 0.00 0.00 42.92 43.37 2dll s ASP 74 CO 0.25 -0.37 1.69 -0.65 0.21 0.00 0.00 175.17 176.30 2dll h PRO 75 N 7.95 0.36 -0.50 8.23 0.11 -1.99 -1.81 132.00 144.35 2dll h PRO 75 Ca -0.12 -0.02 0.10 0.00 0.11 0.00 0.00 66.00 66.07 2dll h PRO 75 Cb 1.03 -0.08 -0.10 0.00 0.11 0.00 0.00 31.00 31.96 2dll h PRO 75 CO 0.47 0.24 -0.24 -1.35 -0.21 0.00 0.00 178.00 176.90 2dll h PRO 76 N 0.37 -0.12 -0.31 1.05 0.11 -1.99 0.11 132.00 131.22 2dll h PRO 76 Ca 0.54 0.01 -0.05 0.00 0.11 0.00 0.00 66.00 66.60 2dll h PRO 76 Cb 1.01 0.03 -0.01 0.00 0.11 0.00 0.00 31.00 32.13 2dll h PRO 76 CO -0.53 -0.08 -0.01 1.15 -0.21 0.00 0.00 178.00 178.32 2dll h THR 77 N -0.13 1.26 -0.65 -1.15 2.02 -1.78 -1.08 112.91 111.41 2dll h THR 77 Ca 0.23 -0.96 0.09 0.00 0.77 0.00 0.00 66.41 66.54 2dll h THR 77 Cb 0.49 1.28 -0.07 0.00 -1.74 0.00 0.00 68.15 68.11 2dll h THR 77 CO -0.58 0.31 0.30 -0.50 0.37 0.00 0.00 175.52 175.42 2dll h TRP 78 N 0.34 0.53 0.49 3.16 6.55 -0.88 -0.50 115.95 125.63 2dll h TRP 78 Ca 0.09 0.03 -0.02 0.00 0.95 0.00 0.00 58.89 59.93 2dll h TRP 78 Cb 0.45 -0.14 0.00 0.00 -0.86 0.00 0.00 29.16 28.61 2dll h TRP 78 CO 0.04 0.19 -0.24 -0.22 -1.05 0.00 0.00 178.44 177.16 2dll h LYS 79 N 0.52 -0.64 -0.93 0.49 3.64 -0.72 -3.11 116.57 115.84 2dll h LYS 79 Ca 0.32 0.04 0.27 0.00 -1.27 0.00 0.00 60.65 60.01 2dll h LYS 79 Cb 0.34 0.14 -0.15 0.00 -0.41 0.00 0.00 32.23 32.16 2dll h LYS 79 CO -0.27 -0.36 0.34 1.15 -2.27 0.00 0.00 179.45 178.04 2dll h THR 80 N -1.10 0.29 0.25 1.00 2.02 -1.05 0.24 112.91 114.56 2dll h THR 80 Ca -0.07 -0.08 0.01 0.00 0.77 0.00 0.00 66.41 67.04 2dll h THR 80 Cb 0.57 0.04 -0.03 0.00 -1.74 0.00 0.00 68.15 66.98 2dll h THR 80 CO 0.11 0.04 -0.39 0.03 0.37 0.00 0.00 175.52 175.69 2dll h ARG 81 N 0.23 -0.68 0.16 6.66 3.08 -1.10 -0.53 114.38 122.19 2dll h ARG 81 Ca 0.62 0.05 -0.01 0.00 0.07 0.00 0.00 59.98 60.71 2dll h ARG 81 Cb 1.32 0.15 0.00 0.00 0.08 0.00 0.00 29.97 31.53 2dll h ARG 81 CO -0.66 -0.45 -0.08 1.25 -1.07 0.00 0.00 179.97 178.96 2dll h LEU 82 N -0.71 -0.18 -0.89 3.04 5.85 -0.98 -0.96 115.31 120.48 2dll h LEU 82 Ca -0.00 -0.14 0.24 0.00 0.84 0.00 0.00 57.88 58.82 2dll h LEU 82 Cb 0.68 0.05 -0.14 0.00 0.37 0.00 0.00 40.66 41.61 2dll h LEU 82 CO -0.15 0.03 0.26 -0.09 -0.34 0.00 0.00 178.44 178.16 2dll h ARG 83 N -0.39 0.21 -0.03 1.25 2.43 -0.49 0.50 114.38 117.85 2dll h ARG 83 Ca -0.02 -0.01 -0.02 0.00 -0.81 0.00 0.00 59.98 59.11 2dll h ARG 83 Cb 0.31 -0.05 0.00 0.00 -0.42 0.00 0.00 29.97 29.81 2dll h ARG 83 CO 0.04 0.14 -0.06 0.00 -1.51 0.00 0.00 179.97 178.57 2dll h ALA 85 N 0.46 -1.17 -0.78 0.00 0.00 0.35 0.21 119.26 118.33 2dll h ALA 85 Ca 0.00 -0.18 0.17 0.00 0.00 0.00 0.00 54.91 54.90 2dll h ALA 85 Cb 0.63 0.45 -0.15 0.00 0.00 0.00 0.00 17.79 18.72 2dll h ALA 85 CO 0.01 -1.13 -0.15 -0.11 0.00 0.00 0.00 179.25 177.87 2dll n LEU 86 N -4.52 -0.24 -0.05 0.00 7.94 0.16 0.12 117.00 120.40 2dll n LEU 86 Ca -0.10 1.35 -0.14 0.00 -1.11 0.00 0.00 56.01 56.00 2dll n LEU 86 Cb 0.35 -0.43 -0.07 0.00 0.53 0.00 0.00 43.42 43.81 2dll n LEU 86 CO 0.24 -1.31 0.49 -1.13 -1.11 0.00 0.00 177.39 174.57 2dll h ASN 87 N 0.00 0.58 -0.92 1.96 -0.73 -1.50 -3.19 115.58 111.78 2dll h ASN 87 Ca 0.40 -0.56 0.13 0.00 1.87 0.00 0.00 56.30 58.14 2dll h ASN 87 Cb 0.66 -0.17 -0.09 0.00 0.27 0.00 0.00 38.32 39.00 2dll h ASN 87 CO -0.79 1.03 0.54 0.11 -0.37 0.00 0.00 177.43 177.95 2dll h LYS 88 N 0.16 0.80 -5.61 6.67 1.79 0.42 -3.39 116.57 117.41 2dll h LYS 88 Ca 0.00 -0.05 -0.50 0.00 -2.18 0.00 0.00 60.65 57.92 2dll h LYS 88 Cb 0.94 -0.18 -0.01 0.00 -1.58 0.00 0.00 32.23 31.40 2dll h LYS 88 CO 0.07 0.53 1.62 0.45 -1.08 0.00 0.00 179.45 181.04 2dll n SER 89 N -4.73 2.13 -0.17 0.86 2.88 0.85 -4.80 113.62 110.65 2dll n SER 89 Ca 0.18 -0.23 -0.05 0.00 -1.33 0.00 0.00 58.87 57.43 2dll n SER 89 Cb 0.38 -1.46 0.12 0.00 -0.75 0.00 0.00 64.21 62.50 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 17.25 0.89 0.00 -3.46 -1.07 -1.88 -1.96 115.58 125.35 2dll h ASN 90 Ca -0.24 -0.20 0.00 0.00 0.07 0.00 0.00 56.30 55.93 2dll h ASN 90 Cb 1.28 -0.24 0.00 0.00 -2.07 0.00 0.00 38.32 37.29 2dll h ASN 90 CO 1.15 0.90 0.08 0.47 0.07 0.00 0.00 177.43 180.11 2dll n ASP 91 N -4.23 0.27 -4.54 6.14 8.00 -1.26 -4.43 116.55 116.49 2dll n ASP 91 Ca 0.04 0.58 -0.34 0.00 0.71 0.00 0.00 54.79 55.78 2dll n ASP 91 Cb 0.28 -0.60 -0.11 0.00 -0.02 0.00 0.00 41.12 40.67 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 -3.20 3.03 0.16 1.24 0.40 -0.74 -1.11 117.98 117.76 2dll s PHE 92 Ca -0.01 -0.15 0.07 0.00 -0.60 0.00 0.00 56.93 56.23 2dll s PHE 92 Cb 0.03 -1.88 -0.04 0.00 0.51 0.00 0.00 43.02 41.64 2dll s PHE 92 CO 0.09 0.12 0.02 -2.00 0.70 0.00 0.00 175.22 174.15 2dll s GLU 93 N -0.07 2.49 -0.26 0.44 2.12 0.24 -4.90 118.70 118.76 2dll s GLU 93 Ca 0.02 -1.03 -0.04 0.00 0.36 0.00 0.00 54.97 54.28 2dll s GLU 93 Cb -0.13 -2.43 0.01 0.00 0.26 0.00 0.00 34.13 31.84 2dll s GLU 93 CO 0.03 0.47 0.01 -2.00 -0.54 0.00 0.00 175.26 173.23 2dll s GLU 94 N -2.84 3.07 -0.58 4.30 2.12 -1.26 0.10 118.70 123.60 2dll s GLU 94 Ca 0.27 -0.85 -0.20 0.00 0.36 0.00 0.00 54.97 54.56 2dll s GLU 94 Cb -0.10 -3.17 0.08 0.00 0.26 0.00 0.00 34.13 31.20 2dll s GLU 94 CO 0.19 -0.38 0.75 -0.51 -0.54 0.00 0.00 175.26 174.77 2dll s LEU 95 N 1.44 4.99 0.07 2.70 1.43 0.11 -4.89 118.68 124.53 2dll s LEU 95 Ca 0.02 -1.13 -0.08 0.00 -1.03 0.00 0.00 54.13 51.91 2dll s LEU 95 Cb -0.16 -2.40 -0.27 0.00 0.03 0.00 0.00 46.19 43.38 2dll s LEU 95 CO -0.01 -1.12 1.13 0.58 0.23 0.00 0.00 176.35 177.15 2dll h VAL 96 N 5.92 1.41 -1.13 -1.59 2.07 -1.94 -2.82 116.25 118.18 2dll h VAL 96 Ca -0.29 -2.82 0.32 0.00 0.82 0.00 0.00 66.70 64.74 2dll h VAL 96 Cb 1.09 2.87 -0.05 0.00 -1.52 0.00 0.00 31.29 33.67 2dll h VAL 96 CO 1.08 0.84 0.80 -0.33 0.02 0.00 0.00 177.57 179.98 2dll h GLU 97 N 0.14 0.04 0.00 1.57 5.08 -1.95 0.60 114.58 120.06 2dll h GLU 97 Ca -0.16 -0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.20 2dll h GLU 97 Cb 1.96 -0.01 0.00 0.00 0.50 0.00 0.00 28.75 31.20 2dll h GLU 97 CO 0.22 0.03 -1.48 0.54 -1.00 0.00 0.00 179.01 177.32 2dll n ARG 98 N -4.24 0.49 -1.76 2.33 1.74 -1.23 -4.96 116.66 109.03 2dll n ARG 98 Ca 0.25 -0.10 -0.42 0.00 -0.77 0.00 0.00 57.85 56.80 2dll n ARG 98 Cb 1.17 -1.48 -0.03 0.00 -1.02 0.00 0.00 32.46 31.10 2dll n ARG 98 CO 0.00 0.00 0.00 -1.54 -1.52 0.00 0.00 177.63 174.57 2dll s SER 99 N -3.70 6.44 -0.32 0.55 1.04 0.21 -4.68 113.70 113.24 2dll s SER 99 Ca -0.00 2.76 0.03 0.00 0.48 0.00 0.00 55.95 59.22 2dll s SER 99 Cb 0.14 -2.58 0.09 0.00 0.10 0.00 0.00 66.02 63.77 2dll s SER 99 CO 0.85 -0.97 0.03 -1.10 0.98 0.00 0.00 173.24 173.03 2dll s GLN 100 N 1.98 1.51 -0.06 4.02 -1.52 -0.17 -4.92 119.66 120.50 2dll s GLN 100 Ca 0.77 -1.66 0.09 0.00 -1.95 0.00 0.00 55.36 52.62 2dll s GLN 100 Cb -0.47 -2.99 0.21 0.00 -0.22 0.00 0.00 33.01 29.55 2dll s GLN 100 CO 0.34 -0.87 1.15 1.28 -0.25 0.00 0.00 175.29 176.94 2dll n LEU 101 N 4.37 2.55 -0.27 2.90 4.77 -1.26 0.05 117.00 130.11 2dll n LEU 101 Ca -0.00 -2.43 0.08 0.00 -0.03 0.00 0.00 56.01 53.63 2dll n LEU 101 Cb 0.42 -0.24 0.15 0.00 -2.33 0.00 0.00 43.42 41.42 2dll n LEU 101 CO 0.20 0.63 0.59 0.47 -1.33 0.00 0.00 177.39 177.95 2dll n ASP 102 N -0.53 2.68 -4.68 -1.43 9.92 -1.26 -4.79 116.55 116.45 2dll n ASP 102 Ca 0.10 -2.86 -0.27 0.00 -0.53 0.00 0.00 54.79 51.22 2dll n ASP 102 Cb 0.48 -0.38 -0.09 0.00 -0.64 0.00 0.00 41.12 40.48 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 -2.50 2.02 0.16 0.53 -0.00 -1.26 -5.03 121.20 115.12 2dll s ILE 103 Ca 0.29 -1.88 -0.17 0.00 -0.00 0.00 0.00 60.65 58.89 2dll s ILE 103 Cb 0.25 -2.90 0.10 0.00 -0.00 0.00 0.00 42.46 39.91 2dll s ILE 103 CO 0.05 0.00 1.21 -1.20 -0.00 0.00 0.00 174.94 174.99 2dll n SER 104 N -1.11 -0.62 -4.12 4.36 7.64 -1.26 -3.48 113.62 115.03 2dll n SER 104 Ca -0.05 1.37 -0.34 0.00 1.01 0.00 0.00 58.87 60.86 2dll n SER 104 Cb 0.66 -0.27 -0.13 0.00 -1.01 0.00 0.00 64.21 63.46 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 -5.32 4.92 0.31 6.43 1.11 -1.26 -5.10 116.67 117.76 2dll s ASP 105 Ca -0.10 -1.64 -0.29 0.00 0.18 0.00 0.00 52.55 50.69 2dll s ASP 105 Cb 0.13 -1.71 -0.10 0.00 1.07 0.00 0.00 42.92 42.31 2dll s ASP 105 CO 0.53 -0.35 1.23 -2.16 1.18 0.00 0.00 175.17 175.60 2dll s PRO 106 N 1.14 4.46 -0.12 8.23 0.04 -1.23 -4.87 135.00 142.66 2dll s PRO 106 Ca 0.01 2.06 -0.26 0.00 0.04 0.00 0.00 61.00 62.85 2dll s PRO 106 Cb -0.20 -3.12 0.06 0.00 0.04 0.00 0.00 34.50 31.28 2dll s PRO 106 CO -0.04 -0.04 0.62 1.52 0.04 0.00 0.00 177.00 179.11 2dll s TYR 107 N -1.11 -0.62 -0.17 0.56 1.13 0.11 -0.62 117.35 116.64 2dll s TYR 107 Ca 0.47 1.26 -0.05 0.00 -1.41 0.00 0.00 57.07 57.35 2dll s TYR 107 Cb -0.37 0.30 -0.03 0.00 -1.10 0.00 0.00 41.96 40.77 2dll s TYR 107 CO 0.48 -0.48 -0.00 0.15 -2.51 0.00 0.00 175.55 173.19 2dll s LYS 108 N -0.59 3.79 0.21 -3.49 1.02 0.14 -1.00 119.74 119.81 2dll s LYS 108 Ca -0.07 -0.45 -0.14 0.00 0.02 0.00 0.00 55.97 55.33 2dll s LYS 108 Cb -0.02 -3.03 -0.08 0.00 -0.52 0.00 0.00 37.83 34.18 2dll s LYS 108 CO 0.06 0.25 0.61 0.08 -0.92 0.00 0.00 175.35 175.43 2dll s VAL 109 N 0.36 4.80 0.27 3.17 1.01 -1.23 -1.02 120.40 127.75 2dll s VAL 109 Ca -0.01 0.82 0.01 0.00 0.00 0.00 0.00 61.98 62.80 2dll s VAL 109 Cb -0.13 -3.70 -0.05 0.00 0.00 0.00 0.00 36.38 32.49 2dll s VAL 109 CO 0.02 0.08 0.10 -0.31 0.00 0.00 0.00 175.10 174.99 2dll s TYR 110 N -1.66 1.56 -0.03 5.22 1.51 -0.79 0.05 117.35 123.21 2dll s TYR 110 Ca 0.44 -1.20 -0.01 0.00 -1.01 0.00 0.00 57.07 55.29 2dll s TYR 110 Cb -0.13 -0.91 0.03 0.00 -0.11 0.00 0.00 41.96 40.84 2dll s TYR 110 CO 0.20 -0.35 0.04 0.50 -1.11 0.00 0.00 175.55 174.83 2dll s ARG 111 N -4.01 -0.01 -0.61 -0.62 3.52 0.11 -3.34 118.95 114.00 2dll s ARG 111 Ca 0.37 0.26 -0.27 0.00 -0.13 0.00 0.00 55.73 55.97 2dll s ARG 111 Cb 0.08 -0.41 0.00 0.00 -1.56 0.00 0.00 34.95 33.06 2dll s ARG 111 CO 0.14 -0.24 1.57 0.42 -0.81 0.00 0.00 175.30 176.38 2dll s ILE 112 N 1.59 3.59 -0.03 4.11 1.01 -1.11 -0.59 121.20 129.78 2dll s ILE 112 Ca -0.02 0.43 -0.30 0.00 0.00 0.00 0.00 60.65 60.76 2dll s ILE 112 Cb -0.13 -4.32 -0.04 0.00 0.01 0.00 0.00 42.46 37.99 2dll s ILE 112 CO -0.03 -1.18 1.32 -0.69 0.00 0.00 0.00 174.94 174.36 2dll s VAL 113 N 7.14 3.95 1.21 2.92 1.01 -0.27 -4.97 120.40 131.40 2dll s VAL 113 Ca 0.56 1.30 -0.19 0.00 0.00 0.00 0.00 61.98 63.64 2dll s VAL 113 Cb -0.12 -3.83 0.29 0.00 0.00 0.00 0.00 36.38 32.72 2dll s VAL 113 CO 0.22 -0.01 1.11 -2.16 0.00 0.00 0.00 175.10 174.25 2dll s PRO 114 N 2.44 -1.28 0.21 2.72 0.04 -1.26 -4.76 135.00 133.12 2dll s PRO 114 Ca 0.60 -0.09 0.01 0.00 0.04 0.00 0.00 61.00 61.57 2dll s PRO 114 Cb -0.28 -1.59 -0.04 0.00 0.04 0.00 0.00 34.50 32.63 2dll s PRO 114 CO 0.24 -3.74 0.39 -1.83 0.04 0.00 0.00 177.00 172.09 2dll s GLU 115 N -5.42 3.49 0.70 4.56 -1.05 -1.26 -5.06 118.70 114.66 2dll s GLU 115 Ca 0.71 -0.44 -0.17 0.00 -0.15 0.00 0.00 54.97 54.92 2dll s GLU 115 Cb -0.09 -2.85 0.02 0.00 -0.44 0.00 0.00 34.13 30.76 2dll s GLU 115 CO 0.56 0.40 1.26 0.43 0.95 0.00 0.00 175.26 178.85 2dll n SER 116 N -0.87 1.72 -4.06 0.83 7.64 -1.26 -5.04 113.62 112.58 2dll n SER 116 Ca -0.06 0.76 -0.07 0.00 1.01 0.00 0.00 58.87 60.51 2dll n SER 116 Cb 0.55 -1.54 -0.10 0.00 -1.01 0.00 0.00 64.21 62.11 2dll n SER 116 CO 0.00 0.00 0.00 -0.83 -3.01 0.00 0.00 175.04 171.20 2dll s GLY 117 N -1.59 0.42 0.49 0.23 0.00 -1.26 -5.15 107.32 100.46 2dll s GLY 117 Ca 0.80 -1.11 -0.21 0.00 0.00 0.00 0.00 44.72 44.19 2dll s GLY 117 CO 0.43 -1.22 1.15 2.56 0.00 0.00 0.00 173.10 176.02 2dll s PRO 118 N -3.71 3.59 0.51 2.90 0.04 -1.26 -5.05 135.00 132.02 2dll s PRO 118 Ca 0.05 1.70 -0.02 0.00 0.04 0.00 0.00 61.00 62.78 2dll s PRO 118 Cb 0.06 -2.23 0.01 0.00 0.04 0.00 0.00 34.50 32.37 2dll s PRO 118 CO -0.09 -0.67 0.76 0.45 0.04 0.00 0.00 177.00 177.48 2dll s SER 119 N -1.54 5.67 0.31 6.66 0.15 -1.26 -5.09 113.70 118.60 2dll s SER 119 Ca 0.67 0.38 -0.11 0.00 0.70 0.00 0.00 55.95 57.59 2dll s SER 119 Cb -0.26 -1.49 -0.07 0.00 -1.71 0.00 0.00 66.02 62.48 2dll s SER 119 CO 0.31 -0.88 0.67 -0.94 1.20 0.00 0.00 173.24 173.60 2dll s SER 120 N -4.28 6.64 0.00 5.45 1.04 -1.26 -5.37 113.70 115.92 2dll s SER 120 Ca 0.51 1.09 0.16 0.00 0.48 0.00 0.00 55.95 58.20 2dll s SER 120 Cb -0.10 -2.30 0.98 0.00 0.10 0.00 0.00 66.02 64.70 2dll s SER 120 CO 0.40 -0.21 1.39 0.61 0.98 0.00 0.00 173.24 176.41