#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 6.44 -0.10 1.61 0.01 -1.26 -5.08 113.70 115.32 2dll s SER 2 Ca 0.00 0.51 -0.15 0.00 1.31 0.00 0.00 55.95 57.63 2dll s SER 2 Cb 0.00 -2.16 0.03 0.00 0.21 0.00 0.00 66.02 64.10 2dll s SER 2 CO 0.00 0.18 0.38 -0.44 0.41 0.00 0.00 173.24 173.77 2dll s SER 3 N 0.06 -0.35 -0.29 2.44 0.01 -1.26 -5.06 113.70 109.26 2dll s SER 3 Ca 0.16 0.55 0.07 0.00 1.31 0.00 0.00 55.95 58.04 2dll s SER 3 Cb -0.13 0.62 0.46 0.00 0.21 0.00 0.00 66.02 67.18 2dll s SER 3 CO 0.04 -0.26 1.19 0.61 0.41 0.00 0.00 173.24 175.23 2dll n GLY 4 N 2.24 6.34 3.77 3.44 0.00 -1.26 -5.06 105.19 114.66 2dll n GLY 4 Ca -0.16 -2.62 -0.39 0.00 0.00 0.00 0.00 46.02 42.85 2dll n GLY 4 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 2dll s SER 5 N -3.59 6.60 0.44 1.61 0.01 -1.26 -5.04 113.70 112.47 2dll s SER 5 Ca 0.50 2.40 0.08 0.00 1.31 0.00 0.00 55.95 60.25 2dll s SER 5 Cb 0.41 -2.62 0.02 0.00 0.21 0.00 0.00 66.02 64.03 2dll s SER 5 CO 0.04 -0.63 0.56 -0.44 0.41 0.00 0.00 173.24 173.18 2dll s SER 6 N -1.00 5.44 -0.36 2.44 0.01 -1.26 -5.07 113.70 113.89 2dll s SER 6 Ca 0.55 -0.56 0.13 0.00 1.31 0.00 0.00 55.95 57.37 2dll s SER 6 Cb -0.32 -0.48 0.42 0.00 0.21 0.00 0.00 66.02 65.84 2dll s SER 6 CO 0.41 -0.83 1.23 0.61 0.41 0.00 0.00 173.24 175.08 2dll n GLY 7 N -1.84 1.46 0.12 3.44 0.00 -1.26 -4.95 105.19 102.16 2dll n GLY 7 Ca 0.08 -0.53 -0.21 0.00 0.00 0.00 0.00 46.02 45.35 2dll n GLY 7 CO 0.00 0.00 0.00 1.70 0.00 0.00 0.00 173.32 175.02 2dll h LYS 8 N 2.27 0.25 -0.94 1.61 1.63 -2.01 -3.36 116.57 116.02 2dll h LYS 8 Ca -0.23 -0.43 0.27 0.00 -0.85 0.00 0.00 60.65 59.41 2dll h LYS 8 Cb 1.26 0.16 -0.16 0.00 -0.60 0.00 0.00 32.23 32.89 2dll h LYS 8 CO 0.11 1.21 0.17 1.25 -3.45 0.00 0.00 179.45 178.74 2dll h LEU 9 N -0.33 -0.19 -0.34 5.20 5.85 -1.97 0.11 115.31 123.64 2dll h LEU 9 Ca -0.27 0.24 0.03 0.00 0.84 0.00 0.00 57.88 58.73 2dll h LEU 9 Cb 1.73 0.37 -0.05 0.00 0.37 0.00 0.00 40.66 43.08 2dll h LEU 9 CO 0.07 -0.28 -0.31 -0.09 -0.34 0.00 0.00 178.44 177.50 2dll h ARG 10 N 0.09 -0.12 0.24 1.25 2.43 -1.98 0.12 114.38 116.40 2dll h ARG 10 Ca 0.61 0.01 -0.01 0.00 -0.81 0.00 0.00 59.98 59.77 2dll h ARG 10 Cb 1.30 0.03 0.00 0.00 -0.42 0.00 0.00 29.97 30.88 2dll h ARG 10 CO -0.79 -0.08 -0.12 0.37 -1.51 0.00 0.00 179.97 177.84 2dll h GLN 11 N -0.13 -0.31 -0.78 0.20 5.75 -1.42 -2.92 115.11 115.49 2dll h GLN 11 Ca 0.06 0.02 0.07 0.00 -0.15 0.00 0.00 58.65 58.65 2dll h GLN 11 Cb 0.28 0.07 -0.09 0.00 1.07 0.00 0.00 27.48 28.81 2dll h GLN 11 CO -0.39 0.03 -0.46 1.87 -2.65 0.00 0.00 178.83 177.23 2dll n TRP 12 N -5.07 -0.34 0.17 3.99 -0.00 0.25 -0.80 117.44 115.64 2dll n TRP 12 Ca -0.09 0.97 -0.16 0.00 -0.00 0.00 0.00 57.50 58.22 2dll n TRP 12 Cb 0.25 -0.56 -0.09 0.00 -0.00 0.00 0.00 31.31 30.92 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 -1.37 -0.99 5.87 5.85 -0.84 -1.50 115.31 122.33 2dll h LEU 13 Ca 0.12 0.14 0.35 0.00 0.84 0.00 0.00 57.88 59.33 2dll h LEU 13 Cb 0.32 0.49 -0.16 0.00 0.37 0.00 0.00 40.66 41.68 2dll h LEU 13 CO -0.73 -0.56 0.49 0.40 -0.34 0.00 0.00 178.44 177.69 2dll h ILE 14 N -0.79 0.17 -0.58 4.05 2.04 -0.85 1.07 117.51 122.62 2dll h ILE 14 Ca -0.01 -0.06 -0.08 0.00 1.00 0.00 0.00 64.86 65.71 2dll h ILE 14 Cb 0.76 -0.02 -0.02 0.00 -0.74 0.00 0.00 36.82 36.80 2dll h ILE 14 CO -0.20 0.03 0.04 -0.78 0.00 0.00 0.00 178.15 177.25 2dll h ASP 15 N 0.17 0.94 -0.43 1.72 1.82 0.04 -1.08 116.42 119.61 2dll h ASP 15 Ca 0.75 -0.24 -0.13 0.00 -0.39 0.00 0.00 57.03 57.03 2dll h ASP 15 Cb 1.81 -0.25 -0.01 0.00 0.68 0.00 0.00 39.33 41.56 2dll h ASP 15 CO -0.70 0.97 -0.22 1.56 -1.61 0.00 0.00 179.24 179.24 2dll h GLN 16 N 0.91 0.90 0.03 0.28 1.08 0.17 -2.73 115.11 115.76 2dll h GLN 16 Ca 0.17 -0.40 -0.00 0.00 -1.45 0.00 0.00 58.65 56.97 2dll h GLN 16 Cb 0.47 -0.02 0.00 0.00 -0.05 0.00 0.00 27.48 27.88 2dll h GLN 16 CO 0.02 1.06 -0.01 0.82 -0.95 0.00 0.00 178.83 179.76 2dll h ILE 17 N 0.73 1.19 -0.69 2.54 2.04 -0.85 -2.40 117.51 120.06 2dll h ILE 17 Ca 0.09 -0.68 0.13 0.00 1.00 0.00 0.00 64.86 65.41 2dll h ILE 17 Cb 0.80 1.64 -0.09 0.00 -0.74 0.00 0.00 36.82 38.42 2dll h ILE 17 CO 0.07 0.17 0.22 -0.78 0.00 0.00 0.00 178.15 177.83 2dll h ASP 18 N -0.33 0.15 -0.44 1.72 1.82 -1.22 0.32 116.42 118.43 2dll h ASP 18 Ca -0.00 0.11 -0.04 0.00 -0.39 0.00 0.00 57.03 56.71 2dll h ASP 18 Cb 0.31 0.12 -0.02 0.00 0.68 0.00 0.00 39.33 40.42 2dll h ASP 18 CO 0.01 0.06 0.15 0.77 -1.61 0.00 0.00 179.24 178.62 2dll h SER 19 N 0.36 0.68 -1.47 2.28 4.64 -1.42 -3.46 113.55 115.17 2dll h SER 19 Ca 0.37 -0.10 -0.31 0.00 -0.47 0.00 0.00 61.79 61.28 2dll h SER 19 Cb 0.56 -0.18 -0.07 0.00 -0.31 0.00 0.00 62.40 62.40 2dll h SER 19 CO -0.41 0.65 -0.34 0.61 -0.87 0.00 0.00 176.83 176.48 2dll n GLY 20 N -0.99 0.64 0.25 -0.77 0.00 0.10 -4.89 105.19 99.53 2dll n GLY 20 Ca 0.04 -0.27 -0.13 0.00 0.00 0.00 0.00 46.02 45.65 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 -3.44 116.57 108.98 2dll h LYS 21 Ca -0.34 -0.50 -0.55 0.00 -1.87 0.00 0.00 60.65 57.39 2dll h LYS 21 Cb 1.14 0.04 -0.04 0.00 0.08 0.00 0.00 32.23 33.45 2dll h LYS 21 CO 0.44 1.14 0.09 0.71 -0.57 0.00 0.00 179.45 181.26 2dll s TYR 22 N -4.21 3.82 0.47 -1.35 1.51 -1.26 -5.05 117.35 111.27 2dll s TYR 22 Ca -0.10 1.44 -0.23 0.00 -1.01 0.00 0.00 57.07 57.17 2dll s TYR 22 Cb 0.11 -2.67 -0.07 0.00 -0.11 0.00 0.00 41.96 39.21 2dll s TYR 22 CO 0.88 0.48 1.16 -1.25 -1.11 0.00 0.00 175.55 175.71 2dll s PRO 23 N -0.83 3.72 0.00 -1.71 0.04 -1.26 -3.33 135.00 131.62 2dll s PRO 23 Ca 0.33 1.76 0.00 0.00 0.04 0.00 0.00 61.00 63.13 2dll s PRO 23 Cb -0.21 -2.36 0.00 0.00 0.04 0.00 0.00 34.50 31.97 2dll s PRO 23 CO 0.22 -0.58 0.00 0.41 0.04 0.00 0.00 177.00 177.09 2dll n GLY 24 N 0.41 1.82 3.59 0.56 0.00 -1.26 -4.77 105.19 105.53 2dll n GLY 24 Ca 0.08 -0.18 -0.42 0.00 0.00 0.00 0.00 46.02 45.50 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 3.50 0.00 0.99 2.96 -1.21 -4.47 118.68 120.45 2dll s LEU 25 Ca 0.00 0.51 -0.20 0.00 -0.22 0.00 0.00 54.13 54.21 2dll s LEU 25 Cb 0.00 -3.29 0.04 0.00 0.50 0.00 0.00 46.19 43.44 2dll s LEU 25 CO 0.00 -1.56 0.45 0.68 -1.32 0.00 0.00 176.35 174.60 2dll s VAL 26 N 5.66 0.04 -0.08 1.68 -7.23 -1.20 -4.71 120.40 114.55 2dll s VAL 26 Ca 0.55 -0.34 -0.30 0.00 -1.81 0.00 0.00 61.98 60.09 2dll s VAL 26 Cb -0.11 -0.84 -0.02 0.00 0.56 0.00 0.00 36.38 35.96 2dll s VAL 26 CO 0.29 -0.19 1.12 0.26 -0.31 0.00 0.00 175.10 176.27 2dll s TRP 27 N -1.77 3.33 0.38 2.82 0.52 -1.26 -1.33 118.94 121.63 2dll s TRP 27 Ca -0.10 1.38 0.22 0.00 0.02 0.00 0.00 56.10 57.62 2dll s TRP 27 Cb -0.02 -3.32 1.19 0.00 -1.15 0.00 0.00 33.47 30.16 2dll s TRP 27 CO 0.03 -0.84 1.99 0.93 0.02 0.00 0.00 176.95 179.08 2dll h GLU 28 N 7.31 0.00 -5.24 4.98 5.08 -0.12 -3.45 114.58 123.14 2dll h GLU 28 Ca -0.32 0.00 -0.58 0.00 -1.00 0.00 0.00 59.36 57.45 2dll h GLU 28 Cb 1.15 0.00 -0.13 0.00 0.50 0.00 0.00 28.75 30.27 2dll h GLU 28 CO 0.87 0.19 -0.56 0.54 -1.00 0.00 0.00 179.01 179.06 2dll s ASN 29 N -6.44 3.23 0.19 1.42 2.20 -1.23 -5.04 114.94 109.26 2dll s ASN 29 Ca -0.03 -1.53 0.15 0.00 -0.94 0.00 0.00 52.86 50.51 2dll s ASN 29 Cb 0.13 0.19 -0.03 0.00 -2.00 0.00 0.00 41.25 39.54 2dll s ASN 29 CO 0.63 -0.74 1.21 -0.33 -2.94 0.00 0.00 177.10 174.94 2dll h GLU 30 N 1.76 0.00 0.00 3.55 4.39 -1.93 -3.24 114.58 119.10 2dll h GLU 30 Ca -0.41 0.00 0.00 0.00 0.34 0.00 0.00 59.36 59.29 2dll h GLU 30 Cb 1.27 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 29.92 2dll h GLU 30 CO 0.69 0.48 0.00 -0.85 -1.16 0.00 0.00 179.01 178.17 2dll n GLU 31 N -3.12 0.05 -2.97 2.33 0.28 -1.26 -4.83 120.64 111.12 2dll n GLU 31 Ca -0.02 0.47 -0.20 0.00 -0.16 0.00 0.00 57.16 57.25 2dll n GLU 31 Cb 0.79 -1.64 0.04 0.00 1.43 0.00 0.00 31.44 32.05 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 -1.75 -4.57 -0.09 3.44 4.76 -1.23 -4.90 118.16 113.83 2dll n LYS 32 Ca 0.01 0.80 -0.12 0.00 -2.87 0.00 0.00 58.31 56.13 2dll n LYS 32 Cb 0.07 -5.45 -0.09 0.00 -1.84 0.00 0.00 35.03 27.71 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 -2.05 2.31 -4.58 4.39 7.64 -1.26 -4.99 113.62 115.07 2dll n SER 33 Ca -0.09 -0.08 -0.32 0.00 1.01 0.00 0.00 58.87 59.38 2dll n SER 33 Cb 0.60 -0.08 -0.11 0.00 -1.01 0.00 0.00 64.21 63.62 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 -2.37 3.56 0.23 0.44 1.01 -1.26 -2.89 121.20 119.92 2dll s ILE 34 Ca -0.22 -0.77 -0.10 0.00 0.00 0.00 0.00 60.65 59.55 2dll s ILE 34 Cb 0.06 -2.53 -0.01 0.00 0.01 0.00 0.00 42.46 39.99 2dll s ILE 34 CO 0.47 0.42 0.40 0.72 0.00 0.00 0.00 174.94 176.95 2dll s PHE 35 N -0.96 0.51 -0.06 3.97 -0.71 -1.20 0.62 117.98 120.15 2dll s PHE 35 Ca 0.16 -0.85 0.04 0.00 -1.04 0.00 0.00 56.93 55.24 2dll s PHE 35 Cb -0.11 0.03 0.00 0.00 -1.21 0.00 0.00 43.02 41.73 2dll s PHE 35 CO 0.06 -0.91 -0.18 -0.98 -1.34 0.00 0.00 175.22 171.88 2dll s ARG 36 N -4.04 2.08 -0.09 1.99 1.70 -0.44 -2.72 118.95 117.42 2dll s ARG 36 Ca 0.25 -0.63 0.02 0.00 -0.47 0.00 0.00 55.73 54.90 2dll s ARG 36 Cb 0.01 -1.71 -0.02 0.00 -0.57 0.00 0.00 34.95 32.66 2dll s ARG 36 CO 0.09 0.18 -0.15 -1.50 -1.08 0.00 0.00 175.30 172.84 2dll s ILE 37 N 0.25 2.94 -0.28 4.99 2.07 -0.63 -3.24 121.20 127.30 2dll s ILE 37 Ca -0.10 -0.73 -0.29 0.00 -1.41 0.00 0.00 60.65 58.12 2dll s ILE 37 Cb -0.14 -2.18 -0.02 0.00 0.13 0.00 0.00 42.46 40.25 2dll s ILE 37 CO 0.04 0.56 1.65 -2.16 -1.91 0.00 0.00 174.94 173.12 2dll s PRO 38 N -0.12 3.63 -0.47 3.50 0.04 -1.26 0.59 135.00 140.90 2dll s PRO 38 Ca -0.02 1.51 -0.11 0.00 0.04 0.00 0.00 61.00 62.42 2dll s PRO 38 Cb -0.14 -4.08 0.10 0.00 0.04 0.00 0.00 34.50 30.42 2dll s PRO 38 CO 0.04 -1.50 0.36 -0.46 0.04 0.00 0.00 177.00 175.48 2dll s TRP 39 N 5.74 3.35 -0.05 0.56 -0.11 -0.55 -4.91 118.94 122.96 2dll s TRP 39 Ca 0.73 -1.55 -0.01 0.00 1.22 0.00 0.00 56.10 56.49 2dll s TRP 39 Cb -0.23 -3.36 0.03 0.00 -1.50 0.00 0.00 33.47 28.40 2dll s TRP 39 CO 0.31 -0.93 0.01 0.15 -4.62 0.00 0.00 176.95 171.87 2dll s LYS 40 N 1.46 0.39 0.76 5.86 1.02 -1.26 -4.50 119.74 123.46 2dll s LYS 40 Ca 0.04 0.15 -0.09 0.00 0.02 0.00 0.00 55.97 56.09 2dll s LYS 40 Cb -0.26 -0.74 0.08 0.00 -0.52 0.00 0.00 37.83 36.39 2dll s LYS 40 CO 0.02 -0.26 1.10 -3.38 -0.92 0.00 0.00 175.35 171.91 2dll s HIS 41 N 1.74 2.81 0.31 3.18 -3.43 -1.26 -4.94 115.29 113.70 2dll s HIS 41 Ca 0.01 0.54 0.07 0.00 -0.80 0.00 0.00 55.06 54.87 2dll s HIS 41 Cb -0.13 -3.37 0.85 0.00 -1.43 0.00 0.00 32.58 28.50 2dll s HIS 41 CO -0.04 -1.65 1.65 0.00 -2.00 0.00 0.00 174.74 172.71 2dll h ALA 42 N -0.85 1.52 -0.47 -1.38 0.00 -2.03 -1.46 119.26 114.59 2dll h ALA 42 Ca -0.45 0.22 0.14 0.00 0.00 0.00 0.00 54.91 54.82 2dll h ALA 42 Cb 1.32 0.27 -0.09 0.00 0.00 0.00 0.00 17.79 19.29 2dll h ALA 42 CO 0.61 -0.51 0.05 0.41 0.00 0.00 0.00 179.25 179.81 2dll n GLY 43 N -1.35 -0.59 3.58 0.00 0.00 -1.26 -3.57 105.19 102.00 2dll n GLY 43 Ca 0.25 0.45 -0.41 0.00 0.00 0.00 0.00 46.02 46.31 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 -5.19 3.79 -0.26 1.61 -0.14 -0.55 -4.93 119.74 114.07 2dll s LYS 44 Ca -0.06 -0.03 -0.12 0.00 -1.36 0.00 0.00 55.97 54.41 2dll s LYS 44 Cb 0.14 -3.75 -0.15 0.00 -1.68 0.00 0.00 37.83 32.40 2dll s LYS 44 CO 0.37 -0.51 -0.22 0.94 -0.76 0.00 0.00 175.35 175.17 2dll n GLN 45 N 5.61 0.60 -0.45 1.68 7.27 -1.23 -4.37 117.38 126.49 2dll n GLN 45 Ca -0.05 0.29 0.38 0.00 0.07 0.00 0.00 57.00 57.68 2dll n GLN 45 Cb 0.49 -1.55 0.65 0.00 2.41 0.00 0.00 30.24 32.25 2dll n GLN 45 CO 0.00 0.00 0.00 -0.44 0.07 0.00 0.00 177.06 176.69 2dll h ASP 46 N -0.78 0.24 -2.24 1.69 3.32 -1.93 -3.41 116.42 113.31 2dll h ASP 46 Ca -0.62 0.15 -0.31 0.00 0.02 0.00 0.00 57.03 56.27 2dll h ASP 46 Cb 1.64 0.14 0.17 0.00 0.22 0.00 0.00 39.33 41.50 2dll h ASP 46 CO -0.32 -0.22 -0.46 0.00 -1.72 0.00 0.00 179.24 176.53 2dll n TYR 47 N -4.74 -2.34 -2.81 4.55 4.11 -1.26 -4.89 117.16 109.79 2dll n TYR 47 Ca 0.38 -0.11 -0.42 0.00 -0.00 0.00 0.00 57.90 57.75 2dll n TYR 47 Cb 1.46 -1.43 -0.03 0.00 -0.00 0.00 0.00 39.34 39.34 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 -2.14 6.99 -0.15 9.48 -0.87 -1.26 -4.94 114.94 122.04 2dll s ASN 48 Ca 0.47 1.22 -0.14 0.00 -1.57 0.00 0.00 52.86 52.84 2dll s ASN 48 Cb -0.09 -2.48 -0.05 0.00 -0.02 0.00 0.00 41.25 38.61 2dll s ASN 48 CO 0.46 -0.51 -0.28 0.54 -2.57 0.00 0.00 177.10 174.74 2dll n ARG 49 N 5.72 0.46 0.06 -0.60 1.74 -1.26 -3.64 116.66 119.14 2dll n ARG 49 Ca 0.07 0.25 -0.11 0.00 -0.77 0.00 0.00 57.85 57.29 2dll n ARG 49 Cb 0.48 -1.38 -0.05 0.00 -1.02 0.00 0.00 32.46 30.48 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 -0.89 -0.20 0.25 5.56 4.11 -1.98 0.51 114.58 121.93 2dll h GLU 50 Ca 0.00 0.01 -0.01 0.00 0.07 0.00 0.00 59.36 59.43 2dll h GLU 50 Cb 0.80 0.05 0.00 0.00 0.50 0.00 0.00 28.75 30.10 2dll h GLU 50 CO 0.00 -0.13 -0.12 0.93 0.07 0.00 0.00 179.01 179.76 2dll h GLU 51 N -0.21 -0.32 -0.80 1.06 4.39 -1.99 0.82 114.58 117.54 2dll h GLU 51 Ca 0.03 0.02 0.03 0.00 0.34 0.00 0.00 59.36 59.78 2dll h GLU 51 Cb 0.25 0.07 -0.04 0.00 -0.10 0.00 0.00 28.75 28.92 2dll h GLU 51 CO -0.10 -0.18 0.53 0.22 -1.16 0.00 0.00 179.01 178.32 2dll h ASP 52 N -0.37 0.86 -0.02 1.42 3.58 -1.59 -1.90 116.42 118.39 2dll h ASP 52 Ca -0.03 -0.01 -0.13 0.00 0.42 0.00 0.00 57.03 57.27 2dll h ASP 52 Cb 0.29 -0.20 -0.01 0.00 1.72 0.00 0.00 39.33 41.12 2dll h ASP 52 CO 0.06 0.60 -0.42 0.00 -2.88 0.00 0.00 179.24 176.59 2dll h ALA 53 N 1.53 0.84 -0.85 -0.78 0.00 0.32 -3.21 119.26 117.10 2dll h ALA 53 Ca 0.31 -0.45 0.23 0.00 0.00 0.00 0.00 54.91 55.01 2dll h ALA 53 Cb 0.00 -0.10 -0.16 0.00 0.00 0.00 0.00 17.79 17.53 2dll h ALA 53 CO -0.09 0.65 0.01 0.00 0.00 0.00 0.00 179.25 179.82 2dll n ALA 54 N -2.50 0.43 0.12 0.00 0.00 0.26 0.36 120.51 119.17 2dll n ALA 54 Ca -0.02 0.92 -0.05 0.00 0.00 0.00 0.00 53.44 54.29 2dll n ALA 54 Cb 0.52 -0.67 -0.02 0.00 0.00 0.00 0.00 19.45 19.29 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 -0.26 -0.26 0.00 5.85 -1.67 -2.01 115.31 116.96 2dll h LEU 55 Ca 0.51 0.01 0.04 0.00 0.84 0.00 0.00 57.88 59.29 2dll h LEU 55 Cb 1.05 0.07 -0.07 0.00 0.37 0.00 0.00 40.66 42.08 2dll h LEU 55 CO -0.81 -0.15 -0.52 -0.26 -0.34 0.00 0.00 178.44 176.36 2dll h PHE 56 N -0.37 -1.55 -0.76 1.25 0.04 -1.30 -1.21 116.94 113.05 2dll h PHE 56 Ca -0.03 0.07 0.15 0.00 2.80 0.00 0.00 57.97 60.96 2dll h PHE 56 Cb 0.24 0.71 -0.14 0.00 2.20 0.00 0.00 35.95 38.95 2dll h PHE 56 CO 0.13 -0.51 -0.20 -0.22 -0.60 0.00 0.00 178.31 176.91 2dll h LYS 57 N -0.48 -0.01 -0.98 1.51 3.64 -0.20 0.41 116.57 120.47 2dll h LYS 57 Ca 0.07 0.00 0.21 0.00 -1.27 0.00 0.00 60.65 59.66 2dll h LYS 57 Cb 0.64 0.00 -0.11 0.00 -0.41 0.00 0.00 32.23 32.34 2dll h LYS 57 CO -0.51 -0.00 0.56 0.00 -2.27 0.00 0.00 179.45 177.23 2dll h ALA 58 N 1.73 1.64 -0.89 5.00 0.00 -0.44 0.12 119.26 126.42 2dll h ALA 58 Ca 0.36 0.10 0.03 0.00 0.00 0.00 0.00 54.91 55.40 2dll h ALA 58 Cb 0.56 -0.02 -0.05 0.00 0.00 0.00 0.00 17.79 18.28 2dll h ALA 58 CO -0.78 -0.16 0.58 2.35 0.00 0.00 0.00 179.25 181.24 2dll h TRP 59 N 0.65 1.09 0.30 0.00 2.91 0.23 0.25 115.95 121.38 2dll h TRP 59 Ca 0.59 0.03 -0.01 0.00 1.13 0.00 0.00 58.89 60.62 2dll h TRP 59 Cb 1.00 -0.36 0.00 0.00 -0.51 0.00 0.00 29.16 29.29 2dll h TRP 59 CO -0.03 0.65 -0.15 0.00 -1.03 0.00 0.00 178.44 177.88 2dll h ALA 60 N 1.36 -0.41 -0.81 2.65 0.00 -0.56 0.17 119.26 121.66 2dll h ALA 60 Ca 0.35 -0.17 0.01 0.00 0.00 0.00 0.00 54.91 55.10 2dll h ALA 60 Cb -0.03 0.16 -0.04 0.00 0.00 0.00 0.00 17.79 17.87 2dll h ALA 60 CO -0.11 -0.60 0.53 -0.07 0.00 0.00 0.00 179.25 179.01 2dll h LEU 61 N -0.67 0.94 0.50 0.00 3.38 -1.19 0.20 115.31 118.47 2dll h LEU 61 Ca -0.04 -0.03 -0.02 0.00 0.09 0.00 0.00 57.88 57.87 2dll h LEU 61 Cb 0.47 -0.24 0.00 0.00 0.09 0.00 0.00 40.66 40.99 2dll h LEU 61 CO 0.07 0.69 -0.24 0.15 0.09 0.00 0.00 178.44 179.20 2dll h PHE 62 N 1.11 -0.62 0.44 1.13 3.04 -0.48 -3.35 116.94 118.20 2dll h PHE 62 Ca 0.30 -0.01 -0.02 0.00 3.98 0.00 0.00 57.97 62.21 2dll h PHE 62 Cb -0.11 0.21 0.00 0.00 2.56 0.00 0.00 35.95 38.60 2dll h PHE 62 CO -0.01 -0.30 -0.24 0.87 -2.02 0.00 0.00 178.31 176.61 2dll h LYS 63 N -0.97 -0.60 0.00 1.11 1.79 -0.58 -3.46 116.57 113.86 2dll h LYS 63 Ca -0.07 0.04 0.00 0.00 -2.18 0.00 0.00 60.65 58.44 2dll h LYS 63 Cb 0.61 0.14 0.00 0.00 -1.58 0.00 0.00 32.23 31.39 2dll h LYS 63 CO 0.11 -0.40 0.00 0.41 -1.08 0.00 0.00 179.45 178.49 2dll n GLY 64 N -1.32 2.56 2.73 3.86 0.00 0.69 -5.08 105.19 108.64 2dll n GLY 64 Ca -0.08 -1.85 -0.27 0.00 0.00 0.00 0.00 46.02 43.82 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 3.88 0.62 0.12 1.61 -0.14 -1.26 -4.50 119.74 120.06 2dll s LYS 65 Ca 0.00 -0.38 0.04 0.00 -1.36 0.00 0.00 55.97 54.27 2dll s LYS 65 Cb 0.00 -2.05 -0.04 0.00 -1.68 0.00 0.00 37.83 34.07 2dll s LYS 65 CO 0.00 -0.63 -0.10 0.12 -0.76 0.00 0.00 175.35 173.98 2dll s PHE 66 N 1.88 1.15 -0.05 3.18 2.19 -1.26 -5.03 117.98 120.04 2dll s PHE 66 Ca -0.01 -0.70 0.06 0.00 0.33 0.00 0.00 56.93 56.62 2dll s PHE 66 Cb -0.17 -0.61 -0.01 0.00 -1.31 0.00 0.00 43.02 40.92 2dll s PHE 66 CO -0.08 0.03 -0.23 1.03 1.83 0.00 0.00 175.22 177.80 2dll s ARG 67 N -3.16 2.35 -0.07 10.12 1.81 -1.26 -4.91 118.95 123.82 2dll s ARG 67 Ca 0.10 -0.84 0.10 0.00 -1.72 0.00 0.00 55.73 53.37 2dll s ARG 67 Cb -0.01 -2.01 -0.24 0.00 -0.45 0.00 0.00 34.95 32.24 2dll s ARG 67 CO 0.00 0.36 0.56 -0.85 -0.68 0.00 0.00 175.30 174.69 2dll n GLU 68 N 2.96 0.65 0.09 3.54 0.28 -1.26 -2.85 120.64 124.05 2dll n GLU 68 Ca -0.17 0.26 -0.21 0.00 -0.16 0.00 0.00 57.16 56.88 2dll n GLU 68 Cb 0.52 -1.75 -0.15 0.00 1.43 0.00 0.00 31.44 31.49 2dll n GLU 68 CO 0.00 0.00 0.00 0.78 -0.16 0.00 0.00 177.13 177.75 2dll h GLY 69 N 3.21 0.42 0.00 -1.84 0.00 -2.01 -3.40 103.07 99.44 2dll h GLY 69 Ca -0.33 -1.08 -0.00 0.00 0.00 0.00 0.00 47.33 45.92 2dll h GLY 69 CO 0.07 0.95 -0.09 -2.22 0.00 0.00 0.00 176.54 175.25 2dll h ILE 70 N 0.10 0.00 -2.96 2.60 2.04 -2.00 -3.48 117.51 113.82 2dll h ILE 70 Ca -0.28 -1.00 -0.44 0.00 1.00 0.00 0.00 64.86 64.14 2dll h ILE 70 Cb 2.08 0.00 0.06 0.00 -0.74 0.00 0.00 36.82 38.22 2dll h ILE 70 CO 0.20 0.00 0.06 -1.81 0.00 0.00 0.00 178.15 176.60 2dll s ASP 71 N -5.58 5.11 -0.26 1.72 1.11 -1.13 -5.07 116.67 112.57 2dll s ASP 71 Ca -0.03 0.16 -0.14 0.00 0.18 0.00 0.00 52.55 52.72 2dll s ASP 71 Cb 0.00 -0.96 -0.04 0.00 1.07 0.00 0.00 42.92 42.99 2dll s ASP 71 CO 0.04 -1.30 0.32 -0.75 1.18 0.00 0.00 175.17 174.66 2dll s LYS 72 N -4.94 4.03 0.54 8.23 2.36 -1.26 -4.34 119.74 124.36 2dll s LYS 72 Ca 0.58 -0.04 -0.19 0.00 -2.55 0.00 0.00 55.97 53.77 2dll s LYS 72 Cb -0.10 -3.63 -0.06 0.00 -1.05 0.00 0.00 37.83 32.98 2dll s LYS 72 CO 0.41 -0.20 1.13 -1.25 1.55 0.00 0.00 175.35 176.98 2dll s PRO 73 N 1.83 3.35 -0.28 4.03 0.04 -1.26 -5.05 135.00 137.67 2dll s PRO 73 Ca 0.13 1.61 -0.00 0.00 0.04 0.00 0.00 61.00 62.78 2dll s PRO 73 Cb -0.16 -2.00 0.14 0.00 0.04 0.00 0.00 34.50 32.52 2dll s PRO 73 CO 0.09 -0.85 0.33 -0.51 0.04 0.00 0.00 177.00 176.10 2dll s ASP 74 N -1.78 1.15 0.28 6.66 1.01 -1.26 -5.03 116.67 117.71 2dll s ASP 74 Ca 0.73 -0.51 0.02 0.00 0.71 0.00 0.00 52.55 53.50 2dll s ASP 74 Cb -0.24 0.72 0.68 0.00 1.01 0.00 0.00 42.92 45.10 2dll s ASP 74 CO 0.27 -0.37 1.69 -0.65 0.21 0.00 0.00 175.17 176.32 2dll h PRO 75 N 8.23 0.35 -0.27 8.23 0.11 -2.00 0.82 132.00 147.47 2dll h PRO 75 Ca -0.13 -0.02 0.08 0.00 0.11 0.00 0.00 66.00 66.04 2dll h PRO 75 Cb 1.10 -0.08 -0.01 0.00 0.11 0.00 0.00 31.00 32.12 2dll h PRO 75 CO 0.31 0.23 0.66 -1.35 -0.21 0.00 0.00 178.00 177.64 2dll h PRO 76 N 0.36 0.00 0.05 1.05 0.11 -1.99 0.95 132.00 132.52 2dll h PRO 76 Ca 0.54 0.00 -0.23 0.00 0.11 0.00 0.00 66.00 66.42 2dll h PRO 76 Cb 1.01 0.00 -0.02 0.00 0.11 0.00 0.00 31.00 32.10 2dll h PRO 76 CO -0.54 0.00 -1.21 1.15 -0.21 0.00 0.00 178.00 177.19 2dll h THR 77 N 0.00 1.04 0.26 -1.15 2.02 -1.27 -3.28 112.91 110.54 2dll h THR 77 Ca 0.13 -2.29 -0.01 0.00 0.77 0.00 0.00 66.41 65.01 2dll h THR 77 Cb 1.46 2.56 0.00 0.00 -1.74 0.00 0.00 68.15 70.43 2dll h THR 77 CO -0.00 0.53 -0.13 -0.50 0.37 0.00 0.00 175.52 175.79 2dll h TRP 78 N -0.67 -0.33 -0.72 3.16 6.55 -0.93 0.10 115.95 123.12 2dll h TRP 78 Ca -0.30 -0.01 0.16 0.00 0.95 0.00 0.00 58.89 59.69 2dll h TRP 78 Cb 1.48 0.11 -0.11 0.00 -0.86 0.00 0.00 29.16 29.78 2dll h TRP 78 CO 0.13 -0.06 0.13 0.87 -1.05 0.00 0.00 178.44 178.46 2dll h LYS 79 N -0.57 0.22 0.11 0.49 1.57 -1.17 0.13 116.57 117.36 2dll h LYS 79 Ca -0.04 -0.01 -0.01 0.00 -1.87 0.00 0.00 60.65 58.73 2dll h LYS 79 Cb 0.41 -0.05 0.00 0.00 0.08 0.00 0.00 32.23 32.68 2dll h LYS 79 CO 0.06 0.14 -0.05 1.15 -0.57 0.00 0.00 179.45 180.18 2dll h THR 80 N 0.22 1.07 -0.01 -0.16 2.02 -1.60 0.31 112.91 114.77 2dll h THR 80 Ca 0.40 -0.80 0.00 0.00 0.77 0.00 0.00 66.41 66.78 2dll h THR 80 Cb 0.68 1.57 -0.00 0.00 -1.74 0.00 0.00 68.15 68.66 2dll h THR 80 CO -0.53 0.19 0.17 0.03 0.37 0.00 0.00 175.52 175.75 2dll h ARG 81 N -0.53 0.00 0.06 6.66 2.47 -0.19 0.34 114.38 123.19 2dll h ARG 81 Ca -0.02 0.00 -0.38 0.00 -1.26 0.00 0.00 59.98 58.33 2dll h ARG 81 Cb 0.43 0.00 -0.04 0.00 -1.65 0.00 0.00 29.97 28.71 2dll h ARG 81 CO 0.03 0.00 -2.24 -0.11 0.56 0.00 0.00 179.97 178.21 2dll n LEU 82 N -3.04 2.79 0.05 3.04 7.94 0.39 -4.12 117.00 124.05 2dll n LEU 82 Ca -0.02 0.04 -0.04 0.00 -1.11 0.00 0.00 56.01 54.87 2dll n LEU 82 Cb 0.23 -1.01 0.16 0.00 0.53 0.00 0.00 43.42 43.33 2dll n LEU 82 CO 0.17 0.89 0.60 -0.09 -1.11 0.00 0.00 177.39 177.85 2dll h ARG 83 N 0.00 0.36 -0.08 1.96 2.43 0.63 -1.33 114.38 118.36 2dll h ARG 83 Ca -0.51 -0.19 0.02 0.00 -0.81 0.00 0.00 59.98 58.49 2dll h ARG 83 Cb 1.95 0.01 -0.02 0.00 -0.42 0.00 0.00 29.97 31.49 2dll h ARG 83 CO -0.01 0.74 -0.02 0.00 -1.51 0.00 0.00 179.97 179.16 2dll h ALA 85 N 1.08 0.06 -1.26 0.00 0.00 -1.70 -2.32 119.26 115.11 2dll h ALA 85 Ca 0.04 -0.34 0.41 0.00 0.00 0.00 0.00 54.91 55.01 2dll h ALA 85 Cb 0.06 -0.01 -0.12 0.00 0.00 0.00 0.00 17.79 17.72 2dll h ALA 85 CO -0.09 -0.06 0.81 1.25 0.00 0.00 0.00 179.25 181.16 2dll h LEU 86 N -0.43 0.28 0.08 0.00 5.85 -1.18 0.43 115.31 120.33 2dll h LEU 86 Ca -0.00 0.13 -0.17 0.00 0.84 0.00 0.00 57.88 58.68 2dll h LEU 86 Cb 0.71 0.11 0.00 0.00 0.37 0.00 0.00 40.66 41.85 2dll h LEU 86 CO 0.02 -0.15 -0.84 -1.13 -0.34 0.00 0.00 178.44 176.00 2dll h ASN 87 N 0.13 0.26 -0.37 1.25 -1.24 -1.43 -3.32 115.58 110.85 2dll h ASN 87 Ca 0.78 -0.87 0.09 0.00 0.71 0.00 0.00 56.30 57.01 2dll h ASN 87 Cb 2.39 -0.08 -0.02 0.00 0.73 0.00 0.00 38.32 41.34 2dll h ASN 87 CO -0.41 1.37 0.26 0.11 -1.29 0.00 0.00 177.43 177.47 2dll h LYS 88 N -0.60 0.09 -6.15 6.67 1.79 -0.10 -3.42 116.57 114.85 2dll h LYS 88 Ca -0.18 -0.01 -0.67 0.00 -2.18 0.00 0.00 60.65 57.62 2dll h LYS 88 Cb 1.46 -0.02 0.01 0.00 -1.58 0.00 0.00 32.23 32.10 2dll h LYS 88 CO 0.03 0.06 1.14 0.45 -1.08 0.00 0.00 179.45 180.05 2dll n SER 89 N -4.45 2.79 0.08 0.86 2.88 0.12 -4.83 113.62 111.06 2dll n SER 89 Ca 0.06 0.83 0.03 0.00 -1.33 0.00 0.00 58.87 58.46 2dll n SER 89 Cb 0.39 -1.28 -0.03 0.00 -0.75 0.00 0.00 64.21 62.54 2dll n SER 89 CO 0.00 0.00 0.00 0.78 -1.23 0.00 0.00 175.04 174.59 2dll h ASN 90 N 9.63 0.00 0.00 -3.46 4.21 -1.91 -3.28 115.58 120.77 2dll h ASN 90 Ca -0.42 0.00 0.00 0.00 1.21 0.00 0.00 56.30 57.09 2dll h ASN 90 Cb 1.30 0.00 0.00 0.00 -1.12 0.00 0.00 38.32 38.50 2dll h ASN 90 CO 0.97 0.43 0.00 0.47 -1.29 0.00 0.00 177.43 178.02 2dll n ASP 91 N -2.95 0.23 -4.39 5.81 8.00 -1.26 -4.77 116.55 117.23 2dll n ASP 91 Ca -0.04 -1.99 -0.31 0.00 0.71 0.00 0.00 54.79 53.16 2dll n ASP 91 Cb 0.75 -0.12 -0.14 0.00 -0.02 0.00 0.00 41.12 41.59 2dll n ASP 91 CO 0.00 0.00 0.00 -0.36 -0.39 0.00 0.00 177.20 176.45 2dll s PHE 92 N -1.77 2.43 0.11 1.24 0.40 -1.24 0.21 117.98 119.37 2dll s PHE 92 Ca 0.00 -0.34 0.06 0.00 -0.60 0.00 0.00 56.93 56.05 2dll s PHE 92 Cb 0.00 -1.44 -0.04 0.00 0.51 0.00 0.00 43.02 42.05 2dll s PHE 92 CO 0.00 0.16 -0.02 -2.00 0.70 0.00 0.00 175.22 174.06 2dll s GLU 93 N -1.22 2.43 -0.44 0.44 2.56 0.11 -4.83 118.70 117.75 2dll s GLU 93 Ca 0.13 -0.94 -0.20 0.00 0.00 0.00 0.00 54.97 53.96 2dll s GLU 93 Cb -0.10 -2.45 0.02 0.00 2.00 0.00 0.00 34.13 33.60 2dll s GLU 93 CO 0.03 0.51 0.61 -2.00 -0.56 0.00 0.00 175.26 173.85 2dll s GLU 94 N -2.45 3.24 -0.17 4.30 2.12 -1.26 -2.09 118.70 122.39 2dll s GLU 94 Ca 0.25 -0.45 0.14 0.00 0.36 0.00 0.00 54.97 55.27 2dll s GLU 94 Cb -0.11 -3.96 0.69 0.00 0.26 0.00 0.00 34.13 31.02 2dll s GLU 94 CO 0.18 -0.98 1.58 1.28 -0.54 0.00 0.00 175.26 176.77 2dll n LEU 95 N 6.14 4.84 -0.52 2.70 4.77 -0.78 -4.60 117.00 129.54 2dll n LEU 95 Ca -0.03 -2.45 0.40 0.00 -0.03 0.00 0.00 56.01 53.90 2dll n LEU 95 Cb 0.48 -0.62 0.61 0.00 -2.33 0.00 0.00 43.42 41.56 2dll n LEU 95 CO 0.52 0.64 1.11 0.55 -1.33 0.00 0.00 177.39 178.88 2dll n VAL 96 N 0.72 -0.02 -0.28 4.08 3.14 -1.24 0.11 118.33 124.85 2dll n VAL 96 Ca 0.24 1.14 0.09 0.00 -2.96 0.00 0.00 64.34 62.85 2dll n VAL 96 Cb 0.98 -1.90 0.24 0.00 -1.06 0.00 0.00 33.84 32.10 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 0.38 0.00 1.45 5.08 -1.92 -0.54 114.58 119.03 2dll h GLU 97 Ca 0.71 -0.02 -0.16 0.00 -1.00 0.00 0.00 59.36 58.88 2dll h GLU 97 Cb 2.80 -0.09 -0.03 0.00 0.50 0.00 0.00 28.75 31.94 2dll h GLU 97 CO -0.04 0.25 -1.30 0.00 -1.00 0.00 0.00 179.01 176.92 2dll h ARG 98 N 0.39 0.00 -6.41 2.33 3.08 0.45 -3.47 114.38 110.75 2dll h ARG 98 Ca 0.48 0.00 -0.63 0.00 0.07 0.00 0.00 59.98 59.90 2dll h ARG 98 Cb 0.83 0.00 0.06 0.00 0.08 0.00 0.00 29.97 30.94 2dll h ARG 98 CO -0.49 0.33 0.61 -1.13 -1.07 0.00 0.00 179.97 178.22 2dll n SER 99 N -2.94 2.38 -4.05 7.04 3.41 -0.21 -4.94 113.62 114.32 2dll n SER 99 Ca -0.08 1.11 -0.32 0.00 -0.26 0.00 0.00 58.87 59.31 2dll n SER 99 Cb 0.83 -1.32 -0.15 0.00 -0.26 0.00 0.00 64.21 63.32 2dll n SER 99 CO 0.00 0.00 0.00 -1.10 -0.16 0.00 0.00 175.04 173.78 2dll s GLN 100 N 0.55 1.73 -0.02 4.33 -1.52 -1.12 -4.91 119.66 118.71 2dll s GLN 100 Ca 0.80 -1.74 0.19 0.00 -1.95 0.00 0.00 55.36 52.66 2dll s GLN 100 Cb -0.80 -3.18 -0.26 0.00 -0.22 0.00 0.00 33.01 28.55 2dll s GLN 100 CO 0.43 -0.86 0.52 1.28 -0.25 0.00 0.00 175.29 176.41 2dll n LEU 101 N 4.34 0.26 -0.67 2.90 4.77 -1.26 -2.33 117.00 125.01 2dll n LEU 101 Ca -0.01 -0.15 0.02 0.00 -0.03 0.00 0.00 56.01 55.83 2dll n LEU 101 Cb 0.42 0.00 0.08 0.00 -2.33 0.00 0.00 43.42 41.59 2dll n LEU 101 CO 0.23 0.07 0.41 0.47 -1.33 0.00 0.00 177.39 177.23 2dll n ASP 102 N -1.93 1.69 -4.66 -1.43 8.00 -1.26 -4.49 116.55 112.47 2dll n ASP 102 Ca -0.01 -2.14 -0.24 0.00 0.71 0.00 0.00 54.79 53.11 2dll n ASP 102 Cb 0.42 -0.45 -0.08 0.00 -0.02 0.00 0.00 41.12 41.00 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 -1.43 2.95 0.26 0.53 -4.36 -1.26 -5.02 121.20 112.87 2dll s ILE 103 Ca 0.10 -1.88 -0.07 0.00 -0.26 0.00 0.00 60.65 58.54 2dll s ILE 103 Cb 0.07 -2.85 0.43 0.00 1.25 0.00 0.00 42.46 41.36 2dll s ILE 103 CO 0.04 -0.24 1.45 -1.20 0.24 0.00 0.00 174.94 175.22 2dll n SER 104 N -0.99 -0.33 -4.06 4.36 7.64 -1.26 -3.40 113.62 115.58 2dll n SER 104 Ca -0.04 1.59 -0.33 0.00 1.01 0.00 0.00 58.87 61.10 2dll n SER 104 Cb 0.61 -0.48 -0.14 0.00 -1.01 0.00 0.00 64.21 63.19 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 -5.23 4.86 0.49 6.43 1.11 -1.26 -5.10 116.67 117.96 2dll s ASP 105 Ca -0.14 -1.97 -0.22 0.00 0.18 0.00 0.00 52.55 50.41 2dll s ASP 105 Cb 0.25 -1.68 -0.07 0.00 1.07 0.00 0.00 42.92 42.49 2dll s ASP 105 CO 0.72 -0.39 1.15 -2.16 1.18 0.00 0.00 175.17 175.68 2dll s PRO 106 N 1.01 3.63 -0.16 8.23 0.04 -1.22 -4.85 135.00 141.68 2dll s PRO 106 Ca 0.07 1.72 -0.25 0.00 0.04 0.00 0.00 61.00 62.58 2dll s PRO 106 Cb -0.20 -2.27 0.06 0.00 0.04 0.00 0.00 34.50 32.13 2dll s PRO 106 CO -0.06 -0.65 0.63 1.52 0.04 0.00 0.00 177.00 178.48 2dll s TYR 107 N -1.62 -0.65 -0.22 0.56 1.13 -0.99 -1.49 117.35 114.08 2dll s TYR 107 Ca 0.67 1.41 -0.06 0.00 -1.41 0.00 0.00 57.07 57.67 2dll s TYR 107 Cb -0.27 0.29 -0.03 0.00 -1.10 0.00 0.00 41.96 40.85 2dll s TYR 107 CO 0.32 -0.44 0.03 0.15 -2.51 0.00 0.00 175.55 173.11 2dll s LYS 108 N -0.32 3.68 -0.03 -3.49 1.02 0.20 -2.78 119.74 118.01 2dll s LYS 108 Ca -0.05 -0.48 -0.14 0.00 0.02 0.00 0.00 55.97 55.32 2dll s LYS 108 Cb -0.03 -3.19 -0.05 0.00 -0.52 0.00 0.00 37.83 34.04 2dll s LYS 108 CO 0.04 -0.02 0.36 0.08 -0.92 0.00 0.00 175.35 174.89 2dll s VAL 109 N 1.14 5.12 0.04 3.17 1.01 -1.26 -1.60 120.40 128.02 2dll s VAL 109 Ca 0.03 0.73 0.01 0.00 0.00 0.00 0.00 61.98 62.76 2dll s VAL 109 Cb -0.14 -3.67 -0.03 0.00 0.00 0.00 0.00 36.38 32.54 2dll s VAL 109 CO 0.02 0.56 -0.05 -0.31 0.00 0.00 0.00 175.10 175.32 2dll s TYR 110 N -0.88 0.52 -0.13 5.22 1.51 -1.10 -1.87 117.35 120.62 2dll s TYR 110 Ca 0.22 -0.65 0.02 0.00 -1.01 0.00 0.00 57.07 55.65 2dll s TYR 110 Cb -0.16 -0.34 0.00 0.00 -0.11 0.00 0.00 41.96 41.36 2dll s TYR 110 CO 0.11 -0.18 -0.20 0.50 -1.11 0.00 0.00 175.55 174.68 2dll s ARG 111 N -2.20 3.12 -0.60 -0.62 3.52 -0.89 -3.23 118.95 118.07 2dll s ARG 111 Ca -0.07 -0.82 -0.27 0.00 -0.13 0.00 0.00 55.73 54.45 2dll s ARG 111 Cb -0.05 -2.46 -0.01 0.00 -1.56 0.00 0.00 34.95 30.87 2dll s ARG 111 CO -0.02 0.09 1.67 0.42 -0.81 0.00 0.00 175.30 176.64 2dll s ILE 112 N 0.60 3.51 -0.16 4.11 1.01 -1.14 0.04 121.20 129.17 2dll s ILE 112 Ca -0.11 0.36 -0.29 0.00 0.00 0.00 0.00 60.65 60.61 2dll s ILE 112 Cb -0.16 -4.17 -0.00 0.00 0.01 0.00 0.00 42.46 38.13 2dll s ILE 112 CO 0.03 -1.07 1.05 -0.69 0.00 0.00 0.00 174.94 174.26 2dll s VAL 113 N 7.71 4.68 0.81 2.92 1.01 0.56 -4.96 120.40 133.12 2dll s VAL 113 Ca 0.60 1.98 -0.14 0.00 0.00 0.00 0.00 61.98 64.43 2dll s VAL 113 Cb -0.12 -4.28 0.20 0.00 0.00 0.00 0.00 36.38 32.18 2dll s VAL 113 CO 0.22 -0.09 0.71 -0.81 0.00 0.00 0.00 175.10 175.13 2dll n PRO 114 N 5.72 -2.42 -2.29 2.72 -0.04 -1.26 -4.54 135.00 132.89 2dll n PRO 114 Ca 0.11 -1.14 -0.26 0.00 -0.04 0.00 0.00 63.50 62.16 2dll n PRO 114 Cb 0.47 -1.07 0.14 0.00 -0.04 0.00 0.00 33.50 33.00 2dll n PRO 114 CO 0.00 0.00 0.00 -1.83 -0.04 0.00 0.00 175.50 173.63 2dll s GLU 115 N -4.62 1.22 -0.01 0.54 -1.05 -1.26 -4.97 118.70 108.55 2dll s GLU 115 Ca 0.46 -0.80 0.05 0.00 -0.15 0.00 0.00 54.97 54.54 2dll s GLU 115 Cb -0.05 -2.11 -0.01 0.00 -0.44 0.00 0.00 34.13 31.52 2dll s GLU 115 CO 0.36 -1.88 -0.17 0.45 0.95 0.00 0.00 175.26 174.97 2dll s SER 116 N -4.81 1.98 0.00 0.83 0.15 -1.26 -5.12 113.70 105.47 2dll s SER 116 Ca 0.70 -0.32 0.00 0.00 0.70 0.00 0.00 55.95 57.03 2dll s SER 116 Cb -0.05 -0.21 0.00 0.00 -1.71 0.00 0.00 66.02 64.05 2dll s SER 116 CO 0.48 0.20 0.00 0.61 1.20 0.00 0.00 173.24 175.73 2dll n GLY 117 N 2.59 2.88 3.61 9.45 0.00 -1.26 -5.10 105.19 117.36 2dll n GLY 117 Ca -0.15 -0.94 -0.43 0.00 0.00 0.00 0.00 46.02 44.51 2dll n GLY 117 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 2dll s PRO 118 N -2.00 3.55 0.25 1.61 0.04 -1.26 -5.00 135.00 132.19 2dll s PRO 118 Ca 0.00 1.44 -0.11 0.00 0.04 0.00 0.00 61.00 62.37 2dll s PRO 118 Cb 0.00 -4.11 -0.08 0.00 0.04 0.00 0.00 34.50 30.35 2dll s PRO 118 CO 0.00 -1.60 0.60 -1.54 0.04 0.00 0.00 177.00 174.50 2dll s SER 119 N 5.05 6.66 0.37 6.66 1.04 -1.26 -5.10 113.70 127.13 2dll s SER 119 Ca 0.74 1.01 0.08 0.00 0.48 0.00 0.00 55.95 58.26 2dll s SER 119 Cb -0.22 -2.26 -0.06 0.00 0.10 0.00 0.00 66.02 63.58 2dll s SER 119 CO 0.32 -0.10 0.07 -0.44 0.98 0.00 0.00 173.24 174.07 2dll s SER 120 N -2.33 4.22 0.00 7.02 0.01 -1.26 -5.33 113.70 116.03 2dll s SER 120 Ca 0.49 -1.07 0.00 0.00 1.31 0.00 0.00 55.95 56.68 2dll s SER 120 Cb -0.11 -0.50 0.00 0.00 0.21 0.00 0.00 66.02 65.62 2dll s SER 120 CO 0.20 -0.37 0.00 0.61 0.41 0.00 0.00 173.24 174.09