#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 -0.56 -0.05 1.61 7.64 -1.26 -2.45 113.62 118.55 2dll n SER 2 Ca 0.00 1.54 -0.01 0.00 1.01 0.00 0.00 58.87 61.41 2dll n SER 2 Cb 0.00 -0.36 -0.00 0.00 -1.01 0.00 0.00 64.21 62.84 2dll n SER 2 CO 0.00 0.00 0.00 -1.28 -3.01 0.00 0.00 175.04 170.75 2dll h SER 3 N 0.00 0.00 -0.82 6.43 0.87 -2.13 -3.49 113.55 114.41 2dll h SER 3 Ca 0.31 0.00 0.19 0.00 -1.23 0.00 0.00 61.79 61.07 2dll h SER 3 Cb 0.53 0.00 -0.24 0.00 -0.44 0.00 0.00 62.40 62.25 2dll h SER 3 CO -0.88 0.53 0.27 -0.83 -0.53 0.00 0.00 176.83 175.39 2dll s GLY 4 N -3.62 -0.12 -0.18 5.77 0.00 -1.02 -5.05 107.32 103.09 2dll s GLY 4 Ca -0.03 3.14 -0.11 0.00 0.00 0.00 0.00 44.72 47.72 2dll s GLY 4 CO 0.04 3.29 0.16 -1.26 0.00 0.00 0.00 173.10 175.34 2dll n SER 5 N 4.92 2.01 -4.66 1.64 2.88 -1.26 -4.92 113.62 114.23 2dll n SER 5 Ca -0.08 0.25 -0.29 0.00 -1.33 0.00 0.00 58.87 57.42 2dll n SER 5 Cb 0.53 -0.84 0.17 0.00 -0.75 0.00 0.00 64.21 63.33 2dll n SER 5 CO 0.00 0.00 0.00 -0.55 -1.23 0.00 0.00 175.04 173.26 2dll s SER 6 N -6.97 2.64 0.00 -3.46 0.15 -1.26 -4.41 113.70 100.39 2dll s SER 6 Ca -0.28 1.09 0.00 0.00 0.70 0.00 0.00 55.95 57.47 2dll s SER 6 Cb 0.08 -1.72 0.00 0.00 -1.71 0.00 0.00 66.02 62.66 2dll s SER 6 CO 0.66 -3.11 0.00 0.61 1.20 0.00 0.00 173.24 172.60 2dll n GLY 7 N -1.30 3.16 0.21 9.45 0.00 -1.26 -4.93 105.19 110.52 2dll n GLY 7 Ca 0.06 -1.06 -0.04 0.00 0.00 0.00 0.00 46.02 44.98 2dll n GLY 7 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 2dll h LYS 8 N 0.00 -0.03 -1.02 1.61 6.56 -1.97 -0.23 116.57 121.48 2dll h LYS 8 Ca 0.00 0.00 0.42 0.00 -1.06 0.00 0.00 60.65 60.01 2dll h LYS 8 Cb 0.00 0.01 -0.18 0.00 -0.57 0.00 0.00 32.23 31.49 2dll h LYS 8 CO 0.00 -0.02 0.56 1.25 -2.06 0.00 0.00 179.45 179.18 2dll h LEU 9 N -0.03 0.32 -0.24 2.94 5.85 -1.92 0.15 115.31 122.38 2dll h LEU 9 Ca 0.22 0.25 0.02 0.00 0.84 0.00 0.00 57.88 59.22 2dll h LEU 9 Cb 0.37 0.26 -0.03 0.00 0.37 0.00 0.00 40.66 41.63 2dll h LEU 9 CO -0.49 -0.42 -0.19 -0.09 -0.34 0.00 0.00 178.44 176.90 2dll h ARG 10 N 0.01 -0.06 0.02 1.25 9.65 -1.45 0.21 114.38 124.00 2dll h ARG 10 Ca 0.85 0.00 -0.10 0.00 -1.10 0.00 0.00 59.98 59.63 2dll h ARG 10 Cb 2.26 0.01 0.01 0.00 -1.39 0.00 0.00 29.97 30.86 2dll h ARG 10 CO -0.75 -0.04 -0.40 0.37 2.80 0.00 0.00 179.97 181.95 2dll h GLN 11 N -0.07 0.23 -0.23 0.20 5.75 -1.31 -3.17 115.11 116.51 2dll h GLN 11 Ca 0.04 -0.28 0.02 0.00 -0.15 0.00 0.00 58.65 58.28 2dll h GLN 11 Cb 0.17 0.09 -0.03 0.00 1.07 0.00 0.00 27.48 28.78 2dll h GLN 11 CO -0.26 1.02 -0.15 2.35 -2.65 0.00 0.00 178.83 179.15 2dll h TRP 12 N -0.43 -0.47 0.11 3.99 7.01 -0.62 0.15 115.95 125.69 2dll h TRP 12 Ca -0.06 0.03 0.01 0.00 2.11 0.00 0.00 58.89 60.98 2dll h TRP 12 Cb 1.18 0.23 -0.04 0.00 -2.10 0.00 0.00 29.16 28.44 2dll h TRP 12 CO 0.18 -0.09 -0.41 1.25 -2.79 0.00 0.00 178.44 176.58 2dll h LEU 13 N -0.01 -1.21 -0.79 0.65 5.85 -1.11 -2.10 115.31 116.58 2dll h LEU 13 Ca 0.04 0.13 0.18 0.00 0.84 0.00 0.00 57.88 59.07 2dll h LEU 13 Cb 0.11 0.45 -0.15 0.00 0.37 0.00 0.00 40.66 41.43 2dll h LEU 13 CO -0.22 -0.43 -0.11 -0.38 -0.34 0.00 0.00 178.44 176.95 2dll n ILE 14 N -4.76 -0.33 -0.17 4.05 5.41 -0.90 0.12 119.36 122.79 2dll n ILE 14 Ca -0.07 1.78 -0.03 0.00 1.00 0.00 0.00 62.75 65.44 2dll n ILE 14 Cb 0.32 -2.52 0.04 0.00 -0.71 0.00 0.00 39.64 36.77 2dll n ILE 14 CO 0.00 0.00 0.00 -0.78 0.00 0.00 0.00 176.55 175.77 2dll h ASP 15 N 0.00 -0.53 0.52 4.38 3.58 -0.26 -0.06 116.42 124.05 2dll h ASP 15 Ca 0.42 0.16 -0.03 0.00 0.42 0.00 0.00 57.03 58.01 2dll h ASP 15 Cb 0.75 0.34 0.01 0.00 1.72 0.00 0.00 39.33 42.14 2dll h ASP 15 CO -0.78 -0.18 -0.25 1.56 -2.88 0.00 0.00 179.24 176.70 2dll h GLN 16 N -0.02 -0.68 -0.95 0.28 1.08 0.10 0.60 115.11 115.53 2dll h GLN 16 Ca 0.25 0.05 0.24 0.00 -1.45 0.00 0.00 58.65 57.74 2dll h GLN 16 Cb 0.40 0.15 -0.13 0.00 -0.05 0.00 0.00 27.48 27.85 2dll h GLN 16 CO -0.54 -0.42 0.48 0.82 -0.95 0.00 0.00 178.83 178.21 2dll h ILE 17 N -0.77 0.48 0.13 2.54 2.04 -0.80 0.82 117.51 121.94 2dll h ILE 17 Ca -0.07 -0.16 -0.01 0.00 1.00 0.00 0.00 64.86 65.63 2dll h ILE 17 Cb 0.57 -0.02 0.00 0.00 -0.74 0.00 0.00 36.82 36.63 2dll h ILE 17 CO 0.12 0.08 -0.06 -0.78 0.00 0.00 0.00 178.15 177.51 2dll h ASP 18 N 0.46 -0.14 -1.40 1.72 1.82 -0.77 -3.23 116.42 114.87 2dll h ASP 18 Ca 0.61 0.00 0.41 0.00 -0.39 0.00 0.00 57.03 57.66 2dll h ASP 18 Cb 1.19 0.04 -0.06 0.00 0.68 0.00 0.00 39.33 41.18 2dll h ASP 18 CO -0.52 -0.01 1.17 0.77 -1.61 0.00 0.00 179.24 179.04 2dll h SER 19 N -0.36 0.00 -4.04 2.28 4.64 -0.60 -3.44 113.55 112.03 2dll h SER 19 Ca -0.02 0.00 -0.36 0.00 -0.47 0.00 0.00 61.79 60.94 2dll h SER 19 Cb 0.13 0.00 -0.00 0.00 -0.31 0.00 0.00 62.40 62.22 2dll h SER 19 CO 0.03 0.00 -0.51 0.61 -0.87 0.00 0.00 176.83 176.09 2dll n GLY 20 N -1.79 -0.51 0.19 -0.77 0.00 0.26 -4.86 105.19 97.71 2dll n GLY 20 Ca 0.31 0.05 -0.12 0.00 0.00 0.00 0.00 46.02 46.26 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 -0.57 0.55 -6.39 1.61 1.57 -1.85 -3.44 116.57 108.05 2dll h LYS 21 Ca -0.45 -0.45 -0.55 0.00 -1.87 0.00 0.00 60.65 57.34 2dll h LYS 21 Cb 1.32 0.09 -0.04 0.00 0.08 0.00 0.00 32.23 33.68 2dll h LYS 21 CO 0.51 1.07 0.09 0.71 -0.57 0.00 0.00 179.45 181.26 2dll s TYR 22 N -3.68 3.86 0.39 -1.35 1.51 -1.26 -5.05 117.35 111.77 2dll s TYR 22 Ca -0.07 1.47 -0.26 0.00 -1.01 0.00 0.00 57.07 57.20 2dll s TYR 22 Cb 0.10 -2.66 -0.09 0.00 -0.11 0.00 0.00 41.96 39.21 2dll s TYR 22 CO 0.86 0.53 1.19 -1.25 -1.11 0.00 0.00 175.55 175.78 2dll s PRO 23 N -1.06 4.08 0.00 -1.71 0.04 -1.26 -3.54 135.00 131.55 2dll s PRO 23 Ca 0.33 1.90 0.00 0.00 0.04 0.00 0.00 61.00 63.27 2dll s PRO 23 Cb -0.21 -2.73 0.00 0.00 0.04 0.00 0.00 34.50 31.60 2dll s PRO 23 CO 0.23 -0.32 0.00 0.41 0.04 0.00 0.00 177.00 177.36 2dll n GLY 24 N 0.67 1.87 3.67 0.56 0.00 -1.26 -4.73 105.19 105.97 2dll n GLY 24 Ca 0.04 -0.23 -0.42 0.00 0.00 0.00 0.00 46.02 45.41 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 4.33 0.22 0.99 0.20 -1.23 -4.56 118.68 118.63 2dll s LEU 25 Ca 0.00 2.28 -0.23 0.00 0.69 0.00 0.00 54.13 56.87 2dll s LEU 25 Cb 0.00 -3.54 0.04 0.00 -0.43 0.00 0.00 46.19 42.26 2dll s LEU 25 CO 0.00 -0.89 0.81 0.68 -0.29 0.00 0.00 176.35 176.66 2dll s VAL 26 N 3.50 0.00 -0.23 1.68 -7.23 -0.87 -4.78 120.40 112.47 2dll s VAL 26 Ca 0.72 -0.80 -0.18 0.00 -1.81 0.00 0.00 61.98 59.91 2dll s VAL 26 Cb -0.35 -1.93 -0.03 0.00 0.56 0.00 0.00 36.38 34.63 2dll s VAL 26 CO 0.30 0.00 0.49 0.26 -0.31 0.00 0.00 175.10 175.84 2dll s TRP 27 N -3.65 3.31 0.52 2.82 0.52 -1.26 -0.19 118.94 121.02 2dll s TRP 27 Ca 0.11 0.66 0.17 0.00 0.02 0.00 0.00 56.10 57.06 2dll s TRP 27 Cb -0.04 -2.67 1.30 0.00 -1.15 0.00 0.00 33.47 30.91 2dll s TRP 27 CO 0.04 -0.18 2.16 0.93 0.02 0.00 0.00 176.95 179.91 2dll h GLU 28 N 7.76 0.00 -5.19 4.98 5.08 0.16 -3.44 114.58 123.94 2dll h GLU 28 Ca -0.32 0.00 -0.59 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 0.72 0.00 -0.54 0.54 -1.00 0.00 0.00 179.01 178.73 2dll s ASN 29 N -7.02 3.28 0.07 1.42 2.20 -1.18 -5.05 114.94 108.66 2dll s ASN 29 Ca -0.05 -1.59 0.04 0.00 -0.94 0.00 0.00 52.86 50.32 2dll s ASN 29 Cb 0.17 0.32 -0.24 0.00 -2.00 0.00 0.00 41.25 39.50 2dll s ASN 29 CO 0.66 -0.80 1.09 -0.33 -2.94 0.00 0.00 177.10 174.79 2dll h GLU 30 N 1.70 0.10 0.00 3.55 5.08 -1.94 -3.23 114.58 119.83 2dll h GLU 30 Ca -0.40 -0.17 0.00 0.00 -1.00 0.00 0.00 59.36 57.80 2dll h GLU 30 Cb 1.28 0.06 0.00 0.00 0.50 0.00 0.00 28.75 30.59 2dll h GLU 30 CO 0.67 0.99 0.00 -0.85 -1.00 0.00 0.00 179.01 178.82 2dll n GLU 31 N -3.36 0.12 -2.89 2.33 0.28 -1.26 -4.83 120.64 111.04 2dll n GLU 31 Ca -0.07 0.59 -0.17 0.00 -0.16 0.00 0.00 57.16 57.35 2dll n GLU 31 Cb 0.99 -1.88 0.03 0.00 1.43 0.00 0.00 31.44 32.01 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 -2.14 -3.98 -0.13 3.44 4.76 -1.22 -4.92 118.16 113.96 2dll n LYS 32 Ca -0.01 0.68 -0.20 0.00 -2.87 0.00 0.00 58.31 55.91 2dll n LYS 32 Cb 0.05 -5.07 -0.12 0.00 -1.84 0.00 0.00 35.03 28.05 2dll n LYS 32 CO 0.00 0.00 0.00 0.45 -1.37 0.00 0.00 177.40 176.48 2dll n SER 33 N -1.50 1.98 -4.19 4.39 2.88 -1.26 -4.88 113.62 111.04 2dll n SER 33 Ca -0.07 -0.07 -0.35 0.00 -1.33 0.00 0.00 58.87 57.04 2dll n SER 33 Cb 0.59 -0.47 -0.13 0.00 -0.75 0.00 0.00 64.21 63.44 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 -2.52 3.10 0.30 2.46 1.09 -1.26 -1.60 121.20 122.77 2dll s ILE 34 Ca -0.35 -1.35 0.10 0.00 -1.10 0.00 0.00 60.65 57.95 2dll s ILE 34 Cb 0.10 -2.78 -0.05 0.00 -1.06 0.00 0.00 42.46 38.67 2dll s ILE 34 CO 0.58 -0.12 -0.08 0.72 -0.10 0.00 0.00 174.94 175.95 2dll s PHE 35 N 1.27 2.47 -0.09 3.97 -0.71 -1.14 0.18 117.98 123.93 2dll s PHE 35 Ca -0.05 -0.36 0.03 0.00 -1.04 0.00 0.00 56.93 55.51 2dll s PHE 35 Cb -0.20 -1.23 0.01 0.00 -1.21 0.00 0.00 43.02 40.39 2dll s PHE 35 CO -0.01 0.61 -0.18 -0.98 -1.34 0.00 0.00 175.22 173.32 2dll s ARG 36 N -3.62 2.43 -0.09 1.99 1.70 0.73 -2.29 118.95 119.80 2dll s ARG 36 Ca 0.32 -0.66 0.00 0.00 -0.47 0.00 0.00 55.73 54.92 2dll s ARG 36 Cb -0.03 -1.92 -0.03 0.00 -0.57 0.00 0.00 34.95 32.41 2dll s ARG 36 CO 0.18 0.08 -0.09 -1.50 -1.08 0.00 0.00 175.30 172.88 2dll s ILE 37 N 0.58 3.45 -0.20 4.99 2.07 -0.69 -2.06 121.20 129.34 2dll s ILE 37 Ca -0.15 -0.55 -0.29 0.00 -1.41 0.00 0.00 60.65 58.25 2dll s ILE 37 Cb -0.17 -2.43 -0.03 0.00 0.13 0.00 0.00 42.46 39.97 2dll s ILE 37 CO 0.05 0.56 1.60 -2.16 -1.91 0.00 0.00 174.94 173.08 2dll s PRO 38 N -0.32 3.87 -0.41 3.50 0.04 -1.26 0.65 135.00 141.07 2dll s PRO 38 Ca 0.04 1.72 -0.05 0.00 0.04 0.00 0.00 61.00 62.75 2dll s PRO 38 Cb -0.13 -4.01 0.10 0.00 0.04 0.00 0.00 34.50 30.50 2dll s PRO 38 CO 0.02 -1.20 0.22 -0.46 0.04 0.00 0.00 177.00 175.62 2dll s TRP 39 N 4.95 3.47 0.18 0.56 -0.11 -0.31 -4.90 118.94 122.79 2dll s TRP 39 Ca 0.70 -2.07 -0.19 0.00 1.22 0.00 0.00 56.10 55.76 2dll s TRP 39 Cb -0.26 -3.12 0.04 0.00 -1.50 0.00 0.00 33.47 28.64 2dll s TRP 39 CO 0.28 -0.94 0.55 -1.59 -4.62 0.00 0.00 176.95 170.63 2dll s LYS 40 N 1.25 1.35 -0.27 5.86 -2.85 -1.26 -4.42 119.74 119.40 2dll s LYS 40 Ca 0.05 -0.75 -0.03 0.00 -1.00 0.00 0.00 55.97 54.25 2dll s LYS 40 Cb -0.23 0.54 0.09 0.00 -2.06 0.00 0.00 37.83 36.17 2dll s LYS 40 CO -0.02 -0.58 0.10 -1.58 0.10 0.00 0.00 175.35 173.37 2dll s HIS 41 N -3.83 0.95 0.03 1.78 5.65 -1.26 -5.04 115.29 113.56 2dll s HIS 41 Ca 0.06 -1.17 -0.09 0.00 0.25 0.00 0.00 55.06 54.12 2dll s HIS 41 Cb -0.01 -1.22 -0.04 0.00 -1.18 0.00 0.00 32.58 30.13 2dll s HIS 41 CO -0.06 -0.79 1.14 0.00 -0.65 0.00 0.00 174.74 174.38 2dll h ALA 42 N 8.26 -0.71 0.00 1.58 0.00 -2.01 -3.47 119.26 122.92 2dll h ALA 42 Ca -0.17 -0.03 0.00 0.00 0.00 0.00 0.00 54.91 54.71 2dll h ALA 42 Cb 1.04 0.52 0.00 0.00 0.00 0.00 0.00 17.79 19.35 2dll h ALA 42 CO 0.43 -0.74 0.00 0.41 0.00 0.00 0.00 179.25 179.35 2dll n GLY 43 N -1.13 3.14 3.68 0.00 0.00 -1.26 -5.08 105.19 104.55 2dll n GLY 43 Ca -0.02 -1.02 -0.30 0.00 0.00 0.00 0.00 46.02 44.67 2dll n GLY 43 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2dll s LYS 44 N 0.00 1.13 -0.03 1.61 1.02 -1.26 -4.99 119.74 117.22 2dll s LYS 44 Ca 0.00 1.27 0.01 0.00 0.02 0.00 0.00 55.97 57.27 2dll s LYS 44 Cb 0.00 -1.76 -0.03 0.00 -0.52 0.00 0.00 37.83 35.52 2dll s LYS 44 CO 0.00 -2.46 -0.01 1.04 -0.92 0.00 0.00 175.35 173.00 2dll n GLN 45 N -4.09 2.26 0.30 1.68 3.00 -1.26 -4.61 117.38 114.65 2dll n GLN 45 Ca 0.09 0.01 0.18 0.00 -0.01 0.00 0.00 57.00 57.27 2dll n GLN 45 Cb 0.53 -1.06 1.00 0.00 0.00 0.00 0.00 30.24 30.70 2dll n GLN 45 CO 0.00 0.00 0.00 -0.44 0.00 0.00 0.00 177.06 176.62 2dll h ASP 46 N 0.00 0.00 -4.07 1.08 3.32 -2.06 -3.43 116.42 111.26 2dll h ASP 46 Ca -0.07 0.00 -0.45 0.00 0.02 0.00 0.00 57.03 56.53 2dll h ASP 46 Cb 1.14 0.00 0.14 0.00 0.22 0.00 0.00 39.33 40.83 2dll h ASP 46 CO -0.00 0.00 0.40 -0.72 -1.72 0.00 0.00 179.24 177.20 2dll s TYR 47 N -4.45 1.98 -0.37 4.55 1.13 -1.26 -4.96 117.35 113.96 2dll s TYR 47 Ca -0.05 0.40 -0.29 0.00 -1.41 0.00 0.00 57.07 55.72 2dll s TYR 47 Cb 0.14 -3.88 -0.01 0.00 -1.10 0.00 0.00 41.96 37.12 2dll s TYR 47 CO 0.49 -2.35 1.62 -0.80 -2.51 0.00 0.00 175.55 172.00 2dll s ASN 48 N -4.79 6.08 -0.14 -0.18 0.01 -1.26 -4.86 114.94 109.80 2dll s ASN 48 Ca 0.70 1.06 -0.15 0.00 -0.71 0.00 0.00 52.86 53.76 2dll s ASN 48 Cb -0.06 -2.53 -0.24 0.00 0.41 0.00 0.00 41.25 38.83 2dll s ASN 48 CO 0.51 -1.60 0.39 0.03 -1.51 0.00 0.00 177.10 174.92 2dll h ARG 49 N 11.91 0.17 -0.99 -0.60 2.47 -1.93 -3.28 114.38 122.13 2dll h ARG 49 Ca -0.31 -0.28 0.17 0.00 -1.26 0.00 0.00 59.98 58.30 2dll h ARG 49 Cb 1.14 0.11 -0.09 0.00 -1.65 0.00 0.00 29.97 29.47 2dll h ARG 49 CO 1.06 1.14 0.62 1.05 0.56 0.00 0.00 179.97 184.39 2dll h GLU 50 N -0.43 0.77 0.57 0.04 4.11 -1.91 0.30 114.58 118.03 2dll h GLU 50 Ca -0.35 -0.05 -0.03 0.00 0.07 0.00 0.00 59.36 59.00 2dll h GLU 50 Cb 1.68 -0.17 0.01 0.00 0.50 0.00 0.00 28.75 30.77 2dll h GLU 50 CO -0.02 0.51 -0.27 1.49 0.07 0.00 0.00 179.01 180.78 2dll h GLU 51 N 0.79 -0.74 -0.92 1.06 4.22 -1.97 1.92 114.58 118.95 2dll h GLU 51 Ca 0.54 0.05 0.10 0.00 0.08 0.00 0.00 59.36 60.13 2dll h GLU 51 Cb 0.80 0.17 -0.07 0.00 0.50 0.00 0.00 28.75 30.15 2dll h GLU 51 CO -0.32 -0.43 0.59 0.22 -2.18 0.00 0.00 179.01 176.89 2dll h ASP 52 N -1.09 0.84 -0.47 1.04 3.58 -1.50 -0.51 116.42 118.31 2dll h ASP 52 Ca -0.08 0.02 0.00 0.00 0.42 0.00 0.00 57.03 57.40 2dll h ASP 52 Cb 0.64 -0.15 0.00 0.00 1.72 0.00 0.00 39.33 41.54 2dll h ASP 52 CO 0.13 0.49 0.00 0.00 -2.88 0.00 0.00 179.24 176.98 2dll n ALA 53 N -2.39 3.28 -0.27 -0.78 0.00 0.10 -4.55 120.51 115.89 2dll n ALA 53 Ca 0.16 -1.92 0.04 0.00 0.00 0.00 0.00 53.44 51.72 2dll n ALA 53 Cb 0.30 -0.91 0.27 0.00 0.00 0.00 0.00 19.45 19.11 2dll n ALA 53 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 2dll h ALA 54 N 3.15 1.55 0.01 0.00 0.00 0.48 0.30 119.26 124.75 2dll h ALA 54 Ca 0.00 -0.03 -0.00 0.00 0.00 0.00 0.00 54.91 54.88 2dll h ALA 54 Cb 1.59 -0.26 0.00 0.00 0.00 0.00 0.00 17.79 19.13 2dll h ALA 54 CO 0.31 0.33 -0.00 1.25 0.00 0.00 0.00 179.25 181.13 2dll h LEU 55 N 0.97 -0.01 -0.03 0.00 5.85 -1.80 -2.77 115.31 117.51 2dll h LEU 55 Ca 0.36 -0.68 0.01 0.00 0.84 0.00 0.00 57.88 58.41 2dll h LEU 55 Cb 0.18 0.00 -0.01 0.00 0.37 0.00 0.00 40.66 41.21 2dll h LEU 55 CO -0.13 0.68 -0.01 -0.26 -0.34 0.00 0.00 178.44 178.39 2dll h PHE 56 N -0.71 -0.02 -0.27 1.25 0.04 -1.80 -2.91 116.94 112.51 2dll h PHE 56 Ca -0.00 0.00 0.06 0.00 2.80 0.00 0.00 57.97 60.83 2dll h PHE 56 Cb 0.69 0.01 -0.06 0.00 2.20 0.00 0.00 35.95 38.79 2dll h PHE 56 CO 0.17 -0.02 -0.13 -0.22 -0.60 0.00 0.00 178.31 177.51 2dll h LYS 57 N -0.01 -0.09 -1.00 1.51 3.64 -0.51 -1.17 116.57 118.95 2dll h LYS 57 Ca 0.02 0.01 0.34 0.00 -1.27 0.00 0.00 60.65 59.75 2dll h LYS 57 Cb 0.03 0.02 -0.16 0.00 -0.41 0.00 0.00 32.23 31.71 2dll h LYS 57 CO -0.03 -0.06 0.56 0.00 -2.27 0.00 0.00 179.45 177.65 2dll h ALA 58 N 1.13 2.01 0.23 5.00 0.00 -1.29 -0.93 119.26 125.41 2dll h ALA 58 Ca 0.14 0.21 -0.00 0.00 0.00 0.00 0.00 54.91 55.26 2dll h ALA 58 Cb 0.31 0.19 -0.02 0.00 0.00 0.00 0.00 17.79 18.27 2dll h ALA 58 CO -0.33 -0.66 -0.34 2.35 0.00 0.00 0.00 179.25 180.27 2dll h TRP 59 N 0.25 -0.95 0.06 0.00 -0.00 -1.14 0.17 115.95 114.34 2dll h TRP 59 Ca 0.76 0.01 0.00 0.00 -0.00 0.00 0.00 58.89 59.67 2dll h TRP 59 Cb 1.81 0.38 -0.02 0.00 -0.00 0.00 0.00 29.16 31.34 2dll h TRP 59 CO -0.01 -0.42 -0.19 0.00 -0.00 0.00 0.00 178.44 177.82 2dll h ALA 60 N -1.09 -0.74 -0.98 2.65 0.00 -1.22 0.22 119.26 118.10 2dll h ALA 60 Ca -0.03 -0.04 0.33 0.00 0.00 0.00 0.00 54.91 55.17 2dll h ALA 60 Cb 0.54 0.59 -0.16 0.00 0.00 0.00 0.00 17.79 18.76 2dll h ALA 60 CO -0.10 -0.78 0.48 -0.07 0.00 0.00 0.00 179.25 178.79 2dll h LEU 61 N -0.28 0.34 0.19 0.00 3.38 -1.44 -1.82 115.31 115.66 2dll h LEU 61 Ca -0.00 0.21 -0.01 0.00 0.09 0.00 0.00 57.88 58.17 2dll h LEU 61 Cb 0.28 0.21 0.00 0.00 0.09 0.00 0.00 40.66 41.24 2dll h LEU 61 CO -0.09 -0.22 -0.09 0.15 0.09 0.00 0.00 178.44 178.27 2dll h PHE 62 N 0.21 -0.23 -0.48 1.13 3.57 0.17 -3.33 116.94 117.98 2dll h PHE 62 Ca 0.73 -0.01 0.04 0.00 3.53 0.00 0.00 57.97 62.27 2dll h PHE 62 Cb 1.70 0.08 -0.06 0.00 2.79 0.00 0.00 35.95 40.46 2dll h PHE 62 CO -0.08 -0.14 -0.28 1.63 -2.23 0.00 0.00 178.31 177.21 2dll n LYS 63 N -2.91 -0.21 0.00 1.11 4.76 0.68 -4.71 118.16 116.88 2dll n LYS 63 Ca -0.03 1.02 0.00 0.00 -2.87 0.00 0.00 58.31 56.43 2dll n LYS 63 Cb 0.10 -1.51 0.00 0.00 -1.84 0.00 0.00 35.03 31.78 2dll n LYS 63 CO 0.00 0.00 0.00 0.41 -1.37 0.00 0.00 177.40 176.44 2dll n GLY 64 N -1.12 4.87 2.79 0.72 0.00 -0.77 -5.11 105.19 106.57 2dll n GLY 64 Ca 0.01 -1.55 -0.29 0.00 0.00 0.00 0.00 46.02 44.19 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 4.96 0.93 0.18 1.61 -0.14 -1.26 -4.68 119.74 121.34 2dll s LYS 65 Ca 0.00 -0.91 0.10 0.00 -1.36 0.00 0.00 55.97 53.80 2dll s LYS 65 Cb 0.00 -2.22 -0.04 0.00 -1.68 0.00 0.00 37.83 33.89 2dll s LYS 65 CO 0.00 -0.80 -0.17 0.12 -0.76 0.00 0.00 175.35 173.74 2dll s PHE 66 N 1.60 2.48 -0.07 3.18 2.19 -1.26 -5.05 117.98 121.05 2dll s PHE 66 Ca 0.03 -0.29 0.05 0.00 0.33 0.00 0.00 56.93 57.06 2dll s PHE 66 Cb -0.18 -1.23 -0.01 0.00 -1.31 0.00 0.00 43.02 40.30 2dll s PHE 66 CO -0.15 0.50 -0.23 1.03 1.83 0.00 0.00 175.22 178.19 2dll s ARG 67 N -2.70 2.68 -0.01 10.12 3.00 -1.26 -4.93 118.95 125.83 2dll s ARG 67 Ca 0.22 -0.87 0.15 0.00 0.00 0.00 0.00 55.73 55.23 2dll s ARG 67 Cb -0.09 -2.23 -0.20 0.00 0.00 0.00 0.00 34.95 32.44 2dll s ARG 67 CO 0.12 0.36 0.68 -0.85 0.00 0.00 0.00 175.30 175.62 2dll n GLU 68 N 3.02 0.63 0.12 3.54 0.28 -1.26 -2.76 120.64 124.21 2dll n GLU 68 Ca -0.18 0.25 -0.24 0.00 -0.16 0.00 0.00 57.16 56.83 2dll n GLU 68 Cb 0.52 -1.78 -0.15 0.00 1.43 0.00 0.00 31.44 31.46 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 3.62 0.54 0.00 -1.84 0.00 -2.01 -3.41 103.07 99.97 2dll h GLY 69 Ca -0.25 -1.39 0.00 0.00 0.00 0.00 0.00 47.33 45.69 2dll h GLY 69 CO 0.06 1.21 -0.16 -2.22 0.00 0.00 0.00 176.54 175.43 2dll h ILE 70 N 0.13 0.00 -3.98 2.60 2.04 -2.00 -3.47 117.51 112.83 2dll h ILE 70 Ca -0.29 -0.77 -0.45 0.00 1.00 0.00 0.00 64.86 64.34 2dll h ILE 70 Cb 2.14 0.00 -0.02 0.00 -0.74 0.00 0.00 36.82 38.20 2dll h ILE 70 CO 0.23 0.00 0.31 -1.81 0.00 0.00 0.00 178.15 176.89 2dll s ASP 71 N -5.08 7.01 -0.15 1.72 1.11 -1.11 -5.01 116.67 115.16 2dll s ASP 71 Ca -0.05 1.68 -0.29 0.00 0.18 0.00 0.00 52.55 54.07 2dll s ASP 71 Cb 0.01 -2.53 -0.01 0.00 1.07 0.00 0.00 42.92 41.45 2dll s ASP 71 CO 0.07 -0.27 1.16 -0.75 1.18 0.00 0.00 175.17 176.55 2dll s LYS 72 N -2.89 4.29 0.25 8.23 2.47 -1.26 -4.30 119.74 126.53 2dll s LYS 72 Ca 0.58 1.55 -0.30 0.00 -1.56 0.00 0.00 55.97 56.25 2dll s LYS 72 Cb -0.11 -3.65 -0.09 0.00 -1.46 0.00 0.00 37.83 32.51 2dll s LYS 72 CO 0.16 -0.57 1.27 -1.25 0.16 0.00 0.00 175.35 175.12 2dll s PRO 73 N 2.90 4.43 -0.27 4.03 0.04 -1.26 -5.03 135.00 139.85 2dll s PRO 73 Ca 0.51 2.05 -0.04 0.00 0.04 0.00 0.00 61.00 63.56 2dll s PRO 73 Cb -0.20 -3.16 0.09 0.00 0.04 0.00 0.00 34.50 31.27 2dll s PRO 73 CO 0.15 -0.14 0.12 -0.51 0.04 0.00 0.00 177.00 176.65 2dll s ASP 74 N -0.11 3.32 0.28 6.66 1.01 -1.26 -5.02 116.67 121.55 2dll s ASP 74 Ca 0.52 -1.17 0.02 0.00 0.71 0.00 0.00 52.55 52.63 2dll s ASP 74 Cb -0.36 -0.36 0.68 0.00 1.01 0.00 0.00 42.92 43.88 2dll s ASP 74 CO 0.43 -0.42 1.69 -0.65 0.21 0.00 0.00 175.17 176.43 2dll h PRO 75 N 8.39 0.35 -1.17 8.23 0.11 -1.99 0.26 132.00 146.18 2dll h PRO 75 Ca -0.19 -0.02 0.33 0.00 0.11 0.00 0.00 66.00 66.24 2dll h PRO 75 Cb 1.04 -0.08 -0.06 0.00 0.11 0.00 0.00 31.00 32.01 2dll h PRO 75 CO 0.41 0.23 0.82 -1.35 -0.21 0.00 0.00 178.00 177.90 2dll h PRO 76 N 0.36 0.09 0.01 1.05 0.11 -1.99 0.13 132.00 131.76 2dll h PRO 76 Ca 0.53 -0.01 -0.04 0.00 0.11 0.00 0.00 66.00 66.60 2dll h PRO 76 Cb 1.00 -0.02 0.00 0.00 0.11 0.00 0.00 31.00 32.10 2dll h PRO 76 CO -0.54 0.06 -0.17 1.15 -0.21 0.00 0.00 178.00 178.29 2dll h THR 77 N 0.09 1.61 -0.24 -1.15 2.02 -1.37 -2.69 112.91 111.18 2dll h THR 77 Ca 0.59 -2.01 -0.01 0.00 0.77 0.00 0.00 66.41 65.75 2dll h THR 77 Cb 2.12 2.93 -0.01 0.00 -1.74 0.00 0.00 68.15 71.45 2dll h THR 77 CO -0.09 0.54 0.13 -0.50 0.37 0.00 0.00 175.52 175.97 2dll h TRP 78 N -0.66 0.33 0.44 3.16 6.55 -1.06 0.20 115.95 124.91 2dll h TRP 78 Ca -0.02 -0.01 -0.01 0.00 0.95 0.00 0.00 58.89 59.80 2dll h TRP 78 Cb 0.97 -0.10 -0.01 0.00 -0.86 0.00 0.00 29.16 29.16 2dll h TRP 78 CO 0.20 0.29 -0.31 -0.22 -1.05 0.00 0.00 178.44 177.35 2dll h LYS 79 N 0.27 -0.71 0.75 0.49 3.64 -0.95 -2.22 116.57 117.83 2dll h LYS 79 Ca 0.08 0.05 -0.04 0.00 -1.27 0.00 0.00 60.65 59.48 2dll h LYS 79 Cb 0.07 0.16 0.01 0.00 -0.41 0.00 0.00 32.23 32.06 2dll h LYS 79 CO -0.01 -0.47 -0.37 1.15 -2.27 0.00 0.00 179.45 177.48 2dll h THR 80 N -0.74 0.25 -0.53 1.00 2.02 -1.43 0.11 112.91 113.60 2dll h THR 80 Ca -0.04 0.00 0.05 0.00 0.77 0.00 0.00 66.41 67.18 2dll h THR 80 Cb 0.63 0.25 -0.06 0.00 -1.74 0.00 0.00 68.15 67.22 2dll h THR 80 CO 0.02 0.00 -0.31 0.54 0.37 0.00 0.00 175.52 176.14 2dll n ARG 81 N -5.53 -0.23 0.31 6.66 5.12 0.70 -0.02 116.66 123.68 2dll n ARG 81 Ca -0.14 1.24 -0.12 0.00 -1.93 0.00 0.00 57.85 56.90 2dll n ARG 81 Cb 0.41 -1.84 -0.06 0.00 -1.16 0.00 0.00 32.46 29.81 2dll n ARG 81 CO 0.00 0.00 0.00 1.25 -1.93 0.00 0.00 177.63 176.95 2dll h LEU 82 N 0.00 -0.67 -0.59 0.55 5.85 -1.41 -3.13 115.31 115.91 2dll h LEU 82 Ca 0.08 0.02 0.05 0.00 0.84 0.00 0.00 57.88 58.88 2dll h LEU 82 Cb 0.22 0.17 -0.07 0.00 0.37 0.00 0.00 40.66 41.35 2dll h LEU 82 CO -0.49 -0.47 -0.35 -1.14 -0.34 0.00 0.00 178.44 175.65 2dll n ARG 83 N -4.20 -0.26 -0.31 1.25 0.63 0.37 -0.54 116.66 113.61 2dll n ARG 83 Ca -0.10 1.06 -0.08 0.00 -0.92 0.00 0.00 57.85 57.81 2dll n ARG 83 Cb 0.31 -1.56 -0.07 0.00 0.45 0.00 0.00 32.46 31.59 2dll n ARG 83 CO 0.00 0.00 0.00 0.00 -2.51 0.00 0.00 177.63 175.12 2dll h ALA 85 N 0.16 -0.79 -1.04 0.00 0.00 -0.76 0.38 119.26 117.21 2dll h ALA 85 Ca 0.12 -0.04 0.34 0.00 0.00 0.00 0.00 54.91 55.32 2dll h ALA 85 Cb 0.30 0.93 -0.08 0.00 0.00 0.00 0.00 17.79 18.94 2dll h ALA 85 CO -0.68 -0.95 0.69 -0.11 0.00 0.00 0.00 179.25 178.20 2dll n LEU 86 N -4.83 0.11 -0.06 0.00 7.94 -0.43 0.71 117.00 120.44 2dll n LEU 86 Ca -0.05 0.88 -0.05 0.00 -1.11 0.00 0.00 56.01 55.68 2dll n LEU 86 Cb 0.30 -0.43 -0.04 0.00 0.53 0.00 0.00 43.42 43.77 2dll n LEU 86 CO 0.06 -0.94 0.05 -1.13 -1.11 0.00 0.00 177.39 174.33 2dll h ASN 87 N 0.00 0.00 -0.69 1.96 -1.24 -0.62 -3.36 115.58 111.63 2dll h ASN 87 Ca 0.61 -0.31 0.14 0.00 0.71 0.00 0.00 56.30 57.45 2dll h ASN 87 Cb 2.09 0.00 -0.10 0.00 0.73 0.00 0.00 38.32 41.04 2dll h ASN 87 CO -0.24 0.71 0.17 0.11 -1.29 0.00 0.00 177.43 176.89 2dll h LYS 88 N -1.00 0.28 -6.11 6.67 1.79 0.12 -3.40 116.57 114.92 2dll h LYS 88 Ca -0.02 -0.02 -0.67 0.00 -2.18 0.00 0.00 60.65 57.77 2dll h LYS 88 Cb 0.39 -0.06 0.00 0.00 -1.58 0.00 0.00 32.23 30.98 2dll h LYS 88 CO -0.01 0.19 1.21 0.43 -1.08 0.00 0.00 179.45 180.19 2dll n SER 89 N -5.13 2.66 0.10 0.86 7.64 0.73 -4.84 113.62 115.65 2dll n SER 89 Ca 0.12 0.72 -0.21 0.00 1.01 0.00 0.00 58.87 60.51 2dll n SER 89 Cb 0.40 -1.28 -0.15 0.00 -1.01 0.00 0.00 64.21 62.16 2dll n SER 89 CO 0.00 0.00 0.00 0.78 -3.01 0.00 0.00 175.04 172.81 2dll h ASN 90 N 10.43 0.60 -1.75 6.43 4.21 -1.90 -3.31 115.58 130.30 2dll h ASN 90 Ca -0.39 -0.73 0.51 0.00 1.21 0.00 0.00 56.30 56.90 2dll h ASN 90 Cb 1.30 -0.20 -0.07 0.00 -1.12 0.00 0.00 38.32 38.23 2dll h ASN 90 CO 0.98 1.59 1.31 -0.90 -1.29 0.00 0.00 177.43 179.12 2dll n ASP 91 N -3.59 0.00 -4.90 5.81 5.68 -1.26 -4.24 116.55 114.05 2dll n ASP 91 Ca -0.17 0.90 -0.27 0.00 -0.50 0.00 0.00 54.79 54.75 2dll n ASP 91 Cb 1.07 -0.44 -0.04 0.00 -1.14 0.00 0.00 41.12 40.57 2dll n ASP 91 CO 0.00 0.00 0.00 -0.36 -1.33 0.00 0.00 177.20 175.51 2dll s PHE 92 N -4.66 3.41 0.11 2.11 0.08 -1.25 0.16 117.98 117.94 2dll s PHE 92 Ca -0.04 0.12 0.07 0.00 0.12 0.00 0.00 56.93 57.19 2dll s PHE 92 Cb 0.24 -1.65 -0.04 0.00 -0.57 0.00 0.00 43.02 40.99 2dll s PHE 92 CO 0.79 0.53 -0.09 -2.00 -0.10 0.00 0.00 175.22 174.35 2dll s GLU 93 N -2.99 2.15 -0.50 0.44 2.56 0.20 -4.79 118.70 115.76 2dll s GLU 93 Ca 0.34 -1.04 -0.27 0.00 0.00 0.00 0.00 54.97 54.00 2dll s GLU 93 Cb -0.11 -2.31 0.03 0.00 2.00 0.00 0.00 34.13 33.74 2dll s GLU 93 CO 0.27 0.50 1.03 -2.00 -0.56 0.00 0.00 175.26 174.50 2dll s GLU 94 N -2.30 3.55 -0.16 4.30 2.12 -1.26 -2.02 118.70 122.93 2dll s GLU 94 Ca 0.22 0.22 0.14 0.00 0.36 0.00 0.00 54.97 55.91 2dll s GLU 94 Cb -0.11 -3.95 0.69 0.00 0.26 0.00 0.00 34.13 31.01 2dll s GLU 94 CO 0.14 -1.38 1.56 1.28 -0.54 0.00 0.00 175.26 176.32 2dll n LEU 95 N 7.61 4.79 -0.48 2.70 4.77 -1.04 -4.59 117.00 130.75 2dll n LEU 95 Ca 0.07 -2.42 0.38 0.00 -0.03 0.00 0.00 56.01 54.01 2dll n LEU 95 Cb 0.49 -0.62 0.58 0.00 -2.33 0.00 0.00 43.42 41.54 2dll n LEU 95 CO 0.67 0.63 1.14 0.55 -1.33 0.00 0.00 177.39 179.06 2dll n VAL 96 N 0.71 0.00 -0.29 4.08 3.14 -1.25 0.79 118.33 125.52 2dll n VAL 96 Ca 0.24 1.14 0.11 0.00 -2.96 0.00 0.00 64.34 62.86 2dll n VAL 96 Cb 0.97 -1.92 0.26 0.00 -1.06 0.00 0.00 33.84 32.09 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 0.34 0.00 1.45 5.08 -1.92 0.98 114.58 120.51 2dll h GLU 97 Ca 0.67 -0.02 0.00 0.00 -1.00 0.00 0.00 59.36 59.01 2dll h GLU 97 Cb 2.86 -0.08 0.00 0.00 0.50 0.00 0.00 28.75 32.03 2dll h GLU 97 CO -0.01 0.23 -1.10 0.54 -1.00 0.00 0.00 179.01 177.67 2dll n ARG 98 N -5.09 0.54 -1.64 2.33 1.74 0.24 -4.93 116.66 109.84 2dll n ARG 98 Ca 0.19 0.06 -0.48 0.00 -0.77 0.00 0.00 57.85 56.86 2dll n ARG 98 Cb 0.59 -1.74 -0.04 0.00 -1.02 0.00 0.00 32.46 30.24 2dll n ARG 98 CO 0.00 0.00 0.00 0.43 -1.52 0.00 0.00 177.63 176.54 2dll n SER 99 N -2.47 2.44 -3.96 0.55 7.64 0.34 -4.91 113.62 113.25 2dll n SER 99 Ca 0.00 1.11 -0.31 0.00 1.01 0.00 0.00 58.87 60.68 2dll n SER 99 Cb 0.53 -1.34 -0.15 0.00 -1.01 0.00 0.00 64.21 62.23 2dll n SER 99 CO 0.00 0.00 0.00 -1.10 -3.01 0.00 0.00 175.04 170.93 2dll s GLN 100 N 0.40 1.55 -0.00 1.43 -1.52 -1.11 -4.93 119.66 115.49 2dll s GLN 100 Ca 0.78 -1.38 0.15 0.00 -1.95 0.00 0.00 55.36 52.95 2dll s GLN 100 Cb -0.77 -2.78 -0.17 0.00 -0.22 0.00 0.00 33.01 29.08 2dll s GLN 100 CO 0.44 -0.77 0.59 1.28 -0.25 0.00 0.00 175.29 176.58 2dll n LEU 101 N 4.50 0.60 -1.25 2.90 4.77 -1.26 -2.16 117.00 125.10 2dll n LEU 101 Ca -0.05 -0.44 0.05 0.00 -0.03 0.00 0.00 56.01 55.54 2dll n LEU 101 Cb 0.43 0.00 0.24 0.00 -2.33 0.00 0.00 43.42 41.76 2dll n LEU 101 CO 0.19 0.15 0.64 0.47 -1.33 0.00 0.00 177.39 177.51 2dll n ASP 102 N -1.43 3.61 -4.65 -1.43 8.00 -1.26 -4.64 116.55 114.74 2dll n ASP 102 Ca 0.02 -2.46 -0.23 0.00 0.71 0.00 0.00 54.79 52.83 2dll n ASP 102 Cb 0.25 -0.55 -0.07 0.00 -0.02 0.00 0.00 41.12 40.72 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 -1.94 3.25 0.20 0.53 -4.36 -1.26 -5.02 121.20 112.60 2dll s ILE 103 Ca 0.33 -1.89 -0.14 0.00 -0.26 0.00 0.00 60.65 58.69 2dll s ILE 103 Cb 0.24 -2.85 0.23 0.00 1.25 0.00 0.00 42.46 41.33 2dll s ILE 103 CO 0.12 -0.32 1.33 -0.24 0.24 0.00 0.00 174.94 176.06 2dll n SER 104 N -0.94 -0.52 -4.11 4.36 2.88 -1.26 -3.35 113.62 110.67 2dll n SER 104 Ca -0.05 1.49 -0.35 0.00 -1.33 0.00 0.00 58.87 58.62 2dll n SER 104 Cb 0.60 -0.36 -0.13 0.00 -0.75 0.00 0.00 64.21 63.58 2dll n SER 104 CO 0.00 0.00 0.00 -1.81 -1.23 0.00 0.00 175.04 172.00 2dll s ASP 105 N -5.30 5.09 0.50 -3.46 1.01 -1.26 -5.10 116.67 108.16 2dll s ASP 105 Ca -0.12 -1.90 -0.21 0.00 0.71 0.00 0.00 52.55 51.02 2dll s ASP 105 Cb 0.18 -1.77 -0.07 0.00 1.01 0.00 0.00 42.92 42.28 2dll s ASP 105 CO 0.62 -0.46 1.15 -2.16 0.21 0.00 0.00 175.17 174.53 2dll s PRO 106 N 1.12 3.57 -0.11 8.23 0.04 -1.21 -4.90 135.00 141.73 2dll s PRO 106 Ca 0.06 1.70 -0.30 0.00 0.04 0.00 0.00 61.00 62.51 2dll s PRO 106 Cb -0.21 -2.22 0.08 0.00 0.04 0.00 0.00 34.50 32.19 2dll s PRO 106 CO -0.04 -0.69 0.76 1.52 0.04 0.00 0.00 177.00 178.59 2dll s TYR 107 N -1.65 -0.62 -0.20 0.56 1.13 -0.92 -1.16 117.35 114.50 2dll s TYR 107 Ca 0.68 1.16 -0.04 0.00 -1.41 0.00 0.00 57.07 57.45 2dll s TYR 107 Cb -0.26 0.39 -0.02 0.00 -1.10 0.00 0.00 41.96 40.97 2dll s TYR 107 CO 0.31 -0.51 -0.02 0.15 -2.51 0.00 0.00 175.55 172.97 2dll s LYS 108 N -0.88 3.54 0.14 -3.49 1.02 0.21 -2.74 119.74 117.54 2dll s LYS 108 Ca -0.07 -0.56 -0.11 0.00 0.02 0.00 0.00 55.97 55.26 2dll s LYS 108 Cb -0.01 -3.03 -0.06 0.00 -0.52 0.00 0.00 37.83 34.20 2dll s LYS 108 CO 0.06 -0.04 0.47 0.08 -0.92 0.00 0.00 175.35 175.01 2dll s VAL 109 N 1.10 5.00 -0.01 3.17 1.01 -1.26 -1.70 120.40 127.72 2dll s VAL 109 Ca 0.02 0.52 -0.07 0.00 0.00 0.00 0.00 61.98 62.45 2dll s VAL 109 Cb -0.14 -3.66 0.00 0.00 0.00 0.00 0.00 36.38 32.57 2dll s VAL 109 CO 0.01 0.17 0.13 -0.31 0.00 0.00 0.00 175.10 175.10 2dll s TYR 110 N -1.53 0.02 -0.19 5.22 1.51 -0.97 -2.50 117.35 118.92 2dll s TYR 110 Ca 0.38 -0.08 -0.02 0.00 -1.01 0.00 0.00 57.07 56.34 2dll s TYR 110 Cb -0.13 -0.04 -0.00 0.00 -0.11 0.00 0.00 41.96 41.67 2dll s TYR 110 CO 0.20 -0.25 -0.10 0.50 -1.11 0.00 0.00 175.55 174.79 2dll s ARG 111 N -1.17 3.31 -0.58 -0.62 3.52 -0.85 -2.89 118.95 119.67 2dll s ARG 111 Ca -0.13 -0.68 -0.27 0.00 -0.13 0.00 0.00 55.73 54.52 2dll s ARG 111 Cb -0.07 -2.82 -0.01 0.00 -1.56 0.00 0.00 34.95 30.49 2dll s ARG 111 CO 0.01 -0.08 1.75 0.42 -0.81 0.00 0.00 175.30 176.59 2dll s ILE 112 N 1.11 3.46 -0.09 4.11 1.01 -0.63 0.60 121.20 130.78 2dll s ILE 112 Ca 0.01 0.32 -0.30 0.00 0.00 0.00 0.00 60.65 60.68 2dll s ILE 112 Cb -0.14 -4.04 -0.04 0.00 0.01 0.00 0.00 42.46 38.25 2dll s ILE 112 CO -0.02 -0.94 1.38 -0.69 0.00 0.00 0.00 174.94 174.66 2dll s VAL 113 N 8.14 3.98 0.67 2.92 1.01 0.43 -4.95 120.40 132.60 2dll s VAL 113 Ca 0.65 1.25 -0.11 0.00 0.00 0.00 0.00 61.98 63.77 2dll s VAL 113 Cb -0.13 -3.81 0.17 0.00 0.00 0.00 0.00 36.38 32.61 2dll s VAL 113 CO 0.23 -0.07 0.59 -0.81 0.00 0.00 0.00 175.10 175.04 2dll n PRO 114 N 6.27 -2.18 -0.19 2.72 -0.04 -1.26 -4.69 135.00 135.63 2dll n PRO 114 Ca 0.14 -0.95 -0.08 0.00 -0.04 0.00 0.00 63.50 62.57 2dll n PRO 114 Cb 0.44 -0.89 0.02 0.00 -0.04 0.00 0.00 33.50 33.03 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 0.85 -4.09 0.54 4.11 -1.96 -3.39 114.58 110.64 2dll h GLU 115 Ca -0.22 -0.18 -0.61 0.00 0.07 0.00 0.00 59.36 58.42 2dll h GLU 115 Cb 0.68 -0.13 -0.39 0.00 0.50 0.00 0.00 28.75 29.41 2dll h GLU 115 CO 0.15 0.77 -0.76 0.45 0.07 0.00 0.00 179.01 179.69 2dll s SER 116 N -6.12 4.10 1.10 3.06 0.15 -1.26 -5.12 113.70 109.60 2dll s SER 116 Ca -0.13 -1.58 -0.15 0.00 0.70 0.00 0.00 55.95 54.79 2dll s SER 116 Cb 0.12 -1.14 0.16 0.00 -1.71 0.00 0.00 66.02 63.45 2dll s SER 116 CO 0.79 -0.35 0.47 0.61 1.20 0.00 0.00 173.24 175.97 2dll n GLY 117 N 4.65 -2.11 3.56 9.45 0.00 -1.26 -4.81 105.19 114.67 2dll n GLY 117 Ca -0.04 -0.90 -0.32 0.00 0.00 0.00 0.00 46.02 44.76 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 -3.86 2.58 0.03 1.61 0.04 -1.26 -4.89 135.00 129.25 2dll s PRO 118 Ca 0.61 0.15 -0.27 0.00 0.04 0.00 0.00 61.00 61.53 2dll s PRO 118 Cb -0.18 -4.74 0.08 0.00 0.04 0.00 0.00 34.50 29.70 2dll s PRO 118 CO 0.65 -3.07 0.72 -1.54 0.04 0.00 0.00 177.00 173.80 2dll s SER 119 N 8.10 -0.54 1.06 6.66 1.04 -1.26 -5.17 113.70 123.59 2dll s SER 119 Ca 0.69 0.26 -0.12 0.00 0.48 0.00 0.00 55.95 57.26 2dll s SER 119 Cb -0.10 0.51 0.23 0.00 0.10 0.00 0.00 66.02 66.76 2dll s SER 119 CO 0.10 -0.73 1.07 -0.94 0.98 0.00 0.00 173.24 173.72 2dll s SER 120 N -2.05 1.96 0.00 7.02 1.04 -1.26 -5.19 113.70 115.23 2dll s SER 120 Ca -0.02 1.34 0.03 0.00 0.48 0.00 0.00 55.95 57.79 2dll s SER 120 Cb -0.01 -2.06 0.03 0.00 0.10 0.00 0.00 66.02 64.08 2dll s SER 120 CO -0.04 -3.57 0.61 0.61 0.98 0.00 0.00 173.24 171.83