#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 -0.09 -0.24 1.61 0.15 -1.26 -5.13 113.70 108.74 2dll s SER 2 Ca 0.00 0.22 0.01 0.00 0.70 0.00 0.00 55.95 56.88 2dll s SER 2 Cb 0.00 0.17 0.06 0.00 -1.71 0.00 0.00 66.02 64.55 2dll s SER 2 CO 0.00 -0.08 -0.05 -0.55 1.20 0.00 0.00 173.24 173.76 2dll s SER 3 N 0.55 3.91 -1.49 5.45 0.15 -1.26 -5.04 113.70 115.98 2dll s SER 3 Ca -0.04 -1.23 -0.12 0.00 0.70 0.00 0.00 55.95 55.26 2dll s SER 3 Cb -0.06 -1.20 0.01 0.00 -1.71 0.00 0.00 66.02 63.06 2dll s SER 3 CO -0.02 -0.24 2.43 0.61 1.20 0.00 0.00 173.24 177.22 2dll n GLY 4 N 4.65 4.43 2.97 9.45 0.00 -1.26 -4.85 105.19 120.57 2dll n GLY 4 Ca -0.11 -1.62 -0.31 0.00 0.00 0.00 0.00 46.02 43.98 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 2.60 3.95 0.57 1.61 0.15 -1.26 -5.12 113.70 116.21 2dll s SER 5 Ca 0.54 -1.21 -0.18 0.00 0.70 0.00 0.00 55.95 55.80 2dll s SER 5 Cb 0.15 -1.25 -0.04 0.00 -1.71 0.00 0.00 66.02 63.16 2dll s SER 5 CO -0.07 -0.22 1.11 -0.94 1.20 0.00 0.00 173.24 174.32 2dll s SER 6 N 1.34 5.62 0.00 5.45 1.04 -1.26 -4.72 113.70 121.16 2dll s SER 6 Ca -0.06 2.09 0.00 0.00 0.48 0.00 0.00 55.95 58.46 2dll s SER 6 Cb -0.19 -2.57 0.00 0.00 0.10 0.00 0.00 66.02 63.36 2dll s SER 6 CO -0.06 -1.29 0.00 0.61 0.98 0.00 0.00 173.24 173.48 2dll n GLY 7 N -0.12 -0.08 0.08 7.32 0.00 -1.26 -5.03 105.19 106.11 2dll n GLY 7 Ca 0.11 -0.57 -0.09 0.00 0.00 0.00 0.00 46.02 45.47 2dll n GLY 7 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 2dll n LYS 8 N -0.07 0.64 -0.25 1.61 5.02 -1.26 -4.20 118.16 119.65 2dll n LYS 8 Ca 0.00 0.30 0.23 0.00 -2.02 0.00 0.00 58.31 56.82 2dll n LYS 8 Cb 0.00 -1.79 0.42 0.00 -0.02 0.00 0.00 35.03 33.64 2dll n LYS 8 CO 0.00 0.00 0.00 -0.11 -0.52 0.00 0.00 177.40 176.77 2dll n LEU 9 N -3.07 0.22 -0.05 -0.35 7.94 -1.26 -0.51 117.00 119.92 2dll n LEU 9 Ca -0.17 1.09 -0.03 0.00 -1.11 0.00 0.00 56.01 55.79 2dll n LEU 9 Cb 1.05 -0.53 -0.02 0.00 0.53 0.00 0.00 43.42 44.44 2dll n LEU 9 CO 0.45 -1.21 0.50 -0.09 -1.11 0.00 0.00 177.39 175.92 2dll h ARG 10 N 0.00 -0.07 -0.00 1.96 2.43 -1.99 0.21 114.38 116.92 2dll h ARG 10 Ca 0.59 0.00 -0.00 0.00 -0.81 0.00 0.00 59.98 59.76 2dll h ARG 10 Cb 1.64 0.02 -0.00 0.00 -0.42 0.00 0.00 29.97 31.21 2dll h ARG 10 CO -0.48 -0.04 -0.00 0.37 -1.51 0.00 0.00 179.97 178.31 2dll h GLN 11 N -0.07 0.00 -0.55 0.20 5.75 -1.11 -2.65 115.11 116.69 2dll h GLN 11 Ca 0.02 -0.00 0.05 0.00 -0.15 0.00 0.00 58.65 58.57 2dll h GLN 11 Cb 0.13 0.00 -0.07 0.00 1.07 0.00 0.00 27.48 28.61 2dll h GLN 11 CO -0.16 0.53 -0.37 2.35 -2.65 0.00 0.00 178.83 178.53 2dll h TRP 12 N -0.52 -1.17 0.40 3.99 7.01 -1.15 0.21 115.95 124.72 2dll h TRP 12 Ca 0.00 0.08 -0.01 0.00 2.11 0.00 0.00 58.89 61.07 2dll h TRP 12 Cb 0.53 0.58 -0.02 0.00 -2.10 0.00 0.00 29.16 28.15 2dll h TRP 12 CO 0.11 -0.25 -0.37 1.25 -2.79 0.00 0.00 178.44 176.39 2dll h LEU 13 N -0.05 -1.00 -1.00 0.65 5.85 -0.69 -2.11 115.31 116.96 2dll h LEU 13 Ca 0.09 0.08 0.36 0.00 0.84 0.00 0.00 57.88 59.25 2dll h LEU 13 Cb 0.28 0.33 -0.16 0.00 0.37 0.00 0.00 40.66 41.48 2dll h LEU 13 CO -0.55 -0.52 0.54 0.40 -0.34 0.00 0.00 178.44 177.97 2dll h ILE 14 N -0.78 0.18 -0.30 4.05 2.04 -0.96 1.43 117.51 123.17 2dll h ILE 14 Ca -0.03 -0.07 -0.07 0.00 1.00 0.00 0.00 64.86 65.69 2dll h ILE 14 Cb 0.69 -0.03 -0.02 0.00 -0.74 0.00 0.00 36.82 36.73 2dll h ILE 14 CO -0.05 0.03 -0.11 -0.78 0.00 0.00 0.00 178.15 177.25 2dll h ASP 15 N 0.19 0.47 -0.28 1.72 3.58 0.07 -1.18 116.42 121.00 2dll h ASP 15 Ca 0.77 -0.12 -0.17 0.00 0.42 0.00 0.00 57.03 57.94 2dll h ASP 15 Cb 1.88 -0.13 -0.00 0.00 1.72 0.00 0.00 39.33 42.80 2dll h ASP 15 CO -0.68 0.62 -0.47 1.56 -2.88 0.00 0.00 179.24 177.39 2dll h GLN 16 N 0.46 0.81 -0.25 0.28 1.08 0.22 -2.70 115.11 115.01 2dll h GLN 16 Ca 0.09 -0.50 -0.05 0.00 -1.45 0.00 0.00 58.65 56.73 2dll h GLN 16 Cb 0.47 0.05 -0.01 0.00 -0.05 0.00 0.00 27.48 27.94 2dll h GLN 16 CO 0.03 1.13 -0.05 0.82 -0.95 0.00 0.00 178.83 179.81 2dll h ILE 17 N 0.57 1.28 -0.64 2.54 2.04 -1.01 -2.00 117.51 120.30 2dll h ILE 17 Ca 0.02 -1.04 0.06 0.00 1.00 0.00 0.00 64.86 64.90 2dll h ILE 17 Cb 1.07 1.45 -0.05 0.00 -0.74 0.00 0.00 36.82 38.55 2dll h ILE 17 CO 0.11 0.33 0.35 -0.78 0.00 0.00 0.00 178.15 178.15 2dll h ASP 18 N 0.23 0.51 -0.40 1.72 1.82 -1.25 -1.90 116.42 117.15 2dll h ASP 18 Ca 0.07 0.03 -0.08 0.00 -0.39 0.00 0.00 57.03 56.65 2dll h ASP 18 Cb 0.51 -0.07 -0.02 0.00 0.68 0.00 0.00 39.33 40.43 2dll h ASP 18 CO 0.02 0.33 -0.05 0.77 -1.61 0.00 0.00 179.24 178.70 2dll h SER 19 N 0.64 0.79 -1.86 2.28 4.64 -1.42 -3.47 113.55 115.16 2dll h SER 19 Ca 0.29 -0.22 -0.26 0.00 -0.47 0.00 0.00 61.79 61.13 2dll h SER 19 Cb 0.18 -0.21 -0.01 0.00 -0.31 0.00 0.00 62.40 62.05 2dll h SER 19 CO -0.18 0.89 -0.34 0.61 -0.87 0.00 0.00 176.83 176.94 2dll n GLY 20 N -0.53 -0.16 0.20 -0.77 0.00 -0.72 -4.92 105.19 98.30 2dll n GLY 20 Ca 0.02 -0.33 -0.15 0.00 0.00 0.00 0.00 46.02 45.55 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 0.65 -6.32 1.61 1.57 -1.87 -3.44 116.57 108.77 2dll h LYS 21 Ca -0.31 -0.57 -0.56 0.00 -1.87 0.00 0.00 60.65 57.34 2dll h LYS 21 Cb 1.23 0.13 -0.04 0.00 0.08 0.00 0.00 32.23 33.63 2dll h LYS 21 CO 0.37 1.18 -0.02 0.71 -0.57 0.00 0.00 179.45 181.12 2dll s TYR 22 N -3.61 3.73 0.62 -1.35 1.51 -1.26 -5.06 117.35 111.93 2dll s TYR 22 Ca -0.09 1.24 -0.16 0.00 -1.01 0.00 0.00 57.07 57.05 2dll s TYR 22 Cb 0.09 -2.48 -0.02 0.00 -0.11 0.00 0.00 41.96 39.44 2dll s TYR 22 CO 0.89 0.50 1.12 -1.25 -1.11 0.00 0.00 175.55 175.70 2dll s PRO 23 N -1.48 2.97 0.00 -1.71 0.04 -1.26 -3.49 135.00 130.07 2dll s PRO 23 Ca 0.34 1.46 0.00 0.00 0.04 0.00 0.00 61.00 62.84 2dll s PRO 23 Cb -0.18 -1.97 0.00 0.00 0.04 0.00 0.00 34.50 32.39 2dll s PRO 23 CO 0.20 -1.13 0.00 0.41 0.04 0.00 0.00 177.00 176.52 2dll n GLY 24 N -0.31 1.02 3.56 0.56 0.00 -1.26 -4.70 105.19 104.06 2dll n GLY 24 Ca 0.11 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.73 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 3.32 -0.02 0.99 2.96 -1.23 -4.45 118.68 120.25 2dll s LEU 25 Ca 0.00 0.29 -0.10 0.00 -0.22 0.00 0.00 54.13 54.10 2dll s LEU 25 Cb 0.00 -2.76 0.01 0.00 0.50 0.00 0.00 46.19 43.94 2dll s LEU 25 CO 0.00 -2.06 0.22 0.68 -1.32 0.00 0.00 176.35 173.87 2dll s VAL 26 N 7.57 0.06 -0.29 1.68 -7.23 -1.18 -4.72 120.40 116.30 2dll s VAL 26 Ca 0.59 -0.50 -0.29 0.00 -1.81 0.00 0.00 61.98 59.97 2dll s VAL 26 Cb -0.12 -0.49 0.01 0.00 0.56 0.00 0.00 36.38 36.34 2dll s VAL 26 CO 0.22 -0.27 1.20 0.26 -0.31 0.00 0.00 175.10 176.20 2dll s TRP 27 N -1.12 2.90 0.53 2.82 0.52 -1.26 -1.58 118.94 121.74 2dll s TRP 27 Ca -0.12 1.02 0.20 0.00 0.02 0.00 0.00 56.10 57.22 2dll s TRP 27 Cb -0.06 -3.76 1.34 0.00 -1.15 0.00 0.00 33.47 29.83 2dll s TRP 27 CO 0.02 -1.32 2.11 0.93 0.02 0.00 0.00 176.95 178.72 2dll h GLU 28 N 8.65 0.00 -5.28 4.98 5.08 0.40 -3.43 114.58 124.97 2dll h GLU 28 Ca -0.24 0.00 -0.66 0.00 -1.00 0.00 0.00 59.36 57.47 2dll h GLU 28 Cb 1.08 0.00 -0.13 0.00 0.50 0.00 0.00 28.75 30.20 2dll h GLU 28 CO 1.03 0.00 -0.54 0.54 -1.00 0.00 0.00 179.01 179.04 2dll s ASN 29 N -6.75 3.94 0.04 1.42 2.20 -1.20 -5.06 114.94 109.53 2dll s ASN 29 Ca -0.05 -1.59 0.06 0.00 -0.94 0.00 0.00 52.86 50.34 2dll s ASN 29 Cb 0.18 0.32 -0.23 0.00 -2.00 0.00 0.00 41.25 39.51 2dll s ASN 29 CO 0.68 -0.77 0.98 -0.33 -2.94 0.00 0.00 177.10 174.72 2dll h GLU 30 N 1.49 0.06 0.00 3.55 5.08 -1.94 -3.27 114.58 119.55 2dll h GLU 30 Ca -0.43 -0.10 0.00 0.00 -1.00 0.00 0.00 59.36 57.83 2dll h GLU 30 Cb 1.30 0.04 0.00 0.00 0.50 0.00 0.00 28.75 30.58 2dll h GLU 30 CO 0.74 0.86 0.00 -0.85 -1.00 0.00 0.00 179.01 178.76 2dll n GLU 31 N -3.28 0.12 -3.07 2.33 0.28 -1.26 -4.83 120.64 110.94 2dll n GLU 31 Ca -0.09 0.58 -0.18 0.00 -0.16 0.00 0.00 57.16 57.31 2dll n GLU 31 Cb 1.00 -1.87 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 -2.12 -4.85 -0.10 3.44 4.76 -1.23 -4.92 118.16 113.13 2dll n LYS 32 Ca -0.01 0.67 -0.14 0.00 -2.87 0.00 0.00 58.31 55.97 2dll n LYS 32 Cb 0.06 -5.10 -0.11 0.00 -1.84 0.00 0.00 35.03 28.03 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 -1.71 1.88 -4.30 4.39 7.64 -1.26 -4.94 113.62 115.31 2dll n SER 33 Ca -0.04 -0.09 -0.33 0.00 1.01 0.00 0.00 58.87 59.42 2dll n SER 33 Cb 0.57 -0.02 -0.15 0.00 -1.01 0.00 0.00 64.21 63.60 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 -2.44 2.75 0.35 0.44 1.09 -1.26 -2.80 121.20 119.32 2dll s ILE 34 Ca -0.24 -0.75 0.03 0.00 -1.10 0.00 0.00 60.65 58.59 2dll s ILE 34 Cb 0.07 -2.15 -0.04 0.00 -1.06 0.00 0.00 42.46 39.28 2dll s ILE 34 CO 0.56 0.52 0.12 0.72 -0.10 0.00 0.00 174.94 176.77 2dll s PHE 35 N 0.59 1.75 -0.03 3.97 -0.71 -1.23 0.10 117.98 122.42 2dll s PHE 35 Ca -0.09 -1.24 0.03 0.00 -1.04 0.00 0.00 56.93 54.60 2dll s PHE 35 Cb -0.16 -1.07 -0.00 0.00 -1.21 0.00 0.00 43.02 40.58 2dll s PHE 35 CO 0.03 -0.31 -0.13 -0.98 -1.34 0.00 0.00 175.22 172.49 2dll s ARG 36 N -3.80 1.35 -0.07 1.99 1.70 -0.61 -2.37 118.95 117.13 2dll s ARG 36 Ca 0.31 -0.46 0.03 0.00 -0.47 0.00 0.00 55.73 55.14 2dll s ARG 36 Cb 0.05 -1.21 -0.02 0.00 -0.57 0.00 0.00 34.95 33.19 2dll s ARG 36 CO 0.16 0.19 -0.14 -1.50 -1.08 0.00 0.00 175.30 172.93 2dll s ILE 37 N 0.07 3.04 -0.14 4.99 2.07 -0.54 -3.11 121.20 127.58 2dll s ILE 37 Ca -0.02 -0.71 -0.29 0.00 -1.41 0.00 0.00 60.65 58.21 2dll s ILE 37 Cb -0.10 -2.21 -0.03 0.00 0.13 0.00 0.00 42.46 40.25 2dll s ILE 37 CO 0.01 0.57 1.56 -2.16 -1.91 0.00 0.00 174.94 173.01 2dll s PRO 38 N -0.44 4.04 -0.39 3.50 0.04 -1.26 0.58 135.00 141.06 2dll s PRO 38 Ca 0.05 1.86 -0.04 0.00 0.04 0.00 0.00 61.00 62.92 2dll s PRO 38 Cb -0.12 -3.96 0.09 0.00 0.04 0.00 0.00 34.50 30.55 2dll s PRO 38 CO 0.02 -1.00 0.17 -0.46 0.04 0.00 0.00 177.00 175.77 2dll s TRP 39 N 4.39 3.48 0.13 0.56 -0.11 0.32 -4.89 118.94 122.83 2dll s TRP 39 Ca 0.69 -2.16 0.08 0.00 1.22 0.00 0.00 56.10 55.92 2dll s TRP 39 Cb -0.27 -2.96 -0.04 0.00 -1.50 0.00 0.00 33.47 28.70 2dll s TRP 39 CO 0.26 -0.92 -0.18 0.21 -4.62 0.00 0.00 176.95 171.70 2dll s LYS 40 N 1.21 1.16 0.34 5.86 2.20 -1.26 -4.44 119.74 124.81 2dll s LYS 40 Ca 0.05 -1.28 -0.16 0.00 -0.36 0.00 0.00 55.97 54.21 2dll s LYS 40 Cb -0.22 -1.23 -0.09 0.00 -1.51 0.00 0.00 37.83 34.77 2dll s LYS 40 CO -0.03 0.26 0.78 -3.38 -0.36 0.00 0.00 175.35 172.63 2dll s HIS 41 N -1.78 3.36 -0.11 4.03 -3.43 -1.26 -5.04 115.29 111.06 2dll s HIS 41 Ca 0.11 1.31 -0.26 0.00 -0.80 0.00 0.00 55.06 55.41 2dll s HIS 41 Cb -0.07 -2.60 -0.02 0.00 -1.43 0.00 0.00 32.58 28.46 2dll s HIS 41 CO 0.05 0.05 0.87 0.00 -2.00 0.00 0.00 174.74 173.71 2dll s ALA 42 N -2.02 3.41 0.00 -1.38 0.00 -1.26 -4.76 121.76 115.75 2dll s ALA 42 Ca 0.56 0.20 0.00 0.00 0.00 0.00 0.00 51.96 52.71 2dll s ALA 42 Cb -0.10 -3.24 0.00 0.00 0.00 0.00 0.00 23.12 19.78 2dll s ALA 42 CO 0.17 -0.48 0.00 0.41 0.00 0.00 0.00 175.76 175.85 2dll n GLY 43 N 3.24 0.00 3.14 0.00 0.00 -1.26 -5.16 105.19 105.15 2dll n GLY 43 Ca 0.05 0.00 -0.13 0.00 0.00 0.00 0.00 46.02 45.94 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 0.30 -0.07 1.61 -0.14 -1.26 -5.05 119.74 115.13 2dll s LYS 44 Ca 0.00 0.40 0.02 0.00 -1.36 0.00 0.00 55.97 55.03 2dll s LYS 44 Cb 0.00 0.12 -0.05 0.00 -1.68 0.00 0.00 37.83 36.21 2dll s LYS 44 CO 0.00 -0.05 -0.05 0.94 -0.76 0.00 0.00 175.35 175.43 2dll n GLN 45 N 3.12 0.76 0.05 1.68 0.00 -1.26 -4.61 117.38 117.12 2dll n GLN 45 Ca -0.14 0.03 0.16 0.00 -0.00 0.00 0.00 57.00 57.05 2dll n GLN 45 Cb 0.57 -1.15 0.64 0.00 0.00 0.00 0.00 30.24 30.30 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 0.07 -3.95 1.69 3.32 -2.07 -3.43 116.42 112.06 2dll h ASP 46 Ca -0.17 0.00 -0.45 0.00 0.02 0.00 0.00 57.03 56.43 2dll h ASP 46 Cb 1.28 -0.01 0.15 0.00 0.22 0.00 0.00 39.33 40.97 2dll h ASP 46 CO -0.02 0.05 0.22 -0.72 -1.72 0.00 0.00 179.24 177.04 2dll s TYR 47 N -5.10 2.12 -0.48 4.55 1.13 -1.26 -4.93 117.35 113.38 2dll s TYR 47 Ca -0.06 0.90 -0.28 0.00 -1.41 0.00 0.00 57.07 56.23 2dll s TYR 47 Cb 0.19 -3.32 0.00 0.00 -1.10 0.00 0.00 41.96 37.73 2dll s TYR 47 CO 0.72 -2.83 1.53 1.21 -2.51 0.00 0.00 175.55 173.66 2dll s ASN 48 N -3.65 6.06 -0.05 -0.18 3.84 -1.26 -4.89 114.94 114.80 2dll s ASN 48 Ca 0.65 0.63 -0.08 0.00 0.21 0.00 0.00 52.86 54.28 2dll s ASN 48 Cb -0.17 -2.54 -0.04 0.00 -0.55 0.00 0.00 41.25 37.95 2dll s ASN 48 CO 0.56 -1.70 0.36 0.03 -2.79 0.00 0.00 177.10 173.56 2dll h ARG 49 N 11.69 -0.27 -1.09 0.43 2.47 -1.92 -2.90 114.38 122.78 2dll h ARG 49 Ca -0.28 0.02 0.30 0.00 -1.26 0.00 0.00 59.98 58.76 2dll h ARG 49 Cb 1.12 0.06 -0.10 0.00 -1.65 0.00 0.00 29.97 29.40 2dll h ARG 49 CO 1.13 -0.18 0.70 1.05 0.56 0.00 0.00 179.97 183.23 2dll h GLU 50 N -0.93 0.32 0.57 0.04 4.11 -1.91 0.83 114.58 117.60 2dll h GLU 50 Ca -0.03 -0.02 -0.03 0.00 0.07 0.00 0.00 59.36 59.35 2dll h GLU 50 Cb 0.22 -0.07 0.01 0.00 0.50 0.00 0.00 28.75 29.40 2dll h GLU 50 CO 0.05 0.21 -0.27 1.49 0.07 0.00 0.00 179.01 180.55 2dll h GLU 51 N 0.33 -0.73 -0.67 1.06 4.81 -1.97 1.90 114.58 119.31 2dll h GLU 51 Ca 0.65 0.05 0.06 0.00 -0.13 0.00 0.00 59.36 59.99 2dll h GLU 51 Cb 1.73 0.17 -0.04 0.00 0.63 0.00 0.00 28.75 31.24 2dll h GLU 51 CO -0.34 -0.43 0.44 0.22 -0.73 0.00 0.00 179.01 178.18 2dll h ASP 52 N -0.98 0.59 -0.46 1.04 1.82 -0.94 -0.73 116.42 116.76 2dll h ASP 52 Ca -0.08 0.00 0.00 0.00 -0.39 0.00 0.00 57.03 56.56 2dll h ASP 52 Cb 0.65 -0.12 0.00 0.00 0.68 0.00 0.00 39.33 40.53 2dll h ASP 52 CO 0.13 0.38 0.00 0.00 -1.61 0.00 0.00 179.24 178.14 2dll n ALA 53 N -2.46 3.23 0.11 -0.78 0.00 0.14 -4.49 120.51 116.25 2dll n ALA 53 Ca 0.10 -1.93 0.01 0.00 0.00 0.00 0.00 53.44 51.62 2dll n ALA 53 Cb 0.23 -0.88 0.32 0.00 0.00 0.00 0.00 19.45 19.12 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 3.03 1.33 0.00 0.00 0.00 0.46 -2.46 119.26 121.62 2dll h ALA 54 Ca 0.00 -0.30 -0.05 0.00 0.00 0.00 0.00 54.91 54.55 2dll h ALA 54 Cb 1.56 -0.09 -0.01 0.00 0.00 0.00 0.00 17.79 19.25 2dll h ALA 54 CO 0.29 0.46 -0.43 1.25 0.00 0.00 0.00 179.25 180.83 2dll h LEU 55 N 0.20 0.00 -0.76 0.00 5.85 -1.79 -3.29 115.31 115.53 2dll h LEU 55 Ca 0.03 -0.36 0.16 0.00 0.84 0.00 0.00 57.88 58.55 2dll h LEU 55 Cb 0.58 0.00 -0.14 0.00 0.37 0.00 0.00 40.66 41.47 2dll h LEU 55 CO 0.04 0.92 -0.12 -0.26 -0.34 0.00 0.00 178.44 178.69 2dll h PHE 56 N -1.00 -0.27 -0.25 1.25 0.04 -1.84 0.42 116.94 115.30 2dll h PHE 56 Ca -0.08 0.06 0.05 0.00 2.80 0.00 0.00 57.97 60.80 2dll h PHE 56 Cb 0.68 0.24 -0.05 0.00 2.20 0.00 0.00 35.95 39.01 2dll h PHE 56 CO 0.04 -0.30 -0.09 1.57 -0.60 0.00 0.00 178.31 178.92 2dll h LYS 57 N 0.03 -0.05 -1.06 1.51 2.10 -1.61 -1.02 116.57 116.48 2dll h LYS 57 Ca 0.38 0.00 0.28 0.00 -2.00 0.00 0.00 60.65 59.31 2dll h LYS 57 Cb 0.63 0.01 -0.10 0.00 -0.90 0.00 0.00 32.23 31.87 2dll h LYS 57 CO -0.74 -0.03 0.67 0.00 -2.00 0.00 0.00 179.45 177.35 2dll h ALA 58 N 1.18 2.23 -0.25 0.07 0.00 -0.98 0.16 119.26 121.66 2dll h ALA 58 Ca 0.13 0.07 -0.04 0.00 0.00 0.00 0.00 54.91 55.07 2dll h ALA 58 Cb 0.24 0.04 -0.01 0.00 0.00 0.00 0.00 17.79 18.06 2dll h ALA 58 CO -0.28 -0.66 0.01 2.35 0.00 0.00 0.00 179.25 180.67 2dll h TRP 59 N 0.38 0.46 0.16 0.00 2.91 -0.83 0.18 115.95 119.22 2dll h TRP 59 Ca 0.62 -0.08 -0.01 0.00 1.13 0.00 0.00 58.89 60.55 2dll h TRP 59 Cb 1.56 -0.12 0.00 0.00 -0.51 0.00 0.00 29.16 30.09 2dll h TRP 59 CO -0.00 0.59 -0.08 0.00 -1.03 0.00 0.00 178.44 177.91 2dll h ALA 60 N 0.82 -0.21 -0.19 2.65 0.00 -0.51 0.10 119.26 121.92 2dll h ALA 60 Ca 0.07 -0.16 -0.00 0.00 0.00 0.00 0.00 54.91 54.82 2dll h ALA 60 Cb 0.39 0.08 -0.01 0.00 0.00 0.00 0.00 17.79 18.26 2dll h ALA 60 CO 0.01 -0.48 0.11 -0.07 0.00 0.00 0.00 179.25 178.82 2dll h LEU 61 N -0.49 0.23 0.83 0.00 3.38 -0.96 0.98 115.31 119.28 2dll h LEU 61 Ca -0.02 -0.05 -0.04 0.00 0.09 0.00 0.00 57.88 57.86 2dll h LEU 61 Cb 0.38 -0.06 0.01 0.00 0.09 0.00 0.00 40.66 41.08 2dll h LEU 61 CO 0.04 0.21 -0.40 0.15 0.09 0.00 0.00 178.44 178.53 2dll h PHE 62 N 0.23 -1.03 0.49 1.13 3.57 -0.66 -3.34 116.94 117.33 2dll h PHE 62 Ca 0.07 -0.02 -0.02 0.00 3.53 0.00 0.00 57.97 61.52 2dll h PHE 62 Cb 0.03 0.34 0.00 0.00 2.79 0.00 0.00 35.95 39.11 2dll h PHE 62 CO -0.05 -0.63 -0.24 0.87 -2.23 0.00 0.00 178.31 176.03 2dll h LYS 63 N -1.17 -0.63 0.00 1.11 1.79 -0.78 -3.46 116.57 113.42 2dll h LYS 63 Ca -0.11 0.04 0.00 0.00 -2.18 0.00 0.00 60.65 58.40 2dll h LYS 63 Cb 0.86 0.14 0.00 0.00 -1.58 0.00 0.00 32.23 31.65 2dll h LYS 63 CO 0.19 -0.42 0.00 0.41 -1.08 0.00 0.00 179.45 178.54 2dll n GLY 64 N -0.59 0.31 2.57 3.86 0.00 0.34 -5.06 105.19 106.61 2dll n GLY 64 Ca -0.08 -1.61 -0.28 0.00 0.00 0.00 0.00 46.02 44.05 2dll n GLY 64 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 2dll s LYS 65 N 0.45 0.17 -0.02 1.61 2.36 -1.25 -4.62 119.74 118.44 2dll s LYS 65 Ca 0.00 -0.41 0.05 0.00 -2.55 0.00 0.00 55.97 53.05 2dll s LYS 65 Cb 0.00 -1.28 -0.01 0.00 -1.05 0.00 0.00 37.83 35.49 2dll s LYS 65 CO 0.00 -0.94 -0.16 0.12 1.55 0.00 0.00 175.35 175.92 2dll s PHE 66 N 2.12 1.51 -0.19 4.03 5.36 -1.26 -5.05 117.98 124.50 2dll s PHE 66 Ca 0.08 -0.34 -0.09 0.00 -0.96 0.00 0.00 56.93 55.62 2dll s PHE 66 Cb -0.16 -0.99 -0.05 0.00 -0.34 0.00 0.00 43.02 41.48 2dll s PHE 66 CO -0.31 -0.07 0.10 -0.98 -1.46 0.00 0.00 175.22 172.50 2dll s ARG 67 N -0.23 4.07 0.45 10.12 3.03 -1.26 -4.95 118.95 130.18 2dll s ARG 67 Ca 0.03 -0.29 -0.23 0.00 2.03 0.00 0.00 55.73 57.27 2dll s ARG 67 Cb -0.08 -3.32 -0.08 0.00 -1.03 0.00 0.00 34.95 30.44 2dll s ARG 67 CO 0.00 0.26 1.12 -2.00 -1.13 0.00 0.00 175.30 173.56 2dll s GLU 68 N 0.44 3.83 0.00 3.89 -6.30 -1.26 -2.68 118.70 116.62 2dll s GLU 68 Ca 0.05 1.66 0.00 0.00 -2.50 0.00 0.00 54.97 54.18 2dll s GLU 68 Cb -0.12 -2.38 0.00 0.00 0.00 0.00 0.00 34.13 31.63 2dll s GLU 68 CO -0.00 -0.46 0.00 0.41 0.02 0.00 0.00 175.26 175.22 2dll n GLY 69 N 0.34 1.43 0.48 -1.50 0.00 -1.26 -4.55 105.19 100.12 2dll n GLY 69 Ca 0.07 -0.02 -0.17 0.00 0.00 0.00 0.00 46.02 45.90 2dll n GLY 69 CO 0.00 0.00 0.00 -2.22 0.00 0.00 0.00 173.32 171.10 2dll h ILE 70 N 0.00 0.00 -2.88 -0.61 2.04 -2.02 -3.41 117.51 110.62 2dll h ILE 70 Ca 0.00 0.00 -0.63 0.00 1.00 0.00 0.00 64.86 65.23 2dll h ILE 70 Cb 0.00 0.00 -0.06 0.00 -0.74 0.00 0.00 36.82 36.02 2dll h ILE 70 CO 0.00 0.00 -0.31 -1.81 0.00 0.00 0.00 178.15 176.03 2dll s ASP 71 N -4.43 6.64 -0.17 1.72 1.01 -1.09 -5.05 116.67 115.31 2dll s ASP 71 Ca -0.17 0.77 -0.29 0.00 0.71 0.00 0.00 52.55 53.57 2dll s ASP 71 Cb 0.05 -2.18 -0.02 0.00 1.01 0.00 0.00 42.92 41.78 2dll s ASP 71 CO 0.59 0.35 1.30 -0.75 0.21 0.00 0.00 175.17 176.87 2dll s LYS 72 N -1.01 4.20 0.79 8.23 2.47 -1.26 -4.76 119.74 128.39 2dll s LYS 72 Ca 0.20 1.67 -0.11 0.00 -1.56 0.00 0.00 55.97 56.18 2dll s LYS 72 Cb -0.15 -3.80 0.07 0.00 -1.46 0.00 0.00 37.83 32.49 2dll s LYS 72 CO 0.10 -0.76 1.09 -1.25 0.16 0.00 0.00 175.35 174.69 2dll s PRO 73 N 3.62 2.12 -0.28 4.03 0.04 -1.26 -5.06 135.00 138.20 2dll s PRO 73 Ca 0.57 1.12 0.01 0.00 0.04 0.00 0.00 61.00 62.74 2dll s PRO 73 Cb -0.22 -1.88 0.15 0.00 0.04 0.00 0.00 34.50 32.59 2dll s PRO 73 CO 0.17 -1.73 0.39 0.34 0.04 0.00 0.00 177.00 176.21 2dll s ASP 74 N -3.40 0.48 0.28 6.66 2.15 -1.26 -5.03 116.67 116.55 2dll s ASP 74 Ca 0.61 -0.30 0.02 0.00 0.43 0.00 0.00 52.55 53.32 2dll s ASP 74 Cb -0.17 1.05 0.69 0.00 -0.30 0.00 0.00 42.92 44.19 2dll s ASP 74 CO 0.56 -0.35 1.69 -0.65 -0.17 0.00 0.00 175.17 176.25 2dll h PRO 75 N 8.17 0.35 -0.64 4.34 0.11 -1.98 -1.58 132.00 140.78 2dll h PRO 75 Ca -0.11 -0.02 0.13 0.00 0.11 0.00 0.00 66.00 66.11 2dll h PRO 75 Cb 1.12 -0.08 -0.12 0.00 0.11 0.00 0.00 31.00 32.04 2dll h PRO 75 CO 0.27 0.23 -0.07 -1.35 -0.21 0.00 0.00 178.00 176.88 2dll h PRO 76 N 0.36 0.06 -0.19 1.05 0.11 -1.99 0.62 132.00 132.02 2dll h PRO 76 Ca 0.54 -0.00 -0.01 0.00 0.11 0.00 0.00 66.00 66.64 2dll h PRO 76 Cb 1.01 -0.01 -0.01 0.00 0.11 0.00 0.00 31.00 32.10 2dll h PRO 76 CO -0.54 0.04 0.09 1.15 -0.21 0.00 0.00 178.00 178.52 2dll h THR 77 N 0.06 1.14 -0.74 -1.15 2.02 -1.72 -0.61 112.91 111.90 2dll h THR 77 Ca 0.33 -0.41 0.06 0.00 0.77 0.00 0.00 66.41 67.16 2dll h THR 77 Cb 0.53 1.07 -0.06 0.00 -1.74 0.00 0.00 68.15 67.95 2dll h THR 77 CO -0.60 0.13 0.43 -0.50 0.37 0.00 0.00 175.52 175.35 2dll h TRP 78 N 0.16 0.80 0.12 3.16 6.55 -1.14 -0.46 115.95 125.14 2dll h TRP 78 Ca 0.06 0.03 -0.01 0.00 0.95 0.00 0.00 58.89 59.92 2dll h TRP 78 Cb 0.13 -0.25 0.00 0.00 -0.86 0.00 0.00 29.16 28.18 2dll h TRP 78 CO -0.02 0.40 -0.06 -0.22 -1.05 0.00 0.00 178.44 177.49 2dll h LYS 79 N 0.80 -0.15 -0.70 0.49 3.64 -0.71 -2.82 116.57 117.12 2dll h LYS 79 Ca 0.33 0.01 0.07 0.00 -1.27 0.00 0.00 60.65 59.78 2dll h LYS 79 Cb 0.17 0.03 -0.10 0.00 -0.41 0.00 0.00 32.23 31.92 2dll h LYS 79 CO -0.17 -0.10 -0.57 1.15 -2.27 0.00 0.00 179.45 177.49 2dll h THR 80 N -0.22 0.00 -0.87 1.00 2.02 -1.12 0.26 112.91 113.98 2dll h THR 80 Ca -0.02 0.00 0.16 0.00 0.77 0.00 0.00 66.41 67.32 2dll h THR 80 Cb 0.12 0.00 -0.16 0.00 -1.74 0.00 0.00 68.15 66.37 2dll h THR 80 CO 0.03 0.00 -0.31 0.03 0.37 0.00 0.00 175.52 175.64 2dll h ARG 81 N -0.20 -0.03 0.65 6.66 -0.00 -1.20 -1.28 114.38 118.98 2dll h ARG 81 Ca 0.11 0.00 -0.03 0.00 -0.50 0.00 0.00 59.98 59.57 2dll h ARG 81 Cb 0.50 0.01 0.01 0.00 0.00 0.00 0.00 29.97 30.48 2dll h ARG 81 CO -0.76 -0.02 -0.31 1.25 0.00 0.00 0.00 179.97 180.13 2dll h LEU 82 N -0.03 -0.73 -0.82 3.04 5.85 -0.72 -2.69 115.31 119.19 2dll h LEU 82 Ca 0.36 0.03 0.32 0.00 0.84 0.00 0.00 57.88 59.43 2dll h LEU 82 Cb 0.61 0.19 -0.12 0.00 0.37 0.00 0.00 40.66 41.71 2dll h LEU 82 CO -0.90 -0.44 0.48 0.54 -0.34 0.00 0.00 178.44 177.77 2dll n ARG 83 N -4.78 -0.04 0.21 1.25 1.74 0.71 0.54 116.66 116.30 2dll n ARG 83 Ca -0.11 0.99 -0.11 0.00 -0.77 0.00 0.00 57.85 57.85 2dll n ARG 83 Cb 0.34 -1.83 -0.06 0.00 -1.02 0.00 0.00 32.46 29.90 2dll n ARG 83 CO 0.00 0.00 0.00 0.00 -1.52 0.00 0.00 177.63 176.11 2dll h ALA 85 N -0.96 0.46 -0.94 0.00 0.00 0.43 0.25 119.26 118.50 2dll h ALA 85 Ca -0.06 0.21 0.15 0.00 0.00 0.00 0.00 54.91 55.21 2dll h ALA 85 Cb 0.53 0.40 -0.10 0.00 0.00 0.00 0.00 17.79 18.62 2dll h ALA 85 CO 0.10 -0.42 0.55 1.25 0.00 0.00 0.00 179.25 180.73 2dll h LEU 86 N 0.04 0.72 0.08 0.00 5.85 -1.14 0.15 115.31 121.01 2dll h LEU 86 Ca 0.29 0.08 -0.00 0.00 0.84 0.00 0.00 57.88 59.09 2dll h LEU 86 Cb 0.46 -0.05 0.00 0.00 0.37 0.00 0.00 40.66 41.44 2dll h LEU 86 CO -0.57 0.31 -0.04 -1.13 -0.34 0.00 0.00 178.44 176.67 2dll h ASN 87 N 0.77 -0.10 -0.41 1.25 -1.24 -0.67 -3.31 115.58 111.87 2dll h ASN 87 Ca 0.51 -0.49 0.08 0.00 0.71 0.00 0.00 56.30 57.11 2dll h ASN 87 Cb 0.69 0.02 -0.08 0.00 0.73 0.00 0.00 38.32 39.68 2dll h ASN 87 CO -0.34 0.51 -0.11 0.11 -1.29 0.00 0.00 177.43 176.31 2dll h LYS 88 N -0.76 -0.01 -5.55 6.67 1.79 -0.15 -3.38 116.57 115.18 2dll h LYS 88 Ca -0.01 0.00 -0.51 0.00 -2.18 0.00 0.00 60.65 57.95 2dll h LYS 88 Cb 0.58 0.00 -0.02 0.00 -1.58 0.00 0.00 32.23 31.22 2dll h LYS 88 CO 0.02 -0.00 1.63 0.43 -1.08 0.00 0.00 179.45 180.44 2dll n SER 89 N -5.32 1.87 -0.10 0.86 7.64 0.50 -4.80 113.62 114.27 2dll n SER 89 Ca 0.03 -0.16 -0.12 0.00 1.01 0.00 0.00 58.87 59.62 2dll n SER 89 Cb 0.23 -1.38 -0.04 0.00 -1.01 0.00 0.00 64.21 62.01 2dll n SER 89 CO 0.00 0.00 0.00 -1.13 -3.01 0.00 0.00 175.04 170.90 2dll h ASN 90 N 16.43 0.69 -0.62 6.43 -1.24 -1.87 -2.92 115.58 132.47 2dll h ASN 90 Ca -0.21 -0.43 0.18 0.00 0.71 0.00 0.00 56.30 56.54 2dll h ASN 90 Cb 1.29 -0.19 -0.02 0.00 0.73 0.00 0.00 38.32 40.12 2dll h ASN 90 CO 1.18 0.98 0.97 0.44 -1.29 0.00 0.00 177.43 179.71 2dll h ASP 91 N 0.41 0.00 -2.96 1.15 3.32 -1.88 -3.37 116.42 113.09 2dll h ASP 91 Ca 0.06 0.00 -0.64 0.00 0.02 0.00 0.00 57.03 56.47 2dll h ASP 91 Cb 0.74 0.00 -0.10 0.00 0.22 0.00 0.00 39.33 40.19 2dll h ASP 91 CO 0.05 0.00 -0.50 -0.36 -1.72 0.00 0.00 179.24 176.72 2dll s PHE 92 N -4.34 3.48 0.00 4.55 0.40 -1.10 -0.58 117.98 120.40 2dll s PHE 92 Ca -0.02 0.41 0.02 0.00 -0.60 0.00 0.00 56.93 56.74 2dll s PHE 92 Cb 0.11 -2.03 -0.03 0.00 0.51 0.00 0.00 43.02 41.58 2dll s PHE 92 CO 0.36 0.51 -0.03 -2.00 0.70 0.00 0.00 175.22 174.76 2dll s GLU 93 N -0.40 2.66 -0.31 0.44 2.12 0.62 -4.90 118.70 118.93 2dll s GLU 93 Ca 0.11 -0.68 -0.12 0.00 0.36 0.00 0.00 54.97 54.65 2dll s GLU 93 Cb -0.12 -2.58 -0.03 0.00 0.26 0.00 0.00 34.13 31.66 2dll s GLU 93 CO 0.01 0.61 0.21 -2.00 -0.54 0.00 0.00 175.26 173.55 2dll s GLU 94 N -1.52 3.71 -0.50 4.30 2.12 -1.26 -0.09 118.70 125.46 2dll s GLU 94 Ca 0.18 -0.49 -0.14 0.00 0.36 0.00 0.00 54.97 54.89 2dll s GLU 94 Cb -0.11 -3.71 0.11 0.00 0.26 0.00 0.00 34.13 30.67 2dll s GLU 94 CO 0.09 -0.31 0.42 -0.51 -0.54 0.00 0.00 175.26 174.41 2dll s LEU 95 N 1.73 5.85 -0.04 2.70 1.43 0.19 -4.89 118.68 125.64 2dll s LEU 95 Ca 0.06 -1.64 0.04 0.00 -1.03 0.00 0.00 54.13 51.56 2dll s LEU 95 Cb -0.17 -2.15 -0.25 0.00 0.03 0.00 0.00 46.19 43.65 2dll s LEU 95 CO 0.10 -0.74 0.67 0.58 0.23 0.00 0.00 176.35 177.20 2dll h VAL 96 N 5.90 0.92 -1.00 -1.59 2.07 -1.95 -3.09 116.25 117.51 2dll h VAL 96 Ca -0.28 -2.68 0.22 0.00 0.82 0.00 0.00 66.70 64.79 2dll h VAL 96 Cb 1.10 2.55 -0.11 0.00 -1.52 0.00 0.00 31.29 33.31 2dll h VAL 96 CO 0.94 0.70 0.61 -0.33 0.02 0.00 0.00 177.57 179.51 2dll h GLU 97 N 0.03 0.61 0.00 1.57 5.08 -1.94 0.33 114.58 120.26 2dll h GLU 97 Ca -0.29 -0.04 0.00 0.00 -1.00 0.00 0.00 59.36 58.03 2dll h GLU 97 Cb 2.00 -0.14 0.00 0.00 0.50 0.00 0.00 28.75 31.12 2dll h GLU 97 CO 0.10 0.40 -0.84 0.54 -1.00 0.00 0.00 179.01 178.21 2dll n ARG 98 N -4.77 0.30 -1.76 2.33 1.74 -1.26 -4.92 116.66 108.32 2dll n ARG 98 Ca 0.25 0.04 -0.41 0.00 -0.77 0.00 0.00 57.85 56.95 2dll n ARG 98 Cb 0.69 -1.64 -0.01 0.00 -1.02 0.00 0.00 32.46 30.47 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 -4.11 6.33 -0.29 0.55 1.04 0.12 -4.78 113.70 112.55 2dll s SER 99 Ca 0.05 3.02 0.01 0.00 0.48 0.00 0.00 55.95 59.51 2dll s SER 99 Cb 0.14 -2.65 0.09 0.00 0.10 0.00 0.00 66.02 63.69 2dll s SER 99 CO 0.76 -0.92 0.03 -1.10 0.98 0.00 0.00 173.24 172.99 2dll s GLN 100 N -1.16 1.28 -0.01 4.02 -1.52 -0.80 -4.93 119.66 116.54 2dll s GLN 100 Ca 0.59 -1.29 0.11 0.00 -1.95 0.00 0.00 55.36 52.83 2dll s GLN 100 Cb -0.48 -2.59 -0.15 0.00 -0.22 0.00 0.00 33.01 29.57 2dll s GLN 100 CO 0.55 -0.83 0.39 1.28 -0.25 0.00 0.00 175.29 176.42 2dll n LEU 101 N 4.60 0.31 -1.06 2.90 4.77 -1.26 -0.99 117.00 126.26 2dll n LEU 101 Ca -0.04 -0.29 0.04 0.00 -0.03 0.00 0.00 56.01 55.69 2dll n LEU 101 Cb 0.43 0.00 0.19 0.00 -2.33 0.00 0.00 43.42 41.71 2dll n LEU 101 CO 0.17 0.08 0.57 0.47 -1.33 0.00 0.00 177.39 177.35 2dll n ASP 102 N -1.54 3.00 -4.63 -1.43 8.00 -1.26 -4.56 116.55 114.13 2dll n ASP 102 Ca 0.00 -2.35 -0.25 0.00 0.71 0.00 0.00 54.79 52.90 2dll n ASP 102 Cb 0.23 -0.51 -0.08 0.00 -0.02 0.00 0.00 41.12 40.74 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 -1.78 3.45 0.27 0.53 -4.36 -1.26 -5.00 121.20 113.05 2dll s ILE 103 Ca 0.26 -1.74 0.09 0.00 -0.26 0.00 0.00 60.65 59.00 2dll s ILE 103 Cb 0.18 -2.79 0.31 0.00 1.25 0.00 0.00 42.46 41.41 2dll s ILE 103 CO 0.10 -0.25 1.25 -0.24 0.24 0.00 0.00 174.94 176.04 2dll n SER 104 N -0.50 0.10 -4.00 4.36 2.88 -1.26 -3.12 113.62 112.07 2dll n SER 104 Ca -0.08 1.34 -0.31 0.00 -1.33 0.00 0.00 58.87 58.49 2dll n SER 104 Cb 0.57 -0.57 -0.15 0.00 -0.75 0.00 0.00 64.21 63.31 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 -4.81 4.62 0.33 -3.46 1.01 -1.26 -5.11 116.67 108.00 2dll s ASP 105 Ca -0.09 -1.96 -0.28 0.00 0.71 0.00 0.00 52.55 50.93 2dll s ASP 105 Cb 0.25 -1.54 -0.10 0.00 1.01 0.00 0.00 42.92 42.55 2dll s ASP 105 CO 0.62 -0.35 1.22 -2.16 0.21 0.00 0.00 175.17 174.72 2dll s PRO 106 N 1.01 4.38 -0.07 8.23 0.04 -1.18 -4.84 135.00 142.57 2dll s PRO 106 Ca 0.07 2.03 -0.27 0.00 0.04 0.00 0.00 61.00 62.87 2dll s PRO 106 Cb -0.19 -3.03 0.06 0.00 0.04 0.00 0.00 34.50 31.38 2dll s PRO 106 CO -0.09 -0.10 0.61 1.52 0.04 0.00 0.00 177.00 178.99 2dll s TYR 107 N -1.19 -0.59 -0.18 0.56 -0.85 -0.16 -0.52 117.35 114.41 2dll s TYR 107 Ca 0.49 1.06 -0.05 0.00 -0.52 0.00 0.00 57.07 58.05 2dll s TYR 107 Cb -0.36 0.34 -0.03 0.00 0.38 0.00 0.00 41.96 42.29 2dll s TYR 107 CO 0.47 -0.54 -0.00 0.15 -1.52 0.00 0.00 175.55 174.11 2dll s LYS 108 N -1.03 3.69 0.19 -3.49 1.02 0.20 -1.91 119.74 118.41 2dll s LYS 108 Ca -0.10 -0.49 -0.16 0.00 0.02 0.00 0.00 55.97 55.24 2dll s LYS 108 Cb -0.01 -3.05 -0.08 0.00 -0.52 0.00 0.00 37.83 34.17 2dll s LYS 108 CO 0.08 0.12 0.62 0.08 -0.92 0.00 0.00 175.35 175.33 2dll s VAL 109 N 0.71 4.76 0.21 3.17 1.01 -1.17 -1.47 120.40 127.62 2dll s VAL 109 Ca -0.00 0.95 0.01 0.00 0.00 0.00 0.00 61.98 62.94 2dll s VAL 109 Cb -0.14 -3.75 -0.05 0.00 0.00 0.00 0.00 36.38 32.44 2dll s VAL 109 CO 0.02 0.17 0.08 -0.31 0.00 0.00 0.00 175.10 175.06 2dll s TYR 110 N -1.56 1.30 -0.05 5.22 1.51 -1.00 0.53 117.35 123.31 2dll s TYR 110 Ca 0.42 -1.20 -0.00 0.00 -1.01 0.00 0.00 57.07 55.28 2dll s TYR 110 Cb -0.15 -0.73 0.03 0.00 -0.11 0.00 0.00 41.96 41.00 2dll s TYR 110 CO 0.20 -0.40 -0.01 0.50 -1.11 0.00 0.00 175.55 174.72 2dll s ARG 111 N -4.04 0.58 -0.63 -0.62 3.52 0.87 -3.51 118.95 115.13 2dll s ARG 111 Ca 0.33 0.03 -0.27 0.00 -0.13 0.00 0.00 55.73 55.69 2dll s ARG 111 Cb 0.07 -0.77 0.01 0.00 -1.56 0.00 0.00 34.95 32.70 2dll s ARG 111 CO 0.10 -0.18 1.44 0.42 -0.81 0.00 0.00 175.30 176.27 2dll s ILE 112 N 1.34 3.70 -0.02 4.11 1.01 -1.12 -0.27 121.20 129.93 2dll s ILE 112 Ca -0.05 0.52 -0.30 0.00 0.00 0.00 0.00 60.65 60.82 2dll s ILE 112 Cb -0.13 -4.51 -0.04 0.00 0.01 0.00 0.00 42.46 37.79 2dll s ILE 112 CO -0.02 -1.34 1.24 -0.69 0.00 0.00 0.00 174.94 174.12 2dll s VAL 113 N 6.44 4.11 1.26 2.92 1.01 0.26 -4.97 120.40 131.43 2dll s VAL 113 Ca 0.49 1.47 -0.21 0.00 0.00 0.00 0.00 61.98 63.73 2dll s VAL 113 Cb -0.10 -3.94 0.31 0.00 0.00 0.00 0.00 36.38 32.65 2dll s VAL 113 CO 0.21 0.02 1.11 -2.16 0.00 0.00 0.00 175.10 174.28 2dll s PRO 114 N 2.02 -1.67 0.10 2.72 0.04 -1.26 -4.73 135.00 132.21 2dll s PRO 114 Ca 0.58 -0.22 -0.11 0.00 0.04 0.00 0.00 61.00 61.29 2dll s PRO 114 Cb -0.27 -1.56 -0.18 0.00 0.04 0.00 0.00 34.50 32.54 2dll s PRO 114 CO 0.24 -3.98 1.24 1.05 0.04 0.00 0.00 177.00 175.60 2dll h GLU 115 N -2.77 0.63 -2.36 4.56 4.11 -1.96 -3.45 114.58 113.34 2dll h GLU 115 Ca -0.42 -0.65 -0.05 0.00 0.07 0.00 0.00 59.36 58.31 2dll h GLU 115 Cb 1.28 0.18 -0.24 0.00 0.50 0.00 0.00 28.75 30.46 2dll h GLU 115 CO 0.27 1.25 -0.21 0.45 0.07 0.00 0.00 179.01 180.84 2dll s SER 116 N -7.20 -0.65 0.81 3.06 0.15 -1.26 -5.17 113.70 103.44 2dll s SER 116 Ca -0.09 1.17 -0.12 0.00 0.70 0.00 0.00 55.95 57.62 2dll s SER 116 Cb 0.08 1.30 0.08 0.00 -1.71 0.00 0.00 66.02 65.76 2dll s SER 116 CO 0.90 -0.22 1.13 -0.83 1.20 0.00 0.00 173.24 175.43 2dll s GLY 117 N 1.99 1.60 0.40 9.45 0.00 -1.26 -5.02 107.32 114.48 2dll s GLY 117 Ca -0.07 -0.44 -0.26 0.00 0.00 0.00 0.00 44.72 43.95 2dll s GLY 117 CO -0.15 0.02 1.19 2.56 0.00 0.00 0.00 173.10 176.72 2dll s PRO 118 N -5.36 4.06 -0.45 2.90 0.04 -1.26 -4.96 135.00 129.98 2dll s PRO 118 Ca 0.61 1.90 -0.28 0.00 0.04 0.00 0.00 61.00 63.27 2dll s PRO 118 Cb -0.13 -2.71 0.01 0.00 0.04 0.00 0.00 34.50 31.71 2dll s PRO 118 CO 0.52 -0.33 1.42 -1.12 0.04 0.00 0.00 177.00 177.53 2dll s SER 119 N -1.05 6.26 0.05 6.66 0.01 -1.26 -4.90 113.70 119.48 2dll s SER 119 Ca 0.56 0.68 -0.26 0.00 1.31 0.00 0.00 55.95 58.24 2dll s SER 119 Cb -0.32 -2.54 -0.17 0.00 0.21 0.00 0.00 66.02 63.20 2dll s SER 119 CO 0.41 -1.52 1.55 -1.28 0.41 0.00 0.00 173.24 172.80 2dll h SER 120 N 10.89 -0.27 0.00 2.44 0.87 -2.06 -3.58 113.55 121.85 2dll h SER 120 Ca -0.27 -0.09 0.00 0.00 -1.23 0.00 0.00 61.79 60.20 2dll h SER 120 Cb 1.10 0.07 0.00 0.00 -0.44 0.00 0.00 62.40 63.13 2dll h SER 120 CO 1.11 -0.08 0.00 0.61 -0.53 0.00 0.00 176.83 177.94