#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2dll h SER 2 N 0.00 0.37 -4.58 1.61 0.87 -2.06 -3.47 113.55 106.28 2dll h SER 2 Ca 0.00 -0.90 -0.26 0.00 -1.23 0.00 0.00 61.79 59.40 2dll h SER 2 Cb 0.00 -0.12 -0.23 0.00 -0.44 0.00 0.00 62.40 61.61 2dll h SER 2 CO 0.00 1.43 -0.73 -0.94 -0.53 0.00 0.00 176.83 176.06 2dll s SER 3 N -6.90 0.64 0.12 6.23 1.04 -1.26 -5.08 113.70 108.48 2dll s SER 3 Ca -0.17 -0.42 0.00 0.00 0.48 0.00 0.00 55.95 55.84 2dll s SER 3 Cb 0.02 0.03 0.00 0.00 0.10 0.00 0.00 66.02 66.16 2dll s SER 3 CO 0.78 -0.16 0.00 0.61 0.98 0.00 0.00 173.24 175.45 2dll n GLY 4 N 1.87 0.58 3.33 7.32 0.00 -1.26 -4.92 105.19 112.11 2dll n GLY 4 Ca -0.21 -0.88 -0.13 0.00 0.00 0.00 0.00 46.02 44.80 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 -4.00 -0.31 0.03 1.61 0.01 -1.26 -5.09 113.70 104.69 2dll s SER 5 Ca 0.00 0.09 0.02 0.00 1.31 0.00 0.00 55.95 57.37 2dll s SER 5 Cb 0.00 0.42 -0.02 0.00 0.21 0.00 0.00 66.02 66.63 2dll s SER 5 CO 0.00 -0.63 -0.08 -0.44 0.41 0.00 0.00 173.24 172.50 2dll s SER 6 N -1.81 0.91 -0.56 2.44 0.01 -1.26 -5.06 113.70 108.37 2dll s SER 6 Ca -0.07 -0.39 -0.28 0.00 1.31 0.00 0.00 55.95 56.52 2dll s SER 6 Cb -0.01 -0.02 -0.15 0.00 0.21 0.00 0.00 66.02 66.04 2dll s SER 6 CO -0.00 -0.08 1.80 0.61 0.41 0.00 0.00 173.24 175.98 2dll n GLY 7 N 2.01 -0.24 3.08 3.44 0.00 -1.26 -4.87 105.19 107.35 2dll n GLY 7 Ca -0.19 0.85 -0.12 0.00 0.00 0.00 0.00 46.02 46.56 2dll n GLY 7 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2dll s LYS 8 N 5.58 0.21 -0.05 1.61 -0.14 -1.26 -5.05 119.74 120.65 2dll s LYS 8 Ca 0.95 0.74 -0.23 0.00 -1.36 0.00 0.00 55.97 56.08 2dll s LYS 8 Cb -1.03 -0.00 -0.26 0.00 -1.68 0.00 0.00 37.83 34.85 2dll s LYS 8 CO 0.43 -0.24 0.97 1.25 -0.76 0.00 0.00 175.35 177.00 2dll h LEU 9 N 7.88 0.35 -0.40 3.17 5.85 -1.97 -2.56 115.31 127.62 2dll h LEU 9 Ca -0.23 -0.86 0.04 0.00 0.84 0.00 0.00 57.88 57.67 2dll h LEU 9 Cb 1.13 -0.11 -0.05 0.00 0.37 0.00 0.00 40.66 42.00 2dll h LEU 9 CO 0.21 1.17 -0.24 -1.14 -0.34 0.00 0.00 178.44 178.10 2dll n ARG 10 N -4.32 -0.18 0.16 1.25 0.63 -1.26 0.07 116.66 113.01 2dll n ARG 10 Ca -0.11 1.08 -0.12 0.00 -0.92 0.00 0.00 57.85 57.78 2dll n ARG 10 Cb 0.65 -1.60 -0.07 0.00 0.45 0.00 0.00 32.46 31.88 2dll n ARG 10 CO 0.00 0.00 0.00 0.37 -2.51 0.00 0.00 177.63 175.49 2dll h GLN 11 N 0.00 -0.45 -0.68 -0.14 5.75 -2.00 -2.84 115.11 114.76 2dll h GLN 11 Ca 0.06 0.03 0.06 0.00 -0.15 0.00 0.00 58.65 58.66 2dll h GLN 11 Cb 0.17 0.10 -0.08 0.00 1.07 0.00 0.00 27.48 28.74 2dll h GLN 11 CO -0.38 -0.12 -0.40 1.87 -2.65 0.00 0.00 178.83 177.15 2dll n TRP 12 N -5.12 -0.30 0.21 3.99 -0.00 -0.93 -0.24 117.44 115.05 2dll n TRP 12 Ca -0.09 0.85 -0.16 0.00 -0.00 0.00 0.00 57.50 58.10 2dll n TRP 12 Cb 0.27 -0.54 -0.09 0.00 -0.00 0.00 0.00 31.31 30.96 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 -1.31 -0.98 5.87 5.85 -0.46 -1.81 115.31 122.47 2dll h LEU 13 Ca 0.11 0.12 0.34 0.00 0.84 0.00 0.00 57.88 59.28 2dll h LEU 13 Cb 0.28 0.45 -0.16 0.00 0.37 0.00 0.00 40.66 41.60 2dll h LEU 13 CO -0.64 -0.56 0.45 0.40 -0.34 0.00 0.00 178.44 177.76 2dll h ILE 14 N -0.82 0.17 -0.78 4.05 2.04 -0.86 0.95 117.51 122.25 2dll h ILE 14 Ca -0.04 -0.06 -0.04 0.00 1.00 0.00 0.00 64.86 65.72 2dll h ILE 14 Cb 0.75 -0.01 -0.03 0.00 -0.74 0.00 0.00 36.82 36.78 2dll h ILE 14 CO -0.13 0.03 0.32 -0.78 0.00 0.00 0.00 178.15 177.59 2dll h ASP 15 N 0.16 1.08 -0.49 1.72 1.82 0.19 -0.90 116.42 120.01 2dll h ASP 15 Ca 0.73 -0.17 -0.12 0.00 -0.39 0.00 0.00 57.03 57.08 2dll h ASP 15 Cb 1.74 -0.28 -0.01 0.00 0.68 0.00 0.00 39.33 41.46 2dll h ASP 15 CO -0.70 0.95 -0.18 1.56 -1.61 0.00 0.00 179.24 179.26 2dll h GLN 16 N 1.13 0.98 0.03 0.28 1.08 0.15 -2.66 115.11 116.11 2dll h GLN 16 Ca 0.26 -0.40 -0.00 0.00 -1.45 0.00 0.00 58.65 57.06 2dll h GLN 16 Cb 0.21 -0.04 0.00 0.00 -0.05 0.00 0.00 27.48 27.60 2dll h GLN 16 CO -0.02 1.08 -0.01 0.82 -0.95 0.00 0.00 178.83 179.74 2dll h ILE 17 N 0.83 1.15 -0.32 2.54 2.04 -0.82 -2.26 117.51 120.68 2dll h ILE 17 Ca 0.12 -0.56 0.07 0.00 1.00 0.00 0.00 64.86 65.48 2dll h ILE 17 Cb 0.75 1.52 -0.07 0.00 -0.74 0.00 0.00 36.82 38.29 2dll h ILE 17 CO 0.06 0.14 -0.14 -0.78 0.00 0.00 0.00 178.15 177.43 2dll h ASP 18 N -0.28 -0.48 -0.69 1.72 3.58 -1.18 -1.61 116.42 117.48 2dll h ASP 18 Ca -0.00 0.12 0.06 0.00 0.42 0.00 0.00 57.03 57.63 2dll h ASP 18 Cb 0.26 0.27 -0.06 0.00 1.72 0.00 0.00 39.33 41.53 2dll h ASP 18 CO 0.01 -0.18 0.38 0.77 -2.88 0.00 0.00 179.24 177.34 2dll h SER 19 N -0.09 0.56 -0.70 2.28 4.64 -1.44 -3.46 113.55 115.33 2dll h SER 19 Ca 0.16 0.03 -0.11 0.00 -0.47 0.00 0.00 61.79 61.40 2dll h SER 19 Cb 0.33 -0.07 -0.01 0.00 -0.31 0.00 0.00 62.40 62.34 2dll h SER 19 CO -0.38 0.35 -0.14 0.61 -0.87 0.00 0.00 176.83 176.41 2dll n GLY 20 N -1.29 0.28 0.24 -0.77 0.00 -0.61 -4.94 105.19 98.09 2dll n GLY 20 Ca 0.09 -0.68 -0.15 0.00 0.00 0.00 0.00 46.02 45.28 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 0.84 -6.25 1.61 1.57 -1.86 -3.44 116.57 109.04 2dll h LYS 21 Ca -0.13 -0.54 -0.57 0.00 -1.87 0.00 0.00 60.65 57.54 2dll h LYS 21 Cb 0.95 0.07 -0.04 0.00 0.08 0.00 0.00 32.23 33.28 2dll h LYS 21 CO 0.16 1.17 -0.09 0.71 -0.57 0.00 0.00 179.45 180.83 2dll s TYR 22 N -4.12 3.67 0.60 -1.35 1.51 -1.26 -5.07 117.35 111.34 2dll s TYR 22 Ca -0.11 1.09 -0.17 0.00 -1.01 0.00 0.00 57.07 56.87 2dll s TYR 22 Cb 0.10 -2.38 -0.03 0.00 -0.11 0.00 0.00 41.96 39.54 2dll s TYR 22 CO 0.88 0.50 1.12 -1.25 -1.11 0.00 0.00 175.55 175.69 2dll s PRO 23 N -1.64 3.08 0.00 -1.71 0.04 -1.26 -3.47 135.00 130.04 2dll s PRO 23 Ca 0.34 1.51 0.00 0.00 0.04 0.00 0.00 61.00 62.88 2dll s PRO 23 Cb -0.16 -1.98 0.00 0.00 0.04 0.00 0.00 34.50 32.40 2dll s PRO 23 CO 0.18 -1.05 0.00 0.41 0.04 0.00 0.00 177.00 176.59 2dll n GLY 24 N -0.17 1.13 3.56 0.56 0.00 -1.26 -4.66 105.19 104.35 2dll n GLY 24 Ca 0.11 -0.04 -0.39 0.00 0.00 0.00 0.00 46.02 45.69 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 3.34 -0.03 0.99 2.96 -1.23 -4.45 118.68 120.25 2dll s LEU 25 Ca 0.00 0.50 -0.14 0.00 -0.22 0.00 0.00 54.13 54.26 2dll s LEU 25 Cb 0.00 -2.73 0.03 0.00 0.50 0.00 0.00 46.19 43.98 2dll s LEU 25 CO 0.00 -2.22 0.32 0.68 -1.32 0.00 0.00 176.35 173.81 2dll s VAL 26 N 8.51 0.05 -0.16 1.68 -7.23 -1.20 -4.70 120.40 117.33 2dll s VAL 26 Ca 0.68 -0.39 -0.29 0.00 -1.81 0.00 0.00 61.98 60.17 2dll s VAL 26 Cb -0.14 -0.60 -0.01 0.00 0.56 0.00 0.00 36.38 36.19 2dll s VAL 26 CO 0.23 -0.21 1.15 0.26 -0.31 0.00 0.00 175.10 176.22 2dll s TRP 27 N -1.07 3.14 0.41 2.82 0.52 -1.26 -1.87 118.94 121.63 2dll s TRP 27 Ca -0.11 1.26 0.33 0.00 0.02 0.00 0.00 56.10 57.59 2dll s TRP 27 Cb -0.05 -3.38 1.67 0.00 -1.15 0.00 0.00 33.47 30.56 2dll s TRP 27 CO 0.04 -1.08 2.13 0.93 0.02 0.00 0.00 176.95 178.99 2dll h GLU 28 N 7.71 0.00 -5.04 4.98 5.08 0.56 -3.44 114.58 124.42 2dll h GLU 28 Ca -0.26 0.00 -0.55 0.00 -1.00 0.00 0.00 59.36 57.56 2dll h GLU 28 Cb 1.10 0.00 -0.13 0.00 0.50 0.00 0.00 28.75 30.22 2dll h GLU 28 CO 0.94 0.06 -0.52 0.54 -1.00 0.00 0.00 179.01 179.04 2dll s ASN 29 N -5.84 2.69 0.21 1.42 2.20 -1.22 -5.04 114.94 109.36 2dll s ASN 29 Ca -0.03 -1.66 0.18 0.00 -0.94 0.00 0.00 52.86 50.42 2dll s ASN 29 Cb 0.12 0.47 0.02 0.00 -2.00 0.00 0.00 41.25 39.87 2dll s ASN 29 CO 0.54 -0.92 1.17 -0.33 -2.94 0.00 0.00 177.10 174.62 2dll h GLU 30 N 1.83 0.00 0.00 3.55 4.39 -1.93 -3.26 114.58 119.16 2dll h GLU 30 Ca -0.35 0.00 0.00 0.00 0.34 0.00 0.00 59.36 59.35 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 0.57 0.26 0.00 -0.85 -1.16 0.00 0.00 179.01 177.82 2dll n GLU 31 N -2.98 0.07 -2.66 2.33 0.28 -1.26 -4.84 120.64 111.58 2dll n GLU 31 Ca -0.02 0.25 -0.22 0.00 -0.16 0.00 0.00 57.16 57.01 2dll n GLU 31 Cb 0.70 -1.50 0.01 0.00 1.43 0.00 0.00 31.44 32.08 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 -1.41 -3.02 -0.12 3.44 4.76 -1.23 -4.87 118.16 115.70 2dll n LYS 32 Ca 0.04 0.97 -0.16 0.00 -2.87 0.00 0.00 58.31 56.29 2dll n LYS 32 Cb 0.12 -5.72 -0.12 0.00 -1.84 0.00 0.00 35.03 27.47 2dll n LYS 32 CO 0.00 0.00 0.00 0.45 -1.37 0.00 0.00 177.40 176.48 2dll n SER 33 N -2.23 1.96 -4.57 4.39 2.88 -1.26 -4.96 113.62 109.83 2dll n SER 33 Ca -0.19 -0.12 -0.34 0.00 -1.33 0.00 0.00 58.87 56.89 2dll n SER 33 Cb 0.66 -0.28 -0.11 0.00 -0.75 0.00 0.00 64.21 63.73 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 -2.49 3.84 0.28 2.46 1.01 -1.26 -2.05 121.20 122.99 2dll s ILE 34 Ca -0.31 -0.41 -0.05 0.00 0.00 0.00 0.00 60.65 59.87 2dll s ILE 34 Cb 0.08 -2.61 -0.01 0.00 0.01 0.00 0.00 42.46 39.93 2dll s ILE 34 CO 0.58 0.57 0.39 0.72 0.00 0.00 0.00 174.94 177.20 2dll s PHE 35 N -0.51 0.89 -0.04 3.97 -0.71 -1.16 0.12 117.98 120.54 2dll s PHE 35 Ca 0.08 -1.14 0.02 0.00 -1.04 0.00 0.00 56.93 54.85 2dll s PHE 35 Cb -0.12 -0.13 0.01 0.00 -1.21 0.00 0.00 43.02 41.57 2dll s PHE 35 CO 0.02 -0.96 -0.10 -0.98 -1.34 0.00 0.00 175.22 171.86 2dll s ARG 36 N -3.65 1.24 -0.08 1.99 1.70 -0.78 -2.60 118.95 116.77 2dll s ARG 36 Ca 0.30 -0.33 0.02 0.00 -0.47 0.00 0.00 55.73 55.25 2dll s ARG 36 Cb 0.01 -1.10 -0.02 0.00 -0.57 0.00 0.00 34.95 33.27 2dll s ARG 36 CO 0.15 0.07 -0.15 -1.50 -1.08 0.00 0.00 175.30 172.79 2dll s ILE 37 N 0.45 2.99 -0.32 4.99 2.07 -0.42 -3.27 121.20 127.68 2dll s ILE 37 Ca -0.08 -0.72 -0.29 0.00 -1.41 0.00 0.00 60.65 58.15 2dll s ILE 37 Cb -0.12 -2.20 -0.01 0.00 0.13 0.00 0.00 42.46 40.26 2dll s ILE 37 CO 0.02 0.56 1.68 -2.16 -1.91 0.00 0.00 174.94 173.13 2dll s PRO 38 N -0.27 3.49 -0.11 3.50 0.04 -1.26 0.47 135.00 140.86 2dll s PRO 38 Ca 0.02 1.38 0.15 0.00 0.04 0.00 0.00 61.00 62.58 2dll s PRO 38 Cb -0.13 -4.13 0.62 0.00 0.04 0.00 0.00 34.50 30.91 2dll s PRO 38 CO 0.03 -1.67 1.50 1.87 0.04 0.00 0.00 177.00 178.77 2dll n TRP 39 N 9.57 1.32 -2.40 0.56 -0.00 -0.52 -4.92 117.44 121.05 2dll n TRP 39 Ca 0.21 -0.52 -0.35 0.00 -0.00 0.00 0.00 57.50 56.84 2dll n TRP 39 Cb 0.47 -0.24 -0.02 0.00 -0.00 0.00 0.00 31.31 31.52 2dll n TRP 39 CO 0.00 0.00 0.00 0.21 -0.00 0.00 0.00 177.69 177.90 2dll s LYS 40 N -1.87 3.75 -0.15 5.87 2.20 -1.22 -4.92 119.74 123.40 2dll s LYS 40 Ca 0.44 1.55 -0.05 0.00 -0.36 0.00 0.00 55.97 57.55 2dll s LYS 40 Cb 0.29 -2.23 0.07 0.00 -1.51 0.00 0.00 37.83 34.44 2dll s LYS 40 CO 0.20 -0.51 0.31 -1.58 -0.36 0.00 0.00 175.35 173.41 2dll s HIS 41 N -1.76 -0.52 0.34 4.03 5.65 -1.26 -5.08 115.29 116.69 2dll s HIS 41 Ca 0.66 1.12 0.07 0.00 0.25 0.00 0.00 55.06 57.16 2dll s HIS 41 Cb -0.22 0.06 -0.02 0.00 -1.18 0.00 0.00 32.58 31.22 2dll s HIS 41 CO 0.27 -0.39 0.39 0.00 -0.65 0.00 0.00 174.74 174.36 2dll s ALA 42 N 2.45 4.06 -0.60 1.58 0.00 -1.26 -5.07 121.76 122.92 2dll s ALA 42 Ca 0.00 -1.58 0.06 0.00 0.00 0.00 0.00 51.96 50.44 2dll s ALA 42 Cb -0.12 -1.41 0.29 0.00 0.00 0.00 0.00 23.12 21.88 2dll s ALA 42 CO -0.10 -0.03 0.82 0.41 0.00 0.00 0.00 175.76 176.86 2dll n GLY 43 N -1.52 5.07 3.19 0.00 0.00 -1.26 -5.05 105.19 105.62 2dll n GLY 43 Ca -0.00 -2.73 -0.09 0.00 0.00 0.00 0.00 46.02 43.19 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 -2.84 0.80 -0.23 1.61 1.02 -1.26 -5.09 119.74 113.74 2dll s LYS 44 Ca 0.43 -0.90 -0.16 0.00 0.02 0.00 0.00 55.97 55.36 2dll s LYS 44 Cb 0.21 0.32 -0.11 0.00 -0.52 0.00 0.00 37.83 37.73 2dll s LYS 44 CO -0.07 -0.24 -0.25 0.94 -0.92 0.00 0.00 175.35 174.81 2dll n GLN 45 N 0.12 0.56 -0.41 1.68 -0.06 -1.26 -4.40 117.38 113.61 2dll n GLN 45 Ca -0.16 0.32 0.35 0.00 -2.00 0.00 0.00 57.00 55.52 2dll n GLN 45 Cb 0.62 -1.53 0.63 0.00 -4.06 0.00 0.00 30.24 25.89 2dll n GLN 45 CO 0.00 0.00 0.00 -0.44 -0.20 0.00 0.00 177.06 176.42 2dll h ASP 46 N -1.00 0.28 -2.71 1.69 3.32 -2.05 -3.41 116.42 112.54 2dll h ASP 46 Ca -0.40 0.19 -0.35 0.00 0.02 0.00 0.00 57.03 56.49 2dll h ASP 46 Cb 1.30 0.18 0.20 0.00 0.22 0.00 0.00 39.33 41.24 2dll h ASP 46 CO -0.24 -0.29 -0.22 0.00 -1.72 0.00 0.00 179.24 176.77 2dll n TYR 47 N -4.92 -3.00 -3.12 4.55 4.11 -1.26 -4.92 117.16 108.60 2dll n TYR 47 Ca 0.38 -0.49 -0.43 0.00 -0.00 0.00 0.00 57.90 57.36 2dll n TYR 47 Cb 1.40 -1.41 -0.06 0.00 -0.00 0.00 0.00 39.34 39.26 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 -2.66 6.27 -0.13 9.48 -0.87 -1.26 -4.88 114.94 120.88 2dll s ASN 48 Ca 0.60 -0.65 0.13 0.00 -1.57 0.00 0.00 52.86 51.37 2dll s ASN 48 Cb -0.13 -2.31 -0.24 0.00 -0.02 0.00 0.00 41.25 38.56 2dll s ASN 48 CO 0.53 -0.86 0.33 -2.11 -2.57 0.00 0.00 177.10 172.42 2dll n ARG 49 N 6.28 0.67 -0.21 -0.60 0.00 -1.26 -3.36 116.66 118.17 2dll n ARG 49 Ca -0.04 0.16 -0.09 0.00 -0.00 0.00 0.00 57.85 57.88 2dll n ARG 49 Cb 0.47 -1.65 0.03 0.00 -0.00 0.00 0.00 32.46 31.30 2dll n ARG 49 CO 0.00 0.00 0.00 0.93 0.00 0.00 0.00 177.63 178.56 2dll h GLU 50 N 0.01 1.05 0.20 2.89 4.39 -1.92 -0.56 114.58 120.64 2dll h GLU 50 Ca -0.43 -0.31 -0.01 0.00 0.34 0.00 0.00 59.36 58.95 2dll h GLU 50 Cb 2.11 -0.11 0.00 0.00 -0.10 0.00 0.00 28.75 30.65 2dll h GLU 50 CO 0.05 1.01 -0.10 0.93 -1.16 0.00 0.00 179.01 179.74 2dll h GLU 51 N 0.95 -0.26 -0.65 2.33 5.08 -1.98 -0.92 114.58 119.13 2dll h GLU 51 Ca 0.18 0.02 0.13 0.00 -1.00 0.00 0.00 59.36 58.69 2dll h GLU 51 Cb 0.51 0.06 -0.10 0.00 0.50 0.00 0.00 28.75 29.72 2dll h GLU 51 CO 0.02 -0.07 0.14 0.22 -1.00 0.00 0.00 179.01 178.33 2dll h ASP 52 N -1.04 0.00 -0.41 1.42 3.58 -1.63 0.31 116.42 118.64 2dll h ASP 52 Ca -0.03 0.13 0.00 0.00 0.42 0.00 0.00 57.03 57.55 2dll h ASP 52 Cb 0.31 0.17 0.00 0.00 1.72 0.00 0.00 39.33 41.53 2dll h ASP 52 CO 0.05 -0.01 0.00 0.00 -2.88 0.00 0.00 179.24 176.40 2dll n ALA 53 N -2.63 3.18 -0.16 -0.78 0.00 -0.22 -4.32 120.51 115.58 2dll n ALA 53 Ca 0.11 -1.18 -0.09 0.00 0.00 0.00 0.00 53.44 52.28 2dll n ALA 53 Cb 0.37 -1.05 0.00 0.00 0.00 0.00 0.00 19.45 18.77 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 3.48 0.61 0.23 0.00 0.00 0.11 0.20 119.26 123.90 2dll h ALA 54 Ca 0.00 -0.18 -0.01 0.00 0.00 0.00 0.00 54.91 54.72 2dll h ALA 54 Cb 1.29 -0.18 0.00 0.00 0.00 0.00 0.00 17.79 18.90 2dll h ALA 54 CO 0.25 0.26 -0.11 1.25 0.00 0.00 0.00 179.25 180.90 2dll h LEU 55 N 0.62 -0.26 -0.50 0.00 5.85 -1.75 -2.34 115.31 116.93 2dll h LEU 55 Ca 0.15 -0.06 -0.03 0.00 0.84 0.00 0.00 57.88 58.78 2dll h LEU 55 Cb 0.27 0.07 -0.02 0.00 0.37 0.00 0.00 40.66 41.35 2dll h LEU 55 CO -0.00 -0.11 0.19 -0.26 -0.34 0.00 0.00 178.44 177.92 2dll h PHE 56 N -0.40 0.77 -0.57 1.25 -1.00 -1.84 -2.10 116.94 113.05 2dll h PHE 56 Ca -0.03 -0.06 0.11 0.00 2.81 0.00 0.00 57.97 60.80 2dll h PHE 56 Cb 0.31 -0.23 -0.09 0.00 3.61 0.00 0.00 35.95 39.55 2dll h PHE 56 CO -0.03 0.65 0.00 -0.22 -1.61 0.00 0.00 178.31 177.09 2dll h LYS 57 N 0.66 0.12 -0.58 1.51 1.63 -0.50 -0.82 116.57 118.60 2dll h LYS 57 Ca 0.16 -0.01 -0.10 0.00 -0.85 0.00 0.00 60.65 59.86 2dll h LYS 57 Cb 0.21 -0.03 -0.02 0.00 -0.60 0.00 0.00 32.23 31.79 2dll h LYS 57 CO -0.01 0.08 -0.03 0.00 -3.45 0.00 0.00 179.45 176.04 2dll h ALA 58 N 1.51 0.78 -0.07 5.00 0.00 -1.24 -3.02 119.26 122.21 2dll h ALA 58 Ca 0.29 -0.32 0.03 0.00 0.00 0.00 0.00 54.91 54.91 2dll h ALA 58 Cb 0.46 -0.21 -0.06 0.00 0.00 0.00 0.00 17.79 17.98 2dll h ALA 58 CO -0.48 0.64 -0.52 2.35 0.00 0.00 0.00 179.25 181.24 2dll h TRP 59 N 0.92 -1.51 0.10 0.00 2.91 -0.46 0.38 115.95 118.29 2dll h TRP 59 Ca 0.16 0.05 0.00 0.00 1.13 0.00 0.00 58.89 60.23 2dll h TRP 59 Cb 0.59 0.67 -0.01 0.00 -0.51 0.00 0.00 29.16 29.89 2dll h TRP 59 CO 0.04 -0.55 -0.17 0.00 -1.03 0.00 0.00 178.44 176.73 2dll h ALA 60 N -0.27 -0.79 -0.98 2.65 0.00 -1.43 0.21 119.26 118.66 2dll h ALA 60 Ca 0.03 -0.05 0.29 0.00 0.00 0.00 0.00 54.91 55.19 2dll h ALA 60 Cb 0.69 0.52 -0.14 0.00 0.00 0.00 0.00 17.79 18.86 2dll h ALA 60 CO -0.39 -0.81 0.52 -0.07 0.00 0.00 0.00 179.25 178.49 2dll h LEU 61 N -0.29 0.46 0.38 0.00 3.38 -1.41 0.13 115.31 117.95 2dll h LEU 61 Ca -0.01 0.18 -0.02 0.00 0.09 0.00 0.00 57.88 58.12 2dll h LEU 61 Cb 0.27 0.14 0.00 0.00 0.09 0.00 0.00 40.66 41.17 2dll h LEU 61 CO -0.06 -0.10 -0.18 0.15 0.09 0.00 0.00 178.44 178.34 2dll h PHE 62 N 0.35 -0.47 -0.00 1.13 3.57 0.40 -3.34 116.94 118.58 2dll h PHE 62 Ca 0.69 -0.01 0.01 0.00 3.53 0.00 0.00 57.97 62.19 2dll h PHE 62 Cb 1.50 0.15 -0.04 0.00 2.79 0.00 0.00 35.95 40.36 2dll h PHE 62 CO -0.05 -0.29 -0.34 0.87 -2.23 0.00 0.00 178.31 176.27 2dll h LYS 63 N -0.60 -0.41 0.00 1.11 1.79 0.15 -3.45 116.57 115.16 2dll h LYS 63 Ca -0.05 0.03 0.00 0.00 -2.18 0.00 0.00 60.65 58.45 2dll h LYS 63 Cb 0.39 0.09 0.00 0.00 -1.58 0.00 0.00 32.23 31.13 2dll h LYS 63 CO 0.08 -0.27 0.00 0.41 -1.08 0.00 0.00 179.45 178.59 2dll n GLY 64 N -1.29 2.68 2.63 3.86 0.00 0.38 -4.84 105.19 108.60 2dll n GLY 64 Ca -0.05 -1.82 -0.26 0.00 0.00 0.00 0.00 46.02 43.89 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 4.07 0.17 0.12 1.61 3.01 -1.26 -4.57 119.74 122.88 2dll s LYS 65 Ca 0.00 -0.16 0.02 0.00 -1.01 0.00 0.00 55.97 54.82 2dll s LYS 65 Cb 0.00 -1.86 -0.04 0.00 -1.01 0.00 0.00 37.83 34.92 2dll s LYS 65 CO 0.00 -0.68 -0.06 0.12 0.51 0.00 0.00 175.35 175.24 2dll s PHE 66 N 2.09 1.00 -0.09 3.18 2.19 -1.26 -5.04 117.98 120.05 2dll s PHE 66 Ca 0.02 -0.90 0.02 0.00 0.33 0.00 0.00 56.93 56.40 2dll s PHE 66 Cb -0.16 -0.56 0.01 0.00 -1.31 0.00 0.00 43.02 41.00 2dll s PHE 66 CO -0.10 -0.11 -0.13 1.03 1.83 0.00 0.00 175.22 177.74 2dll s ARG 67 N -3.83 1.96 0.04 10.12 1.81 -1.26 -4.90 118.95 122.89 2dll s ARG 67 Ca 0.14 -0.48 -0.11 0.00 -1.72 0.00 0.00 55.73 53.56 2dll s ARG 67 Cb 0.05 -1.67 -0.33 0.00 -0.45 0.00 0.00 34.95 32.55 2dll s ARG 67 CO -0.03 -0.04 1.02 1.05 -0.68 0.00 0.00 175.30 176.63 2dll h GLU 68 N 7.30 0.44 -0.12 3.54 4.11 -1.96 0.04 114.58 127.93 2dll h GLU 68 Ca -0.30 -0.75 -0.20 0.00 0.07 0.00 0.00 59.36 58.17 2dll h GLU 68 Cb 1.18 0.28 0.00 0.00 0.50 0.00 0.00 28.75 30.71 2dll h GLU 68 CO 0.47 1.36 -0.74 0.78 0.07 0.00 0.00 179.01 180.95 2dll h GLY 69 N 0.70 0.63 0.00 1.06 0.00 -2.00 -3.36 103.07 100.09 2dll h GLY 69 Ca -0.22 -0.88 -0.11 0.00 0.00 0.00 0.00 47.33 46.12 2dll h GLY 69 CO 0.25 0.78 -0.70 -2.22 0.00 0.00 0.00 176.54 174.65 2dll h ILE 70 N 0.39 0.90 -2.48 2.60 2.04 -1.99 -3.48 117.51 115.50 2dll h ILE 70 Ca -0.04 -1.92 -0.46 0.00 1.00 0.00 0.00 64.86 63.45 2dll h ILE 70 Cb 1.33 1.95 0.08 0.00 -0.74 0.00 0.00 36.82 39.44 2dll h ILE 70 CO 0.14 0.31 0.11 -0.62 0.00 0.00 0.00 178.15 178.09 2dll s ASP 71 N -6.39 4.47 -0.27 1.72 -1.08 0.00 -5.07 116.67 110.06 2dll s ASP 71 Ca -0.21 -0.19 -0.14 0.00 -0.52 0.00 0.00 52.55 51.49 2dll s ASP 71 Cb 0.02 -0.28 -0.04 0.00 -1.46 0.00 0.00 42.92 41.16 2dll s ASP 71 CO 0.50 -1.77 0.33 -0.75 0.52 0.00 0.00 175.17 174.00 2dll s LYS 72 N -5.13 4.01 0.01 4.34 2.36 -1.26 -4.43 119.74 119.64 2dll s LYS 72 Ca 0.65 -0.04 -0.30 0.00 -2.55 0.00 0.00 55.97 53.72 2dll s LYS 72 Cb -0.07 -3.65 -0.06 0.00 -1.05 0.00 0.00 37.83 33.01 2dll s LYS 72 CO 0.44 -0.24 1.44 -1.25 1.55 0.00 0.00 175.35 177.29 2dll s PRO 73 N 1.95 4.27 -0.29 4.03 0.04 -1.26 -5.00 135.00 138.73 2dll s PRO 73 Ca 0.13 2.02 0.00 0.00 0.04 0.00 0.00 61.00 63.19 2dll s PRO 73 Cb -0.16 -3.57 0.09 0.00 0.04 0.00 0.00 34.50 30.90 2dll s PRO 73 CO 0.10 -0.59 0.06 -0.51 0.04 0.00 0.00 177.00 176.09 2dll s ASP 74 N 1.94 4.06 0.28 6.66 1.01 -1.26 -5.01 116.67 124.35 2dll s ASP 74 Ca 0.65 -1.60 0.02 0.00 0.71 0.00 0.00 52.55 52.33 2dll s ASP 74 Cb -0.33 -1.04 0.67 0.00 1.01 0.00 0.00 42.92 43.23 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 7.99 0.35 -0.54 8.23 0.11 -2.00 -1.85 132.00 144.29 2dll h PRO 75 Ca -0.13 -0.02 0.11 0.00 0.11 0.00 0.00 66.00 66.07 2dll h PRO 75 Cb 1.03 -0.08 -0.11 0.00 0.11 0.00 0.00 31.00 31.96 2dll h PRO 75 CO 0.46 0.23 -0.21 -1.35 -0.21 0.00 0.00 178.00 176.92 2dll h PRO 76 N 0.36 -0.08 -0.50 1.05 0.11 -1.98 0.23 132.00 131.19 2dll h PRO 76 Ca 0.53 0.01 0.08 0.00 0.11 0.00 0.00 66.00 66.72 2dll h PRO 76 Cb 0.99 0.02 -0.07 0.00 0.11 0.00 0.00 31.00 32.05 2dll h PRO 76 CO -0.54 -0.05 0.13 1.15 -0.21 0.00 0.00 178.00 178.48 2dll h THR 77 N -0.09 0.75 -0.11 -1.15 2.02 -1.76 0.17 112.91 112.74 2dll h THR 77 Ca 0.25 -0.09 -0.01 0.00 0.77 0.00 0.00 66.41 67.32 2dll h THR 77 Cb 0.47 0.45 -0.00 0.00 -1.74 0.00 0.00 68.15 67.33 2dll h THR 77 CO -0.60 0.05 0.01 -0.50 0.37 0.00 0.00 175.52 174.85 2dll h TRP 78 N 0.28 0.19 0.19 3.16 6.55 -1.21 0.13 115.95 125.25 2dll h TRP 78 Ca 0.25 -0.03 0.01 0.00 0.95 0.00 0.00 58.89 60.07 2dll h TRP 78 Cb 0.32 -0.05 -0.03 0.00 -0.86 0.00 0.00 29.16 28.54 2dll h TRP 78 CO -0.20 0.40 -0.27 -0.22 -1.05 0.00 0.00 178.44 177.09 2dll h LYS 79 N -0.07 -0.51 -0.62 0.49 3.11 -0.11 0.14 116.57 119.00 2dll h LYS 79 Ca 0.03 0.03 -0.03 0.00 -2.81 0.00 0.00 60.65 57.88 2dll h LYS 79 Cb 0.32 0.12 -0.03 0.00 -1.00 0.00 0.00 32.23 31.64 2dll h LYS 79 CO 0.00 -0.34 0.28 1.15 -2.81 0.00 0.00 179.45 177.73 2dll h THR 80 N -0.53 1.22 0.08 1.00 2.02 -0.70 0.66 112.91 116.66 2dll h THR 80 Ca 0.01 -0.64 0.01 0.00 0.77 0.00 0.00 66.41 66.56 2dll h THR 80 Cb 0.52 0.50 -0.01 0.00 -1.74 0.00 0.00 68.15 67.42 2dll h THR 80 CO -0.11 0.26 -0.11 0.03 0.37 0.00 0.00 175.52 175.95 2dll h ARG 81 N 0.85 -0.23 0.18 6.66 3.08 -0.41 -2.19 114.38 122.33 2dll h ARG 81 Ca 0.21 0.02 -0.01 0.00 0.07 0.00 0.00 59.98 60.27 2dll h ARG 81 Cb 0.14 0.05 0.00 0.00 0.08 0.00 0.00 29.97 30.25 2dll h ARG 81 CO -0.02 -0.15 -0.09 1.25 -1.07 0.00 0.00 179.97 179.89 2dll h LEU 82 N -0.24 -0.21 -0.64 3.04 5.85 -0.62 -2.77 115.31 119.73 2dll h LEU 82 Ca 0.01 0.01 0.18 0.00 0.84 0.00 0.00 57.88 58.92 2dll h LEU 82 Cb 0.24 0.05 -0.12 0.00 0.37 0.00 0.00 40.66 41.21 2dll h LEU 82 CO -0.05 -0.10 0.04 -2.11 -0.34 0.00 0.00 178.44 175.87 2dll n ARG 83 N -2.93 -0.05 0.46 1.25 1.85 0.21 0.43 116.66 117.88 2dll n ARG 83 Ca -0.03 0.95 -0.18 0.00 -1.00 0.00 0.00 57.85 57.59 2dll n ARG 83 Cb 0.10 -1.53 -0.09 0.00 -1.05 0.00 0.00 32.46 29.89 2dll n ARG 83 CO 0.00 0.00 0.00 0.00 -0.01 0.00 0.00 177.63 177.62 2dll h ALA 85 N -1.42 -0.09 -0.77 0.00 0.00 0.28 0.18 119.26 117.43 2dll h ALA 85 Ca -0.12 0.20 0.11 0.00 0.00 0.00 0.00 54.91 55.09 2dll h ALA 85 Cb 0.89 1.01 -0.12 0.00 0.00 0.00 0.00 17.79 19.57 2dll h ALA 85 CO 0.20 -0.73 -0.45 1.25 0.00 0.00 0.00 179.25 179.51 2dll h LEU 86 N -0.08 -1.61 -0.67 0.00 5.85 -1.32 0.22 115.31 117.69 2dll h LEU 86 Ca 0.26 0.28 -0.03 0.00 0.84 0.00 0.00 57.88 59.23 2dll h LEU 86 Cb 0.56 0.76 -0.03 0.00 0.37 0.00 0.00 40.66 42.31 2dll h LEU 86 CO -0.86 -0.30 0.29 -1.13 -0.34 0.00 0.00 178.44 176.10 2dll h ASN 87 N -0.12 0.90 -1.01 1.25 -1.24 -0.91 -2.63 115.58 111.82 2dll h ASN 87 Ca 0.22 -0.15 0.12 0.00 0.71 0.00 0.00 56.30 57.20 2dll h ASN 87 Cb 0.54 -0.23 -0.09 0.00 0.73 0.00 0.00 38.32 39.27 2dll h ASN 87 CO -0.82 0.81 0.63 0.11 -1.29 0.00 0.00 177.43 176.87 2dll h LYS 88 N 0.93 0.96 -6.12 6.67 1.79 0.21 -3.41 116.57 117.61 2dll h LYS 88 Ca 0.23 -0.06 -0.66 0.00 -2.18 0.00 0.00 60.65 57.97 2dll h LYS 88 Cb 0.17 -0.22 0.00 0.00 -1.58 0.00 0.00 32.23 30.60 2dll h LYS 88 CO -0.02 0.64 1.21 0.43 -1.08 0.00 0.00 179.45 180.62 2dll n SER 89 N -4.62 2.70 0.09 0.86 7.64 0.40 -4.83 113.62 115.85 2dll n SER 89 Ca 0.19 0.73 -0.05 0.00 1.01 0.00 0.00 58.87 60.75 2dll n SER 89 Cb 0.36 -1.29 -0.02 0.00 -1.01 0.00 0.00 64.21 62.26 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 10.38 0.00 0.00 6.43 2.35 -1.87 -3.06 115.58 129.81 2dll h ASN 90 Ca -0.39 0.00 0.00 0.00 -0.55 0.00 0.00 56.30 55.36 2dll h ASN 90 Cb 1.30 0.00 0.00 0.00 0.05 0.00 0.00 38.32 39.67 2dll h ASN 90 CO 0.98 0.86 0.00 0.47 -1.65 0.00 0.00 177.43 178.09 2dll n ASP 91 N -3.51 0.10 -4.45 5.81 9.92 -1.26 -4.76 116.55 118.39 2dll n ASP 91 Ca -0.00 -1.87 -0.32 0.00 -0.53 0.00 0.00 54.79 52.07 2dll n ASP 91 Cb 0.82 -0.05 -0.13 0.00 -0.64 0.00 0.00 41.12 41.12 2dll n ASP 91 CO 0.00 0.00 0.00 -0.36 0.13 0.00 0.00 177.20 176.97 2dll s PHE 92 N -1.90 2.61 0.10 1.24 0.40 -1.16 0.23 117.98 119.51 2dll s PHE 92 Ca 0.00 -0.22 0.06 0.00 -0.60 0.00 0.00 56.93 56.16 2dll s PHE 92 Cb 0.00 -1.55 -0.04 0.00 0.51 0.00 0.00 43.02 41.94 2dll s PHE 92 CO 0.00 0.19 -0.03 -2.00 0.70 0.00 0.00 175.22 174.08 2dll s GLU 93 N -1.00 2.42 -0.43 0.44 2.56 0.48 -4.84 118.70 118.32 2dll s GLU 93 Ca 0.13 -0.90 -0.20 0.00 0.00 0.00 0.00 54.97 53.99 2dll s GLU 93 Cb -0.10 -2.47 0.02 0.00 2.00 0.00 0.00 34.13 33.58 2dll s GLU 93 CO 0.02 0.53 0.62 -2.00 -0.56 0.00 0.00 175.26 173.87 2dll s GLU 94 N -2.30 3.29 -0.16 4.30 2.12 -1.26 -2.22 118.70 122.47 2dll s GLU 94 Ca 0.25 -0.39 0.13 0.00 0.36 0.00 0.00 54.97 55.32 2dll s GLU 94 Cb -0.11 -3.94 0.64 0.00 0.26 0.00 0.00 34.13 30.98 2dll s GLU 94 CO 0.17 -0.97 1.50 1.28 -0.54 0.00 0.00 175.26 176.70 2dll n LEU 95 N 6.16 4.54 -0.49 2.70 4.77 -0.84 -4.58 117.00 129.25 2dll n LEU 95 Ca -0.02 -2.30 0.38 0.00 -0.03 0.00 0.00 56.01 54.04 2dll n LEU 95 Cb 0.48 -0.60 0.60 0.00 -2.33 0.00 0.00 43.42 41.57 2dll n LEU 95 CO 0.52 0.61 1.09 0.55 -1.33 0.00 0.00 177.39 178.83 2dll n VAL 96 N 0.66 -0.06 -0.27 4.08 3.14 -1.25 0.16 118.33 124.79 2dll n VAL 96 Ca 0.22 1.23 0.06 0.00 -2.96 0.00 0.00 64.34 62.89 2dll n VAL 96 Cb 0.92 -2.04 0.20 0.00 -1.06 0.00 0.00 33.84 31.87 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 0.54 0.00 1.45 5.08 -1.92 -1.09 114.58 118.64 2dll h GLU 97 Ca 0.71 -0.03 -0.16 0.00 -1.00 0.00 0.00 59.36 58.88 2dll h GLU 97 Cb 2.71 -0.12 -0.03 0.00 0.50 0.00 0.00 28.75 31.81 2dll h GLU 97 CO -0.12 0.36 -1.09 0.00 -1.00 0.00 0.00 179.01 177.16 2dll h ARG 98 N 0.55 0.00 -6.43 2.33 3.08 0.12 -3.46 114.38 110.57 2dll h ARG 98 Ca 0.43 0.00 -0.62 0.00 0.07 0.00 0.00 59.98 59.86 2dll h ARG 98 Cb 0.61 0.00 0.07 0.00 0.08 0.00 0.00 29.97 30.72 2dll h ARG 98 CO -0.36 0.44 0.56 -1.13 -1.07 0.00 0.00 179.97 178.41 2dll n SER 99 N -3.05 2.29 -4.06 7.04 3.41 -0.42 -4.93 113.62 113.90 2dll n SER 99 Ca -0.05 1.12 -0.33 0.00 -0.26 0.00 0.00 58.87 59.35 2dll n SER 99 Cb 0.83 -1.32 -0.14 0.00 -0.26 0.00 0.00 64.21 63.31 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 0.24 1.78 -0.02 4.33 -1.52 -1.15 -4.91 119.66 118.41 2dll s GLN 100 Ca 0.77 -1.75 0.19 0.00 -1.95 0.00 0.00 55.36 52.62 2dll s GLN 100 Cb -0.78 -3.26 -0.27 0.00 -0.22 0.00 0.00 33.01 28.48 2dll s GLN 100 CO 0.46 -0.90 0.48 1.28 -0.25 0.00 0.00 175.29 176.36 2dll n LEU 101 N 4.39 0.18 -0.61 2.90 4.77 -1.26 -2.41 117.00 124.95 2dll n LEU 101 Ca -0.01 -0.10 0.01 0.00 -0.03 0.00 0.00 56.01 55.88 2dll n LEU 101 Cb 0.42 0.00 0.06 0.00 -2.33 0.00 0.00 43.42 41.57 2dll n LEU 101 CO 0.25 0.04 0.39 0.47 -1.33 0.00 0.00 177.39 177.21 2dll n ASP 102 N -2.00 1.50 -4.72 -1.43 8.00 -1.26 -4.51 116.55 112.13 2dll n ASP 102 Ca -0.02 -2.11 -0.24 0.00 0.71 0.00 0.00 54.79 53.13 2dll n ASP 102 Cb 0.44 -0.44 -0.07 0.00 -0.02 0.00 0.00 41.12 41.04 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 -1.39 2.76 0.28 0.53 -4.36 -1.26 -5.02 121.20 112.75 2dll s ILE 103 Ca 0.08 -1.74 -0.02 0.00 -0.26 0.00 0.00 60.65 58.71 2dll s ILE 103 Cb 0.06 -2.94 0.36 0.00 1.25 0.00 0.00 42.46 41.19 2dll s ILE 103 CO 0.03 -0.14 1.60 0.28 0.24 0.00 0.00 174.94 176.95 2dll h SER 104 N 1.56 -0.42 -3.72 4.36 0.02 -1.93 -3.27 113.55 110.15 2dll h SER 104 Ca -0.43 0.25 -0.66 0.00 -0.84 0.00 0.00 61.79 60.10 2dll h SER 104 Cb 1.25 0.43 -0.39 0.00 0.14 0.00 0.00 62.40 63.83 2dll h SER 104 CO 0.65 -0.28 -0.74 -0.62 -1.14 0.00 0.00 176.83 174.71 2dll s ASP 105 N -5.10 4.70 0.45 3.07 2.15 -1.26 -5.09 116.67 115.60 2dll s ASP 105 Ca -0.13 -2.01 -0.23 0.00 0.43 0.00 0.00 52.55 50.61 2dll s ASP 105 Cb 0.26 -1.61 -0.07 0.00 -0.30 0.00 0.00 42.92 41.20 2dll s ASP 105 CO 0.77 -0.34 1.17 -2.16 -0.17 0.00 0.00 175.17 174.44 2dll s PRO 106 N 0.94 3.79 -0.07 4.34 0.04 -1.24 -4.86 135.00 137.95 2dll s PRO 106 Ca 0.07 1.79 -0.24 0.00 0.04 0.00 0.00 61.00 62.66 2dll s PRO 106 Cb -0.19 -2.44 0.05 0.00 0.04 0.00 0.00 34.50 31.96 2dll s PRO 106 CO -0.07 -0.53 0.56 1.52 0.04 0.00 0.00 177.00 178.51 2dll s TYR 107 N -1.53 -0.52 -0.20 0.56 1.13 -1.01 -1.45 117.35 114.34 2dll s TYR 107 Ca 0.63 0.97 -0.06 0.00 -1.41 0.00 0.00 57.07 57.20 2dll s TYR 107 Cb -0.29 0.28 -0.03 0.00 -1.10 0.00 0.00 41.96 40.82 2dll s TYR 107 CO 0.35 -0.49 0.02 0.15 -2.51 0.00 0.00 175.55 173.08 2dll s LYS 108 N -0.92 3.71 -0.04 -3.49 1.02 0.18 -2.92 119.74 117.27 2dll s LYS 108 Ca -0.09 -0.48 -0.10 0.00 0.02 0.00 0.00 55.97 55.32 2dll s LYS 108 Cb -0.02 -3.12 -0.05 0.00 -0.52 0.00 0.00 37.83 34.11 2dll s LYS 108 CO 0.06 0.07 0.28 0.08 -0.92 0.00 0.00 175.35 174.92 2dll s VAL 109 N 0.88 5.26 0.03 3.17 1.01 -1.26 -1.30 120.40 128.19 2dll s VAL 109 Ca 0.02 0.47 -0.01 0.00 0.00 0.00 0.00 61.98 62.45 2dll s VAL 109 Cb -0.14 -3.57 -0.02 0.00 0.00 0.00 0.00 36.38 32.65 2dll s VAL 109 CO 0.02 0.54 -0.01 -0.31 0.00 0.00 0.00 175.10 175.34 2dll s TYR 110 N -1.12 0.29 -0.14 5.22 1.51 -1.07 -1.98 117.35 120.06 2dll s TYR 110 Ca 0.22 -0.61 0.02 0.00 -1.01 0.00 0.00 57.07 55.69 2dll s TYR 110 Cb -0.14 -0.22 0.01 0.00 -0.11 0.00 0.00 41.96 41.50 2dll s TYR 110 CO 0.11 -0.24 -0.21 0.50 -1.11 0.00 0.00 175.55 174.60 2dll s ARG 111 N -2.00 3.06 -0.58 -0.62 3.52 -0.94 -2.98 118.95 118.40 2dll s ARG 111 Ca -0.11 -0.83 -0.27 0.00 -0.13 0.00 0.00 55.73 54.39 2dll s ARG 111 Cb -0.06 -2.47 -0.01 0.00 -1.56 0.00 0.00 34.95 30.85 2dll s ARG 111 CO -0.03 -0.01 1.73 0.42 -0.81 0.00 0.00 175.30 176.60 2dll s ILE 112 N 0.82 3.47 -0.16 4.11 1.01 -0.87 -0.39 121.20 129.20 2dll s ILE 112 Ca -0.06 0.33 -0.29 0.00 0.00 0.00 0.00 60.65 60.62 2dll s ILE 112 Cb -0.15 -4.07 -0.00 0.00 0.01 0.00 0.00 42.46 38.24 2dll s ILE 112 CO -0.02 -0.98 1.07 -0.69 0.00 0.00 0.00 174.94 174.32 2dll s VAL 113 N 8.03 4.63 0.59 2.92 1.01 0.64 -4.96 120.40 133.27 2dll s VAL 113 Ca 0.63 1.94 -0.10 0.00 0.00 0.00 0.00 61.98 64.45 2dll s VAL 113 Cb -0.13 -4.25 0.15 0.00 0.00 0.00 0.00 36.38 32.15 2dll s VAL 113 CO 0.22 -0.09 0.52 -0.81 0.00 0.00 0.00 175.10 174.95 2dll n PRO 114 N 5.75 -2.05 -0.25 2.72 -0.04 -1.26 -4.53 135.00 135.34 2dll n PRO 114 Ca 0.11 -0.84 -0.06 0.00 -0.04 0.00 0.00 63.50 62.67 2dll n PRO 114 Cb 0.47 -0.79 0.05 0.00 -0.04 0.00 0.00 33.50 33.19 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 1.01 -4.52 0.54 4.11 -1.96 -3.45 114.58 110.32 2dll h GLU 115 Ca -0.20 -0.15 -0.20 0.00 0.07 0.00 0.00 59.36 58.88 2dll h GLU 115 Cb 0.60 -0.18 -0.16 0.00 0.50 0.00 0.00 28.75 29.51 2dll h GLU 115 CO 0.13 0.80 -0.70 -1.12 0.07 0.00 0.00 179.01 178.19 2dll s SER 116 N -6.12 0.92 0.30 3.06 0.01 -1.26 -5.16 113.70 105.44 2dll s SER 116 Ca -0.13 -0.93 -0.19 0.00 1.31 0.00 0.00 55.95 56.01 2dll s SER 116 Cb 0.14 0.11 0.02 0.00 0.21 0.00 0.00 66.02 66.51 2dll s SER 116 CO 0.80 -0.46 0.71 -0.83 0.41 0.00 0.00 173.24 173.88 2dll s GLY 117 N -2.77 0.05 0.00 3.44 0.00 -1.26 -5.01 107.32 101.77 2dll s GLY 117 Ca 0.07 -0.44 0.05 0.00 0.00 0.00 0.00 44.72 44.40 2dll s GLY 117 CO -0.05 -0.17 0.79 -1.55 0.00 0.00 0.00 173.10 172.11 2dll n PRO 118 N -0.47 0.49 -3.55 2.90 -0.04 -1.26 -4.60 135.00 128.46 2dll n PRO 118 Ca -0.05 0.00 -0.40 0.00 -0.04 0.00 0.00 63.50 63.01 2dll n PRO 118 Cb 0.59 -1.17 -0.11 0.00 -0.04 0.00 0.00 33.50 32.77 2dll n PRO 118 CO 0.00 0.00 0.00 -1.54 -0.04 0.00 0.00 175.50 173.92 2dll s SER 119 N -1.68 5.92 0.10 3.54 1.04 -1.26 -5.05 113.70 116.30 2dll s SER 119 Ca 0.08 -0.59 -0.14 0.00 0.48 0.00 0.00 55.95 55.79 2dll s SER 119 Cb 0.04 -2.10 0.02 0.00 0.10 0.00 0.00 66.02 64.08 2dll s SER 119 CO 0.06 -0.28 0.33 -0.44 0.98 0.00 0.00 173.24 173.89 2dll s SER 120 N 1.67 -0.12 0.00 7.02 0.01 -1.26 -5.14 113.70 115.88 2dll s SER 120 Ca 0.05 -0.40 0.18 0.00 1.31 0.00 0.00 55.95 57.09 2dll s SER 120 Cb -0.18 0.42 0.14 0.00 0.21 0.00 0.00 66.02 66.61 2dll s SER 120 CO 0.09 -0.79 1.06 0.61 0.41 0.00 0.00 173.24 174.62