#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 -0.03 -3.83 1.61 0.87 -2.08 -3.47 113.55 106.62 2dll h SER 2 Ca 0.00 -0.69 -0.15 0.00 -1.23 0.00 0.00 61.79 59.71 2dll h SER 2 Cb 0.00 0.01 -0.25 0.00 -0.44 0.00 0.00 62.40 61.72 2dll h SER 2 CO 0.00 0.73 -0.37 -0.55 -0.53 0.00 0.00 176.83 176.11 2dll s SER 3 N -5.92 -0.31 -1.30 6.23 0.15 -1.26 -5.05 113.70 106.24 2dll s SER 3 Ca -0.16 0.60 -0.09 0.00 0.70 0.00 0.00 55.95 57.00 2dll s SER 3 Cb -0.01 0.60 -0.07 0.00 -1.71 0.00 0.00 66.02 64.83 2dll s SER 3 CO 0.60 -0.10 2.55 0.61 1.20 0.00 0.00 173.24 178.10 2dll n GLY 4 N 2.96 3.73 0.46 9.45 0.00 -1.26 -4.64 105.19 115.89 2dll n GLY 4 Ca -0.13 -1.22 -0.19 0.00 0.00 0.00 0.00 46.02 44.48 2dll n GLY 4 CO 0.00 0.00 0.00 1.76 0.00 0.00 0.00 173.32 175.08 2dll h SER 5 N 5.67 -0.98 -3.52 1.61 0.02 -2.02 -3.39 113.55 110.95 2dll h SER 5 Ca 0.69 0.03 -0.70 0.00 -0.84 0.00 0.00 61.79 60.97 2dll h SER 5 Cb 0.25 0.25 -0.30 0.00 0.14 0.00 0.00 62.40 62.74 2dll h SER 5 CO 1.65 -0.69 -0.53 -0.55 -1.14 0.00 0.00 176.83 175.58 2dll s SER 6 N -4.19 5.41 0.48 3.07 0.15 -1.26 -5.09 113.70 112.28 2dll s SER 6 Ca -0.19 -1.60 -0.21 0.00 0.70 0.00 0.00 55.95 54.65 2dll s SER 6 Cb 0.02 -1.90 -0.07 0.00 -1.71 0.00 0.00 66.02 62.36 2dll s SER 6 CO 0.60 -0.49 1.11 -0.83 1.20 0.00 0.00 173.24 174.82 2dll s GLY 7 N 1.89 2.67 -0.00 9.45 0.00 -1.26 -5.05 107.32 115.01 2dll s GLY 7 Ca 0.03 0.79 -0.28 0.00 0.00 0.00 0.00 44.72 45.26 2dll s GLY 7 CO -0.00 1.18 0.83 1.25 0.00 0.00 0.00 173.10 176.36 2dll s LYS 8 N -2.98 0.90 -0.17 2.90 2.47 -1.26 -5.07 119.74 116.54 2dll s LYS 8 Ca 0.67 -0.21 -0.17 0.00 -1.56 0.00 0.00 55.97 54.70 2dll s LYS 8 Cb -0.23 0.42 -0.22 0.00 -1.46 0.00 0.00 37.83 36.33 2dll s LYS 8 CO 0.28 -0.37 0.32 1.25 0.16 0.00 0.00 175.35 176.99 2dll h LEU 9 N 2.19 0.18 -0.63 5.43 5.85 -1.97 -3.05 115.31 123.31 2dll h LEU 9 Ca -0.24 -0.70 0.06 0.00 0.84 0.00 0.00 57.88 57.84 2dll h LEU 9 Cb 1.23 -0.06 -0.08 0.00 0.37 0.00 0.00 40.66 42.13 2dll h LEU 9 CO 0.33 1.60 -0.37 -1.14 -0.34 0.00 0.00 178.44 178.52 2dll n ARG 10 N -4.09 -0.28 0.04 1.25 0.00 -1.26 0.22 116.66 112.53 2dll n ARG 10 Ca -0.30 1.09 -0.08 0.00 -0.00 0.00 0.00 57.85 58.56 2dll n ARG 10 Cb 0.81 -1.61 -0.05 0.00 0.00 0.00 0.00 32.46 31.61 2dll n ARG 10 CO 0.00 0.00 0.00 0.37 0.00 0.00 0.00 177.63 178.00 2dll h GLN 11 N 0.00 -0.19 -0.75 -0.14 5.75 -2.00 -3.08 115.11 114.69 2dll h GLN 11 Ca 0.10 0.01 0.07 0.00 -0.15 0.00 0.00 58.65 58.68 2dll h GLN 11 Cb 0.26 0.04 -0.09 0.00 1.07 0.00 0.00 27.48 28.76 2dll h GLN 11 CO -0.59 0.14 -0.44 1.87 -2.65 0.00 0.00 178.83 177.15 2dll n TRP 12 N -4.89 -0.33 0.09 3.99 -0.00 -0.90 -0.44 117.44 114.96 2dll n TRP 12 Ca -0.06 0.94 -0.13 0.00 -0.00 0.00 0.00 57.50 58.25 2dll n TRP 12 Cb 0.21 -0.55 -0.06 0.00 -0.00 0.00 0.00 31.31 30.90 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 -1.07 -0.97 5.87 5.85 -0.38 -1.46 115.31 123.15 2dll h LEU 13 Ca 0.12 0.13 0.27 0.00 0.84 0.00 0.00 57.88 59.23 2dll h LEU 13 Cb 0.31 0.41 -0.13 0.00 0.37 0.00 0.00 40.66 41.62 2dll h LEU 13 CO -0.71 -0.43 0.52 0.40 -0.34 0.00 0.00 178.44 177.87 2dll h ILE 14 N -0.56 0.42 -0.66 4.05 2.04 -0.73 0.56 117.51 122.63 2dll h ILE 14 Ca 0.04 -0.15 -0.02 0.00 1.00 0.00 0.00 64.86 65.73 2dll h ILE 14 Cb 0.62 -0.04 -0.03 0.00 -0.74 0.00 0.00 36.82 36.62 2dll h ILE 14 CO -0.24 0.08 0.33 -0.78 0.00 0.00 0.00 178.15 177.54 2dll h ASP 15 N 0.43 0.82 -0.58 1.72 3.58 0.31 -0.60 116.42 122.10 2dll h ASP 15 Ca 0.65 -0.08 -0.09 0.00 0.42 0.00 0.00 57.03 57.94 2dll h ASP 15 Cb 1.34 -0.21 -0.02 0.00 1.72 0.00 0.00 39.33 42.16 2dll h ASP 15 CO -0.55 0.69 0.02 1.56 -2.88 0.00 0.00 179.24 178.08 2dll h GLN 16 N 0.92 1.01 0.04 0.28 1.08 0.58 -1.46 115.11 117.56 2dll h GLN 16 Ca 0.23 -0.31 -0.00 0.00 -1.45 0.00 0.00 58.65 57.12 2dll h GLN 16 Cb 0.07 -0.10 0.00 0.00 -0.05 0.00 0.00 27.48 27.40 2dll h GLN 16 CO -0.03 0.99 -0.02 0.82 -0.95 0.00 0.00 178.83 179.64 2dll h ILE 17 N 0.90 1.27 -0.78 2.54 2.04 -0.94 -2.41 117.51 120.13 2dll h ILE 17 Ca 0.17 -1.02 0.08 0.00 1.00 0.00 0.00 64.86 65.09 2dll h ILE 17 Cb 0.52 1.94 -0.06 0.00 -0.74 0.00 0.00 36.82 38.48 2dll h ILE 17 CO 0.03 0.26 0.45 -0.78 0.00 0.00 0.00 178.15 178.10 2dll h ASP 18 N -0.50 0.66 -0.05 1.72 1.82 -1.12 -0.89 116.42 118.06 2dll h ASP 18 Ca -0.00 0.04 -0.05 0.00 -0.39 0.00 0.00 57.03 56.62 2dll h ASP 18 Cb 0.46 -0.10 -0.01 0.00 0.68 0.00 0.00 39.33 40.36 2dll h ASP 18 CO 0.01 0.41 -0.09 0.77 -1.61 0.00 0.00 179.24 178.72 2dll h SER 19 N 0.79 0.30 -2.04 2.28 4.64 -1.26 -3.46 113.55 114.80 2dll h SER 19 Ca 0.36 -0.06 -0.31 0.00 -0.47 0.00 0.00 61.79 61.31 2dll h SER 19 Cb 0.26 -0.08 -0.03 0.00 -0.31 0.00 0.00 62.40 62.25 2dll h SER 19 CO -0.21 0.43 -0.39 0.61 -0.87 0.00 0.00 176.83 176.40 2dll n GLY 20 N -0.88 -0.05 0.21 -0.77 0.00 -0.34 -4.91 105.19 98.45 2dll n GLY 20 Ca -0.00 -0.24 -0.15 0.00 0.00 0.00 0.00 46.02 45.63 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 0.71 -6.19 1.61 1.57 -1.85 -3.44 116.57 108.99 2dll h LYS 21 Ca -0.36 -0.47 -0.58 0.00 -1.87 0.00 0.00 60.65 57.37 2dll h LYS 21 Cb 1.24 0.06 -0.04 0.00 0.08 0.00 0.00 32.23 33.57 2dll h LYS 21 CO 0.44 1.09 -0.13 0.71 -0.57 0.00 0.00 179.45 180.99 2dll s TYR 22 N -4.05 3.68 0.66 -1.35 1.51 -1.26 -5.07 117.35 111.46 2dll s TYR 22 Ca -0.12 1.05 -0.15 0.00 -1.01 0.00 0.00 57.07 56.84 2dll s TYR 22 Cb 0.08 -2.34 -0.00 0.00 -0.11 0.00 0.00 41.96 39.59 2dll s TYR 22 CO 0.85 0.53 1.11 -1.25 -1.11 0.00 0.00 175.55 175.69 2dll s PRO 23 N -1.54 2.81 0.00 -1.71 0.04 -1.26 -3.66 135.00 129.68 2dll s PRO 23 Ca 0.31 1.39 0.00 0.00 0.04 0.00 0.00 61.00 62.75 2dll s PRO 23 Cb -0.16 -1.95 0.00 0.00 0.04 0.00 0.00 34.50 32.43 2dll s PRO 23 CO 0.17 -1.24 0.00 0.41 0.04 0.00 0.00 177.00 176.38 2dll n GLY 24 N -0.52 1.43 3.56 0.56 0.00 -1.26 -4.75 105.19 104.21 2dll n GLY 24 Ca 0.10 -0.01 -0.38 0.00 0.00 0.00 0.00 46.02 45.74 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 3.39 0.01 0.99 2.96 -1.24 -4.69 118.68 120.10 2dll s LEU 25 Ca 0.00 1.00 -0.03 0.00 -0.22 0.00 0.00 54.13 54.88 2dll s LEU 25 Cb 0.00 -2.72 -0.01 0.00 0.50 0.00 0.00 46.19 43.97 2dll s LEU 25 CO 0.00 -2.54 0.04 0.68 -1.32 0.00 0.00 176.35 173.21 2dll s VAL 26 N 10.49 0.08 -0.44 1.68 -7.23 -1.21 -4.76 120.40 119.00 2dll s VAL 26 Ca 0.88 -0.70 -0.29 0.00 -1.81 0.00 0.00 61.98 60.07 2dll s VAL 26 Cb -0.18 -0.29 0.03 0.00 0.56 0.00 0.00 36.38 36.49 2dll s VAL 26 CO 0.26 -0.38 1.16 0.26 -0.31 0.00 0.00 175.10 176.09 2dll s TRP 27 N -1.21 2.82 0.54 2.82 0.52 -1.26 -1.92 118.94 121.25 2dll s TRP 27 Ca -0.13 0.78 0.30 0.00 0.02 0.00 0.00 56.10 57.07 2dll s TRP 27 Cb -0.08 -4.31 1.46 0.00 -1.15 0.00 0.00 33.47 29.39 2dll s TRP 27 CO 0.00 -1.28 1.92 0.93 0.02 0.00 0.00 176.95 178.54 2dll h GLU 28 N 9.21 0.00 -5.17 4.98 5.08 -0.83 -3.42 114.58 124.43 2dll h GLU 28 Ca -0.23 0.00 -0.64 0.00 -1.00 0.00 0.00 59.36 57.49 2dll h GLU 28 Cb 1.07 0.00 -0.13 0.00 0.50 0.00 0.00 28.75 30.18 2dll h GLU 28 CO 1.11 0.00 -0.52 0.54 -1.00 0.00 0.00 179.01 179.14 2dll s ASN 29 N -5.80 3.68 0.03 1.42 2.20 -1.23 -5.06 114.94 110.17 2dll s ASN 29 Ca -0.05 -1.65 0.09 0.00 -0.94 0.00 0.00 52.86 50.31 2dll s ASN 29 Cb 0.21 0.47 -0.22 0.00 -2.00 0.00 0.00 41.25 39.71 2dll s ASN 29 CO 0.76 -0.86 0.94 -0.33 -2.94 0.00 0.00 177.10 174.66 2dll h GLU 30 N 1.52 0.02 0.00 3.55 5.08 -1.94 -3.28 114.58 119.52 2dll h GLU 30 Ca -0.41 -0.03 0.00 0.00 -1.00 0.00 0.00 59.36 57.92 2dll h GLU 30 Cb 1.30 0.01 0.00 0.00 0.50 0.00 0.00 28.75 30.56 2dll h GLU 30 CO 0.69 0.75 0.00 -0.85 -1.00 0.00 0.00 179.01 178.60 2dll n GLU 31 N -3.20 0.11 -2.67 2.33 0.28 -1.26 -4.82 120.64 111.41 2dll n GLU 31 Ca -0.10 0.59 -0.17 0.00 -0.16 0.00 0.00 57.16 57.32 2dll n GLU 31 Cb 1.00 -1.85 0.02 0.00 1.43 0.00 0.00 31.44 32.04 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 -2.08 -2.97 -0.11 3.44 4.76 -1.24 -4.91 118.16 115.05 2dll n LYS 32 Ca -0.01 0.73 -0.19 0.00 -2.87 0.00 0.00 58.31 55.97 2dll n LYS 32 Cb 0.04 -5.14 -0.12 0.00 -1.84 0.00 0.00 35.03 27.97 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 -1.38 2.00 -4.51 4.39 7.64 -1.26 -4.95 113.62 115.54 2dll n SER 33 Ca -0.12 -0.07 -0.33 0.00 1.01 0.00 0.00 58.87 59.36 2dll n SER 33 Cb 0.61 -0.50 -0.12 0.00 -1.01 0.00 0.00 64.21 63.19 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 -2.52 3.33 0.28 0.44 1.09 -1.26 -2.65 121.20 119.91 2dll s ILE 34 Ca -0.33 -0.62 -0.02 0.00 -1.10 0.00 0.00 60.65 58.58 2dll s ILE 34 Cb 0.09 -2.34 -0.02 0.00 -1.06 0.00 0.00 42.46 39.13 2dll s ILE 34 CO 0.62 0.59 0.34 0.72 -0.10 0.00 0.00 174.94 177.11 2dll s PHE 35 N -0.66 1.09 -0.03 3.97 -0.71 -1.18 -0.11 117.98 120.34 2dll s PHE 35 Ca 0.10 -1.28 0.04 0.00 -1.04 0.00 0.00 56.93 54.75 2dll s PHE 35 Cb -0.11 -0.29 -0.01 0.00 -1.21 0.00 0.00 43.02 41.41 2dll s PHE 35 CO 0.01 -0.92 -0.16 -0.98 -1.34 0.00 0.00 175.22 171.83 2dll s ARG 36 N -3.63 1.54 -0.12 1.99 1.70 -0.81 -2.63 118.95 117.00 2dll s ARG 36 Ca 0.33 -0.57 0.00 0.00 -0.47 0.00 0.00 55.73 55.02 2dll s ARG 36 Cb 0.02 -1.40 -0.01 0.00 -0.57 0.00 0.00 34.95 32.99 2dll s ARG 36 CO 0.17 0.27 -0.14 -1.50 -1.08 0.00 0.00 175.30 173.03 2dll s ILE 37 N -0.11 3.00 -0.21 4.99 2.07 -0.70 -3.36 121.20 126.89 2dll s ILE 37 Ca 0.00 -0.68 -0.29 0.00 -1.41 0.00 0.00 60.65 58.27 2dll s ILE 37 Cb -0.09 -2.25 -0.03 0.00 0.13 0.00 0.00 42.46 40.22 2dll s ILE 37 CO 0.01 0.53 1.60 -2.16 -1.91 0.00 0.00 174.94 173.01 2dll s PRO 38 N 0.27 3.84 -0.41 3.50 0.04 -1.26 0.36 135.00 141.34 2dll s PRO 38 Ca -0.10 1.70 -0.05 0.00 0.04 0.00 0.00 61.00 62.59 2dll s PRO 38 Cb -0.16 -4.02 0.10 0.00 0.04 0.00 0.00 34.50 30.47 2dll s PRO 38 CO 0.06 -1.23 0.23 -0.46 0.04 0.00 0.00 177.00 175.63 2dll s TRP 39 N 5.03 3.47 0.29 0.56 -0.11 -0.72 -4.92 118.94 122.54 2dll s TRP 39 Ca 0.71 -2.07 0.07 0.00 1.22 0.00 0.00 56.10 56.03 2dll s TRP 39 Cb -0.25 -3.12 -0.06 0.00 -1.50 0.00 0.00 33.47 28.54 2dll s TRP 39 CO 0.28 -0.94 -0.06 0.21 -4.62 0.00 0.00 176.95 171.83 2dll s LYS 40 N 1.26 1.57 -0.25 5.86 2.20 -1.26 -4.43 119.74 124.69 2dll s LYS 40 Ca 0.05 -1.80 -0.02 0.00 -0.36 0.00 0.00 55.97 53.84 2dll s LYS 40 Cb -0.23 -1.19 0.12 0.00 -1.51 0.00 0.00 37.83 35.01 2dll s LYS 40 CO -0.02 0.04 0.26 -1.58 -0.36 0.00 0.00 175.35 173.70 2dll s HIS 41 N -2.98 -0.38 -0.09 4.03 5.65 -1.26 -5.04 115.29 115.22 2dll s HIS 41 Ca 0.30 0.04 -0.05 0.00 0.25 0.00 0.00 55.06 55.60 2dll s HIS 41 Cb 0.04 -0.40 -0.02 0.00 -1.18 0.00 0.00 32.58 31.02 2dll s HIS 41 CO 0.12 -0.77 -0.09 0.00 -0.65 0.00 0.00 174.74 173.35 2dll h ALA 42 N 8.28 0.00 0.00 1.58 0.00 -2.03 -3.48 119.26 123.62 2dll h ALA 42 Ca -0.16 -0.32 0.00 0.00 0.00 0.00 0.00 54.91 54.43 2dll h ALA 42 Cb 1.11 0.26 0.00 0.00 0.00 0.00 0.00 17.79 19.16 2dll h ALA 42 CO 0.31 0.26 0.00 0.41 0.00 0.00 0.00 179.25 180.23 2dll n GLY 43 N 1.71 2.66 3.26 0.00 0.00 -1.26 -5.03 105.19 106.53 2dll n GLY 43 Ca -0.04 -0.37 -0.32 0.00 0.00 0.00 0.00 46.02 45.30 2dll n GLY 43 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 173.32 174.49 2dll n LYS 44 N 0.00 -1.71 -0.05 1.61 4.81 -1.26 -4.98 118.16 116.57 2dll n LYS 44 Ca 0.00 -0.49 -0.07 0.00 -0.87 0.00 0.00 58.31 56.89 2dll n LYS 44 Cb 0.00 -1.69 -0.05 0.00 0.02 0.00 0.00 35.03 33.30 2dll n LYS 44 CO 0.00 0.00 0.00 0.94 1.17 0.00 0.00 177.40 179.51 2dll n GLN 45 N -2.13 0.78 0.22 1.64 7.27 -1.26 -4.57 117.38 119.33 2dll n GLN 45 Ca 0.01 0.05 0.07 0.00 0.07 0.00 0.00 57.00 57.20 2dll n GLN 45 Cb 0.62 -1.22 0.52 0.00 2.41 0.00 0.00 30.24 32.57 2dll n GLN 45 CO 0.00 0.00 0.00 -0.44 0.07 0.00 0.00 177.06 176.69 2dll h ASP 46 N 0.00 0.00 -3.61 1.69 3.32 -2.04 -3.45 116.42 112.32 2dll h ASP 46 Ca -0.24 0.00 -0.53 0.00 0.02 0.00 0.00 57.03 56.27 2dll h ASP 46 Cb 1.41 0.00 0.20 0.00 0.22 0.00 0.00 39.33 41.17 2dll h ASP 46 CO -0.03 0.23 -0.30 0.00 -1.72 0.00 0.00 179.24 177.42 2dll n TYR 47 N -3.98 -0.64 -2.52 4.55 4.11 -1.26 -4.89 117.16 112.53 2dll n TYR 47 Ca -0.02 0.30 -0.43 0.00 -0.00 0.00 0.00 57.90 57.75 2dll n TYR 47 Cb 0.31 -1.88 -0.02 0.00 -0.00 0.00 0.00 39.34 37.74 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 -2.04 7.01 -0.16 9.48 -0.87 -1.26 -4.92 114.94 122.18 2dll s ASN 48 Ca 0.62 1.58 -0.21 0.00 -1.57 0.00 0.00 52.86 53.28 2dll s ASN 48 Cb -0.25 -2.54 -0.23 0.00 -0.02 0.00 0.00 41.25 38.21 2dll s ASN 48 CO 0.62 -0.71 0.43 0.03 -2.57 0.00 0.00 177.10 174.90 2dll h ARG 49 N 7.86 0.08 -0.70 -0.60 -0.00 -1.90 -3.33 114.38 115.79 2dll h ARG 49 Ca -0.24 -0.14 0.10 0.00 -0.50 0.00 0.00 59.98 59.20 2dll h ARG 49 Cb 1.09 0.05 -0.10 0.00 0.00 0.00 0.00 29.97 31.01 2dll h ARG 49 CO 0.97 1.07 -0.31 0.39 0.00 0.00 0.00 179.97 182.08 2dll n GLU 50 N -4.29 -0.20 0.20 0.04 -0.58 -1.26 0.45 120.64 115.00 2dll n GLU 50 Ca -0.26 1.07 -0.15 0.00 -0.42 0.00 0.00 57.16 57.41 2dll n GLU 50 Cb 0.72 -1.59 -0.08 0.00 -0.57 0.00 0.00 31.44 29.92 2dll n GLU 50 CO 0.00 0.00 0.00 1.49 -0.48 0.00 0.00 177.13 178.14 2dll h GLU 51 N 0.00 -0.44 -0.98 3.49 4.81 -1.97 1.00 114.58 120.48 2dll h GLU 51 Ca 0.21 0.03 0.20 0.00 -0.13 0.00 0.00 59.36 59.67 2dll h GLU 51 Cb 0.38 0.10 -0.09 0.00 0.63 0.00 0.00 28.75 29.77 2dll h GLU 51 CO -0.69 -0.30 0.62 0.22 -0.73 0.00 0.00 179.01 178.13 2dll h ASP 52 N -0.46 0.63 -0.45 1.04 1.82 -0.11 0.27 116.42 119.17 2dll h ASP 52 Ca -0.04 0.08 0.00 0.00 -0.39 0.00 0.00 57.03 56.68 2dll h ASP 52 Cb 0.37 -0.04 0.00 0.00 0.68 0.00 0.00 39.33 40.34 2dll h ASP 52 CO 0.05 0.23 0.00 0.00 -1.61 0.00 0.00 179.24 177.91 2dll n ALA 53 N -2.41 3.23 -0.24 -0.78 0.00 0.11 -4.61 120.51 115.80 2dll n ALA 53 Ca 0.22 -1.94 0.03 0.00 0.00 0.00 0.00 53.44 51.75 2dll n ALA 53 Cb 0.64 -0.88 0.15 0.00 0.00 0.00 0.00 19.45 19.36 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 2.99 0.99 0.07 0.00 0.00 0.48 0.33 119.26 124.11 2dll h ALA 54 Ca 0.00 0.08 -0.25 0.00 0.00 0.00 0.00 54.91 54.74 2dll h ALA 54 Cb 1.56 0.01 -0.02 0.00 0.00 0.00 0.00 17.79 19.34 2dll h ALA 54 CO 0.29 -0.12 -1.32 1.25 0.00 0.00 0.00 179.25 179.35 2dll h LEU 55 N 0.53 0.22 -0.30 0.00 5.85 -1.81 -3.34 115.31 116.46 2dll h LEU 55 Ca 0.37 -0.76 0.06 0.00 0.84 0.00 0.00 57.88 58.39 2dll h LEU 55 Cb 0.46 -0.07 -0.06 0.00 0.37 0.00 0.00 40.66 41.36 2dll h LEU 55 CO -0.32 1.56 -0.10 -0.26 -0.34 0.00 0.00 178.44 178.98 2dll h PHE 56 N -0.55 -0.23 -0.50 1.25 0.04 -1.80 -2.06 116.94 113.09 2dll h PHE 56 Ca -0.31 0.03 0.10 0.00 2.80 0.00 0.00 57.97 60.59 2dll h PHE 56 Cb 1.58 0.15 -0.10 0.00 2.20 0.00 0.00 35.95 39.78 2dll h PHE 56 CO 0.12 -0.16 -0.22 -0.22 -0.60 0.00 0.00 178.31 177.23 2dll h LYS 57 N -0.04 -0.11 -0.28 1.51 1.63 -0.52 -1.20 116.57 117.56 2dll h LYS 57 Ca 0.15 0.01 0.05 0.00 -0.85 0.00 0.00 60.65 60.01 2dll h LYS 57 Cb 0.27 0.02 -0.05 0.00 -0.60 0.00 0.00 32.23 31.87 2dll h LYS 57 CO -0.33 -0.07 -0.04 0.00 -3.45 0.00 0.00 179.45 175.56 2dll h ALA 58 N 1.22 0.22 -0.67 5.00 0.00 -1.53 -1.78 119.26 121.72 2dll h ALA 58 Ca 0.23 0.10 0.08 0.00 0.00 0.00 0.00 54.91 55.31 2dll h ALA 58 Cb 0.47 0.18 -0.10 0.00 0.00 0.00 0.00 17.79 18.34 2dll h ALA 58 CO -0.57 -0.44 -0.53 2.35 0.00 0.00 0.00 179.25 180.06 2dll h TRP 59 N 0.04 -1.63 0.20 0.00 -0.00 -0.57 0.37 115.95 114.36 2dll h TRP 59 Ca 0.14 0.10 -0.01 0.00 -0.00 0.00 0.00 58.89 59.11 2dll h TRP 59 Cb 0.19 0.80 0.00 0.00 -0.00 0.00 0.00 29.16 30.16 2dll h TRP 59 CO -0.25 -0.43 -0.10 0.00 -0.00 0.00 0.00 178.44 177.66 2dll h ALA 60 N 0.37 -1.05 -1.14 2.65 0.00 -1.21 -0.23 119.26 118.64 2dll h ALA 60 Ca 0.14 -0.06 0.44 0.00 0.00 0.00 0.00 54.91 55.43 2dll h ALA 60 Cb 0.53 0.14 -0.16 0.00 0.00 0.00 0.00 17.79 18.31 2dll h ALA 60 CO -0.75 -1.03 0.68 1.28 0.00 0.00 0.00 179.25 179.43 2dll n LEU 61 N -2.80 0.28 0.15 0.00 4.77 -0.69 0.37 117.00 119.08 2dll n LEU 61 Ca -0.03 1.50 -0.12 0.00 -0.03 0.00 0.00 56.01 57.33 2dll n LEU 61 Cb 0.11 -0.73 -0.07 0.00 -2.33 0.00 0.00 43.42 40.40 2dll n LEU 61 CO 0.08 -1.66 0.42 0.15 -1.33 0.00 0.00 177.39 175.05 2dll h PHE 62 N 0.00 -0.41 0.60 -1.77 3.57 0.00 -3.37 116.94 115.57 2dll h PHE 62 Ca 0.84 -0.01 -0.03 0.00 3.53 0.00 0.00 57.97 62.30 2dll h PHE 62 Cb 2.46 0.13 0.01 0.00 2.79 0.00 0.00 35.95 41.34 2dll h PHE 62 CO -0.01 -0.07 -0.29 0.87 -2.23 0.00 0.00 178.31 176.58 2dll h LYS 63 N -0.92 -0.78 0.00 1.11 1.79 0.14 -3.47 116.57 114.44 2dll h LYS 63 Ca -0.04 0.05 0.00 0.00 -2.18 0.00 0.00 60.65 58.48 2dll h LYS 63 Cb 0.52 0.18 0.00 0.00 -1.58 0.00 0.00 32.23 31.35 2dll h LYS 63 CO 0.07 -0.52 0.00 0.41 -1.08 0.00 0.00 179.45 178.33 2dll n GLY 64 N -1.02 2.46 2.75 3.86 0.00 0.16 -5.00 105.19 108.40 2dll n GLY 64 Ca -0.10 -1.91 -0.29 0.00 0.00 0.00 0.00 46.02 43.72 2dll n GLY 64 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2dll s LYS 65 N 3.54 0.77 -0.22 1.61 -0.14 -1.26 -4.44 119.74 119.59 2dll s LYS 65 Ca 0.00 -0.78 -0.08 0.00 -1.36 0.00 0.00 55.97 53.75 2dll s LYS 65 Cb 0.00 -2.07 -0.04 0.00 -1.68 0.00 0.00 37.83 34.04 2dll s LYS 65 CO 0.00 -0.81 0.10 0.12 -0.76 0.00 0.00 175.35 174.00 2dll s PHE 66 N 1.71 3.23 -0.67 3.18 5.36 -1.26 -5.03 117.98 124.49 2dll s PHE 66 Ca 0.04 0.01 -0.27 0.00 -0.96 0.00 0.00 56.93 55.74 2dll s PHE 66 Cb -0.17 -2.19 0.02 0.00 -0.34 0.00 0.00 43.02 40.34 2dll s PHE 66 CO -0.17 -0.01 1.33 0.50 -1.46 0.00 0.00 175.22 175.41 2dll s ARG 67 N 0.94 3.23 -0.31 10.12 6.06 -1.26 -4.98 118.95 132.74 2dll s ARG 67 Ca 0.05 0.03 -0.29 0.00 -2.50 0.00 0.00 55.73 53.02 2dll s ARG 67 Cb -0.14 -4.15 0.01 0.00 0.06 0.00 0.00 34.95 30.73 2dll s ARG 67 CO 0.03 -2.07 1.14 -2.00 -2.50 0.00 0.00 175.30 169.90 2dll s GLU 68 N 5.65 4.02 0.00 5.12 2.12 -1.26 -2.06 118.70 132.30 2dll s GLU 68 Ca 0.42 1.12 0.00 0.00 0.36 0.00 0.00 54.97 56.87 2dll s GLU 68 Cb -0.09 -3.78 0.00 0.00 0.26 0.00 0.00 34.13 30.52 2dll s GLU 68 CO 0.19 -0.96 0.00 0.41 -0.54 0.00 0.00 175.26 174.36 2dll n GLY 69 N 4.00 3.10 0.07 -1.50 0.00 -1.26 -4.84 105.19 104.77 2dll n GLY 69 Ca 0.13 -0.93 -0.06 0.00 0.00 0.00 0.00 46.02 45.16 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 0.26 -3.46 -0.61 2.04 -1.99 -3.46 117.51 110.29 2dll h ILE 70 Ca 0.00 -1.26 -0.54 0.00 1.00 0.00 0.00 64.86 64.06 2dll h ILE 70 Cb 0.00 0.55 -0.03 0.00 -0.74 0.00 0.00 36.82 36.60 2dll h ILE 70 CO 0.00 0.09 0.23 -1.81 0.00 0.00 0.00 178.15 176.66 2dll s ASP 71 N -5.87 7.28 -0.02 1.72 1.11 -0.87 -5.00 116.67 115.03 2dll s ASP 71 Ca -0.13 1.54 -0.30 0.00 0.18 0.00 0.00 52.55 53.84 2dll s ASP 71 Cb 0.02 -2.51 -0.06 0.00 1.07 0.00 0.00 42.92 41.43 2dll s ASP 71 CO 0.24 -0.05 1.71 -0.75 1.18 0.00 0.00 175.17 177.49 2dll s LYS 72 N 0.18 4.18 0.67 8.23 2.36 -1.26 -4.71 119.74 129.39 2dll s LYS 72 Ca 0.42 2.28 -0.14 0.00 -2.55 0.00 0.00 55.97 55.98 2dll s LYS 72 Cb -0.21 -3.97 0.01 0.00 -1.05 0.00 0.00 37.83 32.61 2dll s LYS 72 CO 0.25 -0.85 1.11 -1.25 1.55 0.00 0.00 175.35 176.16 2dll s PRO 73 N 3.93 2.73 -0.28 4.03 0.04 -1.26 -5.06 135.00 139.14 2dll s PRO 73 Ca 0.76 1.37 -0.00 0.00 0.04 0.00 0.00 61.00 63.16 2dll s PRO 73 Cb -0.36 -1.94 0.14 0.00 0.04 0.00 0.00 34.50 32.38 2dll s PRO 73 CO 0.32 -1.30 0.34 -0.51 0.04 0.00 0.00 177.00 175.89 2dll s ASP 74 N -2.68 1.01 0.28 6.66 1.11 -1.26 -5.03 116.67 116.77 2dll s ASP 74 Ca 0.66 -0.44 0.02 0.00 0.18 0.00 0.00 52.55 52.97 2dll s ASP 74 Cb -0.20 0.79 0.67 0.00 1.07 0.00 0.00 42.92 45.25 2dll s ASP 74 CO 0.43 -0.36 1.69 -0.65 1.18 0.00 0.00 175.17 177.46 2dll h PRO 75 N 8.22 0.34 -0.62 8.23 0.11 -2.00 -1.65 132.00 144.63 2dll h PRO 75 Ca -0.13 -0.02 0.13 0.00 0.11 0.00 0.00 66.00 66.09 2dll h PRO 75 Cb 1.11 -0.08 -0.11 0.00 0.11 0.00 0.00 31.00 32.03 2dll h PRO 75 CO 0.30 0.23 -0.12 -1.35 -0.21 0.00 0.00 178.00 176.85 2dll h PRO 76 N 0.35 0.02 -0.38 1.05 0.11 -1.98 0.30 132.00 131.48 2dll h PRO 76 Ca 0.53 -0.00 0.02 0.00 0.11 0.00 0.00 66.00 66.66 2dll h PRO 76 Cb 1.00 -0.01 -0.03 0.00 0.11 0.00 0.00 31.00 32.08 2dll h PRO 76 CO -0.54 0.02 0.22 1.15 -0.21 0.00 0.00 178.00 178.63 2dll h THR 77 N 0.02 1.04 0.69 -1.15 2.02 -1.72 0.21 112.91 114.02 2dll h THR 77 Ca 0.30 -0.15 -0.03 0.00 0.77 0.00 0.00 66.41 67.30 2dll h THR 77 Cb 0.48 0.55 0.01 0.00 -1.74 0.00 0.00 68.15 67.44 2dll h THR 77 CO -0.61 0.08 -0.33 -0.50 0.37 0.00 0.00 175.52 174.53 2dll h TRP 78 N 0.45 -0.86 -0.07 3.16 6.55 -1.15 0.12 115.95 124.15 2dll h TRP 78 Ca 0.15 -0.02 0.04 0.00 0.95 0.00 0.00 58.89 60.01 2dll h TRP 78 Cb 0.01 0.28 -0.05 0.00 -0.86 0.00 0.00 29.16 28.54 2dll h TRP 78 CO -0.07 -0.50 -0.28 -0.22 -1.05 0.00 0.00 178.44 176.31 2dll h LYS 79 N -1.14 -0.37 -0.28 0.49 3.64 -0.42 -0.60 116.57 117.88 2dll h LYS 79 Ca -0.09 0.03 0.03 0.00 -1.27 0.00 0.00 60.65 59.34 2dll h LYS 79 Cb 0.74 0.08 -0.03 0.00 -0.41 0.00 0.00 32.23 32.61 2dll h LYS 79 CO 0.16 -0.25 0.08 1.15 -2.27 0.00 0.00 179.45 178.32 2dll h THR 80 N -0.39 0.90 0.03 1.00 2.02 -0.62 0.53 112.91 116.38 2dll h THR 80 Ca 0.08 -0.07 0.03 0.00 0.77 0.00 0.00 66.41 67.22 2dll h THR 80 Cb 0.51 0.69 -0.05 0.00 -1.74 0.00 0.00 68.15 67.55 2dll h THR 80 CO -0.29 0.04 -0.38 0.03 0.37 0.00 0.00 175.52 175.29 2dll h ARG 81 N 0.20 -0.53 0.53 6.66 2.47 -0.26 0.35 114.38 123.80 2dll h ARG 81 Ca 0.13 0.04 -0.03 0.00 -1.26 0.00 0.00 59.98 58.86 2dll h ARG 81 Cb 0.11 0.12 0.01 0.00 -1.65 0.00 0.00 29.97 28.56 2dll h ARG 81 CO -0.15 -0.35 -0.25 1.25 0.56 0.00 0.00 179.97 181.03 2dll h LEU 82 N -0.55 -0.60 -0.96 3.04 5.85 -0.92 -1.95 115.31 119.22 2dll h LEU 82 Ca 0.05 0.02 0.37 0.00 0.84 0.00 0.00 57.88 59.16 2dll h LEU 82 Cb 0.62 0.16 -0.17 0.00 0.37 0.00 0.00 40.66 41.63 2dll h LEU 82 CO -0.28 -0.30 0.41 -1.14 -0.34 0.00 0.00 178.44 176.79 2dll n ARG 83 N -4.62 -0.06 -0.03 1.25 0.63 0.18 0.71 116.66 114.73 2dll n ARG 83 Ca -0.09 1.35 -0.13 0.00 -0.92 0.00 0.00 57.85 58.06 2dll n ARG 83 Cb 0.28 -2.36 -0.09 0.00 0.45 0.00 0.00 32.46 30.74 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 0.57 0.79 -0.72 0.00 0.00 0.11 0.23 119.26 120.23 2dll h ALA 85 Ca 0.01 0.01 0.16 0.00 0.00 0.00 0.00 54.91 55.09 2dll h ALA 85 Cb 0.52 -0.13 -0.12 0.00 0.00 0.00 0.00 17.79 18.06 2dll h ALA 85 CO 0.01 0.03 0.10 1.25 0.00 0.00 0.00 179.25 180.64 2dll h LEU 86 N 0.65 -0.13 0.08 0.00 5.85 -0.71 0.21 115.31 121.26 2dll h LEU 86 Ca 0.26 0.16 -0.16 0.00 0.84 0.00 0.00 57.88 58.98 2dll h LEU 86 Cb 0.12 0.25 0.02 0.00 0.37 0.00 0.00 40.66 41.42 2dll h LEU 86 CO -0.15 -0.10 -0.68 -1.13 -0.34 0.00 0.00 178.44 176.05 2dll h ASN 87 N 0.19 0.46 -0.81 1.25 -1.24 -1.41 -3.31 115.58 110.71 2dll h ASN 87 Ca 0.40 -0.88 0.16 0.00 0.71 0.00 0.00 56.30 56.69 2dll h ASN 87 Cb 0.70 -0.14 -0.10 0.00 0.73 0.00 0.00 38.32 39.50 2dll h ASN 87 CO -0.56 1.29 0.34 0.11 -1.29 0.00 0.00 177.43 177.33 2dll h LYS 88 N -0.32 0.45 -5.85 6.67 1.79 0.21 -3.40 116.57 116.13 2dll h LYS 88 Ca -0.11 -0.03 -0.61 0.00 -2.18 0.00 0.00 60.65 57.72 2dll h LYS 88 Cb 1.47 -0.10 -0.02 0.00 -1.58 0.00 0.00 32.23 32.00 2dll h LYS 88 CO 0.13 0.30 1.49 0.45 -1.08 0.00 0.00 179.45 180.74 2dll n SER 89 N -4.99 2.15 0.25 0.86 2.88 0.66 -4.79 113.62 110.65 2dll n SER 89 Ca 0.17 0.23 0.13 0.00 -1.33 0.00 0.00 58.87 58.06 2dll n SER 89 Cb 0.47 -1.32 0.62 0.00 -0.75 0.00 0.00 64.21 63.23 2dll n SER 89 CO 0.00 0.00 0.00 -0.55 -1.23 0.00 0.00 175.04 173.26 2dll h ASN 90 N 13.80 0.00 -0.01 -3.46 7.08 -1.90 -2.32 115.58 128.77 2dll h ASN 90 Ca -0.27 0.00 0.00 0.00 -3.08 0.00 0.00 56.30 52.95 2dll h ASN 90 Cb 1.30 0.00 0.00 0.00 -2.08 0.00 0.00 38.32 37.54 2dll h ASN 90 CO 1.06 0.14 0.00 -0.90 -2.08 0.00 0.00 177.43 175.65 2dll n ASP 91 N -3.37 0.32 -4.32 6.14 5.75 -1.26 -4.76 116.55 115.04 2dll n ASP 91 Ca -0.00 -2.00 -0.31 0.00 -0.01 0.00 0.00 54.79 52.46 2dll n ASP 91 Cb 0.34 -0.15 -0.16 0.00 -1.03 0.00 0.00 41.12 40.12 2dll n ASP 91 CO 0.00 0.00 0.00 -0.36 -0.11 0.00 0.00 177.20 176.73 2dll s PHE 92 N -1.71 2.41 0.10 2.11 0.40 -0.87 0.22 117.98 120.63 2dll s PHE 92 Ca 0.00 -0.46 0.06 0.00 -0.60 0.00 0.00 56.93 55.93 2dll s PHE 92 Cb 0.00 -1.54 -0.04 0.00 0.51 0.00 0.00 43.02 41.95 2dll s PHE 92 CO 0.00 -0.05 -0.03 -2.00 0.70 0.00 0.00 175.22 173.84 2dll s GLU 93 N -0.52 2.40 -0.44 0.44 2.56 0.12 -4.83 118.70 118.43 2dll s GLU 93 Ca 0.07 -0.90 -0.21 0.00 0.00 0.00 0.00 54.97 53.93 2dll s GLU 93 Cb -0.11 -2.46 0.02 0.00 2.00 0.00 0.00 34.13 33.59 2dll s GLU 93 CO 0.00 0.53 0.64 -2.00 -0.56 0.00 0.00 175.26 173.87 2dll s GLU 94 N -2.28 3.28 -0.16 4.30 2.12 -1.26 -2.08 118.70 122.63 2dll s GLU 94 Ca 0.24 -0.37 0.13 0.00 0.36 0.00 0.00 54.97 55.33 2dll s GLU 94 Cb -0.11 -3.95 0.65 0.00 0.26 0.00 0.00 34.13 30.98 2dll s GLU 94 CO 0.17 -1.00 1.51 1.28 -0.54 0.00 0.00 175.26 176.68 2dll n LEU 95 N 6.24 4.57 -0.50 2.70 4.77 -0.90 -4.57 117.00 129.31 2dll n LEU 95 Ca -0.02 -2.32 0.40 0.00 -0.03 0.00 0.00 56.01 54.04 2dll n LEU 95 Cb 0.48 -0.61 0.61 0.00 -2.33 0.00 0.00 43.42 41.57 2dll n LEU 95 CO 0.53 0.61 1.20 0.55 -1.33 0.00 0.00 177.39 178.95 2dll n VAL 96 N 0.66 0.00 -0.26 4.08 3.14 -1.24 0.11 118.33 124.82 2dll n VAL 96 Ca 0.22 1.20 0.05 0.00 -2.96 0.00 0.00 64.34 62.86 2dll n VAL 96 Cb 0.93 -2.04 0.19 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 0.48 0.00 1.45 5.08 -1.91 -1.36 114.58 118.31 2dll h GLU 97 Ca 0.70 -0.03 -0.06 0.00 -1.00 0.00 0.00 59.36 58.97 2dll h GLU 97 Cb 3.00 -0.11 -0.01 0.00 0.50 0.00 0.00 28.75 32.14 2dll h GLU 97 CO -0.01 0.32 -1.27 0.54 -1.00 0.00 0.00 179.01 177.59 2dll n ARG 98 N -4.96 0.62 -1.63 2.33 1.74 0.30 -4.94 116.66 110.11 2dll n ARG 98 Ca 0.15 0.12 -0.44 0.00 -0.77 0.00 0.00 57.85 56.91 2dll n ARG 98 Cb 0.41 -1.78 -0.01 0.00 -1.02 0.00 0.00 32.46 30.06 2dll n ARG 98 CO 0.00 0.00 0.00 -1.13 -1.52 0.00 0.00 177.63 174.98 2dll n SER 99 N -2.70 1.83 -3.87 0.55 3.41 -0.52 -4.91 113.62 107.42 2dll n SER 99 Ca -0.04 1.19 -0.30 0.00 -0.26 0.00 0.00 58.87 59.46 2dll n SER 99 Cb 0.66 -1.36 -0.15 0.00 -0.26 0.00 0.00 64.21 63.09 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 -1.68 1.19 -0.04 4.33 -1.52 -1.02 -4.94 119.66 115.97 2dll s GLN 100 Ca 0.57 -1.20 0.12 0.00 -1.95 0.00 0.00 55.36 52.90 2dll s GLN 100 Cb -0.65 -2.49 0.34 0.00 -0.22 0.00 0.00 33.01 30.00 2dll s GLN 100 CO 0.61 -0.83 1.28 1.28 -0.25 0.00 0.00 175.29 177.38 2dll n LEU 101 N 4.66 3.10 -0.24 2.90 4.77 -1.26 -1.64 117.00 129.29 2dll n LEU 101 Ca -0.04 -2.24 0.07 0.00 -0.03 0.00 0.00 56.01 53.77 2dll n LEU 101 Cb 0.43 -0.29 0.13 0.00 -2.33 0.00 0.00 43.42 41.35 2dll n LEU 101 CO 0.16 0.71 0.58 0.47 -1.33 0.00 0.00 177.39 177.98 2dll n ASP 102 N 0.22 2.58 -4.75 -1.43 8.00 -1.26 -4.82 116.55 115.08 2dll n ASP 102 Ca 0.13 -2.72 -0.26 0.00 0.71 0.00 0.00 54.79 52.65 2dll n ASP 102 Cb 0.53 -0.33 -0.07 0.00 -0.02 0.00 0.00 41.12 41.23 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 -2.26 2.05 0.16 0.53 -0.00 -1.26 -5.04 121.20 115.38 2dll s ILE 103 Ca 0.25 -1.73 -0.28 0.00 -0.00 0.00 0.00 60.65 58.89 2dll s ILE 103 Cb 0.21 -2.78 -0.04 0.00 -0.00 0.00 0.00 42.46 39.85 2dll s ILE 103 CO 0.04 0.00 1.45 -0.24 -0.00 0.00 0.00 174.94 176.20 2dll n SER 104 N -1.29 -0.96 -4.18 4.36 2.88 -1.26 -3.54 113.62 109.63 2dll n SER 104 Ca -0.04 1.68 -0.38 0.00 -1.33 0.00 0.00 58.87 58.80 2dll n SER 104 Cb 0.65 -0.23 -0.11 0.00 -0.75 0.00 0.00 64.21 63.77 2dll n SER 104 CO 0.00 0.00 0.00 -0.62 -1.23 0.00 0.00 175.04 173.19 2dll s ASP 105 N -5.46 5.40 0.53 -3.46 2.15 -1.26 -5.09 116.67 109.48 2dll s ASP 105 Ca -0.11 -1.81 -0.20 0.00 0.43 0.00 0.00 52.55 50.85 2dll s ASP 105 Cb 0.11 -1.89 -0.06 0.00 -0.30 0.00 0.00 42.92 40.78 2dll s ASP 105 CO 0.59 -0.54 1.13 -2.16 -0.17 0.00 0.00 175.17 174.02 2dll s PRO 106 N 1.26 3.40 -0.12 4.34 0.04 -1.23 -4.90 135.00 137.79 2dll s PRO 106 Ca 0.05 1.63 -0.30 0.00 0.04 0.00 0.00 61.00 62.42 2dll s PRO 106 Cb -0.23 -2.04 0.12 0.00 0.04 0.00 0.00 34.50 32.38 2dll s PRO 106 CO -0.02 -0.82 0.95 1.52 0.04 0.00 0.00 177.00 178.67 2dll s TYR 107 N -1.75 -0.39 -0.20 0.56 1.13 -0.65 -1.75 117.35 114.30 2dll s TYR 107 Ca 0.72 0.60 -0.03 0.00 -1.41 0.00 0.00 57.07 56.94 2dll s TYR 107 Cb -0.24 0.46 -0.01 0.00 -1.10 0.00 0.00 41.96 41.07 2dll s TYR 107 CO 0.28 -0.40 -0.05 0.15 -2.51 0.00 0.00 175.55 173.01 2dll s LYS 108 N -1.50 3.43 0.12 -3.49 1.02 0.16 -2.43 119.74 117.04 2dll s LYS 108 Ca -0.01 -0.61 -0.18 0.00 0.02 0.00 0.00 55.97 55.19 2dll s LYS 108 Cb -0.01 -2.95 -0.07 0.00 -0.52 0.00 0.00 37.83 34.28 2dll s LYS 108 CO 0.00 -0.08 0.59 0.08 -0.92 0.00 0.00 175.35 175.02 2dll s VAL 109 N 1.17 4.74 0.04 3.17 1.01 -1.26 -1.72 120.40 127.55 2dll s VAL 109 Ca 0.02 1.11 -0.03 0.00 0.00 0.00 0.00 61.98 63.08 2dll s VAL 109 Cb -0.14 -3.85 -0.02 0.00 0.00 0.00 0.00 36.38 32.37 2dll s VAL 109 CO -0.01 0.41 0.04 -0.31 0.00 0.00 0.00 175.10 175.22 2dll s TYR 110 N -1.28 0.28 -0.14 5.22 1.51 -1.08 -2.11 117.35 119.76 2dll s TYR 110 Ca 0.34 -0.63 0.02 0.00 -1.01 0.00 0.00 57.07 55.79 2dll s TYR 110 Cb -0.18 -0.21 0.01 0.00 -0.11 0.00 0.00 41.96 41.48 2dll s TYR 110 CO 0.19 -0.32 -0.20 0.50 -1.11 0.00 0.00 175.55 174.61 2dll s ARG 111 N -2.59 2.80 -0.61 -0.62 3.52 -0.88 -3.10 118.95 117.46 2dll s ARG 111 Ca -0.05 -0.77 -0.27 0.00 -0.13 0.00 0.00 55.73 54.51 2dll s ARG 111 Cb -0.01 -2.30 0.00 0.00 -1.56 0.00 0.00 34.95 31.07 2dll s ARG 111 CO -0.05 -0.05 1.58 0.42 -0.81 0.00 0.00 175.30 176.39 2dll s ILE 112 N 0.93 3.58 -0.15 4.11 1.01 -1.08 0.13 121.20 129.73 2dll s ILE 112 Ca -0.05 0.41 -0.29 0.00 0.00 0.00 0.00 60.65 60.72 2dll s ILE 112 Cb -0.15 -4.30 -0.01 0.00 0.01 0.00 0.00 42.46 38.01 2dll s ILE 112 CO -0.03 -1.18 1.11 -0.69 0.00 0.00 0.00 174.94 174.15 2dll s VAL 113 N 7.23 4.54 0.26 2.92 1.01 0.59 -4.96 120.40 131.99 2dll s VAL 113 Ca 0.56 1.84 -0.04 0.00 0.00 0.00 0.00 61.98 64.34 2dll s VAL 113 Cb -0.12 -4.19 0.06 0.00 0.00 0.00 0.00 36.38 32.14 2dll s VAL 113 CO 0.21 -0.09 0.23 -0.81 0.00 0.00 0.00 175.10 174.65 2dll n PRO 114 N 5.81 -1.47 -0.10 2.72 -0.04 -1.26 -4.53 135.00 136.13 2dll n PRO 114 Ca 0.11 -0.37 -0.24 0.00 -0.04 0.00 0.00 63.50 62.97 2dll n PRO 114 Cb 0.46 -0.35 -0.11 0.00 -0.04 0.00 0.00 33.50 33.47 2dll n PRO 114 CO 0.00 0.00 0.00 0.39 -0.04 0.00 0.00 175.50 175.85 2dll n GLU 115 N -2.22 0.59 -0.09 0.54 1.02 -1.26 -4.17 120.64 115.04 2dll n GLU 115 Ca 0.03 0.46 0.01 0.00 -0.02 0.00 0.00 57.16 57.64 2dll n GLU 115 Cb 0.12 -1.67 0.05 0.00 -0.02 0.00 0.00 31.44 29.92 2dll n GLU 115 CO 0.00 0.00 0.00 0.45 1.18 0.00 0.00 177.13 178.76 2dll n SER 116 N -4.27 1.34 -4.89 1.62 2.88 -1.26 -4.87 113.62 104.17 2dll n SER 116 Ca -0.38 -2.09 -0.30 0.00 -1.33 0.00 0.00 58.87 54.77 2dll n SER 116 Cb 0.78 -0.43 -0.04 0.00 -0.75 0.00 0.00 64.21 63.77 2dll n SER 116 CO 0.00 0.00 0.00 -0.83 -1.23 0.00 0.00 175.04 172.98 2dll s GLY 117 N -0.28 2.00 -0.52 0.46 0.00 -1.26 -5.01 107.32 102.71 2dll s GLY 117 Ca 0.06 -0.38 -0.27 0.00 0.00 0.00 0.00 44.72 44.13 2dll s GLY 117 CO 0.02 -0.24 1.80 2.56 0.00 0.00 0.00 173.10 177.24 2dll s PRO 118 N -3.41 2.90 0.27 2.90 0.04 -1.26 -4.87 135.00 131.56 2dll s PRO 118 Ca 0.47 0.85 -0.01 0.00 0.04 0.00 0.00 61.00 62.35 2dll s PRO 118 Cb -0.11 -4.31 0.59 0.00 0.04 0.00 0.00 34.50 30.72 2dll s PRO 118 CO 0.28 -2.40 1.68 1.03 0.04 0.00 0.00 177.00 177.63 2dll h SER 119 N 14.02 0.11 -1.97 6.66 0.87 -1.95 -3.41 113.55 127.89 2dll h SER 119 Ca -0.28 0.16 -0.45 0.00 -1.23 0.00 0.00 61.79 59.99 2dll h SER 119 Cb 1.16 0.19 -0.00 0.00 -0.44 0.00 0.00 62.40 63.30 2dll h SER 119 CO 1.16 -0.04 -0.39 -0.94 -0.53 0.00 0.00 176.83 176.09 2dll s SER 120 N -5.20 6.08 0.00 6.23 1.04 -1.26 -5.23 113.70 115.37 2dll s SER 120 Ca -0.12 -0.09 0.00 0.00 0.48 0.00 0.00 55.95 56.22 2dll s SER 120 Cb 0.23 -1.49 0.00 0.00 0.10 0.00 0.00 66.02 64.86 2dll s SER 120 CO 0.77 -0.27 0.00 0.61 0.98 0.00 0.00 173.24 175.33