#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2dll n SER 2 N 0.00 -0.40 -4.61 1.61 2.88 -1.26 -3.87 113.62 107.98 2dll n SER 2 Ca 0.00 1.53 -0.40 0.00 -1.33 0.00 0.00 58.87 58.67 2dll n SER 2 Cb 0.00 -0.43 -0.07 0.00 -0.75 0.00 0.00 64.21 62.96 2dll n SER 2 CO 0.00 0.00 0.00 -0.44 -1.23 0.00 0.00 175.04 173.37 2dll s SER 3 N -5.26 6.46 0.08 -3.46 0.01 -1.26 -5.06 113.70 105.22 2dll s SER 3 Ca -0.13 0.48 0.06 0.00 1.31 0.00 0.00 55.95 57.67 2dll s SER 3 Cb 0.22 -2.30 -0.03 0.00 0.21 0.00 0.00 66.02 64.12 2dll s SER 3 CO 0.67 -0.37 -0.17 -0.83 0.41 0.00 0.00 173.24 172.95 2dll s GLY 4 N 1.58 1.00 -0.02 3.44 0.00 -1.25 -5.09 107.32 106.98 2dll s GLY 4 Ca 0.23 -1.07 -0.30 0.00 0.00 0.00 0.00 44.72 43.58 2dll s GLY 4 CO 0.10 -1.08 1.98 -0.56 0.00 0.00 0.00 173.10 173.54 2dll s SER 5 N -1.72 6.30 1.07 1.64 0.01 -1.26 -4.95 113.70 114.80 2dll s SER 5 Ca 0.02 2.49 -0.14 0.00 1.31 0.00 0.00 55.95 59.63 2dll s SER 5 Cb -0.10 -2.53 0.17 0.00 0.21 0.00 0.00 66.02 63.77 2dll s SER 5 CO 0.03 -1.20 0.65 -1.20 0.41 0.00 0.00 173.24 171.92 2dll n SER 6 N 8.22 -1.60 -3.03 2.44 7.64 -1.26 -4.97 113.62 121.06 2dll n SER 6 Ca 0.21 0.05 -0.15 0.00 1.01 0.00 0.00 58.87 59.99 2dll n SER 6 Cb 0.42 -1.21 0.01 0.00 -1.01 0.00 0.00 64.21 62.42 2dll n SER 6 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 2dll n GLY 7 N 1.25 2.64 3.19 0.23 0.00 -1.26 -4.51 105.19 106.72 2dll n GLY 7 Ca 0.05 -1.18 -0.33 0.00 0.00 0.00 0.00 46.02 44.55 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 -1.70 3.12 -0.08 1.61 -0.14 -1.26 -5.00 119.74 116.28 2dll s LYS 8 Ca 0.34 -0.77 -0.19 0.00 -1.36 0.00 0.00 55.97 53.99 2dll s LYS 8 Cb 0.34 -2.66 -0.29 0.00 -1.68 0.00 0.00 37.83 33.54 2dll s LYS 8 CO -0.07 -0.15 0.71 1.25 -0.76 0.00 0.00 175.35 176.33 2dll h LEU 9 N 7.82 0.41 -0.06 3.17 5.85 -1.98 -2.96 115.31 127.55 2dll h LEU 9 Ca -0.42 -0.89 0.01 0.00 0.84 0.00 0.00 57.88 57.42 2dll h LEU 9 Cb 1.16 -0.13 -0.01 0.00 0.37 0.00 0.00 40.66 42.04 2dll h LEU 9 CO 0.61 1.50 -0.07 -0.09 -0.34 0.00 0.00 178.44 180.05 2dll h ARG 10 N -0.37 -0.04 0.88 1.25 2.43 -1.99 0.20 114.38 116.73 2dll h ARG 10 Ca -0.22 0.00 -0.04 0.00 -0.81 0.00 0.00 59.98 58.91 2dll h ARG 10 Cb 1.68 0.01 0.01 0.00 -0.42 0.00 0.00 29.97 31.25 2dll h ARG 10 CO 0.09 -0.03 -0.42 0.37 -1.51 0.00 0.00 179.97 178.47 2dll h GLN 11 N -0.05 -1.13 -0.84 0.20 5.75 -2.00 -1.93 115.11 115.12 2dll h GLN 11 Ca 0.01 0.08 0.09 0.00 -0.15 0.00 0.00 58.65 58.68 2dll h GLN 11 Cb 0.07 0.26 -0.11 0.00 1.07 0.00 0.00 27.48 28.77 2dll h GLN 11 CO -0.08 -0.75 -0.44 1.87 -2.65 0.00 0.00 178.83 176.77 2dll n TRP 12 N -5.58 -0.25 0.40 3.99 -0.00 -1.12 -0.38 117.44 114.49 2dll n TRP 12 Ca -0.15 1.04 -0.19 0.00 -0.00 0.00 0.00 57.50 58.19 2dll n TRP 12 Cb 0.47 -0.64 -0.10 0.00 -0.00 0.00 0.00 31.31 31.04 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 -1.25 -0.98 5.87 5.85 -0.57 -2.44 115.31 121.79 2dll h LEU 13 Ca 0.18 0.08 0.34 0.00 0.84 0.00 0.00 57.88 59.31 2dll h LEU 13 Cb 0.39 0.37 -0.16 0.00 0.37 0.00 0.00 40.66 41.63 2dll h LEU 13 CO -0.80 -0.72 0.45 0.40 -0.34 0.00 0.00 178.44 177.43 2dll h ILE 14 N -1.14 0.18 -0.66 4.05 2.04 -0.18 1.13 117.51 122.92 2dll h ILE 14 Ca -0.09 -0.06 -0.03 0.00 1.00 0.00 0.00 64.86 65.68 2dll h ILE 14 Cb 0.93 -0.01 -0.03 0.00 -0.74 0.00 0.00 36.82 36.97 2dll h ILE 14 CO 0.07 0.03 0.31 -0.78 0.00 0.00 0.00 178.15 177.77 2dll h ASP 15 N 0.17 0.85 -0.32 1.72 3.58 -0.25 -0.69 116.42 121.48 2dll h ASP 15 Ca 0.73 -0.09 -0.13 0.00 0.42 0.00 0.00 57.03 57.96 2dll h ASP 15 Cb 1.73 -0.22 -0.01 0.00 1.72 0.00 0.00 39.33 42.55 2dll h ASP 15 CO -0.70 0.73 -0.26 1.56 -2.88 0.00 0.00 179.24 177.70 2dll h GLN 16 N 0.94 0.82 -0.00 0.28 1.08 0.16 -2.64 115.11 115.75 2dll h GLN 16 Ca 0.23 -0.35 -0.00 0.00 -1.45 0.00 0.00 58.65 57.07 2dll h GLN 16 Cb 0.11 -0.03 -0.00 0.00 -0.05 0.00 0.00 27.48 27.52 2dll h GLN 16 CO -0.03 0.99 -0.00 0.82 -0.95 0.00 0.00 178.83 179.66 2dll h ILE 17 N 0.71 1.37 -0.55 2.54 2.04 -0.85 -2.38 117.51 120.38 2dll h ILE 17 Ca 0.09 -1.08 0.10 0.00 1.00 0.00 0.00 64.86 64.98 2dll h ILE 17 Cb 0.79 2.10 -0.08 0.00 -0.74 0.00 0.00 36.82 38.88 2dll h ILE 17 CO 0.07 0.28 0.07 -0.78 0.00 0.00 0.00 178.15 177.79 2dll h ASP 18 N -0.45 -0.08 -0.31 1.72 1.82 -1.15 -0.12 116.42 117.83 2dll h ASP 18 Ca 0.00 0.11 -0.04 0.00 -0.39 0.00 0.00 57.03 56.71 2dll h ASP 18 Cb 0.46 0.17 -0.02 0.00 0.68 0.00 0.00 39.33 40.62 2dll h ASP 18 CO 0.00 -0.02 0.07 0.77 -1.61 0.00 0.00 179.24 178.45 2dll h SER 19 N 0.20 0.55 -2.10 2.28 4.64 -1.49 -3.46 113.55 114.16 2dll h SER 19 Ca 0.28 -0.09 -0.32 0.00 -0.47 0.00 0.00 61.79 61.19 2dll h SER 19 Cb 0.42 -0.14 -0.03 0.00 -0.31 0.00 0.00 62.40 62.34 2dll h SER 19 CO -0.40 0.57 -0.40 0.61 -0.87 0.00 0.00 176.83 176.34 2dll n GLY 20 N -0.96 -0.06 0.22 -0.77 0.00 -0.06 -4.90 105.19 98.66 2dll n GLY 20 Ca 0.02 -0.21 -0.13 0.00 0.00 0.00 0.00 46.02 45.69 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 0.68 -6.29 1.61 1.57 -1.85 -3.44 116.57 108.85 2dll h LYS 21 Ca -0.38 -0.50 -0.56 0.00 -1.87 0.00 0.00 60.65 57.34 2dll h LYS 21 Cb 1.25 0.09 -0.04 0.00 0.08 0.00 0.00 32.23 33.61 2dll h LYS 21 CO 0.46 1.12 -0.02 0.71 -0.57 0.00 0.00 179.45 181.15 2dll s TYR 22 N -3.86 3.77 0.44 -1.35 1.51 -1.26 -5.06 117.35 111.54 2dll s TYR 22 Ca -0.09 1.27 -0.24 0.00 -1.01 0.00 0.00 57.07 57.01 2dll s TYR 22 Cb 0.10 -2.50 -0.08 0.00 -0.11 0.00 0.00 41.96 39.37 2dll s TYR 22 CO 0.87 0.54 1.17 -1.25 -1.11 0.00 0.00 175.55 175.78 2dll s PRO 23 N -1.32 3.85 0.00 -1.71 0.04 -1.26 -3.42 135.00 131.18 2dll s PRO 23 Ca 0.32 1.81 0.00 0.00 0.04 0.00 0.00 61.00 63.17 2dll s PRO 23 Cb -0.19 -2.50 0.00 0.00 0.04 0.00 0.00 34.50 31.85 2dll s PRO 23 CO 0.20 -0.48 0.00 0.41 0.04 0.00 0.00 177.00 177.17 2dll n GLY 24 N 0.51 1.88 3.56 0.56 0.00 -1.26 -4.71 105.19 105.73 2dll n GLY 24 Ca 0.06 -0.33 -0.39 0.00 0.00 0.00 0.00 46.02 45.36 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 3.36 -0.02 0.99 2.96 -1.22 -4.58 118.68 120.17 2dll s LEU 25 Ca 0.00 0.76 -0.08 0.00 -0.22 0.00 0.00 54.13 54.59 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 -2.35 0.17 0.68 -1.32 0.00 0.00 176.35 173.53 2dll s VAL 26 N 9.34 0.05 -0.41 1.68 -7.23 -1.22 -4.73 120.40 117.88 2dll s VAL 26 Ca 0.78 -0.43 -0.29 0.00 -1.81 0.00 0.00 61.98 60.23 2dll s VAL 26 Cb -0.16 -0.39 0.02 0.00 0.56 0.00 0.00 36.38 36.41 2dll s VAL 26 CO 0.25 -0.23 1.21 0.26 -0.31 0.00 0.00 175.10 176.27 2dll s TRP 27 N -0.85 2.77 0.54 2.82 0.52 -1.26 -1.77 118.94 121.72 2dll s TRP 27 Ca -0.09 0.82 0.22 0.00 0.02 0.00 0.00 56.10 57.06 2dll s TRP 27 Cb -0.05 -4.20 1.44 0.00 -1.15 0.00 0.00 33.47 29.51 2dll s TRP 27 CO 0.01 -1.40 2.12 0.93 0.02 0.00 0.00 176.95 178.64 2dll h GLU 28 N 9.34 0.00 -5.81 4.98 5.08 0.04 -3.43 114.58 124.79 2dll h GLU 28 Ca -0.24 0.00 -0.55 0.00 -1.00 0.00 0.00 59.36 57.57 2dll h GLU 28 Cb 1.07 0.00 -0.14 0.00 0.50 0.00 0.00 28.75 30.19 2dll h GLU 28 CO 1.09 0.00 -0.70 0.54 -1.00 0.00 0.00 179.01 178.93 2dll s ASN 29 N -6.53 3.22 0.23 1.42 2.20 -1.20 -5.04 114.94 109.25 2dll s ASN 29 Ca -0.05 -1.13 0.04 0.00 -0.94 0.00 0.00 52.86 50.78 2dll s ASN 29 Cb 0.17 -0.25 0.24 0.00 -2.00 0.00 0.00 41.25 39.41 2dll s ASN 29 CO 0.65 -0.19 1.55 -0.33 -2.94 0.00 0.00 177.10 175.84 2dll h GLU 30 N 2.24 0.23 0.00 3.55 4.39 -1.93 -2.90 114.58 120.16 2dll h GLU 30 Ca -0.40 -0.16 0.00 0.00 0.34 0.00 0.00 59.36 59.14 2dll h GLU 30 Cb 1.24 0.03 0.00 0.00 -0.10 0.00 0.00 28.75 29.92 2dll h GLU 30 CO 0.66 0.77 0.12 -0.85 -1.16 0.00 0.00 179.01 178.55 2dll n GLU 31 N -3.86 0.08 -2.64 2.33 0.28 -1.26 -4.78 120.64 110.78 2dll n GLU 31 Ca -0.02 0.55 -0.19 0.00 -0.16 0.00 0.00 57.16 57.33 2dll n GLU 31 Cb 0.62 -1.88 0.01 0.00 1.43 0.00 0.00 31.44 31.62 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 -1.93 -2.92 -0.08 3.44 4.76 -1.09 -4.88 118.16 115.45 2dll n LYS 32 Ca -0.01 0.84 -0.10 0.00 -2.87 0.00 0.00 58.31 56.17 2dll n LYS 32 Cb 0.14 -5.40 -0.11 0.00 -1.84 0.00 0.00 35.03 27.82 2dll n LYS 32 CO 0.00 0.00 0.00 -1.13 -1.37 0.00 0.00 177.40 174.90 2dll n SER 33 N -1.73 1.80 -4.48 4.39 3.41 -1.26 -4.96 113.62 110.78 2dll n SER 33 Ca -0.16 -0.04 -0.33 0.00 -0.26 0.00 0.00 58.87 58.08 2dll n SER 33 Cb 0.63 0.39 -0.13 0.00 -0.26 0.00 0.00 64.21 64.84 2dll n SER 33 CO 0.00 0.00 0.00 -0.63 -0.16 0.00 0.00 175.04 174.25 2dll s ILE 34 N -2.37 3.50 0.23 -1.33 1.01 -1.26 -2.24 121.20 118.74 2dll s ILE 34 Ca -0.15 -0.52 -0.04 0.00 0.00 0.00 0.00 60.65 59.94 2dll s ILE 34 Cb 0.05 -2.47 -0.03 0.00 0.01 0.00 0.00 42.46 40.03 2dll s ILE 34 CO 0.54 0.54 0.25 0.72 0.00 0.00 0.00 174.94 177.00 2dll s PHE 35 N -0.09 0.97 -0.05 3.97 -0.71 -1.16 0.77 117.98 121.68 2dll s PHE 35 Ca 0.00 -1.21 0.05 0.00 -1.04 0.00 0.00 56.93 54.73 2dll s PHE 35 Cb -0.13 -0.34 -0.01 0.00 -1.21 0.00 0.00 43.02 41.33 2dll s PHE 35 CO 0.03 -0.78 -0.21 -0.98 -1.34 0.00 0.00 175.22 171.94 2dll s ARG 36 N -4.02 2.14 -0.11 1.99 1.70 -0.73 -2.60 118.95 117.32 2dll s ARG 36 Ca 0.34 -0.76 0.01 0.00 -0.47 0.00 0.00 55.73 54.85 2dll s ARG 36 Cb 0.04 -1.85 -0.02 0.00 -0.57 0.00 0.00 34.95 32.56 2dll s ARG 36 CO 0.13 0.33 -0.14 -1.50 -1.08 0.00 0.00 175.30 173.03 2dll s ILE 37 N -0.10 3.01 -0.38 4.99 2.07 -0.62 -3.41 121.20 126.75 2dll s ILE 37 Ca -0.03 -0.69 -0.28 0.00 -1.41 0.00 0.00 60.65 58.24 2dll s ILE 37 Cb -0.12 -2.24 -0.01 0.00 0.13 0.00 0.00 42.46 40.21 2dll s ILE 37 CO 0.03 0.54 1.72 -2.16 -1.91 0.00 0.00 174.94 173.16 2dll s PRO 38 N 0.12 3.30 -0.07 3.50 0.04 -1.26 0.21 135.00 140.84 2dll s PRO 38 Ca -0.07 1.22 0.16 0.00 0.04 0.00 0.00 61.00 62.35 2dll s PRO 38 Cb -0.15 -4.18 0.58 0.00 0.04 0.00 0.00 34.50 30.79 2dll s PRO 38 CO 0.05 -1.90 1.47 1.87 0.04 0.00 0.00 177.00 178.53 2dll n TRP 39 N 10.27 1.13 -1.82 0.56 -0.00 -1.10 -4.94 117.44 121.54 2dll n TRP 39 Ca 0.21 -0.47 -0.32 0.00 -0.00 0.00 0.00 57.50 56.92 2dll n TRP 39 Cb 0.48 -0.15 0.03 0.00 -0.00 0.00 0.00 31.31 31.66 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 -1.63 3.07 0.69 5.87 2.20 -1.25 -4.94 119.74 123.75 2dll s LYS 40 Ca 0.42 1.16 0.01 0.00 -0.36 0.00 0.00 55.97 57.20 2dll s LYS 40 Cb 0.26 -2.00 0.12 0.00 -1.51 0.00 0.00 37.83 34.70 2dll s LYS 40 CO 0.22 -1.01 0.96 -3.38 -0.36 0.00 0.00 175.35 171.78 2dll s HIS 41 N -2.64 1.53 0.02 4.03 -3.43 -1.26 -5.05 115.29 108.50 2dll s HIS 41 Ca 0.62 -0.37 -0.15 0.00 -0.80 0.00 0.00 55.06 54.36 2dll s HIS 41 Cb -0.16 -2.84 -0.08 0.00 -1.43 0.00 0.00 32.58 28.07 2dll s HIS 41 CO 0.44 -1.61 1.22 0.00 -2.00 0.00 0.00 174.74 172.79 2dll h ALA 42 N -0.40 -1.10 -0.22 -1.38 0.00 -2.03 -3.44 119.26 110.69 2dll h ALA 42 Ca -0.35 -0.11 0.00 0.00 0.00 0.00 0.00 54.91 54.45 2dll h ALA 42 Cb 1.27 0.25 0.00 0.00 0.00 0.00 0.00 17.79 19.31 2dll h ALA 42 CO 0.40 -1.07 0.00 0.41 0.00 0.00 0.00 179.25 178.99 2dll n GLY 43 N -1.26 1.00 3.68 0.00 0.00 -1.26 -4.83 105.19 102.52 2dll n GLY 43 Ca -0.06 0.18 -0.30 0.00 0.00 0.00 0.00 46.02 45.84 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 0.99 -0.11 1.61 3.01 -1.26 -5.00 119.74 118.97 2dll s LYS 44 Ca 0.00 1.08 0.02 0.00 -1.01 0.00 0.00 55.97 56.06 2dll s LYS 44 Cb 0.00 -1.76 -0.09 0.00 -1.01 0.00 0.00 37.83 34.98 2dll s LYS 44 CO 0.00 -2.50 -0.08 0.94 0.51 0.00 0.00 175.35 174.22 2dll n GLN 45 N -4.09 0.74 0.24 1.68 0.00 -1.26 -4.55 117.38 110.13 2dll n GLN 45 Ca 0.08 0.05 0.11 0.00 -0.00 0.00 0.00 57.00 57.24 2dll n GLN 45 Cb 0.54 -1.24 0.70 0.00 0.00 0.00 0.00 30.24 30.24 2dll n GLN 45 CO 0.00 0.00 0.00 -0.44 0.00 0.00 0.00 177.06 176.62 2dll h ASP 46 N 0.00 0.00 -2.19 1.69 3.32 -1.99 -3.43 116.42 113.82 2dll h ASP 46 Ca -0.26 0.00 -0.27 0.00 0.02 0.00 0.00 57.03 56.52 2dll h ASP 46 Cb 1.45 0.00 0.15 0.00 0.22 0.00 0.00 39.33 41.15 2dll h ASP 46 CO -0.03 0.00 -0.31 0.00 -1.72 0.00 0.00 179.24 177.18 2dll n TYR 47 N -4.39 -2.54 -3.94 4.55 4.11 -1.26 -5.00 117.16 108.69 2dll n TYR 47 Ca -0.02 -0.15 -0.29 0.00 -0.00 0.00 0.00 57.90 57.44 2dll n TYR 47 Cb 0.14 -1.39 -0.16 0.00 -0.00 0.00 0.00 39.34 37.92 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 -2.18 2.88 0.10 9.48 0.01 -1.26 -5.04 114.94 118.93 2dll s ASN 48 Ca 0.44 -0.65 -0.34 0.00 -0.71 0.00 0.00 52.86 51.59 2dll s ASN 48 Cb -0.08 -1.04 -0.15 0.00 0.41 0.00 0.00 41.25 40.39 2dll s ASN 48 CO 0.40 -0.14 1.57 0.03 -1.51 0.00 0.00 177.10 177.45 2dll h ARG 49 N 8.07 -0.84 -1.14 -0.60 3.08 -1.94 -1.45 114.38 119.56 2dll h ARG 49 Ca -0.28 0.06 0.37 0.00 0.07 0.00 0.00 59.98 60.20 2dll h ARG 49 Cb 1.11 0.19 -0.09 0.00 0.08 0.00 0.00 29.97 31.26 2dll h ARG 49 CO 0.44 -0.56 0.76 -0.85 -1.07 0.00 0.00 179.97 178.69 2dll n GLU 50 N -5.53 -0.02 0.02 0.04 0.28 -1.26 -0.30 120.64 113.87 2dll n GLU 50 Ca -0.10 0.90 -0.01 0.00 -0.16 0.00 0.00 57.16 57.79 2dll n GLU 50 Cb 0.43 -1.84 -0.01 0.00 1.43 0.00 0.00 31.44 31.45 2dll n GLU 50 CO 0.00 0.00 0.00 1.49 -0.16 0.00 0.00 177.13 178.46 2dll h GLU 51 N 0.00 -0.07 -1.00 3.44 4.57 -1.68 0.43 114.58 120.26 2dll h GLU 51 Ca 0.67 0.00 0.30 0.00 -1.18 0.00 0.00 59.36 59.15 2dll h GLU 51 Cb 2.29 0.02 -0.14 0.00 -0.16 0.00 0.00 28.75 30.76 2dll h GLU 51 CO -0.26 -0.05 0.58 -0.44 -1.18 0.00 0.00 179.01 177.66 2dll h ASP 52 N -0.22 0.57 1.43 1.04 5.19 -0.59 0.89 116.42 124.73 2dll h ASP 52 Ca -0.01 0.17 -0.01 0.00 -0.62 0.00 0.00 57.03 56.56 2dll h ASP 52 Cb 0.05 0.10 -0.00 0.00 0.18 0.00 0.00 39.33 39.67 2dll h ASP 52 CO 0.01 -0.06 -0.58 0.00 -3.12 0.00 0.00 179.24 175.50 2dll h ALA 53 N 1.81 0.73 -0.62 3.45 0.00 -0.77 -3.37 119.26 120.49 2dll h ALA 53 Ca 0.71 -0.06 0.26 0.00 0.00 0.00 0.00 54.91 55.82 2dll h ALA 53 Cb 1.52 0.01 -0.11 0.00 0.00 0.00 0.00 17.79 19.21 2dll h ALA 53 CO -0.56 0.07 0.33 0.00 0.00 0.00 0.00 179.25 179.09 2dll n ALA 54 N -2.16 0.64 -0.01 0.00 0.00 0.31 0.58 120.51 119.87 2dll n ALA 54 Ca 0.01 0.63 -0.05 0.00 0.00 0.00 0.00 53.44 54.04 2dll n ALA 54 Cb 0.56 -0.63 -0.04 0.00 0.00 0.00 0.00 19.45 19.35 2dll n ALA 54 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 177.50 178.75 2dll h LEU 55 N 0.00 -0.09 0.17 0.00 5.85 -1.72 -3.13 115.31 116.40 2dll h LEU 55 Ca 0.53 -0.20 0.01 0.00 0.84 0.00 0.00 57.88 59.06 2dll h LEU 55 Cb 1.39 0.02 -0.04 0.00 0.37 0.00 0.00 40.66 42.40 2dll h LEU 55 CO -0.48 0.49 -0.37 -0.26 -0.34 0.00 0.00 178.44 177.48 2dll h PHE 56 N -1.01 -1.03 -0.51 1.25 0.04 -0.27 -2.86 116.94 112.56 2dll h PHE 56 Ca -0.01 0.02 0.06 0.00 2.80 0.00 0.00 57.97 60.84 2dll h PHE 56 Cb 0.28 0.43 -0.09 0.00 2.20 0.00 0.00 35.95 38.77 2dll h PHE 56 CO 0.05 -0.49 -0.54 -0.22 -0.60 0.00 0.00 178.31 176.52 2dll h LYS 57 N -0.64 -0.31 -1.00 1.51 3.64 -0.04 0.18 116.57 119.91 2dll h LYS 57 Ca 0.02 0.02 0.38 0.00 -1.27 0.00 0.00 60.65 59.80 2dll h LYS 57 Cb 0.65 0.07 -0.18 0.00 -0.41 0.00 0.00 32.23 32.36 2dll h LYS 57 CO -0.19 -0.21 0.46 0.00 -2.27 0.00 0.00 179.45 177.24 2dll h ALA 58 N 0.15 1.97 -0.47 5.00 0.00 -1.44 0.55 119.26 125.02 2dll h ALA 58 Ca 0.10 0.27 0.09 0.00 0.00 0.00 0.00 54.91 55.37 2dll h ALA 58 Cb 0.57 0.35 -0.08 0.00 0.00 0.00 0.00 17.79 18.63 2dll h ALA 58 CO -0.65 -0.84 -0.01 2.35 0.00 0.00 0.00 179.25 180.10 2dll h TRP 59 N 0.05 -0.04 0.77 0.00 -0.00 -0.47 0.19 115.95 116.44 2dll h TRP 59 Ca 0.79 0.04 -0.04 0.00 -0.00 0.00 0.00 58.89 59.68 2dll h TRP 59 Cb 2.00 0.09 0.01 0.00 -0.00 0.00 0.00 29.16 31.26 2dll h TRP 59 CO -0.09 -0.11 -0.37 0.00 -0.00 0.00 0.00 178.44 177.87 2dll h ALA 60 N 1.42 -1.03 -1.02 2.65 0.00 0.12 0.25 119.26 121.65 2dll h ALA 60 Ca 0.23 -0.23 0.26 0.00 0.00 0.00 0.00 54.91 55.18 2dll h ALA 60 Cb 0.35 0.40 -0.12 0.00 0.00 0.00 0.00 17.79 18.42 2dll h ALA 60 CO -0.40 -0.97 0.62 -0.07 0.00 0.00 0.00 179.25 178.44 2dll h LEU 61 N -1.26 0.59 0.23 0.00 3.38 -1.25 0.67 115.31 117.68 2dll h LEU 61 Ca -0.11 0.12 -0.01 0.00 0.09 0.00 0.00 57.88 57.98 2dll h LEU 61 Cb 0.80 0.03 0.00 0.00 0.09 0.00 0.00 40.66 41.58 2dll h LEU 61 CO 0.17 0.08 -0.11 0.15 0.09 0.00 0.00 178.44 178.82 2dll h PHE 62 N 0.50 -0.29 0.58 1.13 3.04 -0.54 -3.38 116.94 117.98 2dll h PHE 62 Ca 0.64 -0.01 -0.02 0.00 3.98 0.00 0.00 57.97 62.56 2dll h PHE 62 Cb 1.37 0.10 -0.01 0.00 2.56 0.00 0.00 35.95 39.97 2dll h PHE 62 CO -0.01 0.00 -0.41 0.87 -2.02 0.00 0.00 178.31 176.75 2dll h LYS 63 N -1.00 -0.90 0.00 1.11 1.79 0.26 -3.43 116.57 114.40 2dll h LYS 63 Ca -0.03 0.06 0.00 0.00 -2.18 0.00 0.00 60.65 58.50 2dll h LYS 63 Cb 0.43 0.20 0.00 0.00 -1.58 0.00 0.00 32.23 31.28 2dll h LYS 63 CO 0.05 -0.60 0.00 0.41 -1.08 0.00 0.00 179.45 178.23 2dll n GLY 64 N -1.49 3.29 2.85 3.86 0.00 0.23 -4.88 105.19 109.03 2dll n GLY 64 Ca -0.11 -1.96 -0.30 0.00 0.00 0.00 0.00 46.02 43.65 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 2.89 1.10 0.08 1.61 3.01 -1.26 -4.46 119.74 122.70 2dll s LYS 65 Ca 0.00 -1.20 0.05 0.00 -1.01 0.00 0.00 55.97 53.81 2dll s LYS 65 Cb 0.00 -2.43 -0.03 0.00 -1.01 0.00 0.00 37.83 34.36 2dll s LYS 65 CO 0.00 -0.86 -0.14 0.12 0.51 0.00 0.00 175.35 174.99 2dll s PHE 66 N 1.41 1.20 -0.10 3.18 2.19 -1.26 -5.05 117.98 119.55 2dll s PHE 66 Ca 0.06 -0.48 0.03 0.00 0.33 0.00 0.00 56.93 56.86 2dll s PHE 66 Cb -0.18 -0.67 -0.01 0.00 -1.31 0.00 0.00 43.02 40.85 2dll s PHE 66 CO -0.15 0.05 -0.20 1.03 1.83 0.00 0.00 175.22 177.78 2dll s ARG 67 N -1.89 3.08 0.40 10.12 1.81 -1.26 -4.85 118.95 126.35 2dll s ARG 67 Ca -0.01 -0.81 0.09 0.00 -1.72 0.00 0.00 55.73 53.29 2dll s ARG 67 Cb -0.09 -2.40 0.87 0.00 -0.45 0.00 0.00 34.95 32.88 2dll s ARG 67 CO 0.02 0.24 1.98 1.49 -0.68 0.00 0.00 175.30 178.35 2dll h GLU 68 N 6.56 0.57 0.00 3.54 4.81 -1.98 -2.21 114.58 125.88 2dll h GLU 68 Ca -0.24 -0.03 0.00 0.00 -0.13 0.00 0.00 59.36 58.95 2dll h GLU 68 Cb 1.22 -0.13 0.00 0.00 0.63 0.00 0.00 28.75 30.47 2dll h GLU 68 CO 0.50 0.38 0.00 0.41 -0.73 0.00 0.00 179.01 179.57 2dll n GLY 69 N -1.48 -0.10 0.27 1.92 0.00 -1.26 -4.41 105.19 100.13 2dll n GLY 69 Ca 0.09 0.00 0.04 0.00 0.00 0.00 0.00 46.02 46.15 2dll n GLY 69 CO 0.00 0.00 0.00 1.39 0.00 0.00 0.00 173.32 174.71 2dll n ILE 70 N -1.66 -0.32 -2.74 -0.61 -0.00 -1.26 -4.39 119.36 108.37 2dll n ILE 70 Ca 0.00 1.72 -0.21 0.00 -0.00 0.00 0.00 62.75 64.26 2dll n ILE 70 Cb 0.00 -2.37 0.07 0.00 -0.00 0.00 0.00 39.64 37.33 2dll n ILE 70 CO 0.00 0.00 0.00 -0.62 -0.00 0.00 0.00 176.55 175.93 2dll s ASP 71 N -5.20 4.92 -0.27 4.38 2.15 -0.83 -5.02 116.67 116.80 2dll s ASP 71 Ca -0.11 -0.37 -0.10 0.00 0.43 0.00 0.00 52.55 52.40 2dll s ASP 71 Cb 0.20 -0.27 -0.05 0.00 -0.30 0.00 0.00 42.92 42.50 2dll s ASP 71 CO 0.58 -1.42 0.16 -0.75 -0.17 0.00 0.00 175.17 173.57 2dll s LYS 72 N -4.85 3.93 -0.26 4.34 2.47 -1.26 -4.64 119.74 119.48 2dll s LYS 72 Ca 0.61 -0.33 -0.29 0.00 -1.56 0.00 0.00 55.97 54.40 2dll s LYS 72 Cb -0.07 -3.58 -0.02 0.00 -1.46 0.00 0.00 37.83 32.70 2dll s LYS 72 CO 0.40 -0.13 1.64 -1.25 0.16 0.00 0.00 175.35 176.17 2dll s PRO 73 N 1.58 3.68 -0.32 4.03 0.04 -1.26 -4.98 135.00 137.77 2dll s PRO 73 Ca 0.07 1.56 0.04 0.00 0.04 0.00 0.00 61.00 62.71 2dll s PRO 73 Cb -0.15 -4.07 0.09 0.00 0.04 0.00 0.00 34.50 30.41 2dll s PRO 73 CO 0.09 -1.43 0.02 0.34 0.04 0.00 0.00 177.00 176.05 2dll s ASP 74 N 4.59 4.68 0.28 6.66 2.15 -1.26 -4.99 116.67 128.78 2dll s ASP 74 Ca 0.72 -1.99 0.02 0.00 0.43 0.00 0.00 52.55 51.73 2dll s ASP 74 Cb -0.24 -1.59 0.67 0.00 -0.30 0.00 0.00 42.92 41.47 2dll s ASP 74 CO 0.30 -0.34 1.69 -0.65 -0.17 0.00 0.00 175.17 176.00 2dll h PRO 75 N 7.66 0.35 -0.19 4.34 0.11 -2.00 -2.49 132.00 139.79 2dll h PRO 75 Ca -0.07 -0.02 0.03 0.00 0.11 0.00 0.00 66.00 66.05 2dll h PRO 75 Cb 1.02 -0.08 -0.06 0.00 0.11 0.00 0.00 31.00 31.99 2dll h PRO 75 CO 0.51 0.23 -0.52 -1.35 -0.21 0.00 0.00 178.00 176.65 2dll h PRO 76 N 0.36 -0.50 -0.77 1.05 0.11 -1.98 0.17 132.00 130.43 2dll h PRO 76 Ca 0.53 0.03 0.16 0.00 0.11 0.00 0.00 66.00 66.83 2dll h PRO 76 Cb 0.99 0.11 -0.10 0.00 0.11 0.00 0.00 31.00 32.12 2dll h PRO 76 CO -0.54 -0.33 0.28 1.15 -0.21 0.00 0.00 178.00 178.35 2dll h THR 77 N -0.52 0.60 -0.68 -1.15 2.02 -1.87 0.64 112.91 111.95 2dll h THR 77 Ca 0.04 -0.14 -0.04 0.00 0.77 0.00 0.00 66.41 67.04 2dll h THR 77 Cb 0.63 0.17 -0.03 0.00 -1.74 0.00 0.00 68.15 67.18 2dll h THR 77 CO -0.45 0.07 0.27 -0.50 0.37 0.00 0.00 175.52 175.28 2dll h TRP 78 N 0.40 1.04 0.09 3.16 6.55 -1.19 -2.39 115.95 123.61 2dll h TRP 78 Ca 0.43 -0.08 -0.00 0.00 0.95 0.00 0.00 58.89 60.19 2dll h TRP 78 Cb 0.70 -0.31 0.00 0.00 -0.86 0.00 0.00 29.16 28.69 2dll h TRP 78 CO -0.18 0.81 -0.04 0.87 -1.05 0.00 0.00 178.44 178.84 2dll h LYS 79 N 0.96 -0.12 -0.16 0.49 1.57 0.12 -3.21 116.57 116.23 2dll h LYS 79 Ca 0.23 0.01 0.01 0.00 -1.87 0.00 0.00 60.65 59.03 2dll h LYS 79 Cb 0.21 0.03 -0.02 0.00 0.08 0.00 0.00 32.23 32.53 2dll h LYS 79 CO -0.02 -0.08 -0.09 2.41 -0.57 0.00 0.00 179.45 181.10 2dll n THR 80 N -2.85 -0.11 -0.06 -0.16 -1.04 0.20 -0.05 114.28 110.23 2dll n THR 80 Ca -0.01 1.57 -0.01 0.00 -2.04 0.00 0.00 64.05 63.55 2dll n THR 80 Cb 0.05 -2.06 -0.01 0.00 -1.82 0.00 0.00 70.33 66.49 2dll n THR 80 CO 0.00 0.00 0.00 0.54 -0.64 0.00 0.00 175.07 174.97 2dll n ARG 81 N -3.32 -0.06 -0.32 -2.82 3.00 -0.90 0.83 116.66 113.07 2dll n ARG 81 Ca 0.00 0.88 0.13 0.00 -0.01 0.00 0.00 57.85 58.85 2dll n ARG 81 Cb 0.04 -1.31 0.31 0.00 0.00 0.00 0.00 32.46 31.50 2dll n ARG 81 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 177.63 178.88 2dll h LEU 82 N 0.00 0.54 -0.89 0.55 5.85 -1.37 0.18 115.31 120.17 2dll h LEU 82 Ca 0.02 0.13 0.04 0.00 0.84 0.00 0.00 57.88 58.91 2dll h LEU 82 Cb 0.05 0.05 -0.05 0.00 0.37 0.00 0.00 40.66 41.08 2dll h LEU 82 CO -0.13 0.12 0.57 -0.09 -0.34 0.00 0.00 178.44 178.58 2dll h ARG 83 N 0.56 1.06 -0.31 1.25 1.12 0.41 -1.52 114.38 116.95 2dll h ARG 83 Ca 0.56 -0.06 -0.12 0.00 -1.11 0.00 0.00 59.98 59.25 2dll h ARG 83 Cb 0.99 -0.24 -0.01 0.00 -0.01 0.00 0.00 29.97 30.70 2dll h ARG 83 CO -0.45 0.70 -0.29 0.00 -3.11 0.00 0.00 179.97 176.82 2dll h ALA 85 N 0.73 0.07 -0.94 0.00 0.00 -0.68 -2.05 119.26 116.39 2dll h ALA 85 Ca 0.05 0.05 0.12 0.00 0.00 0.00 0.00 54.91 55.14 2dll h ALA 85 Cb 0.86 0.13 -0.14 0.00 0.00 0.00 0.00 17.79 18.64 2dll h ALA 85 CO 0.07 -0.50 -0.47 1.25 0.00 0.00 0.00 179.25 179.61 2dll h LEU 86 N -0.02 -1.71 -0.57 0.00 5.85 -1.31 0.31 115.31 117.86 2dll h LEU 86 Ca 0.07 0.31 -0.01 0.00 0.84 0.00 0.00 57.88 59.09 2dll h LEU 86 Cb 0.13 0.82 -0.03 0.00 0.37 0.00 0.00 40.66 41.95 2dll h LEU 86 CO -0.15 -0.27 0.32 -1.13 -0.34 0.00 0.00 178.44 176.86 2dll h ASN 87 N -0.03 0.71 -0.95 1.25 -0.73 -1.59 -2.56 115.58 111.68 2dll h ASN 87 Ca 0.26 -0.09 0.19 0.00 1.87 0.00 0.00 56.30 58.53 2dll h ASN 87 Cb 0.53 -0.18 -0.11 0.00 0.27 0.00 0.00 38.32 38.83 2dll h ASN 87 CO -0.93 0.59 0.53 0.11 -0.37 0.00 0.00 177.43 177.36 2dll h LYS 88 N 0.77 0.63 -6.13 6.67 1.57 0.27 -3.40 116.57 116.94 2dll h LYS 88 Ca 0.20 -0.04 -0.66 0.00 -1.87 0.00 0.00 60.65 58.28 2dll h LYS 88 Cb 0.04 -0.14 0.00 0.00 0.08 0.00 0.00 32.23 32.21 2dll h LYS 88 CO -0.03 0.41 1.19 0.43 -0.57 0.00 0.00 179.45 180.88 2dll n SER 89 N -4.86 2.72 0.04 0.86 7.64 -0.19 -4.83 113.62 115.01 2dll n SER 89 Ca 0.22 0.76 -0.03 0.00 1.01 0.00 0.00 58.87 60.84 2dll n SER 89 Cb 0.58 -1.29 -0.08 0.00 -1.01 0.00 0.00 64.21 62.41 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 10.14 0.00 -0.06 6.43 -1.24 -1.87 -3.29 115.58 125.70 2dll h ASN 90 Ca -0.40 0.00 0.00 0.00 0.71 0.00 0.00 56.30 56.61 2dll h ASN 90 Cb 1.30 0.00 0.00 0.00 0.73 0.00 0.00 38.32 40.35 2dll h ASN 90 CO 0.98 0.74 0.00 0.47 -1.29 0.00 0.00 177.43 178.33 2dll n ASP 91 N -3.06 0.94 -4.53 1.15 9.92 -1.26 -4.80 116.55 114.90 2dll n ASP 91 Ca -0.08 -2.04 -0.31 0.00 -0.53 0.00 0.00 54.79 51.82 2dll n ASP 91 Cb 0.89 -0.30 -0.11 0.00 -0.64 0.00 0.00 41.12 40.95 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 -1.50 2.72 0.11 1.24 0.40 -1.24 0.23 117.98 119.95 2dll s PHE 92 Ca 0.05 -0.15 0.06 0.00 -0.60 0.00 0.00 56.93 56.29 2dll s PHE 92 Cb 0.03 -1.53 -0.04 0.00 0.51 0.00 0.00 43.02 41.99 2dll s PHE 92 CO 0.02 0.32 -0.02 -2.00 0.70 0.00 0.00 175.22 174.24 2dll s GLU 93 N -1.48 2.41 -0.44 0.44 2.56 0.12 -4.82 118.70 117.50 2dll s GLU 93 Ca 0.16 -0.94 -0.20 0.00 0.00 0.00 0.00 54.97 53.99 2dll s GLU 93 Cb -0.11 -2.44 0.03 0.00 2.00 0.00 0.00 34.13 33.60 2dll s GLU 93 CO 0.07 0.51 0.59 -2.00 -0.56 0.00 0.00 175.26 173.88 2dll s GLU 94 N -2.43 3.23 -0.17 4.30 2.12 -1.26 -2.40 118.70 122.08 2dll s GLU 94 Ca 0.25 -0.49 0.14 0.00 0.36 0.00 0.00 54.97 55.23 2dll s GLU 94 Cb -0.11 -3.96 0.70 0.00 0.26 0.00 0.00 34.13 31.02 2dll s GLU 94 CO 0.17 -0.99 1.59 1.28 -0.54 0.00 0.00 175.26 176.77 2dll n LEU 95 N 6.11 4.89 -0.29 2.70 4.77 -1.02 -4.58 117.00 129.58 2dll n LEU 95 Ca -0.03 -2.48 0.30 0.00 -0.03 0.00 0.00 56.01 53.77 2dll n LEU 95 Cb 0.48 -0.62 0.46 0.00 -2.33 0.00 0.00 43.42 41.41 2dll n LEU 95 CO 0.52 0.64 1.17 0.55 -1.33 0.00 0.00 177.39 178.95 2dll n VAL 96 N 0.73 0.00 -0.28 4.08 3.14 -1.25 0.14 118.33 124.89 2dll n VAL 96 Ca 0.24 1.17 -0.01 0.00 -2.96 0.00 0.00 64.34 62.79 2dll n VAL 96 Cb 0.99 -2.07 0.12 0.00 -1.06 0.00 0.00 33.84 31.82 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 0.85 0.00 1.45 5.08 -1.92 -2.50 114.58 117.55 2dll h GLU 97 Ca 0.53 -0.05 -0.11 0.00 -1.00 0.00 0.00 59.36 58.73 2dll h GLU 97 Cb 2.80 -0.19 -0.02 0.00 0.50 0.00 0.00 28.75 31.84 2dll h GLU 97 CO -0.01 0.56 -1.32 0.54 -1.00 0.00 0.00 179.01 177.79 2dll n ARG 98 N -4.67 0.62 -1.63 2.33 1.74 0.37 -4.93 116.66 110.48 2dll n ARG 98 Ca 0.10 0.17 -0.44 0.00 -0.77 0.00 0.00 57.85 56.92 2dll n ARG 98 Cb 0.16 -1.80 -0.01 0.00 -1.02 0.00 0.00 32.46 29.78 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 -2.80 1.85 -3.91 0.55 3.41 -0.90 -4.91 113.62 106.91 2dll n SER 99 Ca -0.07 1.19 -0.30 0.00 -0.26 0.00 0.00 58.87 59.42 2dll n SER 99 Cb 0.74 -1.36 -0.15 0.00 -0.26 0.00 0.00 64.21 63.19 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 -1.56 1.30 -0.07 4.33 -1.52 -1.06 -4.94 119.66 116.14 2dll s GLN 100 Ca 0.59 -1.38 0.12 0.00 -1.95 0.00 0.00 55.36 52.73 2dll s GLN 100 Cb -0.66 -2.66 0.31 0.00 -0.22 0.00 0.00 33.01 29.78 2dll s GLN 100 CO 0.60 -0.86 1.24 1.28 -0.25 0.00 0.00 175.29 177.30 2dll n LEU 101 N 4.55 2.96 -0.24 2.90 4.77 -1.26 -1.41 117.00 129.27 2dll n LEU 101 Ca -0.02 -2.48 0.08 0.00 -0.03 0.00 0.00 56.01 53.55 2dll n LEU 101 Cb 0.43 -0.31 0.14 0.00 -2.33 0.00 0.00 43.42 41.34 2dll n LEU 101 CO 0.18 0.67 0.59 0.47 -1.33 0.00 0.00 177.39 177.96 2dll n ASP 102 N -0.29 2.60 -4.79 -1.43 8.00 -1.26 -4.82 116.55 114.56 2dll n ASP 102 Ca 0.13 -2.85 -0.31 0.00 0.71 0.00 0.00 54.79 52.47 2dll n ASP 102 Cb 0.57 -0.37 -0.06 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 -2.48 1.38 0.14 0.53 -0.00 -1.26 -5.04 121.20 114.47 2dll s ILE 103 Ca 0.28 -1.87 -0.31 0.00 -0.00 0.00 0.00 60.65 58.76 2dll s ILE 103 Cb 0.24 -2.24 -0.08 0.00 -0.00 0.00 0.00 42.46 40.37 2dll s ILE 103 CO 0.04 0.00 1.53 0.28 -0.00 0.00 0.00 174.94 176.79 2dll h SER 104 N 1.24 -1.99 -3.47 4.36 0.02 -1.96 -3.30 113.55 108.46 2dll h SER 104 Ca -0.42 0.29 -0.70 0.00 -0.84 0.00 0.00 61.79 60.11 2dll h SER 104 Cb 1.31 0.85 -0.32 0.00 0.14 0.00 0.00 62.40 64.38 2dll h SER 104 CO 0.70 -0.29 -0.51 -0.62 -1.14 0.00 0.00 176.83 174.97 2dll s ASP 105 N -5.24 5.39 0.58 3.07 -1.08 -1.26 -5.09 116.67 113.04 2dll s ASP 105 Ca -0.13 -1.81 -0.18 0.00 -0.52 0.00 0.00 52.55 49.91 2dll s ASP 105 Cb 0.10 -1.89 -0.04 0.00 -1.46 0.00 0.00 42.92 39.63 2dll s ASP 105 CO 0.60 -0.54 1.12 -2.16 0.52 0.00 0.00 175.17 174.71 2dll s PRO 106 N 1.26 3.19 -0.07 4.34 0.04 -1.25 -4.90 135.00 137.61 2dll s PRO 106 Ca 0.05 1.54 -0.30 0.00 0.04 0.00 0.00 61.00 62.34 2dll s PRO 106 Cb -0.23 -1.99 0.10 0.00 0.04 0.00 0.00 34.50 32.42 2dll s PRO 106 CO -0.02 -0.97 0.84 1.52 0.04 0.00 0.00 177.00 178.41 2dll s TYR 107 N -1.94 -0.48 -0.20 0.56 1.13 -0.50 -2.69 117.35 113.22 2dll s TYR 107 Ca 0.71 0.73 -0.04 0.00 -1.41 0.00 0.00 57.07 57.05 2dll s TYR 107 Cb -0.23 0.46 -0.02 0.00 -1.10 0.00 0.00 41.96 41.07 2dll s TYR 107 CO 0.31 -0.51 -0.03 0.15 -2.51 0.00 0.00 175.55 172.97 2dll s LYS 108 N -1.63 3.50 0.05 -3.49 1.02 0.13 -2.56 119.74 116.75 2dll s LYS 108 Ca -0.04 -0.58 -0.16 0.00 0.02 0.00 0.00 55.97 55.21 2dll s LYS 108 Cb -0.00 -3.02 -0.06 0.00 -0.52 0.00 0.00 37.83 34.23 2dll s LYS 108 CO 0.02 -0.07 0.48 0.08 -0.92 0.00 0.00 175.35 174.94 2dll s VAL 109 N 1.17 4.91 0.03 3.17 1.01 -1.26 -1.60 120.40 127.84 2dll s VAL 109 Ca 0.02 0.94 -0.06 0.00 0.00 0.00 0.00 61.98 62.88 2dll s VAL 109 Cb -0.14 -3.77 -0.01 0.00 0.00 0.00 0.00 36.38 32.45 2dll s VAL 109 CO 0.00 0.51 0.11 -0.31 0.00 0.00 0.00 175.10 175.42 2dll s TYR 110 N -1.16 0.16 -0.12 5.22 1.51 -1.07 -2.43 117.35 119.47 2dll s TYR 110 Ca 0.28 -0.42 0.03 0.00 -1.01 0.00 0.00 57.07 55.94 2dll s TYR 110 Cb -0.17 -0.12 0.01 0.00 -0.11 0.00 0.00 41.96 41.57 2dll s TYR 110 CO 0.16 -0.36 -0.22 0.50 -1.11 0.00 0.00 175.55 174.53 2dll s ARG 111 N -2.41 2.92 -0.59 -0.62 3.52 -1.01 -3.01 118.95 117.76 2dll s ARG 111 Ca -0.07 -0.82 -0.27 0.00 -0.13 0.00 0.00 55.73 54.44 2dll s ARG 111 Cb -0.02 -2.31 0.00 0.00 -1.56 0.00 0.00 34.95 31.07 2dll s ARG 111 CO -0.04 0.05 1.55 0.42 -0.81 0.00 0.00 175.30 176.47 2dll s ILE 112 N 0.65 3.63 -0.13 4.11 1.01 -0.95 0.14 121.20 129.66 2dll s ILE 112 Ca -0.12 0.47 -0.29 0.00 0.00 0.00 0.00 60.65 60.71 2dll s ILE 112 Cb -0.16 -4.32 -0.01 0.00 0.01 0.00 0.00 42.46 37.97 2dll s ILE 112 CO 0.02 -1.16 1.09 -0.69 0.00 0.00 0.00 174.94 174.20 2dll s VAL 113 N 6.94 4.58 0.56 2.92 1.01 0.63 -4.95 120.40 132.09 2dll s VAL 113 Ca 0.55 1.88 -0.09 0.00 0.00 0.00 0.00 61.98 64.32 2dll s VAL 113 Cb -0.12 -4.21 0.14 0.00 0.00 0.00 0.00 36.38 32.19 2dll s VAL 113 CO 0.22 -0.06 0.50 -0.81 0.00 0.00 0.00 175.10 174.95 2dll n PRO 114 N 5.54 -1.98 0.01 2.72 -0.04 -1.26 -4.55 135.00 135.44 2dll n PRO 114 Ca 0.11 -0.79 -0.22 0.00 -0.04 0.00 0.00 63.50 62.56 2dll n PRO 114 Cb 0.47 -0.74 -0.14 0.00 -0.04 0.00 0.00 33.50 33.05 2dll n PRO 114 CO 0.00 0.00 0.00 1.05 -0.04 0.00 0.00 175.50 176.51 2dll h GLU 115 N 0.00 0.26 -4.04 0.54 4.11 -1.96 -3.46 114.58 110.03 2dll h GLU 115 Ca -0.19 -0.44 -0.52 0.00 0.07 0.00 0.00 59.36 58.29 2dll h GLU 115 Cb 0.57 0.16 -0.38 0.00 0.50 0.00 0.00 28.75 29.61 2dll h GLU 115 CO 0.12 1.21 -0.79 0.45 0.07 0.00 0.00 179.01 180.07 2dll s SER 116 N -7.06 2.36 0.16 3.06 0.15 -1.26 -4.56 113.70 106.55 2dll s SER 116 Ca -0.20 -0.44 0.01 0.00 0.70 0.00 0.00 55.95 56.02 2dll s SER 116 Cb 0.05 -0.77 0.01 0.00 -1.71 0.00 0.00 66.02 63.60 2dll s SER 116 CO 0.77 -0.17 0.09 0.61 1.20 0.00 0.00 173.24 175.73 2dll n GLY 117 N 4.97 3.27 0.07 9.45 0.00 0.03 -4.92 105.19 118.05 2dll n GLY 117 Ca -0.11 -2.22 -0.13 0.00 0.00 0.00 0.00 46.02 43.56 2dll n GLY 117 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 2dll h PRO 118 N 0.00 -0.03 0.16 1.61 0.13 -2.03 -3.34 132.00 128.50 2dll h PRO 118 Ca -0.11 0.00 -0.01 0.00 -0.87 0.00 0.00 66.00 65.01 2dll h PRO 118 Cb 0.38 0.01 0.00 0.00 0.13 0.00 0.00 31.00 31.52 2dll h PRO 118 CO 0.18 0.44 -0.08 1.03 -0.23 0.00 0.00 178.00 179.35 2dll h SER 119 N -0.52 -0.18 -5.09 1.44 0.87 -2.05 -3.46 113.55 104.57 2dll h SER 119 Ca -0.00 -0.28 -0.10 0.00 -1.23 0.00 0.00 61.79 60.18 2dll h SER 119 Cb 0.49 0.05 -0.16 0.00 -0.44 0.00 0.00 62.40 62.33 2dll h SER 119 CO 0.01 0.21 -0.33 -0.55 -0.53 0.00 0.00 176.83 175.64 2dll s SER 120 N -5.34 0.00 0.00 6.23 0.15 -1.25 -5.25 113.70 108.23 2dll s SER 120 Ca -0.15 -0.40 0.00 0.00 0.70 0.00 0.00 55.95 56.11 2dll s SER 120 Cb 0.02 0.33 0.00 0.00 -1.71 0.00 0.00 66.02 64.66 2dll s SER 120 CO 0.60 -0.64 0.00 0.61 1.20 0.00 0.00 173.24 175.01