#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2dll s SER 2 N 0.00 1.18 -0.05 1.61 0.01 -1.26 -5.13 113.70 110.06 2dll s SER 2 Ca 0.00 -0.04 -0.02 0.00 1.31 0.00 0.00 55.95 57.20 2dll s SER 2 Cb 0.00 -0.33 0.03 0.00 0.21 0.00 0.00 66.02 65.93 2dll s SER 2 CO 0.00 -0.17 0.10 -0.55 0.41 0.00 0.00 173.24 173.03 2dll s SER 3 N 1.69 -0.04 0.00 2.44 0.15 -1.26 -5.07 113.70 111.62 2dll s SER 3 Ca 0.00 0.20 0.00 0.00 0.70 0.00 0.00 55.95 56.85 2dll s SER 3 Cb -0.13 0.09 0.00 0.00 -1.71 0.00 0.00 66.02 64.27 2dll s SER 3 CO -0.03 -0.14 0.00 0.61 1.20 0.00 0.00 173.24 174.88 2dll n GLY 4 N 4.19 -1.43 3.74 9.45 0.00 -1.26 -5.02 105.19 114.87 2dll n GLY 4 Ca -0.27 -0.85 -0.40 0.00 0.00 0.00 0.00 46.02 44.50 2dll n GLY 4 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 2dll s SER 5 N 0.00 7.44 0.23 1.61 1.04 -1.26 -4.93 113.70 117.84 2dll s SER 5 Ca 0.00 1.72 0.01 0.00 0.48 0.00 0.00 55.95 58.16 2dll s SER 5 Cb 0.00 -2.55 0.56 0.00 0.10 0.00 0.00 66.02 64.13 2dll s SER 5 CO 0.00 0.04 1.18 -1.54 0.98 0.00 0.00 173.24 173.89 2dll n SER 6 N 2.38 -0.10 0.00 7.02 3.41 -1.26 -4.75 113.62 120.32 2dll n SER 6 Ca -0.01 1.28 0.00 0.00 -0.26 0.00 0.00 58.87 59.88 2dll n SER 6 Cb 0.49 -0.46 0.00 0.00 -0.26 0.00 0.00 64.21 63.98 2dll n SER 6 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 2dll n GLY 7 N -1.38 4.03 3.13 5.00 0.00 -1.26 -5.09 105.19 109.61 2dll n GLY 7 Ca 0.17 -0.50 -0.09 0.00 0.00 0.00 0.00 46.02 45.61 2dll n GLY 7 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 2dll s LYS 8 N -2.05 0.65 0.18 1.61 2.47 -1.26 -4.96 119.74 116.38 2dll s LYS 8 Ca 0.00 -0.88 -0.02 0.00 -1.56 0.00 0.00 55.97 53.51 2dll s LYS 8 Cb 0.00 0.25 0.37 0.00 -1.46 0.00 0.00 37.83 36.99 2dll s LYS 8 CO 0.00 -0.17 0.95 -0.11 0.16 0.00 0.00 175.35 176.18 2dll n LEU 9 N 0.46 -0.15 -0.06 5.43 7.94 -1.26 0.20 117.00 129.57 2dll n LEU 9 Ca -0.17 1.04 -0.02 0.00 -1.11 0.00 0.00 56.01 55.75 2dll n LEU 9 Cb 0.60 -0.34 -0.01 0.00 0.53 0.00 0.00 43.42 44.19 2dll n LEU 9 CO 0.24 -1.02 0.44 -1.14 -1.11 0.00 0.00 177.39 174.80 2dll n ARG 10 N -4.89 -0.06 0.04 1.96 3.00 -1.26 -0.42 116.66 115.03 2dll n ARG 10 Ca 0.12 0.96 -0.20 0.00 -0.00 0.00 0.00 57.85 58.74 2dll n ARG 10 Cb 0.38 -1.44 -0.14 0.00 0.00 0.00 0.00 32.46 31.26 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 0.29 -0.37 -0.14 5.75 -1.25 -3.19 115.11 116.20 2dll h GLN 11 Ca 0.02 -0.49 0.03 0.00 -0.15 0.00 0.00 58.65 58.07 2dll h GLN 11 Cb 0.06 0.18 -0.05 0.00 1.07 0.00 0.00 27.48 28.74 2dll h GLN 11 CO -0.13 1.23 -0.25 2.35 -2.65 0.00 0.00 178.83 179.38 2dll h TRP 12 N -0.39 -0.80 0.39 3.99 7.01 0.03 0.35 115.95 126.53 2dll h TRP 12 Ca -0.13 0.05 -0.01 0.00 2.11 0.00 0.00 58.89 60.91 2dll h TRP 12 Cb 1.60 0.40 -0.02 0.00 -2.10 0.00 0.00 29.16 29.04 2dll h TRP 12 CO 0.20 -0.17 -0.42 1.25 -2.79 0.00 0.00 178.44 176.51 2dll h LEU 13 N -0.04 -1.16 -1.00 0.65 5.85 -0.91 -2.00 115.31 116.70 2dll h LEU 13 Ca 0.06 0.10 0.40 0.00 0.84 0.00 0.00 57.88 59.27 2dll h LEU 13 Cb 0.20 0.39 -0.18 0.00 0.37 0.00 0.00 40.66 41.44 2dll h LEU 13 CO -0.37 -0.54 0.52 0.40 -0.34 0.00 0.00 178.44 178.10 2dll h ILE 14 N -0.82 0.04 -0.69 4.05 2.04 -1.43 1.41 117.51 122.12 2dll h ILE 14 Ca -0.05 -0.02 -0.06 0.00 1.00 0.00 0.00 64.86 65.73 2dll h ILE 14 Cb 0.71 -0.01 -0.03 0.00 -0.74 0.00 0.00 36.82 36.76 2dll h ILE 14 CO -0.07 0.01 0.18 -0.78 0.00 0.00 0.00 178.15 177.49 2dll h ASP 15 N 0.05 1.04 -0.45 1.72 1.82 0.39 -1.93 116.42 119.06 2dll h ASP 15 Ca 0.82 -0.21 -0.05 0.00 -0.39 0.00 0.00 57.03 57.20 2dll h ASP 15 Cb 2.12 -0.27 -0.02 0.00 0.68 0.00 0.00 39.33 41.83 2dll h ASP 15 CO -0.75 0.99 0.10 1.56 -1.61 0.00 0.00 179.24 179.53 2dll h GLN 16 N 1.05 0.79 -0.01 0.28 1.08 0.24 -2.33 115.11 116.20 2dll h GLN 16 Ca 0.22 -0.17 -0.00 0.00 -1.45 0.00 0.00 58.65 57.25 2dll h GLN 16 Cb 0.35 -0.12 -0.00 0.00 -0.05 0.00 0.00 27.48 27.66 2dll h GLN 16 CO -0.00 0.73 -0.01 0.82 -0.95 0.00 0.00 178.83 179.42 2dll h ILE 17 N 0.76 1.36 0.07 2.54 2.04 -1.02 -2.81 117.51 120.44 2dll h ILE 17 Ca 0.16 -1.06 0.03 0.00 1.00 0.00 0.00 64.86 64.99 2dll h ILE 17 Cb 0.31 2.05 -0.05 0.00 -0.74 0.00 0.00 36.82 38.39 2dll h ILE 17 CO 0.00 0.28 -0.36 -0.78 0.00 0.00 0.00 178.15 177.29 2dll h ASP 18 N -0.41 -1.07 -0.83 1.72 1.82 -1.25 -0.83 116.42 115.56 2dll h ASP 18 Ca 0.00 0.13 0.20 0.00 -0.39 0.00 0.00 57.03 56.97 2dll h ASP 18 Cb 0.46 0.41 -0.05 0.00 0.68 0.00 0.00 39.33 40.83 2dll h ASP 18 CO 0.00 -0.43 0.57 0.77 -1.61 0.00 0.00 179.24 178.54 2dll h SER 19 N -0.56 0.26 -2.76 2.28 4.64 -1.49 -3.45 113.55 112.47 2dll h SER 19 Ca 0.04 0.02 -0.36 0.00 -0.47 0.00 0.00 61.79 61.02 2dll h SER 19 Cb 0.61 -0.02 -0.01 0.00 -0.31 0.00 0.00 62.40 62.67 2dll h SER 19 CO -0.25 0.11 -0.48 0.61 -0.87 0.00 0.00 176.83 175.96 2dll n GLY 20 N -1.58 -0.38 0.20 -0.77 0.00 -0.32 -4.90 105.19 97.44 2dll n GLY 20 Ca 0.17 -0.10 -0.18 0.00 0.00 0.00 0.00 46.02 45.90 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 -0.14 0.70 -6.18 1.61 1.57 -1.85 -3.44 116.57 108.84 2dll h LYS 21 Ca -0.44 -0.69 -0.58 0.00 -1.87 0.00 0.00 60.65 57.07 2dll h LYS 21 Cb 1.32 0.18 -0.05 0.00 0.08 0.00 0.00 32.23 33.76 2dll h LYS 21 CO 0.51 1.28 -0.10 0.71 -0.57 0.00 0.00 179.45 181.28 2dll s TYR 22 N -3.46 3.75 0.55 -1.35 1.51 -1.26 -5.06 117.35 112.02 2dll s TYR 22 Ca -0.09 1.15 -0.19 0.00 -1.01 0.00 0.00 57.07 56.92 2dll s TYR 22 Cb 0.08 -2.41 -0.06 0.00 -0.11 0.00 0.00 41.96 39.46 2dll s TYR 22 CO 0.91 0.58 1.13 -1.25 -1.11 0.00 0.00 175.55 175.81 2dll s PRO 23 N -1.26 3.33 0.00 -1.71 0.04 -1.26 -3.29 135.00 130.84 2dll s PRO 23 Ca 0.29 1.60 0.00 0.00 0.04 0.00 0.00 61.00 62.93 2dll s PRO 23 Cb -0.18 -2.00 0.00 0.00 0.04 0.00 0.00 34.50 32.36 2dll s PRO 23 CO 0.17 -0.86 0.00 0.41 0.04 0.00 0.00 177.00 176.76 2dll n GLY 24 N 0.12 2.28 3.57 0.56 0.00 -1.26 -4.74 105.19 105.72 2dll n GLY 24 Ca 0.12 -0.03 -0.42 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 3.38 -0.11 0.99 2.96 -1.21 -4.41 118.68 120.28 2dll s LEU 25 Ca 0.00 0.13 -0.22 0.00 -0.22 0.00 0.00 54.13 53.83 2dll s LEU 25 Cb 0.00 -3.01 0.05 0.00 0.50 0.00 0.00 46.19 43.73 2dll s LEU 25 CO 0.00 -1.68 0.52 0.68 -1.32 0.00 0.00 176.35 174.56 2dll s VAL 26 N 5.76 0.02 -0.09 1.68 -7.23 -1.23 -4.73 120.40 114.58 2dll s VAL 26 Ca 0.47 -0.13 -0.30 0.00 -1.81 0.00 0.00 61.98 60.22 2dll s VAL 26 Cb -0.09 -0.79 -0.02 0.00 0.56 0.00 0.00 36.38 36.03 2dll s VAL 26 CO 0.24 -0.07 1.12 0.26 -0.31 0.00 0.00 175.10 176.33 2dll s TRP 27 N -0.60 3.32 0.29 2.82 0.52 -1.26 -1.65 118.94 122.38 2dll s TRP 27 Ca -0.07 1.37 0.20 0.00 0.02 0.00 0.00 56.10 57.62 2dll s TRP 27 Cb -0.03 -3.32 0.92 0.00 -1.15 0.00 0.00 33.47 29.89 2dll s TRP 27 CO 0.05 -0.85 1.86 0.93 0.02 0.00 0.00 176.95 178.96 2dll h GLU 28 N 7.34 0.00 -5.46 4.98 5.08 0.12 -3.45 114.58 123.19 2dll h GLU 28 Ca -0.32 0.00 -0.58 0.00 -1.00 0.00 0.00 59.36 57.47 2dll h GLU 28 Cb 1.15 0.00 -0.13 0.00 0.50 0.00 0.00 28.75 30.26 2dll h GLU 28 CO 0.88 0.29 -0.59 0.54 -1.00 0.00 0.00 179.01 179.12 2dll s ASN 29 N -6.47 3.33 0.11 1.42 2.20 -1.20 -5.05 114.94 109.28 2dll s ASN 29 Ca -0.01 -1.40 0.03 0.00 -0.94 0.00 0.00 52.86 50.54 2dll s ASN 29 Cb 0.12 -0.20 -0.20 0.00 -2.00 0.00 0.00 41.25 38.97 2dll s ASN 29 CO 0.66 -0.55 1.26 -0.33 -2.94 0.00 0.00 177.10 175.20 2dll h GLU 30 N 1.86 0.10 0.00 3.55 4.39 -1.93 -3.19 114.58 119.37 2dll h GLU 30 Ca -0.43 -0.16 0.00 0.00 0.34 0.00 0.00 59.36 59.11 2dll h GLU 30 Cb 1.25 0.06 0.00 0.00 -0.10 0.00 0.00 28.75 29.96 2dll h GLU 30 CO 0.76 1.05 0.12 -0.85 -1.16 0.00 0.00 179.01 178.93 2dll n GLU 31 N -3.45 0.08 -2.56 2.33 0.28 -1.26 -4.78 120.64 111.27 2dll n GLU 31 Ca -0.03 0.54 -0.18 0.00 -0.16 0.00 0.00 57.16 57.32 2dll n GLU 31 Cb 0.94 -1.87 0.01 0.00 1.43 0.00 0.00 31.44 31.95 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 -1.89 -2.52 -0.09 3.44 4.76 -1.21 -4.88 118.16 115.77 2dll n LYS 32 Ca -0.01 0.84 -0.11 0.00 -2.87 0.00 0.00 58.31 56.16 2dll n LYS 32 Cb 0.14 -5.37 -0.09 0.00 -1.84 0.00 0.00 35.03 27.86 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 -1.62 2.30 -4.57 4.39 7.64 -1.26 -4.96 113.62 115.54 2dll n SER 33 Ca -0.17 -0.08 -0.34 0.00 1.01 0.00 0.00 58.87 59.30 2dll n SER 33 Cb 0.64 -0.01 -0.11 0.00 -1.01 0.00 0.00 64.21 63.72 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 -2.36 4.29 0.13 0.44 1.01 -1.26 -1.20 121.20 122.24 2dll s ILE 34 Ca -0.20 -0.22 -0.05 0.00 0.00 0.00 0.00 60.65 60.17 2dll s ILE 34 Cb 0.06 -2.89 -0.02 0.00 0.01 0.00 0.00 42.46 39.61 2dll s ILE 34 CO 0.46 0.49 0.16 0.72 0.00 0.00 0.00 174.94 176.78 2dll s PHE 35 N 0.23 0.52 -0.10 3.97 -0.12 -0.93 0.84 117.98 122.38 2dll s PHE 35 Ca 0.00 -0.92 0.01 0.00 -0.05 0.00 0.00 56.93 55.98 2dll s PHE 35 Cb -0.13 -0.23 -0.02 0.00 -0.63 0.00 0.00 43.02 42.01 2dll s PHE 35 CO 0.02 -0.59 -0.14 -0.98 -0.05 0.00 0.00 175.22 173.48 2dll s ARG 36 N -3.97 3.11 -0.11 1.99 1.70 -0.66 -1.69 118.95 119.32 2dll s ARG 36 Ca 0.16 -0.71 0.00 0.00 -0.47 0.00 0.00 55.73 54.72 2dll s ARG 36 Cb 0.05 -2.53 -0.02 0.00 -0.57 0.00 0.00 34.95 31.88 2dll s ARG 36 CO -0.02 0.32 -0.12 -1.50 -1.08 0.00 0.00 175.30 172.90 2dll s ILE 37 N 0.05 3.19 -0.32 4.99 2.07 -0.50 -3.48 121.20 127.21 2dll s ILE 37 Ca -0.05 -0.63 -0.29 0.00 -1.41 0.00 0.00 60.65 58.27 2dll s ILE 37 Cb -0.15 -2.32 -0.01 0.00 0.13 0.00 0.00 42.46 40.11 2dll s ILE 37 CO 0.04 0.54 1.68 -2.16 -1.91 0.00 0.00 174.94 173.14 2dll s PRO 38 N -0.01 3.49 -0.47 3.50 0.04 -1.26 0.54 135.00 140.83 2dll s PRO 38 Ca -0.03 1.39 -0.11 0.00 0.04 0.00 0.00 61.00 62.29 2dll s PRO 38 Cb -0.14 -4.13 0.10 0.00 0.04 0.00 0.00 34.50 30.38 2dll s PRO 38 CO 0.04 -1.66 0.36 -0.46 0.04 0.00 0.00 177.00 175.32 2dll s TRP 39 N 6.20 3.34 -0.22 0.56 -0.11 -0.81 -4.93 118.94 122.97 2dll s TRP 39 Ca 0.74 -1.54 -0.03 0.00 1.22 0.00 0.00 56.10 56.49 2dll s TRP 39 Cb -0.21 -3.38 0.10 0.00 -1.50 0.00 0.00 33.47 28.48 2dll s TRP 39 CO 0.33 -0.94 0.23 0.15 -4.62 0.00 0.00 176.95 172.10 2dll s LYS 40 N 1.46 0.21 0.00 5.86 1.02 -1.26 -4.50 119.74 122.53 2dll s LYS 40 Ca 0.04 0.12 0.00 0.00 0.02 0.00 0.00 55.97 56.15 2dll s LYS 40 Cb -0.26 -1.11 0.00 0.00 -0.52 0.00 0.00 37.83 35.94 2dll s LYS 40 CO 0.02 -0.73 0.74 -2.39 -0.92 0.00 0.00 175.35 172.06 2dll n HIS 41 N 5.31 0.00 -0.01 3.18 -0.00 -1.26 -4.61 115.22 117.83 2dll n HIS 41 Ca -0.05 0.00 -0.01 0.00 -0.00 0.00 0.00 57.72 57.66 2dll n HIS 41 Cb 0.49 -0.24 -0.02 0.00 -0.00 0.00 0.00 29.99 30.22 2dll n HIS 41 CO 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 176.34 176.34 2dll n ALA 42 N -1.43 1.93 0.00 1.59 0.00 -1.26 -5.06 120.51 116.28 2dll n ALA 42 Ca 0.00 -0.17 0.00 0.00 0.00 0.00 0.00 53.44 53.27 2dll n ALA 42 Cb 0.00 0.23 0.00 0.00 0.00 0.00 0.00 19.45 19.68 2dll n ALA 42 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 2dll n GLY 43 N 2.92 1.95 3.90 0.00 0.00 -1.26 -4.48 105.19 108.22 2dll n GLY 43 Ca -0.05 0.01 -0.29 0.00 0.00 0.00 0.00 46.02 45.70 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 2.51 -0.08 1.61 3.01 -1.26 -5.03 119.74 120.50 2dll s LYS 44 Ca 0.00 0.23 0.02 0.00 -1.01 0.00 0.00 55.97 55.20 2dll s LYS 44 Cb 0.00 -2.04 -0.06 0.00 -1.01 0.00 0.00 37.83 34.72 2dll s LYS 44 CO 0.00 -1.20 -0.06 0.94 0.51 0.00 0.00 175.35 175.54 2dll n GLN 45 N -3.05 0.77 0.21 1.68 7.27 -1.26 -4.60 117.38 118.39 2dll n GLN 45 Ca 0.07 0.04 0.07 0.00 0.07 0.00 0.00 57.00 57.25 2dll n GLN 45 Cb 0.59 -1.17 0.60 0.00 2.41 0.00 0.00 30.24 32.66 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 0.08 -4.12 1.69 3.32 -1.97 -3.44 116.42 111.98 2dll h ASP 46 Ca -0.19 -0.00 -0.55 0.00 0.02 0.00 0.00 57.03 56.31 2dll h ASP 46 Cb 1.32 -0.02 0.17 0.00 0.22 0.00 0.00 39.33 41.03 2dll h ASP 46 CO -0.02 0.07 0.38 0.00 -1.72 0.00 0.00 179.24 177.94 2dll n TYR 47 N -4.52 1.45 -1.68 4.55 4.11 -1.26 -4.84 117.16 114.97 2dll n TYR 47 Ca -0.02 0.41 -0.49 0.00 -0.00 0.00 0.00 57.90 57.80 2dll n TYR 47 Cb 0.09 -2.16 -0.05 0.00 -0.00 0.00 0.00 39.34 37.22 2dll n TYR 47 CO 0.00 0.00 0.00 0.09 -0.00 0.00 0.00 176.86 176.95 2dll n ASN 48 N -2.64 3.32 -0.01 9.48 3.02 -1.26 -4.87 115.26 122.29 2dll n ASN 48 Ca 0.14 0.96 -0.21 0.00 -0.03 0.00 0.00 54.58 55.44 2dll n ASN 48 Cb 0.49 -1.35 -0.13 0.00 -0.61 0.00 0.00 39.78 38.18 2dll n ASN 48 CO 0.00 0.00 0.00 -0.09 -2.62 0.00 0.00 177.26 174.55 2dll h ARG 49 N 9.17 0.20 -0.06 3.52 9.65 -1.88 -3.10 114.38 131.88 2dll h ARG 49 Ca -0.48 -0.35 -0.01 0.00 -1.10 0.00 0.00 59.98 58.04 2dll h ARG 49 Cb 1.28 0.13 -0.00 0.00 -1.39 0.00 0.00 29.97 29.98 2dll h ARG 49 CO 0.95 1.17 -0.00 1.05 2.80 0.00 0.00 179.97 185.94 2dll h GLU 50 N -0.40 0.12 -0.07 0.20 4.11 -1.91 0.38 114.58 117.02 2dll h GLU 50 Ca -0.31 -0.04 0.01 0.00 0.07 0.00 0.00 59.36 59.09 2dll h GLU 50 Cb 1.69 -0.01 -0.01 0.00 0.50 0.00 0.00 28.75 30.92 2dll h GLU 50 CO 0.02 0.40 0.01 0.93 0.07 0.00 0.00 179.01 180.45 2dll h GLU 51 N -0.18 0.04 -0.34 1.06 4.39 -1.98 0.55 114.58 118.11 2dll h GLU 51 Ca 0.02 -0.00 -0.07 0.00 0.34 0.00 0.00 59.36 59.65 2dll h GLU 51 Cb 0.35 -0.01 -0.01 0.00 -0.10 0.00 0.00 28.75 28.98 2dll h GLU 51 CO 0.00 0.03 -0.05 -0.44 -1.16 0.00 0.00 179.01 177.39 2dll h ASP 52 N 0.04 0.64 -0.24 1.42 5.19 -1.55 -2.68 116.42 119.24 2dll h ASP 52 Ca 0.03 -0.35 0.00 0.00 -0.62 0.00 0.00 57.03 56.09 2dll h ASP 52 Cb 0.02 -0.17 0.00 0.00 0.18 0.00 0.00 39.33 39.36 2dll h ASP 52 CO -0.04 0.84 0.00 0.00 -3.12 0.00 0.00 179.24 176.92 2dll n ALA 53 N -2.41 2.91 -0.02 3.45 0.00 0.13 -4.09 120.51 120.49 2dll n ALA 53 Ca -0.02 -0.69 -0.16 0.00 0.00 0.00 0.00 53.44 52.56 2dll n ALA 53 Cb 0.31 -1.03 -0.10 0.00 0.00 0.00 0.00 19.45 18.63 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 2.96 0.10 -0.15 0.00 0.00 0.47 -2.37 119.26 120.27 2dll h ALA 54 Ca 0.00 -0.50 0.01 0.00 0.00 0.00 0.00 54.91 54.42 2dll h ALA 54 Cb 0.93 0.01 -0.01 0.00 0.00 0.00 0.00 17.79 18.71 2dll h ALA 54 CO 0.15 0.25 0.06 1.25 0.00 0.00 0.00 179.25 180.96 2dll h LEU 55 N -0.16 0.07 0.91 0.00 5.85 -1.76 -2.27 115.31 117.96 2dll h LEU 55 Ca -0.04 0.01 -0.04 0.00 0.84 0.00 0.00 57.88 58.64 2dll h LEU 55 Cb 1.12 0.00 0.01 0.00 0.37 0.00 0.00 40.66 42.16 2dll h LEU 55 CO 0.09 0.06 -0.44 -0.26 -0.34 0.00 0.00 178.44 177.55 2dll h PHE 56 N 0.13 -1.14 -0.98 1.25 0.04 -1.82 -3.09 116.94 111.33 2dll h PHE 56 Ca 0.06 -0.03 0.15 0.00 2.80 0.00 0.00 57.97 60.95 2dll h PHE 56 Cb 0.03 0.38 -0.16 0.00 2.20 0.00 0.00 35.95 38.40 2dll h PHE 56 CO -0.10 -0.70 -0.39 -0.22 -0.60 0.00 0.00 178.31 176.29 2dll h LYS 57 N -1.29 -0.01 -0.67 1.51 1.63 -1.39 0.17 116.57 116.51 2dll h LYS 57 Ca -0.13 0.00 0.11 0.00 -0.85 0.00 0.00 60.65 59.79 2dll h LYS 57 Cb 0.94 0.00 -0.12 0.00 -0.60 0.00 0.00 32.23 32.45 2dll h LYS 57 CO 0.21 -0.01 -0.36 0.00 -3.45 0.00 0.00 179.45 175.84 2dll h ALA 58 N 1.33 -0.05 -0.06 5.00 0.00 -1.36 -0.88 119.26 123.24 2dll h ALA 58 Ca 0.34 0.18 0.04 0.00 0.00 0.00 0.00 54.91 55.46 2dll h ALA 58 Cb 0.59 0.86 -0.05 0.00 0.00 0.00 0.00 17.79 19.19 2dll h ALA 58 CO -0.97 -0.69 -0.27 2.35 0.00 0.00 0.00 179.25 179.66 2dll h TRP 59 N -0.14 -0.74 -0.96 0.00 2.91 -0.61 0.12 115.95 116.53 2dll h TRP 59 Ca 0.25 0.03 0.29 0.00 1.13 0.00 0.00 58.89 60.59 2dll h TRP 59 Cb 0.56 0.34 -0.17 0.00 -0.51 0.00 0.00 29.16 29.38 2dll h TRP 59 CO -0.70 -0.36 0.24 0.00 -1.03 0.00 0.00 178.44 176.59 2dll h ALA 60 N 0.46 1.47 0.03 2.65 0.00 -0.55 0.45 119.26 123.76 2dll h ALA 60 Ca 0.08 0.28 -0.27 0.00 0.00 0.00 0.00 54.91 55.00 2dll h ALA 60 Cb 0.50 0.42 0.02 0.00 0.00 0.00 0.00 17.79 18.73 2dll h ALA 60 CO -0.28 -0.62 -1.09 -0.07 0.00 0.00 0.00 179.25 177.19 2dll h LEU 61 N 0.09 0.86 -0.16 0.00 3.38 -0.83 0.61 115.31 119.27 2dll h LEU 61 Ca 0.65 -0.72 0.05 0.00 0.09 0.00 0.00 57.88 57.95 2dll h LEU 61 Cb 1.44 -0.27 -0.06 0.00 0.09 0.00 0.00 40.66 41.86 2dll h LEU 61 CO -0.78 1.52 -0.24 0.15 0.09 0.00 0.00 178.44 179.17 2dll h PHE 62 N 0.35 -0.65 0.00 1.13 3.57 0.25 0.08 116.94 121.67 2dll h PHE 62 Ca -0.14 0.03 -0.07 0.00 3.53 0.00 0.00 57.97 61.32 2dll h PHE 62 Cb 1.74 0.31 -0.01 0.00 2.79 0.00 0.00 35.95 40.78 2dll h PHE 62 CO 0.10 -0.32 -1.12 1.63 -2.23 0.00 0.00 178.31 176.37 2dll n LYS 63 N -5.37 0.52 -0.30 1.11 4.76 -0.27 -4.51 118.16 114.10 2dll n LYS 63 Ca -0.02 0.29 0.10 0.00 -2.87 0.00 0.00 58.31 55.81 2dll n LYS 63 Cb 0.28 -1.50 0.33 0.00 -1.84 0.00 0.00 35.03 32.30 2dll n LYS 63 CO 0.00 0.00 0.00 0.78 -1.37 0.00 0.00 177.40 176.81 2dll h GLY 64 N -1.00 1.35 -4.19 0.72 0.00 0.02 -3.46 103.07 96.51 2dll h GLY 64 Ca -0.11 -0.34 -0.29 0.00 0.00 0.00 0.00 47.33 46.59 2dll h GLY 64 CO -0.06 0.12 -0.48 1.17 0.00 0.00 0.00 176.54 177.29 2dll n LYS 65 N -4.58 -5.19 -1.72 4.80 0.00 0.01 -4.93 118.16 106.57 2dll n LYS 65 Ca 0.18 0.61 -0.37 0.00 0.00 0.00 0.00 58.31 58.73 2dll n LYS 65 Cb 0.42 -4.96 0.06 0.00 0.00 0.00 0.00 35.03 30.56 2dll n LYS 65 CO 0.00 0.00 0.00 0.34 0.00 0.00 0.00 177.40 177.74 2dll n PHE 66 N -4.27 1.87 -3.62 5.64 7.35 -1.25 -4.98 117.46 118.19 2dll n PHE 66 Ca -0.02 0.42 -0.39 0.00 -0.76 0.00 0.00 57.45 56.70 2dll n PHE 66 Cb 0.55 -2.27 -0.11 0.00 0.35 0.00 0.00 39.48 38.00 2dll n PHE 66 CO 0.00 0.00 0.00 1.03 -0.76 0.00 0.00 176.76 177.03 2dll s ARG 67 N -3.20 3.18 -0.33 -4.13 3.00 -1.26 -4.89 118.95 111.32 2dll s ARG 67 Ca 0.80 -0.83 -0.28 0.00 0.00 0.00 0.00 55.73 55.42 2dll s ARG 67 Cb -0.39 -3.65 -0.03 0.00 0.00 0.00 0.00 34.95 30.87 2dll s ARG 67 CO 0.43 -0.52 1.98 -2.00 0.00 0.00 0.00 175.30 175.19 2dll s GLU 68 N 1.61 3.13 0.00 3.54 2.12 -1.26 -2.33 118.70 125.50 2dll s GLU 68 Ca 0.04 1.56 0.00 0.00 0.36 0.00 0.00 54.97 56.93 2dll s GLU 68 Cb -0.18 -4.30 0.00 0.00 0.26 0.00 0.00 34.13 29.92 2dll s GLU 68 CO 0.07 -2.11 0.00 0.41 -0.54 0.00 0.00 175.26 173.09 2dll n GLY 69 N 5.60 3.32 0.08 -1.50 0.00 -1.26 -4.88 105.19 106.54 2dll n GLY 69 Ca 0.26 -0.93 -0.13 0.00 0.00 0.00 0.00 46.02 45.22 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 1.22 -1.85 -0.61 2.04 -1.96 -3.45 117.51 112.90 2dll h ILE 70 Ca 0.00 -0.92 -0.44 0.00 1.00 0.00 0.00 64.86 64.49 2dll h ILE 70 Cb 0.00 1.82 0.00 0.00 -0.74 0.00 0.00 36.82 37.90 2dll h ILE 70 CO 0.00 0.23 -0.36 -1.81 0.00 0.00 0.00 178.15 176.21 2dll s ASP 71 N -5.53 5.99 -0.21 1.72 1.11 -0.98 -5.07 116.67 113.70 2dll s ASP 71 Ca -0.15 -0.16 -0.19 0.00 0.18 0.00 0.00 52.55 52.22 2dll s ASP 71 Cb 0.02 -1.30 -0.03 0.00 1.07 0.00 0.00 42.92 42.68 2dll s ASP 71 CO 0.64 -0.38 0.55 -0.75 1.18 0.00 0.00 175.17 176.41 2dll s LYS 72 N -4.14 4.18 0.01 8.23 2.47 -1.26 -4.82 119.74 124.41 2dll s LYS 72 Ca 0.43 0.46 -0.30 0.00 -1.56 0.00 0.00 55.97 55.00 2dll s LYS 72 Cb -0.09 -3.58 -0.06 0.00 -1.46 0.00 0.00 37.83 32.64 2dll s LYS 72 CO 0.31 -0.20 1.44 -1.25 0.16 0.00 0.00 175.35 175.80 2dll s PRO 73 N 1.81 4.27 -0.29 4.03 0.04 -1.26 -5.00 135.00 138.59 2dll s PRO 73 Ca 0.25 2.02 -0.01 0.00 0.04 0.00 0.00 61.00 63.30 2dll s PRO 73 Cb -0.16 -3.57 0.09 0.00 0.04 0.00 0.00 34.50 30.91 2dll s PRO 73 CO 0.10 -0.59 0.08 0.16 0.04 0.00 0.00 177.00 176.78 2dll s ASP 74 N 1.93 3.88 0.28 6.66 1.47 -1.26 -5.01 116.67 124.63 2dll s ASP 74 Ca 0.65 -1.51 0.02 0.00 1.18 0.00 0.00 52.55 52.90 2dll s ASP 74 Cb -0.33 -0.86 0.69 0.00 -0.34 0.00 0.00 42.92 42.08 2dll s ASP 74 CO 0.27 -0.39 1.69 -0.65 0.68 0.00 0.00 175.17 176.78 2dll h PRO 75 N 8.09 0.36 -1.03 2.11 0.11 -2.00 -0.43 132.00 139.21 2dll h PRO 75 Ca -0.14 -0.02 0.27 0.00 0.11 0.00 0.00 66.00 66.22 2dll h PRO 75 Cb 1.03 -0.08 -0.12 0.00 0.11 0.00 0.00 31.00 31.95 2dll h PRO 75 CO 0.45 0.24 0.64 -1.35 -0.21 0.00 0.00 178.00 177.77 2dll h PRO 76 N 0.37 0.45 -0.01 1.05 0.11 -2.00 -0.47 132.00 131.50 2dll h PRO 76 Ca 0.54 -0.03 -0.04 0.00 0.11 0.00 0.00 66.00 66.58 2dll h PRO 76 Cb 1.01 -0.10 0.00 0.00 0.11 0.00 0.00 31.00 32.02 2dll h PRO 76 CO -0.53 0.30 -0.16 1.15 -0.21 0.00 0.00 178.00 178.54 2dll h THR 77 N 0.46 1.53 -0.73 -1.15 2.02 -1.51 -2.85 112.91 110.68 2dll h THR 77 Ca 0.64 -1.79 0.11 0.00 0.77 0.00 0.00 66.41 66.15 2dll h THR 77 Cb 1.44 2.65 -0.08 0.00 -1.74 0.00 0.00 68.15 70.42 2dll h THR 77 CO -0.42 0.48 0.34 -0.50 0.37 0.00 0.00 175.52 175.80 2dll h TRP 78 N -0.52 0.60 -0.49 3.16 6.55 -1.07 0.27 115.95 124.45 2dll h TRP 78 Ca -0.02 0.03 -0.03 0.00 0.95 0.00 0.00 58.89 59.83 2dll h TRP 78 Cb 0.88 -0.16 -0.02 0.00 -0.86 0.00 0.00 29.16 29.00 2dll h TRP 78 CO 0.17 0.17 0.19 0.87 -1.05 0.00 0.00 178.44 178.78 2dll h LYS 79 N 0.55 0.73 0.37 0.49 1.57 -1.21 -2.73 116.57 116.34 2dll h LYS 79 Ca 0.38 -0.14 -0.02 0.00 -1.87 0.00 0.00 60.65 59.00 2dll h LYS 79 Cb 0.48 -0.12 0.00 0.00 0.08 0.00 0.00 32.23 32.67 2dll h LYS 79 CO -0.32 0.66 -0.18 1.15 -0.57 0.00 0.00 179.45 180.19 2dll h THR 80 N 0.65 0.61 0.00 -0.16 2.02 -1.02 0.00 112.91 115.02 2dll h THR 80 Ca 0.16 -0.46 0.00 0.00 0.77 0.00 0.00 66.41 66.88 2dll h THR 80 Cb 0.21 0.83 0.00 0.00 -1.74 0.00 0.00 68.15 67.45 2dll h THR 80 CO -0.01 0.08 0.38 0.03 0.37 0.00 0.00 175.52 176.37 2dll h ARG 81 N -0.77 0.00 0.05 6.66 -0.00 -0.51 0.25 114.38 120.06 2dll h ARG 81 Ca -0.05 0.00 -0.37 0.00 -0.50 0.00 0.00 59.98 59.06 2dll h ARG 81 Cb 0.52 0.00 -0.04 0.00 0.00 0.00 0.00 29.97 30.44 2dll h ARG 81 CO 0.08 0.00 -2.12 -0.11 0.00 0.00 0.00 179.97 177.82 2dll n LEU 82 N -2.52 2.53 -0.19 3.04 7.94 -0.99 -4.24 117.00 122.56 2dll n LEU 82 Ca -0.01 0.15 -0.10 0.00 -1.11 0.00 0.00 56.01 54.94 2dll n LEU 82 Cb 0.41 -0.98 0.01 0.00 0.53 0.00 0.00 43.42 43.39 2dll n LEU 82 CO 0.09 0.75 0.78 0.03 -1.11 0.00 0.00 177.39 177.93 2dll h ARG 83 N -0.28 0.99 -0.46 1.96 3.08 0.11 -2.05 114.38 117.73 2dll h ARG 83 Ca -0.51 -0.34 0.09 0.00 0.07 0.00 0.00 59.98 59.30 2dll h ARG 83 Cb 1.82 -0.08 -0.10 0.00 0.08 0.00 0.00 29.97 31.69 2dll h ARG 83 CO -0.09 1.02 -0.25 0.00 -1.07 0.00 0.00 179.97 179.58 2dll h ALA 85 N 1.08 0.08 -1.15 0.00 0.00 -1.72 -2.38 119.26 115.17 2dll h ALA 85 Ca 0.21 -0.23 0.39 0.00 0.00 0.00 0.00 54.91 55.28 2dll h ALA 85 Cb 0.49 -0.02 -0.14 0.00 0.00 0.00 0.00 17.79 18.11 2dll h ALA 85 CO -0.55 -0.17 0.70 1.25 0.00 0.00 0.00 179.25 180.48 2dll h LEU 86 N -0.26 0.35 0.09 0.00 5.85 -0.76 0.29 115.31 120.88 2dll h LEU 86 Ca 0.01 0.17 -0.14 0.00 0.84 0.00 0.00 57.88 58.77 2dll h LEU 86 Cb 0.47 0.15 0.02 0.00 0.37 0.00 0.00 40.66 41.66 2dll h LEU 86 CO 0.01 -0.20 -0.60 -1.13 -0.34 0.00 0.00 178.44 176.18 2dll h ASN 87 N 0.16 0.36 -0.95 1.25 -1.24 -1.22 -3.29 115.58 110.65 2dll h ASN 87 Ca 0.79 -0.94 0.22 0.00 0.71 0.00 0.00 56.30 57.07 2dll h ASN 87 Cb 2.19 -0.12 -0.08 0.00 0.73 0.00 0.00 38.32 41.04 2dll h ASN 87 CO -0.53 1.28 0.62 0.11 -1.29 0.00 0.00 177.43 177.61 2dll h LYS 88 N -0.49 0.44 -6.09 6.67 1.79 0.04 -3.40 116.57 115.52 2dll h LYS 88 Ca -0.10 -0.03 -0.66 0.00 -2.18 0.00 0.00 60.65 57.68 2dll h LYS 88 Cb 1.45 -0.10 -0.00 0.00 -1.58 0.00 0.00 32.23 32.00 2dll h LYS 88 CO 0.11 0.29 1.25 0.43 -1.08 0.00 0.00 179.45 180.46 2dll n SER 89 N -4.56 2.62 0.03 0.86 7.64 -0.17 -4.83 113.62 115.22 2dll n SER 89 Ca 0.21 0.66 -0.05 0.00 1.01 0.00 0.00 58.87 60.71 2dll n SER 89 Cb 0.72 -1.29 -0.10 0.00 -1.01 0.00 0.00 64.21 62.53 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 10.85 0.00 0.00 6.43 2.35 -1.91 -3.28 115.58 130.02 2dll h ASN 90 Ca -0.37 0.00 0.00 0.00 -0.55 0.00 0.00 56.30 55.38 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 0.99 0.83 0.00 0.47 -1.65 0.00 0.00 177.43 178.07 2dll n ASP 91 N -3.10 0.00 -4.70 5.81 8.00 -1.26 -4.76 116.55 116.54 2dll n ASP 91 Ca -0.09 -1.80 -0.35 0.00 0.71 0.00 0.00 54.79 53.26 2dll n ASP 91 Cb 0.93 -0.00 -0.09 0.00 -0.02 0.00 0.00 41.12 41.94 2dll n ASP 91 CO 0.00 0.00 0.00 -0.36 -0.39 0.00 0.00 177.20 176.45 2dll s PHE 92 N -2.00 3.20 0.08 1.24 0.40 -1.24 0.18 117.98 119.85 2dll s PHE 92 Ca 0.00 0.22 0.05 0.00 -0.60 0.00 0.00 56.93 56.60 2dll s PHE 92 Cb 0.00 -1.80 -0.04 0.00 0.51 0.00 0.00 43.02 41.69 2dll s PHE 92 CO 0.00 0.49 -0.03 -2.00 0.70 0.00 0.00 175.22 174.39 2dll s GLU 93 N -0.93 2.46 -0.41 0.44 2.12 0.38 -4.86 118.70 117.90 2dll s GLU 93 Ca 0.14 -0.87 -0.17 0.00 0.36 0.00 0.00 54.97 54.43 2dll s GLU 93 Cb -0.11 -2.49 0.02 0.00 0.26 0.00 0.00 34.13 31.81 2dll s GLU 93 CO 0.03 0.54 0.43 -2.00 -0.54 0.00 0.00 175.26 173.72 2dll s GLU 94 N -2.20 3.13 -0.16 4.30 2.12 -1.26 -2.03 118.70 122.60 2dll s GLU 94 Ca 0.24 -0.73 0.13 0.00 0.36 0.00 0.00 54.97 54.97 2dll s GLU 94 Cb -0.11 -3.95 0.66 0.00 0.26 0.00 0.00 34.13 30.98 2dll s GLU 94 CO 0.16 -0.83 1.53 1.28 -0.54 0.00 0.00 175.26 176.86 2dll n LEU 95 N 5.58 4.64 -0.38 2.70 4.77 -0.55 -4.61 117.00 129.15 2dll n LEU 95 Ca -0.07 -2.35 0.30 0.00 -0.03 0.00 0.00 56.01 53.86 2dll n LEU 95 Cb 0.47 -0.61 0.49 0.00 -2.33 0.00 0.00 43.42 41.44 2dll n LEU 95 CO 0.46 0.62 0.88 0.55 -1.33 0.00 0.00 177.39 178.56 2dll n VAL 96 N 0.68 -0.10 -0.29 4.08 3.14 -1.23 0.13 118.33 124.74 2dll n VAL 96 Ca 0.23 1.11 0.11 0.00 -2.96 0.00 0.00 64.34 62.83 2dll n VAL 96 Cb 0.94 -1.83 0.27 0.00 -1.06 0.00 0.00 33.84 32.16 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 0.25 0.00 1.45 5.08 -1.91 0.12 114.58 119.57 2dll h GLU 97 Ca 0.60 -0.02 -0.08 0.00 -1.00 0.00 0.00 59.36 58.86 2dll h GLU 97 Cb 2.13 -0.06 -0.01 0.00 0.50 0.00 0.00 28.75 31.31 2dll h GLU 97 CO -0.19 0.17 -1.21 0.54 -1.00 0.00 0.00 179.01 177.32 2dll n ARG 98 N -5.17 0.61 -1.59 2.33 1.74 0.35 -4.94 116.66 109.99 2dll n ARG 98 Ca 0.20 0.17 -0.41 0.00 -0.77 0.00 0.00 57.85 57.04 2dll n ARG 98 Cb 0.63 -1.82 0.02 0.00 -1.02 0.00 0.00 32.46 30.27 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 -2.78 0.85 -3.87 0.55 3.41 0.42 -4.91 113.62 107.29 2dll n SER 99 Ca -0.05 0.98 -0.30 0.00 -0.26 0.00 0.00 58.87 59.25 2dll n SER 99 Cb 0.69 -1.32 -0.16 0.00 -0.26 0.00 0.00 64.21 63.16 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 -2.05 1.26 -0.08 4.33 -1.52 -0.94 -4.95 119.66 115.70 2dll s GLN 100 Ca 0.65 -0.94 0.12 0.00 -1.95 0.00 0.00 55.36 53.24 2dll s GLN 100 Cb -0.54 -2.44 0.28 0.00 -0.22 0.00 0.00 33.01 30.09 2dll s GLN 100 CO 0.56 -0.69 1.20 1.28 -0.25 0.00 0.00 175.29 177.39 2dll n LEU 101 N 4.75 2.75 -0.22 2.90 4.77 -1.26 -1.16 117.00 129.54 2dll n LEU 101 Ca -0.09 -2.57 0.08 0.00 -0.03 0.00 0.00 56.01 53.40 2dll n LEU 101 Cb 0.44 -0.31 0.13 0.00 -2.33 0.00 0.00 43.42 41.36 2dll n LEU 101 CO 0.16 0.65 0.58 0.47 -1.33 0.00 0.00 177.39 177.92 2dll n ASP 102 N -0.57 2.57 -4.71 -1.43 8.00 -1.26 -4.85 116.55 114.29 2dll n ASP 102 Ca 0.12 -2.81 -0.28 0.00 0.71 0.00 0.00 54.79 52.54 2dll n ASP 102 Cb 0.56 -0.35 -0.08 0.00 -0.02 0.00 0.00 41.12 41.22 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 -2.41 1.94 0.16 0.53 -0.00 -1.26 -5.04 121.20 115.12 2dll s ILE 103 Ca 0.27 -1.85 -0.29 0.00 -0.00 0.00 0.00 60.65 58.77 2dll s ILE 103 Cb 0.23 -2.79 -0.04 0.00 -0.00 0.00 0.00 42.46 39.86 2dll s ILE 103 CO 0.04 0.00 1.51 -1.20 -0.00 0.00 0.00 174.94 175.29 2dll n SER 104 N -1.18 -1.00 -4.17 4.36 7.64 -1.26 -3.62 113.62 114.39 2dll n SER 104 Ca -0.06 1.74 -0.37 0.00 1.01 0.00 0.00 58.87 61.19 2dll n SER 104 Cb 0.66 -0.24 -0.11 0.00 -1.01 0.00 0.00 64.21 63.51 2dll n SER 104 CO 0.00 0.00 0.00 -1.81 -3.01 0.00 0.00 175.04 170.22 2dll s ASP 105 N -5.48 5.31 0.56 6.43 1.01 -1.26 -5.09 116.67 118.15 2dll s ASP 105 Ca -0.12 -1.77 -0.19 0.00 0.71 0.00 0.00 52.55 51.18 2dll s ASP 105 Cb 0.12 -1.86 -0.05 0.00 1.01 0.00 0.00 42.92 42.14 2dll s ASP 105 CO 0.62 -0.50 1.13 -2.16 0.21 0.00 0.00 175.17 174.46 2dll s PRO 106 N 1.24 3.27 -0.06 8.23 0.04 -1.24 -4.92 135.00 141.56 2dll s PRO 106 Ca 0.05 1.57 -0.31 0.00 0.04 0.00 0.00 61.00 62.35 2dll s PRO 106 Cb -0.23 -2.00 0.08 0.00 0.04 0.00 0.00 34.50 32.40 2dll s PRO 106 CO -0.02 -0.91 0.74 1.52 0.04 0.00 0.00 177.00 178.38 2dll s TYR 107 N -1.87 -0.59 -0.20 0.56 1.13 -0.31 -1.93 117.35 114.15 2dll s TYR 107 Ca 0.72 0.99 -0.03 0.00 -1.41 0.00 0.00 57.07 57.34 2dll s TYR 107 Cb -0.23 0.42 -0.01 0.00 -1.10 0.00 0.00 41.96 41.04 2dll s TYR 107 CO 0.29 -0.56 -0.06 0.15 -2.51 0.00 0.00 175.55 172.86 2dll s LYS 108 N -1.29 3.39 -0.03 -3.49 1.02 0.19 -2.22 119.74 117.31 2dll s LYS 108 Ca -0.09 -0.63 -0.22 0.00 0.02 0.00 0.00 55.97 55.05 2dll s LYS 108 Cb -0.00 -2.93 -0.04 0.00 -0.52 0.00 0.00 37.83 34.34 2dll s LYS 108 CO 0.07 -0.10 0.66 0.08 -0.92 0.00 0.00 175.35 175.14 2dll s VAL 109 N 1.21 4.97 0.07 3.17 1.01 -1.26 -1.41 120.40 128.16 2dll s VAL 109 Ca 0.02 1.38 0.04 0.00 0.00 0.00 0.00 61.98 63.42 2dll s VAL 109 Cb -0.14 -4.00 -0.03 0.00 0.00 0.00 0.00 36.38 32.20 2dll s VAL 109 CO -0.02 0.32 -0.12 -0.31 0.00 0.00 0.00 175.10 174.98 2dll s TYR 110 N 0.35 1.06 -0.18 5.22 1.51 -0.68 -1.49 117.35 123.13 2dll s TYR 110 Ca 0.35 -0.51 0.01 0.00 -1.01 0.00 0.00 57.07 55.90 2dll s TYR 110 Cb -0.18 -0.60 0.03 0.00 -0.11 0.00 0.00 41.96 41.10 2dll s TYR 110 CO 0.18 0.01 -0.18 0.50 -1.11 0.00 0.00 175.55 174.96 2dll s ARG 111 N -1.96 2.77 -0.57 -0.62 3.52 -0.86 -2.19 118.95 119.05 2dll s ARG 111 Ca -0.02 -0.85 -0.27 0.00 -0.13 0.00 0.00 55.73 54.47 2dll s ARG 111 Cb -0.08 -2.53 -0.02 0.00 -1.56 0.00 0.00 34.95 30.76 2dll s ARG 111 CO 0.01 -0.26 1.79 0.42 -0.81 0.00 0.00 175.30 176.45 2dll s ILE 112 N 1.30 3.43 -0.01 4.11 1.01 -0.34 -0.47 121.20 130.22 2dll s ILE 112 Ca 0.03 0.30 -0.30 0.00 0.00 0.00 0.00 60.65 60.69 2dll s ILE 112 Cb -0.14 -3.98 -0.04 0.00 0.01 0.00 0.00 42.46 38.32 2dll s ILE 112 CO -0.12 -0.89 1.14 -0.69 0.00 0.00 0.00 174.94 174.39 2dll s VAL 113 N 8.32 4.35 0.89 2.92 1.01 0.49 -4.95 120.40 133.42 2dll s VAL 113 Ca 0.67 1.67 -0.15 0.00 0.00 0.00 0.00 61.98 64.17 2dll s VAL 113 Cb -0.14 -4.07 0.22 0.00 0.00 0.00 0.00 36.38 32.39 2dll s VAL 113 CO 0.23 0.06 0.79 -0.81 0.00 0.00 0.00 175.10 175.37 2dll n PRO 114 N 4.56 -2.57 -2.22 2.72 -0.04 -1.26 -4.63 135.00 131.56 2dll n PRO 114 Ca 0.09 -1.26 -0.35 0.00 -0.04 0.00 0.00 63.50 61.94 2dll n PRO 114 Cb 0.47 -1.18 0.01 0.00 -0.04 0.00 0.00 33.50 32.75 2dll n PRO 114 CO 0.00 0.00 0.00 -1.21 -0.04 0.00 0.00 175.50 174.25 2dll s GLU 115 N -4.79 3.32 1.02 0.54 0.41 -1.26 -4.98 118.70 112.95 2dll s GLU 115 Ca 0.51 1.57 -0.16 0.00 -0.41 0.00 0.00 54.97 56.48 2dll s GLU 115 Cb -0.05 -2.00 0.21 0.00 -1.78 0.00 0.00 34.13 30.51 2dll s GLU 115 CO 0.39 -0.87 1.24 -1.54 -0.49 0.00 0.00 175.26 174.00 2dll s SER 116 N -1.89 2.60 0.30 -0.19 1.04 -1.26 -5.10 113.70 109.21 2dll s SER 116 Ca 0.72 0.45 0.03 0.00 0.48 0.00 0.00 55.95 57.63 2dll s SER 116 Cb -0.23 -0.61 -0.03 0.00 0.10 0.00 0.00 66.02 65.25 2dll s SER 116 CO 0.28 -3.06 0.28 -0.83 0.98 0.00 0.00 173.24 170.89 2dll s GLY 117 N -4.53 1.93 0.00 7.32 0.00 -1.26 -5.01 107.32 105.76 2dll s GLY 117 Ca 0.72 -1.86 0.03 0.00 0.00 0.00 0.00 44.72 43.61 2dll s GLY 117 CO 0.54 -1.35 0.63 -1.55 0.00 0.00 0.00 173.10 171.37 2dll n PRO 118 N -0.52 0.48 -4.10 2.90 -0.04 -1.26 -4.58 135.00 127.89 2dll n PRO 118 Ca 0.05 0.00 -0.34 0.00 -0.04 0.00 0.00 63.50 63.17 2dll n PRO 118 Cb 0.63 -1.09 -0.15 0.00 -0.04 0.00 0.00 33.50 32.85 2dll n PRO 118 CO 0.00 0.00 0.00 -1.12 -0.04 0.00 0.00 175.50 174.34 2dll s SER 119 N -1.60 3.54 -0.17 3.54 0.01 -1.26 -5.10 113.70 112.66 2dll s SER 119 Ca 0.04 -0.55 0.01 0.00 1.31 0.00 0.00 55.95 56.76 2dll s SER 119 Cb 0.02 -1.57 0.02 0.00 0.21 0.00 0.00 66.02 64.70 2dll s SER 119 CO 0.03 0.00 -0.20 -0.44 0.41 0.00 0.00 173.24 173.04 2dll s SER 120 N 1.30 3.10 0.00 2.44 0.01 -1.26 -5.13 113.70 114.16 2dll s SER 120 Ca 0.04 -0.63 0.00 0.00 1.31 0.00 0.00 55.95 56.67 2dll s SER 120 Cb -0.14 -1.46 0.00 0.00 0.21 0.00 0.00 66.02 64.64 2dll s SER 120 CO -0.09 0.02 0.00 0.61 0.41 0.00 0.00 173.24 174.19