#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1f2r n ALA 3 N 0.59 -0.28 -2.64 0.00 0.00 -1.26 -4.85 120.51 112.07 1f2r n ALA 3 Ca 0.31 0.35 -0.43 0.00 0.00 0.00 0.00 53.44 53.68 1f2r n ALA 3 Cb 0.38 -2.18 -0.02 0.00 0.00 0.00 0.00 19.45 17.62 1f2r n ALA 3 CO 0.00 0.00 0.00 0.08 0.00 0.00 0.00 177.50 177.58 1f2r s VAL 4 N 3.97 4.59 0.70 0.00 1.01 -1.26 -5.03 120.40 124.39 1f2r s VAL 4 Ca 1.02 1.78 -0.10 0.00 0.00 0.00 0.00 61.98 64.68 1f2r s VAL 4 Cb -1.17 -4.35 0.03 0.00 0.00 0.00 0.00 36.38 30.88 1f2r s VAL 4 CO 0.68 -0.36 1.07 -0.22 0.00 0.00 0.00 175.10 176.26 1f2r s LEU 5 N 3.44 2.89 0.12 3.92 0.20 -1.26 -4.99 118.68 122.99 1f2r s LEU 5 Ca 0.44 0.92 0.16 0.00 0.69 0.00 0.00 54.13 56.34 1f2r s LEU 5 Cb -0.13 -3.65 -0.08 0.00 -0.43 0.00 0.00 46.19 41.89 1f2r s LEU 5 CO 0.12 -1.41 0.99 0.03 -0.29 0.00 0.00 176.35 175.79 1f2r h ARG 6 N -0.63 0.00 -2.51 1.98 2.47 -1.98 -3.47 114.38 110.24 1f2r h ARG 6 Ca -0.45 0.00 -0.07 0.00 -1.26 0.00 0.00 59.98 58.19 1f2r h ARG 6 Cb 1.27 0.00 -0.18 0.00 -1.65 0.00 0.00 29.97 29.41 1f2r h ARG 6 CO 0.63 0.34 0.02 1.14 0.56 0.00 0.00 179.97 182.67 1f2r s GLN 7 N -2.95 0.96 0.08 0.04 -2.07 -1.26 -5.12 119.66 109.34 1f2r s GLN 7 Ca -0.01 -0.02 -0.31 0.00 -1.82 0.00 0.00 55.36 53.20 1f2r s GLN 7 Cb 0.08 0.44 -0.09 0.00 -1.09 0.00 0.00 33.01 32.35 1f2r s GLN 7 CO 0.80 -0.31 1.85 -1.25 -1.32 0.00 0.00 175.29 175.05 1f2r s PRO 8 N -1.65 4.15 1.30 9.60 0.04 -1.26 -4.81 135.00 142.37 1f2r s PRO 8 Ca -0.10 2.55 -0.19 0.00 0.04 0.00 0.00 61.00 63.30 1f2r s PRO 8 Cb -0.01 -3.81 0.32 0.00 0.04 0.00 0.00 34.50 31.04 1f2r s PRO 8 CO 0.05 -0.87 0.99 0.15 0.04 0.00 0.00 177.00 177.36 1f2r s LYS 9 N 3.39 -2.00 -0.07 4.56 -0.14 0.12 -4.62 119.74 120.97 1f2r s LYS 9 Ca 0.82 0.27 -0.08 0.00 -1.36 0.00 0.00 55.97 55.62 1f2r s LYS 9 Cb -0.43 -1.47 0.02 0.00 -1.68 0.00 0.00 37.83 34.26 1f2r s LYS 9 CO 0.37 -4.30 0.21 0.00 -0.76 0.00 0.00 175.35 170.88 1f2r s VAL 11 N -0.07 0.04 -0.24 0.00 -7.23 -0.88 0.19 120.40 112.21 1f2r s VAL 11 Ca -0.02 -0.50 0.02 0.00 -1.81 0.00 0.00 61.98 59.67 1f2r s VAL 11 Cb -0.02 -1.24 0.05 0.00 0.56 0.00 0.00 36.38 35.73 1f2r s VAL 11 CO 0.01 -0.19 -0.13 -0.54 -0.31 0.00 0.00 175.10 173.93 1f2r s LYS 12 N -3.81 2.41 -0.72 4.82 1.02 -1.04 -1.91 119.74 120.51 1f2r s LYS 12 Ca 0.04 -1.20 -0.26 0.00 0.02 0.00 0.00 55.97 54.57 1f2r s LYS 12 Cb 0.00 -2.79 0.04 0.00 -0.52 0.00 0.00 37.83 34.56 1f2r s LYS 12 CO -0.10 -0.48 1.21 -0.51 -0.92 0.00 0.00 175.35 174.56 1f2r s LEU 13 N 1.16 3.43 -0.12 3.17 1.02 -0.47 -1.70 118.68 125.17 1f2r s LEU 13 Ca -0.05 -0.56 -0.04 0.00 0.02 0.00 0.00 54.13 53.50 1f2r s LEU 13 Cb -0.18 -2.53 -0.03 0.00 0.02 0.00 0.00 46.19 43.46 1f2r s LEU 13 CO -0.07 -1.75 0.02 -0.60 0.02 0.00 0.00 176.35 173.96 1f2r s ARG 14 N 5.38 3.36 0.67 1.70 3.52 -0.53 0.23 118.95 133.28 1f2r s ARG 14 Ca 0.32 -0.40 -0.01 0.00 -0.13 0.00 0.00 55.73 55.52 1f2r s ARG 14 Cb -0.10 -2.93 0.09 0.00 -1.56 0.00 0.00 34.95 30.45 1f2r s ARG 14 CO 0.14 0.53 0.93 0.00 -0.81 0.00 0.00 175.30 176.09 1f2r s ALA 15 N -0.39 3.67 -0.18 6.12 0.00 -1.04 -0.96 121.76 128.98 1f2r s ALA 15 Ca 0.08 -1.48 -0.23 0.00 0.00 0.00 0.00 51.96 50.33 1f2r s ALA 15 Cb -0.12 -2.12 -0.21 0.00 0.00 0.00 0.00 23.12 20.66 1f2r s ALA 15 CO 0.02 -1.22 0.37 -0.07 0.00 0.00 0.00 175.76 174.86 1f2r h LEU 16 N -0.36 0.04 -3.43 0.00 3.38 -1.91 -3.39 115.31 109.64 1f2r h LEU 16 Ca -0.39 -0.65 -0.23 0.00 0.09 0.00 0.00 57.88 56.70 1f2r h LEU 16 Cb 1.28 -0.01 -0.14 0.00 0.09 0.00 0.00 40.66 41.89 1f2r h LEU 16 CO 0.47 1.40 -0.00 1.41 0.09 0.00 0.00 178.44 181.80 1f2r n HIS 17 N -4.42 1.34 -0.01 1.13 8.25 -1.26 -4.50 115.22 115.75 1f2r n HIS 17 Ca -0.27 -1.66 0.09 0.00 -0.26 0.00 0.00 57.72 55.62 1f2r n HIS 17 Cb 0.66 -0.55 -0.15 0.00 1.12 0.00 0.00 29.99 31.06 1f2r n HIS 17 CO 0.00 0.00 0.00 0.45 0.64 0.00 0.00 176.34 177.43 1f2r n SER 18 N -1.13 0.49 -0.45 0.41 2.88 -1.26 -4.96 113.62 109.59 1f2r n SER 18 Ca 0.37 0.00 -0.06 0.00 -1.33 0.00 0.00 58.87 57.85 1f2r n SER 18 Cb 1.11 1.85 -0.03 0.00 -0.75 0.00 0.00 64.21 66.39 1f2r n SER 18 CO 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 175.04 173.81 1f2r n ALA 19 N -2.21 -0.09 -3.28 -1.46 0.00 -1.26 -4.92 120.51 107.28 1f2r n ALA 19 Ca -0.05 0.10 -0.12 0.00 0.00 0.00 0.00 53.44 53.37 1f2r n ALA 19 Cb 0.55 -1.32 -0.02 0.00 0.00 0.00 0.00 19.45 18.66 1f2r n ALA 19 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1f2r s LYS 21 N -2.87 1.82 -0.37 0.00 0.00 -1.26 -2.50 119.74 114.57 1f2r s LYS 21 Ca 0.24 -1.82 0.02 0.00 0.00 0.00 0.00 55.97 54.40 1f2r s LYS 21 Cb -0.02 0.40 0.11 0.00 0.00 0.00 0.00 37.83 38.32 1f2r s LYS 21 CO 0.16 -0.73 0.12 -0.06 0.00 0.00 0.00 175.35 174.84 1f2r s PHE 22 N -3.25 2.67 -0.24 1.78 0.40 0.62 -4.86 117.98 115.10 1f2r s PHE 22 Ca 0.34 -2.48 -0.29 0.00 -0.60 0.00 0.00 56.93 53.90 1f2r s PHE 22 Cb 0.01 -2.31 -0.01 0.00 0.51 0.00 0.00 43.02 41.21 1f2r s PHE 22 CO 0.22 -0.87 1.43 0.20 0.70 0.00 0.00 175.22 176.90 1f2r s GLY 23 N 0.92 1.37 -0.01 4.36 0.00 -1.26 -1.37 107.32 111.33 1f2r s GLY 23 Ca 0.12 0.33 -0.12 0.00 0.00 0.00 0.00 44.72 45.05 1f2r s GLY 23 CO -0.12 2.75 0.26 0.14 0.00 0.00 0.00 173.10 176.13 1f2r s VAL 24 N 4.54 0.07 0.34 1.40 1.01 -0.80 -4.99 120.40 121.97 1f2r s VAL 24 Ca 0.62 -0.56 0.03 0.00 0.00 0.00 0.00 61.98 62.08 1f2r s VAL 24 Cb -0.21 -0.58 -0.05 0.00 0.00 0.00 0.00 36.38 35.54 1f2r s VAL 24 CO 0.24 -0.31 0.09 0.00 0.00 0.00 0.00 175.10 175.13 1f2r s ALA 25 N -1.42 2.44 -0.26 5.51 0.00 -1.26 -2.07 121.76 124.70 1f2r s ALA 25 Ca -0.13 -1.74 -0.36 0.00 0.00 0.00 0.00 51.96 49.72 1f2r s ALA 25 Cb -0.06 0.77 0.16 0.00 0.00 0.00 0.00 23.12 23.99 1f2r s ALA 25 CO 0.03 -0.35 1.33 0.00 0.00 0.00 0.00 175.76 176.77 1f2r s ALA 26 N -3.35 -2.16 -0.35 0.00 0.00 -0.92 -4.93 121.76 110.05 1f2r s ALA 26 Ca 0.32 1.83 0.03 0.00 0.00 0.00 0.00 51.96 54.14 1f2r s ALA 26 Cb 0.06 -0.47 0.32 0.00 0.00 0.00 0.00 23.12 23.04 1f2r s ALA 26 CO 0.15 -0.52 1.30 0.54 0.00 0.00 0.00 175.76 177.23 1f2r n ARG 27 N 0.04 1.95 -3.25 0.00 1.74 -1.26 0.12 116.66 116.01 1f2r n ARG 27 Ca 0.03 -1.37 -0.03 0.00 -0.77 0.00 0.00 57.85 55.71 1f2r n ARG 27 Cb 0.57 -1.63 -0.04 0.00 -1.02 0.00 0.00 32.46 30.33 1f2r n ARG 27 CO 0.00 0.00 0.00 -1.12 -1.52 0.00 0.00 177.63 174.99 1f2r s SER 28 N -0.13 -0.52 0.33 0.55 0.01 -1.26 -4.70 113.70 107.97 1f2r s SER 28 Ca 0.25 0.37 0.12 0.00 1.31 0.00 0.00 55.95 58.00 1f2r s SER 28 Cb 0.21 1.59 1.00 0.00 0.21 0.00 0.00 66.02 69.02 1f2r s SER 28 CO 0.06 -0.29 1.69 0.00 0.41 0.00 0.00 173.24 175.11 1f2r h GLN 30 N 0.44 0.14 -0.77 0.00 4.20 -1.95 -2.65 115.11 114.52 1f2r h GLN 30 Ca 0.69 -0.03 0.17 0.00 0.06 0.00 0.00 58.65 59.55 1f2r h GLN 30 Cb 1.47 -0.02 -0.12 0.00 0.30 0.00 0.00 27.48 29.11 1f2r h GLN 30 CO -0.55 0.31 0.16 1.49 -0.67 0.00 0.00 178.83 179.58 1f2r h GLU 31 N -0.06 0.23 -0.45 1.46 4.57 -1.22 0.46 114.58 119.56 1f2r h GLU 31 Ca 0.03 -0.01 -0.01 0.00 -1.18 0.00 0.00 59.36 58.18 1f2r h GLU 31 Cb 0.23 -0.05 -0.02 0.00 -0.16 0.00 0.00 28.75 28.75 1f2r h GLU 31 CO -0.00 0.15 0.24 -0.07 -1.18 0.00 0.00 179.01 178.15 1f2r h LEU 32 N 0.24 0.58 -0.96 1.64 3.38 -1.30 -2.48 115.31 116.41 1f2r h LEU 32 Ca 0.44 -0.10 0.16 0.00 0.09 0.00 0.00 57.88 58.46 1f2r h LEU 32 Cb 0.78 -0.15 -0.10 0.00 0.09 0.00 0.00 40.66 41.29 1f2r h LEU 32 CO -0.56 0.52 0.57 -0.07 0.09 0.00 0.00 178.44 178.99 1f2r h LEU 33 N 0.60 0.76 0.38 1.67 3.38 -0.57 -1.43 115.31 120.09 1f2r h LEU 33 Ca 0.16 0.08 -0.02 0.00 0.09 0.00 0.00 57.88 58.19 1f2r h LEU 33 Cb 0.08 -0.06 0.00 0.00 0.09 0.00 0.00 40.66 40.77 1f2r h LEU 33 CO -0.02 0.33 -0.18 0.03 0.09 0.00 0.00 178.44 178.68 1f2r h ARG 34 N 0.80 -0.49 -0.95 1.13 2.47 -0.98 -1.86 114.38 114.49 1f2r h ARG 34 Ca 0.52 0.03 0.30 0.00 -1.26 0.00 0.00 59.98 59.57 1f2r h ARG 34 Cb 0.70 0.11 -0.17 0.00 -1.65 0.00 0.00 29.97 28.96 1f2r h ARG 34 CO -0.34 -0.33 0.26 0.87 0.56 0.00 0.00 179.97 180.99 1f2r h LYS 35 N -0.68 0.10 -0.23 0.04 1.57 -1.26 0.53 116.57 116.64 1f2r h LYS 35 Ca -0.05 -0.01 -0.01 0.00 -1.87 0.00 0.00 60.65 58.71 1f2r h LYS 35 Cb 0.39 -0.02 -0.01 0.00 0.08 0.00 0.00 32.23 32.67 1f2r h LYS 35 CO 0.09 0.07 0.11 0.78 -0.57 0.00 0.00 179.45 179.92 1f2r h GLY 36 N 0.10 0.36 2.00 3.86 0.00 -1.23 -1.00 103.07 107.16 1f2r h GLY 36 Ca 0.65 -0.18 0.00 0.00 0.00 0.00 0.00 47.33 47.79 1f2r h GLY 36 CO -0.77 0.18 0.00 0.00 0.00 0.00 0.00 176.54 175.95 1f2r h VAL 38 N 0.00 1.26 0.00 0.00 2.07 0.06 0.15 116.25 119.79 1f2r h VAL 38 Ca 0.00 -2.94 -0.09 0.00 0.82 0.00 0.00 66.70 64.49 1f2r h VAL 38 Cb 0.34 2.75 -0.01 0.00 -1.52 0.00 0.00 31.29 32.85 1f2r h VAL 38 CO 0.00 0.81 -1.20 0.03 0.02 0.00 0.00 177.57 177.23 1f2r h ARG 39 N 0.05 0.00 -0.01 1.57 2.47 -0.85 -3.35 114.38 114.25 1f2r h ARG 39 Ca -0.19 0.00 0.00 0.00 -1.26 0.00 0.00 59.98 58.53 1f2r h ARG 39 Cb 1.96 0.00 0.00 0.00 -1.65 0.00 0.00 29.97 30.28 1f2r h ARG 39 CO 0.15 0.15 -0.05 1.19 0.56 0.00 0.00 179.97 181.97 1f2r n PHE 40 N -2.79 0.00 -3.38 3.04 3.72 0.27 -5.02 117.46 113.30 1f2r n PHE 40 Ca -0.05 0.00 -0.17 0.00 -0.05 0.00 0.00 57.45 57.18 1f2r n PHE 40 Cb 0.70 0.00 0.04 0.00 -0.94 0.00 0.00 39.48 39.28 1f2r n PHE 40 CO 0.00 0.00 0.00 1.04 -0.05 0.00 0.00 176.76 177.75 1f2r n GLN 41 N 0.29 -1.62 -3.50 -1.08 6.02 0.46 -4.98 117.38 112.98 1f2r n GLN 41 Ca 0.05 0.91 -0.26 0.00 -0.01 0.00 0.00 57.00 57.69 1f2r n GLN 41 Cb 0.21 -4.99 -0.14 0.00 1.02 0.00 0.00 30.24 26.35 1f2r n GLN 41 CO 0.00 0.00 0.00 -1.17 -1.01 0.00 0.00 177.06 174.88 1f2r s LEU 42 N -5.30 0.34 0.89 1.08 0.20 -0.84 -5.01 118.68 110.04 1f2r s LEU 42 Ca 0.30 -1.16 -0.11 0.00 0.69 0.00 0.00 54.13 53.85 1f2r s LEU 42 Cb -0.07 -0.13 0.13 0.00 -0.43 0.00 0.00 46.19 45.69 1f2r s LEU 42 CO 0.79 -0.43 1.16 -2.65 -0.29 0.00 0.00 176.35 174.94 1f2r n PRO 43 N 5.26 -0.29 -0.02 0.98 -0.01 -1.26 -4.31 135.00 135.35 1f2r n PRO 43 Ca -0.05 -0.01 -0.13 0.00 -0.01 0.00 0.00 63.50 63.30 1f2r n PRO 43 Cb 0.43 -2.40 -0.10 0.00 -0.01 0.00 0.00 33.50 31.42 1f2r n PRO 43 CO 0.00 0.00 0.00 0.52 -0.01 0.00 0.00 175.50 176.01 1f2r h MET 44 N -1.64 -0.03 0.72 -0.52 2.86 -1.93 -2.48 114.93 111.91 1f2r h MET 44 Ca -0.44 0.00 -0.04 0.00 -2.06 0.00 0.00 59.70 57.17 1f2r h MET 44 Cb 1.28 0.01 0.01 0.00 0.06 0.00 0.00 31.60 32.95 1f2r h MET 44 CO 0.42 0.60 -0.35 -1.00 1.06 0.00 0.00 176.91 177.65 1f2r h PRO 45 N -0.71 -0.93 -1.62 -0.22 0.14 -2.02 -3.08 132.00 123.55 1f2r h PRO 45 Ca -0.00 0.06 -0.24 0.00 0.14 0.00 0.00 66.00 65.96 1f2r h PRO 45 Cb 0.65 0.21 -0.10 0.00 0.14 0.00 0.00 31.00 31.90 1f2r h PRO 45 CO 0.01 -0.62 0.31 0.41 0.14 0.00 0.00 178.00 178.25 1f2r n GLY 46 N -0.93 3.68 0.00 1.56 0.00 -1.26 -4.78 105.19 103.47 1f2r n GLY 46 Ca -0.12 -0.81 0.00 0.00 0.00 0.00 0.00 46.02 45.09 1f2r n GLY 46 CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76 1f2r n SER 47 N 0.61 0.00 -0.44 1.61 7.64 -0.93 -4.15 113.62 117.95 1f2r n SER 47 Ca 0.23 0.00 0.00 0.00 1.01 0.00 0.00 58.87 60.11 1f2r n SER 47 Cb 0.57 0.00 0.00 0.00 -1.01 0.00 0.00 64.21 63.77 1f2r n SER 47 CO 0.00 0.00 0.00 0.54 -3.01 0.00 0.00 175.04 172.57 1f2r n ARG 48 N -0.06 0.87 -4.41 1.43 1.74 0.24 -3.55 116.66 112.92 1f2r n ARG 48 Ca 0.00 0.00 -0.21 0.00 -0.77 0.00 0.00 57.85 56.87 1f2r n ARG 48 Cb 0.00 0.00 -0.09 0.00 -1.02 0.00 0.00 32.46 31.35 1f2r n ARG 48 CO 0.00 0.00 0.00 -0.51 -1.52 0.00 0.00 177.63 175.60 1f2r s LEU 49 N 0.00 1.85 -0.14 0.55 1.02 -1.00 -1.71 118.68 119.24 1f2r s LEU 49 Ca 0.00 -1.57 -0.06 0.00 0.02 0.00 0.00 54.13 52.52 1f2r s LEU 49 Cb 0.00 0.02 0.06 0.00 0.02 0.00 0.00 46.19 46.29 1f2r s LEU 49 CO 0.00 -0.86 0.32 0.00 0.02 0.00 0.00 176.35 175.83 1f2r n LEU 51 N 4.75 1.24 0.00 0.00 4.77 0.53 -2.18 117.00 126.12 1f2r n LEU 51 Ca -0.17 1.13 0.07 0.00 -0.03 0.00 0.00 56.01 57.02 1f2r n LEU 51 Cb 0.52 -1.14 0.44 0.00 -2.33 0.00 0.00 43.42 40.90 1f2r n LEU 51 CO 0.07 -1.31 0.77 0.00 -1.33 0.00 0.00 177.39 175.59 1f2r n TYR 52 N 2.03 0.00 -0.06 -1.77 9.36 -0.34 -0.76 117.16 125.62 1f2r n TYR 52 Ca 0.18 0.00 -0.22 0.00 3.32 0.00 0.00 57.90 61.18 1f2r n TYR 52 Cb 0.19 0.00 -0.12 0.00 -0.63 0.00 0.00 39.34 38.77 1f2r n TYR 52 CO 0.00 0.00 0.00 1.49 0.22 0.00 0.00 176.86 178.57 1f2r h GLU 53 N 0.00 0.10 0.00 2.98 4.57 -1.87 -3.33 114.58 117.04 1f2r h GLU 53 Ca 0.00 -0.17 0.00 0.00 -1.18 0.00 0.00 59.36 58.01 1f2r h GLU 53 Cb 0.00 0.06 0.00 0.00 -0.16 0.00 0.00 28.75 28.65 1f2r h GLU 53 CO 0.00 1.08 -0.25 -3.47 -1.18 0.00 0.00 179.01 175.19 1f2r n ASP 54 N -4.13 0.11 -2.61 1.04 2.03 -1.24 -2.65 116.55 109.12 1f2r n ASP 54 Ca -0.31 -1.58 -0.11 0.00 0.52 0.00 0.00 54.79 53.31 1f2r n ASP 54 Cb 0.80 -0.11 0.06 0.00 -0.72 0.00 0.00 41.12 41.14 1f2r n ASP 54 CO 0.00 0.00 0.00 0.61 -1.92 0.00 0.00 177.20 175.89 1f2r n GLY 55 N -0.05 -0.17 3.57 0.27 0.00 0.06 -4.60 105.19 104.26 1f2r n GLY 55 Ca 0.00 -0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.62 1f2r n GLY 55 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1f2r s THR 56 N -3.24 5.13 0.12 2.61 2.01 -1.20 -4.74 115.64 116.32 1f2r s THR 56 Ca 0.07 0.31 -0.35 0.00 0.31 0.00 0.00 61.69 62.04 1f2r s THR 56 Cb -0.01 -3.82 -0.14 0.00 0.01 0.00 0.00 72.50 68.53 1f2r s THR 56 CO 0.48 -0.05 1.55 -0.62 -0.69 0.00 0.00 174.62 175.30 1f2r n GLU 57 N 5.47 1.94 -4.36 4.92 1.02 -1.26 -0.35 120.64 128.02 1f2r n GLU 57 Ca -0.08 0.70 -0.20 0.00 -0.02 0.00 0.00 57.16 57.56 1f2r n GLU 57 Cb 0.50 -2.45 -0.13 0.00 -0.02 0.00 0.00 31.44 29.34 1f2r n GLU 57 CO 0.00 0.00 0.00 0.08 1.18 0.00 0.00 177.13 178.39 1f2r s VAL 58 N 1.09 1.12 0.00 2.62 1.01 0.43 -4.86 120.40 121.81 1f2r s VAL 58 Ca 0.81 -1.00 0.00 0.00 0.00 0.00 0.00 61.98 61.79 1f2r s VAL 58 Cb -0.74 -1.01 0.00 0.00 0.00 0.00 0.00 36.38 34.63 1f2r s VAL 58 CO 0.41 0.01 0.00 0.41 0.00 0.00 0.00 175.10 175.93 1f2r n THR 59 N 1.90 0.00 0.95 3.92 -1.04 -1.26 -2.39 114.28 116.36 1f2r n THR 59 Ca -0.18 0.00 0.06 0.00 -2.04 0.00 0.00 64.05 61.89 1f2r n THR 59 Cb 0.55 0.00 0.19 0.00 -1.82 0.00 0.00 70.33 69.25 1f2r n THR 59 CO 0.00 0.00 0.00 -0.90 -0.64 0.00 0.00 175.07 173.53 1f2r n ASP 60 N 0.00 1.82 0.00 8.00 5.68 -1.26 -2.61 116.55 128.18 1f2r n ASP 60 Ca 0.00 -1.95 0.00 0.00 -0.50 0.00 0.00 54.79 52.34 1f2r n ASP 60 Cb 0.00 -0.21 0.00 0.00 -1.14 0.00 0.00 41.12 39.77 1f2r n ASP 60 CO 0.00 0.00 0.00 -0.67 -1.33 0.00 0.00 177.20 175.20 1f2r n ASP 61 N 0.48 1.97 -0.05 -1.12 -0.08 -1.26 -4.73 116.55 111.77 1f2r n ASP 61 Ca 0.12 -0.22 0.01 0.00 -1.51 0.00 0.00 54.79 53.19 1f2r n ASP 61 Cb 0.30 0.84 0.02 0.00 2.34 0.00 0.00 41.12 44.61 1f2r n ASP 61 CO 0.00 0.00 0.00 0.00 0.12 0.00 0.00 177.20 177.32 1f2r h PHE 63 N 0.00 0.32 0.00 0.00 3.04 -1.79 -3.25 116.94 115.26 1f2r h PHE 63 Ca 0.00 -0.21 0.00 0.00 3.98 0.00 0.00 57.97 61.74 1f2r h PHE 63 Cb 0.80 -0.02 0.00 0.00 2.56 0.00 0.00 35.95 39.29 1f2r h PHE 63 CO 0.01 1.10 0.00 -1.00 -2.02 0.00 0.00 178.31 176.40 1f2r h PRO 64 N -0.55 0.00 0.00 6.41 0.14 -1.87 -1.58 132.00 134.55 1f2r h PRO 64 Ca -0.06 0.00 0.00 0.00 0.14 0.00 0.00 66.00 66.08 1f2r h PRO 64 Cb 1.25 0.00 0.00 0.00 0.14 0.00 0.00 31.00 32.39 1f2r h PRO 64 CO 0.08 0.00 0.00 0.78 0.14 0.00 0.00 178.00 179.00 1f2r h GLY 65 N 0.67 0.00 -2.99 1.56 0.00 -1.88 -3.42 103.07 97.01 1f2r h GLY 65 Ca 0.00 0.00 -0.51 0.00 0.00 0.00 0.00 47.33 46.82 1f2r h GLY 65 CO 0.00 0.00 -0.04 1.08 0.00 0.00 0.00 176.54 177.58 1f2r s LEU 66 N -5.47 4.00 0.00 3.11 1.43 -0.60 -5.08 118.68 116.07 1f2r s LEU 66 Ca -0.01 0.91 0.00 0.00 -1.03 0.00 0.00 54.13 54.00 1f2r s LEU 66 Cb 0.10 -3.74 0.00 0.00 0.03 0.00 0.00 46.19 42.58 1f2r s LEU 66 CO 0.40 -0.25 0.00 -2.65 0.23 0.00 0.00 176.35 174.08 1f2r n PRO 67 N -0.91 1.03 0.00 1.29 -0.01 -1.26 -4.96 135.00 130.18 1f2r n PRO 67 Ca 0.00 0.00 0.00 0.00 -0.01 0.00 0.00 63.50 63.49 1f2r n PRO 67 Cb 0.54 0.00 0.00 0.00 -0.01 0.00 0.00 33.50 34.03 1f2r n PRO 67 CO 0.00 0.00 0.00 0.09 -0.01 0.00 0.00 175.50 175.58 1f2r n ASN 68 N 0.00 0.00 -1.79 2.55 4.13 -1.26 -4.26 115.26 114.63 1f2r n ASN 68 Ca 0.00 0.00 -0.02 0.00 1.68 0.00 0.00 54.58 56.24 1f2r n ASN 68 Cb 0.00 0.00 -0.03 0.00 -1.54 0.00 0.00 39.78 38.21 1f2r n ASN 68 CO 0.00 0.00 0.00 -0.90 0.28 0.00 0.00 177.26 176.64 1f2r n ASP 69 N 0.00 -0.81 -4.66 6.41 5.68 0.49 -4.48 116.55 119.17 1f2r n ASP 69 Ca 0.00 -0.52 -0.41 0.00 -0.50 0.00 0.00 54.79 53.36 1f2r n ASP 69 Cb 0.00 -0.25 -0.05 0.00 -1.14 0.00 0.00 41.12 39.68 1f2r n ASP 69 CO 0.00 0.00 0.00 0.00 -1.33 0.00 0.00 177.20 175.87 1f2r s ALA 70 N 0.00 3.53 -0.89 2.12 0.00 -0.90 -4.63 121.76 121.00 1f2r s ALA 70 Ca 0.14 -0.11 -0.25 0.00 0.00 0.00 0.00 51.96 51.74 1f2r s ALA 70 Cb -0.09 -3.12 -0.18 0.00 0.00 0.00 0.00 23.12 19.73 1f2r s ALA 70 CO 0.06 -0.62 2.28 0.39 0.00 0.00 0.00 175.76 177.87 1f2r n GLU 71 N 5.19 0.37 -2.95 0.00 1.02 -1.26 -2.50 120.64 120.50 1f2r n GLU 71 Ca 0.02 -1.12 -0.43 0.00 -0.02 0.00 0.00 57.16 55.61 1f2r n GLU 71 Cb 0.49 -3.68 -0.05 0.00 -0.02 0.00 0.00 31.44 28.19 1f2r n GLU 71 CO 0.00 0.00 0.00 -0.51 1.18 0.00 0.00 177.13 177.80 1f2r s LEU 72 N 15.20 4.52 0.49 -4.62 1.02 -0.69 -1.20 118.68 133.39 1f2r s LEU 72 Ca 0.89 -0.76 -0.10 0.00 0.02 0.00 0.00 54.13 54.18 1f2r s LEU 72 Cb -0.12 -2.57 -0.05 0.00 0.02 0.00 0.00 46.19 43.46 1f2r s LEU 72 CO 0.13 -1.18 0.85 -0.22 0.02 0.00 0.00 176.35 175.95 1f2r s LEU 73 N 3.51 3.62 0.08 1.79 2.96 -0.93 -1.45 118.68 128.27 1f2r s LEU 73 Ca 0.22 1.18 -0.28 0.00 -0.22 0.00 0.00 54.13 55.03 1f2r s LEU 73 Cb -0.16 -4.12 -0.06 0.00 0.50 0.00 0.00 46.19 42.35 1f2r s LEU 73 CO 0.14 -0.57 0.90 -0.22 -1.32 0.00 0.00 176.35 175.27 1f2r s LEU 74 N -4.43 4.48 -0.26 -0.68 2.96 -0.13 -2.27 118.68 118.35 1f2r s LEU 74 Ca 0.52 1.67 -0.03 0.00 -0.22 0.00 0.00 54.13 56.07 1f2r s LEU 74 Cb -0.10 -3.47 0.15 0.00 0.50 0.00 0.00 46.19 43.26 1f2r s LEU 74 CO 0.40 -0.05 0.44 -0.22 -1.32 0.00 0.00 176.35 175.61 1f2r s LEU 75 N 0.03 -0.85 0.67 -0.68 0.20 -0.70 -4.61 118.68 112.75 1f2r s LEU 75 Ca 0.44 0.47 -0.06 0.00 0.69 0.00 0.00 54.13 55.68 1f2r s LEU 75 Cb -0.22 1.44 0.05 0.00 -0.43 0.00 0.00 46.19 47.02 1f2r s LEU 75 CO 0.28 -0.28 0.98 0.42 -0.29 0.00 0.00 176.35 177.45 1f2r s THR 76 N 2.64 2.64 -0.82 3.68 -4.23 -1.26 -0.60 115.64 117.70 1f2r s THR 76 Ca 0.14 -0.21 -0.24 0.00 -1.18 0.00 0.00 61.69 60.20 1f2r s THR 76 Cb -0.15 -3.12 -0.17 0.00 1.34 0.00 0.00 72.50 70.40 1f2r s THR 76 CO -0.17 -0.12 1.90 0.00 -0.54 0.00 0.00 174.62 175.68 1f2r n ALA 77 N -2.81 2.32 0.00 3.99 0.00 -1.26 -2.73 120.51 120.02 1f2r n ALA 77 Ca 0.07 -3.07 0.00 0.00 0.00 0.00 0.00 53.44 50.44 1f2r n ALA 77 Cb 0.60 -3.58 0.00 0.00 0.00 0.00 0.00 19.45 16.46 1f2r n ALA 77 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1f2r n GLY 78 N 5.09 0.18 3.67 0.00 0.00 -1.26 -5.03 105.19 107.84 1f2r n GLY 78 Ca 0.47 -0.01 -0.29 0.00 0.00 0.00 0.00 46.02 46.19 1f2r n GLY 78 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 1f2r s GLU 79 N 0.00 2.47 0.06 1.61 2.02 -1.10 -5.13 118.70 118.63 1f2r s GLU 79 Ca 0.00 -0.92 0.06 0.00 0.02 0.00 0.00 54.97 54.13 1f2r s GLU 79 Cb 0.00 -2.47 -0.03 0.00 0.10 0.00 0.00 34.13 31.73 1f2r s GLU 79 CO 0.00 0.52 -0.16 0.95 0.02 0.00 0.00 175.26 176.59 1f2r s THR 80 N -1.40 1.27 -0.39 3.63 -4.23 -1.26 -4.41 115.64 108.85 1f2r s THR 80 Ca 0.26 -1.23 -0.21 0.00 -1.18 0.00 0.00 61.69 59.32 1f2r s THR 80 Cb -0.11 -1.17 0.01 0.00 1.34 0.00 0.00 72.50 72.57 1f2r s THR 80 CO 0.18 -0.07 0.69 0.86 -0.54 0.00 0.00 174.62 175.74 1f2r s TRP 81 N -1.06 3.10 0.24 3.99 -0.00 -1.26 -4.94 118.94 119.01 1f2r s TRP 81 Ca 0.02 0.27 -0.10 0.00 -0.00 0.00 0.00 56.10 56.29 1f2r s TRP 81 Cb -0.09 -3.32 0.36 0.00 -0.00 0.00 0.00 33.47 30.42 1f2r s TRP 81 CO 0.02 -0.76 1.61 1.25 -0.00 0.00 0.00 176.95 179.07 1f2r h HIS 82 N 8.64 -0.31 0.00 5.86 -0.00 -1.94 -3.40 115.15 123.99 1f2r h HIS 82 Ca -0.26 0.07 0.00 0.00 -0.00 0.00 0.00 60.37 60.18 1f2r h HIS 82 Cb 1.10 0.26 0.00 0.00 -0.00 0.00 0.00 27.41 28.77 1f2r h HIS 82 CO 0.76 -0.32 0.00 0.41 -0.00 0.00 0.00 177.93 178.79 1f2r n GLY 83 N -1.49 3.37 3.53 5.26 0.00 -1.26 -4.52 105.19 110.08 1f2r n GLY 83 Ca 0.12 -1.76 -0.17 0.00 0.00 0.00 0.00 46.02 44.21 1f2r n GLY 83 CO 0.00 0.00 0.00 2.98 0.00 0.00 0.00 173.32 176.30 1f2r n TYR 84 N -0.98 0.60 -3.04 1.61 9.36 -1.08 -4.87 117.16 118.77 1f2r n TYR 84 Ca 0.00 -0.01 -0.31 0.00 3.32 0.00 0.00 57.90 60.90 1f2r n TYR 84 Cb 0.00 -1.60 -0.05 0.00 -0.63 0.00 0.00 39.34 37.07 1f2r n TYR 84 CO 0.00 0.00 0.00 0.08 0.22 0.00 0.00 176.86 177.16 1f2r s VAL 85 N 7.72 4.77 -0.33 2.97 1.01 -1.26 -4.89 120.40 130.39 1f2r s VAL 85 Ca 1.11 0.71 0.07 0.00 0.00 0.00 0.00 61.98 63.87 1f2r s VAL 85 Cb -0.47 -3.67 0.48 0.00 0.00 0.00 0.00 36.38 32.72 1f2r s VAL 85 CO 0.31 -0.34 1.44 -0.24 0.00 0.00 0.00 175.10 176.28 1f2r n SER 86 N -0.82 3.56 -0.68 3.32 2.88 -1.26 -5.24 113.62 115.38 1f2r n SER 86 Ca 0.02 -3.80 0.13 0.00 -1.33 0.00 0.00 58.87 53.90 1f2r n SER 86 Cb 0.53 -0.60 0.35 0.00 -0.75 0.00 0.00 64.21 63.75 1f2r n SER 86 CO 0.00 0.00 0.00 -0.67 -1.23 0.00 0.00 175.04 173.14