#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1ibx n LEU 2 N 0.00 0.00 -2.11 4.03 4.77 -1.26 -5.02 117.00 117.41 1ibx n LEU 2 Ca 0.00 -0.89 -0.24 0.00 -0.03 0.00 0.00 56.01 54.86 1ibx n LEU 2 Cb 0.00 0.33 0.13 0.00 -2.33 0.00 0.00 43.42 41.54 1ibx n LEU 2 CO 0.00 -0.14 1.25 1.67 -1.33 0.00 0.00 177.39 178.84 1ibx n GLN 3 N -0.25 2.19 -4.29 3.23 0.00 -1.26 -4.92 117.38 112.09 1ibx n GLN 3 Ca -0.01 -2.67 -0.22 0.00 -0.00 0.00 0.00 57.00 54.10 1ibx n GLN 3 Cb 0.17 -2.05 -0.07 0.00 0.00 0.00 0.00 30.24 28.29 1ibx n GLN 3 CO 0.00 0.00 0.00 1.63 0.00 0.00 0.00 177.06 178.69 1ibx n LYS 4 N -0.82 0.48 -1.38 3.69 5.02 -1.26 -5.14 118.16 118.75 1ibx n LYS 4 Ca 0.52 -3.35 -0.31 0.00 -2.02 0.00 0.00 58.31 53.15 1ibx n LYS 4 Cb 1.25 2.31 0.08 0.00 -0.02 0.00 0.00 35.03 38.64 1ibx n LYS 4 CO 0.00 0.00 0.00 -1.25 -0.52 0.00 0.00 177.40 175.63 1ibx s PRO 5 N -3.43 2.50 0.15 1.97 0.04 -1.26 -4.61 135.00 130.36 1ibx s PRO 5 Ca 0.31 1.11 0.02 0.00 0.04 0.00 0.00 61.00 62.47 1ibx s PRO 5 Cb 0.01 -1.93 -0.04 0.00 0.04 0.00 0.00 34.50 32.59 1ibx s PRO 5 CO 0.22 -1.45 0.29 0.21 0.04 0.00 0.00 177.00 176.31 1ibx s LYS 6 N -4.91 3.45 -0.30 4.56 2.20 -0.85 -4.71 119.74 119.17 1ibx s LYS 6 Ca 0.60 -0.57 -0.27 0.00 -0.36 0.00 0.00 55.97 55.38 1ibx s LYS 6 Cb -0.16 -2.96 0.01 0.00 -1.51 0.00 0.00 37.83 33.21 1ibx s LYS 6 CO 0.55 0.52 0.98 -1.54 -0.36 0.00 0.00 175.35 175.50 1ibx s SER 7 N -3.17 6.87 -0.19 1.43 1.04 -1.26 -2.23 113.70 116.18 1ibx s SER 7 Ca 0.35 0.97 -0.05 0.00 0.48 0.00 0.00 55.95 57.70 1ibx s SER 7 Cb -0.11 -2.50 0.07 0.00 0.10 0.00 0.00 66.02 63.58 1ibx s SER 7 CO 0.28 -0.77 0.11 0.54 0.98 0.00 0.00 173.24 174.39 1ibx s VAL 8 N 3.37 -0.11 0.61 5.02 0.11 -1.22 -4.01 120.40 124.16 1ibx s VAL 8 Ca 0.41 -0.25 -0.06 0.00 -2.93 0.00 0.00 61.98 59.15 1ibx s VAL 8 Cb -0.13 -0.64 0.01 0.00 -1.53 0.00 0.00 36.38 34.09 1ibx s VAL 8 CO 0.13 -0.34 0.92 -0.54 -3.33 0.00 0.00 175.10 171.94 1ibx s LYS 9 N 2.15 2.84 0.25 1.54 1.02 -1.26 -2.52 119.74 123.77 1ibx s LYS 9 Ca 0.04 -0.01 0.03 0.00 0.02 0.00 0.00 55.97 56.05 1ibx s LYS 9 Cb -0.16 -2.25 -0.05 0.00 -0.52 0.00 0.00 37.83 34.85 1ibx s LYS 9 CO -0.14 -0.77 0.02 -1.17 -0.92 0.00 0.00 175.35 172.38 1ibx s LEU 10 N -5.03 2.10 0.09 3.17 0.20 0.39 -3.56 118.68 116.03 1ibx s LEU 10 Ca 0.55 -1.27 -0.07 0.00 0.69 0.00 0.00 54.13 54.02 1ibx s LEU 10 Cb -0.11 -0.24 -0.01 0.00 -0.43 0.00 0.00 46.19 45.41 1ibx s LEU 10 CO 0.45 -0.56 0.16 -0.60 -0.29 0.00 0.00 176.35 175.51 1ibx s ARG 11 N -3.90 0.82 0.19 1.98 3.52 -0.70 -2.89 118.95 117.99 1ibx s ARG 11 Ca 0.31 -1.02 0.05 0.00 -0.13 0.00 0.00 55.73 54.94 1ibx s ARG 11 Cb 0.07 0.32 -0.05 0.00 -1.56 0.00 0.00 34.95 33.73 1ibx s ARG 11 CO 0.11 -0.25 -0.09 0.00 -0.81 0.00 0.00 175.30 174.26 1ibx s ALA 12 N -3.88 1.78 -0.10 6.12 0.00 -1.04 -1.72 121.76 122.93 1ibx s ALA 12 Ca 0.06 -1.64 -0.10 0.00 0.00 0.00 0.00 51.96 50.29 1ibx s ALA 12 Cb 0.05 0.12 -0.05 0.00 0.00 0.00 0.00 23.12 23.25 1ibx s ALA 12 CO -0.10 -0.08 -0.21 1.28 0.00 0.00 0.00 175.76 176.65 1ibx n LEU 13 N -0.34 1.45 -0.09 0.00 4.77 -1.25 -4.61 117.00 116.93 1ibx n LEU 13 Ca -0.08 0.23 -0.14 0.00 -0.03 0.00 0.00 56.01 55.99 1ibx n LEU 13 Cb 0.61 -0.54 -0.10 0.00 -2.33 0.00 0.00 43.42 41.06 1ibx n LEU 13 CO 0.35 -0.21 0.50 -0.09 -1.33 0.00 0.00 177.39 176.61 1ibx h ARG 14 N -0.58 -0.44 -5.96 3.23 2.43 -1.99 -3.40 114.38 107.67 1ibx h ARG 14 Ca -0.13 0.03 -0.67 0.00 -0.81 0.00 0.00 59.98 58.40 1ibx h ARG 14 Cb 0.84 0.10 -0.11 0.00 -0.42 0.00 0.00 29.97 30.37 1ibx h ARG 14 CO -0.08 -0.29 -0.58 0.45 -1.51 0.00 0.00 179.97 177.95 1ibx s SER 15 N -4.95 5.58 -1.12 -3.80 0.15 -1.26 -5.02 113.70 103.29 1ibx s SER 15 Ca -0.14 0.17 -0.22 0.00 0.70 0.00 0.00 55.95 56.46 1ibx s SER 15 Cb 0.08 -1.61 -0.01 0.00 -1.71 0.00 0.00 66.02 62.77 1ibx s SER 15 CO 0.60 0.32 1.79 -2.16 1.20 0.00 0.00 173.24 174.99 1ibx s PRO 16 N -1.37 3.12 0.04 5.44 0.04 -1.26 -4.55 135.00 136.45 1ibx s PRO 16 Ca 0.19 -1.17 -0.08 0.00 0.04 0.00 0.00 61.00 59.97 1ibx s PRO 16 Cb -0.12 -5.30 -0.00 0.00 0.04 0.00 0.00 34.50 29.12 1ibx s PRO 16 CO 0.09 -3.04 0.15 0.50 0.04 0.00 0.00 177.00 174.74 1ibx s ARG 17 N 5.71 0.65 -0.20 4.56 3.52 -1.26 -5.07 118.95 126.86 1ibx s ARG 17 Ca 0.60 -0.69 -0.05 0.00 -0.13 0.00 0.00 55.73 55.47 1ibx s ARG 17 Cb -0.01 0.26 0.07 0.00 -1.56 0.00 0.00 34.95 33.72 1ibx s ARG 17 CO 0.04 -0.18 0.11 -1.59 -0.81 0.00 0.00 175.30 172.87 1ibx s LYS 18 N -2.62 0.10 -0.06 5.12 -2.85 -1.26 -2.48 119.74 115.68 1ibx s LYS 18 Ca -0.05 -0.16 -0.18 0.00 -1.00 0.00 0.00 55.97 54.58 1ibx s LYS 18 Cb -0.01 -1.63 -0.05 0.00 -2.06 0.00 0.00 37.83 34.08 1ibx s LYS 18 CO -0.04 -0.75 0.51 -0.06 0.10 0.00 0.00 175.35 175.11 1ibx s PHE 19 N 2.14 3.61 -0.18 1.78 0.40 -1.14 -4.85 117.98 119.74 1ibx s PHE 19 Ca 0.04 1.02 0.01 0.00 -0.60 0.00 0.00 56.93 57.40 1ibx s PHE 19 Cb -0.16 -2.53 0.02 0.00 0.51 0.00 0.00 43.02 40.85 1ibx s PHE 19 CO -0.16 0.31 -0.18 0.20 0.70 0.00 0.00 175.22 176.09 1ibx s GLY 20 N 0.05 1.41 -0.04 4.36 0.00 -1.26 0.15 107.32 111.99 1ibx s GLY 20 Ca 0.28 -1.20 -0.02 0.00 0.00 0.00 0.00 44.72 43.78 1ibx s GLY 20 CO 0.13 0.27 0.07 0.14 0.00 0.00 0.00 173.10 173.72 1ibx s VAL 21 N 1.27 -0.11 -0.55 1.40 1.01 -1.05 -4.97 120.40 117.40 1ibx s VAL 21 Ca 0.04 0.32 -0.12 0.00 0.00 0.00 0.00 61.98 62.22 1ibx s VAL 21 Cb -0.13 -0.16 0.14 0.00 0.00 0.00 0.00 36.38 36.23 1ibx s VAL 21 CO -0.11 0.13 0.46 0.00 0.00 0.00 0.00 175.10 175.59 1ibx s ALA 22 N 1.73 3.59 0.22 5.51 0.00 -1.26 -3.38 121.76 128.17 1ibx s ALA 22 Ca -0.01 -2.67 0.12 0.00 0.00 0.00 0.00 51.96 49.39 1ibx s ALA 22 Cb -0.12 -3.08 -0.05 0.00 0.00 0.00 0.00 23.12 19.87 1ibx s ALA 22 CO -0.04 -2.01 -0.23 0.20 0.00 0.00 0.00 175.76 173.69 1ibx s GLY 23 N 2.87 1.76 0.35 0.00 0.00 -0.95 -4.40 107.32 106.96 1ibx s GLY 23 Ca 0.07 -1.71 0.20 0.00 0.00 0.00 0.00 44.72 43.28 1ibx s GLY 23 CO -0.00 -1.76 1.49 -0.09 0.00 0.00 0.00 173.10 172.74 1ibx h ARG 24 N 2.93 0.00 -5.85 2.90 2.43 -1.84 -2.27 114.38 112.68 1ibx h ARG 24 Ca -0.44 0.00 -0.60 0.00 -0.81 0.00 0.00 59.98 58.13 1ibx h ARG 24 Cb 1.22 0.00 -0.12 0.00 -0.42 0.00 0.00 29.97 30.65 1ibx h ARG 24 CO 0.51 0.19 0.69 0.45 -1.51 0.00 0.00 179.97 180.31 1ibx s SER 25 N -6.24 6.25 0.00 -3.80 0.15 -1.26 -4.82 113.70 103.98 1ibx s SER 25 Ca 0.05 -0.58 0.00 0.00 0.70 0.00 0.00 55.95 56.12 1ibx s SER 25 Cb 0.06 -2.46 0.00 0.00 -1.71 0.00 0.00 66.02 61.91 1ibx s SER 25 CO 0.71 -1.45 0.34 0.00 1.20 0.00 0.00 173.24 174.03 1ibx n GLN 27 N -0.43 -0.06 0.19 0.00 7.27 -1.13 -0.85 117.38 122.38 1ibx n GLN 27 Ca 0.00 1.23 -0.08 0.00 0.07 0.00 0.00 57.00 58.22 1ibx n GLN 27 Cb 0.00 -2.16 -0.04 0.00 2.41 0.00 0.00 30.24 30.46 1ibx n GLN 27 CO 0.00 0.00 0.00 0.93 0.07 0.00 0.00 177.06 178.06 1ibx h GLU 28 N 0.00 -0.47 -0.95 3.69 5.08 -1.82 -1.44 114.58 118.66 1ibx h GLU 28 Ca 0.71 0.03 0.10 0.00 -1.00 0.00 0.00 59.36 59.20 1ibx h GLU 28 Cb 1.82 0.11 -0.12 0.00 0.50 0.00 0.00 28.75 31.05 1ibx h GLU 28 CO -0.70 -0.32 -0.55 0.28 -1.00 0.00 0.00 179.01 176.73 1ibx h VAL 29 N -0.50 0.00 -0.12 3.13 2.07 0.12 0.63 116.25 121.59 1ibx h VAL 29 Ca -0.05 0.00 0.04 0.00 0.82 0.00 0.00 66.70 67.51 1ibx h VAL 29 Cb 0.38 0.00 -0.06 0.00 -1.52 0.00 0.00 31.29 30.09 1ibx h VAL 29 CO 0.08 0.00 -0.41 -0.07 0.02 0.00 0.00 177.57 177.20 1ibx h LEU 30 N -0.03 -1.27 -0.86 2.57 3.38 -1.47 -0.84 115.31 116.78 1ibx h LEU 30 Ca 0.19 0.17 0.19 0.00 0.09 0.00 0.00 57.88 58.52 1ibx h LEU 30 Cb 0.46 0.52 -0.11 0.00 0.09 0.00 0.00 40.66 41.61 1ibx h LEU 30 CO -0.92 -0.42 0.39 -0.09 0.09 0.00 0.00 178.44 177.48 1ibx h ARG 31 N -0.49 0.45 0.00 1.13 2.43 0.17 0.29 114.38 118.36 1ibx h ARG 31 Ca 0.07 -0.03 0.00 0.00 -0.81 0.00 0.00 59.98 59.22 1ibx h ARG 31 Cb 0.62 -0.10 0.00 0.00 -0.42 0.00 0.00 29.97 30.07 1ibx h ARG 31 CO -0.38 0.30 0.00 1.63 -1.51 0.00 0.00 179.97 180.01 1ibx n LYS 32 N -4.99 0.00 -0.40 0.20 5.02 -0.01 0.35 118.16 118.33 1ibx n LYS 32 Ca 0.20 0.00 0.33 0.00 -2.02 0.00 0.00 58.31 56.81 1ibx n LYS 32 Cb 0.56 -0.85 0.60 0.00 -0.02 0.00 0.00 35.03 35.32 1ibx n LYS 32 CO 0.00 0.00 0.00 0.78 -0.52 0.00 0.00 177.40 177.66 1ibx h GLY 33 N 0.00 1.46 0.93 0.72 0.00 -1.45 0.53 103.07 105.27 1ibx h GLY 33 Ca 0.00 -0.15 -0.05 0.00 0.00 0.00 0.00 47.33 47.13 1ibx h GLY 33 CO 0.00 -0.40 0.04 0.00 0.00 0.00 0.00 176.54 176.18 1ibx h LEU 35 N 0.50 0.00 -0.63 0.00 3.38 0.49 -0.64 115.31 118.41 1ibx h LEU 35 Ca 0.12 0.00 -0.11 0.00 0.09 0.00 0.00 57.88 57.98 1ibx h LEU 35 Cb 0.41 0.00 -0.02 0.00 0.09 0.00 0.00 40.66 41.14 1ibx h LEU 35 CO 0.01 0.01 -0.51 -0.09 0.09 0.00 0.00 178.44 177.95 1ibx h ARG 36 N 0.00 0.00 0.00 1.13 9.65 -1.05 -2.88 114.38 121.23 1ibx h ARG 36 Ca -0.00 0.00 0.00 0.00 -1.10 0.00 0.00 59.98 58.88 1ibx h ARG 36 Cb 0.01 0.00 0.00 0.00 -1.39 0.00 0.00 29.97 28.59 1ibx h ARG 36 CO 0.00 0.51 0.00 1.19 2.80 0.00 0.00 179.97 184.47 1ibx n PHE 37 N -3.50 0.09 -3.36 2.20 3.01 -0.25 -4.92 117.46 110.73 1ibx n PHE 37 Ca 0.00 0.03 -0.18 0.00 1.01 0.00 0.00 57.45 58.31 1ibx n PHE 37 Cb 0.62 -0.55 0.07 0.00 -0.01 0.00 0.00 39.48 39.60 1ibx n PHE 37 CO 0.00 0.00 0.00 1.04 1.01 0.00 0.00 176.76 178.81 1ibx n GLN 38 N -1.58 -2.45 -3.92 -1.08 6.02 -1.09 -5.00 117.38 108.28 1ibx n GLN 38 Ca 0.05 0.79 -0.26 0.00 -0.01 0.00 0.00 57.00 57.57 1ibx n GLN 38 Cb 0.26 -5.51 -0.17 0.00 1.02 0.00 0.00 30.24 25.84 1ibx n GLN 38 CO 0.00 0.00 0.00 -0.51 -1.01 0.00 0.00 177.06 175.54 1ibx s LEU 39 N -5.70 1.09 1.07 1.08 1.43 -1.26 -5.08 118.68 111.31 1ibx s LEU 39 Ca 0.42 -0.25 -0.16 0.00 -1.03 0.00 0.00 54.13 53.10 1ibx s LEU 39 Cb -0.07 -0.75 0.23 0.00 0.03 0.00 0.00 46.19 45.63 1ibx s LEU 39 CO 0.76 -0.12 1.17 -2.16 0.23 0.00 0.00 176.35 176.23 1ibx s PRO 40 N 1.68 -0.14 0.00 1.29 0.04 -1.26 -4.80 135.00 131.82 1ibx s PRO 40 Ca 0.04 -0.04 0.00 0.00 0.04 0.00 0.00 61.00 61.03 1ibx s PRO 40 Cb -0.13 -1.72 0.00 0.00 0.04 0.00 0.00 34.50 32.69 1ibx s PRO 40 CO -0.07 -3.00 0.18 -1.91 0.04 0.00 0.00 177.00 172.25 1ibx n GLU 41 N -4.26 0.00 -0.27 4.56 2.13 -1.25 -0.79 120.64 120.76 1ibx n GLU 41 Ca 0.12 0.00 0.08 0.00 0.66 0.00 0.00 57.16 58.01 1ibx n GLU 41 Cb 0.59 -0.67 0.22 0.00 0.27 0.00 0.00 31.44 31.85 1ibx n GLU 41 CO 0.00 0.00 0.00 -0.09 -0.41 0.00 0.00 177.13 176.63 1ibx h ARG 42 N 0.00 0.32 -0.72 5.31 2.43 -2.03 0.33 114.38 120.02 1ibx h ARG 42 Ca 0.00 -0.02 -0.07 0.00 -0.81 0.00 0.00 59.98 59.09 1ibx h ARG 42 Cb 0.00 -0.07 -0.03 0.00 -0.42 0.00 0.00 29.97 29.45 1ibx h ARG 42 CO 0.00 0.21 0.20 0.78 -1.51 0.00 0.00 179.97 179.65 1ibx h GLY 43 N 0.33 1.23 -5.18 2.80 0.00 -1.97 -3.44 103.07 96.84 1ibx h GLY 43 Ca 0.46 -0.75 -0.32 0.00 0.00 0.00 0.00 47.33 46.71 1ibx h GLY 43 CO -0.50 0.70 -0.75 -0.45 0.00 0.00 0.00 176.54 175.54 1ibx s SER 44 N -6.43 0.75 -0.05 0.19 0.15 0.10 -4.66 113.70 103.76 1ibx s SER 44 Ca -0.12 -0.22 0.04 0.00 0.70 0.00 0.00 55.95 56.35 1ibx s SER 44 Cb 0.15 -0.05 -0.00 0.00 -1.71 0.00 0.00 66.02 64.41 1ibx s SER 44 CO 0.85 0.00 -0.18 -0.60 1.20 0.00 0.00 173.24 174.51 1ibx s ARG 45 N -0.51 1.89 0.14 5.44 3.52 0.35 -3.90 118.95 125.88 1ibx s ARG 45 Ca -0.01 -0.64 -0.29 0.00 -0.13 0.00 0.00 55.73 54.67 1ibx s ARG 45 Cb -0.04 -1.62 -0.07 0.00 -1.56 0.00 0.00 34.95 31.66 1ibx s ARG 45 CO -0.00 0.25 0.92 -1.17 -0.81 0.00 0.00 175.30 174.49 1ibx s LEU 46 N 0.05 4.54 0.29 -0.88 1.98 -1.26 -2.35 118.68 121.06 1ibx s LEU 46 Ca -0.05 1.78 0.04 0.00 -2.89 0.00 0.00 54.13 53.01 1ibx s LEU 46 Cb -0.12 -3.53 -0.03 0.00 0.66 0.00 0.00 46.19 43.16 1ibx s LEU 46 CO 0.03 0.02 0.20 0.00 -1.89 0.00 0.00 176.35 174.70 1ibx n LEU 48 N -0.53 0.00 -0.03 0.00 4.77 -1.26 -1.82 117.00 118.13 1ibx n LEU 48 Ca 0.03 -1.45 -0.02 0.00 -0.03 0.00 0.00 56.01 54.54 1ibx n LEU 48 Cb 0.64 -0.97 -0.01 0.00 -2.33 0.00 0.00 43.42 40.76 1ibx n LEU 48 CO 0.33 -1.39 -0.16 0.22 -1.33 0.00 0.00 177.39 175.06 1ibx h TYR 49 N -1.68 0.00 0.26 -1.77 5.03 -1.92 -2.80 116.97 114.09 1ibx h TYR 49 Ca -0.41 0.00 -0.01 0.00 2.58 0.00 0.00 58.73 60.89 1ibx h TYR 49 Cb 1.15 0.00 -0.01 0.00 1.55 0.00 0.00 36.73 39.42 1ibx h TYR 49 CO 0.00 0.00 -0.22 1.49 -1.32 0.00 0.00 178.16 178.11 1ibx h GLU 50 N -0.47 -0.45 0.05 1.82 4.57 -1.89 -3.31 114.58 114.89 1ibx h GLU 50 Ca 0.00 0.03 -0.09 0.00 -1.18 0.00 0.00 59.36 58.12 1ibx h GLU 50 Cb 0.23 0.10 0.01 0.00 -0.16 0.00 0.00 28.75 28.93 1ibx h GLU 50 CO 0.00 -0.30 -0.39 -0.44 -1.18 0.00 0.00 179.01 176.69 1ibx h ASP 51 N -0.47 0.26 -0.59 1.04 3.32 -1.82 -3.26 116.42 114.90 1ibx h ASP 51 Ca -0.03 -0.91 -0.20 0.00 0.02 0.00 0.00 57.03 55.91 1ibx h ASP 51 Cb 0.40 -0.08 -0.08 0.00 0.22 0.00 0.00 39.33 39.79 1ibx h ASP 51 CO -0.01 1.14 -0.18 0.61 -1.72 0.00 0.00 179.24 179.09 1ibx n GLY 52 N 1.44 0.92 0.00 2.75 0.00 -1.05 -4.44 105.19 104.80 1ibx n GLY 52 Ca -0.11 0.00 0.00 0.00 0.00 0.00 0.00 46.02 45.91 1ibx n GLY 52 CO 0.00 0.00 0.00 -0.37 0.00 0.00 0.00 173.32 172.95 1ibx n THR 53 N -2.00 0.00 -3.89 2.61 5.66 -1.26 -4.17 114.28 111.24 1ibx n THR 53 Ca -0.10 0.95 -0.11 0.00 -3.05 0.00 0.00 64.05 61.74 1ibx n THR 53 Cb 0.53 -1.80 -0.13 0.00 -1.55 0.00 0.00 70.33 67.37 1ibx n THR 53 CO 0.00 0.00 0.00 -1.83 -3.05 0.00 0.00 175.07 170.19 1ibx s GLU 54 N -1.54 0.08 -0.12 1.09 -1.05 -1.26 -4.85 118.70 111.04 1ibx s GLU 54 Ca 0.00 -0.10 -0.04 0.00 -0.15 0.00 0.00 54.97 54.69 1ibx s GLU 54 Cb 0.00 0.03 0.05 0.00 -0.44 0.00 0.00 34.13 33.77 1ibx s GLU 54 CO 0.00 -0.01 0.08 -1.17 0.95 0.00 0.00 175.26 175.11 1ibx s LEU 55 N -0.28 0.24 -0.39 1.83 1.98 -0.97 -4.59 118.68 116.50 1ibx s LEU 55 Ca -0.03 -0.31 -0.23 0.00 -2.89 0.00 0.00 54.13 50.67 1ibx s LEU 55 Cb -0.02 -0.17 0.01 0.00 0.66 0.00 0.00 46.19 46.68 1ibx s LEU 55 CO -0.00 -0.31 0.78 0.28 -1.89 0.00 0.00 176.35 175.21 1ibx s THR 56 N 2.16 4.71 0.57 3.68 -1.32 -1.26 -4.56 115.64 119.63 1ibx s THR 56 Ca 0.03 0.73 0.35 0.00 -1.21 0.00 0.00 61.69 61.59 1ibx s THR 56 Cb -0.14 -4.24 0.51 0.00 -1.51 0.00 0.00 72.50 67.11 1ibx s THR 56 CO -0.07 -0.52 1.65 -0.33 -2.21 0.00 0.00 174.62 173.15 1ibx h GLU 57 N 8.63 0.00 -0.14 7.08 5.08 -1.96 -2.48 114.58 130.80 1ibx h GLU 57 Ca -0.25 0.00 0.01 0.00 -1.00 0.00 0.00 59.36 58.13 1ibx h GLU 57 Cb 1.09 0.00 -0.02 0.00 0.50 0.00 0.00 28.75 30.32 1ibx h GLU 57 CO 0.92 0.00 -0.10 0.22 -1.00 0.00 0.00 179.01 179.05 1ibx h ASP 58 N 0.00 -0.37 -4.69 1.42 3.58 -1.91 -3.26 116.42 111.18 1ibx h ASP 58 Ca 0.53 0.05 -0.33 0.00 0.42 0.00 0.00 57.03 57.71 1ibx h ASP 58 Cb 2.46 0.16 -0.15 0.00 1.72 0.00 0.00 39.33 43.52 1ibx h ASP 58 CO -0.01 -0.06 -0.62 -0.47 -2.88 0.00 0.00 179.24 175.21 1ibx s TYR 59 N -3.47 1.45 0.41 0.28 5.04 -0.93 -2.83 117.35 117.30 1ibx s TYR 59 Ca -0.02 -1.21 -0.22 0.00 -2.44 0.00 0.00 57.07 53.18 1ibx s TYR 59 Cb 0.02 -0.83 -0.11 0.00 0.35 0.00 0.00 41.96 41.39 1ibx s TYR 59 CO 0.11 -0.38 0.95 -0.06 -1.34 0.00 0.00 175.55 174.83 1ibx s PHE 60 N -3.82 3.39 -1.13 4.97 0.08 -1.26 -4.53 117.98 115.67 1ibx s PHE 60 Ca 0.37 1.65 -0.22 0.00 0.12 0.00 0.00 56.93 58.85 1ibx s PHE 60 Cb 0.08 -2.87 -0.03 0.00 -0.57 0.00 0.00 43.02 39.63 1ibx s PHE 60 CO 0.13 -0.04 1.84 -1.25 -0.10 0.00 0.00 175.22 175.79 1ibx s PRO 61 N -2.94 2.96 -0.75 0.24 0.04 -1.26 -4.16 135.00 129.12 1ibx s PRO 61 Ca 0.60 -1.15 -0.05 0.00 0.04 0.00 0.00 61.00 60.43 1ibx s PRO 61 Cb -0.11 -5.28 0.05 0.00 0.04 0.00 0.00 34.50 29.20 1ibx s PRO 61 CO 0.15 -3.27 0.19 -1.13 0.04 0.00 0.00 177.00 172.99 1ibx n SER 62 N 12.34 -2.28 -3.52 6.66 3.41 -1.26 -4.84 113.62 124.13 1ibx n SER 62 Ca 0.43 -0.00 -0.27 0.00 -0.26 0.00 0.00 58.87 58.77 1ibx n SER 62 Cb 0.47 -2.00 -0.10 0.00 -0.26 0.00 0.00 64.21 62.32 1ibx n SER 62 CO 0.00 0.00 0.00 0.55 -0.16 0.00 0.00 175.04 175.43 1ibx n VAL 63 N -3.21 -0.34 -0.02 -3.33 3.14 -1.26 -4.95 118.33 108.35 1ibx n VAL 63 Ca -0.02 -3.88 -0.16 0.00 -2.96 0.00 0.00 64.34 57.32 1ibx n VAL 63 Cb 0.52 -1.82 -0.12 0.00 -1.06 0.00 0.00 33.84 31.36 1ibx n VAL 63 CO 0.00 0.00 0.00 1.55 -6.46 0.00 0.00 176.83 171.92 1ibx h PRO 64 N 5.45 0.14 -0.73 1.45 0.13 -1.91 -3.37 132.00 133.17 1ibx h PRO 64 Ca 0.23 -0.19 0.07 0.00 -0.87 0.00 0.00 66.00 65.24 1ibx h PRO 64 Cb 0.86 0.06 -0.10 0.00 0.13 0.00 0.00 31.00 31.96 1ibx h PRO 64 CO 0.48 1.00 -0.51 -0.44 -0.23 0.00 0.00 178.00 178.30 1ibx h ASP 65 N -0.63 -1.81 -3.73 1.44 3.32 -1.92 -3.42 116.42 109.67 1ibx h ASP 65 Ca -0.04 0.27 -0.23 0.00 0.02 0.00 0.00 57.03 57.05 1ibx h ASP 65 Cb 1.12 0.79 -0.28 0.00 0.22 0.00 0.00 39.33 41.18 1ibx h ASP 65 CO 0.05 -0.24 -0.68 0.54 -1.72 0.00 0.00 179.24 177.19 1ibx s ASN 66 N -5.06 -0.03 -0.72 6.45 2.20 -1.26 -4.16 114.94 112.37 1ibx s ASN 66 Ca -0.11 0.07 0.04 0.00 -0.94 0.00 0.00 52.86 51.92 1ibx s ASN 66 Cb 0.09 0.06 0.21 0.00 -2.00 0.00 0.00 41.25 39.61 1ibx s ASN 66 CO 0.54 -0.02 0.65 0.00 -2.94 0.00 0.00 177.10 175.33 1ibx n ALA 67 N 3.13 3.75 -2.68 3.54 0.00 -1.26 -4.87 120.51 122.13 1ibx n ALA 67 Ca -0.13 -4.64 -0.43 0.00 0.00 0.00 0.00 53.44 48.25 1ibx n ALA 67 Cb 0.59 -1.10 -0.01 0.00 0.00 0.00 0.00 19.45 18.93 1ibx n ALA 67 CO 0.00 0.00 0.00 -1.21 0.00 0.00 0.00 177.50 176.29 1ibx s GLU 68 N -1.87 3.83 -0.04 0.00 2.02 -1.23 -4.25 118.70 117.16 1ibx s GLU 68 Ca 0.31 -1.79 -0.17 0.00 0.02 0.00 0.00 54.97 53.33 1ibx s GLU 68 Cb 0.03 -5.33 -0.05 0.00 0.10 0.00 0.00 34.13 28.87 1ibx s GLU 68 CO -0.10 -2.10 0.48 -0.51 0.02 0.00 0.00 175.26 173.04 1ibx s LEU 69 N 3.84 4.39 -0.33 1.80 2.01 -1.25 -3.38 118.68 125.76 1ibx s LEU 69 Ca 0.47 0.95 -0.10 0.00 0.01 0.00 0.00 54.13 55.46 1ibx s LEU 69 Cb 0.01 -2.71 -0.00 0.00 0.01 0.00 0.00 46.19 43.50 1ibx s LEU 69 CO -0.01 0.15 0.17 -0.69 1.01 0.00 0.00 176.35 176.98 1ibx s VAL 70 N -0.22 4.63 0.17 -1.59 1.01 -0.75 -1.72 120.40 121.93 1ibx s VAL 70 Ca 0.26 -0.50 -0.32 0.00 0.00 0.00 0.00 61.98 61.42 1ibx s VAL 70 Cb -0.16 -3.41 -0.17 0.00 0.00 0.00 0.00 36.38 32.64 1ibx s VAL 70 CO 0.13 -0.00 0.92 0.00 0.00 0.00 0.00 175.10 176.15 1ibx n LEU 71 N 4.99 0.43 -3.74 3.92 -0.00 -0.70 -3.80 117.00 118.10 1ibx n LEU 71 Ca -0.13 1.15 -0.23 0.00 -0.00 0.00 0.00 56.01 56.79 1ibx n LEU 71 Cb 0.48 -1.09 -0.18 0.00 -0.00 0.00 0.00 43.42 42.64 1ibx n LEU 71 CO 0.35 -1.95 -0.37 -0.22 -0.00 0.00 0.00 177.39 175.20 1ibx s LEU 72 N 1.24 0.53 -0.45 1.47 1.98 -0.99 -3.94 118.68 118.53 1ibx s LEU 72 Ca 0.71 -0.15 0.05 0.00 -2.89 0.00 0.00 54.13 51.85 1ibx s LEU 72 Cb -0.93 -0.38 0.18 0.00 0.66 0.00 0.00 46.19 45.72 1ibx s LEU 72 CO 0.55 -0.23 0.48 0.28 -1.89 0.00 0.00 176.35 175.55 1ibx s THR 73 N 2.01 -0.21 0.10 3.68 -1.32 -1.26 -0.49 115.64 118.14 1ibx s THR 73 Ca 0.04 -1.88 -0.07 0.00 -1.21 0.00 0.00 61.69 58.56 1ibx s THR 73 Cb -0.13 -0.74 -0.01 0.00 -1.51 0.00 0.00 72.50 70.11 1ibx s THR 73 CO -0.05 -0.73 0.17 -0.22 -2.21 0.00 0.00 174.62 171.58 1ibx s LEU 74 N 0.49 1.49 0.61 9.08 1.98 -1.26 -4.96 118.68 126.11 1ibx s LEU 74 Ca 0.30 -0.76 0.24 0.00 -2.89 0.00 0.00 54.13 51.03 1ibx s LEU 74 Cb 0.00 0.93 0.96 0.00 0.66 0.00 0.00 46.19 48.74 1ibx s LEU 74 CO -0.13 -0.74 1.40 1.23 -1.89 0.00 0.00 176.35 176.22 1ibx h GLY 75 N 2.77 0.00 -2.78 7.98 0.00 -2.00 -3.39 103.07 105.65 1ibx h GLY 75 Ca -0.34 0.00 -0.44 0.00 0.00 0.00 0.00 47.33 46.55 1ibx h GLY 75 CO 0.56 0.00 -0.74 -0.86 0.00 0.00 0.00 176.54 175.50 1ibx s GLN 76 N -4.41 1.26 0.72 4.80 -2.07 -1.26 -5.14 119.66 113.56 1ibx s GLN 76 Ca -0.03 -1.51 -0.11 0.00 -1.82 0.00 0.00 55.36 51.88 1ibx s GLN 76 Cb 0.13 -1.07 0.03 0.00 -1.09 0.00 0.00 33.01 31.00 1ibx s GLN 76 CO 0.43 0.18 1.10 0.00 -1.32 0.00 0.00 175.29 175.68 1ibx s ALA 77 N -2.81 2.81 0.34 2.60 0.00 -1.26 -4.83 121.76 118.60 1ibx s ALA 77 Ca 0.20 -0.35 -0.26 0.00 0.00 0.00 0.00 51.96 51.55 1ibx s ALA 77 Cb -0.01 -3.03 -0.10 0.00 0.00 0.00 0.00 23.12 19.98 1ibx s ALA 77 CO 0.06 -1.24 0.95 -0.46 0.00 0.00 0.00 175.76 175.06 1ibx s TRP 78 N -3.36 3.65 -0.42 0.00 -0.11 -1.26 -5.02 118.94 112.43 1ibx s TRP 78 Ca 0.59 1.76 0.06 0.00 1.22 0.00 0.00 56.10 59.73 1ibx s TRP 78 Cb -0.11 -2.92 0.22 0.00 -1.50 0.00 0.00 33.47 29.15 1ibx s TRP 78 CO 0.52 0.16 0.51 0.94 -4.62 0.00 0.00 176.95 174.45 1ibx n GLN 79 N 0.43 0.52 -2.83 5.86 7.27 -1.26 -4.33 117.38 123.04 1ibx n GLN 79 Ca 0.02 -2.98 -0.29 0.00 0.07 0.00 0.00 57.00 53.82 1ibx n GLN 79 Cb 0.50 -1.41 -0.02 0.00 2.41 0.00 0.00 30.24 31.72 1ibx n GLN 79 CO 0.00 0.00 0.00 0.20 0.07 0.00 0.00 177.06 177.33 1ibx s GLY 80 N -0.66 1.82 0.00 1.69 0.00 -1.23 -5.08 107.32 103.85 1ibx s GLY 80 Ca 0.34 -0.31 0.16 0.00 0.00 0.00 0.00 44.72 44.90 1ibx s GLY 80 CO -0.15 -0.14 1.00 1.42 0.00 0.00 0.00 173.10 175.23