#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1iet s LYS 2 N 0.00 1.01 -0.03 -0.67 2.47 -1.26 -5.15 119.74 116.11 1iet s LYS 2 Ca 0.00 -1.13 0.03 0.00 -1.56 0.00 0.00 55.97 53.31 1iet s LYS 2 Cb 0.00 -1.09 0.00 0.00 -1.46 0.00 0.00 37.83 35.29 1iet s LYS 2 CO 0.00 0.24 -0.12 0.34 0.16 0.00 0.00 175.35 175.97 1iet s ASP 3 N -2.03 1.58 0.06 1.43 2.15 -1.26 -5.10 116.67 113.51 1iet s ASP 3 Ca 0.05 -0.25 -0.31 0.00 0.43 0.00 0.00 52.55 52.47 1iet s ASP 3 Cb -0.09 -0.45 -0.08 0.00 -0.30 0.00 0.00 42.92 42.00 1iet s ASP 3 CO 0.03 0.09 1.71 -0.69 -0.17 0.00 0.00 175.17 176.14 1iet s VAL 4 N 0.17 3.01 -0.30 1.11 1.01 -1.26 -4.95 120.40 119.19 1iet s VAL 4 Ca -0.04 0.40 -0.08 0.00 0.00 0.00 0.00 61.98 62.26 1iet s VAL 4 Cb -0.10 -3.26 0.00 0.00 0.00 0.00 0.00 36.38 33.02 1iet s VAL 4 CO 0.01 -0.01 0.11 -0.54 0.00 0.00 0.00 175.10 174.68 1iet s LYS 5 N 2.94 3.20 0.31 2.72 1.02 -1.26 -4.80 119.74 123.88 1iet s LYS 5 Ca 0.76 -0.79 -0.27 0.00 0.02 0.00 0.00 55.97 55.69 1iet s LYS 5 Cb -0.40 -3.46 -0.10 0.00 -0.52 0.00 0.00 37.83 33.35 1iet s LYS 5 CO 0.33 -0.43 0.98 0.71 -0.92 0.00 0.00 175.35 176.02 1iet s TYR 6 N 1.55 3.67 -0.05 3.18 2.02 -1.26 -2.79 117.35 123.67 1iet s TYR 6 Ca 0.04 1.78 0.05 0.00 -0.37 0.00 0.00 57.07 58.56 1iet s TYR 6 Cb -0.17 -3.01 -0.01 0.00 -0.40 0.00 0.00 41.96 38.37 1iet s TYR 6 CO 0.04 0.04 -0.20 0.71 -1.57 0.00 0.00 175.55 174.57 1iet s TYR 7 N -1.48 1.96 0.99 2.71 2.02 -1.13 -4.82 117.35 117.59 1iet s TYR 7 Ca 0.49 -0.57 -0.11 0.00 -0.37 0.00 0.00 57.07 56.51 1iet s TYR 7 Cb -0.22 -1.30 0.18 0.00 -0.40 0.00 0.00 41.96 40.21 1iet s TYR 7 CO 0.28 -0.19 1.07 0.25 -1.57 0.00 0.00 175.55 175.40 1iet n THR 8 N 3.08 0.00 0.21 -0.71 -2.24 -1.26 -3.69 114.28 109.67 1iet n THR 8 Ca -0.18 -0.12 0.08 0.00 -2.27 0.00 0.00 64.05 61.56 1iet n THR 8 Cb 0.53 -0.98 0.40 0.00 -2.10 0.00 0.00 70.33 68.18 1iet n THR 8 CO 0.00 0.00 0.00 -0.07 -0.57 0.00 0.00 175.07 174.43 1iet h LEU 9 N -2.08 0.00 -1.17 3.22 3.38 -1.99 -2.82 115.31 113.84 1iet h LEU 9 Ca -0.48 0.00 -0.07 0.00 0.09 0.00 0.00 57.88 57.42 1iet h LEU 9 Cb 1.29 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 42.03 1iet h LEU 9 CO 0.43 0.29 -0.35 -0.33 0.09 0.00 0.00 178.44 178.56 1iet h GLU 10 N 0.00 0.00 0.12 1.13 5.08 -1.99 -1.80 114.58 117.12 1iet h GLU 10 Ca -0.00 0.00 -0.29 0.00 -1.00 0.00 0.00 59.36 58.07 1iet h GLU 10 Cb 0.81 0.00 -0.00 0.00 0.50 0.00 0.00 28.75 30.06 1iet h GLU 10 CO 0.04 0.35 -1.40 1.49 -1.00 0.00 0.00 179.01 178.49 1iet h GLU 11 N 0.00 0.25 0.00 2.33 4.81 -1.86 -1.81 114.58 118.30 1iet h GLU 11 Ca -0.00 -0.43 -0.10 0.00 -0.13 0.00 0.00 59.36 58.70 1iet h GLU 11 Cb 0.76 0.16 -0.01 0.00 0.63 0.00 0.00 28.75 30.28 1iet h GLU 11 CO 0.05 1.14 -0.47 0.82 -0.73 0.00 0.00 179.01 179.82 1iet h ILE 12 N 0.07 0.98 0.00 2.32 2.04 -1.40 -3.19 117.51 118.33 1iet h ILE 12 Ca -0.19 -1.86 -0.29 0.00 1.00 0.00 0.00 64.86 63.52 1iet h ILE 12 Cb 1.99 2.12 -0.05 0.00 -0.74 0.00 0.00 36.82 40.15 1iet h ILE 12 CO 0.18 0.46 -1.70 0.00 0.00 0.00 0.00 178.15 177.09 1iet n GLN 13 N -3.47 0.63 0.27 2.37 6.02 -0.69 -3.91 117.38 118.61 1iet n GLN 13 Ca 0.00 0.30 0.11 0.00 -0.01 0.00 0.00 57.00 57.40 1iet n GLN 13 Cb 0.60 -1.80 0.74 0.00 1.02 0.00 0.00 30.24 30.80 1iet n GLN 13 CO 0.00 0.00 0.00 -0.22 -1.01 0.00 0.00 177.06 175.83 1iet h LYS 14 N 0.00 0.00 -5.20 -1.09 3.64 -1.31 -3.30 116.57 109.31 1iet h LYS 14 Ca -0.28 0.00 -0.71 0.00 -1.27 0.00 0.00 60.65 58.39 1iet h LYS 14 Cb 2.00 0.00 -0.11 0.00 -0.41 0.00 0.00 32.23 33.71 1iet h LYS 14 CO 0.08 0.03 2.00 0.72 -2.27 0.00 0.00 179.45 180.01 1iet n HIS 15 N -4.19 4.57 -2.52 1.91 8.25 -1.22 -4.67 115.22 117.35 1iet n HIS 15 Ca -0.03 -3.02 -0.16 0.00 -0.26 0.00 0.00 57.72 54.25 1iet n HIS 15 Cb 0.12 -2.45 0.02 0.00 1.12 0.00 0.00 29.99 28.80 1iet n HIS 15 CO 0.00 0.00 0.00 1.17 0.64 0.00 0.00 176.34 178.15 1iet n LYS 16 N 7.04 2.42 -0.01 -0.41 4.81 -1.25 -4.58 118.16 126.18 1iet n LYS 16 Ca 0.45 -3.87 -0.00 0.00 -0.87 0.00 0.00 58.31 54.02 1iet n LYS 16 Cb 0.44 -1.81 -0.00 0.00 0.02 0.00 0.00 35.03 33.67 1iet n LYS 16 CO 0.00 0.00 0.00 0.22 1.17 0.00 0.00 177.40 178.79 1iet h ASP 17 N 2.66 -0.00 0.00 3.14 3.58 -1.83 -3.49 116.42 120.47 1iet h ASP 17 Ca 0.11 0.00 0.00 0.00 0.42 0.00 0.00 57.03 57.56 1iet h ASP 17 Cb 1.17 0.00 0.00 0.00 1.72 0.00 0.00 39.33 42.22 1iet h ASP 17 CO 0.60 0.07 0.00 -0.24 -2.88 0.00 0.00 179.24 176.80 1iet n SER 18 N -2.42 0.00 0.01 2.28 2.88 -1.26 -5.05 113.62 110.07 1iet n SER 18 Ca -0.00 0.00 -0.00 0.00 -1.33 0.00 0.00 58.87 57.54 1iet n SER 18 Cb 0.00 0.00 -0.00 0.00 -0.75 0.00 0.00 64.21 63.46 1iet n SER 18 CO 0.00 0.00 0.00 1.17 -1.23 0.00 0.00 175.04 174.98 1iet n LYS 19 N 0.00 0.01 -1.72 -1.46 4.81 -1.26 -4.93 118.16 113.61 1iet n LYS 19 Ca 0.00 0.00 -0.26 0.00 -0.87 0.00 0.00 58.31 57.18 1iet n LYS 19 Cb 0.00 -0.13 -0.05 0.00 0.02 0.00 0.00 35.03 34.87 1iet n LYS 19 CO 0.00 0.00 0.00 -1.12 1.17 0.00 0.00 177.40 177.45 1iet s SER 20 N -5.15 4.46 0.27 3.14 0.01 -1.26 -4.56 113.70 110.61 1iet s SER 20 Ca -0.00 0.28 -0.14 0.00 1.31 0.00 0.00 55.95 57.40 1iet s SER 20 Cb 0.00 -2.53 0.01 0.00 0.21 0.00 0.00 66.02 63.70 1iet s SER 20 CO 0.00 -3.17 0.55 0.28 0.41 0.00 0.00 173.24 171.31 1iet s THR 21 N 12.39 0.00 0.38 1.44 -1.32 -1.26 -4.61 115.64 122.66 1iet s THR 21 Ca 0.87 -1.32 0.05 0.00 -1.21 0.00 0.00 61.69 60.08 1iet s THR 21 Cb -0.13 -2.25 -0.07 0.00 -1.51 0.00 0.00 72.50 68.54 1iet s THR 21 CO 0.14 0.00 0.03 0.26 -2.21 0.00 0.00 174.62 172.84 1iet s TRP 22 N -3.80 2.25 -0.05 9.09 0.51 -1.26 -2.80 118.94 122.89 1iet s TRP 22 Ca 0.20 -0.81 -0.03 0.00 -2.12 0.00 0.00 56.10 53.34 1iet s TRP 22 Cb -0.02 -1.57 0.02 0.00 -0.81 0.00 0.00 33.47 31.09 1iet s TRP 22 CO 0.10 0.25 0.11 0.08 -0.51 0.00 0.00 176.95 176.98 1iet s VAL 23 N -2.95 -0.02 0.43 4.03 1.01 -0.73 -4.89 120.40 117.28 1iet s VAL 23 Ca 0.33 0.06 -0.21 0.00 0.00 0.00 0.00 61.98 62.17 1iet s VAL 23 Cb 0.09 -0.17 -0.11 0.00 0.00 0.00 0.00 36.38 36.19 1iet s VAL 23 CO 0.16 0.02 0.95 -0.63 0.00 0.00 0.00 175.10 175.61 1iet s ILE 24 N 0.41 4.38 -0.41 2.22 1.09 -1.26 -1.14 121.20 126.50 1iet s ILE 24 Ca -0.03 1.47 0.04 0.00 -1.10 0.00 0.00 60.65 61.03 1iet s ILE 24 Cb -0.04 -3.60 0.17 0.00 -1.06 0.00 0.00 42.46 37.92 1iet s ILE 24 CO -0.02 -0.33 0.44 -0.22 -0.10 0.00 0.00 174.94 174.72 1iet s LEU 25 N -3.22 -0.10 -0.79 2.97 1.98 -1.12 -4.91 118.68 113.49 1iet s LEU 25 Ca 0.62 -1.85 -0.01 0.00 -2.89 0.00 0.00 54.13 50.00 1iet s LEU 25 Cb -0.09 0.68 -0.01 0.00 0.66 0.00 0.00 46.19 47.43 1iet s LEU 25 CO 0.14 -0.20 0.72 1.41 -1.89 0.00 0.00 176.35 176.52 1iet n HIS 26 N 3.77 -2.84 -3.04 5.38 8.25 -1.26 -4.08 115.22 121.40 1iet n HIS 26 Ca 0.16 1.07 -0.05 0.00 -0.26 0.00 0.00 57.72 58.65 1iet n HIS 26 Cb 0.48 -4.00 0.00 0.00 1.12 0.00 0.00 29.99 27.60 1iet n HIS 26 CO 0.00 0.00 0.00 1.58 0.64 0.00 0.00 176.34 178.56 1iet n HIS 27 N -2.03 -3.09 0.00 4.41 -0.00 -1.26 -5.03 115.22 108.21 1iet n HIS 27 Ca -0.03 1.21 0.00 0.00 -0.00 0.00 0.00 57.72 58.89 1iet n HIS 27 Cb 0.53 -3.99 0.00 0.00 -0.00 0.00 0.00 29.99 26.52 1iet n HIS 27 CO 0.00 0.00 0.00 1.63 -0.00 0.00 0.00 176.34 177.97 1iet n LYS 28 N -1.32 0.00 -5.17 1.57 5.02 -1.26 -4.58 118.16 112.43 1iet n LYS 28 Ca 0.02 0.00 -0.32 0.00 -2.02 0.00 0.00 58.31 55.99 1iet n LYS 28 Cb 0.50 0.00 -0.16 0.00 -0.02 0.00 0.00 35.03 35.35 1iet n LYS 28 CO 0.00 0.00 0.00 0.08 -0.52 0.00 0.00 177.40 176.96 1iet s VAL 29 N -2.00 2.30 -0.39 -0.18 1.01 -0.95 -2.81 120.40 117.38 1iet s VAL 29 Ca 0.00 -0.98 0.04 0.00 0.00 0.00 0.00 61.98 61.04 1iet s VAL 29 Cb 0.00 -1.86 0.11 0.00 0.00 0.00 0.00 36.38 34.63 1iet s VAL 29 CO 0.00 0.57 0.11 -0.31 0.00 0.00 0.00 175.10 175.47 1iet s TYR 30 N -0.21 3.61 -0.86 5.22 1.51 -0.29 -2.47 117.35 123.87 1iet s TYR 30 Ca -0.02 -3.04 -0.25 0.00 -1.01 0.00 0.00 57.07 52.76 1iet s TYR 30 Cb -0.13 -2.91 -0.02 0.00 -0.11 0.00 0.00 41.96 38.78 1iet s TYR 30 CO 0.03 -0.90 1.80 0.34 -1.11 0.00 0.00 175.55 175.72 1iet s ASP 31 N 0.61 5.47 -0.47 2.29 -1.08 -0.51 -1.78 116.67 121.20 1iet s ASP 31 Ca 0.13 -0.60 0.03 0.00 -0.52 0.00 0.00 52.55 51.59 1iet s ASP 31 Cb -0.21 -2.56 0.48 0.00 -1.46 0.00 0.00 42.92 39.18 1iet s ASP 31 CO -0.06 -2.40 1.67 0.18 0.52 0.00 0.00 175.17 175.09 1iet n LEU 32 N 12.54 6.18 0.19 -1.34 4.77 -1.12 -4.64 117.00 133.58 1iet n LEU 32 Ca 0.33 -4.29 0.04 0.00 -0.03 0.00 0.00 56.01 52.05 1iet n LEU 32 Cb 0.49 -0.71 0.44 0.00 -2.33 0.00 0.00 43.42 41.31 1iet n LEU 32 CO 0.64 1.60 0.87 0.71 -1.33 0.00 0.00 177.39 179.87 1iet h THR 33 N 1.37 1.17 0.00 -5.08 1.35 -1.80 -2.35 112.91 107.57 1iet h THR 33 Ca 0.48 -0.79 -0.09 0.00 -0.55 0.00 0.00 66.41 65.45 1iet h THR 33 Cb 1.36 1.36 -0.02 0.00 -1.73 0.00 0.00 68.15 69.13 1iet h THR 33 CO 1.10 0.23 -1.17 0.11 -0.25 0.00 0.00 175.52 175.54 1iet h LYS 34 N 0.07 0.00 0.00 4.72 1.57 -1.91 -3.33 116.57 117.69 1iet h LYS 34 Ca 0.01 0.00 -0.01 0.00 -1.87 0.00 0.00 60.65 58.79 1iet h LYS 34 Cb 0.40 0.00 -0.00 0.00 0.08 0.00 0.00 32.23 32.71 1iet h LYS 34 CO 0.03 0.17 -0.03 0.35 -0.57 0.00 0.00 179.45 179.40 1iet h PHE 35 N 0.00 0.00 -0.46 -1.35 3.04 -1.74 -1.44 116.94 114.99 1iet h PHE 35 Ca -0.09 0.00 -0.00 0.00 3.98 0.00 0.00 57.97 61.86 1iet h PHE 35 Cb 1.32 0.00 -0.02 0.00 2.56 0.00 0.00 35.95 39.81 1iet h PHE 35 CO 0.00 0.03 0.28 -0.07 -2.02 0.00 0.00 178.31 176.53 1iet h LEU 36 N 0.00 0.53 -3.12 0.59 3.38 -1.66 -2.52 115.31 112.51 1iet h LEU 36 Ca -0.00 -0.02 -0.06 0.00 0.09 0.00 0.00 57.88 57.89 1iet h LEU 36 Cb 0.06 -0.13 -0.03 0.00 0.09 0.00 0.00 40.66 40.64 1iet h LEU 36 CO 0.00 0.40 -0.31 1.21 0.09 0.00 0.00 178.44 179.83 1iet n GLU 37 N -4.45 1.68 -0.05 1.13 2.13 -0.63 -4.60 120.64 115.85 1iet n GLU 37 Ca 0.04 -3.20 -0.05 0.00 0.66 0.00 0.00 57.16 54.60 1iet n GLU 37 Cb 0.07 -1.68 -0.07 0.00 0.27 0.00 0.00 31.44 30.03 1iet n GLU 37 CO 0.00 0.00 0.00 -1.91 -0.41 0.00 0.00 177.13 174.81 1iet n GLU 38 N -1.13 2.30 -3.46 5.31 4.07 -0.69 -4.87 120.64 122.16 1iet n GLU 38 Ca 0.23 0.00 -0.29 0.00 -0.06 0.00 0.00 57.16 57.05 1iet n GLU 38 Cb 0.80 -1.24 -0.12 0.00 -0.06 0.00 0.00 31.44 30.83 1iet n GLU 38 CO 0.00 0.00 0.00 -1.01 -0.06 0.00 0.00 177.13 176.06 1iet s HIS 39 N -2.23 0.84 -0.80 4.31 3.76 -1.21 -5.07 115.29 114.88 1iet s HIS 39 Ca -0.06 -1.79 -0.24 0.00 -0.15 0.00 0.00 55.06 52.82 1iet s HIS 39 Cb 0.03 -0.95 0.06 0.00 1.11 0.00 0.00 32.58 32.83 1iet s HIS 39 CO 0.37 -0.83 1.22 -1.25 -0.85 0.00 0.00 174.74 173.40 1iet s PRO 40 N 0.84 3.31 0.00 8.40 0.04 -1.26 -4.11 135.00 142.21 1iet s PRO 40 Ca 0.21 -0.76 0.00 0.00 0.04 0.00 0.00 61.00 60.49 1iet s PRO 40 Cb -0.18 -4.54 0.00 0.00 0.04 0.00 0.00 34.50 29.82 1iet s PRO 40 CO -0.03 -2.04 0.00 0.41 0.04 0.00 0.00 177.00 175.38 1iet n GLY 41 N 5.73 0.17 3.71 0.56 0.00 -1.26 -5.12 105.19 108.98 1iet n GLY 41 Ca 0.10 -0.01 -0.36 0.00 0.00 0.00 0.00 46.02 45.76 1iet n GLY 41 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 1iet s GLY 42 N 0.00 2.05 -0.09 -0.02 0.00 -1.26 -4.97 107.32 103.03 1iet s GLY 42 Ca 0.00 -0.71 0.15 0.00 0.00 0.00 0.00 44.72 44.16 1iet s GLY 42 CO 0.00 0.25 0.47 -2.21 0.00 0.00 0.00 173.10 171.61 1iet n GLU 43 N 3.73 0.65 0.33 2.90 2.13 -1.26 -4.02 120.64 125.11 1iet n GLU 43 Ca -0.15 0.19 0.22 0.00 0.66 0.00 0.00 57.16 58.08 1iet n GLU 43 Cb 0.52 -1.70 1.17 0.00 0.27 0.00 0.00 31.44 31.70 1iet n GLU 43 CO 0.00 0.00 0.00 1.05 -0.41 0.00 0.00 177.13 177.77 1iet h GLU 44 N 0.00 0.00 -6.29 5.31 4.11 -1.93 -3.37 114.58 112.41 1iet h GLU 44 Ca -0.36 0.00 -0.54 0.00 0.07 0.00 0.00 59.36 58.52 1iet h GLU 44 Cb 2.06 0.00 0.00 0.00 0.50 0.00 0.00 28.75 31.31 1iet h GLU 44 CO 0.06 0.00 1.19 0.14 0.07 0.00 0.00 179.01 180.47 1iet s VAL 45 N -4.10 3.27 -1.53 -1.06 -7.23 -1.24 -1.95 120.40 106.56 1iet s VAL 45 Ca -0.05 0.33 -0.05 0.00 -1.81 0.00 0.00 61.98 60.40 1iet s VAL 45 Cb 0.12 -3.22 0.01 0.00 0.56 0.00 0.00 36.38 33.85 1iet s VAL 45 CO 0.41 -0.04 0.60 0.18 -0.31 0.00 0.00 175.10 175.94 1iet n LEU 46 N 7.69 -2.58 0.02 1.32 4.32 -1.26 -4.78 117.00 121.73 1iet n LEU 46 Ca 0.19 -0.30 0.00 0.00 -0.02 0.00 0.00 56.01 55.88 1iet n LEU 46 Cb 0.42 -2.90 0.00 0.00 -1.62 0.00 0.00 43.42 39.32 1iet n LEU 46 CO 0.65 0.23 0.00 -1.14 -1.22 0.00 0.00 177.39 175.91 1iet n ARG 47 N -4.02 0.00 -1.69 3.23 0.63 -0.82 -5.01 116.66 108.97 1iet n ARG 47 Ca -0.10 0.00 -0.31 0.00 -0.92 0.00 0.00 57.85 56.52 1iet n ARG 47 Cb 0.61 0.00 -0.04 0.00 0.45 0.00 0.00 32.46 33.48 1iet n ARG 47 CO 0.00 0.00 0.00 -1.21 -2.51 0.00 0.00 177.63 173.91 1iet s GLU 48 N -2.00 2.12 -0.06 -0.14 2.02 -0.98 -4.38 118.70 115.29 1iet s GLU 48 Ca 0.00 0.91 0.02 0.00 0.02 0.00 0.00 54.97 55.93 1iet s GLU 48 Cb 0.00 -4.63 0.07 0.00 0.10 0.00 0.00 34.13 29.67 1iet s GLU 48 CO 0.00 -3.44 0.59 0.94 0.02 0.00 0.00 175.26 173.37 1iet n GLN 49 N 8.99 0.23 0.04 1.61 7.27 -1.26 -4.59 117.38 129.68 1iet n GLN 49 Ca 0.36 -0.31 -0.08 0.00 0.07 0.00 0.00 57.00 57.03 1iet n GLN 49 Cb 0.51 0.27 -0.13 0.00 2.41 0.00 0.00 30.24 33.30 1iet n GLN 49 CO 0.00 0.00 0.00 0.00 0.07 0.00 0.00 177.06 177.13 1iet h ALA 50 N 0.17 0.46 -3.00 1.69 0.00 -2.02 -3.39 119.26 113.17 1iet h ALA 50 Ca -0.14 -1.09 0.00 0.00 0.00 0.00 0.00 54.91 53.69 1iet h ALA 50 Cb 0.96 0.07 0.00 0.00 0.00 0.00 0.00 17.79 18.81 1iet h ALA 50 CO -0.06 1.33 0.00 0.41 0.00 0.00 0.00 179.25 180.93 1iet n GLY 51 N 1.44 -2.24 0.00 0.00 0.00 -1.26 -4.99 105.19 98.14 1iet n GLY 51 Ca -0.06 0.00 0.00 0.00 0.00 0.00 0.00 46.02 45.96 1iet n GLY 51 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1iet n GLY 52 N -0.04 1.94 0.04 -0.02 0.00 -1.26 -5.02 105.19 100.83 1iet n GLY 52 Ca 0.00 0.00 -0.05 0.00 0.00 0.00 0.00 46.02 45.97 1iet n GLY 52 CO 0.00 0.00 0.00 1.34 0.00 0.00 0.00 173.32 174.66 1iet n ASP 53 N 0.00 3.21 -3.43 1.61 2.03 -1.26 -5.05 116.55 113.65 1iet n ASP 53 Ca 0.00 -0.03 0.02 0.00 0.52 0.00 0.00 54.79 55.30 1iet n ASP 53 Cb 0.00 0.19 -0.05 0.00 -0.72 0.00 0.00 41.12 40.54 1iet n ASP 53 CO 0.00 0.00 0.00 0.00 -1.92 0.00 0.00 177.20 175.28 1iet s ALA 54 N -2.19 -2.88 -0.99 -1.67 0.00 -1.26 -5.08 121.76 107.70 1iet s ALA 54 Ca -0.09 1.94 -0.24 0.00 0.00 0.00 0.00 51.96 53.57 1iet s ALA 54 Cb 0.03 -2.09 -0.02 0.00 0.00 0.00 0.00 23.12 21.04 1iet s ALA 54 CO 0.26 -0.66 1.80 0.95 0.00 0.00 0.00 175.76 178.11 1iet s THR 55 N 1.66 3.62 -0.09 0.00 -4.23 -1.26 -4.58 115.64 110.77 1iet s THR 55 Ca -0.04 -0.62 0.08 0.00 -1.18 0.00 0.00 61.69 59.93 1iet s THR 55 Cb -0.02 -4.41 -0.11 0.00 1.34 0.00 0.00 72.50 69.30 1iet s THR 55 CO -0.14 -1.27 0.03 1.21 -0.54 0.00 0.00 174.62 173.91 1iet n GLU 56 N 8.77 2.54 -1.19 3.99 2.13 -1.26 -4.55 120.64 131.07 1iet n GLU 56 Ca 0.39 -0.00 -0.26 0.00 0.66 0.00 0.00 57.16 57.94 1iet n GLU 56 Cb 0.48 -1.22 0.12 0.00 0.27 0.00 0.00 31.44 31.09 1iet n GLU 56 CO 0.00 0.00 0.00 0.09 -0.41 0.00 0.00 177.13 176.81 1iet n ASN 57 N -2.33 5.43 0.13 4.31 4.13 -1.26 -4.47 115.26 121.19 1iet n ASN 57 Ca -0.14 -3.56 -0.01 0.00 1.68 0.00 0.00 54.58 52.54 1iet n ASN 57 Cb 0.78 -0.89 0.21 0.00 -1.54 0.00 0.00 39.78 38.33 1iet n ASN 57 CO 0.00 0.00 0.00 0.15 0.28 0.00 0.00 177.26 177.69 1iet h PHE 58 N 1.37 0.10 -1.79 3.10 3.57 -1.81 -3.43 116.94 118.05 1iet h PHE 58 Ca 0.57 -0.03 0.02 0.00 3.53 0.00 0.00 57.97 62.05 1iet h PHE 58 Cb 1.86 -0.02 -0.24 0.00 2.79 0.00 0.00 35.95 40.34 1iet h PHE 58 CO 1.40 0.60 0.28 -2.00 -2.23 0.00 0.00 178.31 176.37 1iet s GLU 59 N -3.84 0.66 0.04 1.11 2.12 -1.26 -3.69 118.70 113.83 1iet s GLU 59 Ca -0.03 0.81 0.00 0.00 0.36 0.00 0.00 54.97 56.12 1iet s GLU 59 Cb 0.13 0.30 0.00 0.00 0.26 0.00 0.00 34.13 34.82 1iet s GLU 59 CO 0.76 -0.08 0.00 -3.47 -0.54 0.00 0.00 175.26 171.93 1iet n ASP 60 N 2.62 0.32 -4.12 -1.70 2.03 -1.26 -4.93 116.55 109.51 1iet n ASP 60 Ca -0.14 0.06 -0.12 0.00 0.52 0.00 0.00 54.79 55.11 1iet n ASP 60 Cb 0.56 -0.09 -0.09 0.00 -0.72 0.00 0.00 41.12 40.78 1iet n ASP 60 CO 0.00 0.00 0.00 0.54 -1.92 0.00 0.00 177.20 175.82 1iet s VAL 61 N -1.32 0.00 0.00 5.18 0.11 -1.26 -4.80 120.40 118.31 1iet s VAL 61 Ca 0.00 -1.88 0.00 0.00 -2.93 0.00 0.00 61.98 57.17 1iet s VAL 61 Cb 0.00 -2.45 0.00 0.00 -1.53 0.00 0.00 36.38 32.40 1iet s VAL 61 CO 0.00 0.00 0.00 0.61 -3.33 0.00 0.00 175.10 172.38 1iet n GLY 62 N -0.31 0.99 3.46 6.54 0.00 -1.26 -4.96 105.19 109.65 1iet n GLY 62 Ca 0.02 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.04 1iet n GLY 62 CO 0.00 0.00 0.00 -1.58 0.00 0.00 0.00 173.32 171.74 1iet s HIS 63 N -1.28 -1.40 0.00 1.61 5.04 -1.26 -4.86 115.29 113.14 1iet s HIS 63 Ca 0.00 2.07 0.00 0.00 -1.54 0.00 0.00 55.06 55.59 1iet s HIS 63 Cb 0.00 0.70 0.00 0.00 0.04 0.00 0.00 32.58 33.32 1iet s HIS 63 CO 0.00 -0.73 0.00 0.43 -2.34 0.00 0.00 174.74 172.10 1iet n SER 64 N 5.44 0.00 0.02 9.88 7.64 -1.26 -3.15 113.62 132.19 1iet n SER 64 Ca -0.08 0.00 0.00 0.00 1.01 0.00 0.00 58.87 59.80 1iet n SER 64 Cb 0.50 0.00 0.00 0.00 -1.01 0.00 0.00 64.21 63.70 1iet n SER 64 CO 0.00 0.00 0.00 0.35 -3.01 0.00 0.00 175.04 172.38 1iet n THR 65 N 0.00 0.00 -2.73 0.44 -2.24 -1.26 -4.97 114.28 103.51 1iet n THR 65 Ca 0.00 0.00 -0.04 0.00 -2.27 0.00 0.00 64.05 61.74 1iet n THR 65 Cb 0.00 -0.17 0.04 0.00 -2.10 0.00 0.00 70.33 68.10 1iet n THR 65 CO 0.00 0.00 0.00 0.47 -0.57 0.00 0.00 175.07 174.97 1iet n ASP 66 N -2.58 1.88 -4.70 3.42 8.00 -1.25 -4.87 116.55 116.45 1iet n ASP 66 Ca 0.00 -2.32 -0.42 0.00 0.71 0.00 0.00 54.79 52.76 1iet n ASP 66 Cb 0.00 -0.48 -0.03 0.00 -0.02 0.00 0.00 41.12 40.59 1iet n ASP 66 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 1iet s ALA 67 N -3.66 3.75 0.05 2.24 0.00 -1.19 -4.90 121.76 118.05 1iet s ALA 67 Ca 0.29 1.35 -0.25 0.00 0.00 0.00 0.00 51.96 53.35 1iet s ALA 67 Cb 0.36 -3.70 -0.17 0.00 0.00 0.00 0.00 23.12 19.60 1iet s ALA 67 CO -0.02 -1.07 1.53 0.00 0.00 0.00 0.00 175.76 176.20 1iet h ARG 68 N 8.00 -0.17 -1.17 0.00 3.08 -1.93 -3.44 114.38 118.75 1iet h ARG 68 Ca -0.44 0.01 0.16 0.00 0.07 0.00 0.00 59.98 59.78 1iet h ARG 68 Cb 1.21 0.04 -0.23 0.00 0.08 0.00 0.00 29.97 31.06 1iet h ARG 68 CO 0.94 0.03 0.15 -2.00 -1.07 0.00 0.00 179.97 178.01 1iet s GLU 69 N -5.47 0.35 0.60 0.04 2.56 -1.26 -4.77 118.70 110.75 1iet s GLU 69 Ca -0.14 0.86 0.36 0.00 0.00 0.00 0.00 54.97 56.04 1iet s GLU 69 Cb 0.04 0.52 1.95 0.00 2.00 0.00 0.00 34.13 38.64 1iet s GLU 69 CO 0.64 -0.13 2.24 1.25 -0.56 0.00 0.00 175.26 178.70 1iet h LEU 70 N 7.61 0.00 -8.29 2.70 6.46 -1.95 -3.41 115.31 118.44 1iet h LEU 70 Ca -0.16 0.00 -0.24 0.00 -0.12 0.00 0.00 57.88 57.35 1iet h LEU 70 Cb 1.11 0.00 -0.04 0.00 -0.73 0.00 0.00 40.66 41.01 1iet h LEU 70 CO 0.08 0.03 1.04 -1.54 -0.62 0.00 0.00 178.44 177.43 1iet n SER 71 N -3.44 1.01 0.00 1.25 3.41 -1.26 -3.12 113.62 111.48 1iet n SER 71 Ca -0.02 -0.86 0.00 0.00 -0.26 0.00 0.00 58.87 57.72 1iet n SER 71 Cb 0.13 -1.31 0.00 0.00 -0.26 0.00 0.00 64.21 62.77 1iet n SER 71 CO 0.00 0.00 0.00 1.17 -0.16 0.00 0.00 175.04 176.05 1iet n LYS 72 N 8.08 0.00 -0.84 4.33 4.81 -1.26 -4.94 118.16 128.34 1iet n LYS 72 Ca 0.52 0.00 -0.04 0.00 -0.87 0.00 0.00 58.31 57.91 1iet n LYS 72 Cb 0.35 0.00 0.26 0.00 0.02 0.00 0.00 35.03 35.65 1iet n LYS 72 CO 0.00 0.00 0.00 0.25 1.17 0.00 0.00 177.40 178.82 1iet n THR 73 N 0.00 2.47 -2.16 3.15 -2.24 -1.18 -4.05 114.28 110.28 1iet n THR 73 Ca 0.00 -1.31 0.01 0.00 -2.27 0.00 0.00 64.05 60.48 1iet n THR 73 Cb 0.00 -0.42 0.00 0.00 -2.10 0.00 0.00 70.33 67.81 1iet n THR 73 CO 0.00 0.00 0.00 -1.22 -0.57 0.00 0.00 175.07 173.28 1iet n TYR 74 N -0.02 0.00 -3.57 4.78 4.01 -1.26 -5.10 117.16 116.00 1iet n TYR 74 Ca 0.33 -0.17 -0.31 0.00 -0.16 0.00 0.00 57.90 57.59 1iet n TYR 74 Cb 1.20 -0.05 -0.05 0.00 -0.31 0.00 0.00 39.34 40.13 1iet n TYR 74 CO 0.00 0.00 0.00 0.42 -0.46 0.00 0.00 176.86 176.82 1iet s ILE 75 N 0.00 5.08 -0.11 -0.72 1.01 -1.26 -1.43 121.20 123.77 1iet s ILE 75 Ca 0.11 0.17 0.01 0.00 0.00 0.00 0.00 60.65 60.94 1iet s ILE 75 Cb 0.12 -3.63 -0.08 0.00 0.01 0.00 0.00 42.46 38.88 1iet s ILE 75 CO -0.05 -0.03 -0.09 2.30 0.00 0.00 0.00 174.94 177.06 1iet n ILE 76 N -0.08 0.66 -1.42 2.92 -5.35 -1.03 -4.75 119.36 110.31 1iet n ILE 76 Ca -0.01 -0.26 0.00 0.00 -0.27 0.00 0.00 62.75 62.21 1iet n ILE 76 Cb 0.52 -0.90 0.00 0.00 -1.74 0.00 0.00 39.64 37.52 1iet n ILE 76 CO 0.00 0.00 0.00 0.61 -1.76 0.00 0.00 176.55 175.40 1iet n GLY 77 N 2.92 2.16 1.70 3.28 0.00 -1.25 -4.14 105.19 109.86 1iet n GLY 77 Ca -0.20 -0.33 -0.15 0.00 0.00 0.00 0.00 46.02 45.34 1iet n GLY 77 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 1iet n GLU 78 N 0.00 1.23 -3.39 1.61 1.02 -1.12 -2.23 120.64 117.76 1iet n GLU 78 Ca 0.00 -1.74 -0.38 0.00 -0.02 0.00 0.00 57.16 55.02 1iet n GLU 78 Cb 0.00 0.59 -0.06 0.00 -0.02 0.00 0.00 31.44 31.95 1iet n GLU 78 CO 0.00 0.00 0.00 -1.17 1.18 0.00 0.00 177.13 177.14 1iet s LEU 79 N 0.00 4.42 0.36 -4.62 1.98 -1.26 -2.84 118.68 116.71 1iet s LEU 79 Ca 0.03 0.97 -0.27 0.00 -2.89 0.00 0.00 54.13 51.97 1iet s LEU 79 Cb 0.00 -2.69 -0.12 0.00 0.66 0.00 0.00 46.19 44.04 1iet s LEU 79 CO 0.02 0.20 1.21 1.57 -1.89 0.00 0.00 176.35 177.46 1iet n HIS 80 N 2.47 1.96 0.29 5.38 -0.00 -1.24 -4.84 115.22 119.24 1iet n HIS 80 Ca -0.11 0.56 0.16 0.00 -0.00 0.00 0.00 57.72 58.33 1iet n HIS 80 Cb 0.52 -2.36 0.55 0.00 -0.00 0.00 0.00 29.99 28.70 1iet n HIS 80 CO 0.00 0.00 0.00 -1.00 -0.00 0.00 0.00 176.34 175.34 1iet h PRO 81 N 2.23 0.00 0.00 1.57 0.13 -1.96 -3.04 132.00 130.94 1iet h PRO 81 Ca -0.45 0.00 -0.01 0.00 -0.87 0.00 0.00 66.00 64.66 1iet h PRO 81 Cb 1.30 0.00 -0.00 0.00 0.13 0.00 0.00 31.00 32.43 1iet h PRO 81 CO 0.61 0.00 -0.06 0.22 -0.23 0.00 0.00 178.00 178.54 1iet h ASP 82 N 0.00 0.00 0.30 1.44 3.58 -2.01 -2.43 116.42 117.30 1iet h ASP 82 Ca 0.00 0.00 -0.26 0.00 0.42 0.00 0.00 57.03 57.19 1iet h ASP 82 Cb 0.61 0.00 -0.05 0.00 1.72 0.00 0.00 39.33 41.61 1iet h ASP 82 CO 0.00 0.06 -1.93 0.47 -2.88 0.00 0.00 179.24 174.96 1iet n ASP 83 N -4.01 0.44 -4.65 2.28 8.00 -1.15 -4.87 116.55 112.59 1iet n ASP 83 Ca -0.03 0.20 -0.42 0.00 0.71 0.00 0.00 54.79 55.25 1iet n ASP 83 Cb 0.15 0.62 -0.03 0.00 -0.02 0.00 0.00 41.12 41.84 1iet n ASP 83 CO 0.00 0.00 0.00 -0.13 -0.39 0.00 0.00 177.20 176.68 1iet s ARG 84 N -2.73 3.96 -0.76 -1.24 1.81 -0.92 -4.84 118.95 114.23 1iet s ARG 84 Ca -0.07 2.39 -0.26 0.00 -1.72 0.00 0.00 55.73 56.08 1iet s ARG 84 Cb 0.08 -4.16 -0.10 0.00 -0.45 0.00 0.00 34.95 30.31 1iet s ARG 84 CO 0.83 -1.15 2.28 0.45 -0.68 0.00 0.00 175.30 177.03 1iet s SER 85 N 4.91 4.32 -0.06 0.23 0.15 -1.26 -4.30 113.70 117.69 1iet s SER 85 Ca 0.87 0.07 0.02 0.00 0.70 0.00 0.00 55.95 57.61 1iet s SER 85 Cb -0.39 -2.54 0.07 0.00 -1.71 0.00 0.00 66.02 61.45 1iet s SER 85 CO 0.38 -3.40 0.68 1.17 1.20 0.00 0.00 173.24 173.27 1iet n LYS 86 N 8.88 0.24 0.02 5.44 0.00 -1.26 -4.83 118.16 126.65 1iet n LYS 86 Ca 0.42 -0.54 0.00 0.00 0.00 0.00 0.00 58.31 58.20 1iet n LYS 86 Cb 0.46 0.40 0.00 0.00 0.00 0.00 0.00 35.03 35.89 1iet n LYS 86 CO 0.00 0.00 0.00 -0.89 0.00 0.00 0.00 177.40 176.51 1iet n ILE 87 N -0.27 0.28 0.00 3.15 5.41 -1.26 -5.01 119.36 121.66 1iet n ILE 87 Ca -0.12 0.09 0.00 0.00 1.00 0.00 0.00 62.75 63.72 1iet n ILE 87 Cb 0.55 -0.99 0.00 0.00 -0.71 0.00 0.00 39.64 38.49 1iet n ILE 87 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 176.55 176.55 1iet n ALA 88 N -2.77 0.00 -2.47 -1.39 0.00 -1.26 -5.05 120.51 107.57 1iet n ALA 88 Ca 0.00 -0.09 -0.22 0.00 0.00 0.00 0.00 53.44 53.12 1iet n ALA 88 Cb 0.00 0.00 -0.11 0.00 0.00 0.00 0.00 19.45 19.34 1iet n ALA 88 CO 0.00 0.00 0.00 0.15 0.00 0.00 0.00 177.50 177.65 1iet s LYS 89 N -0.71 1.68 -0.10 0.00 1.02 -1.26 -5.07 119.74 115.30 1iet s LYS 89 Ca 0.00 -1.92 -0.20 0.00 0.02 0.00 0.00 55.97 53.86 1iet s LYS 89 Cb 0.00 -1.02 -0.28 0.00 -0.52 0.00 0.00 37.83 36.01 1iet s LYS 89 CO 0.00 -0.13 0.67 -1.00 -0.92 0.00 0.00 175.35 173.97 1iet h PRO 90 N 2.09 0.21 0.00 -1.68 0.13 -1.88 -3.38 132.00 127.48 1iet h PRO 90 Ca -0.41 -0.35 0.00 0.00 -0.87 0.00 0.00 66.00 64.37 1iet h PRO 90 Cb 1.24 0.13 0.00 0.00 0.13 0.00 0.00 31.00 32.50 1iet h PRO 90 CO 0.71 1.17 0.00 -1.13 -0.23 0.00 0.00 178.00 178.52 1iet n SER 91 N -4.13 0.00 -0.07 1.44 3.41 -1.26 -1.94 113.62 111.06 1iet n SER 91 Ca -0.20 0.00 -0.10 0.00 -0.26 0.00 0.00 58.87 58.31 1iet n SER 91 Cb 0.80 0.00 -0.03 0.00 -0.26 0.00 0.00 64.21 64.72 1iet n SER 91 CO 0.00 0.00 0.00 -0.33 -0.16 0.00 0.00 175.04 174.55 1iet h GLU 92 N 0.00 0.36 -7.61 4.33 5.08 -1.97 -3.43 114.58 111.34 1iet h GLU 92 Ca 0.00 -0.05 -0.47 0.00 -1.00 0.00 0.00 59.36 57.84 1iet h GLU 92 Cb 0.00 -0.07 0.10 0.00 0.50 0.00 0.00 28.75 29.28 1iet h GLU 92 CO 0.00 0.34 0.41 -0.08 -1.00 0.00 0.00 179.01 178.68 1iet s THR 93 N -5.79 2.03 0.00 1.13 -1.32 -0.82 -5.22 115.64 105.65 1iet s THR 93 Ca -0.13 0.01 0.00 0.00 -1.21 0.00 0.00 61.69 60.36 1iet s THR 93 Cb 0.08 -3.00 0.00 0.00 -1.51 0.00 0.00 72.50 68.07 1iet s THR 93 CO 0.71 -0.01 0.00 0.18 -2.21 0.00 0.00 174.62 173.29