#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1iib s LYS 4 N 0.00 4.25 -0.24 1.97 -0.14 -0.49 -4.81 119.74 120.28 1iib s LYS 4 Ca 0.00 0.96 -0.09 0.00 -1.36 0.00 0.00 55.97 55.48 1iib s LYS 4 Cb 0.00 -2.59 -0.04 0.00 -1.68 0.00 0.00 37.83 33.52 1iib s LYS 4 CO 0.00 0.22 0.11 -1.01 -0.76 0.00 0.00 175.35 173.91 1iib s HIS 5 N -1.81 3.20 -0.28 3.18 3.76 -1.26 0.17 115.29 122.26 1iib s HIS 5 Ca 0.52 -0.04 -0.02 0.00 -0.15 0.00 0.00 55.06 55.36 1iib s HIS 5 Cb -0.14 -2.23 0.04 0.00 1.11 0.00 0.00 32.58 31.36 1iib s HIS 5 CO 0.19 -0.10 -0.03 0.42 -0.85 0.00 0.00 174.74 174.38 1iib s ILE 6 N 1.21 2.97 -0.16 0.60 1.01 0.78 -0.79 121.20 126.82 1iib s ILE 6 Ca 0.06 -1.20 -0.03 0.00 0.00 0.00 0.00 60.65 59.48 1iib s ILE 6 Cb -0.14 -2.61 -0.02 0.00 0.01 0.00 0.00 42.46 39.69 1iib s ILE 6 CO 0.05 0.04 -0.06 -0.31 0.00 0.00 0.00 174.94 174.65 1iib s TYR 7 N 1.29 2.96 -0.10 3.97 2.02 -1.07 -1.86 117.35 124.56 1iib s TYR 7 Ca -0.03 -0.48 -0.03 0.00 -0.37 0.00 0.00 57.07 56.17 1iib s TYR 7 Cb -0.18 -1.95 -0.03 0.00 -0.40 0.00 0.00 41.96 39.39 1iib s TYR 7 CO -0.02 -0.15 0.03 -0.51 -1.57 0.00 0.00 175.55 173.32 1iib s LEU 8 N 0.52 3.72 -0.04 -1.29 1.02 0.14 -1.09 118.68 121.66 1iib s LEU 8 Ca -0.05 0.18 0.03 0.00 0.02 0.00 0.00 54.13 54.31 1iib s LEU 8 Cb -0.15 -1.87 0.00 0.00 0.02 0.00 0.00 46.19 44.19 1iib s LEU 8 CO 0.03 0.35 -0.14 -0.36 0.02 0.00 0.00 176.35 176.25 1iib s PHE 9 N -0.72 1.46 0.08 0.29 0.08 -0.34 -0.73 117.98 118.11 1iib s PHE 9 Ca 0.12 -0.43 -0.26 0.00 0.12 0.00 0.00 56.93 56.48 1iib s PHE 9 Cb -0.12 -1.01 0.08 0.00 -0.57 0.00 0.00 43.02 41.41 1iib s PHE 9 CO 0.02 -0.17 0.81 0.45 -0.10 0.00 0.00 175.22 176.24 1iib s SER 10 N 0.18 -0.38 0.00 1.36 0.15 -1.00 -1.24 113.70 112.77 1iib s SER 10 Ca -0.05 -0.11 0.26 0.00 0.70 0.00 0.00 55.95 56.75 1iib s SER 10 Cb -0.11 0.48 0.71 0.00 -1.71 0.00 0.00 66.02 65.39 1iib s SER 10 CO 0.02 -0.81 1.54 -1.54 1.20 0.00 0.00 173.24 173.65 1iib n SER 11 N -0.33 1.18 -4.23 5.45 3.41 -1.26 -2.88 113.62 114.95 1iib n SER 11 Ca -0.10 -1.01 -0.42 0.00 -0.26 0.00 0.00 58.87 57.07 1iib n SER 11 Cb 0.62 0.15 -0.06 0.00 -0.26 0.00 0.00 64.21 64.67 1iib n SER 11 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 1iib s ALA 12 N -2.45 3.76 0.05 7.33 0.00 -1.26 -5.00 121.76 124.19 1iib s ALA 12 Ca 0.25 -3.10 -0.26 0.00 0.00 0.00 0.00 51.96 48.85 1iib s ALA 12 Cb 0.19 -3.10 -0.17 0.00 0.00 0.00 0.00 23.12 20.04 1iib s ALA 12 CO 0.51 -2.13 1.49 0.78 0.00 0.00 0.00 175.76 176.40 1iib h GLY 13 N 7.75 -0.37 0.84 0.00 0.00 -1.96 -2.98 103.07 106.35 1iib h GLY 13 Ca -0.02 0.14 -0.00 0.00 0.00 0.00 0.00 47.33 47.44 1iib h GLY 13 CO 0.78 -0.13 0.01 -0.33 0.00 0.00 0.00 176.54 176.87 1iib h MET 14 N -0.52 0.03 -0.52 4.80 2.86 -1.99 -1.49 114.93 118.11 1iib h MET 14 Ca -0.04 -0.01 -0.04 0.00 -2.06 0.00 0.00 59.70 57.56 1iib h MET 14 Cb 0.39 -0.01 -0.02 0.00 0.06 0.00 0.00 31.60 32.02 1iib h MET 14 CO 0.06 0.19 0.16 0.66 1.06 0.00 0.00 176.91 179.04 1iib h SER 15 N -0.13 0.71 -0.28 1.22 4.64 -2.00 0.03 113.55 117.74 1iib h SER 15 Ca 0.01 -0.11 -0.14 0.00 -0.47 0.00 0.00 61.79 61.08 1iib h SER 15 Cb 0.17 -0.18 -0.01 0.00 -0.31 0.00 0.00 62.40 62.07 1iib h SER 15 CO -0.00 0.68 -0.33 0.74 -0.87 0.00 0.00 176.83 177.05 1iib h THR 16 N 0.75 1.28 -0.24 2.95 2.02 -1.46 -1.87 112.91 116.34 1iib h THR 16 Ca 0.17 -1.49 -0.13 0.00 0.77 0.00 0.00 66.41 65.74 1iib h THR 16 Cb 0.23 1.35 -0.01 0.00 -1.74 0.00 0.00 68.15 67.98 1iib h THR 16 CO -0.01 0.49 -0.38 0.28 0.37 0.00 0.00 175.52 176.28 1iib h SER 17 N 0.67 0.58 -0.28 4.18 0.02 -0.83 -1.73 113.55 116.17 1iib h SER 17 Ca 0.07 -0.25 -0.01 0.00 -0.84 0.00 0.00 61.79 60.77 1iib h SER 17 Cb 0.87 -0.16 -0.01 0.00 0.14 0.00 0.00 62.40 63.24 1iib h SER 17 CO 0.08 0.90 0.14 0.25 -1.14 0.00 0.00 176.83 177.06 1iib h LEU 18 N 0.46 0.36 -0.48 5.07 5.85 -0.75 -1.66 115.31 124.16 1iib h LEU 18 Ca 0.04 -0.11 0.01 0.00 0.84 0.00 0.00 57.88 58.67 1iib h LEU 18 Cb 0.86 -0.09 -0.03 0.00 0.37 0.00 0.00 40.66 41.77 1iib h LEU 18 CO 0.07 0.36 0.30 0.25 -0.34 0.00 0.00 178.44 179.08 1iib h LEU 19 N 0.32 0.50 -1.03 2.25 5.85 -1.17 -2.21 115.31 119.81 1iib h LEU 19 Ca 0.10 -0.00 0.02 0.00 0.84 0.00 0.00 57.88 58.83 1iib h LEU 19 Cb 0.09 -0.11 -0.05 0.00 0.37 0.00 0.00 40.66 40.96 1iib h LEU 19 CO -0.01 0.36 0.66 0.58 -0.34 0.00 0.00 178.44 179.68 1iib h VAL 20 N 0.60 1.22 -0.37 1.05 2.07 -1.08 0.56 116.25 120.30 1iib h VAL 20 Ca 0.18 -0.45 -0.09 0.00 0.82 0.00 0.00 66.70 67.16 1iib h VAL 20 Cb -0.02 -0.21 -0.02 0.00 -1.52 0.00 0.00 31.29 29.53 1iib h VAL 20 CO -0.07 0.24 -0.15 0.77 0.02 0.00 0.00 177.57 178.39 1iib h SER 21 N 1.31 0.67 -0.34 0.57 4.64 -0.87 -0.86 113.55 118.67 1iib h SER 21 Ca 0.38 -0.20 -0.17 0.00 -0.47 0.00 0.00 61.79 61.33 1iib h SER 21 Cb -0.10 -0.18 -0.00 0.00 -0.31 0.00 0.00 62.40 61.81 1iib h SER 21 CO -0.10 0.83 -0.44 0.11 -0.87 0.00 0.00 176.83 176.37 1iib h LYS 22 N 0.61 0.91 -0.66 4.77 1.79 -0.75 -2.50 116.57 120.74 1iib h LYS 22 Ca 0.10 -0.51 -0.07 0.00 -2.18 0.00 0.00 60.65 57.99 1iib h LYS 22 Cb 0.60 0.03 -0.03 0.00 -1.58 0.00 0.00 32.23 31.25 1iib h LYS 22 CO 0.04 1.16 0.13 0.52 -1.08 0.00 0.00 179.45 180.21 1iib h MET 23 N 0.73 1.07 -0.57 3.15 2.86 -0.71 -2.28 114.93 119.18 1iib h MET 23 Ca 0.05 -0.28 -0.04 0.00 -2.06 0.00 0.00 59.70 57.37 1iib h MET 23 Cb 1.04 -0.13 -0.03 0.00 0.06 0.00 0.00 31.60 32.54 1iib h MET 23 CO 0.10 0.98 0.19 0.00 1.06 0.00 0.00 176.91 179.24 1iib h ARG 24 N 0.99 0.85 -0.53 1.72 3.08 -1.10 -0.22 114.38 119.17 1iib h ARG 24 Ca 0.20 -0.15 -0.05 0.00 0.07 0.00 0.00 59.98 60.06 1iib h ARG 24 Cb 0.41 -0.14 -0.02 0.00 0.08 0.00 0.00 29.97 30.30 1iib h ARG 24 CO 0.01 0.72 0.14 0.00 -1.07 0.00 0.00 179.97 179.77 1iib h ALA 25 N 1.39 0.70 -0.47 0.04 0.00 -1.15 -1.84 119.26 117.92 1iib h ALA 25 Ca 0.19 -0.21 -0.07 0.00 0.00 0.00 0.00 54.91 54.82 1iib h ALA 25 Cb 0.22 -0.20 -0.02 0.00 0.00 0.00 0.00 17.79 17.79 1iib h ALA 25 CO -0.01 0.38 0.01 1.96 0.00 0.00 0.00 179.25 181.59 1iib h GLN 26 N 0.74 0.83 -0.22 0.00 1.08 -0.93 -1.84 115.11 114.77 1iib h GLN 26 Ca 0.17 -0.26 -0.02 0.00 -1.45 0.00 0.00 58.65 57.08 1iib h GLN 26 Cb 0.32 -0.08 -0.01 0.00 -0.05 0.00 0.00 27.48 27.66 1iib h GLN 26 CO -0.00 0.88 0.04 0.00 -0.95 0.00 0.00 178.83 178.79 1iib h ALA 27 N 0.93 1.65 0.02 3.87 0.00 -0.87 -2.10 119.26 122.76 1iib h ALA 27 Ca 0.14 -0.11 -0.27 0.00 0.00 0.00 0.00 54.91 54.67 1iib h ALA 27 Cb 0.50 -0.10 0.02 0.00 0.00 0.00 0.00 17.79 18.21 1iib h ALA 27 CO 0.02 0.27 -1.06 1.49 0.00 0.00 0.00 179.25 179.97 1iib h GLU 28 N 0.32 0.68 -0.68 0.00 4.57 -1.05 0.19 114.58 118.60 1iib h GLU 28 Ca 0.08 -0.76 0.01 0.00 -1.18 0.00 0.00 59.36 57.51 1iib h GLU 28 Cb 0.16 0.22 -0.04 0.00 -0.16 0.00 0.00 28.75 28.93 1iib h GLU 28 CO -0.00 1.33 0.45 -0.22 -1.18 0.00 0.00 179.01 179.38 1iib h LYS 29 N 0.35 0.87 -0.67 1.92 3.64 -1.06 -2.80 116.57 118.83 1iib h LYS 29 Ca -0.14 -0.05 0.00 0.00 -1.27 0.00 0.00 60.65 59.19 1iib h LYS 29 Cb 1.72 -0.20 0.00 0.00 -0.41 0.00 0.00 32.23 33.34 1iib h LYS 29 CO 0.21 0.58 0.00 0.66 -2.27 0.00 0.00 179.45 178.63 1iib n TYR 30 N -4.63 1.22 -4.04 1.91 4.01 -0.81 -4.97 117.16 109.84 1iib n TYR 30 Ca 0.06 -0.56 -0.30 0.00 -0.16 0.00 0.00 57.90 56.94 1iib n TYR 30 Cb 0.03 -0.13 -0.02 0.00 -0.31 0.00 0.00 39.34 38.92 1iib n TYR 30 CO 0.00 0.00 0.00 0.39 -0.46 0.00 0.00 176.86 176.79 1iib n GLU 31 N 1.29 -3.59 -2.63 -0.72 1.02 -0.44 -4.92 120.64 110.64 1iib n GLU 31 Ca 0.25 0.42 -0.43 0.00 -0.02 0.00 0.00 57.16 57.38 1iib n GLU 31 Cb 0.76 -4.88 -0.02 0.00 -0.02 0.00 0.00 31.44 27.27 1iib n GLU 31 CO 0.00 0.00 0.00 0.08 1.18 0.00 0.00 177.13 178.39 1iib s VAL 32 N -3.62 4.65 -1.16 2.62 1.01 0.55 -4.94 120.40 119.51 1iib s VAL 32 Ca 0.37 1.97 -0.20 0.00 0.00 0.00 0.00 61.98 64.11 1iib s VAL 32 Cb -0.20 -4.27 -0.04 0.00 0.00 0.00 0.00 36.38 31.87 1iib s VAL 32 CO 0.89 -0.13 1.94 -0.81 0.00 0.00 0.00 175.10 176.99 1iib n PRO 33 N 6.02 2.20 -4.10 2.72 -0.04 -1.26 -4.77 135.00 135.78 1iib n PRO 33 Ca 0.11 -2.54 -0.10 0.00 -0.04 0.00 0.00 63.50 60.94 1iib n PRO 33 Cb 0.46 -3.38 -0.10 0.00 -0.04 0.00 0.00 33.50 30.44 1iib n PRO 33 CO 0.00 0.00 0.00 0.14 -0.04 0.00 0.00 175.50 175.60 1iib s VAL 34 N 6.35 0.42 -0.10 0.52 -7.23 -1.26 -1.40 120.40 117.69 1iib s VAL 34 Ca 0.58 -1.58 0.03 0.00 -1.81 0.00 0.00 61.98 59.20 1iib s VAL 34 Cb 0.07 -1.22 -0.00 0.00 0.56 0.00 0.00 36.38 35.79 1iib s VAL 34 CO 0.08 -0.77 -0.22 -0.63 -0.31 0.00 0.00 175.10 173.24 1iib s ILE 35 N -2.98 2.21 -0.08 -0.62 1.01 0.13 -4.87 121.20 115.98 1iib s ILE 35 Ca 0.02 -0.97 0.03 0.00 0.00 0.00 0.00 60.65 59.73 1iib s ILE 35 Cb 0.01 -1.85 0.01 0.00 0.01 0.00 0.00 42.46 40.63 1iib s ILE 35 CO -0.05 0.55 -0.18 -0.63 0.00 0.00 0.00 174.94 174.64 1iib s ILE 36 N 0.33 1.60 0.02 2.92 1.01 -1.26 -0.16 121.20 125.66 1iib s ILE 36 Ca -0.17 -0.75 -0.00 0.00 0.00 0.00 0.00 60.65 59.73 1iib s ILE 36 Cb -0.18 -1.41 -0.02 0.00 0.01 0.00 0.00 42.46 40.87 1iib s ILE 36 CO 0.08 0.46 -0.02 -1.61 0.00 0.00 0.00 174.94 173.85 1iib s GLU 37 N 0.53 0.31 0.02 2.79 0.41 -0.78 -5.00 118.70 116.98 1iib s GLU 37 Ca -0.16 -0.58 0.05 0.00 -0.41 0.00 0.00 54.97 53.87 1iib s GLU 37 Cb -0.17 0.11 -0.03 0.00 -1.78 0.00 0.00 34.13 32.26 1iib s GLU 37 CO 0.06 -0.05 -0.10 0.00 -0.49 0.00 0.00 175.26 174.67 1iib s ALA 38 N -1.40 2.88 0.12 5.21 0.00 -1.26 -0.68 121.76 126.63 1iib s ALA 38 Ca -0.15 -1.09 -0.06 0.00 0.00 0.00 0.00 51.96 50.66 1iib s ALA 38 Cb -0.10 -0.99 -0.02 0.00 0.00 0.00 0.00 23.12 22.02 1iib s ALA 38 CO -0.01 0.60 0.16 -0.06 0.00 0.00 0.00 175.76 176.46 1iib s PHE 39 N -0.99 0.47 0.59 0.00 0.08 0.09 -4.93 117.98 113.29 1iib s PHE 39 Ca 0.17 -0.88 -0.15 0.00 0.12 0.00 0.00 56.93 56.19 1iib s PHE 39 Cb -0.11 -0.21 -0.04 0.00 -0.57 0.00 0.00 43.02 42.09 1iib s PHE 39 CO 0.07 -0.58 1.04 -1.25 -0.10 0.00 0.00 175.22 174.40 1iib s PRO 40 N -3.95 3.44 0.61 0.24 0.04 -1.26 -2.37 135.00 131.75 1iib s PRO 40 Ca 0.14 1.06 0.30 0.00 0.04 0.00 0.00 61.00 62.55 1iib s PRO 40 Cb 0.05 -2.06 1.69 0.00 0.04 0.00 0.00 34.50 34.23 1iib s PRO 40 CO -0.04 -0.70 2.06 1.05 0.04 0.00 0.00 177.00 179.41 1iib h GLU 41 N 0.31 0.00 0.00 4.56 9.09 -1.85 -1.97 114.58 124.73 1iib h GLU 41 Ca -0.46 0.00 -0.02 0.00 0.05 0.00 0.00 59.36 58.92 1iib h GLU 41 Cb 1.21 0.00 -0.00 0.00 -1.65 0.00 0.00 28.75 28.30 1iib h GLU 41 CO 0.59 0.00 -0.12 1.79 0.05 0.00 0.00 179.01 181.32 1iib h THR 42 N 0.00 0.51 -0.34 -1.06 1.35 -1.91 -2.53 112.91 108.93 1iib h THR 42 Ca 0.09 -0.56 0.00 0.00 -0.55 0.00 0.00 66.41 65.39 1iib h THR 42 Cb 0.60 1.37 0.00 0.00 -1.73 0.00 0.00 68.15 68.40 1iib h THR 42 CO -0.00 0.11 0.00 0.18 -0.25 0.00 0.00 175.52 175.56 1iib n LEU 43 N -3.56 2.36 -0.28 3.87 4.77 -0.74 -4.49 117.00 118.92 1iib n LEU 43 Ca -0.02 -1.09 0.17 0.00 -0.03 0.00 0.00 56.01 55.05 1iib n LEU 43 Cb 0.25 -0.23 0.45 0.00 -2.33 0.00 0.00 43.42 41.56 1iib n LEU 43 CO 0.30 0.54 1.22 0.00 -1.33 0.00 0.00 177.39 178.12 1iib h ALA 44 N 4.04 2.04 0.10 -1.18 0.00 -1.60 0.61 119.26 123.28 1iib h ALA 44 Ca 0.00 0.04 -0.21 0.00 0.00 0.00 0.00 54.91 54.74 1iib h ALA 44 Cb 0.64 -0.05 0.00 0.00 0.00 0.00 0.00 17.79 18.38 1iib h ALA 44 CO 0.00 -0.35 -1.01 0.78 0.00 0.00 0.00 179.25 178.66 1iib h GLY 45 N 0.53 0.24 1.00 0.00 0.00 -1.84 -2.15 103.07 100.84 1iib h GLY 45 Ca 0.51 -0.62 -0.10 0.00 0.00 0.00 0.00 47.33 47.11 1iib h GLY 45 CO -0.24 0.54 -0.14 -2.09 0.00 0.00 0.00 176.54 174.61 1iib h GLU 46 N -0.47 0.81 0.11 4.80 4.81 -1.75 -3.12 114.58 119.76 1iib h GLU 46 Ca -0.21 -0.33 -0.36 0.00 -0.13 0.00 0.00 59.36 58.33 1iib h GLU 46 Cb 1.59 -0.04 -0.02 0.00 0.63 0.00 0.00 28.75 30.91 1iib h GLU 46 CO 0.06 0.96 -1.98 1.63 -0.73 0.00 0.00 179.01 178.94 1iib n LYS 47 N -4.28 0.75 -0.17 1.92 4.76 0.17 -4.31 118.16 116.99 1iib n LYS 47 Ca -0.01 0.27 0.19 0.00 -2.87 0.00 0.00 58.31 55.89 1iib n LYS 47 Cb 0.39 -1.70 0.56 0.00 -1.84 0.00 0.00 35.03 32.45 1iib n LYS 47 CO 0.00 0.00 0.00 0.78 -1.37 0.00 0.00 177.40 176.81 1iib h GLY 48 N 1.02 0.57 2.00 0.72 0.00 -1.43 -0.21 103.07 105.74 1iib h GLY 48 Ca -0.43 -0.13 -0.01 0.00 0.00 0.00 0.00 47.33 46.76 1iib h GLY 48 CO 0.06 0.02 -0.05 0.06 0.00 0.00 0.00 176.54 176.63 1iib h GLN 49 N 0.29 0.00 -0.17 4.80 3.07 -1.71 -1.01 115.11 120.39 1iib h GLN 49 Ca 0.40 0.00 0.00 0.00 0.09 0.00 0.00 58.65 59.14 1iib h GLN 49 Cb 1.11 0.00 0.00 0.00 0.08 0.00 0.00 27.48 28.67 1iib h GLN 49 CO -0.11 0.05 0.00 0.09 0.09 0.00 0.00 178.83 178.96 1iib n ASN 50 N -3.62 2.43 -4.93 0.06 3.02 -0.09 -4.96 115.26 107.17 1iib n ASN 50 Ca -0.02 -1.81 -0.26 0.00 -0.03 0.00 0.00 54.58 52.46 1iib n ASN 50 Cb 0.16 -0.10 -0.02 0.00 -0.61 0.00 0.00 39.78 39.21 1iib n ASN 50 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 1iib s ALA 51 N -1.79 3.64 -0.14 5.41 0.00 -0.38 -4.86 121.76 123.64 1iib s ALA 51 Ca 0.34 -0.76 0.19 0.00 0.00 0.00 0.00 51.96 51.73 1iib s ALA 51 Cb 0.20 -2.22 -0.17 0.00 0.00 0.00 0.00 23.12 20.94 1iib s ALA 51 CO 0.30 0.02 0.69 -0.25 0.00 0.00 0.00 175.76 176.52 1iib n ASP 52 N -1.59 0.58 -3.69 0.00 8.00 0.03 -4.89 116.55 114.99 1iib n ASP 52 Ca -0.03 0.25 -0.12 0.00 0.71 0.00 0.00 54.79 55.60 1iib n ASP 52 Cb 0.55 0.68 -0.09 0.00 -0.02 0.00 0.00 41.12 42.24 1iib n ASP 52 CO 0.00 0.00 0.00 0.54 -0.39 0.00 0.00 177.20 177.35 1iib s VAL 53 N -3.06 -0.01 -0.25 2.53 0.11 -1.19 -4.37 120.40 114.17 1iib s VAL 53 Ca -0.04 0.03 -0.06 0.00 -2.93 0.00 0.00 61.98 58.97 1iib s VAL 53 Cb 0.09 -0.74 -0.01 0.00 -1.53 0.00 0.00 36.38 34.19 1iib s VAL 53 CO 0.83 0.01 0.04 -0.69 -3.33 0.00 0.00 175.10 171.96 1iib s VAL 54 N 0.82 3.94 -0.14 2.04 1.01 -0.58 -2.60 120.40 124.89 1iib s VAL 54 Ca -0.04 -0.39 -0.03 0.00 0.00 0.00 0.00 61.98 61.52 1iib s VAL 54 Cb -0.05 -2.87 -0.03 0.00 0.00 0.00 0.00 36.38 33.43 1iib s VAL 54 CO -0.07 0.31 -0.05 -0.76 0.00 0.00 0.00 175.10 174.53 1iib s LEU 55 N 1.55 3.17 -0.12 3.92 1.43 -0.25 -1.56 118.68 126.81 1iib s LEU 55 Ca 0.05 -0.14 -0.04 0.00 -1.03 0.00 0.00 54.13 52.98 1iib s LEU 55 Cb -0.15 -1.75 -0.03 0.00 0.03 0.00 0.00 46.19 44.29 1iib s LEU 55 CO 0.01 0.19 0.01 -0.76 0.23 0.00 0.00 176.35 176.04 1iib s LEU 56 N 0.21 3.59 0.61 1.79 1.43 0.16 -1.20 118.68 125.28 1iib s LEU 56 Ca -0.03 0.09 -0.17 0.00 -1.03 0.00 0.00 54.13 52.98 1iib s LEU 56 Cb -0.14 -1.85 -0.02 0.00 0.03 0.00 0.00 46.19 44.21 1iib s LEU 56 CO 0.03 0.29 1.15 -0.83 0.23 0.00 0.00 176.35 177.22 1iib s GLY 57 N -0.38 2.45 0.45 -3.19 0.00 -0.37 -1.02 107.32 105.26 1iib s GLY 57 Ca 0.08 0.77 0.22 0.00 0.00 0.00 0.00 44.72 45.78 1iib s GLY 57 CO 0.02 1.14 1.87 -2.55 0.00 0.00 0.00 173.10 173.57 1iib h PRO 58 N 0.56 0.27 -0.33 2.90 0.11 -1.92 -1.24 132.00 132.35 1iib h PRO 58 Ca -0.49 -0.02 0.05 0.00 0.11 0.00 0.00 66.00 65.66 1iib h PRO 58 Cb 1.27 -0.06 -0.02 0.00 0.11 0.00 0.00 31.00 32.30 1iib h PRO 58 CO 0.55 0.18 0.22 1.96 -0.21 0.00 0.00 178.00 180.70 1iib h GLN 59 N 0.28 0.20 -0.30 1.05 7.50 -1.96 -2.29 115.11 119.59 1iib h GLN 59 Ca 0.45 -0.01 -0.12 0.00 0.50 0.00 0.00 58.65 59.47 1iib h GLN 59 Cb 1.32 -0.05 -0.07 0.00 0.05 0.00 0.00 27.48 28.73 1iib h GLN 59 CO -0.13 0.13 -0.06 0.44 -1.50 0.00 0.00 178.83 177.72 1iib n ILE 60 N -4.48 2.44 -0.17 2.54 -5.35 -0.47 -4.69 119.36 109.19 1iib n ILE 60 Ca 0.04 -2.50 0.10 0.00 -0.27 0.00 0.00 62.75 60.11 1iib n ILE 60 Cb 0.25 -0.30 0.41 0.00 -1.74 0.00 0.00 39.64 38.27 1iib n ILE 60 CO 0.00 0.00 0.00 0.00 -1.76 0.00 0.00 176.55 174.79 1iib h ALA 61 N 1.14 1.86 -0.24 -1.28 0.00 -1.39 -0.99 119.26 118.36 1iib h ALA 61 Ca 0.15 -0.01 0.07 0.00 0.00 0.00 0.00 54.91 55.12 1iib h ALA 61 Cb 1.56 -0.14 -0.01 0.00 0.00 0.00 0.00 17.79 19.21 1iib h ALA 61 CO 0.32 -0.01 0.24 0.10 0.00 0.00 0.00 179.25 179.90 1iib h TYR 62 N 0.61 0.00 -0.00 0.00 -0.00 -1.83 -1.59 116.97 114.16 1iib h TYR 62 Ca 0.33 0.00 0.00 0.00 0.00 0.00 0.00 58.73 59.06 1iib h TYR 62 Cb 0.48 0.00 0.00 0.00 0.00 0.00 0.00 36.73 37.21 1iib h TYR 62 CO -0.00 0.00 -0.03 -1.33 -0.00 0.00 0.00 178.16 176.80 1iib n MET 63 N -3.91 0.52 -0.24 0.10 2.81 -0.37 -4.49 117.12 111.52 1iib n MET 63 Ca 0.03 -0.05 -0.07 0.00 -1.81 0.00 0.00 57.70 55.80 1iib n MET 63 Cb 0.38 -1.50 -0.02 0.00 -0.71 0.00 0.00 33.22 31.37 1iib n MET 63 CO 0.00 0.00 0.00 1.25 1.51 0.00 0.00 175.97 178.73 1iib h LEU 64 N 0.12 -1.48 -1.04 4.03 5.85 -1.42 -1.61 115.31 119.76 1iib h LEU 64 Ca 0.00 0.26 0.09 0.00 0.84 0.00 0.00 57.88 59.07 1iib h LEU 64 Cb 0.29 0.69 -0.07 0.00 0.37 0.00 0.00 40.66 41.93 1iib h LEU 64 CO 0.00 -0.32 0.63 -0.65 -0.34 0.00 0.00 178.44 177.76 1iib h PRO 65 N -0.18 1.03 -0.11 5.25 0.11 -1.84 -0.44 132.00 135.82 1iib h PRO 65 Ca 0.21 -0.06 -0.17 0.00 0.11 0.00 0.00 66.00 66.08 1iib h PRO 65 Cb 0.56 -0.23 -0.01 0.00 0.11 0.00 0.00 31.00 31.43 1iib h PRO 65 CO -0.74 0.68 -0.67 1.05 -0.21 0.00 0.00 178.00 178.11 1iib h GLU 66 N 1.06 0.44 -0.34 1.05 4.11 -1.67 -1.38 114.58 117.85 1iib h GLU 66 Ca 0.46 -0.33 -0.10 0.00 0.07 0.00 0.00 59.36 59.46 1iib h GLU 66 Cb 0.34 0.06 -0.02 0.00 0.50 0.00 0.00 28.75 29.63 1iib h GLU 66 CO -0.21 0.95 -0.18 0.82 0.07 0.00 0.00 179.01 180.46 1iib h ILE 67 N 0.32 1.26 -0.55 -1.06 1.08 -0.70 0.20 117.51 118.06 1iib h ILE 67 Ca -0.02 -1.22 -0.07 0.00 -0.39 0.00 0.00 64.86 63.17 1iib h ILE 67 Cb 1.23 1.20 -0.02 0.00 -3.07 0.00 0.00 36.82 36.15 1iib h ILE 67 CO 0.12 0.40 0.08 1.56 -0.69 0.00 0.00 178.15 179.62 1iib h GLN 68 N 0.57 0.88 -0.10 2.37 4.20 -0.88 -0.26 115.11 121.89 1iib h GLN 68 Ca 0.09 -0.21 -0.13 0.00 0.06 0.00 0.00 58.65 58.46 1iib h GLN 68 Cb 0.63 -0.12 -0.01 0.00 0.30 0.00 0.00 27.48 28.29 1iib h GLN 68 CO 0.04 0.83 -0.52 0.00 -0.67 0.00 0.00 178.83 178.51 1iib h ARG 69 N 0.83 0.28 -0.31 1.46 3.08 -0.66 -2.87 114.38 116.19 1iib h ARG 69 Ca 0.17 -0.17 -0.11 0.00 0.07 0.00 0.00 59.98 59.95 1iib h ARG 69 Cb 0.38 0.01 -0.01 0.00 0.08 0.00 0.00 29.97 30.44 1iib h ARG 69 CO 0.01 0.73 -0.23 1.25 -1.07 0.00 0.00 179.97 180.66 1iib h LEU 70 N 0.22 0.73 -6.46 3.04 5.85 -0.44 -3.37 115.31 114.89 1iib h LEU 70 Ca 0.01 -0.44 -0.60 0.00 0.84 0.00 0.00 57.88 57.68 1iib h LEU 70 Cb 0.99 -0.20 -0.42 0.00 0.37 0.00 0.00 40.66 41.40 1iib h LEU 70 CO 0.08 1.02 -0.62 0.18 -0.34 0.00 0.00 178.44 178.76 1iib n LEU 71 N -4.30 3.26 0.29 2.25 4.77 -0.16 -4.97 117.00 118.14 1iib n LEU 71 Ca -0.03 -5.31 0.15 0.00 -0.03 0.00 0.00 56.01 50.79 1iib n LEU 71 Cb 0.44 -0.60 0.87 0.00 -2.33 0.00 0.00 43.42 41.80 1iib n LEU 71 CO 0.44 1.96 1.07 1.55 -1.33 0.00 0.00 177.39 181.08 1iib h PRO 72 N 4.57 0.00 -0.59 3.23 0.13 -1.68 -2.87 132.00 134.79 1iib h PRO 72 Ca 0.18 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.31 1iib h PRO 72 Cb 0.71 0.00 0.00 0.00 0.13 0.00 0.00 31.00 31.84 1iib h PRO 72 CO 0.77 0.05 0.00 0.27 -0.23 0.00 0.00 178.00 178.86 1iib n ASN 73 N -3.62 5.64 -4.10 1.44 6.94 -1.26 -4.95 115.26 115.35 1iib n ASN 73 Ca -0.02 -2.90 -0.20 0.00 -0.02 0.00 0.00 54.58 51.44 1iib n ASN 73 Cb 0.16 -0.68 -0.14 0.00 -2.36 0.00 0.00 39.78 36.76 1iib n ASN 73 CO 0.00 0.00 0.00 -0.54 -1.03 0.00 0.00 177.26 175.69 1iib s LYS 74 N -2.71 0.89 -0.04 -3.83 -0.14 -1.08 -5.11 119.74 107.72 1iib s LYS 74 Ca 0.54 -0.62 -0.30 0.00 -1.36 0.00 0.00 55.97 54.23 1iib s LYS 74 Cb 0.41 -0.87 -0.04 0.00 -1.68 0.00 0.00 37.83 35.65 1iib s LYS 74 CO 0.16 0.22 1.21 -1.25 -0.76 0.00 0.00 175.35 174.93 1iib s PRO 75 N -0.82 4.36 -0.09 -1.68 0.04 -1.26 -4.96 135.00 130.58 1iib s PRO 75 Ca 0.02 1.69 0.02 0.00 0.04 0.00 0.00 61.00 62.77 1iib s PRO 75 Cb -0.07 -3.54 0.01 0.00 0.04 0.00 0.00 34.50 30.95 1iib s PRO 75 CO 0.01 -0.43 -0.16 0.08 0.04 0.00 0.00 177.00 176.53 1iib s VAL 76 N 2.12 1.49 0.09 -0.36 1.01 -1.26 -1.53 120.40 121.95 1iib s VAL 76 Ca 0.56 -0.66 -0.12 0.00 0.00 0.00 0.00 61.98 61.76 1iib s VAL 76 Cb -0.25 -1.35 0.01 0.00 0.00 0.00 0.00 36.38 34.79 1iib s VAL 76 CO 0.23 0.44 0.27 -1.83 0.00 0.00 0.00 175.10 174.20 1iib s GLU 77 N 0.77 0.89 0.04 2.72 -1.05 -0.60 -5.00 118.70 116.47 1iib s GLU 77 Ca -0.11 -0.79 -0.21 0.00 -0.15 0.00 0.00 54.97 53.71 1iib s GLU 77 Cb -0.16 0.38 -0.06 0.00 -0.44 0.00 0.00 34.13 33.85 1iib s GLU 77 CO 0.02 -0.30 0.62 0.08 0.95 0.00 0.00 175.26 176.63 1iib s VAL 78 N -3.53 4.79 0.24 1.83 1.01 -1.26 -0.67 120.40 122.81 1iib s VAL 78 Ca 0.02 1.32 -0.30 0.00 0.00 0.00 0.00 61.98 63.02 1iib s VAL 78 Cb 0.03 -3.96 -0.09 0.00 0.00 0.00 0.00 36.38 32.36 1iib s VAL 78 CO -0.09 0.46 1.15 -0.63 0.00 0.00 0.00 175.10 175.99 1iib s ILE 79 N -0.54 3.48 0.15 2.22 1.01 -0.19 -4.87 121.20 122.45 1iib s ILE 79 Ca 0.32 1.38 -0.33 0.00 0.00 0.00 0.00 60.65 62.02 1iib s ILE 79 Cb -0.19 -3.88 -0.13 0.00 0.01 0.00 0.00 42.46 38.27 1iib s ILE 79 CO 0.19 0.29 1.69 -0.67 0.00 0.00 0.00 174.94 176.44 1iib n ASP 80 N 1.70 3.56 -0.18 3.58 -0.08 -1.26 -4.38 116.55 119.49 1iib n ASP 80 Ca 0.01 1.05 0.07 0.00 -1.51 0.00 0.00 54.79 54.41 1iib n ASP 80 Cb 0.45 -1.49 0.36 0.00 2.34 0.00 0.00 41.12 42.78 1iib n ASP 80 CO 0.00 0.00 0.00 0.77 0.12 0.00 0.00 177.20 178.09 1iib h SER 81 N 6.90 0.65 -0.22 1.67 4.64 -1.99 -1.68 113.55 123.52 1iib h SER 81 Ca -0.45 0.00 -0.19 0.00 -0.47 0.00 0.00 61.79 60.68 1iib h SER 81 Cb 1.23 -0.13 0.00 0.00 -0.31 0.00 0.00 62.40 63.19 1iib h SER 81 CO 0.92 0.42 -0.61 -0.07 -0.87 0.00 0.00 176.83 176.62 1iib h LEU 82 N 0.74 0.92 -0.86 5.97 -0.00 -1.99 -0.57 115.31 119.53 1iib h LEU 82 Ca 0.31 -0.58 -0.07 0.00 -0.00 0.00 0.00 57.88 57.55 1iib h LEU 82 Cb 0.28 -0.27 -0.03 0.00 -0.00 0.00 0.00 40.66 40.64 1iib h LEU 82 CO -0.10 1.33 0.10 -0.07 -0.00 0.00 0.00 178.44 179.70 1iib h LEU 83 N 0.55 0.90 -0.15 1.67 3.38 -1.89 -1.26 115.31 118.51 1iib h LEU 83 Ca -0.01 -0.20 -0.04 0.00 0.09 0.00 0.00 57.88 57.72 1iib h LEU 83 Cb 1.23 -0.24 -0.00 0.00 0.09 0.00 0.00 40.66 41.74 1iib h LEU 83 CO 0.13 0.90 -0.06 0.22 0.09 0.00 0.00 178.44 179.73 1iib h TYR 84 N 0.90 0.35 -0.58 1.13 5.03 -1.28 0.12 116.97 122.63 1iib h TYR 84 Ca 0.18 -0.08 -0.01 0.00 2.58 0.00 0.00 58.73 61.40 1iib h TYR 84 Cb 0.39 -0.08 -0.03 0.00 1.55 0.00 0.00 36.73 38.56 1iib h TYR 84 CO 0.03 0.61 0.34 0.78 -1.32 0.00 0.00 178.16 178.59 1iib h GLY 85 N -0.01 0.85 -0.38 1.82 0.00 -0.96 -1.65 103.07 102.75 1iib h GLY 85 Ca 0.04 -0.35 0.00 0.00 0.00 0.00 0.00 47.33 47.01 1iib h GLY 85 CO 0.02 0.34 0.00 0.28 0.00 0.00 0.00 176.54 177.18 1iib n LYS 86 N -4.40 1.57 -3.81 4.80 5.02 -0.49 -4.93 118.16 115.92 1iib n LYS 86 Ca 0.05 -0.84 -0.23 0.00 -2.02 0.00 0.00 58.31 55.27 1iib n LYS 86 Cb 0.09 -1.43 0.01 0.00 -0.02 0.00 0.00 35.03 33.68 1iib n LYS 86 CO 0.00 0.00 0.00 0.28 -0.52 0.00 0.00 177.40 177.16 1iib n VAL 87 N 0.04 -3.79 -2.68 -0.18 0.31 -0.62 -4.87 118.33 106.54 1iib n VAL 87 Ca 0.18 -0.47 -0.42 0.00 -0.01 0.00 0.00 64.34 63.62 1iib n VAL 87 Cb 0.30 -3.30 -0.02 0.00 -0.91 0.00 0.00 33.84 29.91 1iib n VAL 87 CO 0.00 0.00 0.00 -0.62 -1.32 0.00 0.00 176.83 174.89 1iib s ASP 88 N -4.30 6.70 0.23 4.52 -1.08 0.33 -4.85 116.67 118.23 1iib s ASP 88 Ca 0.04 -2.07 -0.07 0.00 -0.52 0.00 0.00 52.55 49.94 1iib s ASP 88 Cb -0.02 -2.52 0.31 0.00 -1.46 0.00 0.00 42.92 39.23 1iib s ASP 88 CO 0.84 -1.23 1.83 1.23 0.52 0.00 0.00 175.17 178.36 1iib h GLY 89 N 11.93 1.18 1.16 2.66 0.00 -1.86 -0.87 103.07 117.27 1iib h GLY 89 Ca 0.29 -0.33 -0.18 0.00 0.00 0.00 0.00 47.33 47.11 1iib h GLY 89 CO 1.36 0.20 -0.51 -2.00 0.00 0.00 0.00 176.54 175.59 1iib h LEU 90 N 0.83 0.98 -0.21 3.11 5.85 -1.88 -1.49 115.31 122.50 1iib h LEU 90 Ca 0.35 -0.51 -0.00 0.00 0.84 0.00 0.00 57.88 58.56 1iib h LEU 90 Cb 0.22 -0.28 -0.01 0.00 0.37 0.00 0.00 40.66 40.95 1iib h LEU 90 CO -0.19 1.31 0.13 1.23 -0.34 0.00 0.00 178.44 180.58 1iib h GLY 91 N 0.71 0.31 1.22 3.75 0.00 -1.87 -0.13 103.07 107.06 1iib h GLY 91 Ca 0.02 -0.13 -0.13 0.00 0.00 0.00 0.00 47.33 47.10 1iib h GLY 91 CO 0.12 0.12 -0.24 -2.08 0.00 0.00 0.00 176.54 174.46 1iib h VAL 92 N 0.26 1.27 -0.81 4.60 2.07 -1.19 -2.50 116.25 119.95 1iib h VAL 92 Ca 0.08 -1.39 0.00 0.00 0.82 0.00 0.00 66.70 66.21 1iib h VAL 92 Cb 0.02 1.19 -0.04 0.00 -1.52 0.00 0.00 31.29 30.94 1iib h VAL 92 CO -0.01 0.47 0.51 0.25 0.02 0.00 0.00 177.57 178.80 1iib h LEU 93 N 0.77 0.95 -0.37 2.57 5.85 -0.91 -1.21 115.31 122.97 1iib h LEU 93 Ca 0.10 -0.05 -0.02 0.00 0.84 0.00 0.00 57.88 58.75 1iib h LEU 93 Cb 0.79 -0.24 -0.02 0.00 0.37 0.00 0.00 40.66 41.56 1iib h LEU 93 CO 0.07 0.71 0.16 0.11 -0.34 0.00 0.00 178.44 179.14 1iib h LYS 94 N 1.10 0.54 -0.82 1.25 1.57 -0.85 -1.50 116.57 117.86 1iib h LYS 94 Ca 0.29 -0.09 -0.02 0.00 -1.87 0.00 0.00 60.65 58.96 1iib h LYS 94 Cb -0.08 -0.09 -0.04 0.00 0.08 0.00 0.00 32.23 32.10 1iib h LYS 94 CO -0.06 0.51 0.44 0.00 -0.57 0.00 0.00 179.45 179.77 1iib h ALA 95 N 1.00 1.24 -0.21 3.86 0.00 -1.10 -0.92 119.26 123.12 1iib h ALA 95 Ca 0.12 -0.13 -0.01 0.00 0.00 0.00 0.00 54.91 54.89 1iib h ALA 95 Cb 0.17 -0.33 -0.01 0.00 0.00 0.00 0.00 17.79 17.62 1iib h ALA 95 CO -0.01 0.61 0.08 0.00 0.00 0.00 0.00 179.25 179.93 1iib h ALA 96 N 1.34 0.28 -0.60 0.00 0.00 -0.99 -1.35 119.26 117.94 1iib h ALA 96 Ca 0.29 -0.12 -0.05 0.00 0.00 0.00 0.00 54.91 55.02 1iib h ALA 96 Cb 0.04 -0.08 -0.03 0.00 0.00 0.00 0.00 17.79 17.72 1iib h ALA 96 CO -0.04 -0.12 0.16 0.28 0.00 0.00 0.00 179.25 179.53 1iib h VAL 97 N 0.18 1.24 -0.24 0.00 2.07 -0.92 -2.33 116.25 116.24 1iib h VAL 97 Ca 0.07 -0.83 -0.00 0.00 0.82 0.00 0.00 66.70 66.75 1iib h VAL 97 Cb 0.20 0.60 -0.01 0.00 -1.52 0.00 0.00 31.29 30.56 1iib h VAL 97 CO -0.00 0.32 0.15 0.00 0.02 0.00 0.00 177.57 178.05 1iib h ALA 98 N 1.29 0.30 -1.00 1.67 0.00 -1.01 -2.36 119.26 118.16 1iib h ALA 98 Ca 0.19 -0.04 0.05 0.00 0.00 0.00 0.00 54.91 55.12 1iib h ALA 98 Cb 0.29 -0.10 -0.06 0.00 0.00 0.00 0.00 17.79 17.92 1iib h ALA 98 CO -0.00 -0.20 0.65 0.00 0.00 0.00 0.00 179.25 179.70 1iib h ALA 99 N 1.06 1.38 -0.66 0.00 0.00 -0.87 -0.43 119.26 119.73 1iib h ALA 99 Ca 0.09 -0.04 -0.03 0.00 0.00 0.00 0.00 54.91 54.93 1iib h ALA 99 Cb 0.00 -0.33 -0.03 0.00 0.00 0.00 0.00 17.79 17.43 1iib h ALA 99 CO -0.02 0.50 0.29 0.82 0.00 0.00 0.00 179.25 180.85 1iib h ILE 100 N 1.22 1.23 -0.30 0.00 2.04 -1.05 -0.99 117.51 119.67 1iib h ILE 100 Ca 0.41 -0.69 -0.13 0.00 1.00 0.00 0.00 64.86 65.45 1iib h ILE 100 Cb 0.08 0.46 -0.00 0.00 -0.74 0.00 0.00 36.82 36.61 1iib h ILE 100 CO -0.15 0.28 -0.33 0.11 0.00 0.00 0.00 178.15 178.07 1iib h LYS 101 N 0.93 0.75 -0.86 2.37 1.57 -0.85 -2.50 116.57 117.97 1iib h LYS 101 Ca 0.22 -0.41 -0.02 0.00 -1.87 0.00 0.00 60.65 58.58 1iib h LYS 101 Cb 0.17 0.02 -0.04 0.00 0.08 0.00 0.00 32.23 32.45 1iib h LYS 101 CO -0.02 1.03 0.48 -0.22 -0.57 0.00 0.00 179.45 180.14 1iib h LYS 102 N 0.50 1.19 0.00 3.15 3.64 -0.98 -1.98 116.57 122.10 1iib h LYS 102 Ca 0.04 -0.13 -0.04 0.00 -1.27 0.00 0.00 60.65 59.25 1iib h LYS 102 Cb 0.91 -0.24 -0.01 0.00 -0.41 0.00 0.00 32.23 32.48 1iib h LYS 102 CO 0.08 0.87 -0.20 0.00 -2.27 0.00 0.00 179.45 177.93 1iib h ALA 103 N 1.32 1.62 0.00 5.00 0.00 -1.04 -2.41 119.26 123.75 1iib h ALA 103 Ca 0.30 -0.18 0.00 0.00 0.00 0.00 0.00 54.91 55.04 1iib h ALA 103 Cb 0.02 -0.03 0.00 0.00 0.00 0.00 0.00 17.79 17.78 1iib h ALA 103 CO -0.05 0.24 0.05 0.00 0.00 0.00 0.00 179.25 179.50 1iib n ALA 104 N -2.48 0.99 -0.20 0.00 0.00 -0.74 -5.07 120.51 113.01 1iib n ALA 104 Ca -0.02 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.42 1iib n ALA 104 Cb 0.26 -0.83 0.00 0.00 0.00 0.00 0.00 19.45 18.88 1iib n ALA 104 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50