#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2fbw n LYS 4 N 0.00 2.01 -0.34 4.33 5.02 -1.26 -4.74 118.16 123.18 2fbw n LYS 4 Ca 0.00 -2.98 0.08 0.00 -2.02 0.00 0.00 58.31 53.39 2fbw n LYS 4 Cb 0.00 -1.74 0.27 0.00 -0.02 0.00 0.00 35.03 33.54 2fbw n LYS 4 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 2fbw h ALA 5 N 1.03 1.58 0.15 7.82 0.00 -2.05 -0.53 119.26 127.26 2fbw h ALA 5 Ca 0.08 0.02 -0.01 0.00 0.00 0.00 0.00 54.91 55.00 2fbw h ALA 5 Cb 1.38 -0.20 0.00 0.00 0.00 0.00 0.00 17.79 18.97 2fbw h ALA 5 CO 0.21 0.19 -0.07 0.00 0.00 0.00 0.00 179.25 179.57 2fbw h ALA 6 N 1.55 -0.21 -0.25 0.00 0.00 -2.00 -1.11 119.26 117.24 2fbw h ALA 6 Ca 0.48 -0.13 -0.09 0.00 0.00 0.00 0.00 54.91 55.16 2fbw h ALA 6 Cb 0.50 0.08 -0.01 0.00 0.00 0.00 0.00 17.79 18.36 2fbw h ALA 6 CO -0.24 -0.51 -0.23 0.66 0.00 0.00 0.00 179.25 178.94 2fbw h SER 7 N -0.43 0.47 -0.23 0.00 4.64 -1.87 -2.05 113.55 114.08 2fbw h SER 7 Ca -0.02 -0.15 0.00 0.00 -0.47 0.00 0.00 61.79 61.15 2fbw h SER 7 Cb 0.34 -0.13 -0.01 0.00 -0.31 0.00 0.00 62.40 62.29 2fbw h SER 7 CO 0.03 0.70 0.14 -0.07 -0.87 0.00 0.00 176.83 176.77 2fbw h LEU 8 N 0.42 0.27 -0.24 5.97 3.38 -0.99 0.59 115.31 124.71 2fbw h LEU 8 Ca 0.07 -0.03 0.01 0.00 0.09 0.00 0.00 57.88 58.01 2fbw h LEU 8 Cb 0.63 -0.07 -0.02 0.00 0.09 0.00 0.00 40.66 41.30 2fbw h LEU 8 CO 0.04 0.23 0.14 -0.74 0.09 0.00 0.00 178.44 178.20 2fbw h HIS 9 N 0.29 0.26 -0.66 1.13 2.76 -0.97 0.64 115.15 118.60 2fbw h HIS 9 Ca 0.08 0.01 0.09 0.00 -2.20 0.00 0.00 60.37 58.35 2fbw h HIS 9 Cb -0.00 -0.08 -0.07 0.00 1.55 0.00 0.00 27.41 28.81 2fbw h HIS 9 CO -0.05 0.15 0.32 2.35 -1.30 0.00 0.00 177.93 179.40 2fbw h TRP 10 N 0.29 0.57 -0.48 5.26 7.01 -1.08 -0.58 115.95 126.93 2fbw h TRP 10 Ca 0.10 0.03 -0.04 0.00 2.11 0.00 0.00 58.89 61.08 2fbw h TRP 10 Cb 0.00 -0.15 -0.02 0.00 -2.10 0.00 0.00 29.16 26.89 2fbw h TRP 10 CO -0.08 0.21 0.15 1.15 -2.79 0.00 0.00 178.44 177.07 2fbw h THR 11 N 0.55 1.23 -0.48 2.65 2.02 -0.13 -2.83 112.91 115.92 2fbw h THR 11 Ca 0.32 -0.77 0.04 0.00 0.77 0.00 0.00 66.41 66.77 2fbw h THR 11 Cb 0.33 0.82 -0.04 0.00 -1.74 0.00 0.00 68.15 67.52 2fbw h THR 11 CO -0.26 0.28 0.25 0.28 0.37 0.00 0.00 175.52 176.44 2fbw h SER 12 N 0.65 0.38 -1.00 4.18 0.02 -0.13 -1.73 113.55 115.93 2fbw h SER 12 Ca 0.16 0.02 0.08 0.00 -0.84 0.00 0.00 61.79 61.21 2fbw h SER 12 Cb 0.28 -0.05 -0.07 0.00 0.14 0.00 0.00 62.40 62.69 2fbw h SER 12 CO -0.00 0.26 0.64 -0.33 -1.14 0.00 0.00 176.83 176.26 2fbw h GLU 13 N 0.50 1.08 -0.18 3.45 5.08 -1.00 0.05 114.58 123.56 2fbw h GLU 13 Ca 0.21 -0.06 -0.10 0.00 -1.00 0.00 0.00 59.36 58.40 2fbw h GLU 13 Cb 0.09 -0.24 -0.00 0.00 0.50 0.00 0.00 28.75 29.10 2fbw h GLU 13 CO -0.13 0.71 -0.28 0.00 -1.00 0.00 0.00 179.01 178.31 2fbw h ARG 14 N 1.11 0.50 0.01 2.33 -0.00 -1.21 -1.82 114.38 115.30 2fbw h ARG 14 Ca 0.45 -0.30 0.03 0.00 -0.50 0.00 0.00 59.98 59.65 2fbw h ARG 14 Cb 0.27 0.03 -0.04 0.00 0.00 0.00 0.00 29.97 30.23 2fbw h ARG 14 CO -0.20 0.90 -0.20 0.00 0.00 0.00 0.00 179.97 180.47 2fbw h ALA 15 N 0.59 -0.27 -0.89 0.04 0.00 -0.71 0.70 119.26 118.73 2fbw h ALA 15 Ca 0.01 -0.00 0.07 0.00 0.00 0.00 0.00 54.91 54.99 2fbw h ALA 15 Cb 0.86 0.35 -0.06 0.00 0.00 0.00 0.00 17.79 18.95 2fbw h ALA 15 CO 0.06 -0.70 0.58 0.28 0.00 0.00 0.00 179.25 179.47 2fbw h VAL 16 N -0.33 1.05 -0.67 0.00 2.07 -1.03 -0.44 116.25 116.90 2fbw h VAL 16 Ca 0.05 -0.34 -0.02 0.00 0.82 0.00 0.00 66.70 67.21 2fbw h VAL 16 Cb 0.40 -0.03 -0.03 0.00 -1.52 0.00 0.00 31.29 30.11 2fbw h VAL 16 CO -0.18 0.18 0.33 0.28 0.02 0.00 0.00 177.57 178.21 2fbw h SER 17 N 0.99 0.86 -0.03 0.57 0.02 -0.32 -1.79 113.55 113.86 2fbw h SER 17 Ca 0.39 -0.12 -0.00 0.00 -0.84 0.00 0.00 61.79 61.21 2fbw h SER 17 Cb 0.22 -0.22 -0.00 0.00 0.14 0.00 0.00 62.40 62.54 2fbw h SER 17 CO -0.15 0.74 0.02 0.00 -1.14 0.00 0.00 176.83 176.30 2fbw h ALA 18 N 1.16 0.04 -0.13 3.77 0.00 0.22 -2.45 119.26 121.86 2fbw h ALA 18 Ca 0.23 -0.02 0.03 0.00 0.00 0.00 0.00 54.91 55.15 2fbw h ALA 18 Cb 0.10 -0.01 -0.06 0.00 0.00 0.00 0.00 17.79 17.81 2fbw h ALA 18 CO -0.03 -0.44 -0.54 1.25 0.00 0.00 0.00 179.25 179.49 2fbw h LEU 19 N 0.00 -1.71 -0.84 0.00 5.85 -0.80 0.21 115.31 118.03 2fbw h LEU 19 Ca 0.01 0.20 0.21 0.00 0.84 0.00 0.00 57.88 59.15 2fbw h LEU 19 Cb 0.04 0.67 -0.14 0.00 0.37 0.00 0.00 40.66 41.60 2fbw h LEU 19 CO -0.00 -0.48 0.14 -0.07 -0.34 0.00 0.00 178.44 177.68 2fbw h LEU 20 N -0.58 -0.16 -0.27 2.25 3.38 -1.24 0.33 115.31 119.03 2fbw h LEU 20 Ca 0.03 0.20 0.05 0.00 0.09 0.00 0.00 57.88 58.26 2fbw h LEU 20 Cb 0.68 0.31 -0.05 0.00 0.09 0.00 0.00 40.66 41.69 2fbw h LEU 20 CO -0.44 -0.17 -0.05 0.25 0.09 0.00 0.00 178.44 178.12 2fbw h LEU 21 N 0.16 -0.22 -1.48 1.67 5.85 -0.51 -1.24 115.31 119.54 2fbw h LEU 21 Ca 0.50 0.08 -0.05 0.00 0.84 0.00 0.00 57.88 59.24 2fbw h LEU 21 Cb 0.97 0.15 -0.01 0.00 0.37 0.00 0.00 40.66 42.14 2fbw h LEU 21 CO -0.67 -0.07 -0.26 1.23 -0.34 0.00 0.00 178.44 178.32 2fbw h GLY 22 N 0.02 0.00 2.00 3.75 0.00 0.70 -2.71 103.07 106.83 2fbw h GLY 22 Ca 0.13 0.00 -0.03 0.00 0.00 0.00 0.00 47.33 47.43 2fbw h GLY 22 CO -0.26 0.00 -0.14 1.41 0.00 0.00 0.00 176.54 177.54 2fbw h LEU 23 N 0.00 0.00 0.82 3.11 3.38 0.29 -2.66 115.31 120.26 2fbw h LEU 23 Ca -0.00 0.00 -0.04 0.00 0.09 0.00 0.00 57.88 57.93 2fbw h LEU 23 Cb 0.47 0.00 0.01 0.00 0.09 0.00 0.00 40.66 41.23 2fbw h LEU 23 CO 0.03 0.14 -0.40 -0.07 0.09 0.00 0.00 178.44 178.24 2fbw h LEU 24 N 0.00 -0.94 -0.92 1.67 3.38 -1.11 0.83 115.31 118.23 2fbw h LEU 24 Ca -0.00 0.03 0.01 0.00 0.09 0.00 0.00 57.88 58.01 2fbw h LEU 24 Cb 0.59 0.24 -0.05 0.00 0.09 0.00 0.00 40.66 41.54 2fbw h LEU 24 CO 0.02 -0.65 0.61 -0.65 0.09 0.00 0.00 178.44 177.86 2fbw h PRO 25 N -1.14 1.20 -0.89 1.13 0.11 -1.70 -2.24 132.00 128.47 2fbw h PRO 25 Ca -0.11 -0.07 0.04 0.00 0.11 0.00 0.00 66.00 65.96 2fbw h PRO 25 Cb 0.85 -0.27 -0.05 0.00 0.11 0.00 0.00 31.00 31.64 2fbw h PRO 25 CO 0.19 0.79 0.57 0.00 -0.21 0.00 0.00 178.00 179.34 2fbw h ALA 26 N 1.34 1.18 -0.17 -0.75 0.00 -1.33 0.51 119.26 120.04 2fbw h ALA 26 Ca 0.34 -0.04 -0.03 0.00 0.00 0.00 0.00 54.91 55.18 2fbw h ALA 26 Cb -0.13 -0.30 -0.01 0.00 0.00 0.00 0.00 17.79 17.34 2fbw h ALA 26 CO -0.08 0.41 -0.04 0.00 0.00 0.00 0.00 179.25 179.54 2fbw h ALA 27 N 1.37 1.62 0.22 0.00 0.00 -0.22 0.64 119.26 122.90 2fbw h ALA 27 Ca 0.36 -0.14 -0.32 0.00 0.00 0.00 0.00 54.91 54.80 2fbw h ALA 27 Cb 0.02 -0.08 0.03 0.00 0.00 0.00 0.00 17.79 17.76 2fbw h ALA 27 CO -0.12 0.28 -1.42 -0.92 0.00 0.00 0.00 179.25 177.06 2fbw h TYR 28 N 0.24 0.91 0.00 0.00 3.20 -1.06 -3.22 116.97 117.04 2fbw h TYR 28 Ca 0.05 -0.66 -0.21 0.00 3.14 0.00 0.00 58.73 61.06 2fbw h TYR 28 Cb 0.24 -0.04 -0.04 0.00 1.54 0.00 0.00 36.73 38.43 2fbw h TYR 28 CO 0.00 1.51 -1.34 -0.07 -1.64 0.00 0.00 178.16 176.63 2fbw h LEU 29 N 0.15 0.00 -5.97 2.82 3.38 -0.57 -3.41 115.31 111.71 2fbw h LEU 29 Ca -0.23 0.00 -0.50 0.00 0.09 0.00 0.00 57.88 57.24 2fbw h LEU 29 Cb 2.12 0.00 -0.40 0.00 0.09 0.00 0.00 40.66 42.47 2fbw h LEU 29 CO 0.26 0.80 -1.15 -1.22 0.09 0.00 0.00 178.44 177.21 2fbw n TYR 30 N -3.07 0.34 -0.74 1.13 4.02 0.22 -5.07 117.16 113.98 2fbw n TYR 30 Ca -0.09 -3.80 -0.33 0.00 -0.01 0.00 0.00 57.90 53.67 2fbw n TYR 30 Cb 0.92 -0.42 0.14 0.00 -0.02 0.00 0.00 39.34 39.97 2fbw n TYR 30 CO 0.00 0.00 0.00 -2.30 -1.01 0.00 0.00 176.86 173.55 2fbw n PRO 31 N 0.41 -0.96 0.00 -0.72 -0.02 -1.21 -4.62 135.00 127.88 2fbw n PRO 31 Ca 0.25 -0.26 0.00 0.00 -2.02 0.00 0.00 63.50 61.47 2fbw n PRO 31 Cb 0.63 -1.72 0.00 0.00 -0.02 0.00 0.00 33.50 32.38 2fbw n PRO 31 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 2fbw n GLY 32 N 1.90 2.34 0.33 -1.23 0.00 -1.26 -4.88 105.19 102.39 2fbw n GLY 32 Ca 0.03 -2.06 -0.01 0.00 0.00 0.00 0.00 46.02 43.98 2fbw n GLY 32 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 2fbw h PRO 33 N 0.00 -0.05 0.06 1.61 0.13 -1.97 0.24 132.00 132.02 2fbw h PRO 33 Ca 0.00 0.00 0.02 0.00 -0.87 0.00 0.00 66.00 65.15 2fbw h PRO 33 Cb 0.00 0.01 -0.05 0.00 0.13 0.00 0.00 31.00 31.09 2fbw h PRO 33 CO 0.00 -0.03 -0.53 0.00 -0.23 0.00 0.00 178.00 177.20 2fbw h ALA 34 N 1.47 -0.98 -0.57 -0.56 0.00 -1.92 0.58 119.26 117.28 2fbw h ALA 34 Ca 0.33 -0.10 -0.03 0.00 0.00 0.00 0.00 54.91 55.11 2fbw h ALA 34 Cb 0.58 0.93 -0.03 0.00 0.00 0.00 0.00 17.79 19.27 2fbw h ALA 34 CO -0.81 -1.12 0.23 0.28 0.00 0.00 0.00 179.25 177.83 2fbw h VAL 35 N -0.71 1.22 -0.91 0.00 2.07 -1.72 -1.72 116.25 114.48 2fbw h VAL 35 Ca 0.00 -0.68 0.10 0.00 0.82 0.00 0.00 66.70 66.94 2fbw h VAL 35 Cb 0.74 0.60 -0.08 0.00 -1.52 0.00 0.00 31.29 31.04 2fbw h VAL 35 CO -0.32 0.27 0.55 0.44 0.02 0.00 0.00 177.57 178.52 2fbw h ASP 36 N 0.78 0.80 0.86 0.57 5.19 0.08 0.20 116.42 124.90 2fbw h ASP 36 Ca 0.19 0.04 -0.23 0.00 -0.62 0.00 0.00 57.03 56.41 2fbw h ASP 36 Cb 0.19 -0.11 -0.02 0.00 0.18 0.00 0.00 39.33 39.57 2fbw h ASP 36 CO -0.02 0.45 -1.09 1.88 -3.12 0.00 0.00 179.24 177.34 2fbw h TYR 37 N 0.90 0.19 -0.23 4.55 0.05 -0.80 -2.66 116.97 118.98 2fbw h TYR 37 Ca 0.44 -0.14 -0.03 0.00 0.05 0.00 0.00 58.73 59.05 2fbw h TYR 37 Cb 0.39 -0.01 -0.01 0.00 1.01 0.00 0.00 36.73 38.12 2fbw h TYR 37 CO -0.03 1.11 0.04 0.77 -1.05 0.00 0.00 178.16 178.99 2fbw h SER 38 N 0.03 0.36 -0.66 3.88 0.02 -0.69 -1.36 113.55 115.12 2fbw h SER 38 Ca -0.06 -0.26 0.03 0.00 -0.84 0.00 0.00 61.79 60.66 2fbw h SER 38 Cb 1.85 -0.10 -0.04 0.00 0.14 0.00 0.00 62.40 64.25 2fbw h SER 38 CO 0.16 0.53 0.41 -0.07 -1.14 0.00 0.00 176.83 176.72 2fbw h LEU 39 N 0.18 0.68 -0.80 5.07 3.38 -1.05 0.22 115.31 122.99 2fbw h LEU 39 Ca 0.07 -0.00 0.07 0.00 0.09 0.00 0.00 57.88 58.11 2fbw h LEU 39 Cb 0.32 -0.15 -0.06 0.00 0.09 0.00 0.00 40.66 40.86 2fbw h LEU 39 CO 0.00 0.48 0.47 0.00 0.09 0.00 0.00 178.44 179.49 2fbw h ALA 40 N 1.28 1.11 -0.01 1.53 0.00 -1.13 0.27 119.26 122.31 2fbw h ALA 40 Ca 0.26 0.01 -0.01 0.00 0.00 0.00 0.00 54.91 55.17 2fbw h ALA 40 Cb 0.00 -0.17 0.00 0.00 0.00 0.00 0.00 17.79 17.62 2fbw h ALA 40 CO -0.10 0.16 -0.03 0.00 0.00 0.00 0.00 179.25 179.28 2fbw h ALA 41 N 1.41 0.02 -0.29 0.00 0.00 -0.46 -2.82 119.26 117.11 2fbw h ALA 41 Ca 0.36 -0.34 -0.02 0.00 0.00 0.00 0.00 54.91 54.91 2fbw h ALA 41 Cb 0.24 -0.00 -0.01 0.00 0.00 0.00 0.00 17.79 18.02 2fbw h ALA 41 CO -0.20 -0.13 0.09 0.00 0.00 0.00 0.00 179.25 179.01 2fbw h ALA 42 N 0.36 0.39 -0.77 0.00 0.00 -0.43 -0.97 119.26 117.83 2fbw h ALA 42 Ca -0.00 -0.15 0.01 0.00 0.00 0.00 0.00 54.91 54.77 2fbw h ALA 42 Cb 0.69 -0.11 -0.04 0.00 0.00 0.00 0.00 17.79 18.32 2fbw h ALA 42 CO 0.01 0.02 0.51 -0.07 0.00 0.00 0.00 179.25 179.71 2fbw h LEU 43 N 0.32 0.89 -0.06 0.00 3.38 -0.58 0.59 115.31 119.84 2fbw h LEU 43 Ca 0.10 -0.02 -0.03 0.00 0.09 0.00 0.00 57.88 58.01 2fbw h LEU 43 Cb 0.24 -0.22 -0.00 0.00 0.09 0.00 0.00 40.66 40.77 2fbw h LEU 43 CO -0.00 0.64 -0.08 0.74 0.09 0.00 0.00 178.44 179.83 2fbw h THR 44 N 1.05 1.40 0.07 0.22 2.02 -1.25 -2.35 112.91 114.06 2fbw h THR 44 Ca 0.28 -1.33 -0.00 0.00 0.77 0.00 0.00 66.41 66.12 2fbw h THR 44 Cb -0.12 2.16 0.00 0.00 -1.74 0.00 0.00 68.15 68.46 2fbw h THR 44 CO -0.06 0.37 -0.03 0.25 0.37 0.00 0.00 175.52 176.41 2fbw h LEU 45 N -0.33 -0.08 -0.59 2.58 5.85 -0.95 0.14 115.31 121.94 2fbw h LEU 45 Ca 0.01 -0.18 0.05 0.00 0.84 0.00 0.00 57.88 58.59 2fbw h LEU 45 Cb 0.63 0.02 -0.05 0.00 0.37 0.00 0.00 40.66 41.63 2fbw h LEU 45 CO 0.02 0.14 0.31 -0.74 -0.34 0.00 0.00 178.44 177.83 2fbw h HIS 46 N -0.29 0.58 -0.52 1.25 2.76 -1.00 -1.63 115.15 116.29 2fbw h HIS 46 Ca -0.01 0.02 -0.06 0.00 -2.20 0.00 0.00 60.37 58.12 2fbw h HIS 46 Cb 0.26 -0.17 -0.02 0.00 1.55 0.00 0.00 27.41 29.02 2fbw h HIS 46 CO -0.01 0.28 0.08 0.78 -1.30 0.00 0.00 177.93 177.76 2fbw h GLY 47 N 0.60 0.93 0.90 5.26 0.00 -1.26 -1.56 103.07 107.94 2fbw h GLY 47 Ca 0.26 -0.62 0.01 0.00 0.00 0.00 0.00 47.33 46.97 2fbw h GLY 47 CO -0.17 0.58 -0.05 0.84 0.00 0.00 0.00 176.54 177.74 2fbw h HIS 48 N 0.75 -0.11 -0.61 5.60 6.17 -0.16 -1.39 115.15 125.38 2fbw h HIS 48 Ca 0.16 0.00 -0.05 0.00 0.71 0.00 0.00 60.37 61.19 2fbw h HIS 48 Cb 0.41 0.05 -0.03 0.00 2.52 0.00 0.00 27.41 30.36 2fbw h HIS 48 CO 0.03 -0.07 0.17 -1.49 0.71 0.00 0.00 177.93 177.27 2fbw h TRP 49 N -0.09 0.97 -0.02 5.26 6.55 -1.29 -0.70 115.95 126.64 2fbw h TRP 49 Ca 0.01 -0.09 -0.00 0.00 0.95 0.00 0.00 58.89 59.76 2fbw h TRP 49 Cb 0.10 -0.28 -0.00 0.00 -0.86 0.00 0.00 29.16 28.12 2fbw h TRP 49 CO -0.11 0.79 0.01 0.78 -1.05 0.00 0.00 178.44 178.86 2fbw h GLY 50 N 1.02 0.04 2.00 1.49 0.00 -0.99 0.27 103.07 106.90 2fbw h GLY 50 Ca 0.20 -0.02 -0.06 0.00 0.00 0.00 0.00 47.33 47.45 2fbw h GLY 50 CO -0.00 0.02 -0.29 1.41 0.00 0.00 0.00 176.54 177.68 2fbw h LEU 51 N -0.13 0.00 -0.74 3.11 3.38 -1.21 -1.50 115.31 118.21 2fbw h LEU 51 Ca 0.01 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.98 2fbw h LEU 51 Cb 0.17 0.00 -0.04 0.00 0.09 0.00 0.00 40.66 40.89 2fbw h LEU 51 CO -0.00 0.29 0.47 1.23 0.09 0.00 0.00 178.44 180.52 2fbw h GLY 52 N 0.89 1.07 1.68 0.83 0.00 -0.25 -0.26 103.07 107.03 2fbw h GLY 52 Ca -0.00 -0.42 -0.10 0.00 0.00 0.00 0.00 47.33 46.80 2fbw h GLY 52 CO 0.04 0.41 -0.33 1.46 0.00 0.00 0.00 176.54 178.12 2fbw h GLN 53 N 1.01 0.36 -0.42 4.80 1.08 -0.01 -1.73 115.11 120.21 2fbw h GLN 53 Ca 0.27 -0.15 -0.10 0.00 -1.45 0.00 0.00 58.65 57.21 2fbw h GLN 53 Cb -0.07 -0.01 -0.02 0.00 -0.05 0.00 0.00 27.48 27.33 2fbw h GLN 53 CO -0.05 0.65 -0.16 0.28 -0.95 0.00 0.00 178.83 178.60 2fbw h VAL 54 N 0.31 1.26 -0.22 -0.54 2.07 -0.48 -2.41 116.25 116.24 2fbw h VAL 54 Ca 0.04 -1.25 -0.05 0.00 0.82 0.00 0.00 66.70 66.27 2fbw h VAL 54 Cb 0.74 1.12 -0.01 0.00 -1.52 0.00 0.00 31.29 31.62 2fbw h VAL 54 CO 0.06 0.42 -0.05 0.40 0.02 0.00 0.00 177.57 178.42 2fbw h ILE 55 N 0.70 1.28 -0.64 4.57 2.04 -0.76 -2.41 117.51 122.29 2fbw h ILE 55 Ca 0.11 -1.02 0.02 0.00 1.00 0.00 0.00 64.86 64.96 2fbw h ILE 55 Cb 0.66 1.50 -0.03 0.00 -0.74 0.00 0.00 36.82 38.20 2fbw h ILE 55 CO 0.05 0.31 0.42 0.74 0.00 0.00 0.00 178.15 179.67 2fbw h THR 56 N 0.16 1.14 -0.10 -0.27 2.02 -1.18 0.50 112.91 115.18 2fbw h THR 56 Ca 0.06 -0.28 -0.05 0.00 0.77 0.00 0.00 66.41 66.90 2fbw h THR 56 Cb 0.49 0.24 -0.00 0.00 -1.74 0.00 0.00 68.15 67.14 2fbw h THR 56 CO 0.02 0.15 -0.14 0.44 0.37 0.00 0.00 175.52 176.36 2fbw h ASP 57 N 0.83 0.30 0.00 4.18 3.32 -1.33 -3.40 116.42 120.32 2fbw h ASP 57 Ca 0.24 -0.53 0.00 0.00 0.02 0.00 0.00 57.03 56.76 2fbw h ASP 57 Cb -0.04 -0.08 0.00 0.00 0.22 0.00 0.00 39.33 39.42 2fbw h ASP 57 CO -0.06 0.76 -1.82 -1.22 -1.72 0.00 0.00 179.24 175.19 2fbw n TYR 58 N -4.59 0.00 -3.58 4.55 4.01 -0.92 -4.93 117.16 111.69 2fbw n TYR 58 Ca -0.07 0.00 -0.36 0.00 -0.16 0.00 0.00 57.90 57.31 2fbw n TYR 58 Cb 0.37 -0.41 -0.08 0.00 -0.31 0.00 0.00 39.34 38.91 2fbw n TYR 58 CO 0.00 0.00 0.00 0.08 -0.46 0.00 0.00 176.86 176.48 2fbw s VAL 59 N -3.32 5.33 0.13 -0.72 1.01 0.15 -5.08 120.40 117.89 2fbw s VAL 59 Ca -0.06 0.43 0.04 0.00 0.00 0.00 0.00 61.98 62.39 2fbw s VAL 59 Cb 0.13 -3.58 -0.04 0.00 0.00 0.00 0.00 36.38 32.88 2fbw s VAL 59 CO 0.82 0.38 -0.10 -1.00 0.00 0.00 0.00 175.10 175.20 2fbw s HIS 60 N 0.62 1.15 0.00 5.22 3.76 -1.26 -4.76 115.29 120.02 2fbw s HIS 60 Ca 0.13 -0.76 0.00 0.00 -0.15 0.00 0.00 55.06 54.29 2fbw s HIS 60 Cb -0.13 -0.61 0.00 0.00 1.11 0.00 0.00 32.58 32.96 2fbw s HIS 60 CO 0.03 0.02 0.00 0.41 -0.85 0.00 0.00 174.74 174.35 2fbw n GLY 61 N 0.03 1.77 0.30 -2.22 0.00 -1.26 -4.61 105.19 99.20 2fbw n GLY 61 Ca -0.12 -1.25 0.10 0.00 0.00 0.00 0.00 46.02 44.75 2fbw n GLY 61 CO 0.00 0.00 0.00 -0.55 0.00 0.00 0.00 173.32 172.77 2fbw h ASP 62 N 0.00 0.29 0.16 1.61 3.32 -1.99 -1.28 116.42 118.52 2fbw h ASP 62 Ca 0.00 0.14 -0.01 0.00 0.02 0.00 0.00 57.03 57.18 2fbw h ASP 62 Cb 0.00 0.13 0.00 0.00 0.22 0.00 0.00 39.33 39.68 2fbw h ASP 62 CO 0.00 0.03 -0.08 0.74 -1.72 0.00 0.00 179.24 178.22 2fbw h THR 63 N 0.41 0.91 -1.00 0.35 2.02 -2.00 -2.39 112.91 111.22 2fbw h THR 63 Ca 0.50 -1.10 0.21 0.00 0.77 0.00 0.00 66.41 66.80 2fbw h THR 63 Cb 0.89 1.50 -0.10 0.00 -1.74 0.00 0.00 68.15 68.71 2fbw h THR 63 CO -0.49 0.23 0.62 -0.65 0.37 0.00 0.00 175.52 175.59 2fbw h PRO 64 N -0.81 0.62 -0.32 6.66 0.11 -1.76 0.47 132.00 136.97 2fbw h PRO 64 Ca -0.02 -0.04 -0.08 0.00 0.11 0.00 0.00 66.00 65.97 2fbw h PRO 64 Cb 0.53 -0.14 -0.01 0.00 0.11 0.00 0.00 31.00 31.49 2fbw h PRO 64 CO 0.04 0.41 -0.10 0.82 -0.21 0.00 0.00 178.00 178.96 2fbw h ILE 65 N 0.64 1.28 -0.51 4.15 2.04 -1.23 -0.37 117.51 123.51 2fbw h ILE 65 Ca 0.58 -1.16 -0.05 0.00 1.00 0.00 0.00 64.86 65.23 2fbw h ILE 65 Cb 1.07 1.37 -0.02 0.00 -0.74 0.00 0.00 36.82 38.50 2fbw h ILE 65 CO -0.36 0.38 0.12 0.11 0.00 0.00 0.00 178.15 178.40 2fbw h LYS 66 N 0.41 0.82 -0.01 2.37 1.57 -0.73 -0.76 116.57 120.23 2fbw h LYS 66 Ca 0.08 -0.20 0.00 0.00 -1.87 0.00 0.00 60.65 58.67 2fbw h LYS 66 Cb 0.60 -0.11 -0.01 0.00 0.08 0.00 0.00 32.23 32.80 2fbw h LYS 66 CO 0.04 0.78 -0.02 0.28 -0.57 0.00 0.00 179.45 179.96 2fbw h VAL 67 N 0.71 0.95 -0.99 0.50 2.07 -0.83 -0.67 116.25 117.99 2fbw h VAL 67 Ca 0.16 0.00 0.03 0.00 0.82 0.00 0.00 66.70 67.71 2fbw h VAL 67 Cb 0.33 0.95 -0.06 0.00 -1.52 0.00 0.00 31.29 31.00 2fbw h VAL 67 CO 0.00 0.00 0.65 0.00 0.02 0.00 0.00 177.57 178.24 2fbw h ALA 68 N 0.99 1.30 0.00 1.67 0.00 -0.87 -1.66 119.26 120.68 2fbw h ALA 68 Ca 0.01 -0.05 -0.11 0.00 0.00 0.00 0.00 54.91 54.76 2fbw h ALA 68 Cb 0.04 -0.36 -0.02 0.00 0.00 0.00 0.00 17.79 17.45 2fbw h ALA 68 CO -0.03 0.56 -0.52 -0.91 0.00 0.00 0.00 179.25 178.36 2fbw h ASN 69 N 1.27 0.00 -0.17 0.00 4.21 -0.83 -2.00 115.58 118.06 2fbw h ASN 69 Ca 0.39 0.00 -0.07 0.00 1.21 0.00 0.00 56.30 57.83 2fbw h ASN 69 Cb -0.03 0.00 -0.00 0.00 -1.12 0.00 0.00 38.32 37.17 2fbw h ASN 69 CO -0.12 0.52 -0.16 0.74 -1.29 0.00 0.00 177.43 177.13 2fbw h THR 70 N 0.00 1.33 -0.18 2.81 2.02 -0.47 -2.50 112.91 115.92 2fbw h THR 70 Ca -0.01 -1.30 0.03 0.00 0.77 0.00 0.00 66.41 65.90 2fbw h THR 70 Cb 1.11 1.81 -0.03 0.00 -1.74 0.00 0.00 68.15 69.30 2fbw h THR 70 CO 0.07 0.39 -0.00 1.23 0.37 0.00 0.00 175.52 177.57 2fbw h GLY 71 N 0.06 0.16 0.31 2.16 0.00 -1.26 -2.08 103.07 102.43 2fbw h GLY 71 Ca 0.03 0.02 0.07 0.00 0.00 0.00 0.00 47.33 47.46 2fbw h GLY 71 CO 0.04 -0.04 -0.05 -2.00 0.00 0.00 0.00 176.54 174.50 2fbw h LEU 72 N 0.05 -0.25 -1.47 3.11 5.85 -1.34 -0.22 115.31 121.04 2fbw h LEU 72 Ca 0.08 0.10 0.12 0.00 0.84 0.00 0.00 57.88 59.02 2fbw h LEU 72 Cb 0.10 0.20 -0.05 0.00 0.37 0.00 0.00 40.66 41.28 2fbw h LEU 72 CO -0.14 -0.08 0.50 0.22 -0.34 0.00 0.00 178.44 178.59 2fbw h TYR 73 N 0.05 0.62 -0.34 1.25 3.20 -1.03 0.01 116.97 120.74 2fbw h TYR 73 Ca 0.19 0.02 -0.13 0.00 3.14 0.00 0.00 58.73 61.95 2fbw h TYR 73 Cb 0.28 -0.20 -0.01 0.00 1.54 0.00 0.00 36.73 38.34 2fbw h TYR 73 CO -0.30 0.27 -0.29 0.28 -1.64 0.00 0.00 178.16 176.48 2fbw h VAL 74 N 0.56 1.29 -0.43 1.81 2.07 -0.41 -2.43 116.25 118.71 2fbw h VAL 74 Ca 0.36 -1.45 -0.07 0.00 0.82 0.00 0.00 66.70 66.36 2fbw h VAL 74 Cb 0.63 1.47 -0.02 0.00 -1.52 0.00 0.00 31.29 31.85 2fbw h VAL 74 CO -0.13 0.47 0.00 0.25 0.02 0.00 0.00 177.57 178.19 2fbw h LEU 75 N 0.57 0.74 -0.76 2.57 5.85 0.10 -2.33 115.31 122.05 2fbw h LEU 75 Ca 0.06 -0.31 -0.02 0.00 0.84 0.00 0.00 57.88 58.46 2fbw h LEU 75 Cb 0.86 -0.20 -0.04 0.00 0.37 0.00 0.00 40.66 41.66 2fbw h LEU 75 CO 0.07 0.86 0.41 0.28 -0.34 0.00 0.00 178.44 179.72 2fbw h SER 76 N 0.59 0.95 0.51 1.25 0.02 -1.04 -0.09 113.55 115.75 2fbw h SER 76 Ca 0.12 -0.10 -0.02 0.00 -0.84 0.00 0.00 61.79 60.94 2fbw h SER 76 Cb 0.48 -0.24 0.00 0.00 0.14 0.00 0.00 62.40 62.79 2fbw h SER 76 CO 0.02 0.78 -0.24 0.00 -1.14 0.00 0.00 176.83 176.25 2fbw h ALA 77 N 1.21 -0.68 -0.82 3.77 0.00 -1.35 0.29 119.26 121.68 2fbw h ALA 77 Ca 0.27 -0.17 0.10 0.00 0.00 0.00 0.00 54.91 55.11 2fbw h ALA 77 Cb 0.05 0.26 -0.08 0.00 0.00 0.00 0.00 17.79 18.03 2fbw h ALA 77 CO -0.04 -0.84 0.46 0.82 0.00 0.00 0.00 179.25 179.64 2fbw h ILE 78 N -0.76 0.88 0.00 0.00 2.04 -1.31 -0.26 117.51 118.09 2fbw h ILE 78 Ca -0.07 -0.26 -0.00 0.00 1.00 0.00 0.00 64.86 65.53 2fbw h ILE 78 Cb 0.56 0.06 0.00 0.00 -0.74 0.00 0.00 36.82 36.70 2fbw h ILE 78 CO 0.11 0.14 -0.00 0.74 0.00 0.00 0.00 178.15 179.14 2fbw h THR 79 N 0.75 1.13 -0.88 -0.27 2.02 -0.77 0.12 112.91 115.00 2fbw h THR 79 Ca 0.40 -0.40 -0.02 0.00 0.77 0.00 0.00 66.41 67.17 2fbw h THR 79 Cb 0.41 1.40 -0.04 0.00 -1.74 0.00 0.00 68.15 68.17 2fbw h THR 79 CO -0.27 0.10 0.49 0.15 0.37 0.00 0.00 175.52 176.36 2fbw h PHE 80 N -0.18 1.20 -0.11 3.16 3.57 -0.54 -2.07 116.94 121.98 2fbw h PHE 80 Ca -0.00 -0.02 -0.00 0.00 3.53 0.00 0.00 57.97 61.47 2fbw h PHE 80 Cb 0.17 -0.39 -0.00 0.00 2.79 0.00 0.00 35.95 38.52 2fbw h PHE 80 CO -0.02 0.82 0.06 1.15 -2.23 0.00 0.00 178.31 178.09 2fbw h THR 81 N 1.23 1.09 -0.73 4.41 2.02 -0.77 -1.98 112.91 118.18 2fbw h THR 81 Ca 0.31 -0.24 0.03 0.00 0.77 0.00 0.00 66.41 67.28 2fbw h THR 81 Cb 0.02 1.06 -0.05 0.00 -1.74 0.00 0.00 68.15 67.44 2fbw h THR 81 CO -0.05 0.08 0.46 1.23 0.37 0.00 0.00 175.52 177.61 2fbw h GLY 82 N 0.08 1.06 1.04 2.16 0.00 -0.73 -0.12 103.07 106.55 2fbw h GLY 82 Ca 0.04 -0.35 -0.07 0.00 0.00 0.00 0.00 47.33 46.95 2fbw h GLY 82 CO -0.01 0.29 0.13 1.41 0.00 0.00 0.00 176.54 178.36 2fbw h LEU 83 N 0.89 0.98 -0.46 3.11 3.38 -1.23 0.37 115.31 122.35 2fbw h LEU 83 Ca 0.29 -0.25 -0.09 0.00 0.09 0.00 0.00 57.88 57.93 2fbw h LEU 83 Cb 0.02 -0.26 -0.02 0.00 0.09 0.00 0.00 40.66 40.50 2fbw h LEU 83 CO -0.11 0.98 -0.06 0.00 0.09 0.00 0.00 178.44 179.33 2fbw h TYR 85 N 0.70 0.13 -0.64 0.00 3.20 -0.75 0.12 116.97 119.74 2fbw h TYR 85 Ca 0.12 0.01 -0.05 0.00 3.14 0.00 0.00 58.73 61.96 2fbw h TYR 85 Cb 0.59 -0.02 -0.03 0.00 1.54 0.00 0.00 36.73 38.81 2fbw h TYR 85 CO 0.04 0.05 0.21 0.35 -1.64 0.00 0.00 178.16 177.18 2fbw h PHE 86 N 0.19 0.99 -0.02 -3.82 3.57 -0.75 0.25 116.94 117.34 2fbw h PHE 86 Ca 0.12 -0.08 -0.10 0.00 3.53 0.00 0.00 57.97 61.44 2fbw h PHE 86 Cb 0.10 -0.29 -0.01 0.00 2.79 0.00 0.00 35.95 38.54 2fbw h PHE 86 CO -0.14 0.78 -0.46 -0.91 -2.23 0.00 0.00 178.31 175.35 2fbw h ASN 87 N 0.94 0.04 0.00 0.41 2.35 -0.36 -1.79 115.58 117.16 2fbw h ASN 87 Ca 0.21 -0.02 -0.02 0.00 -0.55 0.00 0.00 56.30 55.93 2fbw h ASN 87 Cb 0.25 -0.01 -0.00 0.00 0.05 0.00 0.00 38.32 38.60 2fbw h ASN 87 CO -0.01 0.49 -0.22 0.22 -1.65 0.00 0.00 177.43 176.26 2fbw h TYR 88 N 0.03 0.00 -0.01 1.19 3.20 -0.04 -3.41 116.97 117.94 2fbw h TYR 88 Ca -0.00 0.00 0.00 0.00 3.14 0.00 0.00 58.73 61.87 2fbw h TYR 88 Cb 0.82 0.00 0.00 0.00 1.54 0.00 0.00 36.73 39.09 2fbw h TYR 88 CO 0.00 0.27 -0.23 0.66 -1.64 0.00 0.00 178.16 177.22 2fbw n TYR 89 N -4.69 0.00 -3.77 -3.82 4.01 0.81 -4.96 117.16 104.75 2fbw n TYR 89 Ca -0.06 0.00 0.00 0.00 -0.16 0.00 0.00 57.90 57.68 2fbw n TYR 89 Cb 0.19 -0.10 0.00 0.00 -0.31 0.00 0.00 39.34 39.12 2fbw n TYR 89 CO 0.00 0.00 0.00 -3.47 -0.46 0.00 0.00 176.86 172.93 2fbw n ASP 90 N -0.49 1.05 0.31 7.72 -0.08 -0.68 -5.03 116.55 119.35 2fbw n ASP 90 Ca 0.13 -0.77 0.20 0.00 -1.51 0.00 0.00 54.79 52.84 2fbw n ASP 90 Cb 0.36 0.00 1.04 0.00 2.34 0.00 0.00 41.12 44.86 2fbw n ASP 90 CO 0.00 0.00 0.00 -0.37 0.12 0.00 0.00 177.20 176.95 2fbw h VAL 91 N 0.77 0.14 0.00 5.18 -1.51 -1.89 -3.43 116.25 115.51 2fbw h VAL 91 Ca 0.00 -0.15 0.00 0.00 -1.23 0.00 0.00 66.70 65.32 2fbw h VAL 91 Cb 0.00 1.13 0.00 0.00 -2.13 0.00 0.00 31.29 30.29 2fbw h VAL 91 CO 0.00 0.01 0.00 0.61 -1.23 0.00 0.00 177.57 176.96 2fbw n GLY 92 N -0.88 0.72 0.32 5.19 0.00 -1.20 -4.45 105.19 104.90 2fbw n GLY 92 Ca -0.02 -1.66 -0.10 0.00 0.00 0.00 0.00 46.02 44.24 2fbw n GLY 92 CO 0.00 0.00 0.00 -2.22 0.00 0.00 0.00 173.32 171.10 2fbw h ILE 93 N 0.00 0.31 -0.32 -0.61 2.04 -1.88 0.84 117.51 117.90 2fbw h ILE 93 Ca 0.00 0.00 0.06 0.00 1.00 0.00 0.00 64.86 65.92 2fbw h ILE 93 Cb 0.00 0.31 -0.05 0.00 -0.74 0.00 0.00 36.82 36.34 2fbw h ILE 93 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 178.15 178.15 2fbw h LYS 95 N 0.09 0.90 -0.73 0.00 1.63 -1.73 -2.54 116.57 114.19 2fbw h LYS 95 Ca 0.16 -0.33 -0.00 0.00 -0.85 0.00 0.00 60.65 59.63 2fbw h LYS 95 Cb 0.21 -0.06 -0.04 0.00 -0.60 0.00 0.00 32.23 31.74 2fbw h LYS 95 CO -0.26 0.97 0.44 0.00 -3.45 0.00 0.00 179.45 177.15 2fbw h ALA 96 N 1.05 1.39 -0.33 5.00 0.00 -0.38 -0.34 119.26 125.65 2fbw h ALA 96 Ca 0.13 -0.08 -0.11 0.00 0.00 0.00 0.00 54.91 54.84 2fbw h ALA 96 Cb 0.66 -0.30 -0.01 0.00 0.00 0.00 0.00 17.79 18.14 2fbw h ALA 96 CO 0.05 0.52 -0.20 0.28 0.00 0.00 0.00 179.25 179.90 2fbw h VAL 97 N 1.01 1.29 -0.30 0.00 2.07 -1.05 0.50 116.25 119.77 2fbw h VAL 97 Ca 0.26 -1.34 -0.02 0.00 0.82 0.00 0.00 66.70 66.43 2fbw h VAL 97 Cb -0.04 1.43 -0.01 0.00 -1.52 0.00 0.00 31.29 31.15 2fbw h VAL 97 CO -0.05 0.44 0.12 0.00 0.02 0.00 0.00 177.57 178.09 2fbw h ALA 98 N 0.76 0.39 -0.42 1.67 0.00 -1.13 -0.79 119.26 119.74 2fbw h ALA 98 Ca 0.07 -0.13 0.00 0.00 0.00 0.00 0.00 54.91 54.86 2fbw h ALA 98 Cb 0.75 -0.12 -0.02 0.00 0.00 0.00 0.00 17.79 18.41 2fbw h ALA 98 CO 0.06 -0.01 0.28 0.52 0.00 0.00 0.00 179.25 180.09 2fbw h MET 99 N 0.33 0.56 -0.89 0.00 2.86 -0.99 -1.88 114.93 114.92 2fbw h MET 99 Ca 0.10 -0.04 0.03 0.00 -2.06 0.00 0.00 59.70 57.73 2fbw h MET 99 Cb 0.19 -0.13 -0.05 0.00 0.06 0.00 0.00 31.60 31.67 2fbw h MET 99 CO -0.01 0.38 0.59 1.25 1.06 0.00 0.00 176.91 180.18 2fbw h LEU 100 N 0.57 0.97 0.00 1.22 5.85 -0.67 -1.42 115.31 121.82 2fbw h LEU 100 Ca 0.15 -0.01 0.00 0.00 0.84 0.00 0.00 57.88 58.86 2fbw h LEU 100 Cb -0.06 -0.23 0.00 0.00 0.37 0.00 0.00 40.66 40.75 2fbw h LEU 100 CO -0.03 0.67 0.00 1.87 -0.34 0.00 0.00 178.44 180.61 2fbw n TRP 101 N -4.44 0.00 1.22 1.25 -0.00 -0.32 -2.86 117.44 112.29 2fbw n TRP 101 Ca 0.12 0.00 0.13 0.00 -0.00 0.00 0.00 57.50 57.74 2fbw n TRP 101 Cb 0.09 -0.11 0.30 0.00 -0.00 0.00 0.00 31.31 31.59 2fbw n TRP 101 CO 0.00 0.00 0.00 -1.13 -0.00 0.00 0.00 177.69 176.56 2fbw n SER 102 N -1.11 1.48 0.00 5.87 3.41 -0.54 -5.06 113.62 117.67 2fbw n SER 102 Ca 0.19 -1.22 0.10 0.00 -0.26 0.00 0.00 58.87 57.68 2fbw n SER 102 Cb 0.15 0.18 0.62 0.00 -0.26 0.00 0.00 64.21 64.89 2fbw n SER 102 CO 0.00 0.00 0.00 -0.38 -0.16 0.00 0.00 175.04 174.50