#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2q6a h LEU 2 N 0.00 0.63 -0.82 3.17 6.46 -2.05 -2.02 115.31 120.68 2q6a h LEU 2 Ca 0.00 -0.24 0.07 0.00 -0.12 0.00 0.00 57.88 57.59 2q6a h LEU 2 Cb 0.00 -0.17 -0.06 0.00 -0.73 0.00 0.00 40.66 39.69 2q6a h LEU 2 CO 0.00 0.89 0.49 0.28 -0.62 0.00 0.00 178.44 179.48 2q6a h SER 3 N 0.53 0.73 0.57 1.25 0.02 -2.05 -0.28 113.55 114.31 2q6a h SER 3 Ca 0.07 0.03 -0.02 0.00 -0.84 0.00 0.00 61.79 61.03 2q6a h SER 3 Cb 0.77 -0.12 -0.01 0.00 0.14 0.00 0.00 62.40 63.18 2q6a h SER 3 CO 0.06 0.45 -0.43 0.15 -1.14 0.00 0.00 176.83 175.92 2q6a h PHE 4 N 0.86 -1.17 -0.75 3.45 3.57 -1.83 -2.13 116.94 118.95 2q6a h PHE 4 Ca 0.37 -0.00 0.05 0.00 3.53 0.00 0.00 57.97 61.92 2q6a h PHE 4 Cb 0.25 0.44 -0.05 0.00 2.79 0.00 0.00 35.95 39.37 2q6a h PHE 4 CO -0.05 -0.62 0.46 -0.07 -2.23 0.00 0.00 178.31 175.80 2q6a h LEU 5 N -0.97 0.72 -0.60 0.59 4.07 -1.06 -1.76 115.31 116.30 2q6a h LEU 5 Ca -0.07 0.01 0.06 0.00 0.08 0.00 0.00 57.88 57.97 2q6a h LEU 5 Cb 0.82 -0.14 -0.06 0.00 1.08 0.00 0.00 40.66 42.36 2q6a h LEU 5 CO 0.01 0.48 0.30 -0.07 -1.08 0.00 0.00 178.44 178.08 2q6a h LEU 6 N 0.86 0.41 0.02 1.67 3.38 -0.91 -0.19 115.31 120.55 2q6a h LEU 6 Ca 0.32 0.04 -0.00 0.00 0.09 0.00 0.00 57.88 58.33 2q6a h LEU 6 Cb 0.11 -0.03 0.00 0.00 0.09 0.00 0.00 40.66 40.83 2q6a h LEU 6 CO -0.15 0.27 -0.01 0.74 0.09 0.00 0.00 178.44 179.38 2q6a h THR 7 N 0.56 1.09 -0.47 0.22 2.02 -0.92 -1.01 112.91 114.39 2q6a h THR 7 Ca 0.28 -0.34 0.09 0.00 0.77 0.00 0.00 66.41 67.21 2q6a h THR 7 Cb 0.22 1.32 -0.08 0.00 -1.74 0.00 0.00 68.15 67.88 2q6a h THR 7 CO -0.21 0.09 -0.03 0.25 0.37 0.00 0.00 175.52 175.99 2q6a h LEU 8 N -0.17 -0.27 -1.00 2.58 5.85 -0.90 -0.66 115.31 120.73 2q6a h LEU 8 Ca -0.00 0.12 -0.08 0.00 0.84 0.00 0.00 57.88 58.76 2q6a h LEU 8 Cb 0.16 0.23 -0.02 0.00 0.37 0.00 0.00 40.66 41.40 2q6a h LEU 8 CO 0.00 -0.09 -0.10 0.11 -0.34 0.00 0.00 178.44 178.03 2q6a h LYS 9 N 0.08 0.61 -0.13 1.25 1.57 -0.92 0.42 116.57 119.43 2q6a h LYS 9 Ca 0.23 -0.18 -0.00 0.00 -1.87 0.00 0.00 60.65 58.84 2q6a h LYS 9 Cb 0.35 -0.06 -0.01 0.00 0.08 0.00 0.00 32.23 32.59 2q6a h LYS 9 CO -0.42 0.70 0.08 -0.09 -0.57 0.00 0.00 179.45 179.15 2q6a h ARG 10 N 0.56 0.18 -0.40 3.15 2.43 -0.07 -0.87 114.38 119.36 2q6a h ARG 10 Ca 0.10 -0.02 -0.00 0.00 -0.81 0.00 0.00 59.98 59.25 2q6a h ARG 10 Cb 0.50 -0.04 -0.02 0.00 -0.42 0.00 0.00 29.97 29.99 2q6a h ARG 10 CO 0.03 0.15 0.23 0.52 -1.51 0.00 0.00 179.97 179.40 2q6a h MET 11 N 0.15 0.54 0.00 0.20 2.86 -0.80 -0.96 114.93 116.92 2q6a h MET 11 Ca 0.05 -0.05 -0.00 0.00 -2.06 0.00 0.00 59.70 57.63 2q6a h MET 11 Cb 0.02 -0.11 -0.00 0.00 0.06 0.00 0.00 31.60 31.57 2q6a h MET 11 CO -0.01 0.41 -0.00 -0.07 1.06 0.00 0.00 176.91 178.30 2q6a h LEU 12 N 0.52 0.00 0.25 1.22 3.38 -0.62 0.34 115.31 120.40 2q6a h LEU 12 Ca 0.14 0.00 -0.34 0.00 0.09 0.00 0.00 57.88 57.77 2q6a h LEU 12 Cb 0.02 0.00 0.04 0.00 0.09 0.00 0.00 40.66 40.81 2q6a h LEU 12 CO -0.03 0.00 -1.47 0.03 0.09 0.00 0.00 178.44 177.06 2q6a h ARG 13 N 0.00 0.54 0.00 1.13 3.08 -0.15 -2.28 114.38 116.70 2q6a h ARG 13 Ca -0.00 -0.92 -0.01 0.00 0.07 0.00 0.00 59.98 59.12 2q6a h ARG 13 Cb 0.01 0.34 -0.00 0.00 0.08 0.00 0.00 29.97 30.40 2q6a h ARG 13 CO 0.00 1.44 -0.06 0.00 -1.07 0.00 0.00 179.97 180.28 2q6a h ALA 14 N 0.17 1.08 0.10 0.04 0.00 -0.18 0.43 119.26 120.89 2q6a h ALA 14 Ca -0.25 -0.05 -0.00 0.00 0.00 0.00 0.00 54.91 54.60 2q6a h ALA 14 Cb 2.17 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 19.95 2q6a h ALA 14 CO 0.28 0.07 -0.05 0.00 0.00 0.00 0.00 179.25 179.55 2q6a h LEU 16 N -0.85 0.00 -1.64 0.00 3.38 -1.31 0.33 115.31 115.21 2q6a h LEU 16 Ca -0.01 0.00 -0.04 0.00 0.09 0.00 0.00 57.88 57.92 2q6a h LEU 16 Cb 0.10 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 40.84 2q6a h LEU 16 CO 0.02 0.00 -0.19 -0.09 0.09 0.00 0.00 178.44 178.27 2q6a h ARG 17 N 0.00 0.00 0.07 1.13 2.43 -1.00 -2.32 114.38 114.69 2q6a h ARG 17 Ca 0.13 0.00 -0.25 0.00 -0.81 0.00 0.00 59.98 59.04 2q6a h ARG 17 Cb 0.60 0.00 -0.01 0.00 -0.42 0.00 0.00 29.97 30.13 2q6a h ARG 17 CO -0.00 0.19 -1.20 0.00 -1.51 0.00 0.00 179.97 177.45 2q6a h ALA 18 N 1.81 0.24 0.00 2.80 0.00 -0.35 -3.20 119.26 120.56 2q6a h ALA 18 Ca -0.00 -0.94 0.00 0.00 0.00 0.00 0.00 54.91 53.96 2q6a h ALA 18 Cb 0.46 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.25 2q6a h ALA 18 CO 0.02 1.12 0.00 0.91 0.00 0.00 0.00 179.25 181.31 2q6a n TRP 19 N -3.43 0.00 -0.02 0.00 8.01 -0.88 -0.75 117.44 120.36 2q6a n TRP 19 Ca -0.06 0.00 -0.02 0.00 -1.31 0.00 0.00 57.50 56.10 2q6a n TRP 19 Cb 1.00 -0.02 -0.03 0.00 -2.01 0.00 0.00 31.31 30.25 2q6a n TRP 19 CO 0.00 0.00 0.00 1.17 -1.01 0.00 0.00 177.69 177.85 2q6a n LYS 20 N -0.21 2.85 -1.68 -0.99 0.00 -1.21 -4.90 118.16 112.03 2q6a n LYS 20 Ca 0.00 0.00 -0.46 0.00 0.00 0.00 0.00 58.31 57.85 2q6a n LYS 20 Cb 0.04 -1.11 -0.04 0.00 0.00 0.00 0.00 35.03 33.92 2q6a n LYS 20 CO 0.00 0.00 0.00 -3.47 0.00 0.00 0.00 177.40 173.93 2q6a n ASP 21 N -2.23 3.34 -0.07 3.14 4.64 0.07 -4.88 116.55 120.54 2q6a n ASP 21 Ca -0.07 1.05 -0.07 0.00 -1.38 0.00 0.00 54.79 54.32 2q6a n ASP 21 Cb 0.63 -1.44 -0.01 0.00 -1.04 0.00 0.00 41.12 39.27 2q6a n ASP 21 CO 0.00 0.00 0.00 0.11 -0.82 0.00 0.00 177.20 176.49 2q6a h LYS 22 N 6.96 0.07 -0.69 -0.67 1.57 -1.95 -1.13 116.57 120.73 2q6a h LYS 22 Ca -0.46 -0.00 -0.00 0.00 -1.87 0.00 0.00 60.65 58.32 2q6a h LYS 22 Cb 1.25 -0.02 -0.03 0.00 0.08 0.00 0.00 32.23 33.51 2q6a h LYS 22 CO 0.91 0.05 0.42 0.93 -0.57 0.00 0.00 179.45 181.19 2q6a h GLU 23 N 0.07 0.92 -0.46 3.15 5.08 -1.95 0.10 114.58 121.50 2q6a h GLU 23 Ca 0.14 -0.07 -0.07 0.00 -1.00 0.00 0.00 59.36 58.36 2q6a h GLU 23 Cb 0.18 -0.20 -0.02 0.00 0.50 0.00 0.00 28.75 29.22 2q6a h GLU 23 CO -0.24 0.63 0.02 0.35 -1.00 0.00 0.00 179.01 178.78 2q6a h PHE 24 N 0.94 0.86 -0.47 4.33 3.04 -1.72 -1.92 116.94 122.01 2q6a h PHE 24 Ca 0.25 -0.14 0.03 0.00 3.98 0.00 0.00 57.97 62.09 2q6a h PHE 24 Cb -0.06 -0.23 -0.03 0.00 2.56 0.00 0.00 35.95 38.19 2q6a h PHE 24 CO 0.00 0.82 0.26 1.96 -2.02 0.00 0.00 178.31 179.34 2q6a h GLN 25 N 0.65 0.51 0.32 1.11 4.20 0.03 0.16 115.11 122.09 2q6a h GLN 25 Ca 0.13 -0.03 0.00 0.00 0.06 0.00 0.00 58.65 58.81 2q6a h GLN 25 Cb 0.46 -0.11 -0.02 0.00 0.30 0.00 0.00 27.48 28.11 2q6a h GLN 25 CO 0.02 0.33 -0.34 0.28 -0.67 0.00 0.00 178.83 178.46 2q6a h VAL 26 N 0.52 0.30 -0.77 -0.54 2.07 -0.65 0.86 116.25 118.03 2q6a h VAL 26 Ca 0.19 0.00 0.11 0.00 0.82 0.00 0.00 66.70 67.83 2q6a h VAL 26 Cb 0.05 0.30 -0.08 0.00 -1.52 0.00 0.00 31.29 30.04 2q6a h VAL 26 CO -0.11 0.00 0.39 -0.07 0.02 0.00 0.00 177.57 177.80 2q6a h LEU 27 N -0.69 0.49 0.21 2.57 3.38 -1.03 0.15 115.31 120.39 2q6a h LEU 27 Ca -0.02 0.07 -0.01 0.00 0.09 0.00 0.00 57.88 58.02 2q6a h LEU 27 Cb 0.63 -0.01 0.00 0.00 0.09 0.00 0.00 40.66 41.38 2q6a h LEU 27 CO -0.07 0.25 -0.10 0.15 0.09 0.00 0.00 178.44 178.76 2q6a h PHE 28 N 0.62 -0.27 -0.48 1.13 3.57 -0.21 -2.07 116.94 119.23 2q6a h PHE 28 Ca 0.40 -0.01 0.05 0.00 3.53 0.00 0.00 57.97 61.94 2q6a h PHE 28 Cb 0.47 0.09 -0.05 0.00 2.79 0.00 0.00 35.95 39.25 2q6a h PHE 28 CO -0.10 -0.14 0.22 0.28 -2.23 0.00 0.00 178.31 176.33 2q6a h VAL 29 N -0.32 0.92 -0.90 1.41 2.07 0.07 -1.13 116.25 118.37 2q6a h VAL 29 Ca -0.03 -0.15 0.11 0.00 0.82 0.00 0.00 66.70 67.45 2q6a h VAL 29 Cb 0.24 0.45 -0.08 0.00 -1.52 0.00 0.00 31.29 30.38 2q6a h VAL 29 CO 0.05 0.08 0.54 -0.07 0.02 0.00 0.00 177.57 178.18 2q6a h LEU 30 N 0.43 0.77 -0.48 2.57 3.38 -0.57 0.51 115.31 121.92 2q6a h LEU 30 Ca 0.22 0.05 -0.17 0.00 0.09 0.00 0.00 57.88 58.07 2q6a h LEU 30 Cb 0.17 -0.10 -0.02 0.00 0.09 0.00 0.00 40.66 40.80 2q6a h LEU 30 CO -0.18 0.42 -0.75 0.71 0.09 0.00 0.00 178.44 178.73 2q6a h THR 31 N 0.87 1.49 -0.52 0.22 1.35 -0.60 0.26 112.91 115.97 2q6a h THR 31 Ca 0.44 -2.43 -0.11 0.00 -0.55 0.00 0.00 66.41 63.77 2q6a h THR 31 Cb 0.44 2.31 -0.02 0.00 -1.73 0.00 0.00 68.15 69.15 2q6a h THR 31 CO -0.26 0.70 -0.10 0.40 -0.25 0.00 0.00 175.52 176.01 2q6a h ILE 32 N 0.07 1.27 -0.36 6.82 1.08 -0.21 0.99 117.51 127.17 2q6a h ILE 32 Ca -0.02 -1.24 -0.02 0.00 -0.39 0.00 0.00 64.86 63.18 2q6a h ILE 32 Cb 1.32 1.00 -0.02 0.00 -3.07 0.00 0.00 36.82 36.05 2q6a h ILE 32 CO 0.11 0.44 0.13 -0.07 -0.69 0.00 0.00 178.15 178.07 2q6a h LEU 33 N 0.86 0.50 -1.09 1.44 3.38 0.31 -0.72 115.31 120.00 2q6a h LEU 33 Ca 0.14 -0.18 -0.00 0.00 0.09 0.00 0.00 57.88 57.92 2q6a h LEU 33 Cb 0.66 -0.13 -0.04 0.00 0.09 0.00 0.00 40.66 41.24 2q6a h LEU 33 CO 0.05 0.55 0.51 0.74 0.09 0.00 0.00 178.44 180.37 2q6a h THR 34 N 0.43 1.23 -0.50 0.22 2.02 -0.22 0.21 112.91 116.30 2q6a h THR 34 Ca 0.12 -0.50 -0.09 0.00 0.77 0.00 0.00 66.41 66.71 2q6a h THR 34 Cb 0.21 0.05 -0.02 0.00 -1.74 0.00 0.00 68.15 66.65 2q6a h THR 34 CO -0.01 0.24 -0.04 -0.07 0.37 0.00 0.00 175.52 176.02 2q6a h LEU 35 N 1.15 0.90 -0.15 2.58 4.07 -0.48 -0.56 115.31 122.82 2q6a h LEU 35 Ca 0.30 -0.32 -0.01 0.00 0.08 0.00 0.00 57.88 57.92 2q6a h LEU 35 Cb -0.05 -0.24 -0.01 0.00 1.08 0.00 0.00 40.66 41.44 2q6a h LEU 35 CO -0.06 1.01 0.05 0.40 -1.08 0.00 0.00 178.44 178.76 2q6a h ILE 36 N 0.77 1.18 -0.14 1.22 2.04 -0.52 0.33 117.51 122.39 2q6a h ILE 36 Ca 0.14 -0.54 0.05 0.00 1.00 0.00 0.00 64.86 65.50 2q6a h ILE 36 Cb 0.57 1.25 -0.06 0.00 -0.74 0.00 0.00 36.82 37.85 2q6a h ILE 36 CO 0.03 0.17 -0.23 0.28 0.00 0.00 0.00 178.15 178.40 2q6a h SER 37 N 0.07 -0.72 -0.76 1.72 0.02 -0.83 -0.54 113.55 112.51 2q6a h SER 37 Ca 0.05 0.12 0.07 0.00 -0.84 0.00 0.00 61.79 61.19 2q6a h SER 37 Cb 0.21 0.32 -0.06 0.00 0.14 0.00 0.00 62.40 63.01 2q6a h SER 37 CO -0.00 -0.28 0.43 1.23 -1.14 0.00 0.00 176.83 177.07 2q6a h GLY 38 N -0.29 1.14 0.85 -3.77 0.00 -0.92 0.22 103.07 100.29 2q6a h GLY 38 Ca 0.10 -0.30 0.04 0.00 0.00 0.00 0.00 47.33 47.18 2q6a h GLY 38 CO -0.31 0.16 0.60 -0.84 0.00 0.00 0.00 176.54 176.16 2q6a h THR 39 N 0.77 1.14 0.15 4.70 2.02 -0.00 -1.70 112.91 119.99 2q6a h THR 39 Ca 0.35 -0.39 -0.01 0.00 0.77 0.00 0.00 66.41 67.13 2q6a h THR 39 Cb 0.25 -0.11 0.00 0.00 -1.74 0.00 0.00 68.15 66.55 2q6a h THR 39 CO -0.21 0.21 -0.07 0.40 0.37 0.00 0.00 175.52 176.22 2q6a h ILE 40 N 1.15 0.99 0.18 3.11 2.04 0.14 -2.58 117.51 122.55 2q6a h ILE 40 Ca 0.38 -1.00 0.01 0.00 1.00 0.00 0.00 64.86 65.25 2q6a h ILE 40 Cb 0.03 1.57 -0.04 0.00 -0.74 0.00 0.00 36.82 37.64 2q6a h ILE 40 CO -0.13 0.22 -0.52 0.15 0.00 0.00 0.00 178.15 177.87 2q6a h PHE 41 N -0.71 -1.49 0.00 1.37 3.57 -0.44 -0.36 116.94 118.88 2q6a h PHE 41 Ca -0.02 0.04 -0.00 0.00 3.53 0.00 0.00 57.97 61.51 2q6a h PHE 41 Cb 0.51 0.63 -0.00 0.00 2.79 0.00 0.00 35.95 39.88 2q6a h PHE 41 CO 0.07 -0.61 -0.02 1.88 -2.23 0.00 0.00 178.31 177.41 2q6a h TYR 42 N -0.79 0.00 -0.29 0.41 -1.99 -1.44 0.15 116.97 113.03 2q6a h TYR 42 Ca -0.01 0.00 -0.17 0.00 2.00 0.00 0.00 58.73 60.55 2q6a h TYR 42 Cb 0.78 0.00 -0.00 0.00 2.00 0.00 0.00 36.73 39.51 2q6a h TYR 42 CO -0.42 0.02 -0.50 1.03 -0.00 0.00 0.00 178.16 178.30 2q6a h SER 43 N 0.00 0.93 0.00 3.88 0.87 -0.90 -1.49 113.55 116.84 2q6a h SER 43 Ca -0.00 -0.53 -0.00 0.00 -1.23 0.00 0.00 61.79 60.03 2q6a h SER 43 Cb 0.04 -0.27 0.00 0.00 -0.44 0.00 0.00 62.40 61.74 2q6a h SER 43 CO 0.00 1.28 -0.00 0.74 -0.53 0.00 0.00 176.83 178.32 2q6a h THR 44 N 0.61 0.00 -0.59 2.23 2.02 0.18 -2.77 112.91 114.60 2q6a h THR 44 Ca 0.02 -0.07 -0.07 0.00 0.77 0.00 0.00 66.41 67.06 2q6a h THR 44 Cb 1.10 0.00 -0.02 0.00 -1.74 0.00 0.00 68.15 67.49 2q6a h THR 44 CO 0.11 0.00 0.08 0.58 0.37 0.00 0.00 175.52 176.66 2q6a h VAL 45 N -0.07 1.25 -0.00 3.16 2.07 -0.94 -2.93 116.25 118.78 2q6a h VAL 45 Ca -0.00 -0.99 0.00 0.00 0.82 0.00 0.00 66.70 66.53 2q6a h VAL 45 Cb 0.00 0.72 0.00 0.00 -1.52 0.00 0.00 31.29 30.49 2q6a h VAL 45 CO 0.00 0.37 -0.75 -0.62 0.02 0.00 0.00 177.57 176.59 2q6a n GLU 46 N -4.22 0.40 -3.47 1.57 -0.58 -1.09 -4.86 120.64 108.39 2q6a n GLU 46 Ca 0.04 -0.32 -0.21 0.00 -0.42 0.00 0.00 57.16 56.25 2q6a n GLU 46 Cb 0.28 -1.49 0.04 0.00 -0.57 0.00 0.00 31.44 29.70 2q6a n GLU 46 CO 0.00 0.00 0.00 0.41 -0.48 0.00 0.00 177.13 177.06 2q6a n GLY 47 N 1.47 -1.12 3.63 0.62 0.00 -0.59 -4.96 105.19 104.24 2q6a n GLY 47 Ca 0.06 0.51 -0.23 0.00 0.00 0.00 0.00 46.02 46.35 2q6a n GLY 47 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 2q6a s LEU 48 N -5.55 3.16 0.47 0.99 1.43 -1.02 -4.99 118.68 113.17 2q6a s LEU 48 Ca 0.32 -0.65 -0.24 0.00 -1.03 0.00 0.00 54.13 52.53 2q6a s LEU 48 Cb -0.09 -1.69 -0.07 0.00 0.03 0.00 0.00 46.19 44.37 2q6a s LEU 48 CO 0.82 0.01 1.31 -0.13 0.23 0.00 0.00 176.35 178.59 2q6a s ARG 49 N -3.58 3.59 0.30 1.70 0.52 -1.26 -4.39 118.95 115.82 2q6a s ARG 49 Ca 0.31 2.14 0.03 0.00 -0.52 0.00 0.00 55.73 57.69 2q6a s ARG 49 Cb -0.07 -2.49 0.76 0.00 0.52 0.00 0.00 34.95 33.67 2q6a s ARG 49 CO 0.19 -0.80 1.63 -1.35 0.02 0.00 0.00 175.30 175.00 2q6a h PRO 50 N 2.06 0.17 -0.87 3.54 0.11 -1.93 0.19 132.00 135.26 2q6a h PRO 50 Ca -0.50 -0.01 0.05 0.00 0.11 0.00 0.00 66.00 65.65 2q6a h PRO 50 Cb 1.27 -0.04 -0.05 0.00 0.11 0.00 0.00 31.00 32.29 2q6a h PRO 50 CO 0.60 0.11 0.57 0.97 -0.21 0.00 0.00 178.00 180.04 2q6a h ILE 51 N 0.18 1.10 0.00 4.15 -0.00 -1.95 0.12 117.51 121.10 2q6a h ILE 51 Ca 0.58 -0.35 -0.01 0.00 -0.00 0.00 0.00 64.86 65.08 2q6a h ILE 51 Cb 1.20 -0.02 -0.00 0.00 -0.00 0.00 0.00 36.82 38.00 2q6a h ILE 51 CO -0.69 0.19 -0.03 0.44 -0.00 0.00 0.00 178.15 178.06 2q6a h ASP 52 N 1.03 0.00 0.06 2.19 3.32 -1.04 -1.72 116.42 120.26 2q6a h ASP 52 Ca 0.36 0.00 -0.28 0.00 0.02 0.00 0.00 57.03 57.13 2q6a h ASP 52 Cb 0.12 0.00 0.02 0.00 0.22 0.00 0.00 39.33 39.70 2q6a h ASP 52 CO -0.12 0.03 -1.13 0.00 -1.72 0.00 0.00 179.24 176.30 2q6a h ALA 53 N 1.97 0.08 0.21 3.45 0.00 0.40 -2.15 119.26 123.22 2q6a h ALA 53 Ca -0.00 -0.73 -0.01 0.00 0.00 0.00 0.00 54.91 54.17 2q6a h ALA 53 Cb 1.01 0.08 0.00 0.00 0.00 0.00 0.00 17.79 18.88 2q6a h ALA 53 CO 0.00 0.69 -0.10 1.25 0.00 0.00 0.00 179.25 181.10 2q6a h LEU 54 N 0.35 -0.24 -0.50 0.00 5.85 -0.79 -1.80 115.31 118.18 2q6a h LEU 54 Ca -0.15 -0.19 0.10 0.00 0.84 0.00 0.00 57.88 58.47 2q6a h LEU 54 Cb 1.79 0.06 -0.10 0.00 0.37 0.00 0.00 40.66 42.78 2q6a h LEU 54 CO 0.22 0.07 -0.15 0.22 -0.34 0.00 0.00 178.44 178.46 2q6a h TYR 55 N -0.56 -0.35 -0.77 1.25 3.20 -1.37 0.13 116.97 118.50 2q6a h TYR 55 Ca -0.03 0.05 -0.04 0.00 3.14 0.00 0.00 58.73 61.85 2q6a h TYR 55 Cb 0.42 0.23 -0.03 0.00 1.54 0.00 0.00 36.73 38.88 2q6a h TYR 55 CO 0.02 -0.24 0.31 0.35 -1.64 0.00 0.00 178.16 176.95 2q6a h PHE 56 N -0.03 1.16 -0.79 -3.82 3.57 -1.36 -1.25 116.94 114.42 2q6a h PHE 56 Ca 0.24 -0.08 -0.03 0.00 3.53 0.00 0.00 57.97 61.63 2q6a h PHE 56 Cb 0.40 -0.35 -0.04 0.00 2.79 0.00 0.00 35.95 38.75 2q6a h PHE 56 CO -0.45 0.88 0.39 0.77 -2.23 0.00 0.00 178.31 177.66 2q6a h SER 57 N 1.12 1.03 0.50 0.41 0.02 -0.25 -0.78 113.55 115.60 2q6a h SER 57 Ca 0.26 -0.12 -0.02 0.00 -0.84 0.00 0.00 61.79 61.07 2q6a h SER 57 Cb 0.20 -0.26 0.00 0.00 0.14 0.00 0.00 62.40 62.48 2q6a h SER 57 CO -0.02 0.86 -0.24 0.58 -1.14 0.00 0.00 176.83 176.87 2q6a h VAL 58 N 1.13 0.20 0.00 2.27 2.07 -0.33 0.16 116.25 121.74 2q6a h VAL 58 Ca 0.27 -0.51 -0.00 0.00 0.82 0.00 0.00 66.70 67.29 2q6a h VAL 58 Cb 0.11 0.30 -0.00 0.00 -1.52 0.00 0.00 31.29 30.17 2q6a h VAL 58 CO -0.04 0.04 -0.00 -0.37 0.02 0.00 0.00 177.57 177.22 2q6a h VAL 59 N -1.10 0.37 0.01 2.57 -1.51 -1.23 -1.76 116.25 113.60 2q6a h VAL 59 Ca -0.07 -0.00 -0.11 0.00 -1.23 0.00 0.00 66.70 65.28 2q6a h VAL 59 Cb 0.58 1.00 -0.01 0.00 -2.13 0.00 0.00 31.29 30.73 2q6a h VAL 59 CO 0.11 0.00 -0.62 0.74 -1.23 0.00 0.00 177.57 176.58 2q6a h THR 60 N 0.00 1.38 -0.17 7.19 2.02 -1.09 0.24 112.91 122.48 2q6a h THR 60 Ca -0.00 -2.28 0.05 0.00 0.77 0.00 0.00 66.41 64.95 2q6a h THR 60 Cb 0.00 2.86 -0.01 0.00 -1.74 0.00 0.00 68.15 69.26 2q6a h THR 60 CO 0.00 0.49 0.16 0.25 0.37 0.00 0.00 175.52 176.79 2q6a h LEU 61 N -0.96 0.00 -2.57 2.58 6.46 -0.38 -1.98 115.31 118.46 2q6a h LEU 61 Ca -0.17 0.00 0.00 0.00 -0.12 0.00 0.00 57.88 57.59 2q6a h LEU 61 Cb 1.17 0.00 0.00 0.00 -0.73 0.00 0.00 40.66 41.10 2q6a h LEU 61 CO -0.09 0.00 0.00 0.35 -0.62 0.00 0.00 178.44 178.08 2q6a n THR 62 N -3.96 0.78 -1.14 1.05 -2.24 -0.69 -4.68 114.28 103.40 2q6a n THR 62 Ca 0.01 -0.89 -0.05 0.00 -2.27 0.00 0.00 64.05 60.86 2q6a n THR 62 Cb 0.29 0.72 -0.02 0.00 -2.10 0.00 0.00 70.33 69.21 2q6a n THR 62 CO 0.00 0.00 0.00 0.35 -0.57 0.00 0.00 175.07 174.85 2q6a n THR 63 N 1.55 0.00 -0.01 4.28 -2.24 -0.75 -4.85 114.28 112.27 2q6a n THR 63 Ca 0.22 0.00 -0.13 0.00 -2.27 0.00 0.00 64.05 61.87 2q6a n THR 63 Cb 0.61 -1.10 -0.10 0.00 -2.10 0.00 0.00 70.33 67.65 2q6a n THR 63 CO 0.00 0.00 0.00 0.58 -0.57 0.00 0.00 175.07 175.08 2q6a h VAL 64 N 0.00 1.35 0.00 2.28 2.07 -1.41 -3.50 116.25 117.04 2q6a h VAL 64 Ca -0.10 -1.14 0.00 0.00 0.82 0.00 0.00 66.70 66.28 2q6a h VAL 64 Cb 0.94 2.11 0.00 0.00 -1.52 0.00 0.00 31.29 32.82 2q6a h VAL 64 CO 0.14 0.29 0.00 0.61 0.02 0.00 0.00 177.57 178.63 2q6a n GLY 65 N 0.24 1.30 3.57 2.17 0.00 0.69 -5.01 105.19 108.15 2q6a n GLY 65 Ca -0.08 -1.68 -0.34 0.00 0.00 0.00 0.00 46.02 43.92 2q6a n GLY 65 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 2q6a s GLU 66 N -3.91 3.82 0.13 1.61 -6.30 -1.26 -4.88 118.70 107.91 2q6a s GLU 66 Ca 0.00 -0.43 0.26 0.00 -2.50 0.00 0.00 54.97 52.30 2q6a s GLU 66 Cb 0.00 -3.06 0.95 0.00 0.00 0.00 0.00 34.13 32.02 2q6a s GLU 66 CO 0.00 0.27 1.80 0.41 0.02 0.00 0.00 175.26 177.75 2q6a n GLY 67 N 3.50 -1.54 0.52 -1.50 0.00 -1.26 -4.45 105.19 100.46 2q6a n GLY 67 Ca -0.17 -0.04 0.00 0.00 0.00 0.00 0.00 46.02 45.81 2q6a n GLY 67 CO 0.00 0.00 0.00 0.70 0.00 0.00 0.00 173.32 174.02 2q6a n ASN 68 N -1.97 1.89 -4.80 1.61 3.02 -1.26 -5.06 115.26 108.70 2q6a n ASN 68 Ca 0.05 0.00 -0.38 0.00 -0.03 0.00 0.00 54.58 54.22 2q6a n ASN 68 Cb 0.36 0.00 -0.06 0.00 -0.61 0.00 0.00 39.78 39.47 2q6a n ASN 68 CO 0.00 0.00 0.00 0.12 -2.62 0.00 0.00 177.26 174.76 2q6a s PHE 69 N -1.93 3.81 0.00 3.10 5.36 -1.26 -5.07 117.98 122.00 2q6a s PHE 69 Ca 0.00 1.41 -0.00 0.00 -0.96 0.00 0.00 56.93 57.38 2q6a s PHE 69 Cb 0.00 -2.60 -0.00 0.00 -0.34 0.00 0.00 43.02 40.08 2q6a s PHE 69 CO 0.00 0.52 -0.00 -1.12 -1.46 0.00 0.00 175.22 173.16 2q6a s SER 70 N -1.22 0.02 0.17 6.13 0.01 -1.26 -4.74 113.70 112.81 2q6a s SER 70 Ca 0.34 -0.03 -0.33 0.00 1.31 0.00 0.00 55.95 57.23 2q6a s SER 70 Cb -0.20 0.01 -0.15 0.00 0.21 0.00 0.00 66.02 65.88 2q6a s SER 70 CO 0.22 -0.02 1.30 -2.65 0.41 0.00 0.00 173.24 172.50 2q6a n PRO 71 N 2.98 1.47 -0.03 12.44 -0.02 -1.26 -4.91 135.00 145.67 2q6a n PRO 71 Ca -0.13 0.52 -0.21 0.00 -2.02 0.00 0.00 63.50 61.66 2q6a n PRO 71 Cb 0.60 -2.12 -0.13 0.00 -0.02 0.00 0.00 33.50 31.83 2q6a n PRO 71 CO 0.00 0.00 0.00 1.04 1.98 0.00 0.00 175.50 178.52 2q6a n GLN 72 N 2.15 0.72 -2.96 -0.52 1.13 -1.26 -4.80 117.38 111.83 2q6a n GLN 72 Ca 0.15 0.29 -0.30 0.00 -1.94 0.00 0.00 57.00 55.20 2q6a n GLN 72 Cb 0.26 -1.69 -0.03 0.00 0.11 0.00 0.00 30.24 28.88 2q6a n GLN 72 CO 0.00 0.00 0.00 0.95 -1.44 0.00 0.00 177.06 176.57 2q6a s THR 73 N -2.53 4.81 0.42 5.09 -4.23 -1.26 -4.98 115.64 112.97 2q6a s THR 73 Ca -0.25 0.57 0.19 0.00 -1.18 0.00 0.00 61.69 61.02 2q6a s THR 73 Cb 0.07 -3.72 0.21 0.00 1.34 0.00 0.00 72.50 70.40 2q6a s THR 73 CO 0.72 -0.45 2.00 0.44 -0.54 0.00 0.00 174.62 176.79 2q6a h ASP 74 N 1.44 0.00 -0.17 3.99 3.45 -1.99 -1.70 116.42 121.44 2q6a h ASP 74 Ca -0.47 0.00 -0.13 0.00 0.43 0.00 0.00 57.03 56.86 2q6a h ASP 74 Cb 1.19 0.00 0.00 0.00 -0.56 0.00 0.00 39.33 39.96 2q6a h ASP 74 CO 0.64 0.19 -0.41 0.15 -1.57 0.00 0.00 179.24 178.24 2q6a h PHE 75 N 0.00 0.74 -0.69 4.55 3.57 -1.99 -2.66 116.94 120.45 2q6a h PHE 75 Ca -0.00 -0.28 0.00 0.00 3.53 0.00 0.00 57.97 61.22 2q6a h PHE 75 Cb 0.39 -0.13 -0.03 0.00 2.79 0.00 0.00 35.95 38.96 2q6a h PHE 75 CO 0.00 1.04 0.44 0.78 -2.23 0.00 0.00 178.31 178.34 2q6a h GLY 76 N 0.22 0.99 1.02 2.40 0.00 -1.76 -0.11 103.07 105.83 2q6a h GLY 76 Ca -0.00 -0.39 -0.04 0.00 0.00 0.00 0.00 47.33 46.90 2q6a h GLY 76 CO 0.09 0.38 0.31 0.50 0.00 0.00 0.00 176.54 177.82 2q6a h LYS 77 N 0.94 1.07 -0.15 4.80 1.57 -1.33 0.97 116.57 124.44 2q6a h LYS 77 Ca 0.25 -0.18 -0.04 0.00 -1.87 0.00 0.00 60.65 58.81 2q6a h LYS 77 Cb -0.07 -0.18 -0.00 0.00 0.08 0.00 0.00 32.23 32.05 2q6a h LYS 77 CO -0.05 0.87 -0.06 0.82 -0.57 0.00 0.00 179.45 180.46 2q6a h ILE 78 N 1.03 1.30 0.00 1.86 2.04 -1.12 -2.38 117.51 120.25 2q6a h ILE 78 Ca 0.24 -1.07 0.01 0.00 1.00 0.00 0.00 64.86 65.05 2q6a h ILE 78 Cb 0.18 1.69 -0.02 0.00 -0.74 0.00 0.00 36.82 37.94 2q6a h ILE 78 CO -0.02 0.31 -0.08 0.15 0.00 0.00 0.00 178.15 178.51 2q6a h PHE 79 N -0.01 -0.20 -0.96 1.37 3.04 -0.83 -2.39 116.94 116.97 2q6a h PHE 79 Ca 0.04 0.01 0.15 0.00 3.98 0.00 0.00 57.97 62.15 2q6a h PHE 79 Cb 0.51 0.09 -0.10 0.00 2.56 0.00 0.00 35.95 39.02 2q6a h PHE 79 CO 0.06 -0.12 0.57 1.15 -2.02 0.00 0.00 178.31 177.95 2q6a h THR 80 N -0.14 0.79 -0.28 4.41 2.02 -0.77 0.56 112.91 119.50 2q6a h THR 80 Ca 0.03 -0.28 -0.00 0.00 0.77 0.00 0.00 66.41 66.93 2q6a h THR 80 Cb 0.18 -0.09 -0.01 0.00 -1.74 0.00 0.00 68.15 66.49 2q6a h THR 80 CO -0.08 0.15 0.16 0.40 0.37 0.00 0.00 175.52 176.52 2q6a h ILE 81 N 0.80 1.11 -0.50 3.11 2.04 -1.02 0.18 117.51 123.23 2q6a h ILE 81 Ca 0.52 -0.27 -0.09 0.00 1.00 0.00 0.00 64.86 66.01 2q6a h ILE 81 Cb 0.68 0.78 -0.02 0.00 -0.74 0.00 0.00 36.82 37.53 2q6a h ILE 81 CO -0.33 0.11 -0.04 -0.07 0.00 0.00 0.00 178.15 177.81 2q6a h LEU 82 N 0.35 0.90 -0.48 1.44 -0.00 -0.69 -2.59 115.31 114.24 2q6a h LEU 82 Ca 0.10 -0.33 0.07 0.00 -0.00 0.00 0.00 57.88 57.73 2q6a h LEU 82 Cb 0.03 -0.24 -0.06 0.00 -0.00 0.00 0.00 40.66 40.39 2q6a h LEU 82 CO -0.02 1.01 0.12 0.22 -0.00 0.00 0.00 178.44 179.78 2q6a h TYR 83 N 0.76 0.21 -0.17 1.13 3.20 0.43 -0.04 116.97 122.50 2q6a h TYR 83 Ca 0.14 0.03 0.01 0.00 3.14 0.00 0.00 58.73 62.04 2q6a h TYR 83 Cb 0.58 -0.02 -0.01 0.00 1.54 0.00 0.00 36.73 38.81 2q6a h TYR 83 CO 0.04 0.04 0.09 0.82 -1.64 0.00 0.00 178.16 177.51 2q6a h ILE 84 N 0.27 1.02 0.00 1.81 2.04 -0.47 -1.56 117.51 120.62 2q6a h ILE 84 Ca 0.23 -0.07 -0.02 0.00 1.00 0.00 0.00 64.86 66.01 2q6a h ILE 84 Cb 0.28 0.80 -0.00 0.00 -0.74 0.00 0.00 36.82 37.16 2q6a h ILE 84 CO -0.28 0.04 -0.10 -0.26 0.00 0.00 0.00 178.15 177.55 2q6a h PHE 85 N 0.20 0.00 -0.15 1.37 -1.00 -0.98 -0.64 116.94 115.73 2q6a h PHE 85 Ca 0.06 0.00 -0.03 0.00 2.81 0.00 0.00 57.97 60.81 2q6a h PHE 85 Cb -0.00 0.00 -0.00 0.00 3.61 0.00 0.00 35.95 39.55 2q6a h PHE 85 CO -0.08 0.10 -0.03 0.82 -1.61 0.00 0.00 178.31 177.51 2q6a h ILE 86 N 0.00 1.28 -0.96 -0.55 2.04 -0.21 -1.66 117.51 117.46 2q6a h ILE 86 Ca -0.00 -0.96 0.09 0.00 1.00 0.00 0.00 64.86 64.99 2q6a h ILE 86 Cb 0.22 1.62 -0.07 0.00 -0.74 0.00 0.00 36.82 37.84 2q6a h ILE 86 CO 0.01 0.28 0.60 1.23 0.00 0.00 0.00 178.15 180.27 2q6a h GLY 87 N -0.01 1.51 0.99 5.37 0.00 -0.30 0.31 103.07 110.93 2q6a h GLY 87 Ca 0.04 -0.42 -0.06 0.00 0.00 0.00 0.00 47.33 46.89 2q6a h GLY 87 CO 0.01 0.22 0.10 -2.22 0.00 0.00 0.00 176.54 174.66 2q6a h ILE 88 N 1.02 1.25 -0.96 2.60 2.04 -0.97 -1.66 117.51 120.83 2q6a h ILE 88 Ca 0.45 -0.91 -0.00 0.00 1.00 0.00 0.00 64.86 65.40 2q6a h ILE 88 Cb 0.33 0.85 -0.05 0.00 -0.74 0.00 0.00 36.82 37.21 2q6a h ILE 88 CO -0.22 0.33 0.59 1.23 0.00 0.00 0.00 178.15 180.08 2q6a h GLY 89 N 0.72 1.39 0.95 5.37 0.00 -0.25 -1.16 103.07 110.09 2q6a h GLY 89 Ca 0.16 -0.57 -0.00 0.00 0.00 0.00 0.00 47.33 46.92 2q6a h GLY 89 CO 0.01 0.55 0.12 1.41 0.00 0.00 0.00 176.54 178.63 2q6a h LEU 90 N 1.32 0.27 -0.66 3.11 -0.00 -0.62 0.17 115.31 118.90 2q6a h LEU 90 Ca 0.35 -0.08 -0.04 0.00 -0.00 0.00 0.00 57.88 58.11 2q6a h LEU 90 Cb -0.08 -0.07 -0.03 0.00 -0.00 0.00 0.00 40.66 40.48 2q6a h LEU 90 CO -0.07 0.27 0.27 1.62 -0.00 0.00 0.00 178.44 180.53 2q6a h VAL 91 N 0.25 1.24 -0.59 1.22 3.04 -1.01 0.68 116.25 121.08 2q6a h VAL 91 Ca 0.08 -0.75 0.00 0.00 -1.01 0.00 0.00 66.70 65.02 2q6a h VAL 91 Cb 0.06 0.49 -0.03 0.00 -2.01 0.00 0.00 31.29 29.80 2q6a h VAL 91 CO -0.01 0.30 0.37 -0.26 -1.01 0.00 0.00 177.57 176.96 2q6a h PHE 92 N 0.94 0.76 0.44 3.17 0.05 -1.03 0.44 116.94 121.71 2q6a h PHE 92 Ca 0.22 0.01 -0.02 0.00 3.82 0.00 0.00 57.97 62.00 2q6a h PHE 92 Cb 0.20 -0.25 0.00 0.00 2.00 0.00 0.00 35.95 37.90 2q6a h PHE 92 CO 0.01 0.50 -0.21 0.78 -0.18 0.00 0.00 178.31 179.21 2q6a h GLY 93 N 0.83 -0.62 0.97 -1.45 0.00 0.96 0.19 103.07 103.97 2q6a h GLY 93 Ca 0.22 0.23 0.00 0.00 0.00 0.00 0.00 47.33 47.78 2q6a h GLY 93 CO -0.04 -0.22 -0.01 0.74 0.00 0.00 0.00 176.54 177.00 2q6a h PHE 94 N -0.60 -0.02 0.00 5.60 0.04 -0.33 -0.86 116.94 120.77 2q6a h PHE 94 Ca -0.06 0.00 0.03 0.00 2.80 0.00 0.00 57.97 60.74 2q6a h PHE 94 Cb 0.46 0.01 -0.06 0.00 2.20 0.00 0.00 35.95 38.56 2q6a h PHE 94 CO -0.04 -0.02 -0.49 0.82 -0.60 0.00 0.00 178.31 177.98 2q6a h ILE 95 N -0.02 0.06 -0.91 -0.55 1.08 -0.02 -0.60 117.51 116.56 2q6a h ILE 95 Ca 0.00 0.00 0.20 0.00 -0.39 0.00 0.00 64.86 64.67 2q6a h ILE 95 Cb 0.02 0.06 -0.11 0.00 -3.07 0.00 0.00 36.82 33.72 2q6a h ILE 95 CO -0.01 0.00 0.46 -0.74 -0.69 0.00 0.00 178.15 177.17 2q6a h HIS 96 N -0.64 0.78 -0.48 1.37 2.76 -0.46 0.22 115.15 118.70 2q6a h HIS 96 Ca 0.03 0.04 0.01 0.00 -2.20 0.00 0.00 60.37 58.24 2q6a h HIS 96 Cb 0.70 -0.21 -0.02 0.00 1.55 0.00 0.00 27.41 29.43 2q6a h HIS 96 CO -0.48 0.07 0.32 -0.22 -1.30 0.00 0.00 177.93 176.33 2q6a h LYS 97 N 0.54 0.61 -0.16 5.26 1.63 0.33 -2.02 116.57 122.76 2q6a h LYS 97 Ca 0.54 -0.04 -0.22 0.00 -0.85 0.00 0.00 60.65 60.08 2q6a h LYS 97 Cb 0.93 -0.14 0.01 0.00 -0.60 0.00 0.00 32.23 32.43 2q6a h LYS 97 CO -0.45 0.41 -0.76 -0.07 -3.45 0.00 0.00 179.45 175.13 2q6a h LEU 98 N 0.63 0.92 -2.45 5.20 3.38 0.45 -2.20 115.31 121.24 2q6a h LEU 98 Ca 0.18 -0.59 -0.00 0.00 0.09 0.00 0.00 57.88 57.55 2q6a h LEU 98 Cb -0.04 -0.27 -0.00 0.00 0.09 0.00 0.00 40.66 40.44 2q6a h LEU 98 CO -0.04 1.39 -0.01 0.00 0.09 0.00 0.00 178.44 179.87 2q6a h ALA 99 N 0.59 1.48 0.19 1.53 0.00 -0.67 -1.84 119.26 120.55 2q6a h ALA 99 Ca -0.05 -0.01 -0.35 0.00 0.00 0.00 0.00 54.91 54.50 2q6a h ALA 99 Cb 1.38 -0.00 0.01 0.00 0.00 0.00 0.00 17.79 19.18 2q6a h ALA 99 CO 0.16 0.01 -1.75 0.28 0.00 0.00 0.00 179.25 177.95 2q6a h VAL 100 N 0.00 0.94 0.00 0.00 2.07 -1.29 -3.34 116.25 114.63 2q6a h VAL 100 Ca -0.00 -2.52 0.00 0.00 0.82 0.00 0.00 66.70 65.00 2q6a h VAL 100 Cb 0.03 2.77 0.00 0.00 -1.52 0.00 0.00 31.29 32.57 2q6a h VAL 100 CO 0.00 0.86 0.00 0.59 0.02 0.00 0.00 177.57 179.04 2q6a n ASN 101 N -3.60 0.38 -0.05 0.57 4.13 -0.69 -2.44 115.26 113.56 2q6a n ASN 101 Ca -0.25 -0.87 -0.02 0.00 1.68 0.00 0.00 54.58 55.12 2q6a n ASN 101 Cb 1.08 -0.19 -0.12 0.00 -1.54 0.00 0.00 39.78 39.00 2q6a n ASN 101 CO 0.00 0.00 0.00 0.52 0.28 0.00 0.00 177.26 178.06 2q6a n VAL 102 N 0.19 0.67 0.68 2.41 0.31 -1.21 -5.05 118.33 116.33 2q6a n VAL 102 Ca 0.00 -0.54 0.08 0.00 -0.01 0.00 0.00 64.34 63.87 2q6a n VAL 102 Cb 0.10 -0.35 0.07 0.00 -0.91 0.00 0.00 33.84 32.75 2q6a n VAL 102 CO 0.00 0.00 0.00 0.00 -1.32 0.00 0.00 176.83 175.51