#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2qbk s LYS 2 N 0.00 0.27 1.01 2.12 -2.85 -1.26 -5.17 119.74 113.86 2qbk s LYS 2 Ca 0.00 0.11 -0.15 0.00 -1.00 0.00 0.00 55.97 54.93 2qbk s LYS 2 Cb 0.00 0.08 0.04 0.00 -2.06 0.00 0.00 37.83 35.89 2qbk s LYS 2 CO 0.00 -0.46 0.15 0.25 0.10 0.00 0.00 175.35 175.39 2qbk n THR 3 N 4.73 0.00 -0.56 3.79 -2.24 -1.26 -4.96 114.28 113.78 2qbk n THR 3 Ca 0.08 -0.24 -0.10 0.00 -2.27 0.00 0.00 64.05 61.52 2qbk n THR 3 Cb 0.59 -0.56 0.10 0.00 -2.10 0.00 0.00 70.33 68.35 2qbk n THR 3 CO 0.00 0.00 0.00 0.33 -0.57 0.00 0.00 175.07 174.83 2qbk n PHE 4 N -3.78 -2.11 0.00 4.78 -0.00 -1.26 -5.06 117.46 110.03 2qbk n PHE 4 Ca 0.04 0.17 0.00 0.00 -0.00 0.00 0.00 57.45 57.66 2qbk n PHE 4 Cb 0.57 -1.31 0.00 0.00 -0.00 0.00 0.00 39.48 38.74 2qbk n PHE 4 CO 0.00 0.00 0.00 -2.37 -0.00 0.00 0.00 176.76 174.39 2qbk n THR 5 N -3.94 0.00 -1.51 -2.13 5.66 -1.26 -4.96 114.28 106.14 2qbk n THR 5 Ca 0.05 0.00 -0.47 0.00 -3.05 0.00 0.00 64.05 60.58 2qbk n THR 5 Cb 0.20 0.00 -0.03 0.00 -1.55 0.00 0.00 70.33 68.95 2qbk n THR 5 CO 0.00 0.00 0.00 0.00 -3.05 0.00 0.00 175.07 172.02 2qbk n ALA 6 N 0.00 -1.44 -2.72 1.79 0.00 -1.16 -4.95 120.51 112.03 2qbk n ALA 6 Ca 0.00 0.42 -0.37 0.00 0.00 0.00 0.00 53.44 53.50 2qbk n ALA 6 Cb 0.00 -1.85 -0.07 0.00 0.00 0.00 0.00 19.45 17.53 2qbk n ALA 6 CO 0.00 0.00 0.00 0.15 0.00 0.00 0.00 177.50 177.65 2qbk s LYS 7 N -1.16 4.02 0.31 0.00 -0.14 -1.26 -4.93 119.74 116.57 2qbk s LYS 7 Ca 0.63 0.06 0.11 0.00 -1.36 0.00 0.00 55.97 55.41 2qbk s LYS 7 Cb -0.83 -3.34 0.59 0.00 -1.68 0.00 0.00 37.83 32.57 2qbk s LYS 7 CO 0.57 0.44 1.20 -2.30 -0.76 0.00 0.00 175.35 174.51 2qbk n PRO 8 N 2.93 0.08 -0.12 -1.68 -0.02 -1.26 -1.60 135.00 133.32 2qbk n PRO 8 Ca -0.14 0.54 -0.25 0.00 -2.02 0.00 0.00 63.50 61.63 2qbk n PRO 8 Cb 0.53 -2.09 -0.10 0.00 -0.02 0.00 0.00 33.50 31.82 2qbk n PRO 8 CO 0.00 0.00 0.00 0.39 1.98 0.00 0.00 175.50 177.87 2qbk n GLU 9 N -1.97 0.57 -0.98 -0.52 4.71 -1.26 -4.53 120.64 116.66 2qbk n GLU 9 Ca -0.01 0.38 -0.26 0.00 -0.01 0.00 0.00 57.16 57.26 2qbk n GLU 9 Cb 0.37 -1.59 -0.05 0.00 -1.01 0.00 0.00 31.44 29.16 2qbk n GLU 9 CO 0.00 0.00 0.00 0.25 0.09 0.00 0.00 177.13 177.47 2qbk n THR 10 N -4.34 3.19 -4.26 2.62 -2.24 -0.63 -4.86 114.28 103.76 2qbk n THR 10 Ca -0.42 -1.84 -0.31 0.00 -2.27 0.00 0.00 64.05 59.20 2qbk n THR 10 Cb 0.76 -2.27 -0.09 0.00 -2.10 0.00 0.00 70.33 66.63 2qbk n THR 10 CO 0.00 0.00 0.00 -0.69 -0.57 0.00 0.00 175.07 173.81 2qbk s VAL 11 N 2.43 3.86 -0.22 2.28 1.01 -1.25 -4.57 120.40 123.94 2qbk s VAL 11 Ca 0.55 -0.90 -0.17 0.00 0.00 0.00 0.00 61.98 61.46 2qbk s VAL 11 Cb 0.17 -2.77 -0.14 0.00 0.00 0.00 0.00 36.38 33.64 2qbk s VAL 11 CO -0.04 0.24 -0.07 2.29 0.00 0.00 0.00 175.10 177.52 2qbk n LYS 12 N 1.00 0.56 0.00 2.72 2.85 -1.26 -4.99 118.16 119.04 2qbk n LYS 12 Ca -0.13 0.44 0.00 0.00 -1.05 0.00 0.00 58.31 57.57 2qbk n LYS 12 Cb 0.52 -1.63 0.00 0.00 -0.65 0.00 0.00 35.03 33.27 2qbk n LYS 12 CO 0.00 0.00 0.00 0.54 -0.05 0.00 0.00 177.40 177.89 2qbk n ARG 13 N -4.40 0.00 -0.65 -1.58 5.12 -1.26 -4.90 116.66 109.00 2qbk n ARG 13 Ca -0.35 0.00 0.00 0.00 -1.93 0.00 0.00 57.85 55.57 2qbk n ARG 13 Cb 0.69 0.00 0.00 0.00 -1.16 0.00 0.00 32.46 31.99 2qbk n ARG 13 CO 0.00 0.00 0.00 -0.25 -1.93 0.00 0.00 177.63 175.45 2qbk n ASP 14 N 3.16 -4.51 -4.91 0.55 8.00 -1.26 -3.67 116.55 113.91 2qbk n ASP 14 Ca 0.00 0.47 -0.31 0.00 0.71 0.00 0.00 54.79 55.66 2qbk n ASP 14 Cb 0.00 -1.14 -0.04 0.00 -0.02 0.00 0.00 41.12 39.91 2qbk n ASP 14 CO 0.00 0.00 0.00 0.26 -0.39 0.00 0.00 177.20 177.07 2qbk s TRP 15 N -1.55 3.50 0.23 1.24 0.52 -1.26 -1.35 118.94 120.28 2qbk s TRP 15 Ca 0.00 0.39 0.01 0.00 0.02 0.00 0.00 56.10 56.51 2qbk s TRP 15 Cb 0.00 -1.87 -0.00 0.00 -1.15 0.00 0.00 33.47 30.45 2qbk s TRP 15 CO 0.00 0.52 0.28 0.66 0.02 0.00 0.00 176.95 178.43 2qbk n TYR 16 N 0.20 -0.93 -3.71 -1.98 4.02 -1.25 -3.02 117.16 110.49 2qbk n TYR 16 Ca -0.04 -1.69 -0.13 0.00 -0.01 0.00 0.00 57.90 56.04 2qbk n TYR 16 Cb 0.51 0.31 -0.09 0.00 -0.02 0.00 0.00 39.34 40.05 2qbk n TYR 16 CO 0.00 0.00 0.00 0.08 -1.01 0.00 0.00 176.86 175.93 2qbk s VAL 17 N -2.76 -0.00 0.05 -0.72 1.01 -1.23 -3.54 120.40 113.21 2qbk s VAL 17 Ca 0.22 0.01 -0.08 0.00 0.00 0.00 0.00 61.98 62.12 2qbk s VAL 17 Cb -0.00 -0.67 -0.00 0.00 0.00 0.00 0.00 36.38 35.71 2qbk s VAL 17 CO 0.16 0.00 0.17 0.54 0.00 0.00 0.00 175.10 175.97 2qbk s VAL 18 N 0.37 0.12 -0.32 2.92 0.11 -1.00 -1.84 120.40 120.76 2qbk s VAL 18 Ca -0.01 -1.00 -0.01 0.00 -2.93 0.00 0.00 61.98 58.03 2qbk s VAL 18 Cb -0.04 -0.99 0.07 0.00 -1.53 0.00 0.00 36.38 33.89 2qbk s VAL 18 CO -0.01 -0.55 0.04 -0.62 -3.33 0.00 0.00 175.10 170.63 2qbk s ASP 19 N -2.24 4.90 -1.29 3.54 3.68 -1.26 0.26 116.67 124.26 2qbk s ASP 19 Ca -0.03 -1.57 -0.18 0.00 2.13 0.00 0.00 52.55 52.90 2qbk s ASP 19 Cb 0.00 -1.71 0.04 0.00 -1.45 0.00 0.00 42.92 39.80 2qbk s ASP 19 CO -0.05 -0.33 1.85 0.00 0.13 0.00 0.00 175.17 176.77 2qbk n ALA 20 N 4.55 3.66 -2.00 3.66 0.00 -1.26 -4.69 120.51 124.42 2qbk n ALA 20 Ca -0.09 -3.73 0.00 0.00 0.00 0.00 0.00 53.44 49.62 2qbk n ALA 20 Cb 0.43 -3.58 0.00 0.00 0.00 0.00 0.00 19.45 16.29 2qbk n ALA 20 CO 0.00 0.00 0.00 2.41 0.00 0.00 0.00 177.50 179.91 2qbk n THR 21 N 6.35 0.00 0.06 0.00 -1.04 -1.26 -2.34 114.28 116.05 2qbk n THR 21 Ca 0.49 0.00 0.03 0.00 -2.04 0.00 0.00 64.05 62.53 2qbk n THR 21 Cb 0.45 -0.09 0.16 0.00 -1.82 0.00 0.00 70.33 69.03 2qbk n THR 21 CO 0.00 0.00 0.00 0.61 -0.64 0.00 0.00 175.07 175.04 2qbk n GLY 22 N 4.30 -0.50 3.73 3.41 0.00 -1.26 -2.45 105.19 112.43 2qbk n GLY 22 Ca 0.00 0.05 -0.41 0.00 0.00 0.00 0.00 46.02 45.66 2qbk n GLY 22 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 2qbk n LYS 23 N -1.65 2.25 0.00 1.61 4.76 -1.26 -4.58 118.16 119.30 2qbk n LYS 23 Ca -0.00 0.80 0.14 0.00 -2.87 0.00 0.00 58.31 56.37 2qbk n LYS 23 Cb 0.15 -2.50 0.82 0.00 -1.84 0.00 0.00 35.03 31.66 2qbk n LYS 23 CO 0.00 0.00 0.00 0.25 -1.37 0.00 0.00 177.40 176.28 2qbk n THR 24 N 0.09 0.00 -1.01 -0.18 -2.24 -1.26 -0.67 114.28 109.01 2qbk n THR 24 Ca 0.04 0.00 0.05 0.00 -2.27 0.00 0.00 64.05 61.87 2qbk n THR 24 Cb 0.39 -0.50 -0.03 0.00 -2.10 0.00 0.00 70.33 68.09 2qbk n THR 24 CO 0.00 0.00 0.00 -0.11 -0.57 0.00 0.00 175.07 174.39 2qbk n LEU 25 N -0.97 -0.94 0.00 3.22 -0.00 -1.25 -4.08 117.00 112.98 2qbk n LEU 25 Ca 0.21 1.78 0.00 0.00 -0.00 0.00 0.00 56.01 57.99 2qbk n LEU 25 Cb 0.09 -1.86 0.00 0.00 -0.00 0.00 0.00 43.42 41.66 2qbk n LEU 25 CO 0.15 -0.90 0.00 0.61 -0.00 0.00 0.00 177.39 177.25 2qbk n GLY 26 N -2.78 0.54 0.33 -3.96 0.00 -1.26 -3.91 105.19 94.14 2qbk n GLY 26 Ca -0.03 -0.01 0.18 0.00 0.00 0.00 0.00 46.02 46.17 2qbk n GLY 26 CO 0.00 0.00 0.00 3.21 0.00 0.00 0.00 173.32 176.53 2qbk h ARG 27 N 0.00 0.00 0.00 1.61 3.08 -1.99 0.69 114.38 117.76 2qbk h ARG 27 Ca 0.00 0.00 -0.38 0.00 0.07 0.00 0.00 59.98 59.67 2qbk h ARG 27 Cb 0.00 0.00 -0.07 0.00 0.08 0.00 0.00 29.97 29.98 2qbk h ARG 27 CO 0.00 0.00 -2.44 1.47 -1.07 0.00 0.00 179.97 177.93 2qbk n LEU 28 N -2.93 2.92 -0.07 3.04 -0.00 -1.25 -4.28 117.00 114.42 2qbk n LEU 28 Ca -0.02 -0.11 -0.07 0.00 -0.00 0.00 0.00 56.01 55.81 2qbk n LEU 28 Cb 0.26 -0.88 -0.01 0.00 -0.00 0.00 0.00 43.42 42.79 2qbk n LEU 28 CO 0.16 0.91 0.77 0.00 -0.00 0.00 0.00 177.39 179.23 2qbk h ALA 29 N -0.05 0.11 -0.77 1.47 0.00 -1.15 0.26 119.26 119.13 2qbk h ALA 29 Ca -0.57 0.11 0.12 0.00 0.00 0.00 0.00 54.91 54.57 2qbk h ALA 29 Cb 1.86 0.32 -0.13 0.00 0.00 0.00 0.00 17.79 19.83 2qbk h ALA 29 CO -0.10 -0.52 -0.39 0.00 0.00 0.00 0.00 179.25 178.23 2qbk h THR 30 N -0.08 0.08 0.26 0.00 1.03 0.04 1.08 112.91 115.32 2qbk h THR 30 Ca 0.15 0.00 -0.00 0.00 -0.01 0.00 0.00 66.41 66.55 2qbk h THR 30 Cb 0.31 0.08 -0.01 0.00 -1.07 0.00 0.00 68.15 67.45 2qbk h THR 30 CO -0.34 0.00 -0.21 -0.08 -0.01 0.00 0.00 175.52 174.88 2qbk h GLU 31 N -0.10 -0.46 -0.69 0.00 4.57 -1.40 0.37 114.58 116.86 2qbk h GLU 31 Ca 0.26 0.03 0.07 0.00 -1.18 0.00 0.00 59.36 58.54 2qbk h GLU 31 Cb 0.56 0.10 -0.09 0.00 -0.16 0.00 0.00 28.75 29.16 2qbk h GLU 31 CO -0.82 -0.31 -0.50 -0.07 -1.18 0.00 0.00 179.01 176.13 2qbk h LEU 32 N -0.48 -1.80 -0.29 1.64 3.38 0.31 0.47 115.31 118.55 2qbk h LEU 32 Ca -0.01 0.26 0.07 0.00 0.09 0.00 0.00 57.88 58.28 2qbk h LEU 32 Cb 0.42 0.78 -0.07 0.00 0.09 0.00 0.00 40.66 41.88 2qbk h LEU 32 CO -0.01 -0.25 -0.18 0.00 0.09 0.00 0.00 178.44 178.08 2qbk h ALA 33 N 0.13 0.01 -1.02 1.53 0.00 0.14 0.24 119.26 120.29 2qbk h ALA 33 Ca 0.11 0.10 0.25 0.00 0.00 0.00 0.00 54.91 55.38 2qbk h ALA 33 Cb 0.41 0.42 -0.09 0.00 0.00 0.00 0.00 17.79 18.53 2qbk h ALA 33 CO -0.71 -0.59 0.66 -0.09 0.00 0.00 0.00 179.25 178.52 2qbk h ARG 34 N -0.16 0.41 0.05 0.00 1.12 0.26 0.32 114.38 116.39 2qbk h ARG 34 Ca 0.15 -0.02 -0.00 0.00 -1.11 0.00 0.00 59.98 59.00 2qbk h ARG 34 Cb 0.39 -0.09 0.00 0.00 -0.01 0.00 0.00 29.97 30.26 2qbk h ARG 34 CO -0.38 0.27 -0.03 -0.09 -3.11 0.00 0.00 179.97 176.63 2qbk h ARG 35 N 0.42 -0.07 -0.57 0.20 9.65 0.29 0.13 114.38 124.43 2qbk h ARG 35 Ca 0.58 0.00 0.10 0.00 -1.10 0.00 0.00 59.98 59.57 2qbk h ARG 35 Cb 1.43 0.02 -0.03 0.00 -1.39 0.00 0.00 29.97 29.99 2qbk h ARG 35 CO -0.29 0.43 0.38 -0.07 2.80 0.00 0.00 179.97 183.23 2qbk h LEU 36 N -0.61 0.30 0.00 3.80 -0.00 0.15 0.13 115.31 119.08 2qbk h LEU 36 Ca -0.01 0.01 -0.15 0.00 -0.00 0.00 0.00 57.88 57.73 2qbk h LEU 36 Cb 0.53 -0.05 -0.02 0.00 -0.00 0.00 0.00 40.66 41.11 2qbk h LEU 36 CO 0.01 0.18 -0.85 -0.09 -0.00 0.00 0.00 178.44 177.69 2qbk h ARG 37 N 0.33 0.00 -0.25 1.13 2.43 -0.45 -3.16 114.38 114.41 2qbk h ARG 37 Ca 0.26 0.00 -0.03 0.00 -0.81 0.00 0.00 59.98 59.40 2qbk h ARG 37 Cb 0.60 0.00 -0.00 0.00 -0.42 0.00 0.00 29.97 30.14 2qbk h ARG 37 CO -0.06 0.55 -0.04 0.41 -1.51 0.00 0.00 179.97 179.32 2qbk n GLY 38 N 1.30 0.31 0.26 2.80 0.00 0.07 -3.14 105.19 106.79 2qbk n GLY 38 Ca -0.02 -0.82 -0.07 0.00 0.00 0.00 0.00 46.02 45.11 2qbk n GLY 38 CO 0.00 0.00 0.00 1.70 0.00 0.00 0.00 173.32 175.02 2qbk h LYS 39 N -0.00 0.72 -0.58 1.61 1.63 -1.67 -3.21 116.57 115.06 2qbk h LYS 39 Ca -0.04 -0.30 0.07 0.00 -0.85 0.00 0.00 60.65 59.54 2qbk h LYS 39 Cb 1.03 -0.03 -0.06 0.00 -0.60 0.00 0.00 32.23 32.57 2qbk h LYS 39 CO 0.05 0.90 0.26 1.12 -3.45 0.00 0.00 179.45 178.32 2qbk h HIS 40 N 0.63 0.47 0.00 1.91 2.07 -1.93 -3.39 115.15 114.90 2qbk h HIS 40 Ca 0.08 0.03 0.00 0.00 -2.85 0.00 0.00 60.37 57.63 2qbk h HIS 40 Cb 0.74 -0.12 0.00 0.00 2.57 0.00 0.00 27.41 30.60 2qbk h HIS 40 CO 0.04 0.18 0.00 1.63 -3.07 0.00 0.00 177.93 176.70 2qbk n LYS 41 N -4.92 2.69 -2.73 5.12 5.02 -1.21 -4.83 118.16 117.29 2qbk n LYS 41 Ca 0.07 0.00 -0.39 0.00 -2.02 0.00 0.00 58.31 55.97 2qbk n LYS 41 Cb 0.21 0.00 0.01 0.00 -0.02 0.00 0.00 35.03 35.23 2qbk n LYS 41 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 2qbk n ALA 42 N -3.00 5.77 0.00 7.82 0.00 -1.26 -4.86 120.51 124.98 2qbk n ALA 42 Ca 0.00 -4.65 0.00 0.00 0.00 0.00 0.00 53.44 48.79 2qbk n ALA 42 Cb 0.00 -2.00 0.00 0.00 0.00 0.00 0.00 19.45 17.45 2qbk n ALA 42 CO 0.00 0.00 0.00 -1.91 0.00 0.00 0.00 177.50 175.59 2qbk n GLU 43 N 0.08 0.00 -1.50 0.00 0.00 -1.24 -4.68 120.64 113.31 2qbk n GLU 43 Ca 0.42 0.12 -0.22 0.00 0.00 0.00 0.00 57.16 57.49 2qbk n GLU 43 Cb 0.29 -1.71 -0.22 0.00 0.00 0.00 0.00 31.44 29.79 2qbk n GLU 43 CO 0.00 0.00 0.00 0.98 0.00 0.00 0.00 177.13 178.11 2qbk n TYR 44 N -1.01 0.02 0.00 4.31 -0.00 -1.26 -3.48 117.16 115.74 2qbk n TYR 44 Ca 0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 57.90 57.90 2qbk n TYR 44 Cb 0.21 -0.54 0.00 0.00 -0.00 0.00 0.00 39.34 39.01 2qbk n TYR 44 CO 0.00 0.00 0.00 -2.37 -0.00 0.00 0.00 176.86 174.49 2qbk n THR 45 N 5.56 0.00 0.26 2.97 5.66 -1.26 -2.99 114.28 124.48 2qbk n THR 45 Ca 0.67 0.00 0.07 0.00 -3.05 0.00 0.00 64.05 61.73 2qbk n THR 45 Cb 0.15 0.00 0.36 0.00 -1.55 0.00 0.00 70.33 69.29 2qbk n THR 45 CO 0.00 0.00 0.00 -0.65 -3.05 0.00 0.00 175.07 171.37 2qbk h PRO 46 N 0.00 0.00 -0.74 1.09 0.11 -1.98 0.26 132.00 130.74 2qbk h PRO 46 Ca 0.00 0.00 -0.19 0.00 0.11 0.00 0.00 66.00 65.92 2qbk h PRO 46 Cb 0.00 0.00 -0.12 0.00 0.11 0.00 0.00 31.00 30.99 2qbk h PRO 46 CO 0.00 0.00 0.25 -2.39 -0.21 0.00 0.00 178.00 175.65 2qbk n HIS 47 N -2.37 2.44 -3.76 0.65 1.44 -1.26 -4.89 115.22 107.46 2qbk n HIS 47 Ca -0.01 -1.14 -0.12 0.00 -2.01 0.00 0.00 57.72 54.44 2qbk n HIS 47 Cb 0.58 -0.67 -0.12 0.00 0.12 0.00 0.00 29.99 29.89 2qbk n HIS 47 CO 0.00 0.00 0.00 0.08 -2.81 0.00 0.00 176.34 173.61 2qbk s VAL 48 N -2.94 -0.02 -0.88 0.61 1.01 0.92 -5.06 120.40 114.05 2qbk s VAL 48 Ca 0.55 0.06 -0.25 0.00 0.00 0.00 0.00 61.98 62.34 2qbk s VAL 48 Cb 0.44 -0.38 -0.01 0.00 0.00 0.00 0.00 36.38 36.43 2qbk s VAL 48 CO 0.14 0.02 1.72 -0.62 0.00 0.00 0.00 175.10 176.36 2qbk s ASP 49 N 0.60 5.66 0.00 3.32 2.15 -1.26 -4.71 116.67 122.42 2qbk s ASP 49 Ca -0.04 -0.72 0.24 0.00 0.43 0.00 0.00 52.55 52.46 2qbk s ASP 49 Cb -0.05 -2.56 0.21 0.00 -0.30 0.00 0.00 42.92 40.22 2qbk s ASP 49 CO -0.03 -2.24 1.22 0.35 -0.17 0.00 0.00 175.17 174.30 2qbk n THR 50 N 7.33 0.00 -0.74 1.71 -2.24 -1.26 -4.92 114.28 114.16 2qbk n THR 50 Ca 0.31 -0.21 -0.33 0.00 -2.27 0.00 0.00 64.05 61.56 2qbk n THR 50 Cb 0.49 0.99 0.14 0.00 -2.10 0.00 0.00 70.33 69.85 2qbk n THR 50 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 2qbk n GLY 51 N 1.40 -2.11 0.00 3.38 0.00 -1.19 -4.31 105.19 102.36 2qbk n GLY 51 Ca 0.10 -0.77 0.00 0.00 0.00 0.00 0.00 46.02 45.34 2qbk n GLY 51 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 2qbk n ASP 52 N -1.62 0.00 -1.81 1.61 10.43 0.22 -4.18 116.55 121.19 2qbk n ASP 52 Ca 0.05 0.00 -0.04 0.00 2.57 0.00 0.00 54.79 57.37 2qbk n ASP 52 Cb 0.56 0.00 0.02 0.00 1.84 0.00 0.00 41.12 43.55 2qbk n ASP 52 CO 0.00 0.00 0.00 -1.22 -1.07 0.00 0.00 177.20 174.91 2qbk n TYR 53 N 0.00 -0.80 -1.68 1.24 4.01 -0.45 -4.67 117.16 114.80 2qbk n TYR 53 Ca 0.00 -1.09 -0.45 0.00 -0.16 0.00 0.00 57.90 56.20 2qbk n TYR 53 Cb 0.00 0.87 -0.04 0.00 -0.31 0.00 0.00 39.34 39.86 2qbk n TYR 53 CO 0.00 0.00 0.00 1.51 -0.46 0.00 0.00 176.86 177.91 2qbk n ILE 54 N -0.65 0.11 -4.05 -0.72 0.13 -1.26 -3.83 119.36 109.08 2qbk n ILE 54 Ca -0.20 -0.03 -0.31 0.00 -1.10 0.00 0.00 62.75 61.11 2qbk n ILE 54 Cb 0.81 -1.65 -0.16 0.00 -0.84 0.00 0.00 39.64 37.80 2qbk n ILE 54 CO 0.00 0.00 0.00 0.27 2.80 0.00 0.00 176.55 179.62 2qbk s ILE 55 N 0.86 1.82 0.95 9.51 -4.36 -1.23 -3.63 121.20 125.12 2qbk s ILE 55 Ca 0.77 -0.95 -0.11 0.00 -0.26 0.00 0.00 60.65 60.10 2qbk s ILE 55 Cb -0.63 -1.76 0.16 0.00 1.25 0.00 0.00 42.46 41.48 2qbk s ILE 55 CO 0.38 0.35 1.10 -0.69 0.24 0.00 0.00 174.94 176.32 2qbk s VAL 56 N 1.35 2.32 0.00 8.37 1.01 -1.24 -2.37 120.40 129.84 2qbk s VAL 56 Ca 0.02 0.10 0.00 0.00 0.00 0.00 0.00 61.98 62.10 2qbk s VAL 56 Cb -0.15 -2.27 0.00 0.00 0.00 0.00 0.00 36.38 33.96 2qbk s VAL 56 CO -0.10 -0.14 0.00 -0.11 0.00 0.00 0.00 175.10 174.75 2qbk n LEU 57 N -4.25 0.00 0.03 3.92 7.94 0.14 -3.93 117.00 120.86 2qbk n LEU 57 Ca 0.09 0.00 -0.04 0.00 -1.11 0.00 0.00 56.01 54.94 2qbk n LEU 57 Cb 0.53 0.00 -0.02 0.00 0.53 0.00 0.00 43.42 44.46 2qbk n LEU 57 CO 0.53 0.00 0.50 0.78 -1.11 0.00 0.00 177.39 178.09 2qbk h ASN 58 N 0.00 -0.39 0.00 1.96 4.21 -1.79 -3.32 115.58 116.25 2qbk h ASN 58 Ca 0.00 0.04 0.00 0.00 1.21 0.00 0.00 56.30 57.55 2qbk h ASN 58 Cb 0.00 0.14 0.00 0.00 -1.12 0.00 0.00 38.32 37.34 2qbk h ASN 58 CO 0.00 -0.14 0.00 0.00 -1.29 0.00 0.00 177.43 176.00 2qbk n ALA 59 N -2.54 0.00 0.53 -0.83 0.00 -0.99 -4.12 120.51 112.56 2qbk n ALA 59 Ca -0.02 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.42 2qbk n ALA 59 Cb 0.10 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.55 2qbk n ALA 59 CO 0.00 0.00 0.00 -0.40 0.00 0.00 0.00 177.50 177.10 2qbk n ASP 60 N 0.77 0.13 -0.93 0.00 5.75 -1.26 -0.39 116.55 120.62 2qbk n ASP 60 Ca 0.00 -0.66 0.02 0.00 -0.01 0.00 0.00 54.79 54.14 2qbk n ASP 60 Cb 0.00 -0.06 0.01 0.00 -1.03 0.00 0.00 41.12 40.04 2qbk n ASP 60 CO 0.00 0.00 0.00 0.29 -0.11 0.00 0.00 177.20 177.38 2qbk n LYS 61 N -0.18 0.03 -3.22 0.11 5.02 -1.26 -5.08 118.16 113.57 2qbk n LYS 61 Ca 0.00 -1.47 -0.39 0.00 -2.02 0.00 0.00 58.31 54.43 2qbk n LYS 61 Cb 0.03 -0.30 -0.06 0.00 -0.02 0.00 0.00 35.03 34.68 2qbk n LYS 61 CO 0.00 0.00 0.00 0.54 -0.52 0.00 0.00 177.40 177.42 2qbk s VAL 62 N -0.06 4.99 1.34 -0.18 0.11 0.48 -4.12 120.40 122.96 2qbk s VAL 62 Ca 0.15 1.19 -0.22 0.00 -2.93 0.00 0.00 61.98 60.18 2qbk s VAL 62 Cb 0.18 -3.91 0.34 0.00 -1.53 0.00 0.00 36.38 31.45 2qbk s VAL 62 CO -0.07 0.39 1.02 0.00 -3.33 0.00 0.00 175.10 173.10 2qbk s ALA 63 N 0.05 -0.09 0.00 1.54 0.00 0.15 -4.92 121.76 118.49 2qbk s ALA 63 Ca 0.30 -0.94 0.00 0.00 0.00 0.00 0.00 51.96 51.32 2qbk s ALA 63 Cb -0.17 -2.89 0.00 0.00 0.00 0.00 0.00 23.12 20.06 2qbk s ALA 63 CO 0.16 -4.17 0.00 1.55 0.00 0.00 0.00 175.76 173.30 2qbk n VAL 64 N -5.26 0.00 -0.99 0.00 3.14 -1.26 -3.95 118.33 110.00 2qbk n VAL 64 Ca 0.14 0.00 0.12 0.00 -2.96 0.00 0.00 64.34 61.64 2qbk n VAL 64 Cb 0.60 0.14 -0.06 0.00 -1.06 0.00 0.00 33.84 33.46 2qbk n VAL 64 CO 0.00 0.00 0.00 1.07 -6.46 0.00 0.00 176.83 171.44 2qbk n THR 65 N 0.00 -0.55 -3.97 1.55 5.66 -1.26 -4.83 114.28 110.88 2qbk n THR 65 Ca 0.00 0.61 0.00 0.00 -3.05 0.00 0.00 64.05 61.61 2qbk n THR 65 Cb 0.00 -0.94 0.00 0.00 -1.55 0.00 0.00 70.33 67.84 2qbk n THR 65 CO 0.00 0.00 0.00 0.61 -3.05 0.00 0.00 175.07 172.63 2qbk n GLY 66 N -3.63 -0.34 0.22 1.09 0.00 -1.26 -3.24 105.19 98.02 2qbk n GLY 66 Ca -0.06 -0.80 0.05 0.00 0.00 0.00 0.00 46.02 45.21 2qbk n GLY 66 CO 0.00 0.00 0.00 0.70 0.00 0.00 0.00 173.32 174.02 2qbk n ASN 67 N -3.21 0.64 -0.31 1.61 3.02 -1.26 -4.21 115.26 111.54 2qbk n ASN 67 Ca 0.00 -1.82 0.15 0.00 -0.03 0.00 0.00 54.58 52.88 2qbk n ASN 67 Cb 0.00 -0.07 0.32 0.00 -0.61 0.00 0.00 39.78 39.43 2qbk n ASN 67 CO 0.00 0.00 0.00 0.11 -2.62 0.00 0.00 177.26 174.75 2qbk h LYS 68 N 0.75 0.18 -1.43 3.52 1.57 -1.78 0.99 116.57 120.37 2qbk h LYS 68 Ca 0.00 -0.01 0.47 0.00 -1.87 0.00 0.00 60.65 59.24 2qbk h LYS 68 Cb 0.17 -0.04 -0.12 0.00 0.08 0.00 0.00 32.23 32.32 2qbk h LYS 68 CO 0.00 0.12 0.94 -0.09 -0.57 0.00 0.00 179.45 179.85 2qbk h ARG 69 N 0.18 0.04 0.00 3.15 9.65 -1.77 -0.44 114.38 125.19 2qbk h ARG 69 Ca 0.59 -0.00 0.00 0.00 -1.10 0.00 0.00 59.98 59.47 2qbk h ARG 69 Cb 1.24 -0.01 0.00 0.00 -1.39 0.00 0.00 29.97 29.81 2qbk h ARG 69 CO -0.69 0.03 -0.44 0.25 2.80 0.00 0.00 179.97 181.92 2qbk n THR 70 N -4.60 0.00 -2.43 0.20 -2.24 0.12 -1.56 114.28 103.77 2qbk n THR 70 Ca 0.39 -0.28 -0.29 0.00 -2.27 0.00 0.00 64.05 61.60 2qbk n THR 70 Cb 1.56 0.78 0.00 0.00 -2.10 0.00 0.00 70.33 70.57 2qbk n THR 70 CO 0.00 0.00 0.00 0.47 -0.57 0.00 0.00 175.07 174.97 2qbk n ASP 71 N -1.21 5.19 -0.62 3.42 9.92 0.30 -4.88 116.55 128.67 2qbk n ASP 71 Ca 0.00 -3.74 0.00 0.00 -0.53 0.00 0.00 54.79 50.52 2qbk n ASP 71 Cb 0.00 -0.58 0.00 0.00 -0.64 0.00 0.00 41.12 39.90 2qbk n ASP 71 CO 0.00 0.00 0.00 1.17 0.13 0.00 0.00 177.20 178.50 2qbk n LYS 72 N -0.47 3.74 0.00 -1.24 0.00 -0.86 -4.51 118.16 114.82 2qbk n LYS 72 Ca 0.41 0.00 0.00 0.00 0.00 0.00 0.00 58.31 58.72 2qbk n LYS 72 Cb 0.56 0.00 0.00 0.00 0.00 0.00 0.00 35.03 35.59 2qbk n LYS 72 CO 0.00 0.00 0.00 1.33 0.00 0.00 0.00 177.40 178.73 2qbk n VAL 73 N 0.00 0.00 -2.45 3.15 0.24 -1.26 -4.80 118.33 113.22 2qbk n VAL 73 Ca 0.00 0.00 -0.01 0.00 -2.04 0.00 0.00 64.34 62.29 2qbk n VAL 73 Cb 0.00 0.00 0.00 0.00 -1.47 0.00 0.00 33.84 32.37 2qbk n VAL 73 CO 0.00 0.00 0.00 -1.22 -2.14 0.00 0.00 176.83 173.47 2qbk n TYR 74 N 0.00 -1.94 -3.35 6.34 0.53 -1.26 -2.96 117.16 114.51 2qbk n TYR 74 Ca 0.00 0.75 -0.24 0.00 -1.02 0.00 0.00 57.90 57.39 2qbk n TYR 74 Cb 0.00 -3.13 -0.01 0.00 -1.03 0.00 0.00 39.34 35.17 2qbk n TYR 74 CO 0.00 0.00 0.00 0.71 -1.02 0.00 0.00 176.86 176.55 2qbk s TYR 75 N -2.77 3.47 -0.30 -0.72 2.02 -1.26 -2.68 117.35 115.11 2qbk s TYR 75 Ca 0.04 0.32 -0.22 0.00 -0.37 0.00 0.00 57.07 56.83 2qbk s TYR 75 Cb -0.01 -1.93 0.18 0.00 -0.40 0.00 0.00 41.96 39.80 2qbk s TYR 75 CO 0.47 0.08 1.31 -3.38 -1.57 0.00 0.00 175.55 172.46 2qbk s HIS 76 N -2.33 -0.16 0.03 2.71 -3.43 -0.46 -4.99 115.29 106.66 2qbk s HIS 76 Ca 0.41 0.36 -0.03 0.00 -0.80 0.00 0.00 55.06 55.00 2qbk s HIS 76 Cb -0.10 0.35 -0.04 0.00 -1.43 0.00 0.00 32.58 31.36 2qbk s HIS 76 CO 0.36 -0.08 0.23 -1.58 -2.00 0.00 0.00 174.74 171.67 2qbk s HIS 77 N 0.39 3.54 0.14 0.38 2.46 -1.26 0.14 115.29 121.07 2qbk s HIS 77 Ca 0.02 0.39 0.07 0.00 0.47 0.00 0.00 55.06 56.01 2qbk s HIS 77 Cb -0.04 -1.86 -0.14 0.00 -0.13 0.00 0.00 32.58 30.41 2qbk s HIS 77 CO -0.13 0.60 1.32 1.79 -2.47 0.00 0.00 174.74 175.85 2qbk h THR 78 N 2.58 1.68 0.00 0.89 1.35 -1.89 -3.46 112.91 114.06 2qbk h THR 78 Ca -0.48 -3.26 0.00 0.00 -0.55 0.00 0.00 66.41 62.12 2qbk h THR 78 Cb 1.18 2.76 0.00 0.00 -1.73 0.00 0.00 68.15 70.36 2qbk h THR 78 CO 0.71 0.93 0.00 0.61 -0.25 0.00 0.00 175.52 177.52 2qbk n GLY 79 N 1.21 0.93 3.64 5.82 0.00 -1.26 -5.06 105.19 110.47 2qbk n GLY 79 Ca -0.00 0.00 -0.26 0.00 0.00 0.00 0.00 46.02 45.75 2qbk n GLY 79 CO 0.00 0.00 0.00 0.30 0.00 0.00 0.00 173.32 173.62 2qbk s HIS 80 N -2.00 2.53 0.00 1.61 3.76 -1.26 -5.06 115.29 114.88 2qbk s HIS 80 Ca 0.00 -0.58 0.00 0.00 -0.15 0.00 0.00 55.06 54.33 2qbk s HIS 80 Cb 0.00 -1.73 0.00 0.00 1.11 0.00 0.00 32.58 31.96 2qbk s HIS 80 CO 0.00 0.40 0.00 1.51 -0.85 0.00 0.00 174.74 175.80 2qbk n ILE 81 N -1.02 0.00 -0.05 0.60 3.06 -1.26 -3.58 119.36 117.11 2qbk n ILE 81 Ca -0.04 0.00 -0.05 0.00 -2.50 0.00 0.00 62.75 60.16 2qbk n ILE 81 Cb 0.65 0.00 -0.02 0.00 0.54 0.00 0.00 39.64 40.81 2qbk n ILE 81 CO 0.00 0.00 0.00 0.61 -2.50 0.00 0.00 176.55 174.66 2qbk n GLY 82 N -0.07 -0.63 7.00 4.50 0.00 -1.26 -4.96 105.19 109.76 2qbk n GLY 82 Ca 0.00 -0.18 0.00 0.00 0.00 0.00 0.00 46.02 45.84 2qbk n GLY 82 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2qbk n GLY 83 N 1.55 1.47 3.16 -0.02 0.00 -1.23 -4.83 105.19 105.28 2qbk n GLY 83 Ca -0.07 0.57 -0.30 0.00 0.00 0.00 0.00 46.02 46.22 2qbk n GLY 83 CO 0.00 0.00 0.00 4.51 0.00 0.00 0.00 173.32 177.83 2qbk n ILE 84 N 0.00 -3.13 -3.44 -0.61 0.13 -1.26 -4.86 119.36 106.18 2qbk n ILE 84 Ca 0.00 0.11 -0.27 0.00 -1.10 0.00 0.00 62.75 61.50 2qbk n ILE 84 Cb 0.00 -3.01 -0.02 0.00 -0.84 0.00 0.00 39.64 35.77 2qbk n ILE 84 CO 0.00 0.00 0.00 -0.54 2.80 0.00 0.00 176.55 178.81 2qbk s LYS 85 N -1.97 3.55 0.06 9.51 -0.14 0.12 -4.90 119.74 125.97 2qbk s LYS 85 Ca 0.29 -0.20 -0.13 0.00 -1.36 0.00 0.00 55.97 54.58 2qbk s LYS 85 Cb -0.03 -2.70 0.02 0.00 -1.68 0.00 0.00 37.83 33.43 2qbk s LYS 85 CO 0.66 0.24 0.28 1.14 -0.76 0.00 0.00 175.35 176.91 2qbk s GLN 86 N -3.75 0.84 -0.29 1.68 -2.07 -1.26 -1.35 119.66 113.46 2qbk s GLN 86 Ca 0.41 -0.64 -0.07 0.00 -1.82 0.00 0.00 55.36 53.24 2qbk s GLN 86 Cb -0.10 0.36 0.14 0.00 -1.09 0.00 0.00 33.01 32.31 2qbk s GLN 86 CO 0.32 -0.28 0.60 0.00 -1.32 0.00 0.00 175.29 174.61 2qbk s ALA 87 N -2.99 -1.97 0.78 2.60 0.00 -1.09 -5.03 121.76 114.07 2qbk s ALA 87 Ca -0.02 2.07 -0.13 0.00 0.00 0.00 0.00 51.96 53.88 2qbk s ALA 87 Cb 0.01 -1.82 0.07 0.00 0.00 0.00 0.00 23.12 21.37 2qbk s ALA 87 CO -0.06 -1.02 1.18 -0.08 0.00 0.00 0.00 175.76 175.78 2qbk s THR 88 N 2.84 2.30 0.18 0.00 -1.32 -1.22 -4.24 115.64 114.19 2qbk s THR 88 Ca 0.02 0.13 -0.20 0.00 -1.21 0.00 0.00 61.69 60.43 2qbk s THR 88 Cb -0.13 -2.55 0.12 0.00 -1.51 0.00 0.00 72.50 68.43 2qbk s THR 88 CO -0.19 -0.10 1.37 0.33 -2.21 0.00 0.00 174.62 173.83 2qbk n PHE 89 N -3.17 -0.11 -0.21 9.09 -0.00 -1.26 0.09 117.46 121.88 2qbk n PHE 89 Ca 0.13 1.10 -0.04 0.00 -0.00 0.00 0.00 57.45 58.64 2qbk n PHE 89 Cb 0.51 -0.74 0.02 0.00 -0.00 0.00 0.00 39.48 39.27 2qbk n PHE 89 CO 0.00 0.00 0.00 1.49 -0.00 0.00 0.00 176.76 178.25 2qbk h GLU 90 N 0.00 -0.12 -0.23 -4.13 4.81 -1.55 -0.42 114.58 112.95 2qbk h GLU 90 Ca 0.25 0.01 0.04 0.00 -0.13 0.00 0.00 59.36 59.53 2qbk h GLU 90 Cb 0.47 0.03 -0.04 0.00 0.63 0.00 0.00 28.75 29.84 2qbk h GLU 90 CO -0.86 -0.08 -0.05 0.93 -0.73 0.00 0.00 179.01 178.22 2qbk h GLU 91 N -0.12 0.01 -0.61 1.92 5.08 -0.65 -2.17 114.58 118.03 2qbk h GLU 91 Ca 0.26 -0.00 0.12 0.00 -1.00 0.00 0.00 59.36 58.73 2qbk h GLU 91 Cb 0.54 -0.00 -0.09 0.00 0.50 0.00 0.00 28.75 29.70 2qbk h GLU 91 CO -0.69 0.01 0.12 0.52 -1.00 0.00 0.00 179.01 177.97 2qbk h MET 92 N 0.01 0.24 -0.69 2.33 2.86 -0.21 -1.01 114.93 118.46 2qbk h MET 92 Ca 0.11 -0.01 0.07 0.00 -2.06 0.00 0.00 59.70 57.80 2qbk h MET 92 Cb 0.16 -0.05 -0.06 0.00 0.06 0.00 0.00 31.60 31.71 2qbk h MET 92 CO -0.22 0.16 0.37 0.82 1.06 0.00 0.00 176.91 179.09 2qbk h ILE 93 N 0.25 0.93 -0.74 -1.22 5.03 -0.61 -2.77 117.51 118.37 2qbk h ILE 93 Ca 0.32 -0.23 0.10 0.00 -0.12 0.00 0.00 64.86 64.93 2qbk h ILE 93 Cb 0.49 0.21 -0.12 0.00 -3.03 0.00 0.00 36.82 34.37 2qbk h ILE 93 CO -0.42 0.12 -0.48 0.00 -0.68 0.00 0.00 178.15 176.69 2qbk h ALA 94 N 1.37 -0.34 -3.36 1.87 0.00 -0.67 -3.37 119.26 114.77 2qbk h ALA 94 Ca 0.32 0.13 -0.51 0.00 0.00 0.00 0.00 54.91 54.85 2qbk h ALA 94 Cb 0.24 1.09 -0.34 0.00 0.00 0.00 0.00 17.79 18.78 2qbk h ALA 94 CO -0.21 -0.85 -0.81 -0.98 0.00 0.00 0.00 179.25 176.41 2qbk s ARG 95 N -5.75 1.61 -0.86 0.00 1.04 -1.05 -4.88 118.95 109.06 2qbk s ARG 95 Ca -0.14 -0.35 -0.03 0.00 -1.04 0.00 0.00 55.73 54.17 2qbk s ARG 95 Cb 0.14 -1.42 -0.03 0.00 -2.04 0.00 0.00 34.95 31.59 2qbk s ARG 95 CO 0.66 -0.06 0.78 0.54 -0.04 0.00 0.00 175.30 177.18 2qbk n ARG 96 N 4.13 -1.70 0.23 3.89 1.74 -1.25 -4.74 116.66 118.96 2qbk n ARG 96 Ca -0.20 1.18 0.10 0.00 -0.77 0.00 0.00 57.85 58.16 2qbk n ARG 96 Cb 0.51 -5.68 0.53 0.00 -1.02 0.00 0.00 32.46 26.80 2qbk n ARG 96 CO 0.00 0.00 0.00 -1.35 -1.52 0.00 0.00 177.63 174.76 2qbk h PRO 97 N -0.25 0.00 -0.88 5.56 0.11 -1.72 -3.27 132.00 131.54 2qbk h PRO 97 Ca -0.28 0.00 0.16 0.00 0.11 0.00 0.00 66.00 65.99 2qbk h PRO 97 Cb 1.14 0.00 -0.16 0.00 0.11 0.00 0.00 31.00 32.09 2qbk h PRO 97 CO 0.35 0.22 -0.31 0.93 -0.21 0.00 0.00 178.00 178.99 2qbk h GLU 98 N 0.00 -0.03 -0.94 1.05 3.07 -1.90 0.29 114.58 116.13 2qbk h GLU 98 Ca -0.00 0.00 0.23 0.00 -0.50 0.00 0.00 59.36 59.09 2qbk h GLU 98 Cb 0.62 0.01 -0.06 0.00 -0.84 0.00 0.00 28.75 28.47 2qbk h GLU 98 CO 0.03 -0.02 0.63 0.00 -1.40 0.00 0.00 179.01 178.25 2qbk h ARG 99 N -0.03 0.30 -0.60 2.33 3.08 -1.96 0.19 114.38 117.70 2qbk h ARG 99 Ca 0.37 -0.02 0.17 0.00 0.07 0.00 0.00 59.98 60.57 2qbk h ARG 99 Cb 0.62 -0.07 -0.02 0.00 0.08 0.00 0.00 29.97 30.58 2qbk h ARG 99 CO -0.91 0.20 0.69 0.28 -1.07 0.00 0.00 179.97 179.16 2qbk h VAL 100 N 0.31 0.23 0.00 2.04 2.07 -0.64 0.21 116.25 120.47 2qbk h VAL 100 Ca 0.49 0.00 -0.37 0.00 0.82 0.00 0.00 66.70 67.64 2qbk h VAL 100 Cb 1.38 0.44 -0.06 0.00 -1.52 0.00 0.00 31.29 31.53 2qbk h VAL 100 CO -0.16 0.00 -2.24 -0.38 0.02 0.00 0.00 177.57 174.81 2qbk n ILE 101 N -3.52 1.22 -0.29 4.57 2.08 0.59 -3.58 119.36 120.42 2qbk n ILE 101 Ca 0.12 -0.32 0.11 0.00 0.56 0.00 0.00 62.75 63.22 2qbk n ILE 101 Cb 0.91 -1.76 0.26 0.00 -0.75 0.00 0.00 39.64 38.30 2qbk n ILE 101 CO 0.00 0.00 0.00 -0.33 0.56 0.00 0.00 176.55 176.78 2qbk h GLU 102 N -0.74 0.18 0.18 0.38 5.08 -0.37 0.88 114.58 120.18 2qbk h GLU 102 Ca -0.56 -0.01 -0.31 0.00 -1.00 0.00 0.00 59.36 57.48 2qbk h GLU 102 Cb 1.51 -0.04 0.02 0.00 0.50 0.00 0.00 28.75 30.73 2qbk h GLU 102 CO -0.32 0.12 -1.40 -0.84 -1.00 0.00 0.00 179.01 175.57 2qbk h ILE 103 N 0.19 1.34 -0.04 3.13 -0.00 -0.88 0.25 117.51 121.51 2qbk h ILE 103 Ca 0.52 -2.87 0.01 0.00 -0.00 0.00 0.00 64.86 62.52 2qbk h ILE 103 Cb 1.03 2.95 -0.00 0.00 -0.00 0.00 0.00 36.82 40.79 2qbk h ILE 103 CO -0.66 0.85 0.04 0.00 -0.00 0.00 0.00 178.15 178.38 2qbk h ALA 104 N 0.39 1.70 0.00 0.16 0.00 -0.83 0.23 119.26 120.91 2qbk h ALA 104 Ca -0.21 -0.00 -0.27 0.00 0.00 0.00 0.00 54.91 54.43 2qbk h ALA 104 Cb 2.06 0.00 -0.05 0.00 0.00 0.00 0.00 17.79 19.80 2qbk h ALA 104 CO 0.22 -0.06 -2.23 1.33 0.00 0.00 0.00 179.25 178.52 2qbk n VAL 105 N -4.02 1.05 0.32 0.00 0.24 0.28 -3.84 118.33 112.37 2qbk n VAL 105 Ca -0.02 -0.76 0.16 0.00 -2.04 0.00 0.00 64.34 61.67 2qbk n VAL 105 Cb 0.13 -0.38 0.60 0.00 -1.47 0.00 0.00 33.84 32.72 2qbk n VAL 105 CO 0.00 0.00 0.00 0.50 -2.14 0.00 0.00 176.83 175.19 2qbk h LYS 106 N 0.00 0.00 0.01 7.34 1.63 0.89 -0.94 116.57 125.50 2qbk h LYS 106 Ca -0.39 0.00 -0.26 0.00 -0.85 0.00 0.00 60.65 59.15 2qbk h LYS 106 Cb 1.91 0.00 -0.04 0.00 -0.60 0.00 0.00 32.23 33.50 2qbk h LYS 106 CO 0.03 0.00 -1.43 0.78 -3.45 0.00 0.00 179.45 175.37 2qbk h GLY 107 N 2.28 0.03 1.74 5.01 0.00 -0.76 -3.29 103.07 108.09 2qbk h GLY 107 Ca 0.00 -0.09 -0.16 0.00 0.00 0.00 0.00 47.33 47.08 2qbk h GLY 107 CO 0.00 0.08 -0.67 -0.33 0.00 0.00 0.00 176.54 175.61 2qbk h MET 108 N 0.01 0.26 -7.13 4.80 2.86 -1.51 -3.45 114.93 110.78 2qbk h MET 108 Ca -0.18 -0.20 -0.50 0.00 -2.06 0.00 0.00 59.70 56.76 2qbk h MET 108 Cb 1.92 0.04 0.08 0.00 0.06 0.00 0.00 31.60 33.70 2qbk h MET 108 CO 0.11 0.84 0.41 -0.51 1.06 0.00 0.00 176.91 178.81 2qbk s LEU 109 N -7.84 3.63 0.58 1.22 1.43 -0.41 -5.03 118.68 112.26 2qbk s LEU 109 Ca -0.04 2.07 -0.03 0.00 -1.03 0.00 0.00 54.13 55.10 2qbk s LEU 109 Cb 0.11 -4.57 0.03 0.00 0.03 0.00 0.00 46.19 41.80 2qbk s LEU 109 CO 0.81 -1.29 0.85 -2.16 0.23 0.00 0.00 176.35 174.79 2qbk s PRO 110 N -3.59 2.63 0.00 1.29 0.04 -1.26 -4.95 135.00 129.15 2qbk s PRO 110 Ca 0.70 -0.40 0.00 0.00 0.04 0.00 0.00 61.00 61.34 2qbk s PRO 110 Cb -0.21 -2.36 0.00 0.00 0.04 0.00 0.00 34.50 31.96 2qbk s PRO 110 CO 0.31 -0.78 0.00 1.63 0.04 0.00 0.00 177.00 178.21 2qbk n LYS 111 N -2.51 0.00 0.03 4.56 4.01 -1.26 -3.52 118.16 119.47 2qbk n LYS 111 Ca 0.06 0.00 0.00 0.00 -0.51 0.00 0.00 58.31 57.86 2qbk n LYS 111 Cb 0.59 0.00 0.00 0.00 -0.51 0.00 0.00 35.03 35.11 2qbk n LYS 111 CO 0.00 0.00 0.00 0.41 -1.11 0.00 0.00 177.40 176.70 2qbk n GLY 112 N 0.00 -0.05 0.39 0.72 0.00 -1.26 -4.64 105.19 100.35 2qbk n GLY 112 Ca 0.00 0.00 -0.14 0.00 0.00 0.00 0.00 46.02 45.88 2qbk n GLY 112 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 2qbk h PRO 113 N 0.00 -0.74 0.12 1.61 0.13 -1.99 -1.59 132.00 129.54 2qbk h PRO 113 Ca 0.00 0.05 -0.17 0.00 -0.87 0.00 0.00 66.00 65.01 2qbk h PRO 113 Cb 0.13 0.17 0.02 0.00 0.13 0.00 0.00 31.00 31.44 2qbk h PRO 113 CO 0.00 -0.49 -0.77 1.25 -0.23 0.00 0.00 178.00 177.76 2qbk h LEU 114 N -0.77 0.41 -0.41 1.56 5.85 -1.93 -3.07 115.31 116.95 2qbk h LEU 114 Ca -0.04 -0.95 0.04 0.00 0.84 0.00 0.00 57.88 57.77 2qbk h LEU 114 Cb 0.68 -0.13 -0.06 0.00 0.37 0.00 0.00 40.66 41.52 2qbk h LEU 114 CO -0.08 1.37 -0.31 1.23 -0.34 0.00 0.00 178.44 180.31 2qbk h GLY 115 N -0.42 -1.60 0.70 3.75 0.00 -1.63 0.31 103.07 104.18 2qbk h GLY 115 Ca -0.14 0.89 0.08 0.00 0.00 0.00 0.00 47.33 48.16 2qbk h GLY 115 CO 0.13 -0.43 0.64 -0.09 0.00 0.00 0.00 176.54 176.78 2qbk h ARG 116 N -0.09 1.08 -0.16 4.80 9.65 -1.45 0.18 114.38 128.39 2qbk h ARG 116 Ca 0.07 -0.07 0.05 0.00 -1.10 0.00 0.00 59.98 58.93 2qbk h ARG 116 Cb 0.26 -0.24 -0.01 0.00 -1.39 0.00 0.00 29.97 28.59 2qbk h ARG 116 CO -0.43 0.72 0.29 0.00 2.80 0.00 0.00 179.97 183.35 2qbk h ALA 117 N 1.48 1.65 0.00 2.80 0.00 -0.40 0.24 119.26 125.04 2qbk h ALA 117 Ca 0.44 -0.01 -0.16 0.00 0.00 0.00 0.00 54.91 55.18 2qbk h ALA 117 Cb 0.24 0.01 -0.03 0.00 0.00 0.00 0.00 17.79 18.01 2qbk h ALA 117 CO -0.19 -0.38 -1.78 -1.33 0.00 0.00 0.00 179.25 175.57 2qbk n MET 118 N -3.39 0.65 -0.10 0.00 2.81 0.56 -4.29 117.12 113.35 2qbk n MET 118 Ca 0.01 0.05 -0.13 0.00 -1.81 0.00 0.00 57.70 55.82 2qbk n MET 118 Cb 0.40 -1.66 -0.04 0.00 -0.71 0.00 0.00 33.22 31.21 2qbk n MET 118 CO 0.00 0.00 0.00 0.35 1.51 0.00 0.00 175.97 177.83 2qbk h PHE 119 N 0.00 0.93 -0.53 2.03 3.04 0.30 -3.05 116.94 119.66 2qbk h PHE 119 Ca -0.21 -0.28 0.15 0.00 3.98 0.00 0.00 57.97 61.62 2qbk h PHE 119 Cb 1.56 -0.20 -0.02 0.00 2.56 0.00 0.00 35.95 39.86 2qbk h PHE 119 CO 0.00 1.05 0.54 0.07 -2.02 0.00 0.00 178.31 177.94 2qbk h ARG 120 N 0.54 0.00 0.43 1.11 0.11 -1.51 -2.12 114.38 112.94 2qbk h ARG 120 Ca 0.05 0.00 -0.02 0.00 0.10 0.00 0.00 59.98 60.11 2qbk h ARG 120 Cb 0.88 0.00 0.00 0.00 1.11 0.00 0.00 29.97 31.97 2qbk h ARG 120 CO 0.08 0.00 -0.21 0.87 0.10 0.00 0.00 179.97 180.81 2qbk h LYS 121 N 0.00 -0.56 -6.54 0.08 1.57 -1.76 -3.43 116.57 105.93 2qbk h LYS 121 Ca 0.25 0.04 -0.59 0.00 -1.87 0.00 0.00 60.65 58.48 2qbk h LYS 121 Cb 1.32 0.13 0.08 0.00 0.08 0.00 0.00 32.23 33.84 2qbk h LYS 121 CO -0.00 -0.37 0.63 -0.11 -0.57 0.00 0.00 179.45 179.02 2qbk n LEU 122 N -3.76 2.95 0.00 2.94 0.00 -0.80 -4.87 117.00 113.46 2qbk n LEU 122 Ca -0.07 1.13 0.00 0.00 0.00 0.00 0.00 56.01 57.07 2qbk n LEU 122 Cb 0.23 -1.40 0.00 0.00 0.00 0.00 0.00 43.42 42.24 2qbk n LEU 122 CO 0.17 -0.52 0.00 0.29 0.00 0.00 0.00 177.39 177.34 2qbk n LYS 123 N 2.34 3.49 0.00 1.96 4.01 -1.24 -4.98 118.16 123.74 2qbk n LYS 123 Ca 0.13 0.00 0.00 0.00 -0.51 0.00 0.00 58.31 57.93 2qbk n LYS 123 Cb 0.30 0.00 0.00 0.00 -0.51 0.00 0.00 35.03 34.82 2qbk n LYS 123 CO 0.00 0.00 0.00 1.33 -1.11 0.00 0.00 177.40 177.62 2qbk n VAL 124 N 0.00 0.00 -0.28 -0.18 0.24 -1.25 -3.66 118.33 113.20 2qbk n VAL 124 Ca 0.00 0.00 0.03 0.00 -2.04 0.00 0.00 64.34 62.33 2qbk n VAL 124 Cb 0.00 0.00 -0.01 0.00 -1.47 0.00 0.00 33.84 32.36 2qbk n VAL 124 CO 0.00 0.00 0.00 -1.22 -2.14 0.00 0.00 176.83 173.47 2qbk n TYR 125 N -1.27 -0.72 -0.02 6.34 4.01 -1.26 -3.04 117.16 121.20 2qbk n TYR 125 Ca 0.00 0.38 -0.09 0.00 -0.16 0.00 0.00 57.90 58.03 2qbk n TYR 125 Cb 0.00 -0.66 -0.07 0.00 -0.31 0.00 0.00 39.34 38.30 2qbk n TYR 125 CO 0.00 0.00 0.00 0.00 -0.46 0.00 0.00 176.86 176.40 2qbk h ALA 126 N -0.27 -0.08 0.00 -0.72 0.00 -1.78 -3.42 119.26 112.99 2qbk h ALA 126 Ca -0.02 -0.26 0.00 0.00 0.00 0.00 0.00 54.91 54.63 2qbk h ALA 126 Cb 0.26 0.03 0.00 0.00 0.00 0.00 0.00 17.79 18.08 2qbk h ALA 126 CO 0.01 -0.12 0.00 0.41 0.00 0.00 0.00 179.25 179.56 2qbk n GLY 127 N 1.27 1.01 2.46 0.00 0.00 -1.25 -4.06 105.19 104.63 2qbk n GLY 127 Ca -0.06 0.53 -0.11 0.00 0.00 0.00 0.00 46.02 46.38 2qbk n GLY 127 CO 0.00 0.00 0.00 0.70 0.00 0.00 0.00 173.32 174.02 2qbk n ASN 128 N 0.00 -3.51 -3.07 1.61 3.02 -1.26 -4.82 115.26 107.22 2qbk n ASN 128 Ca 0.00 -0.29 0.05 0.00 -0.03 0.00 0.00 54.58 54.31 2qbk n ASN 128 Cb 0.00 -2.84 0.00 0.00 -0.61 0.00 0.00 39.78 36.33 2qbk n ASN 128 CO 0.00 0.00 0.00 -1.83 -2.62 0.00 0.00 177.26 172.81 2qbk s GLU 129 N -5.35 0.17 -0.12 3.52 4.04 -1.26 -5.11 118.70 114.59 2qbk s GLU 129 Ca 0.20 0.10 0.01 0.00 0.04 0.00 0.00 54.97 55.32 2qbk s GLU 129 Cb -0.09 0.06 -0.01 0.00 0.02 0.00 0.00 34.13 34.11 2qbk s GLU 129 CO 0.37 -0.30 -0.17 -3.38 -1.84 0.00 0.00 175.26 169.95 2qbk s HIS 130 N 2.72 2.72 -0.06 4.83 -3.43 -1.26 -4.71 115.29 116.10 2qbk s HIS 130 Ca 0.24 -0.83 0.00 0.00 -0.80 0.00 0.00 55.06 53.68 2qbk s HIS 130 Cb -0.01 -1.80 0.07 0.00 -1.43 0.00 0.00 32.58 29.41 2qbk s HIS 130 CO -0.21 -0.31 1.32 0.09 -2.00 0.00 0.00 174.74 173.62 2qbk n ASN 131 N 3.57 3.68 -0.37 7.38 3.02 -1.26 -3.73 115.26 127.55 2qbk n ASN 131 Ca -0.19 -2.28 0.04 0.00 -0.03 0.00 0.00 54.58 52.13 2qbk n ASN 131 Cb 0.53 -0.67 0.11 0.00 -0.61 0.00 0.00 39.78 39.13 2qbk n ASN 131 CO 0.00 0.00 0.00 1.41 -2.62 0.00 0.00 177.26 176.05 2qbk n HIS 132 N 0.52 0.30 -0.42 3.10 8.25 -1.26 -4.74 115.22 120.97 2qbk n HIS 132 Ca 0.07 -0.59 0.34 0.00 -0.26 0.00 0.00 57.72 57.28 2qbk n HIS 132 Cb 0.61 -0.08 0.62 0.00 1.12 0.00 0.00 29.99 32.26 2qbk n HIS 132 CO 0.00 0.00 0.00 0.00 0.64 0.00 0.00 176.34 176.98 2qbk h ALA 133 N 1.03 2.59 0.00 -1.41 0.00 -2.03 0.21 119.26 119.66 2qbk h ALA 133 Ca 0.00 0.13 0.00 0.00 0.00 0.00 0.00 54.91 55.04 2qbk h ALA 133 Cb 0.75 0.19 0.00 0.00 0.00 0.00 0.00 17.79 18.73 2qbk h ALA 133 CO 0.02 -1.21 0.05 0.00 0.00 0.00 0.00 179.25 178.12 2qbk n ALA 134 N -2.48 0.93 0.55 0.00 0.00 -1.26 0.06 120.51 118.30 2qbk n ALA 134 Ca 0.36 0.00 0.05 0.00 0.00 0.00 0.00 53.44 53.85 2qbk n ALA 134 Cb 1.33 -0.71 -0.06 0.00 0.00 0.00 0.00 19.45 20.01 2qbk n ALA 134 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 177.50 178.54 2qbk n GLN 135 N -1.04 3.15 -3.71 0.00 3.00 0.75 -5.04 117.38 114.50 2qbk n GLN 135 Ca 0.00 -0.02 -0.33 0.00 -0.01 0.00 0.00 57.00 56.65 2qbk n GLN 135 Cb 0.05 -1.05 0.04 0.00 0.00 0.00 0.00 30.24 29.29 2qbk n GLN 135 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 177.06 178.10 2qbk n GLN 136 N -1.25 -1.13 -2.47 -1.09 6.02 0.11 -4.91 117.38 112.66 2qbk n GLN 136 Ca 0.02 0.44 -0.41 0.00 -0.01 0.00 0.00 57.00 57.04 2qbk n GLN 136 Cb 0.18 -3.99 -0.04 0.00 1.02 0.00 0.00 30.24 27.41 2qbk n GLN 136 CO 0.00 0.00 0.00 -2.14 -1.01 0.00 0.00 177.06 173.91 2qbk s PRO 137 N -6.06 4.58 -0.18 -1.09 0.02 -1.26 -4.96 135.00 126.05 2qbk s PRO 137 Ca 0.47 1.79 -0.26 0.00 0.02 0.00 0.00 61.00 63.02 2qbk s PRO 137 Cb -0.18 -3.24 -0.01 0.00 0.02 0.00 0.00 34.50 31.10 2qbk s PRO 137 CO 0.87 0.08 0.88 -0.65 -0.33 0.00 0.00 177.00 177.85 2qbk s GLN 138 N -0.71 4.28 0.90 5.54 -0.21 -1.17 -4.61 119.66 123.68 2qbk s GLN 138 Ca 0.48 1.08 -0.16 0.00 0.02 0.00 0.00 55.36 56.79 2qbk s GLN 138 Cb -0.31 -3.59 -0.09 0.00 1.00 0.00 0.00 33.01 30.02 2qbk s GLN 138 CO 0.37 -0.40 -0.26 1.33 -2.12 0.00 0.00 175.29 174.21 2qbk n VAL 139 N 4.89 0.21 -4.29 1.09 0.24 -1.26 -3.52 118.33 115.68 2qbk n VAL 139 Ca 0.06 -0.41 -0.18 0.00 -2.04 0.00 0.00 64.34 61.77 2qbk n VAL 139 Cb 0.48 -0.25 -0.13 0.00 -1.47 0.00 0.00 33.84 32.47 2qbk n VAL 139 CO 0.00 0.00 0.00 -0.22 -2.14 0.00 0.00 176.83 174.47 2qbk s LEU 140 N 4.37 2.15 -0.84 1.34 0.20 -0.77 -4.77 118.68 120.36 2qbk s LEU 140 Ca 0.49 -0.40 -0.25 0.00 0.69 0.00 0.00 54.13 54.67 2qbk s LEU 140 Cb -0.24 -0.48 0.05 0.00 -0.43 0.00 0.00 46.19 45.08 2qbk s LEU 140 CO 0.74 0.01 1.30 -1.81 -0.29 0.00 0.00 176.35 176.30 2qbk s ASP 141 N -0.99 6.31 0.00 3.68 -0.00 -1.26 -4.81 116.67 119.60 2qbk s ASP 141 Ca -0.00 -0.96 0.00 0.00 -0.00 0.00 0.00 52.55 51.59 2qbk s ASP 141 Cb -0.07 -2.54 0.00 0.00 -0.00 0.00 0.00 42.92 40.31 2qbk s ASP 141 CO 0.01 -1.63 0.00 -0.38 -0.00 0.00 0.00 175.17 173.16