#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2qoz n LYS 2 N 0.00 1.36 -2.80 2.12 0.00 -1.26 -4.97 118.16 112.61 2qoz n LYS 2 Ca 0.00 0.48 -0.19 0.00 -0.00 0.00 0.00 58.31 58.60 2qoz n LYS 2 Cb 0.00 -1.99 0.02 0.00 -0.00 0.00 0.00 35.03 33.07 2qoz n LYS 2 CO 0.00 0.00 0.00 0.95 0.00 0.00 0.00 177.40 178.35 2qoz s THR 3 N -0.33 2.81 1.06 0.58 -4.23 -1.26 -5.09 115.64 109.19 2qoz s THR 3 Ca 0.69 -0.81 -0.22 0.00 -1.18 0.00 0.00 61.69 60.17 2qoz s THR 3 Cb -0.78 -3.00 -0.01 0.00 1.34 0.00 0.00 72.50 70.04 2qoz s THR 3 CO 0.53 0.00 -0.61 0.33 -0.54 0.00 0.00 174.62 174.33 2qoz n PHE 4 N -2.12 -1.41 0.00 3.99 -0.00 -1.26 -5.03 117.46 111.63 2qoz n PHE 4 Ca 0.08 0.36 0.00 0.00 -0.00 0.00 0.00 57.45 57.89 2qoz n PHE 4 Cb 0.59 -1.47 0.00 0.00 -0.00 0.00 0.00 39.48 38.60 2qoz n PHE 4 CO 0.00 0.00 0.00 -2.37 -0.00 0.00 0.00 176.76 174.39 2qoz n THR 5 N -4.04 0.00 -0.93 -2.13 5.66 -1.25 -4.91 114.28 106.68 2qoz n THR 5 Ca -0.00 0.00 -0.36 0.00 -3.05 0.00 0.00 64.05 60.63 2qoz n THR 5 Cb 0.65 0.00 -0.05 0.00 -1.55 0.00 0.00 70.33 69.38 2qoz n THR 5 CO 0.00 0.00 0.00 0.00 -3.05 0.00 0.00 175.07 172.02 2qoz n ALA 6 N 0.00 -1.79 -2.39 1.79 0.00 -1.09 -4.88 120.51 112.16 2qoz n ALA 6 Ca 0.00 0.33 -0.40 0.00 0.00 0.00 0.00 53.44 53.37 2qoz n ALA 6 Cb 0.00 -1.06 -0.05 0.00 0.00 0.00 0.00 19.45 18.33 2qoz n ALA 6 CO 0.00 0.00 0.00 0.15 0.00 0.00 0.00 177.50 177.65 2qoz s LYS 7 N 0.64 4.46 0.07 0.00 -0.14 -1.26 -4.89 119.74 118.62 2qoz s LYS 7 Ca 0.56 1.01 0.03 0.00 -1.36 0.00 0.00 55.97 56.21 2qoz s LYS 7 Cb -0.79 -3.35 0.16 0.00 -1.68 0.00 0.00 37.83 32.17 2qoz s LYS 7 CO 0.39 0.32 0.92 -2.30 -0.76 0.00 0.00 175.35 173.92 2qoz n PRO 8 N 2.71 0.02 -0.10 -1.68 -0.02 -1.26 -1.43 135.00 133.23 2qoz n PRO 8 Ca -0.04 0.37 -0.21 0.00 -2.02 0.00 0.00 63.50 61.61 2qoz n PRO 8 Cb 0.50 -1.77 -0.11 0.00 -0.02 0.00 0.00 33.50 32.10 2qoz n PRO 8 CO 0.00 0.00 0.00 0.39 1.98 0.00 0.00 175.50 177.87 2qoz n GLU 9 N -1.47 0.56 -2.19 -0.52 4.71 -1.26 -4.54 120.64 115.92 2qoz n GLU 9 Ca -0.00 0.56 -0.42 0.00 -0.01 0.00 0.00 57.16 57.29 2qoz n GLU 9 Cb 0.21 -1.73 0.00 0.00 -1.01 0.00 0.00 31.44 28.91 2qoz n GLU 9 CO 0.00 0.00 0.00 0.25 0.09 0.00 0.00 177.13 177.47 2qoz n THR 10 N -4.44 4.06 -4.84 2.62 -2.24 -0.52 -4.93 114.28 103.99 2qoz n THR 10 Ca -0.31 -3.99 -0.25 0.00 -2.27 0.00 0.00 64.05 57.23 2qoz n THR 10 Cb 0.65 -2.44 -0.15 0.00 -2.10 0.00 0.00 70.33 66.29 2qoz n THR 10 CO 0.00 0.00 0.00 -0.69 -0.57 0.00 0.00 175.07 173.81 2qoz s VAL 11 N 1.39 1.49 -0.14 2.28 1.01 -1.26 -4.54 120.40 120.64 2qoz s VAL 11 Ca 0.42 -0.87 -0.11 0.00 0.00 0.00 0.00 61.98 61.42 2qoz s VAL 11 Cb 0.10 -1.25 -0.09 0.00 0.00 0.00 0.00 36.38 35.14 2qoz s VAL 11 CO -0.02 0.37 0.11 0.07 0.00 0.00 0.00 175.10 175.63 2qoz h LYS 12 N 5.52 0.00 0.00 2.72 -0.00 -1.92 -3.48 116.57 119.41 2qoz h LYS 12 Ca -0.38 0.00 0.00 0.00 -0.00 0.00 0.00 60.65 60.27 2qoz h LYS 12 Cb 1.15 0.00 0.00 0.00 -0.00 0.00 0.00 32.23 33.38 2qoz h LYS 12 CO 0.47 0.34 0.00 0.54 -0.00 0.00 0.00 179.45 180.80 2qoz n ARG 13 N -4.64 0.00 -1.00 0.07 5.12 -1.26 -4.93 116.66 110.02 2qoz n ARG 13 Ca -0.09 0.00 0.00 0.00 -1.93 0.00 0.00 57.85 55.83 2qoz n ARG 13 Cb 0.28 0.00 0.00 0.00 -1.16 0.00 0.00 32.46 31.58 2qoz n ARG 13 CO 0.00 0.00 0.00 -0.25 -1.93 0.00 0.00 177.63 175.45 2qoz n ASP 14 N 4.04 -5.65 -4.84 0.55 10.43 -1.26 -3.65 116.55 116.17 2qoz n ASP 14 Ca 0.00 0.91 -0.24 0.00 2.57 0.00 0.00 54.79 58.03 2qoz n ASP 14 Cb 0.00 -2.71 -0.04 0.00 1.84 0.00 0.00 41.12 40.20 2qoz n ASP 14 CO 0.00 0.00 0.00 0.26 -1.07 0.00 0.00 177.20 176.39 2qoz s TRP 15 N -3.53 3.20 0.09 1.24 0.52 -1.26 0.78 118.94 119.99 2qoz s TRP 15 Ca 0.00 -0.04 -0.19 0.00 0.02 0.00 0.00 56.10 55.89 2qoz s TRP 15 Cb 0.00 -1.49 0.04 0.00 -1.15 0.00 0.00 33.47 30.87 2qoz s TRP 15 CO 0.00 0.51 0.45 0.71 0.02 0.00 0.00 176.95 178.64 2qoz s TYR 16 N -1.92 -0.30 -0.24 -1.98 1.51 0.21 -3.63 117.35 110.99 2qoz s TYR 16 Ca 0.32 0.14 -0.02 0.00 -1.01 0.00 0.00 57.07 56.51 2qoz s TYR 16 Cb -0.09 0.30 0.08 0.00 -0.11 0.00 0.00 41.96 42.13 2qoz s TYR 16 CO 0.25 -0.67 0.05 0.08 -1.11 0.00 0.00 175.55 174.15 2qoz s VAL 17 N -3.19 0.71 0.20 0.71 1.01 -1.10 -1.54 120.40 117.20 2qoz s VAL 17 Ca -0.01 -0.91 0.06 0.00 0.00 0.00 0.00 61.98 61.11 2qoz s VAL 17 Cb 0.00 -1.32 -0.04 0.00 0.00 0.00 0.00 36.38 35.03 2qoz s VAL 17 CO -0.08 -0.38 0.18 0.54 0.00 0.00 0.00 175.10 175.36 2qoz s VAL 18 N 1.75 4.57 -0.21 2.92 0.11 0.86 -2.82 120.40 127.58 2qoz s VAL 18 Ca 0.03 -1.17 -0.00 0.00 -2.93 0.00 0.00 61.98 57.90 2qoz s VAL 18 Cb -0.17 -3.39 0.02 0.00 -1.53 0.00 0.00 36.38 31.31 2qoz s VAL 18 CO -0.15 -0.21 -0.14 -0.62 -3.33 0.00 0.00 175.10 170.65 2qoz s ASP 19 N -3.44 3.70 -1.07 3.54 3.68 -1.26 -1.48 116.67 120.33 2qoz s ASP 19 Ca 0.32 -0.74 -0.11 0.00 2.13 0.00 0.00 52.55 54.15 2qoz s ASP 19 Cb -0.09 -1.56 0.24 0.00 -1.45 0.00 0.00 42.92 40.05 2qoz s ASP 19 CO 0.25 -0.05 1.12 0.00 0.13 0.00 0.00 175.17 176.61 2qoz s ALA 20 N 1.30 4.41 0.00 3.66 0.00 -1.26 -4.81 121.76 125.06 2qoz s ALA 20 Ca 0.03 -3.60 0.00 0.00 0.00 0.00 0.00 51.96 48.38 2qoz s ALA 20 Cb -0.15 -3.69 0.00 0.00 0.00 0.00 0.00 23.12 19.28 2qoz s ALA 20 CO -0.09 -2.37 0.00 2.41 0.00 0.00 0.00 175.76 175.71 2qoz n THR 21 N 3.44 0.00 0.16 0.00 -1.04 -1.26 -1.46 114.28 114.13 2qoz n THR 21 Ca 0.25 0.00 0.05 0.00 -2.04 0.00 0.00 64.05 62.30 2qoz n THR 21 Cb 0.42 -0.13 0.23 0.00 -1.82 0.00 0.00 70.33 69.03 2qoz n THR 21 CO 0.00 0.00 0.00 0.61 -0.64 0.00 0.00 175.07 175.04 2qoz n GLY 22 N 4.39 -0.74 3.74 3.41 0.00 -1.26 -3.27 105.19 111.47 2qoz n GLY 22 Ca 0.00 0.04 -0.41 0.00 0.00 0.00 0.00 46.02 45.65 2qoz n GLY 22 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 2qoz n LYS 23 N -1.73 2.30 -0.12 1.61 4.76 -1.26 -4.61 118.16 119.11 2qoz n LYS 23 Ca 0.01 0.81 0.02 0.00 -2.87 0.00 0.00 58.31 56.28 2qoz n LYS 23 Cb 0.06 -2.53 0.07 0.00 -1.84 0.00 0.00 35.03 30.80 2qoz n LYS 23 CO 0.00 0.00 0.00 0.25 -1.37 0.00 0.00 177.40 176.28 2qoz n THR 24 N 0.13 0.36 -4.97 -0.18 -2.24 -1.26 -0.88 114.28 105.24 2qoz n THR 24 Ca 0.04 -0.24 0.00 0.00 -2.27 0.00 0.00 64.05 61.58 2qoz n THR 24 Cb 0.39 -0.14 0.00 0.00 -2.10 0.00 0.00 70.33 68.48 2qoz n THR 24 CO 0.00 0.00 0.00 -0.11 -0.57 0.00 0.00 175.07 174.39 2qoz n LEU 25 N 0.02 0.00 0.00 3.22 -0.00 -1.25 -4.29 117.00 114.70 2qoz n LEU 25 Ca 0.05 0.00 0.00 0.00 -0.00 0.00 0.00 56.01 56.06 2qoz n LEU 25 Cb 0.26 0.00 0.00 0.00 -0.00 0.00 0.00 43.42 43.68 2qoz n LEU 25 CO 0.05 -1.02 0.00 0.61 -0.00 0.00 0.00 177.39 177.03 2qoz n GLY 26 N 0.00 0.32 0.33 -3.96 0.00 -1.26 -1.81 105.19 98.81 2qoz n GLY 26 Ca 0.00 0.39 0.17 0.00 0.00 0.00 0.00 46.02 46.58 2qoz n GLY 26 CO 0.00 0.00 0.00 3.21 0.00 0.00 0.00 173.32 176.53 2qoz h ARG 27 N 0.00 0.04 0.43 1.61 3.08 -2.00 1.14 114.38 118.69 2qoz h ARG 27 Ca 0.00 -0.00 -0.01 0.00 0.07 0.00 0.00 59.98 60.04 2qoz h ARG 27 Cb 0.00 -0.01 -0.02 0.00 0.08 0.00 0.00 29.97 30.02 2qoz h ARG 27 CO 0.00 0.03 -0.44 1.25 -1.07 0.00 0.00 179.97 179.73 2qoz h LEU 28 N 0.04 -1.21 -0.66 3.04 5.85 -1.69 -2.31 115.31 118.37 2qoz h LEU 28 Ca 0.63 0.10 0.10 0.00 0.84 0.00 0.00 57.88 59.56 2qoz h LEU 28 Cb 1.38 0.40 -0.12 0.00 0.37 0.00 0.00 40.66 42.70 2qoz h LEU 28 CO -0.85 -0.60 -0.39 0.00 -0.34 0.00 0.00 178.44 176.26 2qoz h ALA 29 N -0.60 -0.15 -0.51 1.25 0.00 0.10 0.42 119.26 119.78 2qoz h ALA 29 Ca -0.04 0.16 0.09 0.00 0.00 0.00 0.00 54.91 55.11 2qoz h ALA 29 Cb 0.79 0.91 -0.10 0.00 0.00 0.00 0.00 17.79 19.39 2qoz h ALA 29 CO -0.07 -0.74 -0.39 1.79 0.00 0.00 0.00 179.25 179.84 2qoz h THR 30 N -0.16 0.14 -0.47 0.00 1.35 -0.59 1.25 112.91 114.43 2qoz h THR 30 Ca 0.23 0.00 0.03 0.00 -0.55 0.00 0.00 66.41 66.11 2qoz h THR 30 Cb 0.56 0.14 -0.03 0.00 -1.73 0.00 0.00 68.15 67.08 2qoz h THR 30 CO -0.74 0.00 0.27 -0.08 -0.25 0.00 0.00 175.52 174.72 2qoz h GLU 31 N -0.24 0.52 0.00 4.72 4.57 -0.51 0.40 114.58 124.04 2qoz h GLU 31 Ca 0.18 -0.03 0.00 0.00 -1.18 0.00 0.00 59.36 58.33 2qoz h GLU 31 Cb 0.56 -0.12 0.00 0.00 -0.16 0.00 0.00 28.75 29.04 2qoz h GLU 31 CO -0.63 0.34 0.00 1.28 -1.18 0.00 0.00 179.01 178.82 2qoz n LEU 32 N -4.84 0.00 -0.32 1.64 4.77 0.13 -1.73 117.00 116.64 2qoz n LEU 32 Ca 0.03 0.94 0.19 0.00 -0.03 0.00 0.00 56.01 57.14 2qoz n LEU 32 Cb 0.08 -0.44 0.37 0.00 -2.33 0.00 0.00 43.42 41.09 2qoz n LEU 32 CO 0.32 -0.44 0.91 0.00 -1.33 0.00 0.00 177.39 176.85 2qoz h ALA 33 N -1.80 1.46 -0.27 -1.18 0.00 0.15 0.56 119.26 118.19 2qoz h ALA 33 Ca 0.00 0.29 0.06 0.00 0.00 0.00 0.00 54.91 55.26 2qoz h ALA 33 Cb 0.00 0.44 -0.08 0.00 0.00 0.00 0.00 17.79 18.15 2qoz h ALA 33 CO 0.00 -0.63 -0.32 -0.09 0.00 0.00 0.00 179.25 178.21 2qoz h ARG 34 N 0.07 -0.31 -1.00 0.00 1.12 0.17 0.30 114.38 114.74 2qoz h ARG 34 Ca 0.65 0.02 0.14 0.00 -1.11 0.00 0.00 59.98 59.68 2qoz h ARG 34 Cb 1.45 0.07 -0.09 0.00 -0.01 0.00 0.00 29.97 31.39 2qoz h ARG 34 CO -0.80 -0.20 0.62 0.00 -3.11 0.00 0.00 179.97 176.48 2qoz h ARG 35 N -0.32 0.90 -0.97 0.20 -0.00 0.97 0.52 114.38 115.68 2qoz h ARG 35 Ca 0.13 -0.05 0.00 0.00 -0.50 0.00 0.00 59.98 59.56 2qoz h ARG 35 Cb 0.54 -0.20 0.00 0.00 0.00 0.00 0.00 29.97 30.30 2qoz h ARG 35 CO -0.45 0.59 0.00 1.28 0.00 0.00 0.00 179.97 181.40 2qoz n LEU 36 N -4.64 0.90 -0.11 3.04 7.99 0.11 -1.03 117.00 123.27 2qoz n LEU 36 Ca 0.20 -0.45 0.00 0.00 -0.01 0.00 0.00 56.01 55.74 2qoz n LEU 36 Cb 0.41 -0.23 0.00 0.00 -0.11 0.00 0.00 43.42 43.49 2qoz n LEU 36 CO 0.26 0.17 0.09 -1.14 -1.51 0.00 0.00 177.39 175.26 2qoz n ARG 37 N 0.50 0.00 -1.70 3.23 0.63 0.16 -4.56 116.66 114.92 2qoz n ARG 37 Ca 0.00 -0.10 -0.07 0.00 -0.92 0.00 0.00 57.85 56.76 2qoz n ARG 37 Cb 0.17 -0.08 -0.02 0.00 0.45 0.00 0.00 32.46 32.98 2qoz n ARG 37 CO 0.00 0.00 0.00 0.41 -2.51 0.00 0.00 177.63 175.53 2qoz n GLY 38 N 0.00 0.20 0.50 5.14 0.00 -0.65 -4.48 105.19 105.90 2qoz n GLY 38 Ca 0.00 0.00 0.31 0.00 0.00 0.00 0.00 46.02 46.33 2qoz n GLY 38 CO 0.00 0.00 0.00 1.70 0.00 0.00 0.00 173.32 175.02 2qoz h LYS 39 N 0.00 0.00 0.16 1.61 1.63 -1.82 0.09 116.57 118.25 2qoz h LYS 39 Ca -0.15 0.00 -0.32 0.00 -0.85 0.00 0.00 60.65 59.33 2qoz h LYS 39 Cb 0.71 0.00 0.01 0.00 -0.60 0.00 0.00 32.23 32.35 2qoz h LYS 39 CO 0.20 0.00 -1.57 1.12 -3.45 0.00 0.00 179.45 175.75 2qoz h HIS 40 N 0.00 0.63 0.00 1.91 2.07 -1.85 -3.44 115.15 114.47 2qoz h HIS 40 Ca 0.48 -0.46 0.00 0.00 -2.85 0.00 0.00 60.37 57.54 2qoz h HIS 40 Cb 1.99 -0.03 0.00 0.00 2.57 0.00 0.00 27.41 31.94 2qoz h HIS 40 CO 0.00 1.50 0.00 1.63 -3.07 0.00 0.00 177.93 177.99 2qoz n LYS 41 N -3.55 2.37 -2.54 5.12 5.02 0.02 -4.82 118.16 119.79 2qoz n LYS 41 Ca -0.19 0.00 -0.41 0.00 -2.02 0.00 0.00 58.31 55.69 2qoz n LYS 41 Cb 1.06 0.00 0.01 0.00 -0.02 0.00 0.00 35.03 36.09 2qoz n LYS 41 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 2qoz n ALA 42 N -3.00 6.08 0.00 7.82 0.00 -1.26 -4.81 120.51 125.34 2qoz n ALA 42 Ca 0.00 -4.51 0.00 0.00 0.00 0.00 0.00 53.44 48.93 2qoz n ALA 42 Cb 0.00 -2.37 0.00 0.00 0.00 0.00 0.00 19.45 17.08 2qoz n ALA 42 CO 0.00 0.00 0.00 -1.91 0.00 0.00 0.00 177.50 175.59 2qoz n GLU 43 N 0.68 0.00 -1.35 0.00 0.00 -1.23 -4.55 120.64 114.18 2qoz n GLU 43 Ca 0.47 0.13 -0.10 0.00 0.00 0.00 0.00 57.16 57.66 2qoz n GLU 43 Cb 0.27 -1.60 -0.09 0.00 0.00 0.00 0.00 31.44 30.03 2qoz n GLU 43 CO 0.00 0.00 0.00 0.98 0.00 0.00 0.00 177.13 178.11 2qoz n TYR 44 N -1.00 0.46 0.00 4.31 -0.00 -1.26 -3.00 117.16 116.67 2qoz n TYR 44 Ca 0.00 -0.05 0.00 0.00 -0.00 0.00 0.00 57.90 57.85 2qoz n TYR 44 Cb 0.10 -1.50 0.00 0.00 -0.00 0.00 0.00 39.34 37.94 2qoz n TYR 44 CO 0.00 0.00 0.00 -2.37 -0.00 0.00 0.00 176.86 174.49 2qoz n THR 45 N 6.80 0.00 -0.44 2.97 5.66 -1.26 -2.66 114.28 125.36 2qoz n THR 45 Ca 0.31 0.00 0.41 0.00 -3.05 0.00 0.00 64.05 61.72 2qoz n THR 45 Cb 0.42 0.00 0.77 0.00 -1.55 0.00 0.00 70.33 69.97 2qoz n THR 45 CO 0.00 0.00 0.00 -0.65 -3.05 0.00 0.00 175.07 171.37 2qoz h PRO 46 N 0.00 0.00 -0.83 1.09 0.11 -1.95 0.40 132.00 130.82 2qoz h PRO 46 Ca 0.00 0.00 -0.03 0.00 0.11 0.00 0.00 66.00 66.08 2qoz h PRO 46 Cb 0.00 0.00 -0.02 0.00 0.11 0.00 0.00 31.00 31.09 2qoz h PRO 46 CO 0.00 0.00 0.03 -2.39 -0.21 0.00 0.00 178.00 175.43 2qoz n HIS 47 N -4.08 1.00 -3.67 0.65 1.44 -1.26 -4.75 115.22 104.55 2qoz n HIS 47 Ca 0.31 -0.42 -0.15 0.00 -2.01 0.00 0.00 57.72 55.46 2qoz n HIS 47 Cb 1.49 -0.32 -0.14 0.00 0.12 0.00 0.00 29.99 31.13 2qoz n HIS 47 CO 0.00 0.00 0.00 0.08 -2.81 0.00 0.00 176.34 173.61 2qoz s VAL 48 N -1.76 -0.33 -0.44 0.61 1.01 0.14 -5.05 120.40 114.58 2qoz s VAL 48 Ca 0.25 0.31 -0.27 0.00 0.00 0.00 0.00 61.98 62.27 2qoz s VAL 48 Cb 0.19 -0.37 -0.05 0.00 0.00 0.00 0.00 36.38 36.15 2qoz s VAL 48 CO 0.07 0.13 2.18 -0.62 0.00 0.00 0.00 175.10 176.86 2qoz s ASP 49 N 2.31 5.00 0.00 3.32 2.15 -1.26 -4.76 116.67 123.43 2qoz s ASP 49 Ca 0.02 1.12 0.11 0.00 0.43 0.00 0.00 52.55 54.23 2qoz s ASP 49 Cb -0.12 -2.51 0.29 0.00 -0.30 0.00 0.00 42.92 40.28 2qoz s ASP 49 CO -0.07 -2.44 1.21 0.35 -0.17 0.00 0.00 175.17 174.05 2qoz n THR 50 N 7.71 0.87 -0.44 1.71 -2.24 -1.26 -4.98 114.28 115.65 2qoz n THR 50 Ca 0.30 -0.94 -0.29 0.00 -2.27 0.00 0.00 64.05 60.86 2qoz n THR 50 Cb 0.51 0.60 0.26 0.00 -2.10 0.00 0.00 70.33 69.60 2qoz n THR 50 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 2qoz n GLY 51 N 0.57 -2.57 3.64 3.38 0.00 -1.26 -4.10 105.19 104.85 2qoz n GLY 51 Ca 0.11 -1.25 -0.35 0.00 0.00 0.00 0.00 46.02 44.53 2qoz n GLY 51 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 2qoz s ASP 52 N -2.43 5.22 -0.97 1.61 -0.00 -0.19 -4.28 116.67 115.62 2qoz s ASP 52 Ca 0.66 0.09 -0.25 0.00 -0.00 0.00 0.00 52.55 53.05 2qoz s ASP 52 Cb -0.21 -1.60 -0.13 0.00 -0.00 0.00 0.00 42.92 40.97 2qoz s ASP 52 CO 0.63 0.31 2.13 -0.31 -0.00 0.00 0.00 175.17 177.94 2qoz s TYR 53 N -0.48 1.46 -0.14 4.23 2.02 0.23 -4.54 117.35 120.14 2qoz s TYR 53 Ca 0.09 1.49 -0.06 0.00 -0.37 0.00 0.00 57.07 58.21 2qoz s TYR 53 Cb -0.12 -3.65 -0.04 0.00 -0.40 0.00 0.00 41.96 37.75 2qoz s TYR 53 CO 0.02 -1.29 0.08 -1.50 -1.57 0.00 0.00 175.55 171.29 2qoz s ILE 54 N 13.65 4.96 -0.03 2.71 1.10 -1.13 -0.62 121.20 141.84 2qoz s ILE 54 Ca 0.80 0.01 0.06 0.00 -0.51 0.00 0.00 60.65 61.01 2qoz s ILE 54 Cb -0.07 -3.18 -0.01 0.00 0.15 0.00 0.00 42.46 39.35 2qoz s ILE 54 CO 0.10 0.55 -0.20 0.27 -2.11 0.00 0.00 174.94 173.54 2qoz s ILE 55 N -0.38 1.62 0.00 2.00 -4.36 -0.59 -3.30 121.20 116.18 2qoz s ILE 55 Ca 0.10 -0.85 0.00 0.00 -0.26 0.00 0.00 60.65 59.64 2qoz s ILE 55 Cb -0.12 -1.37 0.00 0.00 1.25 0.00 0.00 42.46 42.23 2qoz s ILE 55 CO 0.02 0.46 0.00 0.52 0.24 0.00 0.00 174.94 176.18 2qoz n VAL 56 N 2.84 0.00 0.00 8.37 0.31 -1.25 -0.10 118.33 128.50 2qoz n VAL 56 Ca -0.17 0.00 0.00 0.00 -0.01 0.00 0.00 64.34 64.16 2qoz n VAL 56 Cb 0.53 -1.96 0.00 0.00 -0.91 0.00 0.00 33.84 31.49 2qoz n VAL 56 CO 0.00 0.00 0.00 -0.11 -1.32 0.00 0.00 176.83 175.40 2qoz n LEU 57 N 0.00 0.00 -0.11 7.52 7.94 -0.55 -4.58 117.00 127.21 2qoz n LEU 57 Ca 0.00 0.00 -0.08 0.00 -1.11 0.00 0.00 56.01 54.82 2qoz n LEU 57 Cb 0.00 0.00 -0.06 0.00 0.53 0.00 0.00 43.42 43.89 2qoz n LEU 57 CO 0.00 0.00 0.50 0.78 -1.11 0.00 0.00 177.39 177.56 2qoz h ASN 58 N 0.00 -1.19 0.00 1.96 -0.26 -1.79 -3.15 115.58 111.15 2qoz h ASN 58 Ca 0.00 0.16 0.00 0.00 -0.56 0.00 0.00 56.30 55.90 2qoz h ASN 58 Cb 0.00 0.49 0.00 0.00 -1.06 0.00 0.00 38.32 37.75 2qoz h ASN 58 CO 0.00 -0.23 0.00 0.00 -1.06 0.00 0.00 177.43 176.14 2qoz n ALA 59 N -2.97 0.00 0.00 -0.83 0.00 -0.53 -3.99 120.51 112.18 2qoz n ALA 59 Ca -0.02 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.42 2qoz n ALA 59 Cb 0.20 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.65 2qoz n ALA 59 CO 0.00 0.00 0.00 -0.40 0.00 0.00 0.00 177.50 177.10 2qoz n ASP 60 N 0.92 0.00 -1.43 0.00 5.75 -1.26 0.81 116.55 121.33 2qoz n ASP 60 Ca 0.00 0.34 -0.03 0.00 -0.01 0.00 0.00 54.79 55.09 2qoz n ASP 60 Cb 0.00 -0.34 0.25 0.00 -1.03 0.00 0.00 41.12 40.00 2qoz n ASP 60 CO 0.00 0.00 0.00 0.29 -0.11 0.00 0.00 177.20 177.38 2qoz n LYS 61 N -1.33 2.74 -3.42 0.11 5.02 -1.26 -5.00 118.16 115.02 2qoz n LYS 61 Ca 0.00 -3.04 -0.31 0.00 -2.02 0.00 0.00 58.31 52.94 2qoz n LYS 61 Cb 0.11 -1.98 -0.05 0.00 -0.02 0.00 0.00 35.03 33.09 2qoz n LYS 61 CO 0.00 0.00 0.00 0.54 -0.52 0.00 0.00 177.40 177.42 2qoz s VAL 62 N -3.06 4.99 0.80 -0.18 0.11 0.24 -4.01 120.40 119.29 2qoz s VAL 62 Ca 0.48 0.27 -0.05 0.00 -2.93 0.00 0.00 61.98 59.76 2qoz s VAL 62 Cb 0.41 -3.66 0.16 0.00 -1.53 0.00 0.00 36.38 31.76 2qoz s VAL 62 CO 0.07 -0.14 1.10 0.00 -3.33 0.00 0.00 175.10 172.80 2qoz s ALA 63 N -1.89 3.31 0.00 1.54 0.00 -0.06 -4.99 121.76 119.68 2qoz s ALA 63 Ca 0.45 -1.65 0.00 0.00 0.00 0.00 0.00 51.96 50.76 2qoz s ALA 63 Cb -0.11 -2.18 0.00 0.00 0.00 0.00 0.00 23.12 20.83 2qoz s ALA 63 CO 0.25 -1.78 0.05 1.55 0.00 0.00 0.00 175.76 175.82 2qoz n VAL 64 N -3.12 0.00 -1.25 0.00 3.14 -1.26 -3.92 118.33 111.93 2qoz n VAL 64 Ca 0.16 0.00 0.04 0.00 -2.96 0.00 0.00 64.34 61.58 2qoz n VAL 64 Cb 0.60 0.22 -0.01 0.00 -1.06 0.00 0.00 33.84 33.59 2qoz n VAL 64 CO 0.00 0.00 0.00 1.07 -6.46 0.00 0.00 176.83 171.44 2qoz n THR 65 N 0.00 0.00 -0.61 1.55 5.66 -1.26 -4.59 114.28 115.03 2qoz n THR 65 Ca 0.00 0.00 0.00 0.00 -3.05 0.00 0.00 64.05 61.00 2qoz n THR 65 Cb 0.40 -0.11 0.00 0.00 -1.55 0.00 0.00 70.33 69.07 2qoz n THR 65 CO 0.00 0.00 0.00 0.61 -3.05 0.00 0.00 175.07 172.63 2qoz n GLY 66 N -1.11 1.05 0.85 1.09 0.00 -1.26 -3.21 105.19 102.61 2qoz n GLY 66 Ca 0.00 -0.50 0.08 0.00 0.00 0.00 0.00 46.02 45.60 2qoz n GLY 66 CO 0.00 0.00 0.00 0.70 0.00 0.00 0.00 173.32 174.02 2qoz n ASN 67 N -3.15 3.18 0.13 1.61 3.02 -1.26 -4.56 115.26 114.24 2qoz n ASN 67 Ca 0.00 -1.97 0.18 0.00 -0.03 0.00 0.00 54.58 52.76 2qoz n ASN 67 Cb 0.00 -0.29 0.60 0.00 -0.61 0.00 0.00 39.78 39.48 2qoz n ASN 67 CO 0.00 0.00 0.00 0.11 -2.62 0.00 0.00 177.26 174.75 2qoz h LYS 68 N 2.77 0.00 -0.73 3.52 1.57 -1.76 0.29 116.57 122.23 2qoz h LYS 68 Ca 0.00 0.00 0.12 0.00 -1.87 0.00 0.00 60.65 58.90 2qoz h LYS 68 Cb 0.80 0.00 -0.08 0.00 0.08 0.00 0.00 32.23 33.03 2qoz h LYS 68 CO 0.00 0.00 0.33 -0.09 -0.57 0.00 0.00 179.45 179.12 2qoz h ARG 69 N 0.00 0.52 0.00 3.15 9.65 -1.80 -2.84 114.38 123.05 2qoz h ARG 69 Ca 0.17 -0.03 0.00 0.00 -1.10 0.00 0.00 59.98 59.02 2qoz h ARG 69 Cb 1.46 -0.12 0.00 0.00 -1.39 0.00 0.00 29.97 29.92 2qoz h ARG 69 CO -0.00 0.34 0.00 0.25 2.80 0.00 0.00 179.97 183.36 2qoz n THR 70 N -4.92 0.22 -2.60 0.20 -2.24 0.32 -1.26 114.28 104.00 2qoz n THR 70 Ca 0.13 -0.56 -0.14 0.00 -2.27 0.00 0.00 64.05 61.20 2qoz n THR 70 Cb 0.34 0.96 0.02 0.00 -2.10 0.00 0.00 70.33 69.55 2qoz n THR 70 CO 0.00 0.00 0.00 0.47 -0.57 0.00 0.00 175.07 174.97 2qoz n ASP 71 N -0.11 2.48 0.00 3.42 9.92 0.76 -4.93 116.55 128.09 2qoz n ASP 71 Ca 0.00 -3.00 0.00 0.00 -0.53 0.00 0.00 54.79 51.26 2qoz n ASP 71 Cb 0.08 -0.50 0.00 0.00 -0.64 0.00 0.00 41.12 40.06 2qoz n ASP 71 CO 0.00 0.00 0.00 1.17 0.13 0.00 0.00 177.20 178.50 2qoz n LYS 72 N -0.22 0.00 0.00 -1.24 0.00 -1.08 -4.45 118.16 111.16 2qoz n LYS 72 Ca 0.18 0.00 0.00 0.00 0.00 0.00 0.00 58.31 58.49 2qoz n LYS 72 Cb 0.78 0.00 0.00 0.00 0.00 0.00 0.00 35.03 35.81 2qoz n LYS 72 CO 0.00 0.00 0.00 1.33 0.00 0.00 0.00 177.40 178.73 2qoz n VAL 73 N 0.00 0.00 -2.85 3.15 0.24 -1.26 -4.89 118.33 112.72 2qoz n VAL 73 Ca 0.00 0.00 -0.03 0.00 -2.04 0.00 0.00 64.34 62.27 2qoz n VAL 73 Cb 0.00 0.00 0.00 0.00 -1.47 0.00 0.00 33.84 32.37 2qoz n VAL 73 CO 0.00 0.00 0.00 -1.22 -2.14 0.00 0.00 176.83 173.47 2qoz n TYR 74 N -0.24 -3.30 -3.88 6.34 4.02 -1.25 -3.21 117.16 115.65 2qoz n TYR 74 Ca 0.00 1.43 -0.21 0.00 -0.01 0.00 0.00 57.90 59.11 2qoz n TYR 74 Cb 0.00 -3.51 -0.03 0.00 -0.02 0.00 0.00 39.34 35.77 2qoz n TYR 74 CO 0.00 0.00 0.00 0.71 -1.01 0.00 0.00 176.86 176.56 2qoz s TYR 75 N -1.73 3.04 -0.30 -0.72 2.02 -1.26 -1.97 117.35 116.43 2qoz s TYR 75 Ca 0.07 -0.21 -0.22 0.00 -0.37 0.00 0.00 57.07 56.33 2qoz s TYR 75 Cb -0.02 -1.68 0.20 0.00 -0.40 0.00 0.00 41.96 40.06 2qoz s TYR 75 CO 0.68 0.29 1.39 -3.38 -1.57 0.00 0.00 175.55 172.96 2qoz s HIS 76 N -2.21 -0.06 -0.09 2.71 -3.43 -0.93 -5.01 115.29 106.27 2qoz s HIS 76 Ca 0.38 0.13 -0.01 0.00 -0.80 0.00 0.00 55.06 54.76 2qoz s HIS 76 Cb -0.07 0.35 -0.03 0.00 -1.43 0.00 0.00 32.58 31.40 2qoz s HIS 76 CO 0.27 -0.03 -0.05 -1.58 -2.00 0.00 0.00 174.74 171.35 2qoz s HIS 77 N 0.33 3.00 -0.91 0.38 2.46 -1.26 -1.20 115.29 118.09 2qoz s HIS 77 Ca 0.03 0.00 0.16 0.00 0.47 0.00 0.00 55.06 55.72 2qoz s HIS 77 Cb -0.04 -1.77 0.68 0.00 -0.13 0.00 0.00 32.58 31.32 2qoz s HIS 77 CO -0.14 0.30 1.51 0.25 -2.47 0.00 0.00 174.74 174.19 2qoz n THR 78 N 2.43 0.97 -1.07 0.89 -2.24 -1.26 -4.85 114.28 109.15 2qoz n THR 78 Ca -0.18 0.25 -0.01 0.00 -2.27 0.00 0.00 64.05 61.83 2qoz n THR 78 Cb 0.53 -1.03 -0.01 0.00 -2.10 0.00 0.00 70.33 67.73 2qoz n THR 78 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 2qoz n GLY 79 N -0.00 0.48 0.00 3.38 0.00 -1.26 -5.03 105.19 102.76 2qoz n GLY 79 Ca 0.03 -1.02 0.00 0.00 0.00 0.00 0.00 46.02 45.03 2qoz n GLY 79 CO 0.00 0.00 0.00 1.42 0.00 0.00 0.00 173.32 174.74 2qoz n HIS 80 N -3.00 -0.02 0.00 1.61 8.25 -1.26 -5.07 115.22 115.74 2qoz n HIS 80 Ca -0.01 0.00 0.00 0.00 -0.26 0.00 0.00 57.72 57.45 2qoz n HIS 80 Cb 0.06 0.00 0.00 0.00 1.12 0.00 0.00 29.99 31.17 2qoz n HIS 80 CO 0.00 0.00 0.00 1.51 0.64 0.00 0.00 176.34 178.49 2qoz n ILE 81 N -0.01 0.00 -0.01 1.59 3.06 -1.26 -4.49 119.36 118.24 2qoz n ILE 81 Ca 0.00 0.96 -0.05 0.00 -2.50 0.00 0.00 62.75 61.16 2qoz n ILE 81 Cb 0.00 -1.35 -0.02 0.00 0.54 0.00 0.00 39.64 38.82 2qoz n ILE 81 CO 0.00 0.00 0.00 0.61 -2.50 0.00 0.00 176.55 174.66 2qoz n GLY 82 N -0.94 -0.25 7.00 4.50 0.00 -1.26 -5.00 105.19 109.24 2qoz n GLY 82 Ca 0.00 -0.14 0.00 0.00 0.00 0.00 0.00 46.02 45.88 2qoz n GLY 82 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2qoz n GLY 83 N 2.60 1.18 3.96 -0.02 0.00 -1.26 -4.78 105.19 106.87 2qoz n GLY 83 Ca -0.07 0.69 -0.32 0.00 0.00 0.00 0.00 46.02 46.32 2qoz n GLY 83 CO 0.00 0.00 0.00 4.51 0.00 0.00 0.00 173.32 177.83 2qoz n ILE 84 N 0.00 -1.62 -2.93 -0.61 0.13 -1.26 -4.87 119.36 108.21 2qoz n ILE 84 Ca 0.00 -0.42 -0.32 0.00 -1.10 0.00 0.00 62.75 60.91 2qoz n ILE 84 Cb 0.00 -1.40 -0.05 0.00 -0.84 0.00 0.00 39.64 37.35 2qoz n ILE 84 CO 0.00 0.00 0.00 -0.54 2.80 0.00 0.00 176.55 178.81 2qoz s LYS 85 N -6.72 3.94 0.06 9.51 1.02 -0.34 -4.88 119.74 122.34 2qoz s LYS 85 Ca 0.27 0.68 0.01 0.00 0.02 0.00 0.00 55.97 56.95 2qoz s LYS 85 Cb -0.15 -2.36 -0.03 0.00 -0.52 0.00 0.00 37.83 34.77 2qoz s LYS 85 CO 0.73 0.02 -0.05 1.14 -0.92 0.00 0.00 175.35 176.27 2qoz s GLN 86 N -3.42 0.59 -0.11 1.68 -2.07 -1.26 -2.19 119.66 112.87 2qoz s GLN 86 Ca 0.55 -0.99 -0.05 0.00 -1.82 0.00 0.00 55.36 53.04 2qoz s GLN 86 Cb -0.10 -0.08 0.05 0.00 -1.09 0.00 0.00 33.01 31.79 2qoz s GLN 86 CO 0.23 -0.02 0.26 0.00 -1.32 0.00 0.00 175.29 174.44 2qoz s ALA 87 N -2.58 -0.58 0.66 2.60 0.00 -0.83 -5.04 121.76 115.98 2qoz s ALA 87 Ca -0.01 1.02 -0.11 0.00 0.00 0.00 0.00 51.96 52.85 2qoz s ALA 87 Cb -0.02 -0.73 -0.01 0.00 0.00 0.00 0.00 23.12 22.36 2qoz s ALA 87 CO -0.04 -0.30 1.05 -0.08 0.00 0.00 0.00 175.76 176.40 2qoz s THR 88 N 1.52 4.29 0.12 0.00 -1.32 -1.24 -3.88 115.64 115.12 2qoz s THR 88 Ca -0.07 0.75 -0.23 0.00 -1.21 0.00 0.00 61.69 60.93 2qoz s THR 88 Cb -0.11 -3.58 -0.05 0.00 -1.51 0.00 0.00 72.50 67.25 2qoz s THR 88 CO -0.09 -0.96 1.40 0.33 -2.21 0.00 0.00 174.62 173.09 2qoz n PHE 89 N -2.95 -0.33 -0.27 9.09 -0.00 -1.26 -1.12 117.46 120.62 2qoz n PHE 89 Ca 0.07 0.94 -0.10 0.00 -0.00 0.00 0.00 57.45 58.36 2qoz n PHE 89 Cb 0.54 -0.56 -0.06 0.00 -0.00 0.00 0.00 39.48 39.40 2qoz n PHE 89 CO 0.00 0.00 0.00 1.49 -0.00 0.00 0.00 176.76 178.25 2qoz h GLU 90 N 0.00 -0.17 -0.53 -4.13 4.81 -1.42 0.42 114.58 113.56 2qoz h GLU 90 Ca 0.12 0.01 0.15 0.00 -0.13 0.00 0.00 59.36 59.51 2qoz h GLU 90 Cb 0.31 0.04 -0.02 0.00 0.63 0.00 0.00 28.75 29.71 2qoz h GLU 90 CO -0.71 -0.12 0.40 0.93 -0.73 0.00 0.00 179.01 178.79 2qoz h GLU 91 N -0.18 0.00 0.00 1.92 5.08 -1.42 0.16 114.58 120.14 2qoz h GLU 91 Ca 0.17 0.00 -0.07 0.00 -1.00 0.00 0.00 59.36 58.46 2qoz h GLU 91 Cb 0.53 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 29.77 2qoz h GLU 91 CO -0.77 0.00 -0.34 0.52 -1.00 0.00 0.00 179.01 177.42 2qoz h MET 92 N 0.00 0.00 0.17 2.33 2.86 0.12 -3.12 114.93 117.29 2qoz h MET 92 Ca 0.25 0.00 -0.27 0.00 -2.06 0.00 0.00 59.70 57.62 2qoz h MET 92 Cb 1.06 0.00 0.03 0.00 0.06 0.00 0.00 31.60 32.75 2qoz h MET 92 CO -0.00 0.34 -1.17 0.82 1.06 0.00 0.00 176.91 177.95 2qoz h ILE 93 N 0.00 1.36 0.00 -1.22 5.03 -0.31 -2.93 117.51 119.44 2qoz h ILE 93 Ca -0.00 -2.55 0.00 0.00 -0.12 0.00 0.00 64.86 62.19 2qoz h ILE 93 Cb 0.76 2.98 0.00 0.00 -3.03 0.00 0.00 36.82 37.53 2qoz h ILE 93 CO 0.04 0.75 0.14 0.00 -0.68 0.00 0.00 178.15 178.41 2qoz n ALA 94 N -2.69 0.83 -3.52 1.87 0.00 -1.04 -4.22 120.51 111.74 2qoz n ALA 94 Ca -0.15 0.13 -0.02 0.00 0.00 0.00 0.00 53.44 53.40 2qoz n ALA 94 Cb 0.97 -1.00 -0.05 0.00 0.00 0.00 0.00 19.45 19.37 2qoz n ALA 94 CO 0.00 0.00 0.00 -0.98 0.00 0.00 0.00 177.50 176.52 2qoz s ARG 95 N -3.30 0.51 -0.83 0.00 1.70 -1.21 -5.01 118.95 110.81 2qoz s ARG 95 Ca -0.02 1.22 -0.03 0.00 -0.47 0.00 0.00 55.73 56.44 2qoz s ARG 95 Cb 0.04 0.61 -0.00 0.00 -0.57 0.00 0.00 34.95 35.03 2qoz s ARG 95 CO 0.13 -0.33 0.67 0.54 -1.08 0.00 0.00 175.30 175.22 2qoz n ARG 96 N 5.43 -1.41 0.27 3.89 1.74 -1.25 -4.68 116.66 120.64 2qoz n ARG 96 Ca -0.08 1.03 0.16 0.00 -0.77 0.00 0.00 57.85 58.19 2qoz n ARG 96 Cb 0.50 -3.98 0.73 0.00 -1.02 0.00 0.00 32.46 28.68 2qoz n ARG 96 CO 0.00 0.00 0.00 -1.35 -1.52 0.00 0.00 177.63 174.76 2qoz h PRO 97 N -0.16 0.00 -0.66 5.56 0.11 -1.69 -3.23 132.00 131.93 2qoz h PRO 97 Ca -0.37 0.00 0.14 0.00 0.11 0.00 0.00 66.00 65.88 2qoz h PRO 97 Cb 1.23 0.00 -0.12 0.00 0.11 0.00 0.00 31.00 32.22 2qoz h PRO 97 CO 0.35 0.07 -0.09 0.93 -0.21 0.00 0.00 178.00 179.05 2qoz h GLU 98 N 0.00 0.05 -0.89 1.05 3.07 -1.87 0.44 114.58 116.42 2qoz h GLU 98 Ca -0.00 -0.00 0.20 0.00 -0.50 0.00 0.00 59.36 59.06 2qoz h GLU 98 Cb 0.45 -0.01 -0.06 0.00 -0.84 0.00 0.00 28.75 28.29 2qoz h GLU 98 CO 0.01 0.03 0.59 0.00 -1.40 0.00 0.00 179.01 178.24 2qoz h ARG 99 N 0.05 0.37 -0.33 2.33 3.08 -1.93 0.24 114.38 118.19 2qoz h ARG 99 Ca 0.33 -0.02 0.10 0.00 0.07 0.00 0.00 59.98 60.46 2qoz h ARG 99 Cb 0.54 -0.08 -0.01 0.00 0.08 0.00 0.00 29.97 30.49 2qoz h ARG 99 CO -0.63 0.24 0.47 0.28 -1.07 0.00 0.00 179.97 179.27 2qoz h VAL 100 N 0.38 0.25 0.00 2.04 2.07 -1.12 0.37 116.25 120.23 2qoz h VAL 100 Ca 0.46 0.00 -0.37 0.00 0.82 0.00 0.00 66.70 67.61 2qoz h VAL 100 Cb 1.19 0.60 -0.06 0.00 -1.52 0.00 0.00 31.29 31.50 2qoz h VAL 100 CO -0.16 0.00 -2.34 -0.38 0.02 0.00 0.00 177.57 174.71 2qoz n ILE 101 N -3.44 1.34 -0.05 4.57 2.08 0.75 -3.63 119.36 120.97 2qoz n ILE 101 Ca 0.06 -0.46 -0.08 0.00 0.56 0.00 0.00 62.75 62.82 2qoz n ILE 101 Cb 0.62 -1.47 -0.02 0.00 -0.75 0.00 0.00 39.64 38.03 2qoz n ILE 101 CO 0.00 0.00 0.00 -0.33 0.56 0.00 0.00 176.55 176.78 2qoz h GLU 102 N -0.25 -0.06 -0.00 0.38 5.08 -0.05 0.25 114.58 119.93 2qoz h GLU 102 Ca -0.55 0.00 -0.18 0.00 -1.00 0.00 0.00 59.36 57.64 2qoz h GLU 102 Cb 1.73 0.01 -0.02 0.00 0.50 0.00 0.00 28.75 30.98 2qoz h GLU 102 CO -0.16 -0.04 -0.81 -0.84 -1.00 0.00 0.00 179.01 176.16 2qoz h ILE 103 N -0.06 1.53 0.00 3.13 -0.00 -0.57 0.84 117.51 122.38 2qoz h ILE 103 Ca 0.12 -2.64 -0.03 0.00 -0.00 0.00 0.00 64.86 62.32 2qoz h ILE 103 Cb 0.24 2.44 -0.00 0.00 -0.00 0.00 0.00 36.82 39.49 2qoz h ILE 103 CO -0.27 0.76 -0.13 0.00 -0.00 0.00 0.00 178.15 178.51 2qoz h ALA 104 N 1.12 1.41 0.00 0.16 0.00 -1.43 -1.97 119.26 118.55 2qoz h ALA 104 Ca -0.02 -0.12 -0.21 0.00 0.00 0.00 0.00 54.91 54.56 2qoz h ALA 104 Cb 1.42 -0.02 -0.04 0.00 0.00 0.00 0.00 17.79 19.15 2qoz h ALA 104 CO 0.11 0.16 -2.05 1.33 0.00 0.00 0.00 179.25 178.81 2qoz n VAL 105 N -3.84 0.80 -0.19 0.00 0.24 0.80 -4.11 118.33 112.02 2qoz n VAL 105 Ca -0.02 -0.62 0.00 0.00 -2.04 0.00 0.00 64.34 61.66 2qoz n VAL 105 Cb 0.23 -0.36 0.24 0.00 -1.47 0.00 0.00 33.84 32.48 2qoz n VAL 105 CO 0.00 0.00 0.00 0.50 -2.14 0.00 0.00 176.83 175.19 2qoz h LYS 106 N 0.00 0.94 0.00 7.34 1.63 0.10 0.17 116.57 126.76 2qoz h LYS 106 Ca -0.31 -0.08 -0.04 0.00 -0.85 0.00 0.00 60.65 59.37 2qoz h LYS 106 Cb 1.66 -0.20 -0.01 0.00 -0.60 0.00 0.00 32.23 33.08 2qoz h LYS 106 CO 0.02 0.66 -0.19 0.78 -3.45 0.00 0.00 179.45 177.27 2qoz h GLY 107 N 0.99 0.00 1.77 5.01 0.00 -1.56 -2.74 103.07 106.53 2qoz h GLY 107 Ca 0.25 0.00 -0.15 0.00 0.00 0.00 0.00 47.33 47.43 2qoz h GLY 107 CO -0.05 0.00 -0.65 -0.33 0.00 0.00 0.00 176.54 175.51 2qoz h MET 108 N 0.00 0.23 -6.97 4.80 2.86 -0.87 -3.44 114.93 111.54 2qoz h MET 108 Ca -0.00 -0.17 -0.47 0.00 -2.06 0.00 0.00 59.70 57.00 2qoz h MET 108 Cb 0.81 0.03 -0.00 0.00 0.06 0.00 0.00 31.60 32.50 2qoz h MET 108 CO 0.02 0.80 0.37 -0.51 1.06 0.00 0.00 176.91 178.66 2qoz s LEU 109 N -7.84 4.13 0.61 1.22 1.43 -0.44 -5.02 118.68 112.77 2qoz s LEU 109 Ca -0.04 1.89 -0.01 0.00 -1.03 0.00 0.00 54.13 54.94 2qoz s LEU 109 Cb 0.12 -4.25 0.05 0.00 0.03 0.00 0.00 46.19 42.14 2qoz s LEU 109 CO 0.80 -0.37 0.87 -2.16 0.23 0.00 0.00 176.35 175.72 2qoz s PRO 110 N -2.59 2.34 0.89 1.29 0.04 -1.26 -4.96 135.00 130.75 2qoz s PRO 110 Ca 0.57 -0.66 0.00 0.00 0.04 0.00 0.00 61.00 60.96 2qoz s PRO 110 Cb -0.18 -2.37 0.00 0.00 0.04 0.00 0.00 34.50 31.99 2qoz s PRO 110 CO 0.23 -0.95 0.00 1.63 0.04 0.00 0.00 177.00 177.94 2qoz n LYS 111 N -2.57 0.00 0.06 4.56 5.02 -1.26 -3.55 118.16 120.42 2qoz n LYS 111 Ca 0.09 0.00 0.00 0.00 -2.02 0.00 0.00 58.31 56.38 2qoz n LYS 111 Cb 0.60 0.00 0.00 0.00 -0.02 0.00 0.00 35.03 35.61 2qoz n LYS 111 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 2qoz n GLY 112 N 0.00 -0.09 0.17 0.72 0.00 -1.26 -4.56 105.19 100.18 2qoz n GLY 112 Ca 0.00 0.00 -0.06 0.00 0.00 0.00 0.00 46.02 45.96 2qoz n GLY 112 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 2qoz h PRO 113 N 0.00 -0.36 -0.46 1.61 0.13 -1.98 0.54 132.00 131.48 2qoz h PRO 113 Ca 0.00 0.02 -0.10 0.00 -0.87 0.00 0.00 66.00 65.05 2qoz h PRO 113 Cb 0.18 0.08 -0.02 0.00 0.13 0.00 0.00 31.00 31.38 2qoz h PRO 113 CO 0.00 -0.24 -0.12 1.25 -0.23 0.00 0.00 178.00 178.65 2qoz h LEU 114 N -0.38 0.85 0.66 1.56 5.85 -1.92 -2.29 115.31 119.64 2qoz h LEU 114 Ca -0.03 -0.27 -0.03 0.00 0.84 0.00 0.00 57.88 58.39 2qoz h LEU 114 Cb 0.31 -0.23 0.00 0.00 0.37 0.00 0.00 40.66 41.11 2qoz h LEU 114 CO 0.01 0.98 -0.35 1.23 -0.34 0.00 0.00 178.44 179.97 2qoz h GLY 115 N 0.97 -0.99 2.00 3.75 0.00 -1.59 -0.74 103.07 106.47 2qoz h GLY 115 Ca 0.12 0.38 -0.00 0.00 0.00 0.00 0.00 47.33 47.84 2qoz h GLY 115 CO 0.04 -0.36 -0.00 -0.09 0.00 0.00 0.00 176.54 176.14 2qoz h ARG 116 N -0.93 0.00 0.00 4.80 9.65 0.08 0.30 114.38 128.28 2qoz h ARG 116 Ca -0.09 0.00 0.00 0.00 -1.10 0.00 0.00 59.98 58.79 2qoz h ARG 116 Cb 0.73 0.00 0.00 0.00 -1.39 0.00 0.00 29.97 29.31 2qoz h ARG 116 CO 0.12 0.00 -0.09 0.00 2.80 0.00 0.00 179.97 182.81 2qoz h ALA 117 N 2.00 0.96 0.00 2.80 0.00 -0.70 -3.28 119.26 121.03 2qoz h ALA 117 Ca -0.00 0.00 -0.33 0.00 0.00 0.00 0.00 54.91 54.58 2qoz h ALA 117 Cb 0.02 0.00 -0.06 0.00 0.00 0.00 0.00 17.79 17.74 2qoz h ALA 117 CO 0.00 0.00 -2.10 -1.33 0.00 0.00 0.00 179.25 175.82 2qoz n MET 118 N -3.00 0.67 0.32 0.00 2.81 0.87 -4.13 117.12 114.65 2qoz n MET 118 Ca 0.04 0.11 0.21 0.00 -1.81 0.00 0.00 57.70 56.25 2qoz n MET 118 Cb 0.52 -1.63 1.12 0.00 -0.71 0.00 0.00 33.22 32.52 2qoz n MET 118 CO 0.00 0.00 0.00 0.35 1.51 0.00 0.00 175.97 177.83 2qoz h PHE 119 N 0.00 0.00 -0.13 2.03 3.04 -1.14 -0.08 116.94 120.67 2qoz h PHE 119 Ca -0.43 0.00 0.00 0.00 3.98 0.00 0.00 57.97 61.52 2qoz h PHE 119 Cb 2.12 0.00 0.00 0.00 2.56 0.00 0.00 35.95 40.63 2qoz h PHE 119 CO 0.00 0.00 0.00 2.89 -2.02 0.00 0.00 178.31 179.18 2qoz n ARG 120 N -3.00 1.52 0.00 1.11 1.85 -1.25 -3.34 116.66 113.54 2qoz n ARG 120 Ca -0.03 -0.78 0.12 0.00 -1.00 0.00 0.00 57.85 56.17 2qoz n ARG 120 Cb 0.09 -1.34 0.27 0.00 -1.05 0.00 0.00 32.46 30.42 2qoz n ARG 120 CO 0.00 0.00 0.00 1.63 -0.01 0.00 0.00 177.63 179.25 2qoz n LYS 121 N 0.02 0.97 -4.79 2.89 5.02 -0.04 -4.89 118.16 117.33 2qoz n LYS 121 Ca 0.15 -0.66 -0.29 0.00 -2.02 0.00 0.00 58.31 55.49 2qoz n LYS 121 Cb 0.25 -1.49 -0.14 0.00 -0.02 0.00 0.00 35.03 33.63 2qoz n LYS 121 CO 0.00 0.00 0.00 -1.17 -0.52 0.00 0.00 177.40 175.71 2qoz s LEU 122 N -2.48 2.18 0.00 -0.35 0.20 -1.21 -2.83 118.68 114.19 2qoz s LEU 122 Ca 0.23 -0.59 0.00 0.00 0.69 0.00 0.00 54.13 54.46 2qoz s LEU 122 Cb 0.19 -1.21 0.00 0.00 -0.43 0.00 0.00 46.19 44.74 2qoz s LEU 122 CO 0.53 0.23 0.00 0.29 -0.29 0.00 0.00 176.35 177.11 2qoz n LYS 123 N 1.70 3.72 0.00 1.98 4.01 -1.21 -5.00 118.16 123.36 2qoz n LYS 123 Ca -0.17 0.00 0.00 0.00 -0.51 0.00 0.00 58.31 57.63 2qoz n LYS 123 Cb 0.52 0.00 0.00 0.00 -0.51 0.00 0.00 35.03 35.04 2qoz n LYS 123 CO 0.00 0.00 0.00 1.33 -1.11 0.00 0.00 177.40 177.62 2qoz n VAL 124 N 0.00 0.00 -0.65 -0.18 0.24 -1.26 -3.83 118.33 112.65 2qoz n VAL 124 Ca 0.00 0.00 0.08 0.00 -2.04 0.00 0.00 64.34 62.38 2qoz n VAL 124 Cb 0.00 0.00 -0.03 0.00 -1.47 0.00 0.00 33.84 32.34 2qoz n VAL 124 CO 0.00 0.00 0.00 -1.22 -2.14 0.00 0.00 176.83 173.47 2qoz n TYR 125 N -1.24 -1.70 -0.03 6.34 4.01 -1.26 -3.30 117.16 119.99 2qoz n TYR 125 Ca 0.00 0.89 -0.13 0.00 -0.16 0.00 0.00 57.90 58.50 2qoz n TYR 125 Cb 0.00 -1.54 -0.10 0.00 -0.31 0.00 0.00 39.34 37.39 2qoz n TYR 125 CO 0.00 0.00 0.00 0.00 -0.46 0.00 0.00 176.86 176.40 2qoz h ALA 126 N -0.63 0.03 0.00 -0.72 0.00 -1.82 -3.43 119.26 112.70 2qoz h ALA 126 Ca -0.04 -0.31 0.00 0.00 0.00 0.00 0.00 54.91 54.56 2qoz h ALA 126 Cb 0.61 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.40 2qoz h ALA 126 CO 0.02 -0.14 0.00 0.41 0.00 0.00 0.00 179.25 179.55 2qoz n GLY 127 N 0.48 2.96 2.67 0.00 0.00 -1.19 -4.11 105.19 106.00 2qoz n GLY 127 Ca -0.08 -0.04 -0.13 0.00 0.00 0.00 0.00 46.02 45.77 2qoz n GLY 127 CO 0.00 0.00 0.00 0.70 0.00 0.00 0.00 173.32 174.02 2qoz n ASN 128 N 0.00 -3.04 0.00 1.61 3.02 -1.26 -4.80 115.26 110.79 2qoz n ASN 128 Ca 0.00 -0.38 0.00 0.00 -0.03 0.00 0.00 54.58 54.17 2qoz n ASN 128 Cb 0.00 -3.47 0.00 0.00 -0.61 0.00 0.00 39.78 35.70 2qoz n ASN 128 CO 0.00 0.00 0.00 -1.84 -2.62 0.00 0.00 177.26 172.80 2qoz n GLU 129 N -3.16 0.00 -4.26 3.52 -0.00 -1.26 -5.12 120.64 110.35 2qoz n GLU 129 Ca -0.12 0.00 -0.35 0.00 -0.00 0.00 0.00 57.16 56.69 2qoz n GLU 129 Cb 0.58 0.00 -0.09 0.00 -0.00 0.00 0.00 31.44 31.93 2qoz n GLU 129 CO 0.00 0.00 0.00 -3.38 0.00 0.00 0.00 177.13 173.75 2qoz s HIS 130 N 0.00 3.22 -0.38 -1.84 -3.43 -1.26 -4.82 115.29 106.78 2qoz s HIS 130 Ca 0.00 0.18 0.03 0.00 -0.80 0.00 0.00 55.06 54.46 2qoz s HIS 130 Cb 0.00 -1.86 0.25 0.00 -1.43 0.00 0.00 32.58 29.54 2qoz s HIS 130 CO 0.00 0.42 1.17 0.09 -2.00 0.00 0.00 174.74 174.41 2qoz n ASN 131 N 2.44 3.02 -0.89 7.38 3.02 -1.26 -3.85 115.26 125.12 2qoz n ASN 131 Ca -0.18 -2.46 0.07 0.00 -0.03 0.00 0.00 54.58 51.98 2qoz n ASN 131 Cb 0.53 -0.60 0.22 0.00 -0.61 0.00 0.00 39.78 39.33 2qoz n ASN 131 CO 0.00 0.00 0.00 1.41 -2.62 0.00 0.00 177.26 176.05 2qoz n HIS 132 N 0.04 0.78 -0.33 3.10 8.25 -1.26 -4.70 115.22 121.11 2qoz n HIS 132 Ca 0.16 -0.63 0.26 0.00 -0.26 0.00 0.00 57.72 57.25 2qoz n HIS 132 Cb 0.78 -0.15 0.49 0.00 1.12 0.00 0.00 29.99 32.24 2qoz n HIS 132 CO 0.00 0.00 0.00 0.00 0.64 0.00 0.00 176.34 176.98 2qoz h ALA 133 N 2.35 1.87 -0.32 -1.41 0.00 -2.02 0.37 119.26 120.10 2qoz h ALA 133 Ca 0.00 0.27 0.09 0.00 0.00 0.00 0.00 54.91 55.28 2qoz h ALA 133 Cb 1.07 0.36 -0.01 0.00 0.00 0.00 0.00 17.79 19.21 2qoz h ALA 133 CO 0.10 -0.79 0.74 0.00 0.00 0.00 0.00 179.25 179.30 2qoz h ALA 134 N 1.96 2.06 0.00 0.00 0.00 -1.94 1.65 119.26 122.99 2qoz h ALA 134 Ca 0.76 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 55.66 2qoz h ALA 134 Cb 1.88 0.02 0.00 0.00 0.00 0.00 0.00 17.79 19.70 2qoz h ALA 134 CO -0.77 -0.91 -0.75 1.04 0.00 0.00 0.00 179.25 177.86 2qoz n GLN 135 N -3.04 0.07 -3.91 0.00 3.00 0.13 -5.00 117.38 108.62 2qoz n GLN 135 Ca 0.06 0.00 -0.34 0.00 -0.01 0.00 0.00 57.00 56.71 2qoz n GLN 135 Cb 0.86 -1.52 0.01 0.00 0.00 0.00 0.00 30.24 29.59 2qoz n GLN 135 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 177.06 178.10 2qoz n GLN 136 N -1.61 -0.58 -2.30 -1.09 3.00 0.56 -4.86 117.38 110.50 2qoz n GLN 136 Ca 0.04 0.11 -0.42 0.00 -0.01 0.00 0.00 57.00 56.72 2qoz n GLN 136 Cb 0.36 -1.78 -0.03 0.00 0.00 0.00 0.00 30.24 28.78 2qoz n GLN 136 CO 0.00 0.00 0.00 -2.14 0.00 0.00 0.00 177.06 174.92 2qoz s PRO 137 N -6.38 4.41 0.36 -1.09 0.02 -1.26 -4.99 135.00 126.07 2qoz s PRO 137 Ca 0.30 1.93 -0.27 0.00 0.02 0.00 0.00 61.00 62.98 2qoz s PRO 137 Cb -0.17 -3.26 -0.09 0.00 0.02 0.00 0.00 34.50 31.00 2qoz s PRO 137 CO 0.78 -0.26 1.19 1.14 -0.33 0.00 0.00 177.00 179.51 2qoz s GLN 138 N 0.52 4.24 0.17 5.54 -2.07 -1.24 -4.36 119.66 122.47 2qoz s GLN 138 Ca 0.58 1.92 -0.32 0.00 -1.82 0.00 0.00 55.36 55.73 2qoz s GLN 138 Cb -0.34 -2.87 -0.12 0.00 -1.09 0.00 0.00 33.01 28.60 2qoz s GLN 138 CO 0.33 -0.18 1.75 1.33 -1.32 0.00 0.00 175.29 177.20 2qoz n VAL 139 N 0.47 0.12 -3.98 3.63 0.24 -1.26 -2.69 118.33 114.86 2qoz n VAL 139 Ca 0.02 -0.02 -0.31 0.00 -2.04 0.00 0.00 64.34 61.99 2qoz n VAL 139 Cb 0.45 -1.99 -0.15 0.00 -1.47 0.00 0.00 33.84 30.68 2qoz n VAL 139 CO 0.00 0.00 0.00 -0.22 -2.14 0.00 0.00 176.83 174.47 2qoz s LEU 140 N 1.67 4.10 -0.33 1.34 0.20 -1.13 -4.86 118.68 119.68 2qoz s LEU 140 Ca 0.78 -1.94 -0.28 0.00 0.69 0.00 0.00 54.13 53.38 2qoz s LEU 140 Cb -0.52 -1.47 -0.04 0.00 -0.43 0.00 0.00 46.19 43.73 2qoz s LEU 140 CO 0.35 -0.36 2.05 -0.62 -0.29 0.00 0.00 176.35 177.48 2qoz s ASP 141 N 1.06 5.48 0.00 3.68 -1.08 -1.26 -4.24 116.67 120.32 2qoz s ASP 141 Ca 0.08 1.43 0.00 0.00 -0.52 0.00 0.00 52.55 53.54 2qoz s ASP 141 Cb -0.19 -2.52 0.00 0.00 -1.46 0.00 0.00 42.92 38.76 2qoz s ASP 141 CO -0.10 -2.01 0.00 -0.38 0.52 0.00 0.00 175.17 173.20