#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2qu0 n LEU 3 N 0.00 0.00 -3.93 -0.89 7.99 -1.26 -5.07 117.00 113.84 2qu0 n LEU 3 Ca 0.00 0.00 -0.56 0.00 -0.01 0.00 0.00 56.01 55.44 2qu0 n LEU 3 Cb 0.00 0.00 -0.11 0.00 -0.11 0.00 0.00 43.42 43.20 2qu0 n LEU 3 CO 0.00 0.00 1.52 0.41 -1.51 0.00 0.00 177.39 177.81 2qu0 n THR 4 N 0.00 0.00 0.03 -5.08 -1.04 -1.26 -4.62 114.28 102.31 2qu0 n THR 4 Ca 0.00 0.00 0.00 0.00 -2.04 0.00 0.00 64.05 62.01 2qu0 n THR 4 Cb 0.00 -0.46 0.00 0.00 -1.82 0.00 0.00 70.33 68.05 2qu0 n THR 4 CO 0.00 0.00 0.00 0.00 -0.64 0.00 0.00 175.07 174.43 2qu0 n ALA 5 N 6.52 2.11 0.00 2.41 0.00 -1.26 0.88 120.51 131.17 2qu0 n ALA 5 Ca 0.48 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.92 2qu0 n ALA 5 Cb -0.04 -1.41 0.00 0.00 0.00 0.00 0.00 19.45 18.00 2qu0 n ALA 5 CO 0.00 0.00 0.00 -1.91 0.00 0.00 0.00 177.50 175.59 2qu0 n GLU 6 N 1.45 2.45 0.23 0.00 2.13 -1.26 -4.39 120.64 121.25 2qu0 n GLU 6 Ca 0.00 0.00 -0.09 0.00 0.66 0.00 0.00 57.16 57.73 2qu0 n GLU 6 Cb 0.16 -0.99 -0.04 0.00 0.27 0.00 0.00 31.44 30.83 2qu0 n GLU 6 CO 0.00 0.00 0.00 0.93 -0.41 0.00 0.00 177.13 177.65 2qu0 h GLU 7 N 0.00 -0.58 -0.76 5.31 5.08 0.17 -0.29 114.58 123.51 2qu0 h GLU 7 Ca 0.00 0.04 0.23 0.00 -1.00 0.00 0.00 59.36 58.63 2qu0 h GLU 7 Cb 0.99 0.13 -0.14 0.00 0.50 0.00 0.00 28.75 30.23 2qu0 h GLU 7 CO 0.00 -0.39 0.09 1.17 -1.00 0.00 0.00 179.01 178.88 2qu0 n LYS 8 N -3.78 -0.06 -0.06 2.33 4.81 -1.05 0.50 118.16 120.86 2qu0 n LYS 8 Ca -0.07 1.13 -0.15 0.00 -0.87 0.00 0.00 58.31 58.34 2qu0 n LYS 8 Cb 0.24 -1.83 -0.06 0.00 0.02 0.00 0.00 35.03 33.40 2qu0 n LYS 8 CO 0.00 0.00 0.00 0.00 1.17 0.00 0.00 177.40 178.57 2qu0 h ALA 9 N 1.52 0.36 0.00 3.14 0.00 -1.76 -1.67 119.26 120.85 2qu0 h ALA 9 Ca 0.50 -0.50 -0.04 0.00 0.00 0.00 0.00 54.91 54.87 2qu0 h ALA 9 Cb 1.09 -0.05 -0.01 0.00 0.00 0.00 0.00 17.79 18.82 2qu0 h ALA 9 CO -0.69 0.54 -0.21 0.00 0.00 0.00 0.00 179.25 178.88 2qu0 h ALA 10 N 0.61 1.63 0.02 0.00 0.00 0.19 0.38 119.26 122.10 2qu0 h ALA 10 Ca -0.00 -0.19 -0.05 0.00 0.00 0.00 0.00 54.91 54.67 2qu0 h ALA 10 Cb 1.11 -0.03 0.00 0.00 0.00 0.00 0.00 17.79 18.87 2qu0 h ALA 10 CO 0.11 0.27 -0.20 0.28 0.00 0.00 0.00 179.25 179.71 2qu0 h VAL 11 N 0.00 1.65 -0.41 0.00 2.07 -0.70 -1.81 116.25 117.05 2qu0 h VAL 11 Ca -0.00 -2.16 -0.03 0.00 0.82 0.00 0.00 66.70 65.32 2qu0 h VAL 11 Cb 0.38 3.08 -0.02 0.00 -1.52 0.00 0.00 31.29 33.22 2qu0 h VAL 11 CO 0.03 0.58 0.14 0.74 0.02 0.00 0.00 177.57 179.08 2qu0 h THR 12 N -0.71 1.21 -0.92 2.57 2.02 -1.26 0.31 112.91 116.12 2qu0 h THR 12 Ca -0.03 -0.69 0.16 0.00 0.77 0.00 0.00 66.41 66.63 2qu0 h THR 12 Cb 1.06 0.89 -0.10 0.00 -1.74 0.00 0.00 68.15 68.26 2qu0 h THR 12 CO 0.04 0.24 0.52 1.23 0.37 0.00 0.00 175.52 177.92 2qu0 h GLY 13 N 0.52 1.56 0.24 2.16 0.00 -0.29 -1.86 103.07 105.40 2qu0 h GLY 13 Ca 0.13 -0.31 -0.00 0.00 0.00 0.00 0.00 47.33 47.16 2qu0 h GLY 13 CO -0.01 -0.03 -0.01 -2.75 0.00 0.00 0.00 176.54 173.74 2qu0 h PHE 14 N 0.71 -0.03 -1.10 5.60 3.57 -1.03 -3.35 116.94 121.30 2qu0 h PHE 14 Ca 0.51 -0.00 0.31 0.00 3.53 0.00 0.00 57.97 62.32 2qu0 h PHE 14 Cb 0.74 0.01 -0.10 0.00 2.79 0.00 0.00 35.95 39.39 2qu0 h PHE 14 CO -0.05 0.65 0.70 2.35 -2.23 0.00 0.00 178.31 179.73 2qu0 h TRP 15 N -0.80 0.65 0.00 0.41 2.91 0.39 -1.52 115.95 117.99 2qu0 h TRP 15 Ca -0.00 0.02 0.00 0.00 1.13 0.00 0.00 58.89 60.04 2qu0 h TRP 15 Cb 0.70 -0.18 0.00 0.00 -0.51 0.00 0.00 29.16 29.17 2qu0 h TRP 15 CO 0.17 -0.01 0.00 0.41 -1.03 0.00 0.00 178.44 177.98 2qu0 n GLY 16 N -1.47 -0.74 0.05 2.65 0.00 -0.87 -1.84 105.19 102.98 2qu0 n GLY 16 Ca 0.28 -0.10 0.00 0.00 0.00 0.00 0.00 46.02 46.21 2qu0 n GLY 16 CO 0.00 0.00 0.00 0.58 0.00 0.00 0.00 173.32 173.90 2qu0 n LYS 17 N -1.14 2.50 -2.73 1.61 2.85 -0.57 -5.02 118.16 115.65 2qu0 n LYS 17 Ca 0.11 -1.42 -0.42 0.00 -1.05 0.00 0.00 58.31 55.53 2qu0 n LYS 17 Cb 0.10 -1.02 -0.03 0.00 -0.65 0.00 0.00 35.03 33.43 2qu0 n LYS 17 CO 0.00 0.00 0.00 0.08 -0.05 0.00 0.00 177.40 177.43 2qu0 s VAL 18 N -0.88 4.81 -1.16 0.58 1.01 -0.77 -4.93 120.40 119.06 2qu0 s VAL 18 Ca 0.02 1.95 -0.21 0.00 0.00 0.00 0.00 61.98 63.74 2qu0 s VAL 18 Cb 0.01 -4.27 -0.06 0.00 0.00 0.00 0.00 36.38 32.06 2qu0 s VAL 18 CO 0.01 0.01 1.91 0.29 0.00 0.00 0.00 175.10 177.32 2qu0 n LYS 19 N 5.05 2.00 -0.09 2.72 5.02 -1.26 -4.79 118.16 126.80 2qu0 n LYS 19 Ca 0.08 -2.55 0.18 0.00 -2.02 0.00 0.00 58.31 54.00 2qu0 n LYS 19 Cb 0.49 -3.52 0.60 0.00 -0.02 0.00 0.00 35.03 32.57 2qu0 n LYS 19 CO 0.00 0.00 0.00 -0.24 -0.52 0.00 0.00 177.40 176.64 2qu0 h VAL 20 N 5.64 0.75 0.23 -0.18 3.04 -1.93 -1.07 116.25 122.73 2qu0 h VAL 20 Ca 0.32 -0.07 -0.34 0.00 -1.01 0.00 0.00 66.70 65.60 2qu0 h VAL 20 Cb 0.86 0.53 0.03 0.00 -2.01 0.00 0.00 31.29 30.70 2qu0 h VAL 20 CO 1.43 0.04 -1.52 -2.24 -1.01 0.00 0.00 177.57 174.27 2qu0 h ASP 21 N 0.20 0.77 0.16 3.17 3.04 -1.92 0.10 116.42 121.95 2qu0 h ASP 21 Ca 0.32 -0.88 -0.13 0.00 -3.24 0.00 0.00 57.03 53.11 2qu0 h ASP 21 Cb 0.98 -0.25 -0.01 0.00 -1.04 0.00 0.00 39.33 39.01 2qu0 h ASP 21 CO -0.06 1.70 -0.47 1.05 -2.04 0.00 0.00 179.24 179.42 2qu0 h GLU 22 N 0.13 0.37 -0.49 4.15 4.11 -1.82 0.26 114.58 121.29 2qu0 h GLU 22 Ca -0.27 -0.20 -0.09 0.00 0.07 0.00 0.00 59.36 58.88 2qu0 h GLU 22 Cb 2.15 0.01 -0.02 0.00 0.50 0.00 0.00 28.75 31.39 2qu0 h GLU 22 CO 0.25 0.76 -0.05 0.28 0.07 0.00 0.00 179.01 180.33 2qu0 h VAL 23 N 0.30 1.26 -0.09 -1.06 2.07 -1.26 -2.35 116.25 115.11 2qu0 h VAL 23 Ca 0.02 -1.12 -0.01 0.00 0.82 0.00 0.00 66.70 66.42 2qu0 h VAL 23 Cb 0.94 0.93 -0.00 0.00 -1.52 0.00 0.00 31.29 31.64 2qu0 h VAL 23 CO 0.08 0.39 0.03 1.23 0.02 0.00 0.00 177.57 179.32 2qu0 h GLY 24 N 0.98 0.15 1.05 2.17 0.00 -0.72 -2.49 103.07 104.21 2qu0 h GLY 24 Ca 0.14 -0.08 -0.07 0.00 0.00 0.00 0.00 47.33 47.32 2qu0 h GLY 24 CO 0.03 0.08 0.15 0.00 0.00 0.00 0.00 176.54 176.80 2qu0 h ALA 25 N 0.86 0.89 -0.10 3.60 0.00 -0.89 -3.04 119.26 120.58 2qu0 h ALA 25 Ca 0.03 -0.25 -0.04 0.00 0.00 0.00 0.00 54.91 54.65 2qu0 h ALA 25 Cb 0.19 -0.26 -0.00 0.00 0.00 0.00 0.00 17.79 17.72 2qu0 h ALA 25 CO -0.00 0.62 -0.10 1.49 0.00 0.00 0.00 179.25 181.26 2qu0 h GLU 26 N 1.01 0.23 -0.41 0.00 4.81 -1.45 -1.92 114.58 116.85 2qu0 h GLU 26 Ca 0.21 -0.12 0.08 0.00 -0.13 0.00 0.00 59.36 59.39 2qu0 h GLU 26 Cb 0.38 0.00 -0.07 0.00 0.63 0.00 0.00 28.75 29.70 2qu0 h GLU 26 CO 0.00 0.66 -0.00 0.00 -0.73 0.00 0.00 179.01 178.94 2qu0 h ALA 27 N 0.57 0.37 -0.27 2.92 0.00 -1.49 0.46 119.26 121.82 2qu0 h ALA 27 Ca 0.01 0.12 -0.03 0.00 0.00 0.00 0.00 54.91 55.01 2qu0 h ALA 27 Cb 0.61 0.21 -0.01 0.00 0.00 0.00 0.00 17.79 18.60 2qu0 h ALA 27 CO 0.02 -0.39 0.04 1.25 0.00 0.00 0.00 179.25 180.17 2qu0 h LEU 28 N 0.10 0.44 -0.44 0.00 7.12 -1.55 0.07 115.31 121.05 2qu0 h LEU 28 Ca 0.20 -0.27 0.04 0.00 0.13 0.00 0.00 57.88 57.98 2qu0 h LEU 28 Cb 0.29 -0.12 -0.04 0.00 -0.53 0.00 0.00 40.66 40.27 2qu0 h LEU 28 CO -0.34 0.59 0.22 1.23 -0.13 0.00 0.00 178.44 180.01 2qu0 h GLY 29 N 0.26 0.60 0.89 3.75 0.00 -0.66 -1.80 103.07 106.11 2qu0 h GLY 29 Ca 0.08 -0.15 0.03 0.00 0.00 0.00 0.00 47.33 47.29 2qu0 h GLY 29 CO 0.01 0.10 0.47 3.21 0.00 0.00 0.00 176.54 180.33 2qu0 h ARG 30 N 0.44 0.90 -0.43 4.80 3.08 0.19 -2.52 114.38 120.84 2qu0 h ARG 30 Ca 0.19 -0.05 0.04 0.00 0.07 0.00 0.00 59.98 60.23 2qu0 h ARG 30 Cb 0.10 -0.20 -0.04 0.00 0.08 0.00 0.00 29.97 29.91 2qu0 h ARG 30 CO -0.14 0.60 0.19 1.25 -1.07 0.00 0.00 179.97 180.80 2qu0 h LEU 31 N 0.93 0.26 -1.60 3.04 5.85 -0.13 0.40 115.31 124.06 2qu0 h LEU 31 Ca 0.30 0.03 -0.01 0.00 0.84 0.00 0.00 57.88 59.04 2qu0 h LEU 31 Cb -0.00 -0.01 -0.00 0.00 0.37 0.00 0.00 40.66 41.02 2qu0 h LEU 31 CO -0.10 0.19 -0.05 -0.07 -0.34 0.00 0.00 178.44 178.06 2qu0 h LEU 32 N 0.39 0.00 0.00 2.25 3.38 -1.21 0.11 115.31 120.23 2qu0 h LEU 32 Ca 0.19 0.00 -0.18 0.00 0.09 0.00 0.00 57.88 57.98 2qu0 h LEU 32 Cb 0.13 0.00 -0.03 0.00 0.09 0.00 0.00 40.66 40.86 2qu0 h LEU 32 CO -0.16 0.05 -1.01 0.58 0.09 0.00 0.00 178.44 178.00 2qu0 h VAL 33 N 0.00 1.00 0.00 1.22 2.07 -0.95 -3.34 116.25 116.25 2qu0 h VAL 33 Ca -0.00 -2.14 -0.06 0.00 0.82 0.00 0.00 66.70 65.32 2qu0 h VAL 33 Cb 0.49 2.28 -0.01 0.00 -1.52 0.00 0.00 31.29 32.53 2qu0 h VAL 33 CO 0.01 0.34 -0.29 0.58 0.02 0.00 0.00 177.57 178.23 2qu0 h VAL 34 N -1.00 0.53 -2.78 2.57 2.07 -0.92 -3.36 116.25 113.37 2qu0 h VAL 34 Ca -0.27 -1.62 -0.60 0.00 0.82 0.00 0.00 66.70 65.03 2qu0 h VAL 34 Cb 1.20 2.16 -0.40 0.00 -1.52 0.00 0.00 31.29 32.73 2qu0 h VAL 34 CO -0.16 0.29 -0.79 -0.31 0.02 0.00 0.00 177.57 176.61 2qu0 s TYR 35 N -3.18 1.73 0.40 1.57 2.02 0.37 -5.00 117.35 115.25 2qu0 s TYR 35 Ca 0.04 -2.36 0.20 0.00 -0.37 0.00 0.00 57.07 54.58 2qu0 s TYR 35 Cb 0.07 -1.58 1.09 0.00 -0.40 0.00 0.00 41.96 41.15 2qu0 s TYR 35 CO 0.70 -0.77 1.97 -1.00 -1.57 0.00 0.00 175.55 174.87 2qu0 h PRO 36 N 6.37 0.00 0.00 -1.71 0.13 -1.72 -2.84 132.00 132.23 2qu0 h PRO 36 Ca 0.09 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.22 2qu0 h PRO 36 Cb 0.91 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.04 2qu0 h PRO 36 CO 0.44 0.21 0.00 0.11 -0.23 0.00 0.00 178.00 178.54 2qu0 h TRP 37 N 0.00 0.00 0.00 1.56 0.09 -1.92 0.84 115.95 116.53 2qu0 h TRP 37 Ca -0.00 0.00 0.00 0.00 0.09 0.00 0.00 58.89 58.98 2qu0 h TRP 37 Cb 0.45 0.00 0.00 0.00 0.08 0.00 0.00 29.16 29.69 2qu0 h TRP 37 CO 0.00 0.00 0.00 1.79 0.09 0.00 0.00 178.44 180.32 2qu0 h THR 38 N 0.00 0.00 0.00 0.12 1.35 -1.84 -2.71 112.91 109.84 2qu0 h THR 38 Ca 0.00 -0.23 -0.00 0.00 -0.55 0.00 0.00 66.41 65.63 2qu0 h THR 38 Cb 0.13 0.97 -0.00 0.00 -1.73 0.00 0.00 68.15 67.52 2qu0 h THR 38 CO 0.00 0.00 -0.01 1.56 -0.25 0.00 0.00 175.52 176.82 2qu0 h GLN 39 N 0.00 0.00 -0.19 4.72 4.20 0.54 -2.91 115.11 121.47 2qu0 h GLN 39 Ca 0.00 0.00 0.06 0.00 0.06 0.00 0.00 58.65 58.77 2qu0 h GLN 39 Cb 0.32 0.00 -0.01 0.00 0.30 0.00 0.00 27.48 28.10 2qu0 h GLN 39 CO 0.00 0.01 0.15 -0.09 -0.67 0.00 0.00 178.83 178.23 2qu0 h ARG 40 N 0.00 0.00 -0.01 1.46 2.43 -1.64 -1.27 114.38 115.35 2qu0 h ARG 40 Ca -0.00 0.00 0.00 0.00 -0.81 0.00 0.00 59.98 59.17 2qu0 h ARG 40 Cb 0.09 0.00 0.00 0.00 -0.42 0.00 0.00 29.97 29.64 2qu0 h ARG 40 CO 0.00 0.00 -0.08 1.19 -1.51 0.00 0.00 179.97 179.57 2qu0 n PHE 41 N -4.40 0.00 -2.23 2.20 3.72 -1.10 -4.17 117.46 111.48 2qu0 n PHE 41 Ca 0.02 0.00 0.01 0.00 -0.05 0.00 0.00 57.45 57.43 2qu0 n PHE 41 Cb 0.28 -0.07 0.01 0.00 -0.94 0.00 0.00 39.48 38.76 2qu0 n PHE 41 CO 0.00 0.00 0.00 1.19 -0.05 0.00 0.00 176.76 177.90 2qu0 n PHE 42 N -0.45 0.00 1.29 1.38 3.72 -0.50 -4.78 117.46 118.12 2qu0 n PHE 42 Ca 0.17 -0.26 0.15 0.00 -0.05 0.00 0.00 57.45 57.46 2qu0 n PHE 42 Cb 0.30 -0.05 0.71 0.00 -0.94 0.00 0.00 39.48 39.50 2qu0 n PHE 42 CO 0.00 0.00 0.00 -0.85 -0.05 0.00 0.00 176.76 175.86 2qu0 n GLU 43 N 0.23 0.30 0.00 -1.08 0.28 -1.05 -1.68 120.64 117.64 2qu0 n GLU 43 Ca 0.01 -0.00 0.13 0.00 -0.16 0.00 0.00 57.16 57.14 2qu0 n GLU 43 Cb 0.90 -1.50 0.67 0.00 1.43 0.00 0.00 31.44 32.93 2qu0 n GLU 43 CO 0.00 0.00 0.00 -2.39 -0.16 0.00 0.00 177.13 174.58 2qu0 n HIS 44 N -1.35 0.00 0.75 -1.84 1.44 -1.26 -3.35 115.22 109.61 2qu0 n HIS 44 Ca 0.12 0.00 0.13 0.00 -2.01 0.00 0.00 57.72 55.96 2qu0 n HIS 44 Cb 0.27 -0.34 0.43 0.00 0.12 0.00 0.00 29.99 30.47 2qu0 n HIS 44 CO 0.00 0.00 0.00 1.19 -2.81 0.00 0.00 176.34 174.72 2qu0 n PHE 45 N -1.34 0.56 0.00 -1.40 3.01 -0.67 -5.05 117.46 112.56 2qu0 n PHE 45 Ca 0.11 0.16 0.00 0.00 1.01 0.00 0.00 57.45 58.74 2qu0 n PHE 45 Cb 0.25 -0.74 0.00 0.00 -0.01 0.00 0.00 39.48 38.98 2qu0 n PHE 45 CO 0.00 0.00 0.00 0.41 1.01 0.00 0.00 176.76 178.18 2qu0 n GLY 46 N 1.38 -0.84 3.55 1.37 0.00 -1.21 -4.74 105.19 104.69 2qu0 n GLY 46 Ca 0.06 -2.13 -0.46 0.00 0.00 0.00 0.00 46.02 43.49 2qu0 n GLY 46 CO 0.00 0.00 0.00 1.34 0.00 0.00 0.00 173.32 174.66 2qu0 n ASP 47 N 0.00 2.90 -1.14 1.61 2.03 -1.26 -4.83 116.55 115.86 2qu0 n ASP 47 Ca 0.00 0.32 -0.05 0.00 0.52 0.00 0.00 54.79 55.57 2qu0 n ASP 47 Cb 0.00 -1.45 0.15 0.00 -0.72 0.00 0.00 41.12 39.10 2qu0 n ASP 47 CO 0.00 0.00 0.00 0.18 -1.92 0.00 0.00 177.20 175.46 2qu0 n LEU 48 N 10.79 3.64 -0.19 -2.67 4.77 -1.26 -4.50 117.00 127.58 2qu0 n LEU 48 Ca 0.33 -4.18 -0.10 0.00 -0.03 0.00 0.00 56.01 52.04 2qu0 n LEU 48 Cb 0.37 -0.49 0.01 0.00 -2.33 0.00 0.00 43.42 40.98 2qu0 n LEU 48 CO 0.70 1.62 0.77 0.28 -1.33 0.00 0.00 177.39 179.43 2qu0 h SER 49 N 1.40 1.01 -5.48 -1.43 0.02 -1.92 -3.46 113.55 103.68 2qu0 h SER 49 Ca 0.15 -0.34 -0.19 0.00 -0.84 0.00 0.00 61.79 60.58 2qu0 h SER 49 Cb 1.23 -0.27 -0.13 0.00 0.14 0.00 0.00 62.40 63.37 2qu0 h SER 49 CO 0.31 1.11 -0.42 0.54 -1.14 0.00 0.00 176.83 177.22 2qu0 s ASN 50 N -6.58 0.16 0.29 3.07 4.22 -1.26 -5.06 114.94 109.77 2qu0 s ASN 50 Ca -0.12 -1.25 0.04 0.00 -2.14 0.00 0.00 52.86 49.39 2qu0 s ASN 50 Cb 0.13 0.47 0.72 0.00 1.28 0.00 0.00 41.25 43.85 2qu0 s ASN 50 CO 0.86 -0.97 1.70 0.00 -2.04 0.00 0.00 177.10 176.64 2qu0 h ALA 51 N 2.45 1.43 0.03 3.54 0.00 -1.99 -1.96 119.26 122.77 2qu0 h ALA 51 Ca -0.32 0.16 -0.00 0.00 0.00 0.00 0.00 54.91 54.75 2qu0 h ALA 51 Cb 1.25 0.14 0.00 0.00 0.00 0.00 0.00 17.79 19.18 2qu0 h ALA 51 CO 0.46 -0.34 -0.02 -0.44 0.00 0.00 0.00 179.25 178.91 2qu0 h ASP 52 N 0.41 -0.04 -1.21 0.00 3.32 -1.98 -2.70 116.42 114.22 2qu0 h ASP 52 Ca 0.56 -0.61 0.37 0.00 0.02 0.00 0.00 57.03 57.37 2qu0 h ASP 52 Cb 1.05 0.01 -0.11 0.00 0.22 0.00 0.00 39.33 40.50 2qu0 h ASP 52 CO -0.52 0.61 0.79 0.00 -1.72 0.00 0.00 179.24 178.40 2qu0 h ALA 53 N 0.18 2.57 0.08 3.45 0.00 -1.70 0.15 119.26 123.98 2qu0 h ALA 53 Ca -0.00 0.09 -0.19 0.00 0.00 0.00 0.00 54.91 54.80 2qu0 h ALA 53 Cb 0.64 0.13 0.02 0.00 0.00 0.00 0.00 17.79 18.58 2qu0 h ALA 53 CO 0.01 -1.10 -0.79 0.28 0.00 0.00 0.00 179.25 177.65 2qu0 h VAL 54 N 0.20 1.44 0.00 0.00 2.07 -1.44 -2.72 116.25 115.80 2qu0 h VAL 54 Ca 0.72 -2.32 -0.06 0.00 0.82 0.00 0.00 66.70 65.86 2qu0 h VAL 54 Cb 2.16 2.85 -0.01 0.00 -1.52 0.00 0.00 31.29 34.77 2qu0 h VAL 54 CO -0.35 0.67 -0.29 0.24 0.02 0.00 0.00 177.57 177.86 2qu0 h MET 55 N -0.15 0.00 -0.01 1.57 2.07 -0.58 -2.74 114.93 115.10 2qu0 h MET 55 Ca -0.12 0.00 0.00 0.00 -2.07 0.00 0.00 59.70 57.51 2qu0 h MET 55 Cb 1.54 0.00 0.00 0.00 -1.87 0.00 0.00 31.60 31.27 2qu0 h MET 55 CO 0.15 0.29 -0.72 0.09 1.07 0.00 0.00 176.91 177.80 2qu0 n ASN 56 N -3.48 1.23 -4.62 1.22 3.02 0.29 -4.88 115.26 108.04 2qu0 n ASN 56 Ca -0.00 -1.03 -0.43 0.00 -0.03 0.00 0.00 54.58 53.09 2qu0 n ASN 56 Cb 0.46 0.67 -0.03 0.00 -0.61 0.00 0.00 39.78 40.28 2qu0 n ASN 56 CO 0.00 0.00 0.00 0.21 -2.62 0.00 0.00 177.26 174.85 2qu0 s ASN 57 N -2.81 6.24 0.21 6.41 3.84 -1.02 -4.89 114.94 122.92 2qu0 s ASN 57 Ca 0.13 1.50 -0.09 0.00 0.21 0.00 0.00 52.86 54.61 2qu0 s ASN 57 Cb 0.17 -2.53 0.26 0.00 -0.55 0.00 0.00 41.25 38.60 2qu0 s ASN 57 CO 0.73 -1.39 1.80 -0.65 -2.79 0.00 0.00 177.10 174.80 2qu0 h PRO 58 N 11.31 0.63 -0.68 0.43 0.11 -1.90 -1.62 132.00 140.27 2qu0 h PRO 58 Ca -0.33 -0.04 -0.01 0.00 0.11 0.00 0.00 66.00 65.73 2qu0 h PRO 58 Cb 1.16 -0.14 -0.03 0.00 0.11 0.00 0.00 31.00 32.09 2qu0 h PRO 58 CO 1.01 0.41 0.39 0.87 -0.21 0.00 0.00 178.00 180.47 2qu0 h LYS 59 N 0.65 0.93 0.00 1.05 1.57 -1.90 0.34 116.57 119.21 2qu0 h LYS 59 Ca 0.31 -0.09 0.00 0.00 -1.87 0.00 0.00 60.65 59.00 2qu0 h LYS 59 Cb 0.24 -0.19 0.00 0.00 0.08 0.00 0.00 32.23 32.36 2qu0 h LYS 59 CO -0.21 0.68 0.00 0.28 -0.57 0.00 0.00 179.45 179.63 2qu0 n VAL 60 N -4.38 0.00 -0.29 0.50 0.31 -0.68 -1.45 118.33 112.34 2qu0 n VAL 60 Ca 0.07 1.32 0.12 0.00 -0.01 0.00 0.00 64.34 65.83 2qu0 n VAL 60 Cb 0.09 -2.31 0.23 0.00 -0.91 0.00 0.00 33.84 30.94 2qu0 n VAL 60 CO 0.00 0.00 0.00 0.29 -1.32 0.00 0.00 176.83 175.80 2qu0 n LYS 61 N -1.71 -0.07 -0.32 5.55 5.02 -0.79 0.81 118.16 126.66 2qu0 n LYS 61 Ca 0.00 1.24 -0.01 0.00 -2.02 0.00 0.00 58.31 57.52 2qu0 n LYS 61 Cb 0.00 -1.96 0.11 0.00 -0.02 0.00 0.00 35.03 33.16 2qu0 n LYS 61 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 2qu0 h ALA 62 N 1.65 1.14 0.18 7.82 0.00 -0.26 -3.02 119.26 126.78 2qu0 h ALA 62 Ca 0.49 -0.04 -0.28 0.00 0.00 0.00 0.00 54.91 55.08 2qu0 h ALA 62 Cb 0.99 -0.30 0.03 0.00 0.00 0.00 0.00 17.79 18.51 2qu0 h ALA 62 CO -0.78 0.40 -1.20 1.25 0.00 0.00 0.00 179.25 178.91 2qu0 h HIS 63 N 1.08 0.87 -0.02 0.00 -0.00 0.16 -3.27 115.15 113.97 2qu0 h HIS 63 Ca 0.35 -0.60 0.01 0.00 -0.00 0.00 0.00 60.37 60.12 2qu0 h HIS 63 Cb 0.01 -0.05 -0.00 0.00 -0.00 0.00 0.00 27.41 27.37 2qu0 h HIS 63 CO -0.02 1.46 0.02 0.78 -0.00 0.00 0.00 177.93 180.17 2qu0 h GLY 64 N 0.04 0.00 1.42 5.26 0.00 -1.26 0.19 103.07 108.72 2qu0 h GLY 64 Ca -0.20 0.00 -0.11 0.00 0.00 0.00 0.00 47.33 47.01 2qu0 h GLY 64 CO 0.23 0.00 -0.27 1.70 0.00 0.00 0.00 176.54 178.20 2qu0 h LYS 65 N 0.00 0.67 -0.05 4.80 3.64 -1.58 -0.13 116.57 123.92 2qu0 h LYS 65 Ca 0.01 -0.28 -0.16 0.00 -1.27 0.00 0.00 60.65 58.95 2qu0 h LYS 65 Cb 0.05 -0.03 -0.01 0.00 -0.41 0.00 0.00 32.23 31.83 2qu0 h LYS 65 CO -0.00 0.87 -0.69 0.87 -2.27 0.00 0.00 179.45 178.23 2qu0 h LYS 66 N 0.58 0.23 -0.35 1.90 1.57 -0.76 -1.43 116.57 118.31 2qu0 h LYS 66 Ca 0.08 -0.19 -0.16 0.00 -1.87 0.00 0.00 60.65 58.51 2qu0 h LYS 66 Cb 0.75 0.04 -0.01 0.00 0.08 0.00 0.00 32.23 33.10 2qu0 h LYS 66 CO 0.06 0.83 -0.42 0.28 -0.57 0.00 0.00 179.45 179.63 2qu0 h VAL 67 N 0.16 1.28 0.00 0.50 2.07 -0.87 -2.71 116.25 116.68 2qu0 h VAL 67 Ca -0.02 -1.60 0.00 0.00 0.82 0.00 0.00 66.70 65.90 2qu0 h VAL 67 Cb 1.23 1.45 0.00 0.00 -1.52 0.00 0.00 31.29 32.46 2qu0 h VAL 67 CO 0.11 0.53 -0.13 -0.07 0.02 0.00 0.00 177.57 178.03 2qu0 h LEU 68 N 0.70 0.00 -0.13 2.57 3.38 -1.02 -2.72 115.31 118.09 2qu0 h LEU 68 Ca 0.05 -0.04 -0.03 0.00 0.09 0.00 0.00 57.88 57.95 2qu0 h LEU 68 Cb 1.01 0.00 -0.00 0.00 0.09 0.00 0.00 40.66 41.75 2qu0 h LEU 68 CO 0.10 0.02 -0.04 0.44 0.09 0.00 0.00 178.44 179.05 2qu0 h ASP 69 N 0.00 0.25 1.29 -0.43 3.32 -1.09 -1.17 116.42 118.59 2qu0 h ASP 69 Ca 0.00 -0.38 -0.05 0.00 0.02 0.00 0.00 57.03 56.62 2qu0 h ASP 69 Cb 0.77 -0.07 -0.01 0.00 0.22 0.00 0.00 39.33 40.24 2qu0 h ASP 69 CO 0.00 0.57 -0.24 0.77 -1.72 0.00 0.00 179.24 178.62 2qu0 h SER 70 N -0.07 0.00 -0.47 6.45 4.64 -1.51 -0.30 113.55 122.29 2qu0 h SER 70 Ca 0.03 0.00 -0.13 0.00 -0.47 0.00 0.00 61.79 61.23 2qu0 h SER 70 Cb 0.46 0.00 -0.01 0.00 -0.31 0.00 0.00 62.40 62.54 2qu0 h SER 70 CO 0.01 0.24 -0.20 0.15 -0.87 0.00 0.00 176.83 176.17 2qu0 h PHE 71 N 0.00 1.11 0.51 4.77 3.57 -1.51 -1.70 116.94 123.69 2qu0 h PHE 71 Ca -0.00 -0.27 -0.01 0.00 3.53 0.00 0.00 57.97 61.22 2qu0 h PHE 71 Cb 0.95 -0.26 -0.01 0.00 2.79 0.00 0.00 35.95 39.42 2qu0 h PHE 71 CO 0.00 1.08 -0.40 1.03 -2.23 0.00 0.00 178.31 177.79 2qu0 h SER 72 N 0.82 -1.04 0.45 0.41 0.87 -0.24 -1.32 113.55 113.50 2qu0 h SER 72 Ca 0.11 0.08 0.00 0.00 -1.23 0.00 0.00 61.79 60.74 2qu0 h SER 72 Cb 0.77 0.33 0.00 0.00 -0.44 0.00 0.00 62.40 63.06 2qu0 h SER 72 CO 0.06 -0.58 0.00 -0.46 -0.53 0.00 0.00 176.83 175.33 2qu0 n ASN 73 N -5.51 0.00 0.14 6.23 0.23 -0.22 -0.41 115.26 115.73 2qu0 n ASN 73 Ca -0.12 0.15 0.00 0.00 -0.53 0.00 0.00 54.58 54.09 2qu0 n ASN 73 Cb 0.40 -0.35 0.18 0.00 -2.08 0.00 0.00 39.78 37.94 2qu0 n ASN 73 CO 0.00 0.00 0.00 1.23 -0.93 0.00 0.00 177.26 177.56 2qu0 h GLY 74 N 3.25 0.00 1.12 4.83 0.00 -0.28 -3.25 103.07 108.73 2qu0 h GLY 74 Ca 0.00 0.00 -0.11 0.00 0.00 0.00 0.00 47.33 47.22 2qu0 h GLY 74 CO 0.00 0.00 -0.11 -0.33 0.00 0.00 0.00 176.54 176.10 2qu0 h MET 75 N 0.00 1.02 0.00 4.80 2.86 -0.02 -3.12 114.93 120.47 2qu0 h MET 75 Ca -0.01 -0.38 0.00 0.00 -2.06 0.00 0.00 59.70 57.26 2qu0 h MET 75 Cb 1.10 -0.07 0.00 0.00 0.06 0.00 0.00 31.60 32.70 2qu0 h MET 75 CO 0.08 1.06 0.00 1.63 1.06 0.00 0.00 176.91 180.74 2qu0 n LYS 76 N -4.14 0.59 -3.23 1.72 5.02 -1.23 -3.80 118.16 113.09 2qu0 n LYS 76 Ca 0.02 0.01 -0.24 0.00 -2.02 0.00 0.00 58.31 56.07 2qu0 n LYS 76 Cb 0.40 -1.50 -0.06 0.00 -0.02 0.00 0.00 35.03 33.85 2qu0 n LYS 76 CO 0.00 0.00 0.00 0.72 -0.52 0.00 0.00 177.40 177.60 2qu0 n HIS 77 N -1.19 1.54 0.02 2.13 8.25 -1.18 -4.99 115.22 119.80 2qu0 n HIS 77 Ca 0.17 -3.84 -0.11 0.00 -0.26 0.00 0.00 57.72 53.67 2qu0 n HIS 77 Cb 0.19 -0.44 -0.14 0.00 1.12 0.00 0.00 29.99 30.72 2qu0 n HIS 77 CO 0.00 0.00 0.00 -0.07 0.64 0.00 0.00 176.34 176.91 2qu0 h LEU 78 N 3.75 0.12 0.00 2.41 3.38 -1.68 -3.33 115.31 119.96 2qu0 h LEU 78 Ca 0.12 -0.19 -0.07 0.00 0.09 0.00 0.00 57.88 57.84 2qu0 h LEU 78 Cb 0.78 -0.04 -0.01 0.00 0.09 0.00 0.00 40.66 41.48 2qu0 h LEU 78 CO 0.63 1.16 -0.47 -2.24 0.09 0.00 0.00 178.44 177.61 2qu0 h ASP 79 N 0.02 0.00 -2.88 -0.43 3.04 -1.93 -3.41 116.42 110.83 2qu0 h ASP 79 Ca -0.21 0.00 -0.63 0.00 -3.24 0.00 0.00 57.03 52.96 2qu0 h ASP 79 Cb 1.95 0.00 -0.05 0.00 -1.04 0.00 0.00 39.33 40.19 2qu0 h ASP 79 CO 0.11 0.30 -0.48 -0.62 -2.04 0.00 0.00 179.24 176.52 2qu0 s ASP 80 N -6.22 6.38 0.20 4.15 2.15 -1.25 -4.93 116.67 117.14 2qu0 s ASP 80 Ca 0.04 0.34 0.00 0.00 0.43 0.00 0.00 52.55 53.35 2qu0 s ASP 80 Cb 0.07 -1.99 0.00 0.00 -0.30 0.00 0.00 42.92 40.70 2qu0 s ASP 80 CO 0.73 0.21 0.00 -0.11 -0.17 0.00 0.00 175.17 175.83 2qu0 n LEU 81 N 0.60 -1.76 -0.22 -1.34 7.94 -1.26 -4.76 117.00 116.21 2qu0 n LEU 81 Ca -0.08 0.54 0.17 0.00 -1.11 0.00 0.00 56.01 55.53 2qu0 n LEU 81 Cb 0.52 1.86 0.32 0.00 0.53 0.00 0.00 43.42 46.64 2qu0 n LEU 81 CO 0.48 0.06 0.64 0.29 -1.11 0.00 0.00 177.39 177.74 2qu0 n LYS 82 N -2.99 -0.04 -0.04 1.96 5.02 -1.26 -0.90 118.16 119.91 2qu0 n LYS 82 Ca 0.00 0.94 -0.06 0.00 -2.02 0.00 0.00 58.31 57.17 2qu0 n LYS 82 Cb 0.00 -1.62 -0.14 0.00 -0.02 0.00 0.00 35.03 33.25 2qu0 n LYS 82 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 2qu0 n GLY 83 N -1.23 -1.04 0.26 0.72 0.00 -1.26 -1.22 105.19 101.41 2qu0 n GLY 83 Ca 0.22 -0.18 0.02 0.00 0.00 0.00 0.00 46.02 46.07 2qu0 n GLY 83 CO 0.00 0.00 0.00 -0.84 0.00 0.00 0.00 173.32 172.48 2qu0 h THR 84 N 0.00 1.18 0.00 2.61 2.02 -1.46 -3.15 112.91 114.11 2qu0 h THR 84 Ca -0.34 -0.74 0.00 0.00 0.77 0.00 0.00 66.41 66.10 2qu0 h THR 84 Cb 1.96 1.07 0.00 0.00 -1.74 0.00 0.00 68.15 69.44 2qu0 h THR 84 CO 0.05 0.24 -1.71 0.49 0.37 0.00 0.00 175.52 174.96 2qu0 n PHE 85 N -4.29 0.00 -0.14 3.16 3.72 -0.08 -4.75 117.46 115.07 2qu0 n PHE 85 Ca 0.00 0.00 0.05 0.00 -0.05 0.00 0.00 57.45 57.45 2qu0 n PHE 85 Cb 0.25 -0.36 0.10 0.00 -0.94 0.00 0.00 39.48 38.52 2qu0 n PHE 85 CO 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 176.76 176.71 2qu0 n ALA 86 N -2.04 0.17 0.51 4.37 0.00 -0.36 -0.44 120.51 122.71 2qu0 n ALA 86 Ca -0.02 0.45 0.12 0.00 0.00 0.00 0.00 53.44 53.98 2qu0 n ALA 86 Cb 0.48 -0.30 0.09 0.00 0.00 0.00 0.00 19.45 19.72 2qu0 n ALA 86 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 2qu0 n GLN 87 N -4.52 0.33 0.18 0.00 0.00 -1.26 -3.00 117.38 109.12 2qu0 n GLN 87 Ca 0.08 0.05 0.13 0.00 0.00 0.00 0.00 57.00 57.26 2qu0 n GLN 87 Cb 0.27 -1.66 0.31 0.00 0.00 0.00 0.00 30.24 29.16 2qu0 n GLN 87 CO 0.00 0.00 0.00 -0.07 0.00 0.00 0.00 177.06 176.99 2qu0 h LEU 88 N 0.00 0.00 0.06 2.61 3.38 -1.09 -2.62 115.31 117.64 2qu0 h LEU 88 Ca 0.00 0.00 -0.00 0.00 0.09 0.00 0.00 57.88 57.97 2qu0 h LEU 88 Cb 0.77 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.52 2qu0 h LEU 88 CO 0.00 0.00 -0.03 -1.28 0.09 0.00 0.00 178.44 177.22 2qu0 h SER 89 N 0.00 -0.07 -0.89 -0.43 0.87 -1.42 -1.55 113.55 110.06 2qu0 h SER 89 Ca 0.00 -0.55 0.15 0.00 -1.23 0.00 0.00 61.79 60.16 2qu0 h SER 89 Cb 0.84 0.02 -0.15 0.00 -0.44 0.00 0.00 62.40 62.67 2qu0 h SER 89 CO 0.00 0.56 -0.31 1.21 -0.53 0.00 0.00 176.83 177.75 2qu0 n GLU 90 N -4.82 -0.17 0.21 2.24 4.07 -1.16 0.26 120.64 121.26 2qu0 n GLU 90 Ca -0.08 1.38 -0.09 0.00 -0.06 0.00 0.00 57.16 58.31 2qu0 n GLU 90 Cb 0.30 -2.05 -0.04 0.00 -0.06 0.00 0.00 31.44 29.59 2qu0 n GLU 90 CO 0.00 0.00 0.00 1.25 -0.06 0.00 0.00 177.13 178.32 2qu0 h LEU 91 N 0.00 -0.47 -0.16 4.31 5.85 -1.39 0.97 115.31 124.42 2qu0 h LEU 91 Ca 0.34 0.02 -0.00 0.00 0.84 0.00 0.00 57.88 59.08 2qu0 h LEU 91 Cb 0.56 0.12 -0.01 0.00 0.37 0.00 0.00 40.66 41.71 2qu0 h LEU 91 CO -0.89 -0.24 0.10 0.45 -0.34 0.00 0.00 178.44 177.51 2qu0 h HIS 92 N -0.75 0.22 -0.03 1.25 3.86 -1.24 0.45 115.15 118.92 2qu0 h HIS 92 Ca -0.06 -0.00 0.00 0.00 -1.16 0.00 0.00 60.37 59.15 2qu0 h HIS 92 Cb 0.43 -0.07 0.00 0.00 1.06 0.00 0.00 27.41 28.83 2qu0 h HIS 92 CO 0.06 0.19 0.00 0.00 0.86 0.00 0.00 177.93 179.04 2qu0 n ASP 94 N -0.02 1.56 -0.13 0.00 -0.08 0.32 -4.70 116.55 113.50 2qu0 n ASP 94 Ca 0.19 0.00 -0.28 0.00 -1.51 0.00 0.00 54.79 53.20 2qu0 n ASP 94 Cb 0.31 0.21 -0.09 0.00 2.34 0.00 0.00 41.12 43.89 2qu0 n ASP 94 CO 0.00 0.00 0.00 0.29 0.12 0.00 0.00 177.20 177.61 2qu0 n LYS 95 N -0.79 0.55 0.01 -0.67 4.76 0.01 -4.79 118.16 117.24 2qu0 n LYS 95 Ca 0.00 0.24 -0.15 0.00 -2.87 0.00 0.00 58.31 55.53 2qu0 n LYS 95 Cb 0.10 -1.42 -0.14 0.00 -1.84 0.00 0.00 35.03 31.73 2qu0 n LYS 95 CO 0.00 0.00 0.00 -0.07 -1.37 0.00 0.00 177.40 175.96 2qu0 h LEU 96 N -0.90 0.24 -2.38 -0.35 3.38 -1.10 -3.50 115.31 110.70 2qu0 h LEU 96 Ca -0.66 -0.46 -0.09 0.00 0.09 0.00 0.00 57.88 56.76 2qu0 h LEU 96 Cb 1.59 -0.08 0.06 0.00 0.09 0.00 0.00 40.66 42.32 2qu0 h LEU 96 CO -0.39 1.40 -0.25 1.41 0.09 0.00 0.00 178.44 180.70 2qu0 n HIS 97 N -3.30 -0.72 -3.57 1.13 8.25 0.38 -5.01 115.22 112.38 2qu0 n HIS 97 Ca -0.21 0.28 -0.37 0.00 -0.26 0.00 0.00 57.72 57.15 2qu0 n HIS 97 Cb 1.05 -2.98 -0.06 0.00 1.12 0.00 0.00 29.99 29.11 2qu0 n HIS 97 CO 0.00 0.00 0.00 0.08 0.64 0.00 0.00 176.34 177.06 2qu0 s VAL 98 N -3.12 5.23 0.15 1.59 1.01 -1.10 -5.04 120.40 119.13 2qu0 s VAL 98 Ca 0.07 0.62 -0.30 0.00 0.00 0.00 0.00 61.98 62.37 2qu0 s VAL 98 Cb -0.01 -3.63 -0.08 0.00 0.00 0.00 0.00 36.38 32.66 2qu0 s VAL 98 CO 0.23 0.50 1.31 -0.62 0.00 0.00 0.00 175.10 176.52 2qu0 s ASP 99 N -0.36 6.91 0.61 3.32 -1.08 -1.26 -4.74 116.67 120.07 2qu0 s ASP 99 Ca 0.19 2.32 0.27 0.00 -0.52 0.00 0.00 52.55 54.81 2qu0 s ASP 99 Cb -0.14 -2.60 1.20 0.00 -1.46 0.00 0.00 42.92 39.92 2qu0 s ASP 99 CO 0.08 -0.55 1.61 1.55 0.52 0.00 0.00 175.17 178.38 2qu0 h PRO 100 N 6.01 0.00 -0.39 4.34 0.13 -1.99 -2.27 132.00 137.84 2qu0 h PRO 100 Ca -0.43 0.00 0.11 0.00 -0.87 0.00 0.00 66.00 64.81 2qu0 h PRO 100 Cb 1.21 0.00 -0.02 0.00 0.13 0.00 0.00 31.00 32.33 2qu0 h PRO 100 CO 0.81 0.00 0.29 1.49 -0.23 0.00 0.00 178.00 180.36 2qu0 h GLU 101 N 0.00 0.00 0.00 0.86 4.57 -1.99 -1.74 114.58 116.28 2qu0 h GLU 101 Ca 0.31 0.00 0.00 0.00 -1.18 0.00 0.00 59.36 58.49 2qu0 h GLU 101 Cb 1.94 0.00 0.00 0.00 -0.16 0.00 0.00 28.75 30.53 2qu0 h GLU 101 CO -0.00 0.00 -0.03 -0.91 -1.18 0.00 0.00 179.01 176.89 2qu0 h ASN 102 N 0.00 0.00 -0.33 1.04 2.35 -1.79 -2.03 115.58 114.82 2qu0 h ASN 102 Ca 0.18 -0.00 -0.15 0.00 -0.55 0.00 0.00 56.30 55.78 2qu0 h ASN 102 Cb 0.76 0.00 -0.01 0.00 0.05 0.00 0.00 38.32 39.12 2qu0 h ASN 102 CO -0.00 0.00 -0.37 -0.26 -1.65 0.00 0.00 177.43 175.15 2qu0 h PHE 103 N 0.00 1.05 -0.48 1.19 0.04 -1.52 0.40 116.94 117.61 2qu0 h PHE 103 Ca 0.00 -0.30 -0.12 0.00 2.80 0.00 0.00 57.97 60.35 2qu0 h PHE 103 Cb 0.93 -0.22 -0.02 0.00 2.20 0.00 0.00 35.95 38.84 2qu0 h PHE 103 CO 0.00 1.11 -0.18 -0.09 -0.60 0.00 0.00 178.31 178.55 2qu0 h ARG 104 N 0.72 0.94 -0.43 1.51 2.43 -1.54 -1.26 114.38 116.76 2qu0 h ARG 104 Ca 0.06 -0.37 -0.03 0.00 -0.81 0.00 0.00 59.98 58.83 2qu0 h ARG 104 Cb 0.94 -0.05 -0.02 0.00 -0.42 0.00 0.00 29.97 30.43 2qu0 h ARG 104 CO 0.09 1.04 0.14 -0.07 -1.51 0.00 0.00 179.97 179.65 2qu0 h LEU 105 N 0.82 0.63 -0.72 3.80 3.38 -1.16 0.09 115.31 122.15 2qu0 h LEU 105 Ca 0.12 -0.20 -0.10 0.00 0.09 0.00 0.00 57.88 57.78 2qu0 h LEU 105 Cb 0.73 -0.16 -0.02 0.00 0.09 0.00 0.00 40.66 41.30 2qu0 h LEU 105 CO 0.06 0.66 -0.10 0.25 0.09 0.00 0.00 178.44 179.40 2qu0 h LEU 106 N 0.55 0.88 -1.06 1.67 5.85 -0.90 -1.98 115.31 120.31 2qu0 h LEU 106 Ca 0.14 -0.27 -0.04 0.00 0.84 0.00 0.00 57.88 58.55 2qu0 h LEU 106 Cb 0.26 -0.24 -0.03 0.00 0.37 0.00 0.00 40.66 41.03 2qu0 h LEU 106 CO -0.00 1.00 0.18 1.23 -0.34 0.00 0.00 178.44 180.50 2qu0 h GLY 107 N 0.97 0.91 2.00 3.75 0.00 -0.92 0.22 103.07 110.00 2qu0 h GLY 107 Ca 0.13 -0.50 -0.10 0.00 0.00 0.00 0.00 47.33 46.86 2qu0 h GLY 107 CO 0.04 0.47 -0.49 3.43 0.00 0.00 0.00 176.54 179.99 2qu0 h ASN 108 N 0.83 0.00 -0.07 0.19 -0.26 -0.78 -2.34 115.58 113.15 2qu0 h ASN 108 Ca 0.19 0.00 -0.03 0.00 -0.56 0.00 0.00 56.30 55.90 2qu0 h ASN 108 Cb 0.24 0.00 -0.00 0.00 -1.06 0.00 0.00 38.32 37.50 2qu0 h ASN 108 CO -0.01 0.49 -0.07 0.58 -1.06 0.00 0.00 177.43 177.36 2qu0 h VAL 109 N 0.00 1.37 -0.73 2.81 2.07 -0.70 -2.89 116.25 118.18 2qu0 h VAL 109 Ca -0.00 -1.22 0.14 0.00 0.82 0.00 0.00 66.70 66.43 2qu0 h VAL 109 Cb 1.11 2.03 -0.14 0.00 -1.52 0.00 0.00 31.29 32.78 2qu0 h VAL 109 CO 0.06 0.34 -0.27 0.25 0.02 0.00 0.00 177.57 177.97 2qu0 h LEU 110 N -0.27 -0.96 -0.47 2.57 5.85 -0.53 -1.21 115.31 120.29 2qu0 h LEU 110 Ca 0.01 0.24 0.03 0.00 0.84 0.00 0.00 57.88 59.00 2qu0 h LEU 110 Cb 0.57 0.54 -0.04 0.00 0.37 0.00 0.00 40.66 42.11 2qu0 h LEU 110 CO 0.02 -0.28 0.25 0.58 -0.34 0.00 0.00 178.44 178.67 2qu0 h VAL 111 N -0.06 1.00 -0.32 1.05 2.07 -1.31 -0.89 116.25 117.80 2qu0 h VAL 111 Ca 0.32 -0.17 -0.05 0.00 0.82 0.00 0.00 66.70 67.61 2qu0 h VAL 111 Cb 0.56 0.45 -0.02 0.00 -1.52 0.00 0.00 31.29 30.77 2qu0 h VAL 111 CO -0.77 0.09 -0.02 0.58 0.02 0.00 0.00 177.57 177.48 2qu0 h VAL 112 N 0.51 1.19 -0.28 2.57 2.07 -1.11 -1.88 116.25 119.32 2qu0 h VAL 112 Ca 0.20 -0.78 -0.06 0.00 0.82 0.00 0.00 66.70 66.88 2qu0 h VAL 112 Cb 0.07 0.97 -0.01 0.00 -1.52 0.00 0.00 31.29 30.80 2qu0 h VAL 112 CO -0.12 0.27 -0.04 0.58 0.02 0.00 0.00 177.57 178.28 2qu0 h VAL 113 N 0.48 1.27 -0.20 2.57 2.07 -0.39 -2.22 116.25 119.83 2qu0 h VAL 113 Ca 0.10 -1.03 0.05 0.00 0.82 0.00 0.00 66.70 66.65 2qu0 h VAL 113 Cb 0.34 1.38 -0.06 0.00 -1.52 0.00 0.00 31.29 31.43 2qu0 h VAL 113 CO 0.01 0.33 -0.20 -0.07 0.02 0.00 0.00 177.57 177.66 2qu0 h LEU 114 N 0.29 -0.62 -0.83 2.57 3.38 -0.50 -0.64 115.31 118.96 2qu0 h LEU 114 Ca 0.07 0.12 0.04 0.00 0.09 0.00 0.00 57.88 58.20 2qu0 h LEU 114 Cb 0.50 0.30 -0.05 0.00 0.09 0.00 0.00 40.66 41.50 2qu0 h LEU 114 CO 0.02 -0.24 0.53 0.00 0.09 0.00 0.00 178.44 178.85 2qu0 h ALA 115 N 0.86 1.10 -0.73 1.53 0.00 -1.30 0.85 119.26 121.57 2qu0 h ALA 115 Ca 0.12 -0.03 -0.03 0.00 0.00 0.00 0.00 54.91 54.98 2qu0 h ALA 115 Cb 0.40 -0.28 -0.03 0.00 0.00 0.00 0.00 17.79 17.88 2qu0 h ALA 115 CO -0.33 0.35 0.35 -0.09 0.00 0.00 0.00 179.25 179.54 2qu0 h ARG 116 N 1.03 1.06 0.20 0.00 2.43 -1.00 -1.01 114.38 117.09 2qu0 h ARG 116 Ca 0.34 -0.15 -0.01 0.00 -0.81 0.00 0.00 59.98 59.34 2qu0 h ARG 116 Cb 0.03 -0.19 0.00 0.00 -0.42 0.00 0.00 29.97 29.39 2qu0 h ARG 116 CO -0.12 0.83 -0.10 0.45 -1.51 0.00 0.00 179.97 179.52 2qu0 h HIS 117 N 1.03 -0.25 -0.54 2.20 3.86 -0.47 -3.36 115.15 117.61 2qu0 h HIS 117 Ca 0.25 -0.01 0.00 0.00 -1.16 0.00 0.00 60.37 59.46 2qu0 h HIS 117 Cb 0.12 0.08 0.00 0.00 1.06 0.00 0.00 27.41 28.67 2qu0 h HIS 117 CO 0.01 0.08 0.00 0.72 0.86 0.00 0.00 177.93 179.60 2qu0 n HIS 118 N -5.06 1.63 0.00 2.45 8.25 0.23 -5.00 115.22 117.72 2qu0 n HIS 118 Ca -0.09 -0.70 0.00 0.00 -0.26 0.00 0.00 57.72 56.67 2qu0 n HIS 118 Cb 0.24 -0.37 0.00 0.00 1.12 0.00 0.00 29.99 30.98 2qu0 n HIS 118 CO 0.00 0.00 0.00 0.41 0.64 0.00 0.00 176.34 177.39 2qu0 n GLY 119 N 0.62 2.05 0.00 -1.41 0.00 -0.39 -1.61 105.19 104.44 2qu0 n GLY 119 Ca 0.25 0.04 0.07 0.00 0.00 0.00 0.00 46.02 46.39 2qu0 n GLY 119 CO 0.00 0.00 0.00 0.70 0.00 0.00 0.00 173.32 174.02 2qu0 n ASN 120 N 0.90 0.00 -0.06 1.61 5.03 -1.26 -1.63 115.26 119.85 2qu0 n ASN 120 Ca 0.00 -1.16 -0.15 0.00 0.87 0.00 0.00 54.58 54.14 2qu0 n ASN 120 Cb 0.00 0.00 -0.06 0.00 -1.02 0.00 0.00 39.78 38.70 2qu0 n ASN 120 CO 0.00 0.00 0.00 -0.33 -1.83 0.00 0.00 177.26 175.10 2qu0 h GLU 121 N 0.00 0.72 -4.84 3.52 5.08 -1.70 -3.39 114.58 113.97 2qu0 h GLU 121 Ca 0.00 -0.49 -0.62 0.00 -1.00 0.00 0.00 59.36 57.25 2qu0 h GLU 121 Cb 0.00 0.07 -0.03 0.00 0.50 0.00 0.00 28.75 29.29 2qu0 h GLU 121 CO 0.00 1.11 2.33 0.34 -1.00 0.00 0.00 179.01 181.80 2qu0 n PHE 122 N -4.12 3.25 -2.15 4.33 7.35 -0.64 -4.91 117.46 120.56 2qu0 n PHE 122 Ca -0.06 -2.38 -0.32 0.00 -0.76 0.00 0.00 57.45 53.93 2qu0 n PHE 122 Cb 0.60 -2.37 -0.01 0.00 0.35 0.00 0.00 39.48 38.05 2qu0 n PHE 122 CO 0.00 0.00 0.00 0.95 -0.76 0.00 0.00 176.76 176.95 2qu0 s THR 123 N 5.29 4.48 0.32 -2.13 -4.23 -1.26 -4.79 115.64 113.33 2qu0 s THR 123 Ca 0.55 1.04 0.09 0.00 -1.18 0.00 0.00 61.69 62.20 2qu0 s THR 123 Cb 0.09 -3.71 0.35 0.00 1.34 0.00 0.00 72.50 70.57 2qu0 s THR 123 CO 0.05 -0.82 1.62 -0.65 -0.54 0.00 0.00 174.62 174.27 2qu0 h PRO 124 N 0.39 0.14 0.00 3.99 0.11 -1.97 -0.55 132.00 134.12 2qu0 h PRO 124 Ca -0.46 -0.01 0.00 0.00 0.11 0.00 0.00 66.00 65.64 2qu0 h PRO 124 Cb 1.19 -0.03 0.00 0.00 0.11 0.00 0.00 31.00 32.27 2qu0 h PRO 124 CO 0.61 0.09 0.00 0.28 -0.21 0.00 0.00 178.00 178.77 2qu0 n VAL 125 N -5.25 0.00 -0.34 3.15 0.31 -1.26 -1.77 118.33 113.17 2qu0 n VAL 125 Ca 0.28 1.49 0.29 0.00 -0.01 0.00 0.00 64.34 66.39 2qu0 n VAL 125 Cb 0.91 -2.40 0.62 0.00 -0.91 0.00 0.00 33.84 32.06 2qu0 n VAL 125 CO 0.00 0.00 0.00 0.25 -1.32 0.00 0.00 176.83 175.76 2qu0 h LEU 126 N 0.00 0.25 0.01 7.52 5.85 -1.62 0.53 115.31 127.85 2qu0 h LEU 126 Ca 0.00 0.05 -0.00 0.00 0.84 0.00 0.00 57.88 58.77 2qu0 h LEU 126 Cb 0.00 0.02 0.00 0.00 0.37 0.00 0.00 40.66 41.05 2qu0 h LEU 126 CO 0.00 0.03 -0.00 -0.61 -0.34 0.00 0.00 178.44 177.51 2qu0 h GLN 127 N 0.21 -0.01 -0.53 1.25 4.15 -1.13 -1.22 115.11 117.83 2qu0 h GLN 127 Ca 0.61 0.00 0.07 0.00 0.77 0.00 0.00 58.65 60.10 2qu0 h GLN 127 Cb 1.92 0.00 -0.06 0.00 0.21 0.00 0.00 27.48 29.55 2qu0 h GLN 127 CO -0.19 0.17 0.20 0.00 -1.93 0.00 0.00 178.83 177.08 2qu0 h ALA 128 N 0.81 0.66 -0.20 3.38 0.00 0.88 0.33 119.26 125.12 2qu0 h ALA 128 Ca -0.00 0.06 0.04 0.00 0.00 0.00 0.00 54.91 55.01 2qu0 h ALA 128 Cb 0.18 0.03 -0.04 0.00 0.00 0.00 0.00 17.79 17.97 2qu0 h ALA 128 CO 0.00 -0.19 -0.05 -0.44 0.00 0.00 0.00 179.25 178.57 2qu0 h ASP 129 N 0.39 -0.18 0.21 0.00 3.32 -1.42 -2.65 116.42 116.10 2qu0 h ASP 129 Ca 0.26 0.06 -0.04 0.00 0.02 0.00 0.00 57.03 57.32 2qu0 h ASP 129 Cb 0.27 0.12 -0.01 0.00 0.22 0.00 0.00 39.33 39.94 2qu0 h ASP 129 CO -0.25 -0.06 -0.20 -0.26 -1.72 0.00 0.00 179.24 176.75 2qu0 h PHE 130 N 0.00 0.00 -0.33 4.55 0.04 0.31 -2.81 116.94 118.70 2qu0 h PHE 130 Ca 0.09 0.00 -0.05 0.00 2.80 0.00 0.00 57.97 60.82 2qu0 h PHE 130 Cb 0.14 0.00 -0.01 0.00 2.20 0.00 0.00 35.95 38.28 2qu0 h PHE 130 CO -0.21 0.20 0.02 1.96 -0.60 0.00 0.00 178.31 179.68 2qu0 h GLN 131 N 0.00 0.57 -0.97 1.51 1.08 -0.12 -1.84 115.11 115.34 2qu0 h GLN 131 Ca -0.00 -0.17 0.17 0.00 -1.45 0.00 0.00 58.65 57.20 2qu0 h GLN 131 Cb 0.36 -0.06 -0.09 0.00 -0.05 0.00 0.00 27.48 27.64 2qu0 h GLN 131 CO 0.03 0.68 0.61 0.87 -0.95 0.00 0.00 178.83 180.07 2qu0 h LYS 132 N 0.39 0.72 0.36 1.46 1.57 -1.23 0.18 116.57 120.02 2qu0 h LYS 132 Ca 0.10 -0.04 -0.02 0.00 -1.87 0.00 0.00 60.65 58.82 2qu0 h LYS 132 Cb 0.41 -0.16 0.00 0.00 0.08 0.00 0.00 32.23 32.56 2qu0 h LYS 132 CO 0.01 0.48 -0.17 0.28 -0.57 0.00 0.00 179.45 179.48 2qu0 h VAL 133 N 0.74 0.61 -0.34 0.50 2.07 -1.35 -1.29 116.25 117.18 2qu0 h VAL 133 Ca 0.52 -0.49 -0.01 0.00 0.82 0.00 0.00 66.70 67.54 2qu0 h VAL 133 Cb 0.83 0.85 -0.02 0.00 -1.52 0.00 0.00 31.29 31.43 2qu0 h VAL 133 CO -0.29 0.09 0.19 -0.37 0.02 0.00 0.00 177.57 177.21 2qu0 h VAL 134 N -0.78 1.14 -0.97 2.57 -1.51 -0.59 0.25 116.25 116.36 2qu0 h VAL 134 Ca -0.05 -0.36 0.23 0.00 -1.23 0.00 0.00 66.70 65.29 2qu0 h VAL 134 Cb 0.52 0.75 -0.12 0.00 -2.13 0.00 0.00 31.29 30.31 2qu0 h VAL 134 CO 0.08 0.14 0.53 0.00 -1.23 0.00 0.00 177.57 177.10 2qu0 h ALA 135 N 1.05 1.67 -0.34 5.19 0.00 -0.75 0.18 119.26 126.26 2qu0 h ALA 135 Ca 0.12 0.13 -0.11 0.00 0.00 0.00 0.00 54.91 55.05 2qu0 h ALA 135 Cb 0.06 0.05 -0.01 0.00 0.00 0.00 0.00 17.79 17.89 2qu0 h ALA 135 CO -0.02 -0.28 -0.22 0.78 0.00 0.00 0.00 179.25 179.51 2qu0 h GLY 136 N 0.54 0.82 0.96 0.00 0.00 0.47 -0.17 103.07 105.69 2qu0 h GLY 136 Ca 0.61 -0.78 -0.06 0.00 0.00 0.00 0.00 47.33 47.11 2qu0 h GLY 136 CO -0.48 0.70 0.06 -2.08 0.00 0.00 0.00 176.54 174.74 2qu0 h VAL 137 N 0.53 1.25 0.10 4.60 2.07 0.48 -1.71 116.25 123.57 2qu0 h VAL 137 Ca 0.07 -0.92 -0.00 0.00 0.82 0.00 0.00 66.70 66.67 2qu0 h VAL 137 Cb 0.78 0.98 0.00 0.00 -1.52 0.00 0.00 31.29 31.53 2qu0 h VAL 137 CO 0.06 0.32 -0.05 0.00 0.02 0.00 0.00 177.57 177.92 2qu0 h ALA 138 N 0.94 -0.13 -0.56 1.67 0.00 -0.65 -0.71 119.26 119.82 2qu0 h ALA 138 Ca 0.13 -0.03 -0.01 0.00 0.00 0.00 0.00 54.91 55.00 2qu0 h ALA 138 Cb 0.40 0.05 -0.03 0.00 0.00 0.00 0.00 17.79 18.21 2qu0 h ALA 138 CO 0.01 -0.57 0.30 -0.91 0.00 0.00 0.00 179.25 178.08 2qu0 h ASN 139 N -0.14 0.68 0.85 0.00 4.21 -1.02 -2.58 115.58 117.58 2qu0 h ASN 139 Ca -0.01 -0.05 -0.16 0.00 1.21 0.00 0.00 56.30 57.29 2qu0 h ASN 139 Cb 0.11 -0.17 -0.02 0.00 -1.12 0.00 0.00 38.32 37.12 2qu0 h ASN 139 CO 0.02 0.55 -0.77 0.00 -1.29 0.00 0.00 177.43 175.94 2qu0 h ALA 140 N 1.56 0.68 0.29 -0.83 0.00 -1.17 -3.31 119.26 116.48 2qu0 h ALA 140 Ca 0.20 -0.70 -0.01 0.00 0.00 0.00 0.00 54.91 54.39 2qu0 h ALA 140 Cb 0.03 -0.12 0.00 0.00 0.00 0.00 0.00 17.79 17.70 2qu0 h ALA 140 CO -0.03 0.97 -0.14 -0.07 0.00 0.00 0.00 179.25 179.97 2qu0 h LEU 141 N 0.00 -0.33 -5.94 0.00 4.07 -0.75 -3.33 115.31 109.04 2qu0 h LEU 141 Ca -0.01 -0.20 -0.49 0.00 0.08 0.00 0.00 57.88 57.26 2qu0 h LEU 141 Cb 1.41 0.09 0.03 0.00 1.08 0.00 0.00 40.66 43.27 2qu0 h LEU 141 CO 0.10 0.09 2.40 0.00 -1.08 0.00 0.00 178.44 179.95 2qu0 n ALA 142 N -2.52 3.90 -0.12 1.53 0.00 -1.03 -4.25 120.51 118.03 2qu0 n ALA 142 Ca -0.09 -2.50 -0.24 0.00 0.00 0.00 0.00 53.44 50.61 2qu0 n ALA 142 Cb 0.27 -3.27 -0.08 0.00 0.00 0.00 0.00 19.45 16.36 2qu0 n ALA 142 CO 0.00 0.00 0.00 1.58 0.00 0.00 0.00 177.50 179.08 2qu0 n HIS 143 N 5.73 0.00 0.16 0.00 -0.00 -1.25 -3.95 115.22 115.91 2qu0 n HIS 143 Ca 0.45 0.00 0.03 0.00 0.46 0.00 0.00 57.72 58.66 2qu0 n HIS 143 Cb 0.25 -0.83 0.16 0.00 -0.12 0.00 0.00 29.99 29.46 2qu0 n HIS 143 CO 0.00 0.00 0.00 1.63 0.46 0.00 0.00 176.34 178.43 2qu0 n LYS 144 N -3.96 0.05 0.00 1.57 4.01 -1.26 -3.88 118.16 114.69 2qu0 n LYS 144 Ca -0.45 0.52 0.00 0.00 -0.51 0.00 0.00 58.31 57.87 2qu0 n LYS 144 Cb 0.83 -2.20 0.00 0.00 -0.51 0.00 0.00 35.03 33.15 2qu0 n LYS 144 CO 0.00 0.00 0.00 0.66 -1.11 0.00 0.00 177.40 176.95 2qu0 n TYR 145 N -1.89 0.00 1.12 2.13 4.01 -1.26 -5.04 117.16 116.24 2qu0 n TYR 145 Ca -0.00 0.00 0.09 0.00 -0.16 0.00 0.00 57.90 57.83 2qu0 n TYR 145 Cb 0.55 0.00 0.53 0.00 -0.31 0.00 0.00 39.34 40.12 2qu0 n TYR 145 CO 0.00 0.00 0.00 0.72 -0.46 0.00 0.00 176.86 177.12