#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2qqb n LEU 4 N 0.00 0.00 0.00 -2.67 4.32 -1.26 -4.93 117.00 112.46 2qqb n LEU 4 Ca 0.00 0.36 0.00 0.00 -0.02 0.00 0.00 56.01 56.35 2qqb n LEU 4 Cb 0.00 -0.36 0.00 0.00 -1.62 0.00 0.00 43.42 41.44 2qqb n LEU 4 CO 0.00 -0.18 0.00 0.52 -1.22 0.00 0.00 177.39 176.51 2qqb n VAL 5 N -1.36 0.00 -3.90 4.08 0.31 -1.26 -4.36 118.33 111.84 2qqb n VAL 5 Ca 0.06 0.00 -0.29 0.00 -0.01 0.00 0.00 64.34 64.09 2qqb n VAL 5 Cb 0.13 0.00 -0.16 0.00 -0.91 0.00 0.00 33.84 32.91 2qqb n VAL 5 CO 0.00 0.00 0.00 -0.62 -1.32 0.00 0.00 176.83 174.89 2qqb s ASP 6 N 0.00 3.42 0.01 4.52 -1.08 -1.26 -5.06 116.67 117.23 2qqb s ASP 6 Ca 0.00 -0.97 -0.25 0.00 -0.52 0.00 0.00 52.55 50.81 2qqb s ASP 6 Cb 0.00 -1.04 -0.18 0.00 -1.46 0.00 0.00 42.92 40.25 2qqb s ASP 6 CO 0.00 -0.22 1.34 0.74 0.52 0.00 0.00 175.17 177.55 2qqb h THR 7 N 6.55 0.97 -0.20 1.71 2.02 -2.01 -1.15 112.91 120.80 2qqb h THR 7 Ca -0.20 -0.66 0.04 0.00 0.77 0.00 0.00 66.41 66.35 2qqb h THR 7 Cb 1.09 1.36 -0.04 0.00 -1.74 0.00 0.00 68.15 68.83 2qqb h THR 7 CO 0.41 0.15 -0.02 0.74 0.37 0.00 0.00 175.52 177.16 2qqb h THR 8 N -0.54 0.83 -0.02 3.16 2.02 -1.97 -2.23 112.91 114.16 2qqb h THR 8 Ca -0.02 -0.01 -0.00 0.00 0.77 0.00 0.00 66.41 67.15 2qqb h THR 8 Cb 0.41 0.79 -0.00 0.00 -1.74 0.00 0.00 68.15 67.62 2qqb h THR 8 CO 0.04 0.01 0.01 -0.33 0.37 0.00 0.00 175.52 175.61 2qqb h GLU 9 N 0.03 0.02 -0.81 6.66 5.08 -1.91 -0.85 114.58 122.81 2qqb h GLU 9 Ca 0.10 -0.00 0.14 0.00 -1.00 0.00 0.00 59.36 58.59 2qqb h GLU 9 Cb 0.13 -0.00 -0.14 0.00 0.50 0.00 0.00 28.75 29.24 2qqb h GLU 9 CO -0.18 0.05 -0.28 0.00 -1.00 0.00 0.00 179.01 177.60 2qqb n ALA 10 N -2.11 -0.01 -0.10 3.43 0.00 -0.45 -0.90 120.51 120.36 2qqb n ALA 10 Ca -0.07 0.83 -0.07 0.00 0.00 0.00 0.00 53.44 54.13 2qqb n ALA 10 Cb 0.05 -0.41 0.10 0.00 0.00 0.00 0.00 19.45 19.19 2qqb n ALA 10 CO 0.00 0.00 0.00 1.88 0.00 0.00 0.00 177.50 179.38 2qqb h TYR 11 N 0.00 0.89 0.11 0.00 -1.99 -1.01 -1.09 116.97 113.89 2qqb h TYR 11 Ca 0.31 -0.18 -0.01 0.00 2.00 0.00 0.00 58.73 60.86 2qqb h TYR 11 Cb 0.51 -0.22 0.00 0.00 2.00 0.00 0.00 36.73 39.02 2qqb h TYR 11 CO -0.68 0.89 -0.05 -0.07 -0.00 0.00 0.00 178.16 178.25 2qqb h LEU 12 N 0.72 -0.13 -0.77 3.88 -0.00 -0.32 -1.68 115.31 117.01 2qqb h LEU 12 Ca 0.11 -0.22 -0.08 0.00 -0.00 0.00 0.00 57.88 57.69 2qqb h LEU 12 Cb 0.65 0.03 -0.02 0.00 -0.00 0.00 0.00 40.66 41.32 2qqb h LEU 12 CO 0.05 0.15 0.05 -0.09 -0.00 0.00 0.00 178.44 178.60 2qqb h ARG 13 N -0.42 0.99 0.14 1.13 1.12 -1.07 -1.40 114.38 114.87 2qqb h ARG 13 Ca -0.02 -0.27 0.02 0.00 -1.11 0.00 0.00 59.98 58.60 2qqb h ARG 13 Cb 0.34 -0.11 -0.03 0.00 -0.01 0.00 0.00 29.97 30.16 2qqb h ARG 13 CO 0.03 0.94 -0.27 1.15 -3.11 0.00 0.00 179.97 178.71 2qqb h THR 14 N 0.92 0.41 -0.60 0.20 2.02 -1.21 -1.14 112.91 113.51 2qqb h THR 14 Ca 0.18 0.00 0.05 0.00 0.77 0.00 0.00 66.41 67.41 2qqb h THR 14 Cb 0.46 0.41 -0.05 0.00 -1.74 0.00 0.00 68.15 67.23 2qqb h THR 14 CO 0.02 0.00 0.32 0.40 0.37 0.00 0.00 175.52 176.62 2qqb h ILE 15 N -0.50 0.95 -0.16 3.11 2.04 -1.16 -0.74 117.51 121.05 2qqb h ILE 15 Ca 0.02 -0.20 0.05 0.00 1.00 0.00 0.00 64.86 65.73 2qqb h ILE 15 Cb 0.51 0.31 -0.05 0.00 -0.74 0.00 0.00 36.82 36.85 2qqb h ILE 15 CO -0.14 0.11 -0.16 0.22 0.00 0.00 0.00 178.15 178.18 2qqb h TYR 16 N 0.59 -0.41 -0.50 1.37 5.03 -1.04 -1.43 116.97 120.59 2qqb h TYR 16 Ca 0.27 0.02 -0.06 0.00 2.58 0.00 0.00 58.73 61.54 2qqb h TYR 16 Cb 0.17 0.21 -0.02 0.00 1.55 0.00 0.00 36.73 38.63 2qqb h TYR 16 CO -0.09 -0.23 0.08 1.05 -1.32 0.00 0.00 178.16 177.65 2qqb h GLU 17 N -0.19 0.83 -0.39 1.82 4.11 -0.48 0.36 114.58 120.64 2qqb h GLU 17 Ca 0.11 -0.22 0.08 0.00 0.07 0.00 0.00 59.36 59.40 2qqb h GLU 17 Cb 0.34 -0.10 -0.09 0.00 0.50 0.00 0.00 28.75 29.40 2qqb h GLU 17 CO -0.27 0.82 -0.24 -0.07 0.07 0.00 0.00 179.01 179.32 2qqb h LEU 18 N 0.71 -0.82 -0.64 3.06 3.38 -1.11 -1.14 115.31 118.75 2qqb h LEU 18 Ca 0.15 0.17 0.12 0.00 0.09 0.00 0.00 57.88 58.41 2qqb h LEU 18 Cb 0.39 0.41 -0.09 0.00 0.09 0.00 0.00 40.66 41.47 2qqb h LEU 18 CO 0.01 -0.27 0.15 -0.33 0.09 0.00 0.00 178.44 178.09 2qqb h GLU 19 N -0.18 0.27 -0.20 1.13 5.08 -0.27 -0.35 114.58 120.07 2qqb h GLU 19 Ca 0.19 -0.02 -0.06 0.00 -1.00 0.00 0.00 59.36 58.48 2qqb h GLU 19 Cb 0.47 -0.06 -0.01 0.00 0.50 0.00 0.00 28.75 29.65 2qqb h GLU 19 CO -0.50 0.18 -0.13 0.93 -1.00 0.00 0.00 179.01 178.49 2qqb h GLU 20 N 0.28 0.32 -0.00 2.33 5.08 0.22 -2.24 114.58 120.56 2qqb h GLU 20 Ca 0.34 -0.08 0.00 0.00 -1.00 0.00 0.00 59.36 58.62 2qqb h GLU 20 Cb 0.52 -0.04 0.00 0.00 0.50 0.00 0.00 28.75 29.73 2qqb h GLU 20 CO -0.42 0.46 0.00 0.39 -1.00 0.00 0.00 179.01 178.43 2qqb n GLU 21 N -4.25 1.07 -1.02 2.33 1.02 -0.48 -4.79 120.64 114.52 2qqb n GLU 21 Ca -0.00 -0.10 -0.01 0.00 -0.02 0.00 0.00 57.16 57.03 2qqb n GLU 21 Cb 0.29 -1.46 -0.00 0.00 -0.02 0.00 0.00 31.44 30.24 2qqb n GLU 21 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 2qqb n GLY 22 N 0.98 0.40 3.82 0.62 0.00 -0.84 -3.45 105.19 106.72 2qqb n GLY 22 Ca 0.22 -0.08 -0.33 0.00 0.00 0.00 0.00 46.02 45.82 2qqb n GLY 22 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 2qqb s VAL 23 N -1.74 4.40 -0.13 1.61 1.01 -0.19 -4.72 120.40 120.65 2qqb s VAL 23 Ca 0.00 1.47 -0.28 0.00 0.00 0.00 0.00 61.98 63.17 2qqb s VAL 23 Cb 0.00 -3.62 -0.01 0.00 0.00 0.00 0.00 36.38 32.75 2qqb s VAL 23 CO 0.00 -0.29 0.94 -0.89 0.00 0.00 0.00 175.10 174.86 2qqb s THR 24 N -2.14 4.82 -1.14 3.92 2.01 -1.26 -3.93 115.64 117.91 2qqb s THR 24 Ca 0.61 1.89 -0.22 0.00 0.31 0.00 0.00 61.69 64.27 2qqb s THR 24 Cb -0.10 -4.25 -0.06 0.00 0.01 0.00 0.00 72.50 68.11 2qqb s THR 24 CO 0.14 0.02 1.90 -2.16 -0.69 0.00 0.00 174.62 173.82 2qqb s PRO 25 N 2.01 2.72 0.16 4.92 0.04 -1.26 -4.93 135.00 138.67 2qqb s PRO 25 Ca 0.45 -1.11 -0.11 0.00 0.04 0.00 0.00 61.00 60.26 2qqb s PRO 25 Cb -0.18 -5.25 -0.07 0.00 0.04 0.00 0.00 34.50 29.05 2qqb s PRO 25 CO 0.16 -3.61 0.50 -0.51 0.04 0.00 0.00 177.00 173.58 2qqb s LEU 26 N 9.83 4.28 0.24 -3.56 1.43 -1.26 -0.57 118.68 129.06 2qqb s LEU 26 Ca 0.66 0.92 -0.06 0.00 -1.03 0.00 0.00 54.13 54.62 2qqb s LEU 26 Cb -0.01 -3.34 0.43 0.00 0.03 0.00 0.00 46.19 43.30 2qqb s LEU 26 CO 0.09 0.06 1.69 0.03 0.23 0.00 0.00 176.35 178.45 2qqb h ARG 27 N 3.19 0.27 -0.04 1.70 3.08 -1.92 0.18 114.38 120.84 2qqb h ARG 27 Ca -0.48 -0.02 -0.05 0.00 0.07 0.00 0.00 59.98 59.50 2qqb h ARG 27 Cb 1.18 -0.06 -0.01 0.00 0.08 0.00 0.00 29.97 31.16 2qqb h ARG 27 CO 0.68 0.18 -0.21 0.00 -1.07 0.00 0.00 179.97 179.54 2qqb h ALA 28 N 1.58 1.57 -0.09 0.04 0.00 -1.96 0.12 119.26 120.52 2qqb h ALA 28 Ca 0.40 -0.22 -0.03 0.00 0.00 0.00 0.00 54.91 55.06 2qqb h ALA 28 Cb 0.66 -0.05 -0.00 0.00 0.00 0.00 0.00 17.79 18.40 2qqb h ALA 28 CO -0.48 0.32 -0.08 0.00 0.00 0.00 0.00 179.25 179.01 2qqb h ARG 29 N 0.06 0.21 0.05 0.00 2.47 -1.47 -1.18 114.38 114.51 2qqb h ARG 29 Ca 0.01 -0.11 -0.00 0.00 -1.26 0.00 0.00 59.98 58.62 2qqb h ARG 29 Cb 0.42 0.00 0.00 0.00 -1.65 0.00 0.00 29.97 28.74 2qqb h ARG 29 CO 0.03 0.62 -0.02 0.82 0.56 0.00 0.00 179.97 181.98 2qqb h ILE 30 N -0.19 0.98 -0.50 2.04 2.04 -0.61 -0.03 117.51 121.25 2qqb h ILE 30 Ca 0.02 -0.08 0.10 0.00 1.00 0.00 0.00 64.86 65.90 2qqb h ILE 30 Cb 0.57 1.04 -0.10 0.00 -0.74 0.00 0.00 36.82 37.59 2qqb h ILE 30 CO 0.02 0.02 -0.17 0.00 0.00 0.00 0.00 178.15 178.03 2qqb h ALA 31 N 0.86 0.25 -0.45 1.87 0.00 -0.74 -0.88 119.26 120.17 2qqb h ALA 31 Ca -0.01 0.19 0.02 0.00 0.00 0.00 0.00 54.91 55.11 2qqb h ALA 31 Cb 0.08 0.45 -0.03 0.00 0.00 0.00 0.00 17.79 18.29 2qqb h ALA 31 CO 0.01 -0.49 0.27 1.49 0.00 0.00 0.00 179.25 180.53 2qqb h GLU 32 N -0.05 0.53 -0.23 0.00 4.81 -0.88 0.10 114.58 118.88 2qqb h GLU 32 Ca 0.24 -0.03 -0.07 0.00 -0.13 0.00 0.00 59.36 59.37 2qqb h GLU 32 Cb 0.41 -0.12 -0.01 0.00 0.63 0.00 0.00 28.75 29.66 2qqb h GLU 32 CO -0.54 0.35 -0.16 -0.09 -0.73 0.00 0.00 179.01 177.84 2qqb h ARG 33 N 0.55 0.38 -0.02 1.92 9.65 -0.08 -2.75 114.38 124.04 2qqb h ARG 33 Ca 0.18 -0.11 0.00 0.00 -1.10 0.00 0.00 59.98 58.94 2qqb h ARG 33 Cb -0.01 -0.04 0.00 0.00 -1.39 0.00 0.00 29.97 28.53 2qqb h ARG 33 CO -0.07 0.54 -0.13 1.28 2.80 0.00 0.00 179.97 184.39 2qqb n LEU 34 N -4.20 1.86 -3.87 3.80 4.77 -0.43 -4.93 117.00 114.00 2qqb n LEU 34 Ca -0.00 -0.61 -0.30 0.00 -0.03 0.00 0.00 56.01 55.06 2qqb n LEU 34 Cb 0.33 -0.03 0.01 0.00 -2.33 0.00 0.00 43.42 41.39 2qqb n LEU 34 CO 0.40 0.32 -0.17 -1.84 -1.33 0.00 0.00 177.39 174.77 2qqb n GLU 35 N 0.26 -2.14 -4.59 3.23 0.28 -0.63 -5.02 120.64 112.03 2qqb n GLU 35 Ca 0.15 0.38 -0.27 0.00 -0.16 0.00 0.00 57.16 57.26 2qqb n GLU 35 Cb 0.43 -4.15 -0.11 0.00 1.43 0.00 0.00 31.44 29.05 2qqb n GLU 35 CO 0.00 0.00 0.00 -0.65 -0.16 0.00 0.00 177.13 176.32 2qqb s GLN 36 N -6.45 1.91 0.44 3.44 -1.52 0.27 -5.04 119.66 112.71 2qqb s GLN 36 Ca 0.23 -2.09 -0.11 0.00 -1.95 0.00 0.00 55.36 51.44 2qqb s GLN 36 Cb -0.09 -1.44 -0.06 0.00 -0.22 0.00 0.00 33.01 31.19 2qqb s GLN 36 CO 0.89 -0.11 0.83 -1.54 -0.25 0.00 0.00 175.29 175.10 2qqb s SER 37 N -3.67 6.52 0.07 5.90 1.04 -1.26 -4.32 113.70 117.97 2qqb s SER 37 Ca 0.33 1.22 -0.33 0.00 0.48 0.00 0.00 55.95 57.65 2qqb s SER 37 Cb 0.09 -2.36 -0.19 0.00 0.10 0.00 0.00 66.02 63.65 2qqb s SER 37 CO 0.16 -0.47 1.62 1.23 0.98 0.00 0.00 173.24 176.77 2qqb h GLY 38 N 1.06 -1.00 1.90 7.32 0.00 -1.93 -0.24 103.07 110.19 2qqb h GLY 38 Ca -0.47 0.37 -0.03 0.00 0.00 0.00 0.00 47.33 47.20 2qqb h GLY 38 CO 0.63 -0.36 -0.09 -2.55 0.00 0.00 0.00 176.54 174.17 2qqb h PRO 39 N -0.95 0.12 -0.40 4.80 0.11 -1.99 0.11 132.00 133.79 2qqb h PRO 39 Ca -0.10 -0.02 -0.07 0.00 0.11 0.00 0.00 66.00 65.93 2qqb h PRO 39 Cb 0.73 -0.02 -0.02 0.00 0.11 0.00 0.00 31.00 31.80 2qqb h PRO 39 CO 0.16 0.22 -0.02 1.15 -0.21 0.00 0.00 178.00 179.29 2qqb h THR 40 N 0.12 1.23 -0.27 -1.15 2.02 -1.90 -2.37 112.91 110.59 2qqb h THR 40 Ca 0.03 -0.95 -0.05 0.00 0.77 0.00 0.00 66.41 66.21 2qqb h THR 40 Cb 0.24 0.95 -0.01 0.00 -1.74 0.00 0.00 68.15 67.59 2qqb h THR 40 CO 0.01 0.33 -0.04 0.58 0.37 0.00 0.00 175.52 176.77 2qqb h VAL 41 N 0.62 1.27 -0.45 3.16 2.07 0.99 -2.20 116.25 121.70 2qqb h VAL 41 Ca 0.12 -1.02 0.07 0.00 0.82 0.00 0.00 66.70 66.69 2qqb h VAL 41 Cb 0.43 1.40 -0.06 0.00 -1.52 0.00 0.00 31.29 31.54 2qqb h VAL 41 CO 0.02 0.32 0.13 -1.28 0.02 0.00 0.00 177.57 176.78 2qqb h SER 42 N 0.26 0.10 -0.60 0.57 0.87 -0.95 -1.14 113.55 112.66 2qqb h SER 42 Ca 0.07 0.06 0.04 0.00 -1.23 0.00 0.00 61.79 60.74 2qqb h SER 42 Cb 0.49 0.07 -0.04 0.00 -0.44 0.00 0.00 62.40 62.48 2qqb h SER 42 CO 0.02 0.09 0.34 1.56 -0.53 0.00 0.00 176.83 178.31 2qqb h GLN 43 N 0.29 0.64 -0.49 2.24 4.20 -1.12 0.12 115.11 120.99 2qqb h GLN 43 Ca 0.22 -0.04 -0.08 0.00 0.06 0.00 0.00 58.65 58.81 2qqb h GLN 43 Cb 0.25 -0.15 -0.02 0.00 0.30 0.00 0.00 27.48 27.87 2qqb h GLN 43 CO -0.25 0.43 -0.01 1.15 -0.67 0.00 0.00 178.83 179.47 2qqb h THR 44 N 0.66 1.26 -0.26 -0.54 2.02 -0.98 -2.90 112.91 112.17 2qqb h THR 44 Ca 0.26 -1.10 -0.01 0.00 0.77 0.00 0.00 66.41 66.33 2qqb h THR 44 Cb 0.10 1.00 -0.01 0.00 -1.74 0.00 0.00 68.15 67.49 2qqb h THR 44 CO -0.14 0.38 0.13 0.58 0.37 0.00 0.00 175.52 176.85 2qqb h VAL 45 N 0.73 1.14 -0.82 3.16 2.07 -0.57 0.85 116.25 122.81 2qqb h VAL 45 Ca 0.14 -0.38 0.08 0.00 0.82 0.00 0.00 66.70 67.35 2qqb h VAL 45 Cb 0.54 0.92 -0.11 0.00 -1.52 0.00 0.00 31.29 31.11 2qqb h VAL 45 CO 0.03 0.14 -0.57 0.00 0.02 0.00 0.00 177.57 177.18 2qqb h ALA 46 N 1.00 -0.59 -0.69 1.67 0.00 -0.72 0.16 119.26 120.09 2qqb h ALA 46 Ca 0.09 0.09 -0.02 0.00 0.00 0.00 0.00 54.91 55.07 2qqb h ALA 46 Cb 0.10 1.28 -0.03 0.00 0.00 0.00 0.00 17.79 19.14 2qqb h ALA 46 CO -0.01 -0.98 0.34 -0.09 0.00 0.00 0.00 179.25 178.51 2qqb h ARG 47 N -0.12 0.97 -0.61 0.00 9.65 -1.28 -2.34 114.38 120.65 2qqb h ARG 47 Ca 0.14 -0.13 -0.04 0.00 -1.10 0.00 0.00 59.98 58.86 2qqb h ARG 47 Cb 0.47 -0.19 -0.03 0.00 -1.39 0.00 0.00 29.97 28.84 2qqb h ARG 47 CO -0.84 0.75 0.23 0.52 2.80 0.00 0.00 179.97 183.43 2qqb h MET 48 N 0.97 0.90 0.49 0.20 2.86 -0.20 -1.17 114.93 118.99 2qqb h MET 48 Ca 0.24 -0.15 -0.02 0.00 -2.06 0.00 0.00 59.70 57.71 2qqb h MET 48 Cb 0.08 -0.15 -0.01 0.00 0.06 0.00 0.00 31.60 31.58 2qqb h MET 48 CO -0.03 0.75 -0.38 0.93 1.06 0.00 0.00 176.91 179.24 2qqb h GLU 49 N 0.89 -0.80 -0.81 1.72 5.08 -0.34 0.10 114.58 120.41 2qqb h GLU 49 Ca 0.21 0.05 0.20 0.00 -1.00 0.00 0.00 59.36 58.82 2qqb h GLU 49 Cb 0.19 0.18 -0.15 0.00 0.50 0.00 0.00 28.75 29.47 2qqb h GLU 49 CO -0.02 -0.54 -0.06 -2.13 -1.00 0.00 0.00 179.01 175.26 2qqb n ARG 50 N -4.73 -0.07 0.10 2.33 0.63 -0.91 -0.54 116.66 113.48 2qqb n ARG 50 Ca -0.10 1.23 0.13 0.00 -0.92 0.00 0.00 57.85 58.19 2qqb n ARG 50 Cb 0.36 -1.92 0.44 0.00 0.45 0.00 0.00 32.46 31.80 2qqb n ARG 50 CO 0.00 0.00 0.00 -0.25 -2.51 0.00 0.00 177.63 174.87 2qqb n ASP 51 N -5.22 0.70 0.00 6.15 8.00 -0.45 -4.96 116.55 120.78 2qqb n ASP 51 Ca 0.17 0.60 0.00 0.00 0.71 0.00 0.00 54.79 56.27 2qqb n ASP 51 Cb 0.54 -0.78 0.00 0.00 -0.02 0.00 0.00 41.12 40.87 2qqb n ASP 51 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 2qqb n GLY 52 N 0.86 0.77 0.04 0.44 0.00 0.30 -4.97 105.19 102.63 2qqb n GLY 52 Ca 0.04 -0.27 0.11 0.00 0.00 0.00 0.00 46.02 45.90 2qqb n GLY 52 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 2qqb n LEU 53 N 0.00 0.60 -3.64 0.99 4.77 0.20 -4.51 117.00 115.40 2qqb n LEU 53 Ca 0.00 0.02 -0.15 0.00 -0.03 0.00 0.00 56.01 55.85 2qqb n LEU 53 Cb 0.00 -0.09 -0.08 0.00 -2.33 0.00 0.00 43.42 40.92 2qqb n LEU 53 CO 0.00 0.02 0.29 0.54 -1.33 0.00 0.00 177.39 176.91 2qqb s VAL 54 N -3.23 0.01 0.07 4.08 0.11 -1.24 -1.97 120.40 118.23 2qqb s VAL 54 Ca 0.03 -0.06 0.08 0.00 -2.93 0.00 0.00 61.98 59.10 2qqb s VAL 54 Cb 0.14 -0.85 -0.03 0.00 -1.53 0.00 0.00 36.38 34.11 2qqb s VAL 54 CO 0.80 -0.03 -0.22 0.68 -3.33 0.00 0.00 175.10 173.01 2qqb s VAL 55 N -0.28 1.75 -0.42 2.04 -7.23 0.36 -4.20 120.40 112.42 2qqb s VAL 55 Ca -0.05 -1.35 -0.17 0.00 -1.81 0.00 0.00 61.98 58.61 2qqb s VAL 55 Cb -0.03 -1.54 0.02 0.00 0.56 0.00 0.00 36.38 35.39 2qqb s VAL 55 CO 0.04 0.13 0.43 -0.69 -0.31 0.00 0.00 175.10 174.70 2qqb s VAL 56 N -0.92 5.09 0.60 1.32 1.01 -1.26 0.87 120.40 127.11 2qqb s VAL 56 Ca 0.08 -0.36 -0.09 0.00 0.00 0.00 0.00 61.98 61.61 2qqb s VAL 56 Cb -0.09 -4.03 -0.02 0.00 0.00 0.00 0.00 36.38 32.23 2qqb s VAL 56 CO 0.03 -0.42 0.97 0.00 0.00 0.00 0.00 175.10 175.68 2qqb s ALA 57 N 2.12 3.15 0.04 5.51 0.00 -0.69 -4.88 121.76 127.01 2qqb s ALA 57 Ca 0.12 -0.29 -0.08 0.00 0.00 0.00 0.00 51.96 51.71 2qqb s ALA 57 Cb -0.17 -2.91 -0.02 0.00 0.00 0.00 0.00 23.12 20.02 2qqb s ALA 57 CO 0.13 -0.70 0.57 0.43 0.00 0.00 0.00 175.76 176.19 2qqb n SER 58 N -2.67 -0.28 0.00 0.00 7.64 -1.26 0.13 113.62 117.18 2qqb n SER 58 Ca 0.05 0.63 0.07 0.00 1.01 0.00 0.00 58.87 60.63 2qqb n SER 58 Cb 0.55 -0.14 0.42 0.00 -1.01 0.00 0.00 64.21 64.03 2qqb n SER 58 CO 0.00 0.00 0.00 -0.90 -3.01 0.00 0.00 175.04 171.13 2qqb n ASP 59 N -3.72 0.00 0.00 6.43 3.85 -1.26 -4.81 116.55 117.04 2qqb n ASP 59 Ca 0.01 -0.95 0.00 0.00 -0.71 0.00 0.00 54.79 53.14 2qqb n ASP 59 Cb 0.07 0.00 0.00 0.00 -1.35 0.00 0.00 41.12 39.84 2qqb n ASP 59 CO 0.00 0.00 0.00 0.54 -1.01 0.00 0.00 177.20 176.73 2qqb n ARG 60 N -0.82 0.00 -2.11 0.11 5.12 0.34 -5.03 116.66 114.28 2qqb n ARG 60 Ca 0.11 0.00 -0.41 0.00 -1.93 0.00 0.00 57.85 55.62 2qqb n ARG 60 Cb 0.05 -2.94 -0.02 0.00 -1.16 0.00 0.00 32.46 28.39 2qqb n ARG 60 CO 0.00 0.00 0.00 -1.54 -1.93 0.00 0.00 177.63 174.16 2qqb s SER 61 N -2.06 6.77 -0.11 0.55 1.04 -1.26 -4.43 113.70 114.21 2qqb s SER 61 Ca 0.00 2.65 -0.30 0.00 0.48 0.00 0.00 55.95 58.79 2qqb s SER 61 Cb 0.00 -2.64 -0.01 0.00 0.10 0.00 0.00 66.02 63.47 2qqb s SER 61 CO 0.00 -0.56 1.01 -0.76 0.98 0.00 0.00 173.24 173.92 2qqb s LEU 62 N -1.38 4.24 -0.30 2.42 1.43 0.26 -1.71 118.68 123.66 2qqb s LEU 62 Ca 0.51 1.54 -0.04 0.00 -1.03 0.00 0.00 54.13 55.11 2qqb s LEU 62 Cb -0.40 -3.56 0.04 0.00 0.03 0.00 0.00 46.19 42.30 2qqb s LEU 62 CO 0.50 -0.46 0.02 -1.10 0.23 0.00 0.00 176.35 175.55 2qqb s GLN 63 N 2.04 2.64 0.20 1.70 -0.21 0.25 -4.80 119.66 121.49 2qqb s GLN 63 Ca 0.48 -1.13 -0.30 0.00 0.02 0.00 0.00 55.36 54.43 2qqb s GLN 63 Cb -0.18 -3.24 -0.08 0.00 1.00 0.00 0.00 33.01 30.51 2qqb s GLN 63 CO 0.18 -0.56 1.25 -1.64 -2.12 0.00 0.00 175.29 172.40 2qqb s MET 64 N 1.34 4.44 0.75 2.91 -1.94 -1.26 -0.49 119.30 125.05 2qqb s MET 64 Ca -0.02 1.97 -0.14 0.00 -1.71 0.00 0.00 55.69 55.79 2qqb s MET 64 Cb -0.19 -3.21 0.05 0.00 2.01 0.00 0.00 34.83 33.49 2qqb s MET 64 CO -0.00 -0.17 1.16 0.95 -0.01 0.00 0.00 175.02 176.95 2qqb s THR 65 N -0.01 2.58 0.32 2.05 -4.23 -0.83 -4.71 115.64 110.80 2qqb s THR 65 Ca 0.54 0.25 0.10 0.00 -1.18 0.00 0.00 61.69 61.40 2qqb s THR 65 Cb -0.35 -2.70 0.32 0.00 1.34 0.00 0.00 72.50 71.11 2qqb s THR 65 CO 0.38 -0.19 1.67 -0.65 -0.54 0.00 0.00 174.62 175.30 2qqb h PRO 66 N -0.61 0.34 -0.23 3.99 0.11 -1.91 0.16 132.00 133.86 2qqb h PRO 66 Ca -0.46 -0.02 -0.01 0.00 0.11 0.00 0.00 66.00 65.62 2qqb h PRO 66 Cb 1.27 -0.08 -0.01 0.00 0.11 0.00 0.00 31.00 32.29 2qqb h PRO 66 CO 0.49 0.23 0.10 1.15 -0.21 0.00 0.00 178.00 179.76 2qqb h THR 67 N 0.35 1.16 -0.72 -1.15 2.02 -1.91 0.49 112.91 113.16 2qqb h THR 67 Ca 0.66 -0.47 0.13 0.00 0.77 0.00 0.00 66.41 67.49 2qqb h THR 67 Cb 1.40 1.05 -0.09 0.00 -1.74 0.00 0.00 68.15 68.77 2qqb h THR 67 CO -0.59 0.16 0.29 1.23 0.37 0.00 0.00 175.52 176.98 2qqb h GLY 68 N 0.22 1.06 1.77 2.16 0.00 -1.51 -0.59 103.07 106.18 2qqb h GLY 68 Ca 0.08 -0.15 -0.20 0.00 0.00 0.00 0.00 47.33 47.06 2qqb h GLY 68 CO -0.01 -0.06 -0.88 -0.09 0.00 0.00 0.00 176.54 175.50 2qqb h ARG 69 N 0.45 0.21 -0.08 4.80 2.43 -0.31 -0.94 114.38 120.93 2qqb h ARG 69 Ca 0.38 -0.23 -0.00 0.00 -0.81 0.00 0.00 59.98 59.32 2qqb h ARG 69 Cb 0.54 0.07 -0.00 0.00 -0.42 0.00 0.00 29.97 30.15 2qqb h ARG 69 CO -0.37 0.96 0.04 1.15 -1.51 0.00 0.00 179.97 180.25 2qqb h THR 70 N 0.11 1.10 0.55 0.20 2.02 -0.43 -1.16 112.91 115.31 2qqb h THR 70 Ca -0.05 -0.29 -0.02 0.00 0.77 0.00 0.00 66.41 66.82 2qqb h THR 70 Cb 1.52 1.15 -0.02 0.00 -1.74 0.00 0.00 68.15 69.06 2qqb h THR 70 CO 0.14 0.09 -0.51 0.25 0.37 0.00 0.00 175.52 175.85 2qqb h LEU 71 N 0.02 -1.39 -0.95 2.58 5.85 -1.04 -2.27 115.31 118.10 2qqb h LEU 71 Ca 0.03 0.11 0.29 0.00 0.84 0.00 0.00 57.88 59.14 2qqb h LEU 71 Cb 0.11 0.45 -0.16 0.00 0.37 0.00 0.00 40.66 41.42 2qqb h LEU 71 CO -0.00 -0.69 0.22 0.00 -0.34 0.00 0.00 178.44 177.63 2qqb h ALA 72 N -0.93 1.42 -0.17 1.25 0.00 -1.10 0.33 119.26 120.05 2qqb h ALA 72 Ca -0.07 0.28 -0.01 0.00 0.00 0.00 0.00 54.91 55.11 2qqb h ALA 72 Cb 0.90 0.42 -0.01 0.00 0.00 0.00 0.00 17.79 19.10 2qqb h ALA 72 CO -0.04 -0.60 0.06 1.15 0.00 0.00 0.00 179.25 179.82 2qqb h THR 73 N 0.10 1.17 0.38 0.00 2.02 -1.03 -0.17 112.91 115.38 2qqb h THR 73 Ca 0.63 -0.51 -0.01 0.00 0.77 0.00 0.00 66.41 67.29 2qqb h THR 73 Cb 1.38 1.18 -0.01 0.00 -1.74 0.00 0.00 68.15 68.97 2qqb h THR 73 CO -0.78 0.16 -0.27 0.00 0.37 0.00 0.00 175.52 175.00 2qqb h ALA 74 N 0.90 -0.64 -0.45 6.16 0.00 -0.28 0.31 119.26 125.25 2qqb h ALA 74 Ca 0.06 -0.12 0.09 0.00 0.00 0.00 0.00 54.91 54.94 2qqb h ALA 74 Cb 0.19 0.36 -0.09 0.00 0.00 0.00 0.00 17.79 18.24 2qqb h ALA 74 CO -0.00 -0.88 -0.21 0.28 0.00 0.00 0.00 179.25 178.44 2qqb h VAL 75 N -0.65 0.38 -0.78 0.00 2.07 -0.46 -1.43 116.25 115.38 2qqb h VAL 75 Ca -0.03 0.00 0.04 0.00 0.82 0.00 0.00 66.70 67.52 2qqb h VAL 75 Cb 0.55 0.38 -0.05 0.00 -1.52 0.00 0.00 31.29 30.65 2qqb h VAL 75 CO 0.01 0.00 0.49 -0.03 0.02 0.00 0.00 177.57 178.06 2qqb h MET 76 N -0.11 0.91 -0.29 1.57 4.05 -0.68 -0.97 114.93 119.40 2qqb h MET 76 Ca 0.22 -0.05 -0.01 0.00 -0.28 0.00 0.00 59.70 59.57 2qqb h MET 76 Cb 0.45 -0.20 -0.01 0.00 -0.80 0.00 0.00 31.60 31.03 2qqb h MET 76 CO -0.53 0.60 0.14 -0.09 0.23 0.00 0.00 176.91 177.27 2qqb h ARG 77 N 0.94 0.42 -0.82 0.39 2.43 -0.71 -1.06 114.38 115.96 2qqb h ARG 77 Ca 0.32 -0.06 0.08 0.00 -0.81 0.00 0.00 59.98 59.51 2qqb h ARG 77 Cb 0.05 -0.08 -0.07 0.00 -0.42 0.00 0.00 29.97 29.46 2qqb h ARG 77 CO -0.13 0.40 0.48 0.87 -1.51 0.00 0.00 179.97 180.08 2qqb h LYS 78 N 0.34 0.81 0.07 0.20 1.57 -1.06 -1.74 116.57 116.76 2qqb h LYS 78 Ca 0.10 -0.05 -0.00 0.00 -1.87 0.00 0.00 60.65 58.83 2qqb h LYS 78 Cb 0.11 -0.18 0.00 0.00 0.08 0.00 0.00 32.23 32.24 2qqb h LYS 78 CO -0.01 0.53 -0.03 1.25 -0.57 0.00 0.00 179.45 180.62 2qqb h HIS 79 N 0.83 -0.09 -0.45 -1.35 2.76 -0.98 -1.03 115.15 114.84 2qqb h HIS 79 Ca 0.38 -0.00 -0.04 0.00 -2.20 0.00 0.00 60.37 58.51 2qqb h HIS 79 Cb 0.29 0.03 -0.02 0.00 1.55 0.00 0.00 27.41 29.27 2qqb h HIS 79 CO -0.05 0.18 0.11 0.00 -1.30 0.00 0.00 177.93 176.87 2qqb h ARG 80 N -0.35 0.72 -0.01 5.26 3.08 -1.08 -1.82 114.38 120.17 2qqb h ARG 80 Ca -0.01 -0.17 -0.05 0.00 0.07 0.00 0.00 59.98 59.82 2qqb h ARG 80 Cb 0.31 -0.09 -0.01 0.00 0.08 0.00 0.00 29.97 30.26 2qqb h ARG 80 CO 0.02 0.72 -0.23 -0.07 -1.07 0.00 0.00 179.97 179.33 2qqb h LEU 81 N 0.59 0.02 -0.25 3.04 -0.00 -1.34 -1.95 115.31 115.42 2qqb h LEU 81 Ca 0.14 -0.00 -0.06 0.00 -0.00 0.00 0.00 57.88 57.96 2qqb h LEU 81 Cb 0.32 -0.00 -0.01 0.00 -0.00 0.00 0.00 40.66 40.97 2qqb h LEU 81 CO 0.00 0.25 -0.08 0.00 -0.00 0.00 0.00 178.44 178.62 2qqb h ALA 82 N 1.75 0.35 -0.40 1.53 0.00 -0.75 0.04 119.26 121.78 2qqb h ALA 82 Ca 0.00 -0.28 0.07 0.00 0.00 0.00 0.00 54.91 54.70 2qqb h ALA 82 Cb 0.42 -0.09 -0.06 0.00 0.00 0.00 0.00 17.79 18.06 2qqb h ALA 82 CO 0.03 0.17 0.04 0.93 0.00 0.00 0.00 179.25 180.42 2qqb h GLU 83 N 0.24 0.15 -0.30 0.00 5.08 -1.08 0.71 114.58 119.38 2qqb h GLU 83 Ca 0.06 -0.01 0.01 0.00 -1.00 0.00 0.00 59.36 58.42 2qqb h GLU 83 Cb 0.56 -0.03 -0.02 0.00 0.50 0.00 0.00 28.75 29.75 2qqb h GLU 83 CO 0.03 0.10 0.18 0.00 -1.00 0.00 0.00 179.01 178.32 2qqb h ARG 84 N 0.15 0.36 0.00 2.33 2.47 -1.32 -0.14 114.38 118.25 2qqb h ARG 84 Ca 0.20 -0.02 0.00 0.00 -1.26 0.00 0.00 59.98 58.90 2qqb h ARG 84 Cb 0.27 -0.08 -0.00 0.00 -1.65 0.00 0.00 29.97 28.50 2qqb h ARG 84 CO -0.30 0.24 -0.01 1.25 0.56 0.00 0.00 179.97 181.71 2qqb h LEU 85 N 0.37 -0.04 -0.50 3.04 5.85 -0.38 0.52 115.31 124.17 2qqb h LEU 85 Ca 0.11 0.01 0.07 0.00 0.84 0.00 0.00 57.88 58.91 2qqb h LEU 85 Cb -0.02 0.02 -0.06 0.00 0.37 0.00 0.00 40.66 40.97 2qqb h LEU 85 CO -0.04 -0.02 0.18 -0.07 -0.34 0.00 0.00 178.44 178.15 2qqb h LEU 86 N -0.03 0.19 0.01 2.25 3.38 0.62 -2.47 115.31 119.28 2qqb h LEU 86 Ca 0.01 0.06 -0.00 0.00 0.09 0.00 0.00 57.88 58.03 2qqb h LEU 86 Cb 0.03 0.04 0.00 0.00 0.09 0.00 0.00 40.66 40.82 2qqb h LEU 86 CO -0.01 0.14 -0.01 0.00 0.09 0.00 0.00 178.44 178.65 2qqb h THR 87 N 0.37 1.24 -0.36 0.22 1.03 -0.83 0.99 112.91 115.56 2qqb h THR 87 Ca 0.24 -1.87 -0.10 0.00 -0.01 0.00 0.00 66.41 64.67 2qqb h THR 87 Cb 0.25 2.32 -0.02 0.00 -1.07 0.00 0.00 68.15 69.63 2qqb h THR 87 CO -0.24 0.41 -0.19 0.44 -0.01 0.00 0.00 175.52 175.93 2qqb h ASP 88 N -0.97 0.69 0.00 0.00 3.32 -0.06 -3.23 116.42 116.16 2qqb h ASP 88 Ca -0.00 -0.23 0.00 0.00 0.02 0.00 0.00 57.03 56.82 2qqb h ASP 88 Cb 0.69 -0.19 0.00 0.00 0.22 0.00 0.00 39.33 40.05 2qqb h ASP 88 CO 0.00 0.88 -0.16 -0.38 -1.72 0.00 0.00 179.24 177.86 2qqb n ILE 89 N -4.13 1.14 0.11 0.35 5.41 -1.08 -4.69 119.36 116.46 2qqb n ILE 89 Ca 0.00 0.33 0.04 0.00 1.00 0.00 0.00 62.75 64.12 2qqb n ILE 89 Cb 0.40 -1.65 0.44 0.00 -0.71 0.00 0.00 39.64 38.11 2qqb n ILE 89 CO 0.00 0.00 0.00 0.40 0.00 0.00 0.00 176.55 176.95 2qqb h ILE 90 N -0.16 1.13 -1.24 1.39 2.04 -1.48 -3.47 117.51 115.72 2qqb h ILE 90 Ca 0.00 -0.52 -0.19 0.00 1.00 0.00 0.00 64.86 65.16 2qqb h ILE 90 Cb 0.16 1.01 -0.02 0.00 -0.74 0.00 0.00 36.82 37.23 2qqb h ILE 90 CO 0.00 0.17 -0.23 0.61 0.00 0.00 0.00 178.15 178.70 2qqb n GLY 91 N -1.12 0.09 3.78 5.37 0.00 0.22 -4.99 105.19 108.53 2qqb n GLY 91 Ca -0.00 -0.51 -0.41 0.00 0.00 0.00 0.00 46.02 45.10 2qqb n GLY 91 CO 0.00 0.00 0.00 -2.27 0.00 0.00 0.00 173.32 171.05 2qqb s LEU 92 N -2.62 4.32 -0.14 0.99 2.96 -0.49 -4.87 118.68 118.83 2qqb s LEU 92 Ca 0.00 3.04 -0.37 0.00 -0.22 0.00 0.00 54.13 56.58 2qqb s LEU 92 Cb 0.00 -3.67 -0.14 0.00 0.50 0.00 0.00 46.19 42.89 2qqb s LEU 92 CO 0.00 -0.87 1.77 -0.67 -1.32 0.00 0.00 176.35 175.25 2qqb n ASP 93 N 0.57 2.85 -0.37 3.68 2.03 -1.26 -4.67 116.55 119.38 2qqb n ASP 93 Ca 0.01 1.03 0.32 0.00 0.52 0.00 0.00 54.79 56.68 2qqb n ASP 93 Cb 0.39 -1.26 0.58 0.00 -0.72 0.00 0.00 41.12 40.11 2qqb n ASP 93 CO 0.00 0.00 0.00 -0.29 -1.92 0.00 0.00 177.20 174.99 2qqb h ILE 94 N 5.10 0.12 0.00 5.18 6.09 -1.97 0.25 117.51 132.28 2qqb h ILE 94 Ca -0.47 -0.04 -0.00 0.00 -1.37 0.00 0.00 64.86 62.98 2qqb h ILE 94 Cb 1.30 -0.00 -0.00 0.00 0.47 0.00 0.00 36.82 38.58 2qqb h ILE 94 CO 0.94 0.02 -0.00 0.78 -3.07 0.00 0.00 178.15 176.82 2qqb h ASN 95 N 0.12 0.00 -0.01 2.19 2.35 -2.03 -2.88 115.58 115.31 2qqb h ASN 95 Ca 0.81 0.00 0.00 0.00 -0.55 0.00 0.00 56.30 56.56 2qqb h ASN 95 Cb 2.24 0.00 0.00 0.00 0.05 0.00 0.00 38.32 40.61 2qqb h ASN 95 CO -0.59 0.00 -0.36 0.29 -1.65 0.00 0.00 177.43 175.12 2qqb n LYS 96 N -3.22 2.05 -0.19 0.81 5.02 0.85 -4.71 118.16 118.78 2qqb n LYS 96 Ca -0.03 -0.56 -0.03 0.00 -2.02 0.00 0.00 58.31 55.68 2qqb n LYS 96 Cb 0.09 -1.18 0.07 0.00 -0.02 0.00 0.00 35.03 33.99 2qqb n LYS 96 CO 0.00 0.00 0.00 0.28 -0.52 0.00 0.00 177.40 177.16 2qqb h VAL 97 N 1.16 0.93 -0.07 -0.18 2.07 -1.26 -2.29 116.25 116.61 2qqb h VAL 97 Ca 0.00 -0.18 0.00 0.00 0.82 0.00 0.00 66.70 67.34 2qqb h VAL 97 Cb 0.43 0.36 -0.00 0.00 -1.52 0.00 0.00 31.29 30.55 2qqb h VAL 97 CO 0.00 0.10 0.05 -0.74 0.02 0.00 0.00 177.57 176.99 2qqb h HIS 98 N 0.52 0.10 -0.73 1.57 -0.00 -1.84 -1.27 115.15 113.50 2qqb h HIS 98 Ca 0.25 0.00 -0.06 0.00 -0.00 0.00 0.00 60.37 60.56 2qqb h HIS 98 Cb 0.18 -0.03 -0.03 0.00 -0.00 0.00 0.00 27.41 27.53 2qqb h HIS 98 CO -0.11 0.08 0.22 -0.44 -0.00 0.00 0.00 177.93 177.68 2qqb h ASP 99 N 0.08 1.06 0.80 3.26 3.32 -1.78 0.07 116.42 123.23 2qqb h ASP 99 Ca 0.03 -0.20 -0.04 0.00 0.02 0.00 0.00 57.03 56.83 2qqb h ASP 99 Cb 0.01 -0.28 0.01 0.00 0.22 0.00 0.00 39.33 39.29 2qqb h ASP 99 CO -0.01 0.99 -0.38 -0.08 -1.72 0.00 0.00 179.24 178.04 2qqb h GLU 100 N 1.08 -1.03 -0.53 3.56 4.57 -1.41 -2.95 114.58 117.87 2qqb h GLU 100 Ca 0.23 0.07 0.15 0.00 -1.18 0.00 0.00 59.36 58.64 2qqb h GLU 100 Cb 0.32 0.23 -0.02 0.00 -0.16 0.00 0.00 28.75 29.12 2qqb h GLU 100 CO -0.01 -0.68 0.60 0.00 -1.18 0.00 0.00 179.01 177.75 2qqb h ALA 101 N -0.95 2.26 0.00 2.92 0.00 -0.92 0.30 119.26 122.87 2qqb h ALA 101 Ca -0.11 -0.02 -0.04 0.00 0.00 0.00 0.00 54.91 54.74 2qqb h ALA 101 Cb 0.83 0.04 -0.01 0.00 0.00 0.00 0.00 17.79 18.65 2qqb h ALA 101 CO 0.18 -0.87 -0.20 0.22 0.00 0.00 0.00 179.25 178.58 2qqb h ASP 102 N 0.00 0.00 0.05 0.00 3.58 -0.81 0.11 116.42 119.35 2qqb h ASP 102 Ca 0.25 0.00 -0.35 0.00 0.42 0.00 0.00 57.03 57.35 2qqb h ASP 102 Cb 1.45 0.00 -0.04 0.00 1.72 0.00 0.00 39.33 42.46 2qqb h ASP 102 CO -0.00 0.20 -2.00 0.54 -2.88 0.00 0.00 179.24 175.10 2qqb n ARG 103 N -3.47 0.66 0.19 0.28 1.74 0.97 -4.43 116.66 112.61 2qqb n ARG 103 Ca -0.01 0.32 0.03 0.00 -0.77 0.00 0.00 57.85 57.43 2qqb n ARG 103 Cb 0.37 -1.65 0.39 0.00 -1.02 0.00 0.00 32.46 30.56 2qqb n ARG 103 CO 0.00 0.00 0.00 -1.49 -1.52 0.00 0.00 177.63 174.62 2qqb h TRP 104 N -0.39 0.02 -0.98 -1.55 4.06 -1.25 -2.63 115.95 113.22 2qqb h TRP 104 Ca -0.48 -0.00 0.26 0.00 2.06 0.00 0.00 58.89 60.73 2qqb h TRP 104 Cb 1.75 -0.00 -0.06 0.00 -1.00 0.00 0.00 29.16 29.85 2qqb h TRP 104 CO 0.05 0.33 0.68 1.05 -3.56 0.00 0.00 178.44 176.98 2qqb h GLU 105 N 0.01 0.15 0.00 0.49 4.11 -0.99 -1.96 114.58 116.40 2qqb h GLU 105 Ca -0.00 -0.01 0.00 0.00 0.07 0.00 0.00 59.36 59.42 2qqb h GLU 105 Cb 0.56 -0.03 0.00 0.00 0.50 0.00 0.00 28.75 29.78 2qqb h GLU 105 CO 0.04 0.10 -0.20 0.72 0.07 0.00 0.00 179.01 179.74 2qqb n HIS 106 N -4.37 0.42 -0.10 2.06 8.25 -0.99 -4.35 115.22 116.13 2qqb n HIS 106 Ca 0.21 0.12 0.00 0.00 -0.26 0.00 0.00 57.72 57.79 2qqb n HIS 106 Cb 0.94 -0.64 0.00 0.00 1.12 0.00 0.00 29.99 31.42 2qqb n HIS 106 CO 0.00 0.00 0.00 1.33 0.64 0.00 0.00 176.34 178.31 2qqb n VAL 107 N -1.87 0.00 -2.29 1.59 0.24 -0.78 -4.99 118.33 110.22 2qqb n VAL 107 Ca 0.06 -0.41 -0.43 0.00 -2.04 0.00 0.00 64.34 61.52 2qqb n VAL 107 Cb 0.39 1.10 -0.02 0.00 -1.47 0.00 0.00 33.84 33.84 2qqb n VAL 107 CO 0.00 0.00 0.00 -0.32 -2.14 0.00 0.00 176.83 174.37 2qqb s MET 108 N -0.35 4.23 0.67 7.34 0.00 -0.94 -5.02 119.30 125.22 2qqb s MET 108 Ca 0.00 1.83 -0.17 0.00 0.00 0.00 0.00 55.69 57.36 2qqb s MET 108 Cb 0.00 -3.79 0.00 0.00 0.00 0.00 0.00 34.83 31.04 2qqb s MET 108 CO 0.00 -0.71 1.20 -1.54 0.00 0.00 0.00 175.02 173.97 2qqb s SER 109 N 2.30 4.69 0.24 1.11 1.04 -1.26 -4.93 113.70 116.88 2qqb s SER 109 Ca 0.61 2.34 -0.13 0.00 0.48 0.00 0.00 55.95 59.25 2qqb s SER 109 Cb -0.26 -2.59 0.31 0.00 0.10 0.00 0.00 66.02 63.58 2qqb s SER 109 CO 0.20 -1.93 1.58 0.44 0.98 0.00 0.00 173.24 174.52 2qqb h ASP 110 N 0.22 -0.95 -0.22 7.02 5.19 -1.99 -2.10 116.42 123.58 2qqb h ASP 110 Ca -0.49 0.26 0.05 0.00 -0.62 0.00 0.00 57.03 56.23 2qqb h ASP 110 Cb 1.29 0.57 -0.05 0.00 0.18 0.00 0.00 39.33 41.32 2qqb h ASP 110 CO 0.52 -0.28 -0.10 -0.33 -3.12 0.00 0.00 179.24 175.93 2qqb h GLU 111 N -0.03 -0.06 -0.66 3.56 4.39 -1.97 -0.15 114.58 119.66 2qqb h GLU 111 Ca 0.37 0.00 0.10 0.00 0.34 0.00 0.00 59.36 60.18 2qqb h GLU 111 Cb 0.60 0.01 -0.08 0.00 -0.10 0.00 0.00 28.75 29.19 2qqb h GLU 111 CO -0.86 -0.04 0.27 -0.39 -1.16 0.00 0.00 179.01 176.83 2qqb h VAL 112 N -0.07 0.76 -0.36 3.13 -1.51 -1.91 -0.56 116.25 115.73 2qqb h VAL 112 Ca 0.12 -0.15 0.07 0.00 -1.23 0.00 0.00 66.70 65.50 2qqb h VAL 112 Cb 0.24 0.27 -0.07 0.00 -2.13 0.00 0.00 31.29 29.60 2qqb h VAL 112 CO -0.27 0.08 -0.08 -0.33 -1.23 0.00 0.00 177.57 175.75 2qqb h GLU 113 N 0.45 0.01 -0.74 5.19 5.08 -0.53 0.01 114.58 124.05 2qqb h GLU 113 Ca 0.34 -0.00 0.03 0.00 -1.00 0.00 0.00 59.36 58.73 2qqb h GLU 113 Cb 0.43 -0.00 -0.05 0.00 0.50 0.00 0.00 28.75 29.63 2qqb h GLU 113 CO -0.32 0.01 0.47 0.00 -1.00 0.00 0.00 179.01 178.16 2qqb h ARG 114 N 0.01 0.89 -0.93 2.33 3.08 -0.37 -0.39 114.38 119.00 2qqb h ARG 114 Ca 0.17 -0.05 0.05 0.00 0.07 0.00 0.00 59.98 60.21 2qqb h ARG 114 Cb 0.26 -0.20 -0.06 0.00 0.08 0.00 0.00 29.97 30.05 2qqb h ARG 114 CO -0.36 0.59 0.61 0.00 -1.07 0.00 0.00 179.97 179.74 2qqb h ARG 115 N 0.91 1.10 -0.45 0.04 2.47 -0.74 -2.87 114.38 114.84 2qqb h ARG 115 Ca 0.30 -0.07 -0.12 0.00 -1.26 0.00 0.00 59.98 58.83 2qqb h ARG 115 Cb 0.01 -0.25 -0.01 0.00 -1.65 0.00 0.00 29.97 28.07 2qqb h ARG 115 CO -0.11 0.73 -0.20 -0.07 0.56 0.00 0.00 179.97 180.88 2qqb h LEU 116 N 1.13 0.92 -1.57 3.04 3.38 0.66 -1.99 115.31 120.89 2qqb h LEU 116 Ca 0.38 -0.33 0.17 0.00 0.09 0.00 0.00 57.88 58.19 2qqb h LEU 116 Cb 0.07 -0.25 -0.05 0.00 0.09 0.00 0.00 40.66 40.52 2qqb h LEU 116 CO -0.13 1.09 0.54 0.58 0.09 0.00 0.00 178.44 180.61 2qqb h VAL 117 N 0.79 0.76 -0.12 1.22 2.07 -1.12 -1.09 116.25 118.75 2qqb h VAL 117 Ca 0.11 -0.14 -0.19 0.00 0.82 0.00 0.00 66.70 67.30 2qqb h VAL 117 Cb 0.74 0.31 0.01 0.00 -1.52 0.00 0.00 31.29 30.84 2qqb h VAL 117 CO 0.06 0.07 -0.68 0.11 0.02 0.00 0.00 177.57 177.16 2qqb h LYS 118 N 0.41 0.66 0.17 1.57 1.79 -1.29 -3.38 116.57 116.50 2qqb h LYS 118 Ca 0.40 -0.56 -0.35 0.00 -2.18 0.00 0.00 60.65 57.96 2qqb h LYS 118 Cb 0.96 0.12 0.00 0.00 -1.58 0.00 0.00 32.23 31.74 2qqb h LYS 118 CO -0.13 1.17 -1.80 0.28 -1.08 0.00 0.00 179.45 177.89 2qqb h VAL 119 N 0.33 0.88 -4.36 0.50 2.07 -1.17 -3.47 116.25 111.03 2qqb h VAL 119 Ca -0.05 -2.49 -0.51 0.00 0.82 0.00 0.00 66.70 64.47 2qqb h VAL 119 Cb 1.32 2.71 0.08 0.00 -1.52 0.00 0.00 31.29 33.88 2qqb h VAL 119 CO 0.14 0.87 0.39 -0.76 0.02 0.00 0.00 177.57 178.23 2qqb s LEU 120 N -7.23 3.08 0.04 2.57 1.43 -0.44 -4.99 118.68 113.14 2qqb s LEU 120 Ca -0.17 1.44 0.02 0.00 -1.03 0.00 0.00 54.13 54.39 2qqb s LEU 120 Cb 0.06 -4.34 -0.25 0.00 0.03 0.00 0.00 46.19 41.68 2qqb s LEU 120 CO 0.84 -1.27 1.00 0.50 0.23 0.00 0.00 176.35 177.65 2qqb h LYS 121 N -0.60 0.14 -2.16 1.70 3.11 -1.90 -3.46 116.57 113.41 2qqb h LYS 121 Ca -0.44 -0.24 0.01 0.00 -2.81 0.00 0.00 60.65 57.17 2qqb h LYS 121 Cb 1.21 0.09 -0.23 0.00 -1.00 0.00 0.00 32.23 32.31 2qqb h LYS 121 CO 0.60 1.01 -0.23 0.34 -2.81 0.00 0.00 179.45 178.36 2qqb s ASP 122 N -6.80 -0.81 -0.23 4.20 -1.08 -1.26 -5.04 116.67 105.66 2qqb s ASP 122 Ca -0.05 1.32 0.14 0.00 -0.52 0.00 0.00 52.55 53.45 2qqb s ASP 122 Cb 0.08 1.94 0.55 0.00 -1.46 0.00 0.00 42.92 44.02 2qqb s ASP 122 CO 0.84 -0.23 1.48 1.33 0.52 0.00 0.00 175.17 179.12 2qqb n VAL 123 N 5.43 2.43 0.03 1.11 0.24 -1.26 -4.66 118.33 121.65 2qqb n VAL 123 Ca -0.10 -2.09 -0.15 0.00 -2.04 0.00 0.00 64.34 59.96 2qqb n VAL 123 Cb 0.49 -0.29 -0.05 0.00 -1.47 0.00 0.00 33.84 32.53 2qqb n VAL 123 CO 0.00 0.00 0.00 0.77 -2.14 0.00 0.00 176.83 175.46 2qqb h SER 124 N 1.65 0.73 -4.83 -1.34 4.64 -1.96 -3.40 113.55 109.05 2qqb h SER 124 Ca 0.09 -0.52 -0.23 0.00 -0.47 0.00 0.00 61.79 60.66 2qqb h SER 124 Cb 1.61 -0.22 -0.20 0.00 -0.31 0.00 0.00 62.40 63.28 2qqb h SER 124 CO 0.33 1.31 -0.72 -0.13 -0.87 0.00 0.00 176.83 176.75 2qqb s ARG 125 N -3.52 0.51 0.99 4.77 0.52 -1.26 -1.51 118.95 119.44 2qqb s ARG 125 Ca -0.08 -0.80 -0.11 0.00 -0.52 0.00 0.00 55.73 54.22 2qqb s ARG 125 Cb 0.09 -0.15 0.18 0.00 0.52 0.00 0.00 34.95 35.59 2qqb s ARG 125 CO 0.88 0.01 1.09 -1.54 0.02 0.00 0.00 175.30 175.76 2qqb s SER 126 N -1.77 2.46 0.33 0.23 1.04 -0.24 -4.84 113.70 110.91 2qqb s SER 126 Ca -0.08 1.81 0.25 0.00 0.48 0.00 0.00 55.95 58.40 2qqb s SER 126 Cb -0.07 -2.40 1.16 0.00 0.10 0.00 0.00 66.02 64.81 2qqb s SER 126 CO -0.01 -3.32 1.76 -0.65 0.98 0.00 0.00 173.24 171.99 2qqb h PRO 127 N -2.02 0.00 -0.33 4.02 0.11 -1.88 -2.42 132.00 129.49 2qqb h PRO 127 Ca -0.51 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.60 2qqb h PRO 127 Cb 1.29 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.40 2qqb h PRO 127 CO 0.48 0.00 0.00 1.19 -0.21 0.00 0.00 178.00 179.46 2qqb n PHE 128 N -2.38 0.42 -0.26 0.65 3.72 -1.26 -4.95 117.46 113.41 2qqb n PHE 128 Ca 0.01 -0.21 0.00 0.00 -0.05 0.00 0.00 57.45 57.19 2qqb n PHE 128 Cb 0.17 0.00 0.00 0.00 -0.94 0.00 0.00 39.48 38.71 2qqb n PHE 128 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 176.76 177.12 2qqb n GLY 129 N 1.34 0.90 3.46 1.37 0.00 -0.91 -5.06 105.19 106.29 2qqb n GLY 129 Ca 0.18 -0.26 -0.33 0.00 0.00 0.00 0.00 46.02 45.61 2qqb n GLY 129 CO 0.00 0.00 0.00 -1.31 0.00 0.00 0.00 173.32 172.01 2qqb s ASN 130 N -2.24 4.11 0.66 1.61 0.01 -1.26 -4.92 114.94 112.92 2qqb s ASN 130 Ca 0.00 -0.21 -0.17 0.00 -0.71 0.00 0.00 52.86 51.76 2qqb s ASN 130 Cb 0.00 -1.14 0.00 0.00 0.41 0.00 0.00 41.25 40.52 2qqb s ASN 130 CO 0.00 0.29 1.25 -2.16 -1.51 0.00 0.00 177.10 174.97 2qqb s PRO 131 N -0.38 2.50 -0.22 -0.60 0.04 -1.26 -1.08 135.00 134.00 2qqb s PRO 131 Ca 0.04 1.92 -0.22 0.00 0.04 0.00 0.00 61.00 62.79 2qqb s PRO 131 Cb -0.12 -1.86 -0.02 0.00 0.04 0.00 0.00 34.50 32.54 2qqb s PRO 131 CO 0.02 -1.60 0.68 0.42 0.04 0.00 0.00 177.00 176.56 2qqb s ILE 132 N -1.62 4.97 0.52 0.56 1.01 -0.57 -4.73 121.20 121.34 2qqb s ILE 132 Ca 0.79 1.26 0.01 0.00 0.00 0.00 0.00 60.65 62.72 2qqb s ILE 132 Cb -0.34 -3.98 0.02 0.00 0.01 0.00 0.00 42.46 38.17 2qqb s ILE 132 CO 0.40 0.05 0.74 -2.16 0.00 0.00 0.00 174.94 173.97 2qqb s PRO 133 N 2.27 2.68 -1.99 2.79 0.04 -1.26 -4.51 135.00 135.02 2qqb s PRO 133 Ca 0.30 -0.71 0.00 0.00 0.04 0.00 0.00 61.00 60.62 2qqb s PRO 133 Cb -0.16 -2.51 0.00 0.00 0.04 0.00 0.00 34.50 31.87 2qqb s PRO 133 CO 0.09 -0.59 0.00 0.41 0.04 0.00 0.00 177.00 176.95 2qqb n GLY 134 N -2.27 1.58 0.32 0.56 0.00 -1.26 -4.41 105.19 99.71 2qqb n GLY 134 Ca 0.06 -0.09 0.21 0.00 0.00 0.00 0.00 46.02 46.20 2qqb n GLY 134 CO 0.00 0.00 0.00 1.41 0.00 0.00 0.00 173.32 174.73 2qqb h LEU 135 N 0.00 0.00 0.09 0.99 3.38 -1.97 -3.03 115.31 114.76 2qqb h LEU 135 Ca -0.40 0.00 -0.17 0.00 0.09 0.00 0.00 57.88 57.39 2qqb h LEU 135 Cb 1.26 0.00 0.02 0.00 0.09 0.00 0.00 40.66 42.03 2qqb h LEU 135 CO 0.57 0.00 -0.73 0.44 0.09 0.00 0.00 178.44 178.81 2qqb h ASP 136 N 0.00 0.49 -0.44 -0.43 3.32 -1.90 -3.24 116.42 114.22 2qqb h ASP 136 Ca 0.00 -0.88 0.13 0.00 0.02 0.00 0.00 57.03 56.30 2qqb h ASP 136 Cb 0.14 -0.16 -0.02 0.00 0.22 0.00 0.00 39.33 39.52 2qqb h ASP 136 CO 0.00 1.33 0.38 -0.33 -1.72 0.00 0.00 179.24 178.90 2qqb h GLU 137 N -0.27 0.00 0.00 3.56 3.07 -1.95 -2.81 114.58 116.19 2qqb h GLU 137 Ca -0.12 0.00 0.00 0.00 -0.50 0.00 0.00 59.36 58.74 2qqb h GLU 137 Cb 1.52 0.00 0.00 0.00 -0.84 0.00 0.00 28.75 29.43 2qqb h GLU 137 CO 0.14 0.00 -0.85 -0.11 -1.40 0.00 0.00 179.01 176.79 2qqb n LEU 138 N -4.03 0.63 -1.39 1.33 7.94 -1.20 -5.18 117.00 115.11 2qqb n LEU 138 Ca 0.08 0.04 0.00 0.00 -1.11 0.00 0.00 56.01 55.02 2qqb n LEU 138 Cb 0.58 -0.14 0.00 0.00 0.53 0.00 0.00 43.42 44.39 2qqb n LEU 138 CO 0.32 0.03 0.00 0.61 -1.11 0.00 0.00 177.39 177.24 2qqb n GLY 139 N 1.38 0.87 4.62 -3.96 0.00 -1.07 -4.93 105.19 102.10 2qqb n GLY 139 Ca 0.03 -0.32 0.00 0.00 0.00 0.00 0.00 46.02 45.73 2qqb n GLY 139 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2qqb n GLY 149 N -1.39 0.00 3.16 -0.02 0.00 -1.26 -4.74 105.19 100.93 2qqb n GLY 149 Ca 0.00 0.00 -0.11 0.00 0.00 0.00 0.00 46.02 45.91 2qqb n GLY 149 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 2qqb s THR 150 N 0.00 -0.15 0.22 2.61 2.01 -1.02 -4.92 115.64 114.39 2qqb s THR 150 Ca 0.00 0.15 -0.30 0.00 0.31 0.00 0.00 61.69 61.85 2qqb s THR 150 Cb 0.00 -0.51 -0.09 0.00 0.01 0.00 0.00 72.50 71.91 2qqb s THR 150 CO 0.00 0.06 1.27 0.00 -0.69 0.00 0.00 174.62 175.26 2qqb s ARG 151 N 1.62 4.42 0.23 4.92 3.03 -1.26 -0.47 118.95 131.44 2qqb s ARG 151 Ca -0.07 2.03 -0.10 0.00 2.03 0.00 0.00 55.73 59.61 2qqb s ARG 151 Cb -0.10 -3.18 0.34 0.00 -1.03 0.00 0.00 34.95 30.98 2qqb s ARG 151 CO -0.11 -0.17 1.61 0.28 -1.13 0.00 0.00 175.30 175.79 2qqb h VAL 152 N 3.57 0.28 -0.67 4.99 2.07 -0.78 0.29 116.25 126.01 2qqb h VAL 152 Ca -0.45 -0.01 0.19 0.00 0.82 0.00 0.00 66.70 67.25 2qqb h VAL 152 Cb 1.22 0.25 -0.03 0.00 -1.52 0.00 0.00 31.29 31.21 2qqb h VAL 152 CO 0.74 0.00 0.48 -0.29 0.02 0.00 0.00 177.57 178.53 2qqb h ILE 153 N 0.03 0.67 0.00 4.57 6.09 -1.53 -1.82 117.51 125.52 2qqb h ILE 153 Ca 0.37 -0.01 0.00 0.00 -1.37 0.00 0.00 64.86 63.85 2qqb h ILE 153 Cb 0.60 0.65 0.00 0.00 0.47 0.00 0.00 36.82 38.54 2qqb h ILE 153 CO -0.73 0.00 -1.50 0.47 -3.07 0.00 0.00 178.15 173.32 2qqb n ASP 154 N -4.34 0.40 0.04 2.19 8.00 0.84 -4.36 116.55 119.32 2qqb n ASP 154 Ca 0.13 0.05 0.04 0.00 0.71 0.00 0.00 54.79 55.72 2qqb n ASP 154 Cb 0.73 1.28 -0.07 0.00 -0.02 0.00 0.00 41.12 43.04 2qqb n ASP 154 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 2qqb n ALA 155 N -2.15 2.17 -1.77 2.24 0.00 -0.13 -4.92 120.51 115.95 2qqb n ALA 155 Ca -0.02 -0.49 -0.39 0.00 0.00 0.00 0.00 53.44 52.55 2qqb n ALA 155 Cb 0.54 -0.95 -0.05 0.00 0.00 0.00 0.00 19.45 19.00 2qqb n ALA 155 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 2qqb s ALA 156 N -3.09 3.29 0.18 0.00 0.00 -0.99 -5.05 121.76 116.11 2qqb s ALA 156 Ca -0.03 0.77 0.02 0.00 0.00 0.00 0.00 51.96 52.72 2qqb s ALA 156 Cb 0.09 -3.28 -0.01 0.00 0.00 0.00 0.00 23.12 19.92 2qqb s ALA 156 CO 0.81 -0.09 0.06 0.25 0.00 0.00 0.00 175.76 176.79 2qqb n THR 157 N 0.82 0.00 0.27 0.00 -2.24 -0.51 -4.92 114.28 107.69 2qqb n THR 157 Ca 0.01 -1.06 0.13 0.00 -2.27 0.00 0.00 64.05 60.86 2qqb n THR 157 Cb 0.47 0.37 0.75 0.00 -2.10 0.00 0.00 70.33 69.83 2qqb n THR 157 CO 0.00 0.00 0.00 0.77 -0.57 0.00 0.00 175.07 175.27 2qqb h SER 158 N 0.72 0.00 -3.45 3.42 4.64 -1.94 -3.21 113.55 113.72 2qqb h SER 158 Ca -0.14 0.00 -0.66 0.00 -0.47 0.00 0.00 61.79 60.51 2qqb h SER 158 Cb 0.54 0.00 -0.27 0.00 -0.31 0.00 0.00 62.40 62.36 2qqb h SER 158 CO 0.23 0.10 -0.78 -0.04 -0.87 0.00 0.00 176.83 175.47 2qqb s MET 159 N -4.21 3.20 -0.18 4.77 -1.94 -1.26 -4.79 119.30 114.89 2qqb s MET 159 Ca -0.03 -0.71 -0.29 0.00 -1.71 0.00 0.00 55.69 52.95 2qqb s MET 159 Cb 0.13 -2.55 -0.04 0.00 2.01 0.00 0.00 34.83 34.39 2qqb s MET 159 CO 0.58 0.27 1.74 -1.25 -0.01 0.00 0.00 175.02 176.35 2qqb s PRO 160 N 0.18 3.78 -0.16 2.03 0.04 -1.26 -4.85 135.00 134.76 2qqb s PRO 160 Ca -0.08 1.87 -0.07 0.00 0.04 0.00 0.00 61.00 62.75 2qqb s PRO 160 Cb -0.15 -4.09 -0.04 0.00 0.04 0.00 0.00 34.50 30.26 2qqb s PRO 160 CO 0.05 -1.32 0.08 0.50 0.04 0.00 0.00 177.00 176.35 2qqb s ARG 161 N 4.81 3.79 -0.03 4.56 3.52 -0.99 -4.93 118.95 129.67 2qqb s ARG 161 Ca 0.77 -0.30 -0.30 0.00 -0.13 0.00 0.00 55.73 55.77 2qqb s ARG 161 Cb -0.29 -3.18 -0.03 0.00 -1.56 0.00 0.00 34.95 29.89 2qqb s ARG 161 CO 0.31 0.42 1.13 0.21 -0.81 0.00 0.00 175.30 176.57 2qqb s LYS 162 N -0.03 4.41 0.31 5.12 2.20 -1.26 -1.24 119.74 129.24 2qqb s LYS 162 Ca 0.07 1.61 0.03 0.00 -0.36 0.00 0.00 55.97 57.31 2qqb s LYS 162 Cb -0.12 -3.50 -0.04 0.00 -1.51 0.00 0.00 37.83 32.66 2qqb s LYS 162 CO 0.01 -0.33 0.12 0.08 -0.36 0.00 0.00 175.35 174.87 2qqb s VAL 163 N 1.78 0.56 -0.16 4.02 1.01 0.81 -4.54 120.40 123.87 2qqb s VAL 163 Ca 0.54 -2.00 -0.05 0.00 0.00 0.00 0.00 61.98 60.48 2qqb s VAL 163 Cb -0.24 -2.57 -0.03 0.00 0.00 0.00 0.00 36.38 33.54 2qqb s VAL 163 CO 0.23 0.00 -0.00 -0.60 0.00 0.00 0.00 175.10 174.73 2qqb s ARG 164 N -3.88 3.77 -0.03 2.72 3.52 0.50 -1.33 118.95 124.22 2qqb s ARG 164 Ca 0.35 -0.45 -0.30 0.00 -0.13 0.00 0.00 55.73 55.20 2qqb s ARG 164 Cb 0.06 -3.02 -0.07 0.00 -1.56 0.00 0.00 34.95 30.36 2qqb s ARG 164 CO 0.16 0.27 1.89 0.42 -0.81 0.00 0.00 175.30 177.23 2qqb s ILE 165 N 0.32 3.21 -0.19 4.11 -1.09 -1.08 -0.71 121.20 125.77 2qqb s ILE 165 Ca -0.01 0.25 0.05 0.00 -2.23 0.00 0.00 60.65 58.71 2qqb s ILE 165 Cb -0.13 -3.17 -0.15 0.00 -1.58 0.00 0.00 42.46 37.42 2qqb s ILE 165 CO 0.02 -0.04 -0.11 0.52 -1.23 0.00 0.00 174.94 174.10 2qqb n VAL 166 N 5.83 1.12 -3.63 2.92 0.31 0.23 0.20 118.33 125.31 2qqb n VAL 166 Ca 0.20 -0.50 -0.16 0.00 -0.01 0.00 0.00 64.34 63.87 2qqb n VAL 166 Cb 0.42 -1.03 -0.07 0.00 -0.91 0.00 0.00 33.84 32.25 2qqb n VAL 166 CO 0.00 0.00 0.00 0.00 -1.32 0.00 0.00 176.83 175.51 2qqb s GLN 167 N -2.39 0.87 -0.23 5.55 -2.07 -0.78 -4.64 119.66 115.97 2qqb s GLN 167 Ca -0.21 0.17 0.09 0.00 -1.82 0.00 0.00 55.36 53.59 2qqb s GLN 167 Cb 0.06 0.41 -0.21 0.00 -1.09 0.00 0.00 33.01 32.18 2qqb s GLN 167 CO 0.51 -0.25 -0.08 -0.89 -1.32 0.00 0.00 175.29 173.26 2qqb n ILE 168 N 1.28 1.45 -3.20 3.63 5.41 -1.26 -1.82 119.36 124.85 2qqb n ILE 168 Ca -0.19 -0.70 -0.15 0.00 1.00 0.00 0.00 62.75 62.70 2qqb n ILE 168 Cb 0.57 -0.99 0.06 0.00 -0.71 0.00 0.00 39.64 38.56 2qqb n ILE 168 CO 0.00 0.00 0.00 0.59 0.00 0.00 0.00 176.55 177.14 2qqb n ASN 169 N -3.03 -4.44 0.24 4.38 3.02 -1.26 -4.28 115.26 109.89 2qqb n ASN 169 Ca -0.40 -0.38 0.14 0.00 -0.03 0.00 0.00 54.58 53.91 2qqb n ASN 169 Cb 1.07 -3.61 0.74 0.00 -0.61 0.00 0.00 39.78 37.36 2qqb n ASN 169 CO 0.00 0.00 0.00 1.05 -2.62 0.00 0.00 177.26 175.69 2qqb h GLU 170 N -1.75 0.00 0.00 3.52 9.09 -1.98 -2.81 114.58 120.66 2qqb h GLU 170 Ca -0.39 0.00 -0.06 0.00 0.05 0.00 0.00 59.36 58.95 2qqb h GLU 170 Cb 1.25 0.00 -0.01 0.00 -1.65 0.00 0.00 28.75 28.34 2qqb h GLU 170 CO 0.37 0.00 -0.31 0.97 0.05 0.00 0.00 179.01 180.10 2qqb h ILE 171 N 0.00 1.20 -0.01 -1.06 2.10 -2.03 -2.98 117.51 114.72 2qqb h ILE 171 Ca 0.00 -1.07 0.00 0.00 1.08 0.00 0.00 64.86 64.87 2qqb h ILE 171 Cb 0.27 1.58 0.00 0.00 -1.09 0.00 0.00 36.82 37.58 2qqb h ILE 171 CO 0.00 0.30 -0.12 0.49 -1.08 0.00 0.00 178.15 177.74 2qqb n PHE 172 N -4.14 0.00 -3.37 2.19 0.99 -1.06 -4.93 117.46 107.14 2qqb n PHE 172 Ca -0.02 0.00 -0.38 0.00 -0.00 0.00 0.00 57.45 57.05 2qqb n PHE 172 Cb 0.36 -0.10 -0.06 0.00 -1.00 0.00 0.00 39.48 38.68 2qqb n PHE 172 CO 0.00 0.00 0.00 -0.65 -0.00 0.00 0.00 176.76 176.11 2qqb s GLN 173 N -2.32 4.23 -0.16 -1.08 -1.52 -1.13 -4.97 119.66 112.71 2qqb s GLN 173 Ca 0.31 0.43 -0.16 0.00 -1.95 0.00 0.00 55.36 54.00 2qqb s GLN 173 Cb 0.20 -3.37 -0.12 0.00 -0.22 0.00 0.00 33.01 29.50 2qqb s GLN 173 CO 0.44 0.32 0.16 0.28 -0.25 0.00 0.00 175.29 176.25 2qqb h VAL 174 N 4.40 0.65 -3.33 1.09 2.07 -1.91 -3.46 116.25 115.75 2qqb h VAL 174 Ca -0.44 -1.65 -0.56 0.00 0.82 0.00 0.00 66.70 64.86 2qqb h VAL 174 Cb 1.19 1.39 -0.05 0.00 -1.52 0.00 0.00 31.29 32.30 2qqb h VAL 174 CO 0.71 0.22 0.34 -1.61 0.02 0.00 0.00 177.57 177.25 2qqb s GLU 175 N -2.16 4.41 0.00 1.57 2.02 -1.26 -4.96 118.70 118.32 2qqb s GLU 175 Ca -0.18 1.13 0.00 0.00 0.02 0.00 0.00 54.97 55.94 2qqb s GLU 175 Cb 0.02 -3.51 0.00 0.00 0.10 0.00 0.00 34.13 30.74 2qqb s GLU 175 CO 0.40 -0.17 0.26 0.25 0.02 0.00 0.00 175.26 176.02 2qqb n THR 176 N 4.30 0.00 0.28 3.63 -2.24 -1.26 -4.74 114.28 114.25 2qqb n THR 176 Ca 0.04 -0.39 0.14 0.00 -2.27 0.00 0.00 64.05 61.58 2qqb n THR 176 Cb 0.50 1.15 0.85 0.00 -2.10 0.00 0.00 70.33 70.72 2qqb n THR 176 CO 0.00 0.00 0.00 -2.24 -0.57 0.00 0.00 175.07 172.26 2qqb h ASP 177 N 0.00 0.00 1.29 3.42 3.04 -2.02 -2.48 116.42 119.67 2qqb h ASP 177 Ca 0.00 0.00 0.00 0.00 -3.24 0.00 0.00 57.03 53.79 2qqb h ASP 177 Cb 0.07 0.00 0.00 0.00 -1.04 0.00 0.00 39.33 38.36 2qqb h ASP 177 CO 0.00 0.06 -0.05 0.00 -2.04 0.00 0.00 179.24 177.21 2qqb n GLN 178 N -3.69 0.19 -0.24 4.15 6.02 -1.26 -3.61 117.38 118.93 2qqb n GLN 178 Ca -0.02 0.15 0.01 0.00 -0.01 0.00 0.00 57.00 57.12 2qqb n GLN 178 Cb 0.16 -1.71 0.09 0.00 1.02 0.00 0.00 30.24 29.79 2qqb n GLN 178 CO 0.00 0.00 0.00 0.74 -1.01 0.00 0.00 177.06 176.79 2qqb h PHE 179 N 0.00 -0.33 0.00 1.08 -1.00 -1.78 -1.92 116.94 112.99 2qqb h PHE 179 Ca 0.00 0.06 -0.11 0.00 2.81 0.00 0.00 57.97 60.73 2qqb h PHE 179 Cb 0.67 0.25 -0.02 0.00 3.61 0.00 0.00 35.95 40.47 2qqb h PHE 179 CO 0.00 -0.29 -0.53 1.15 -1.61 0.00 0.00 178.31 177.03 2qqb h THR 180 N 0.01 0.98 -0.13 -1.55 2.02 -1.77 -2.47 112.91 110.01 2qqb h THR 180 Ca 0.34 -2.17 -0.14 0.00 0.77 0.00 0.00 66.41 65.21 2qqb h THR 180 Cb 0.53 2.34 -0.01 0.00 -1.74 0.00 0.00 68.15 69.27 2qqb h THR 180 CO -0.71 0.52 -0.54 1.56 0.37 0.00 0.00 175.52 176.72 2qqb h GLN 181 N 0.00 0.36 0.04 6.66 4.20 -1.53 0.36 115.11 125.20 2qqb h GLN 181 Ca -0.01 -0.22 -0.00 0.00 0.06 0.00 0.00 58.65 58.48 2qqb h GLN 181 Cb 1.29 0.02 0.00 0.00 0.30 0.00 0.00 27.48 29.10 2qqb h GLN 181 CO 0.07 0.81 -0.02 -0.07 -0.67 0.00 0.00 178.83 178.95 2qqb h LEU 182 N 0.28 -0.04 -0.50 1.46 3.38 -1.16 -2.69 115.31 116.04 2qqb h LEU 182 Ca 0.01 -0.65 0.10 0.00 0.09 0.00 0.00 57.88 57.42 2qqb h LEU 182 Cb 1.04 0.01 -0.10 0.00 0.09 0.00 0.00 40.66 41.69 2qqb h LEU 182 CO 0.09 0.71 -0.30 -0.07 0.09 0.00 0.00 178.44 178.96 2qqb h LEU 183 N -0.88 -1.03 -2.27 1.67 4.07 -1.39 0.69 115.31 116.18 2qqb h LEU 183 Ca -0.01 0.20 0.04 0.00 0.08 0.00 0.00 57.88 58.19 2qqb h LEU 183 Cb 0.69 0.51 -0.00 0.00 1.08 0.00 0.00 40.66 42.94 2qqb h LEU 183 CO 0.01 -0.30 0.13 0.44 -1.08 0.00 0.00 178.44 177.64 2qqb h ASP 184 N -0.18 0.00 -0.22 -0.43 3.32 -0.28 -1.49 116.42 117.13 2qqb h ASP 184 Ca 0.21 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.26 2qqb h ASP 184 Cb 0.53 0.00 0.00 0.00 0.22 0.00 0.00 39.33 40.08 2qqb h ASP 184 CO -0.60 0.00 0.00 0.00 -1.72 0.00 0.00 179.24 176.92 2qqb n ALA 185 N -2.37 2.50 -2.60 3.45 0.00 -0.03 -4.91 120.51 116.55 2qqb n ALA 185 Ca 0.00 -0.58 -0.17 0.00 0.00 0.00 0.00 53.44 52.69 2qqb n ALA 185 Cb 0.24 -1.05 -0.00 0.00 0.00 0.00 0.00 19.45 18.64 2qqb n ALA 185 CO 0.00 0.00 0.00 -0.25 0.00 0.00 0.00 177.50 177.25 2qqb n ASP 186 N 0.45 -4.57 -4.52 0.00 8.00 -0.56 -4.76 116.55 110.58 2qqb n ASP 186 Ca 0.16 0.03 -0.43 0.00 0.71 0.00 0.00 54.79 55.25 2qqb n ASP 186 Cb 0.34 -3.83 -0.06 0.00 -0.02 0.00 0.00 41.12 37.55 2qqb n ASP 186 CO 0.00 0.00 0.00 -0.63 -0.39 0.00 0.00 177.20 176.18 2qqb s ILE 187 N -2.81 4.75 0.20 0.53 1.01 0.03 -4.99 121.20 119.93 2qqb s ILE 187 Ca 0.08 0.19 -0.04 0.00 0.00 0.00 0.00 60.65 60.88 2qqb s ILE 187 Cb -0.04 -4.26 0.01 0.00 0.01 0.00 0.00 42.46 38.18 2qqb s ILE 187 CO 0.10 -0.67 0.33 0.54 0.00 0.00 0.00 174.94 175.23 2qqb n ARG 188 N 6.46 0.47 0.00 2.79 1.74 -1.26 -3.85 116.66 123.01 2qqb n ARG 188 Ca -0.00 -1.44 0.00 0.00 -0.77 0.00 0.00 57.85 55.63 2qqb n ARG 188 Cb 0.48 1.51 0.00 0.00 -1.02 0.00 0.00 32.46 33.43 2qqb n ARG 188 CO 0.00 0.00 0.00 0.28 -1.52 0.00 0.00 177.63 176.39 2qqb n VAL 189 N -0.31 0.00 0.00 1.55 0.31 -1.26 -4.04 118.33 114.58 2qqb n VAL 189 Ca -0.01 0.00 0.00 0.00 -0.01 0.00 0.00 64.34 64.32 2qqb n VAL 189 Cb 0.33 0.00 0.00 0.00 -0.91 0.00 0.00 33.84 33.26 2qqb n VAL 189 CO 0.00 0.00 0.00 0.61 -1.32 0.00 0.00 176.83 176.12 2qqb n GLY 190 N 0.00 4.24 0.00 2.92 0.00 0.52 -4.27 105.19 108.60 2qqb n GLY 190 Ca 0.00 -0.54 0.00 0.00 0.00 0.00 0.00 46.02 45.48 2qqb n GLY 190 CO 0.00 0.00 0.00 -1.26 0.00 0.00 0.00 173.32 172.06 2qqb n SER 191 N 0.00 0.00 -4.60 1.61 2.88 -1.26 -4.84 113.62 107.42 2qqb n SER 191 Ca 0.00 0.00 -0.40 0.00 -1.33 0.00 0.00 58.87 57.14 2qqb n SER 191 Cb 0.00 0.00 -0.08 0.00 -0.75 0.00 0.00 64.21 63.38 2qqb n SER 191 CO 0.00 0.00 0.00 -1.61 -1.23 0.00 0.00 175.04 172.20 2qqb s GLU 192 N 0.00 3.92 0.08 -1.46 2.02 -1.26 -2.63 118.70 119.37 2qqb s GLU 192 Ca 0.00 0.17 0.04 0.00 0.02 0.00 0.00 54.97 55.21 2qqb s GLU 192 Cb 0.00 -3.71 -0.03 0.00 0.10 0.00 0.00 34.13 30.49 2qqb s GLU 192 CO 0.00 -0.47 -0.12 0.14 0.02 0.00 0.00 175.26 174.84 2qqb s VAL 193 N 2.38 0.98 -0.06 2.63 -7.23 -0.44 -4.90 120.40 113.76 2qqb s VAL 193 Ca 0.21 -1.37 -0.18 0.00 -1.81 0.00 0.00 61.98 58.82 2qqb s VAL 193 Cb -0.15 -1.08 -0.05 0.00 0.56 0.00 0.00 36.38 35.65 2qqb s VAL 193 CO 0.11 -0.35 0.50 -1.83 -0.31 0.00 0.00 175.10 173.22 2qqb s GLU 194 N -2.03 4.26 0.09 4.82 1.03 0.26 -0.13 118.70 127.00 2qqb s GLU 194 Ca -0.01 0.53 0.06 0.00 0.03 0.00 0.00 54.97 55.58 2qqb s GLU 194 Cb -0.08 -3.37 -0.04 0.00 -0.80 0.00 0.00 34.13 29.84 2qqb s GLU 194 CO 0.01 0.32 -0.06 0.96 -1.33 0.00 0.00 175.26 175.16 2qqb s ILE 195 N 0.07 3.60 0.00 1.83 -4.36 -0.37 -0.18 121.20 121.79 2qqb s ILE 195 Ca 0.27 -1.14 0.00 0.00 -0.26 0.00 0.00 60.65 59.53 2qqb s ILE 195 Cb -0.16 -2.69 0.00 0.00 1.25 0.00 0.00 42.46 40.86 2qqb s ILE 195 CO 0.13 0.14 0.00 0.52 0.24 0.00 0.00 174.94 175.97 2qqb n VAL 196 N 0.73 0.00 0.00 8.37 0.31 -1.10 -2.34 118.33 124.30 2qqb n VAL 196 Ca -0.13 0.00 0.00 0.00 -0.01 0.00 0.00 64.34 64.20 2qqb n VAL 196 Cb 0.52 0.00 0.00 0.00 -0.91 0.00 0.00 33.84 33.45 2qqb n VAL 196 CO 0.00 0.00 0.00 -0.67 -1.32 0.00 0.00 176.83 174.84 2qqb n ASP 197 N 0.00 0.00 0.00 4.52 4.64 -1.21 -1.43 116.55 123.07 2qqb n ASP 197 Ca 0.00 0.00 0.00 0.00 -1.38 0.00 0.00 54.79 53.41 2qqb n ASP 197 Cb 0.00 0.00 0.00 0.00 -1.04 0.00 0.00 41.12 40.08 2qqb n ASP 197 CO 0.00 0.00 0.00 0.54 -0.82 0.00 0.00 177.20 176.92 2qqb n ARG 198 N -1.22 0.00 -2.15 -0.67 1.74 -1.26 -4.60 116.66 108.49 2qqb n ARG 198 Ca 0.00 0.00 -0.43 0.00 -0.77 0.00 0.00 57.85 56.65 2qqb n ARG 198 Cb 0.00 0.00 -0.03 0.00 -1.02 0.00 0.00 32.46 31.41 2qqb n ARG 198 CO 0.00 0.00 0.00 0.20 -1.52 0.00 0.00 177.63 176.31 2qqb s GLY 200 N -1.64 1.52 -0.28 -0.13 0.00 -1.26 -4.95 107.32 100.57 2qqb s GLY 200 Ca 0.00 0.71 -0.03 0.00 0.00 0.00 0.00 44.72 45.40 2qqb s GLY 200 CO 0.00 2.86 0.17 -2.38 0.00 0.00 0.00 173.10 173.76 2qqb s HIS 201 N 4.06 0.10 -0.04 1.90 -0.00 -1.26 -4.92 115.29 115.12 2qqb s HIS 201 Ca 0.67 -0.65 -0.08 0.00 -0.00 0.00 0.00 55.06 55.01 2qqb s HIS 201 Cb -0.28 -0.76 -0.05 0.00 -0.00 0.00 0.00 32.58 31.49 2qqb s HIS 201 CO 0.25 -0.84 0.24 0.42 -0.00 0.00 0.00 174.74 174.81 2qqb s ILE 202 N 2.18 5.34 -0.07 -5.38 1.01 -1.26 -3.53 121.20 119.48 2qqb s ILE 202 Ca 0.09 0.28 0.05 0.00 0.00 0.00 0.00 60.65 61.06 2qqb s ILE 202 Cb -0.15 -3.53 -0.00 0.00 0.01 0.00 0.00 42.46 38.78 2qqb s ILE 202 CO -0.34 0.49 -0.24 -0.89 0.00 0.00 0.00 174.94 173.96 2qqb s THR 203 N -1.17 1.98 -0.24 2.92 2.01 -1.26 -0.47 115.64 119.41 2qqb s THR 203 Ca 0.22 -1.00 -0.11 0.00 0.31 0.00 0.00 61.69 61.11 2qqb s THR 203 Cb -0.13 -1.70 -0.05 0.00 0.01 0.00 0.00 72.50 70.63 2qqb s THR 203 CO 0.11 0.55 0.19 -0.76 -0.69 0.00 0.00 174.62 174.02 2qqb s LEU 204 N 0.09 4.10 -0.09 4.42 1.43 -0.80 -2.71 118.68 125.12 2qqb s LEU 204 Ca -0.11 0.13 0.02 0.00 -1.03 0.00 0.00 54.13 53.15 2qqb s LEU 204 Cb -0.15 -2.15 -0.01 0.00 0.03 0.00 0.00 46.19 43.90 2qqb s LEU 204 CO 0.06 0.03 -0.17 -0.44 0.23 0.00 0.00 176.35 176.06 2qqb s SER 205 N 1.18 3.73 -0.41 2.29 0.01 0.75 -0.69 113.70 120.57 2qqb s SER 205 Ca 0.09 -0.36 0.02 0.00 1.31 0.00 0.00 55.95 57.01 2qqb s SER 205 Cb -0.14 -1.28 0.15 0.00 0.21 0.00 0.00 66.02 64.97 2qqb s SER 205 CO 0.06 0.22 0.28 -2.28 0.41 0.00 0.00 173.24 171.93 2qqb s HIS 206 N 0.01 1.24 -0.83 2.43 5.04 0.00 -0.57 115.29 122.62 2qqb s HIS 206 Ca -0.06 -2.11 -0.00 0.00 -1.54 0.00 0.00 55.06 51.35 2qqb s HIS 206 Cb -0.15 -1.19 -0.00 0.00 0.04 0.00 0.00 32.58 31.28 2qqb s HIS 206 CO 0.05 -0.80 0.69 0.09 -2.34 0.00 0.00 174.74 172.42 2qqb n ASN 207 N 3.41 -2.21 -3.83 9.88 4.13 -1.26 -2.69 115.26 122.69 2qqb n ASN 207 Ca 0.18 -0.43 -0.28 0.00 1.68 0.00 0.00 54.58 55.73 2qqb n ASN 207 Cb 0.40 -3.71 -0.12 0.00 -1.54 0.00 0.00 39.78 34.82 2qqb n ASN 207 CO 0.00 0.00 0.00 0.61 0.28 0.00 0.00 177.26 178.15 2qqb n GLY 208 N -1.10 3.87 3.44 7.41 0.00 -1.22 -4.90 105.19 112.68 2qqb n GLY 208 Ca -0.19 -2.47 -0.33 0.00 0.00 0.00 0.00 46.02 43.02 2qqb n GLY 208 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2qqb s LYS 209 N -1.37 3.51 -0.16 1.61 1.02 -1.10 -4.95 119.74 118.30 2qqb s LYS 209 Ca 0.26 -0.60 -0.11 0.00 0.02 0.00 0.00 55.97 55.54 2qqb s LYS 209 Cb -0.02 -2.76 -0.05 0.00 -0.52 0.00 0.00 37.83 34.48 2qqb s LYS 209 CO -0.17 0.24 0.22 -0.51 -0.92 0.00 0.00 175.35 174.21 2qqb s ASP 210 N 0.32 6.38 -0.32 2.83 1.01 -1.26 -0.82 116.67 124.81 2qqb s ASP 210 Ca -0.07 0.44 0.04 0.00 0.71 0.00 0.00 52.55 53.66 2qqb s ASP 210 Cb -0.15 -2.14 0.09 0.00 1.01 0.00 0.00 42.92 41.73 2qqb s ASP 210 CO 0.04 0.19 0.02 -0.69 0.21 0.00 0.00 175.17 174.94 2qqb s VAL 211 N 0.09 2.23 -0.37 -1.27 1.01 0.14 -5.00 120.40 117.22 2qqb s VAL 211 Ca 0.14 -2.18 -0.27 0.00 0.00 0.00 0.00 61.98 59.66 2qqb s VAL 211 Cb -0.12 -2.58 -0.04 0.00 0.00 0.00 0.00 36.38 33.63 2qqb s VAL 211 CO 0.02 -0.48 2.11 -1.83 0.00 0.00 0.00 175.10 174.93 2qqb s GLU 212 N 0.96 2.83 -0.02 2.72 -1.05 -1.26 -1.90 118.70 120.98 2qqb s GLU 212 Ca 0.07 1.51 -0.30 0.00 -0.15 0.00 0.00 54.97 56.10 2qqb s GLU 212 Cb -0.19 -4.39 -0.03 0.00 -0.44 0.00 0.00 34.13 29.08 2qqb s GLU 212 CO -0.08 -2.45 1.07 -0.51 0.95 0.00 0.00 175.26 174.25 2qqb s LEU 213 N 9.10 4.33 0.66 1.83 1.43 0.38 -5.01 118.68 131.39 2qqb s LEU 213 Ca 0.90 1.74 -0.15 0.00 -1.03 0.00 0.00 54.13 55.59 2qqb s LEU 213 Cb -0.23 -3.57 -0.00 0.00 0.03 0.00 0.00 46.19 42.42 2qqb s LEU 213 CO 0.30 -0.40 1.10 -0.76 0.23 0.00 0.00 176.35 176.82 2qqb s LEU 214 N 1.43 3.38 0.22 1.79 1.43 -1.26 -4.29 118.68 121.38 2qqb s LEU 214 Ca 0.53 1.96 -0.07 0.00 -1.03 0.00 0.00 54.13 55.53 2qqb s LEU 214 Cb -0.23 -4.55 0.32 0.00 0.03 0.00 0.00 46.19 41.76 2qqb s LEU 214 CO 0.25 -1.59 1.79 0.44 0.23 0.00 0.00 176.35 177.46 2qqb h ASP 215 N 0.01 0.50 -0.61 2.29 3.32 -1.96 -2.25 116.42 117.72 2qqb h ASP 215 Ca -0.47 0.05 0.08 0.00 0.02 0.00 0.00 57.03 56.72 2qqb h ASP 215 Cb 1.24 -0.04 -0.07 0.00 0.22 0.00 0.00 39.33 40.69 2qqb h ASP 215 CO 0.54 0.29 0.26 0.44 -1.72 0.00 0.00 179.24 179.06 2qqb h ASP 216 N 0.63 0.31 -0.21 6.45 3.32 -1.98 0.13 116.42 125.08 2qqb h ASP 216 Ca 0.34 0.06 -0.07 0.00 0.02 0.00 0.00 57.03 57.38 2qqb h ASP 216 Cb 0.32 0.02 -0.00 0.00 0.22 0.00 0.00 39.33 39.89 2qqb h ASP 216 CO -0.25 0.19 -0.15 0.25 -1.72 0.00 0.00 179.24 177.56 2qqb h LEU 217 N 0.47 0.49 -1.18 1.55 5.85 -1.80 -2.86 115.31 117.83 2qqb h LEU 217 Ca 0.30 -0.45 0.09 0.00 0.84 0.00 0.00 57.88 58.67 2qqb h LEU 217 Cb 0.33 -0.14 -0.06 0.00 0.37 0.00 0.00 40.66 41.16 2qqb h LEU 217 CO -0.27 0.83 0.58 0.00 -0.34 0.00 0.00 178.44 179.24 2qqb h ALA 218 N 0.67 1.61 0.00 1.25 0.00 -1.09 -0.35 119.26 121.36 2qqb h ALA 218 Ca 0.04 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.94 2qqb h ALA 218 Cb 0.67 -0.22 0.00 0.00 0.00 0.00 0.00 17.79 18.24 2qqb h ALA 218 CO 0.04 0.21 0.00 0.45 0.00 0.00 0.00 179.25 179.95 2qqb h HIS 219 N 0.91 0.00 0.00 0.00 3.86 -0.61 -1.51 115.15 117.80 2qqb h HIS 219 Ca 0.41 0.00 -0.05 0.00 -1.16 0.00 0.00 60.37 59.57 2qqb h HIS 219 Cb 0.38 0.00 -0.01 0.00 1.06 0.00 0.00 27.41 28.84 2qqb h HIS 219 CO -0.00 0.00 -1.20 2.41 0.86 0.00 0.00 177.93 180.00 2qqb n THR 220 N -2.62 0.20 -1.94 2.45 -1.04 -0.92 -4.81 114.28 105.60 2qqb n THR 220 Ca 0.01 -0.11 -0.42 0.00 -2.04 0.00 0.00 64.05 61.49 2qqb n THR 220 Cb 0.25 -0.86 -0.03 0.00 -1.82 0.00 0.00 70.33 67.88 2qqb n THR 220 CO 0.00 0.00 0.00 -0.63 -0.64 0.00 0.00 175.07 173.80 2qqb s ILE 221 N -2.07 2.84 -0.10 12.58 1.01 -0.19 -4.82 121.20 130.45 2qqb s ILE 221 Ca -0.02 0.48 -0.04 0.00 0.00 0.00 0.00 60.65 61.07 2qqb s ILE 221 Cb 0.01 -3.31 -0.04 0.00 0.01 0.00 0.00 42.46 39.14 2qqb s ILE 221 CO 0.11 0.02 0.04 -0.13 0.00 0.00 0.00 174.94 174.98 2qqb s ARG 222 N 1.87 3.20 0.37 2.79 1.81 -0.76 -0.44 118.95 127.80 2qqb s ARG 222 Ca 0.72 -0.34 0.09 0.00 -1.72 0.00 0.00 55.73 54.47 2qqb s ARG 222 Cb -0.42 -2.93 -0.07 0.00 -0.45 0.00 0.00 34.95 31.09 2qqb s ARG 222 CO 0.32 0.67 -0.05 0.96 -0.68 0.00 0.00 175.30 176.52 2qqb s ILE 223 N -0.77 2.18 0.05 1.52 -5.25 0.37 0.78 121.20 120.09 2qqb s ILE 223 Ca 0.12 -2.11 0.03 0.00 -0.99 0.00 0.00 60.65 57.71 2qqb s ILE 223 Cb -0.12 -2.79 -0.03 0.00 2.95 0.00 0.00 42.46 42.48 2qqb s ILE 223 CO 0.02 -0.13 -0.10 -1.83 -1.79 0.00 0.00 174.94 171.11 2qqb s GLU 224 N -3.66 0.65 0.81 0.37 -1.05 0.11 -2.44 118.70 113.50 2qqb s GLU 224 Ca 0.34 -0.84 -0.14 0.00 -0.15 0.00 0.00 54.97 54.18 2qqb s GLU 224 Cb 0.05 -0.52 0.06 0.00 -0.44 0.00 0.00 34.13 33.28 2qqb s GLU 224 CO 0.17 0.11 0.98 0.39 0.95 0.00 0.00 175.26 177.86 2qqb n GLU 225 N 1.39 0.13 0.00 -4.83 -0.58 -1.26 -0.37 120.64 115.12 2qqb n GLU 225 Ca -0.22 0.11 0.10 0.00 -0.42 0.00 0.00 57.16 56.73 2qqb n GLU 225 Cb 0.54 -2.26 0.62 0.00 -0.57 0.00 0.00 31.44 29.78 2qqb n GLU 225 CO 0.00 0.00 0.00 1.28 -0.48 0.00 0.00 177.13 177.93