#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1qqb h ILE 4 N 0.00 0.69 -0.27 1.09 2.10 -2.00 -0.22 117.51 118.90 1qqb h ILE 4 Ca 0.00 0.00 -0.07 0.00 1.08 0.00 0.00 64.86 65.87 1qqb h ILE 4 Cb 0.00 0.95 -0.01 0.00 -1.09 0.00 0.00 36.82 36.67 1qqb h ILE 4 CO 0.00 0.00 -0.12 0.11 -1.08 0.00 0.00 178.15 177.06 1qqb h LYS 5 N 0.00 0.56 -0.92 2.19 6.56 -1.99 -1.97 116.57 121.00 1qqb h LYS 5 Ca 0.04 -0.24 0.05 0.00 -1.06 0.00 0.00 60.65 59.45 1qqb h LYS 5 Cb 0.18 -0.02 -0.06 0.00 -0.57 0.00 0.00 32.23 31.77 1qqb h LYS 5 CO -0.00 0.80 0.60 -0.44 -2.06 0.00 0.00 179.45 178.34 1qqb h ASP 6 N 0.30 0.94 0.47 0.86 3.32 -1.53 -2.09 116.42 118.69 1qqb h ASP 6 Ca 0.06 0.00 -0.02 0.00 0.02 0.00 0.00 57.03 57.09 1qqb h ASP 6 Cb 0.62 -0.20 0.00 0.00 0.22 0.00 0.00 39.33 39.97 1qqb h ASP 6 CO 0.04 0.62 -0.23 0.58 -1.72 0.00 0.00 179.24 178.53 1qqb h VAL 7 N 1.08 0.41 -0.78 -1.35 2.07 -0.90 -2.67 116.25 114.12 1qqb h VAL 7 Ca 0.38 -0.46 0.12 0.00 0.82 0.00 0.00 66.70 67.56 1qqb h VAL 7 Cb 0.13 0.57 -0.13 0.00 -1.52 0.00 0.00 31.29 30.35 1qqb h VAL 7 CO -0.14 0.06 -0.40 0.00 0.02 0.00 0.00 177.57 177.11 1qqb h ALA 8 N -0.62 -0.09 -0.93 1.67 0.00 -1.02 0.45 119.26 118.72 1qqb h ALA 8 Ca -0.06 0.19 0.06 0.00 0.00 0.00 0.00 54.91 55.10 1qqb h ALA 8 Cb 0.59 0.97 -0.06 0.00 0.00 0.00 0.00 17.79 19.28 1qqb h ALA 8 CO 0.11 -0.72 0.59 -0.22 0.00 0.00 0.00 179.25 179.00 1qqb h LYS 9 N -0.11 1.04 -0.64 0.00 3.64 -1.45 1.24 116.57 120.29 1qqb h LYS 9 Ca 0.25 -0.06 -0.06 0.00 -1.27 0.00 0.00 60.65 59.51 1qqb h LYS 9 Cb 0.56 -0.23 -0.03 0.00 -0.41 0.00 0.00 32.23 32.12 1qqb h LYS 9 CO -0.82 0.69 0.17 -0.09 -2.27 0.00 0.00 179.45 177.13 1qqb h ARG 10 N 1.07 1.02 -0.01 1.90 9.65 -0.60 -2.37 114.38 125.04 1qqb h ARG 10 Ca 0.40 -0.24 0.00 0.00 -1.10 0.00 0.00 59.98 59.05 1qqb h ARG 10 Cb 0.17 -0.14 0.00 0.00 -1.39 0.00 0.00 29.97 28.61 1qqb h ARG 10 CO -0.17 0.91 -0.02 0.00 2.80 0.00 0.00 179.97 183.49 1qqb n ALA 11 N -2.42 2.64 -3.72 2.80 0.00 0.09 -4.96 120.51 114.93 1qqb n ALA 11 Ca 0.04 -0.35 -0.32 0.00 0.00 0.00 0.00 53.44 52.81 1qqb n ALA 11 Cb 0.24 -1.29 0.04 0.00 0.00 0.00 0.00 19.45 18.43 1qqb n ALA 11 CO 0.00 0.00 0.00 0.27 0.00 0.00 0.00 177.50 177.77 1qqb n ASN 12 N -0.31 -4.79 -3.81 0.00 0.23 0.40 -4.87 115.26 102.13 1qqb n ASN 12 Ca 0.20 -1.03 -0.12 0.00 -0.53 0.00 0.00 54.58 53.11 1qqb n ASN 12 Cb 0.27 -3.28 -0.06 0.00 -2.08 0.00 0.00 39.78 34.63 1qqb n ASN 12 CO 0.00 0.00 0.00 0.68 -0.93 0.00 0.00 177.26 177.01 1qqb s VAL 13 N -3.51 0.00 0.90 3.53 -7.23 -0.92 -5.01 120.40 108.16 1qqb s VAL 13 Ca 0.43 -1.61 -0.13 0.00 -1.81 0.00 0.00 61.98 58.85 1qqb s VAL 13 Cb -0.16 -2.41 0.17 0.00 0.56 0.00 0.00 36.38 34.53 1qqb s VAL 13 CO 0.87 0.00 1.25 -0.94 -0.31 0.00 0.00 175.10 175.97 1qqb s SER 14 N -3.12 3.56 0.12 4.85 1.04 -1.26 -4.14 113.70 114.74 1qqb s SER 14 Ca 0.29 0.31 0.00 0.00 0.48 0.00 0.00 55.95 57.04 1qqb s SER 14 Cb 0.01 -0.50 -0.17 0.00 0.10 0.00 0.00 66.02 65.47 1qqb s SER 14 CO 0.13 -2.45 1.26 0.71 0.98 0.00 0.00 173.24 173.87 1qqb h THR 15 N -1.39 1.54 -0.72 2.02 1.35 -1.93 -2.81 112.91 110.98 1qqb h THR 15 Ca -0.44 -2.97 0.14 0.00 -0.55 0.00 0.00 66.41 62.59 1qqb h THR 15 Cb 1.26 2.74 -0.09 0.00 -1.73 0.00 0.00 68.15 70.32 1qqb h THR 15 CO 0.44 0.86 0.25 0.74 -0.25 0.00 0.00 175.52 177.57 1qqb h THR 16 N 0.08 0.64 0.71 6.82 2.02 -1.97 0.67 112.91 121.89 1qqb h THR 16 Ca -0.07 -0.13 -0.03 0.00 0.77 0.00 0.00 66.41 66.94 1qqb h THR 16 Cb 1.75 0.22 0.00 0.00 -1.74 0.00 0.00 68.15 68.39 1qqb h THR 16 CO 0.16 0.07 -0.39 0.74 0.37 0.00 0.00 175.52 176.47 1qqb h THR 17 N 0.39 0.00 -0.93 3.16 2.02 -1.90 -0.92 112.91 114.73 1qqb h THR 17 Ca 0.39 0.00 0.25 0.00 0.77 0.00 0.00 66.41 67.82 1qqb h THR 17 Cb 0.60 0.00 -0.17 0.00 -1.74 0.00 0.00 68.15 66.84 1qqb h THR 17 CO -0.41 0.00 0.08 0.58 0.37 0.00 0.00 175.52 176.14 1qqb h VAL 18 N -1.02 0.13 0.78 3.16 2.07 -0.79 0.11 116.25 120.69 1qqb h VAL 18 Ca -0.10 -0.02 -0.04 0.00 0.82 0.00 0.00 66.70 67.37 1qqb h VAL 18 Cb 0.80 0.06 -0.00 0.00 -1.52 0.00 0.00 31.29 30.63 1qqb h VAL 18 CO 0.13 0.01 -0.45 -1.28 0.02 0.00 0.00 177.57 176.00 1qqb h SER 19 N 0.06 -1.12 -0.86 0.57 0.87 0.71 -0.22 113.55 113.57 1qqb h SER 19 Ca 0.57 0.06 0.18 0.00 -1.23 0.00 0.00 61.79 61.37 1qqb h SER 19 Cb 1.15 0.32 -0.06 0.00 -0.44 0.00 0.00 62.40 63.37 1qqb h SER 19 CO -0.82 -0.71 0.57 0.45 -0.53 0.00 0.00 176.83 175.79 1qqb h HIS 20 N -1.14 0.53 -0.36 2.24 3.86 0.56 0.21 115.15 121.06 1qqb h HIS 20 Ca -0.10 0.02 -0.15 0.00 -1.16 0.00 0.00 60.37 58.98 1qqb h HIS 20 Cb 0.90 -0.17 -0.01 0.00 1.06 0.00 0.00 27.41 29.20 1qqb h HIS 20 CO -0.06 0.16 -0.34 -0.39 0.86 0.00 0.00 177.93 178.16 1qqb h VAL 21 N 0.42 1.28 -0.91 2.45 -1.51 -0.85 1.40 116.25 118.53 1qqb h VAL 21 Ca 0.44 -1.51 -0.01 0.00 -1.23 0.00 0.00 66.70 64.38 1qqb h VAL 21 Cb 1.05 1.43 -0.04 0.00 -2.13 0.00 0.00 31.29 31.60 1qqb h VAL 21 CO -0.16 0.50 0.53 0.40 -1.23 0.00 0.00 177.57 177.61 1qqb h ILE 22 N 0.66 1.26 -0.56 7.19 5.03 0.12 -2.93 117.51 128.28 1qqb h ILE 22 Ca 0.06 -0.58 0.00 0.00 -0.12 0.00 0.00 64.86 64.21 1qqb h ILE 22 Cb 0.93 -0.01 0.00 0.00 -3.03 0.00 0.00 36.82 34.71 1qqb h ILE 22 CO 0.09 0.28 0.00 0.59 -0.68 0.00 0.00 178.15 178.42 1qqb n ASN 23 N -4.36 3.55 -4.11 1.72 3.02 0.00 -4.94 115.26 110.14 1qqb n ASN 23 Ca 0.10 -2.02 -0.33 0.00 -0.03 0.00 0.00 54.58 52.30 1qqb n ASN 23 Cb 0.07 -0.38 -0.02 0.00 -0.61 0.00 0.00 39.78 38.84 1qqb n ASN 23 CO 0.00 0.00 0.00 0.29 -2.62 0.00 0.00 177.26 174.93 1qqb n LYS 24 N 1.13 -3.57 0.00 3.52 5.02 0.47 -4.82 118.16 119.90 1qqb n LYS 24 Ca 0.19 0.42 0.13 0.00 -2.02 0.00 0.00 58.31 57.03 1qqb n LYS 24 Cb 0.55 -5.03 0.43 0.00 -0.02 0.00 0.00 35.03 30.96 1qqb n LYS 24 CO 0.00 0.00 0.00 -2.37 -0.52 0.00 0.00 177.40 174.51 1qqb n THR 25 N -4.44 0.00 -3.58 -0.18 5.66 -0.56 -4.93 114.28 106.25 1qqb n THR 25 Ca -0.02 -0.08 -0.06 0.00 -3.05 0.00 0.00 64.05 60.84 1qqb n THR 25 Cb 0.54 0.19 -0.02 0.00 -1.55 0.00 0.00 70.33 69.50 1qqb n THR 25 CO 0.00 0.00 0.00 0.00 -3.05 0.00 0.00 175.07 172.02 1qqb s ARG 26 N -2.61 0.83 0.29 1.09 1.70 -1.26 -5.08 118.95 113.90 1qqb s ARG 26 Ca 0.23 -0.36 -0.29 0.00 -0.47 0.00 0.00 55.73 54.83 1qqb s ARG 26 Cb 0.19 0.35 -0.10 0.00 -0.57 0.00 0.00 34.95 34.81 1qqb s ARG 26 CO 0.54 -0.37 1.41 0.12 -1.08 0.00 0.00 175.30 175.92 1qqb s PHE 27 N -3.04 2.98 -0.03 5.89 2.19 -1.26 -4.81 117.98 119.90 1qqb s PHE 27 Ca 0.08 1.15 0.00 0.00 0.33 0.00 0.00 56.93 58.49 1qqb s PHE 27 Cb -0.01 -3.81 0.02 0.00 -1.31 0.00 0.00 43.02 37.92 1qqb s PHE 27 CO -0.06 -2.49 -0.00 0.08 1.83 0.00 0.00 175.22 174.58 1qqb s VAL 28 N -0.44 0.18 0.33 3.12 1.01 -1.26 -5.08 120.40 118.27 1qqb s VAL 28 Ca 0.56 0.06 -0.26 0.00 0.00 0.00 0.00 61.98 62.33 1qqb s VAL 28 Cb -0.42 -0.26 -0.13 0.00 0.00 0.00 0.00 36.38 35.57 1qqb s VAL 28 CO 0.48 0.13 0.96 0.00 0.00 0.00 0.00 175.10 176.67 1qqb n ALA 29 N 3.98 -0.28 -0.03 5.51 0.00 -1.26 -4.64 120.51 123.79 1qqb n ALA 29 Ca -0.25 0.33 -0.06 0.00 0.00 0.00 0.00 53.44 53.46 1qqb n ALA 29 Cb 0.51 -2.01 -0.04 0.00 0.00 0.00 0.00 19.45 17.92 1qqb n ALA 29 CO 0.00 0.00 0.00 0.93 0.00 0.00 0.00 177.50 178.43 1qqb h GLU 30 N 1.74 -0.19 -0.70 0.00 5.08 -2.00 0.42 114.58 118.94 1qqb h GLU 30 Ca -0.41 0.01 0.15 0.00 -1.00 0.00 0.00 59.36 58.11 1qqb h GLU 30 Cb 1.35 0.04 -0.13 0.00 0.50 0.00 0.00 28.75 30.51 1qqb h GLU 30 CO 0.59 -0.12 -0.08 0.93 -1.00 0.00 0.00 179.01 179.33 1qqb h GLU 31 N -0.19 0.05 0.11 2.33 5.08 -1.99 0.50 114.58 120.47 1qqb h GLU 31 Ca 0.02 -0.00 0.02 0.00 -1.00 0.00 0.00 59.36 58.40 1qqb h GLU 31 Cb 0.25 -0.01 -0.04 0.00 0.50 0.00 0.00 28.75 29.45 1qqb h GLU 31 CO -0.21 0.04 -0.38 1.15 -1.00 0.00 0.00 179.01 178.61 1qqb h THR 32 N 0.06 0.22 -0.53 1.13 2.02 -1.67 0.24 112.91 114.37 1qqb h THR 32 Ca 0.36 0.00 0.11 0.00 0.77 0.00 0.00 66.41 67.64 1qqb h THR 32 Cb 0.59 0.22 -0.10 0.00 -1.74 0.00 0.00 68.15 67.12 1qqb h THR 32 CO -0.66 0.00 -0.12 0.03 0.37 0.00 0.00 175.52 175.14 1qqb h ARG 33 N -0.60 0.01 -0.24 6.66 3.08 0.19 -0.93 114.38 122.54 1qqb h ARG 33 Ca 0.03 -0.00 0.05 0.00 0.07 0.00 0.00 59.98 60.13 1qqb h ARG 33 Cb 0.64 -0.00 -0.05 0.00 0.08 0.00 0.00 29.97 30.63 1qqb h ARG 33 CO -0.23 0.00 -0.10 -0.91 -1.07 0.00 0.00 179.97 177.66 1qqb h ASN 34 N 0.01 -0.34 -0.25 7.04 -0.26 0.13 0.21 115.58 122.12 1qqb h ASN 34 Ca 0.25 0.09 0.05 0.00 -0.56 0.00 0.00 56.30 56.13 1qqb h ASN 34 Cb 0.39 0.20 -0.05 0.00 -1.06 0.00 0.00 38.32 37.80 1qqb h ASN 34 CO -0.54 -0.13 -0.07 0.00 -1.06 0.00 0.00 177.43 175.64 1qqb h ALA 35 N 1.16 0.16 -0.16 -0.83 0.00 0.19 0.30 119.26 120.08 1qqb h ALA 35 Ca 0.13 0.10 0.03 0.00 0.00 0.00 0.00 54.91 55.16 1qqb h ALA 35 Cb 0.25 0.20 -0.02 0.00 0.00 0.00 0.00 17.79 18.22 1qqb h ALA 35 CO -0.29 -0.48 0.00 0.28 0.00 0.00 0.00 179.25 178.77 1qqb h VAL 36 N -0.01 0.89 -0.57 0.00 2.07 -0.63 0.15 116.25 118.15 1qqb h VAL 36 Ca 0.12 -0.02 0.07 0.00 0.82 0.00 0.00 66.70 67.69 1qqb h VAL 36 Cb 0.19 0.83 -0.06 0.00 -1.52 0.00 0.00 31.29 30.73 1qqb h VAL 36 CO -0.26 0.01 0.26 -0.50 0.02 0.00 0.00 177.57 177.10 1qqb h TRP 37 N 0.06 0.46 0.20 1.57 -0.00 0.30 0.97 115.95 119.51 1qqb h TRP 37 Ca 0.07 0.03 0.01 0.00 -0.00 0.00 0.00 58.89 59.00 1qqb h TRP 37 Cb 0.09 -0.12 -0.02 0.00 -0.00 0.00 0.00 29.16 29.11 1qqb h TRP 37 CO -0.15 0.18 -0.22 0.00 -0.00 0.00 0.00 178.44 178.25 1qqb h ALA 38 N 1.35 -0.43 -0.52 1.49 0.00 0.45 0.16 119.26 121.76 1qqb h ALA 38 Ca 0.27 -0.06 0.10 0.00 0.00 0.00 0.00 54.91 55.22 1qqb h ALA 38 Cb 0.25 0.32 -0.09 0.00 0.00 0.00 0.00 17.79 18.28 1qqb h ALA 38 CO -0.23 -0.77 0.01 0.00 0.00 0.00 0.00 179.25 178.26 1qqb h ALA 39 N 0.26 0.50 -0.65 0.00 0.00 -0.31 0.17 119.26 119.23 1qqb h ALA 39 Ca 0.00 0.15 0.12 0.00 0.00 0.00 0.00 54.91 55.19 1qqb h ALA 39 Cb 0.44 0.26 -0.09 0.00 0.00 0.00 0.00 17.79 18.40 1qqb h ALA 39 CO -0.07 -0.38 0.19 0.82 0.00 0.00 0.00 179.25 179.81 1qqb h ILE 40 N 0.12 0.66 0.38 0.00 1.08 -0.22 -0.08 117.51 119.45 1qqb h ILE 40 Ca 0.26 -0.11 -0.02 0.00 -0.39 0.00 0.00 64.86 64.60 1qqb h ILE 40 Cb 0.40 0.30 0.00 0.00 -3.07 0.00 0.00 36.82 34.45 1qqb h ILE 40 CO -0.43 0.06 -0.18 0.11 -0.69 0.00 0.00 178.15 177.02 1qqb h LYS 41 N 0.33 -0.49 0.18 2.37 6.56 0.13 -1.24 116.57 124.41 1qqb h LYS 41 Ca 0.34 0.03 0.01 0.00 -1.06 0.00 0.00 60.65 59.98 1qqb h LYS 41 Cb 0.50 0.11 -0.03 0.00 -0.57 0.00 0.00 32.23 32.24 1qqb h LYS 41 CO -0.39 -0.19 -0.32 0.93 -2.06 0.00 0.00 179.45 177.42 1qqb h GLU 42 N -0.79 -0.56 0.00 3.15 5.08 -0.84 0.19 114.58 120.80 1qqb h GLU 42 Ca -0.05 0.04 0.00 0.00 -1.00 0.00 0.00 59.36 58.35 1qqb h GLU 42 Cb 0.53 0.13 0.00 0.00 0.50 0.00 0.00 28.75 29.90 1qqb h GLU 42 CO 0.09 -0.37 0.09 -0.07 -1.00 0.00 0.00 179.01 177.74 1qqb h LEU 43 N -0.58 0.00 -1.92 1.33 4.07 -1.09 -3.45 115.31 113.67 1qqb h LEU 43 Ca 0.02 0.00 -0.30 0.00 0.08 0.00 0.00 57.88 57.68 1qqb h LEU 43 Cb 0.59 0.00 0.18 0.00 1.08 0.00 0.00 40.66 42.51 1qqb h LEU 43 CO -0.15 0.00 -0.79 1.41 -1.08 0.00 0.00 178.44 177.82 1qqb n HIS 44 N -2.34 -2.27 -2.86 1.13 8.25 0.65 -4.94 115.22 112.85 1qqb n HIS 44 Ca -0.02 0.91 -0.40 0.00 -0.26 0.00 0.00 57.72 57.95 1qqb n HIS 44 Cb 0.12 -4.74 -0.05 0.00 1.12 0.00 0.00 29.99 26.44 1qqb n HIS 44 CO 0.00 0.00 0.00 -0.47 0.64 0.00 0.00 176.34 176.51 1qqb s TYR 45 N -3.37 3.77 -0.13 4.41 5.04 -0.55 -5.05 117.35 121.47 1qqb s TYR 45 Ca 0.15 1.63 -0.02 0.00 -2.44 0.00 0.00 57.07 56.40 1qqb s TYR 45 Cb -0.02 -2.94 0.04 0.00 0.35 0.00 0.00 41.96 39.40 1qqb s TYR 45 CO 0.73 0.23 -0.00 0.45 -1.34 0.00 0.00 175.55 175.62 1qqb s SER 46 N 0.00 2.29 0.23 4.32 0.15 -1.26 -4.98 113.70 114.46 1qqb s SER 46 Ca 0.43 -0.45 -0.30 0.00 0.70 0.00 0.00 55.95 56.33 1qqb s SER 46 Cb -0.22 -0.61 -0.10 0.00 -1.71 0.00 0.00 66.02 63.39 1qqb s SER 46 CO 0.26 -0.22 1.38 -2.16 1.20 0.00 0.00 173.24 173.70 1qqb s PRO 47 N 1.85 4.32 -0.06 5.44 0.04 -1.26 -4.94 135.00 140.39 1qqb s PRO 47 Ca 0.02 2.20 -0.30 0.00 0.04 0.00 0.00 61.00 62.96 1qqb s PRO 47 Cb -0.14 -3.14 -0.04 0.00 0.04 0.00 0.00 34.50 31.21 1qqb s PRO 47 CO -0.07 -0.34 1.43 0.45 0.04 0.00 0.00 177.00 178.51 1qqb s SER 48 N 0.33 6.83 0.23 6.66 0.15 -1.26 -4.84 113.70 121.79 1qqb s SER 48 Ca 0.58 2.04 0.25 0.00 0.70 0.00 0.00 55.95 59.52 1qqb s SER 48 Cb -0.40 -2.55 0.91 0.00 -1.71 0.00 0.00 66.02 62.27 1qqb s SER 48 CO 0.41 -0.78 1.74 0.00 1.20 0.00 0.00 173.24 175.81 1qqb n ALA 49 N 6.16 1.95 0.11 5.45 0.00 -1.26 -1.74 120.51 131.17 1qqb n ALA 49 Ca 0.14 0.03 -0.21 0.00 0.00 0.00 0.00 53.44 53.40 1qqb n ALA 49 Cb 0.44 -1.42 -0.15 0.00 0.00 0.00 0.00 19.45 18.31 1qqb n ALA 49 CO 0.00 0.00 0.00 -0.24 0.00 0.00 0.00 177.50 177.26 1qqb h VAL 50 N 0.00 1.24 0.19 0.00 3.04 -1.98 0.18 116.25 118.91 1qqb h VAL 50 Ca 0.00 -2.76 -0.01 0.00 -1.01 0.00 0.00 66.70 62.92 1qqb h VAL 50 Cb 0.53 2.93 -0.00 0.00 -2.01 0.00 0.00 31.29 32.73 1qqb h VAL 50 CO 0.00 0.84 -0.12 0.00 -1.01 0.00 0.00 177.57 177.28 1qqb h ALA 51 N 0.30 -0.28 -0.86 3.17 0.00 -1.89 -1.00 119.26 118.69 1qqb h ALA 51 Ca -0.25 -0.05 -0.01 0.00 0.00 0.00 0.00 54.91 54.60 1qqb h ALA 51 Cb 2.09 0.14 -0.04 0.00 0.00 0.00 0.00 17.79 19.98 1qqb h ALA 51 CO 0.22 -0.67 0.48 -0.09 0.00 0.00 0.00 179.25 179.20 1qqb h ARG 52 N -0.30 1.19 -0.26 0.00 2.43 -1.38 -2.04 114.38 114.03 1qqb h ARG 52 Ca -0.02 -0.13 -0.03 0.00 -0.81 0.00 0.00 59.98 58.99 1qqb h ARG 52 Cb 0.25 -0.24 -0.01 0.00 -0.42 0.00 0.00 29.97 29.55 1qqb h ARG 52 CO 0.02 0.87 0.02 0.77 -1.51 0.00 0.00 179.97 180.14 1qqb h SER 53 N 1.20 0.35 -0.27 -3.80 0.02 -0.01 0.15 113.55 111.18 1qqb h SER 53 Ca 0.30 -0.05 -0.02 0.00 -0.84 0.00 0.00 61.79 61.19 1qqb h SER 53 Cb 0.01 -0.09 -0.01 0.00 0.14 0.00 0.00 62.40 62.45 1qqb h SER 53 CO -0.05 0.40 0.11 0.25 -1.14 0.00 0.00 176.83 176.39 1qqb h LEU 54 N 0.38 0.37 -0.27 5.07 5.85 -0.62 0.21 115.31 126.30 1qqb h LEU 54 Ca 0.09 -0.17 -0.11 0.00 0.84 0.00 0.00 57.88 58.53 1qqb h LEU 54 Cb 0.22 -0.10 -0.00 0.00 0.37 0.00 0.00 40.66 41.15 1qqb h LEU 54 CO 0.00 0.44 -0.27 0.00 -0.34 0.00 0.00 178.44 178.27 1qqb h ALA 55 N 0.95 0.40 0.00 1.25 0.00 -0.80 -3.33 119.26 117.73 1qqb h ALA 55 Ca 0.09 -0.39 -0.04 0.00 0.00 0.00 0.00 54.91 54.57 1qqb h ALA 55 Cb 0.18 -0.09 -0.01 0.00 0.00 0.00 0.00 17.79 17.88 1qqb h ALA 55 CO -0.01 0.40 -0.76 -0.39 0.00 0.00 0.00 179.25 178.49 1qqb h VAL 56 N 0.39 0.16 -1.06 0.00 -1.51 -0.67 -3.49 116.25 110.07 1qqb h VAL 56 Ca 0.04 -1.27 -0.02 0.00 -1.23 0.00 0.00 66.70 64.21 1qqb h VAL 56 Cb 0.83 1.80 0.01 0.00 -2.13 0.00 0.00 31.29 31.80 1qqb h VAL 56 CO 0.07 0.09 -0.04 -3.20 -1.23 0.00 0.00 177.57 173.26 1qqb n ASN 57 N -2.87 -2.06 -3.64 4.19 5.15 0.72 -5.05 115.26 111.69 1qqb n ASN 57 Ca -0.00 -0.03 -0.07 0.00 -0.60 0.00 0.00 54.58 53.88 1qqb n ASN 57 Cb 0.61 -0.77 -0.07 0.00 -0.53 0.00 0.00 39.78 39.02 1qqb n ASN 57 CO 0.00 0.00 0.00 -1.38 1.40 0.00 0.00 177.26 177.28 1qqb s HIS 58 N -2.82 -0.32 -0.60 1.20 -3.43 -1.22 -5.07 115.29 103.03 1qqb s HIS 58 Ca 0.03 0.77 0.23 0.00 -0.80 0.00 0.00 55.06 55.29 1qqb s HIS 58 Cb -0.01 0.41 0.03 0.00 -1.43 0.00 0.00 32.58 31.57 1qqb s HIS 58 CO 0.03 -0.16 1.00 0.25 -2.00 0.00 0.00 174.74 173.86 1qqb n THR 59 N 1.88 0.17 -3.62 -5.38 -2.24 -1.26 -4.54 114.28 99.29 1qqb n THR 59 Ca -0.11 -0.25 -0.24 0.00 -2.27 0.00 0.00 64.05 61.18 1qqb n THR 59 Cb 0.56 0.21 0.07 0.00 -2.10 0.00 0.00 70.33 69.08 1qqb n THR 59 CO 0.00 0.00 0.00 1.17 -0.57 0.00 0.00 175.07 175.67 1qqb n LYS 60 N -1.97 -7.51 -3.86 -0.78 3.00 -1.26 -4.93 118.16 100.85 1qqb n LYS 60 Ca 0.02 0.80 -0.12 0.00 -0.00 0.00 0.00 58.31 59.01 1qqb n LYS 60 Cb 0.44 -5.83 -0.11 0.00 0.00 0.00 0.00 35.03 29.53 1qqb n LYS 60 CO 0.00 0.00 0.00 -1.54 0.00 0.00 0.00 177.40 175.86 1qqb s SER 61 N -3.44 -0.04 0.10 3.14 1.04 -1.26 -2.11 113.70 111.12 1qqb s SER 61 Ca 0.53 0.02 0.10 0.00 0.48 0.00 0.00 55.95 57.08 1qqb s SER 61 Cb -0.24 0.23 -0.03 0.00 0.10 0.00 0.00 66.02 66.08 1qqb s SER 61 CO 0.74 -0.19 -0.25 0.27 0.98 0.00 0.00 173.24 174.80 1qqb s ILE 62 N -0.62 2.03 -0.14 -1.02 -5.25 0.11 -0.75 121.20 115.57 1qqb s ILE 62 Ca -0.07 -1.57 -0.03 0.00 -0.99 0.00 0.00 60.65 58.00 1qqb s ILE 62 Cb -0.04 -1.79 -0.03 0.00 2.95 0.00 0.00 42.46 43.55 1qqb s ILE 62 CO 0.01 0.12 -0.05 -0.83 -1.79 0.00 0.00 174.94 172.40 1qqb s GLY 63 N -1.75 1.70 -0.39 6.27 0.00 -0.82 -1.42 107.32 110.92 1qqb s GLY 63 Ca 0.11 -0.83 -0.10 0.00 0.00 0.00 0.00 44.72 43.90 1qqb s GLY 63 CO 0.04 -0.17 0.22 -2.27 0.00 0.00 0.00 173.10 170.92 1qqb s LEU 64 N 0.16 4.87 -0.98 0.66 2.96 0.40 0.11 118.68 126.86 1qqb s LEU 64 Ca -0.02 -1.24 -0.15 0.00 -0.22 0.00 0.00 54.13 52.50 1qqb s LEU 64 Cb -0.14 -1.99 0.18 0.00 0.50 0.00 0.00 46.19 44.74 1qqb s LEU 64 CO 0.03 -0.45 1.10 -0.22 -1.32 0.00 0.00 176.35 175.49 1qqb s LEU 65 N 1.48 5.63 0.00 -0.68 2.96 0.54 0.06 118.68 128.67 1qqb s LEU 65 Ca 0.02 -2.57 0.00 0.00 -0.22 0.00 0.00 54.13 51.36 1qqb s LEU 65 Cb -0.21 -2.33 0.00 0.00 0.50 0.00 0.00 46.19 44.15 1qqb s LEU 65 CO 0.04 -0.79 0.00 0.00 -1.32 0.00 0.00 176.35 174.28 1qqb n ALA 66 N 5.29 0.00 0.01 5.97 0.00 0.22 -1.27 120.51 130.72 1qqb n ALA 66 Ca 0.24 0.00 -0.03 0.00 0.00 0.00 0.00 53.44 53.65 1qqb n ALA 66 Cb 0.46 0.00 -0.01 0.00 0.00 0.00 0.00 19.45 19.90 1qqb n ALA 66 CO 0.00 0.00 0.00 2.41 0.00 0.00 0.00 177.50 179.91 1qqb n THR 67 N -0.65 1.29 -3.82 0.00 -1.04 -1.04 -2.40 114.28 106.62 1qqb n THR 67 Ca 0.00 0.32 -0.09 0.00 -2.04 0.00 0.00 64.05 62.24 1qqb n THR 67 Cb 0.00 -1.82 -0.07 0.00 -1.82 0.00 0.00 70.33 66.63 1qqb n THR 67 CO 0.00 0.00 0.00 -0.55 -0.64 0.00 0.00 175.07 173.88 1qqb s SER 68 N -5.94 0.06 0.00 8.00 0.15 -1.26 -1.43 113.70 113.28 1qqb s SER 68 Ca -0.09 -0.59 0.00 0.00 0.70 0.00 0.00 55.95 55.97 1qqb s SER 68 Cb 0.01 0.36 0.00 0.00 -1.71 0.00 0.00 66.02 64.69 1qqb s SER 68 CO 0.13 -0.75 0.21 -1.54 1.20 0.00 0.00 173.24 172.50 1qqb n SER 69 N -0.08 0.43 0.03 5.45 3.41 -1.26 -4.78 113.62 116.81 1qqb n SER 69 Ca -0.15 -0.77 -0.19 0.00 -0.26 0.00 0.00 58.87 57.50 1qqb n SER 69 Cb 0.63 0.22 -0.14 0.00 -0.26 0.00 0.00 64.21 64.66 1qqb n SER 69 CO 0.00 0.00 0.00 -0.08 -0.16 0.00 0.00 175.04 174.80 1qqb h GLU 70 N 0.00 0.25 -6.19 4.33 4.22 -1.99 -3.31 114.58 111.89 1qqb h GLU 70 Ca 0.00 -0.42 -0.72 0.00 0.08 0.00 0.00 59.36 58.30 1qqb h GLU 70 Cb 0.11 0.16 0.04 0.00 0.50 0.00 0.00 28.75 29.56 1qqb h GLU 70 CO 0.00 1.20 0.60 0.00 -2.18 0.00 0.00 179.01 178.64 1qqb n ALA 71 N -2.70 -0.89 -0.33 2.92 0.00 -1.26 -4.57 120.51 113.68 1qqb n ALA 71 Ca -0.15 0.47 -0.03 0.00 0.00 0.00 0.00 53.44 53.73 1qqb n ALA 71 Cb 0.78 -2.10 -0.00 0.00 0.00 0.00 0.00 19.45 18.13 1qqb n ALA 71 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1qqb n ALA 72 N 3.58 -0.24 0.05 0.00 0.00 -1.26 0.60 120.51 123.23 1qqb n ALA 72 Ca 0.22 0.80 -0.12 0.00 0.00 0.00 0.00 53.44 54.34 1qqb n ALA 72 Cb 0.15 -0.30 -0.05 0.00 0.00 0.00 0.00 19.45 19.25 1qqb n ALA 72 CO 0.00 0.00 0.00 -0.92 0.00 0.00 0.00 177.50 176.58 1qqb h TYR 73 N 0.00 -0.89 0.11 0.00 3.20 -1.97 0.39 116.97 117.81 1qqb h TYR 73 Ca 0.24 0.03 -0.01 0.00 3.14 0.00 0.00 58.73 62.14 1qqb h TYR 73 Cb 0.45 0.40 0.00 0.00 1.54 0.00 0.00 36.73 39.12 1qqb h TYR 73 CO -0.78 -0.41 -0.05 0.74 -1.64 0.00 0.00 178.16 176.02 1qqb h PHE 74 N -0.46 -0.14 -1.01 -3.82 0.04 -1.21 -2.60 116.94 107.75 1qqb h PHE 74 Ca 0.07 -0.00 0.22 0.00 2.80 0.00 0.00 57.97 61.06 1qqb h PHE 74 Cb 0.56 0.05 -0.12 0.00 2.20 0.00 0.00 35.95 38.64 1qqb h PHE 74 CO -0.36 0.04 0.60 0.00 -0.60 0.00 0.00 178.31 178.00 1qqb h ALA 75 N 0.57 1.75 -0.23 2.45 0.00 0.45 0.16 119.26 124.41 1qqb h ALA 75 Ca -0.02 0.10 -0.09 0.00 0.00 0.00 0.00 54.91 54.90 1qqb h ALA 75 Cb 0.25 -0.03 -0.01 0.00 0.00 0.00 0.00 17.79 18.00 1qqb h ALA 75 CO 0.03 -0.18 -0.26 0.93 0.00 0.00 0.00 179.25 179.76 1qqb h GLU 76 N 0.66 0.45 0.14 0.00 5.08 -0.59 -1.73 114.58 118.59 1qqb h GLU 76 Ca 0.62 -0.17 -0.01 0.00 -1.00 0.00 0.00 59.36 58.80 1qqb h GLU 76 Cb 1.09 -0.03 0.00 0.00 0.50 0.00 0.00 28.75 30.32 1qqb h GLU 76 CO -0.43 0.68 -0.07 0.82 -1.00 0.00 0.00 179.01 179.01 1qqb h ILE 77 N 0.39 0.99 -0.44 3.13 2.04 -0.39 -3.06 117.51 120.17 1qqb h ILE 77 Ca 0.06 -1.11 0.09 0.00 1.00 0.00 0.00 64.86 64.90 1qqb h ILE 77 Cb 0.67 1.62 -0.09 0.00 -0.74 0.00 0.00 36.82 38.28 1qqb h ILE 77 CO 0.05 0.24 -0.15 0.40 0.00 0.00 0.00 178.15 178.69 1qqb h ILE 78 N -0.76 0.48 -0.98 -0.67 2.04 -1.06 0.24 117.51 116.80 1qqb h ILE 78 Ca -0.02 0.00 0.14 0.00 1.00 0.00 0.00 64.86 65.98 1qqb h ILE 78 Cb 0.53 0.48 -0.09 0.00 -0.74 0.00 0.00 36.82 37.00 1qqb h ILE 78 CO 0.03 0.00 0.60 -0.08 0.00 0.00 0.00 178.15 178.70 1qqb h GLU 79 N -0.05 0.85 0.49 2.37 4.81 -1.39 0.12 114.58 121.78 1qqb h GLU 79 Ca 0.22 -0.05 -0.02 0.00 -0.13 0.00 0.00 59.36 59.37 1qqb h GLU 79 Cb 0.38 -0.19 0.00 0.00 0.63 0.00 0.00 28.75 29.57 1qqb h GLU 79 CO -0.48 0.56 -0.23 0.00 -0.73 0.00 0.00 179.01 178.12 1qqb h ALA 80 N 1.57 -0.66 -0.49 2.92 0.00 -0.57 -2.32 119.26 119.72 1qqb h ALA 80 Ca 0.52 -0.15 0.10 0.00 0.00 0.00 0.00 54.91 55.37 1qqb h ALA 80 Cb 0.63 0.25 -0.10 0.00 0.00 0.00 0.00 17.79 18.57 1qqb h ALA 80 CO -0.31 -0.85 -0.17 0.28 0.00 0.00 0.00 179.25 178.19 1qqb h VAL 81 N -0.69 0.42 -0.90 0.00 2.07 0.15 -1.07 116.25 116.23 1qqb h VAL 81 Ca -0.07 0.00 0.10 0.00 0.82 0.00 0.00 66.70 67.55 1qqb h VAL 81 Cb 0.52 0.42 -0.07 0.00 -1.52 0.00 0.00 31.29 30.64 1qqb h VAL 81 CO 0.11 0.00 0.58 1.05 0.02 0.00 0.00 177.57 179.33 1qqb h GLU 82 N -0.06 0.86 -0.32 1.57 -0.00 -0.66 -1.71 114.58 114.25 1qqb h GLU 82 Ca 0.23 -0.05 0.06 0.00 -0.00 0.00 0.00 59.36 59.60 1qqb h GLU 82 Cb 0.42 -0.19 -0.05 0.00 -0.00 0.00 0.00 28.75 28.93 1qqb h GLU 82 CO -0.54 0.57 -0.01 0.87 -0.00 0.00 0.00 179.01 179.90 1qqb h LYS 83 N 0.88 0.07 -0.51 1.06 1.57 -0.63 -0.67 116.57 118.34 1qqb h LYS 83 Ca 0.42 -0.00 -0.07 0.00 -1.87 0.00 0.00 60.65 59.13 1qqb h LYS 83 Cb 0.43 -0.02 -0.02 0.00 0.08 0.00 0.00 32.23 32.70 1qqb h LYS 83 CO -0.18 0.05 0.04 -0.91 -0.57 0.00 0.00 179.45 177.87 1qqb h ASN 84 N 0.08 0.79 0.95 0.86 2.35 -1.12 -1.17 115.58 118.31 1qqb h ASN 84 Ca 0.16 -0.18 -0.05 0.00 -0.55 0.00 0.00 56.30 55.68 1qqb h ASN 84 Cb 0.22 -0.21 0.01 0.00 0.05 0.00 0.00 38.32 38.39 1qqb h ASN 84 CO -0.27 0.83 -0.46 0.00 -1.65 0.00 0.00 177.43 175.88 1qqb h PHE 86 N -1.33 0.15 -0.54 0.00 3.57 -1.08 0.24 116.94 117.95 1qqb h PHE 86 Ca -0.13 0.05 0.05 0.00 3.53 0.00 0.00 57.97 61.47 1qqb h PHE 86 Cb 0.98 0.07 -0.03 0.00 2.79 0.00 0.00 35.95 39.76 1qqb h PHE 86 CO 0.00 -0.23 0.36 0.37 -2.23 0.00 0.00 178.31 176.59 1qqb h GLN 87 N 0.16 0.53 -0.43 1.11 4.15 -0.97 -1.66 115.11 118.00 1qqb h GLN 87 Ca 0.48 -0.03 -0.24 0.00 0.77 0.00 0.00 58.65 59.63 1qqb h GLN 87 Cb 0.92 -0.12 -0.15 0.00 0.21 0.00 0.00 27.48 28.35 1qqb h GLN 87 CO -0.67 0.35 -0.08 1.63 -1.93 0.00 0.00 178.83 178.13 1qqb n LYS 88 N -4.47 2.00 -1.51 1.69 4.76 0.08 -4.96 118.16 115.75 1qqb n LYS 88 Ca 0.07 -3.27 -0.18 0.00 -2.87 0.00 0.00 58.31 52.07 1qqb n LYS 88 Cb 0.21 -1.88 -0.08 0.00 -1.84 0.00 0.00 35.03 31.44 1qqb n LYS 88 CO 0.00 0.00 0.00 0.41 -1.37 0.00 0.00 177.40 176.44 1qqb n GLY 89 N -1.09 1.68 3.89 0.72 0.00 -0.62 -4.99 105.19 104.77 1qqb n GLY 89 Ca 0.36 -0.03 -0.29 0.00 0.00 0.00 0.00 46.02 46.06 1qqb n GLY 89 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 1qqb s TYR 90 N -2.52 3.49 -0.01 1.61 1.51 0.63 -4.88 117.35 117.17 1qqb s TYR 90 Ca 0.00 0.85 -0.00 0.00 -1.01 0.00 0.00 57.07 56.91 1qqb s TYR 90 Cb 0.00 -2.29 -0.04 0.00 -0.11 0.00 0.00 41.96 39.53 1qqb s TYR 90 CO 0.00 -0.03 0.05 -0.08 -1.11 0.00 0.00 175.55 174.38 1qqb s THR 91 N -2.33 4.50 -0.20 -0.71 -1.32 -0.90 -3.51 115.64 111.18 1qqb s THR 91 Ca 0.48 -0.45 -0.05 0.00 -1.21 0.00 0.00 61.69 60.46 1qqb s THR 91 Cb -0.10 -3.02 -0.02 0.00 -1.51 0.00 0.00 72.50 67.84 1qqb s THR 91 CO 0.33 0.39 -0.01 -0.22 -2.21 0.00 0.00 174.62 172.90 1qqb s LEU 92 N -1.58 3.21 -0.26 9.08 0.20 -1.26 0.09 118.68 128.17 1qqb s LEU 92 Ca 0.21 -0.21 -0.06 0.00 0.69 0.00 0.00 54.13 54.75 1qqb s LEU 92 Cb -0.12 -1.81 -0.01 0.00 -0.43 0.00 0.00 46.19 43.83 1qqb s LEU 92 CO 0.11 0.07 0.04 -0.63 -0.29 0.00 0.00 176.35 175.66 1qqb s ILE 93 N 0.96 3.89 -0.23 6.68 1.01 -0.51 -5.00 121.20 128.01 1qqb s ILE 93 Ca 0.01 -0.50 -0.14 0.00 0.00 0.00 0.00 60.65 60.02 1qqb s ILE 93 Cb -0.14 -2.89 -0.04 0.00 0.01 0.00 0.00 42.46 39.39 1qqb s ILE 93 CO 0.02 0.24 0.34 -0.22 0.00 0.00 0.00 174.94 175.32 1qqb s LEU 94 N 1.52 4.11 -0.10 2.97 2.96 -1.26 -0.45 118.68 128.44 1qqb s LEU 94 Ca 0.04 0.36 0.00 0.00 -0.22 0.00 0.00 54.13 54.32 1qqb s LEU 94 Cb -0.16 -2.40 0.02 0.00 0.50 0.00 0.00 46.19 44.16 1qqb s LEU 94 CO 0.01 -0.07 -0.09 -0.83 -1.32 0.00 0.00 176.35 174.05 1qqb s GLY 95 N 1.20 0.81 -0.37 7.98 0.00 0.11 -4.97 107.32 112.08 1qqb s GLY 95 Ca 0.15 -0.49 -0.12 0.00 0.00 0.00 0.00 44.72 44.26 1qqb s GLY 95 CO 0.08 0.59 0.23 -1.31 0.00 0.00 0.00 173.10 172.69 1qqb s ASN 96 N 1.38 5.86 0.00 1.64 0.02 -1.26 0.70 114.94 123.27 1qqb s ASN 96 Ca -0.01 -0.84 0.29 0.00 -1.02 0.00 0.00 52.86 51.27 1qqb s ASN 96 Cb -0.14 -2.07 1.19 0.00 0.02 0.00 0.00 41.25 40.25 1qqb s ASN 96 CO -0.05 -0.36 1.83 0.00 0.02 0.00 0.00 177.10 178.54 1qqb n ALA 97 N 5.06 2.78 -4.19 0.60 0.00 -1.01 -4.92 120.51 118.82 1qqb n ALA 97 Ca -0.12 -0.31 -0.36 0.00 0.00 0.00 0.00 53.44 52.66 1qqb n ALA 97 Cb 0.47 -1.30 -0.03 0.00 0.00 0.00 0.00 19.45 18.60 1qqb n ALA 97 CO 0.00 0.00 0.00 0.91 0.00 0.00 0.00 177.50 178.41 1qqb n TRP 98 N -0.76 -1.72 -3.49 0.00 7.02 -0.51 0.78 117.44 118.76 1qqb n TRP 98 Ca 0.16 0.77 -0.25 0.00 -1.02 0.00 0.00 57.50 57.15 1qqb n TRP 98 Cb 0.28 -2.86 0.04 0.00 -2.42 0.00 0.00 31.31 26.35 1qqb n TRP 98 CO 0.00 0.00 0.00 -1.71 -2.02 0.00 0.00 177.69 173.96 1qqb n ASN 99 N -2.61 -5.45 -4.14 -0.99 4.05 -1.26 -4.95 115.26 99.90 1qqb n ASN 99 Ca 0.08 -0.51 -0.33 0.00 0.45 0.00 0.00 54.58 54.27 1qqb n ASN 99 Cb 0.49 -4.36 -0.16 0.00 1.23 0.00 0.00 39.78 36.97 1qqb n ASN 99 CO 0.00 0.00 0.00 0.21 -3.05 0.00 0.00 177.26 174.42 1qqb s ASN 100 N -3.04 3.18 0.15 1.20 2.47 0.23 -5.00 114.94 114.13 1qqb s ASN 100 Ca 0.50 -0.63 -0.22 0.00 0.42 0.00 0.00 52.86 52.93 1qqb s ASN 100 Cb -0.24 -1.48 0.03 0.00 -1.45 0.00 0.00 41.25 38.11 1qqb s ASN 100 CO 0.62 0.02 1.64 0.25 -3.72 0.00 0.00 177.10 175.90 1qqb h LEU 101 N 7.79 -0.72 -0.44 3.21 7.12 -1.93 2.38 115.31 132.73 1qqb h LEU 101 Ca -0.42 0.13 0.04 0.00 0.13 0.00 0.00 57.88 57.76 1qqb h LEU 101 Cb 1.15 0.34 -0.04 0.00 -0.53 0.00 0.00 40.66 41.59 1qqb h LEU 101 CO 0.62 -0.26 0.22 -0.08 -0.13 0.00 0.00 178.44 178.80 1qqb h GLU 102 N -0.23 0.42 -0.27 1.25 4.57 -1.94 1.60 114.58 119.98 1qqb h GLU 102 Ca 0.14 -0.03 -0.01 0.00 -1.18 0.00 0.00 59.36 58.28 1qqb h GLU 102 Cb 0.44 -0.10 -0.01 0.00 -0.16 0.00 0.00 28.75 28.92 1qqb h GLU 102 CO -0.37 0.28 0.12 -0.22 -1.18 0.00 0.00 179.01 177.64 1qqb h LYS 103 N 0.43 0.40 -0.21 1.92 3.64 -1.69 0.54 116.57 121.61 1qqb h LYS 103 Ca 0.19 -0.06 -0.05 0.00 -1.27 0.00 0.00 60.65 59.46 1qqb h LYS 103 Cb 0.10 -0.07 -0.01 0.00 -0.41 0.00 0.00 32.23 31.84 1qqb h LYS 103 CO -0.13 0.41 -0.08 -0.56 -2.27 0.00 0.00 179.45 176.81 1qqb h GLN 104 N 0.30 0.32 -0.31 1.90 3.07 0.62 -0.80 115.11 120.21 1qqb h GLN 104 Ca 0.09 -0.07 -0.08 0.00 0.09 0.00 0.00 58.65 58.68 1qqb h GLN 104 Cb 0.14 -0.05 -0.01 0.00 0.08 0.00 0.00 27.48 27.65 1qqb h GLN 104 CO -0.01 0.42 -0.13 0.07 0.09 0.00 0.00 178.83 179.27 1qqb h ARG 105 N 0.31 0.63 0.16 0.06 0.11 0.29 -1.54 114.38 114.40 1qqb h ARG 105 Ca 0.06 -0.27 0.01 0.00 0.10 0.00 0.00 59.98 59.89 1qqb h ARG 105 Cb 0.35 -0.02 -0.03 0.00 1.11 0.00 0.00 29.97 31.38 1qqb h ARG 105 CO 0.02 0.85 -0.23 0.00 0.10 0.00 0.00 179.97 180.71 1qqb h ALA 106 N 0.77 -0.42 -0.92 0.08 0.00 -0.44 -1.21 119.26 117.12 1qqb h ALA 106 Ca 0.07 -0.05 -0.01 0.00 0.00 0.00 0.00 54.91 54.93 1qqb h ALA 106 Cb 0.65 0.35 -0.04 0.00 0.00 0.00 0.00 17.79 18.75 1qqb h ALA 106 CO 0.04 -0.77 0.55 1.88 0.00 0.00 0.00 179.25 180.95 1qqb h TYR 107 N -0.45 1.22 -0.93 0.00 0.05 -1.14 -1.76 116.97 113.95 1qqb h TYR 107 Ca 0.02 -0.01 -0.00 0.00 0.05 0.00 0.00 58.73 58.79 1qqb h TYR 107 Cb 0.45 -0.40 -0.05 0.00 1.01 0.00 0.00 36.73 37.75 1qqb h TYR 107 CO -0.19 0.81 0.57 -0.07 -1.05 0.00 0.00 178.16 178.23 1qqb h LEU 108 N 1.27 1.11 -0.17 3.88 3.38 -0.84 -0.84 115.31 123.09 1qqb h LEU 108 Ca 0.33 -0.06 -0.02 0.00 0.09 0.00 0.00 57.88 58.22 1qqb h LEU 108 Cb -0.05 -0.28 -0.01 0.00 0.09 0.00 0.00 40.66 40.42 1qqb h LEU 108 CO -0.06 0.84 0.04 -1.28 0.09 0.00 0.00 178.44 178.07 1qqb h SER 109 N 1.28 0.27 -0.80 -0.43 0.87 -0.48 -1.73 113.55 112.54 1qqb h SER 109 Ca 0.34 -0.24 0.02 0.00 -1.23 0.00 0.00 61.79 60.68 1qqb h SER 109 Cb -0.07 -0.07 -0.04 0.00 -0.44 0.00 0.00 62.40 61.78 1qqb h SER 109 CO -0.06 0.44 0.53 0.24 -0.53 0.00 0.00 176.83 177.45 1qqb h MET 110 N 0.08 0.99 0.19 2.24 2.86 -1.03 -0.36 114.93 119.90 1qqb h MET 110 Ca 0.05 -0.06 -0.01 0.00 -2.06 0.00 0.00 59.70 57.62 1qqb h MET 110 Cb 0.29 -0.22 0.00 0.00 0.06 0.00 0.00 31.60 31.72 1qqb h MET 110 CO 0.00 0.65 -0.09 0.52 1.06 0.00 0.00 176.91 179.05 1qqb h MET 111 N 1.02 -0.25 -0.12 1.72 2.07 -0.74 0.55 114.93 119.17 1qqb h MET 111 Ca 0.31 0.02 0.03 0.00 -2.07 0.00 0.00 59.70 57.98 1qqb h MET 111 Cb -0.02 0.06 -0.02 0.00 -1.87 0.00 0.00 31.60 29.74 1qqb h MET 111 CO -0.08 -0.16 -0.04 0.00 1.07 0.00 0.00 176.91 177.70 1qqb h ALA 112 N 0.54 0.08 -0.53 6.32 0.00 -0.93 -1.48 119.26 123.26 1qqb h ALA 112 Ca -0.03 0.05 0.10 0.00 0.00 0.00 0.00 54.91 55.03 1qqb h ALA 112 Cb 0.21 0.10 -0.08 0.00 0.00 0.00 0.00 17.79 18.02 1qqb h ALA 112 CO 0.04 -0.49 0.05 1.96 0.00 0.00 0.00 179.25 180.82 1qqb h GLN 113 N -0.01 0.17 0.00 0.00 4.20 -0.76 1.85 115.11 120.56 1qqb h GLN 113 Ca 0.06 -0.01 0.00 0.00 0.06 0.00 0.00 58.65 58.76 1qqb h GLN 113 Cb 0.10 -0.04 0.00 0.00 0.30 0.00 0.00 27.48 27.84 1qqb h GLN 113 CO -0.13 0.11 0.00 1.63 -0.67 0.00 0.00 178.83 179.77 1qqb n LYS 114 N -5.19 0.64 -3.79 1.46 4.76 0.19 -4.89 118.16 111.34 1qqb n LYS 114 Ca 0.07 0.00 -0.32 0.00 -2.87 0.00 0.00 58.31 55.19 1qqb n LYS 114 Cb 0.29 -1.17 0.02 0.00 -1.84 0.00 0.00 35.03 32.32 1qqb n LYS 114 CO 0.00 0.00 0.00 0.54 -1.37 0.00 0.00 177.40 176.57 1qqb n ARG 115 N -0.67 -0.99 -2.56 1.97 5.12 0.63 -4.92 116.66 115.23 1qqb n ARG 115 Ca 0.05 0.50 -0.40 0.00 -1.93 0.00 0.00 57.85 56.08 1qqb n ARG 115 Cb 0.02 -3.22 -0.05 0.00 -1.16 0.00 0.00 32.46 28.05 1qqb n ARG 115 CO 0.00 0.00 0.00 0.14 -1.93 0.00 0.00 177.63 175.84 1qqb s VAL 116 N -3.31 3.67 0.36 1.55 -7.23 -1.14 -4.16 120.40 110.14 1qqb s VAL 116 Ca 0.31 1.65 0.05 0.00 -1.81 0.00 0.00 61.98 62.17 1qqb s VAL 116 Cb -0.14 -4.03 0.28 0.00 0.56 0.00 0.00 36.38 33.05 1qqb s VAL 116 CO 0.90 0.36 1.98 0.44 -0.31 0.00 0.00 175.10 178.47 1qqb h ASP 117 N 3.79 0.69 -5.15 4.85 3.32 -1.30 -3.46 116.42 119.15 1qqb h ASP 117 Ca -0.46 -0.00 -0.03 0.00 0.02 0.00 0.00 57.03 56.55 1qqb h ASP 117 Cb 1.21 -0.15 -0.06 0.00 0.22 0.00 0.00 39.33 40.54 1qqb h ASP 117 CO 0.67 0.46 0.04 -0.83 -1.72 0.00 0.00 179.24 177.86 1qqb s GLY 118 N -3.54 0.39 -0.05 2.75 0.00 -1.26 -4.36 107.32 101.26 1qqb s GLY 118 Ca -0.10 -0.73 0.03 0.00 0.00 0.00 0.00 44.72 43.92 1qqb s GLY 118 CO 0.77 -0.44 -0.11 -2.27 0.00 0.00 0.00 173.10 171.05 1qqb s LEU 119 N -3.01 1.72 -0.24 0.66 2.96 0.54 -1.94 118.68 119.37 1qqb s LEU 119 Ca 0.18 -0.25 -0.09 0.00 -0.22 0.00 0.00 54.13 53.75 1qqb s LEU 119 Cb -0.03 -0.72 -0.04 0.00 0.50 0.00 0.00 46.19 45.90 1qqb s LEU 119 CO 0.10 0.06 0.12 -0.76 -1.32 0.00 0.00 176.35 174.54 1qqb s LEU 120 N 0.40 3.78 -0.20 -0.68 1.02 0.30 -0.88 118.68 122.42 1qqb s LEU 120 Ca -0.08 -0.05 -0.04 0.00 0.02 0.00 0.00 54.13 53.99 1qqb s LEU 120 Cb -0.12 -2.02 -0.01 0.00 0.02 0.00 0.00 46.19 44.06 1qqb s LEU 120 CO 0.02 0.02 -0.04 -0.69 0.02 0.00 0.00 176.35 175.67 1qqb s VAL 121 N 1.33 3.51 -0.44 -1.59 1.01 0.86 -0.34 120.40 124.74 1qqb s VAL 121 Ca 0.06 -0.46 0.09 0.00 0.00 0.00 0.00 61.98 61.67 1qqb s VAL 121 Cb -0.15 -2.57 0.30 0.00 0.00 0.00 0.00 36.38 33.96 1qqb s VAL 121 CO 0.05 0.44 0.69 0.80 0.00 0.00 0.00 175.10 177.09 1qqb n MET 122 N 4.40 1.37 -0.05 2.72 1.56 -0.40 -0.04 117.12 126.68 1qqb n MET 122 Ca -0.18 -3.68 0.12 0.00 -0.27 0.00 0.00 57.70 53.70 1qqb n MET 122 Cb 0.51 -1.67 0.40 0.00 2.15 0.00 0.00 33.22 34.61 1qqb n MET 122 CO 0.00 0.00 0.00 0.00 -0.73 0.00 0.00 175.97 175.24 1qqb n SER 124 N 0.42 0.00 -4.66 0.00 7.64 -1.26 -4.73 113.62 111.03 1qqb n SER 124 Ca 0.17 0.00 -0.35 0.00 1.01 0.00 0.00 58.87 59.71 1qqb n SER 124 Cb 0.38 0.00 -0.10 0.00 -1.01 0.00 0.00 64.21 63.48 1qqb n SER 124 CO 0.00 0.00 0.00 -1.61 -3.01 0.00 0.00 175.04 170.42 1qqb s GLU 125 N 0.00 2.91 -0.60 1.43 2.02 -1.26 -4.52 118.70 118.68 1qqb s GLU 125 Ca 0.00 -0.45 0.05 0.00 0.02 0.00 0.00 54.97 54.59 1qqb s GLU 125 Cb 0.00 -2.73 0.18 0.00 0.10 0.00 0.00 34.13 31.68 1qqb s GLU 125 CO 0.00 0.69 0.47 0.66 0.02 0.00 0.00 175.26 177.10 1qqb n TYR 126 N 2.14 1.85 -1.36 1.61 4.02 -1.26 -5.03 117.16 119.12 1qqb n TYR 126 Ca -0.18 -3.96 -0.30 0.00 -0.01 0.00 0.00 57.90 53.44 1qqb n TYR 126 Cb 0.53 -0.33 0.10 0.00 -0.02 0.00 0.00 39.34 39.62 1qqb n TYR 126 CO 0.00 0.00 0.00 -1.25 -1.01 0.00 0.00 176.86 174.60 1qqb s PRO 127 N -1.06 2.07 0.13 -0.72 0.05 -1.26 -4.73 135.00 129.48 1qqb s PRO 127 Ca 0.29 0.92 -0.33 0.00 0.05 0.00 0.00 61.00 61.93 1qqb s PRO 127 Cb 0.01 -1.89 -0.12 0.00 0.05 0.00 0.00 34.50 32.55 1qqb s PRO 127 CO -0.17 -1.70 1.55 1.49 0.05 0.00 0.00 177.00 178.22 1qqb h GLU 128 N -1.16 -0.43 -0.98 4.56 4.22 -1.98 0.78 114.58 119.58 1qqb h GLU 128 Ca -0.46 0.03 0.41 0.00 0.08 0.00 0.00 59.36 59.42 1qqb h GLU 128 Cb 1.25 0.10 -0.17 0.00 0.50 0.00 0.00 28.75 30.42 1qqb h GLU 128 CO 0.55 -0.29 0.54 -2.30 -2.18 0.00 0.00 179.01 175.33 1qqb n PRO 129 N -5.37 -0.06 -0.06 0.92 -0.02 -1.26 0.30 135.00 129.45 1qqb n PRO 129 Ca -0.04 1.34 -0.16 0.00 -2.02 0.00 0.00 63.50 62.62 1qqb n PRO 129 Cb 0.35 -2.41 -0.06 0.00 -0.02 0.00 0.00 33.50 31.36 1qqb n PRO 129 CO 0.00 0.00 0.00 1.25 1.98 0.00 0.00 175.50 178.73 1qqb h LEU 130 N 0.00 0.86 -0.93 2.45 6.46 -1.22 -2.51 115.31 120.42 1qqb h LEU 130 Ca 0.83 -0.57 0.07 0.00 -0.12 0.00 0.00 57.88 58.09 1qqb h LEU 130 Cb 2.21 -0.25 -0.07 0.00 -0.73 0.00 0.00 40.66 41.82 1qqb h LEU 130 CO -0.74 1.28 0.59 -0.07 -0.62 0.00 0.00 178.44 178.88 1qqb h LEU 131 N 0.48 0.92 0.26 2.25 -0.00 0.55 -2.21 115.31 117.55 1qqb h LEU 131 Ca -0.01 0.02 -0.01 0.00 -0.00 0.00 0.00 57.88 57.88 1qqb h LEU 131 Cb 1.18 -0.17 -0.01 0.00 -0.00 0.00 0.00 40.66 41.66 1qqb h LEU 131 CO 0.12 0.57 -0.22 0.00 -0.00 0.00 0.00 178.44 178.92 1qqb h ALA 132 N 1.44 -0.97 -0.76 1.53 0.00 0.18 -2.46 119.26 118.22 1qqb h ALA 132 Ca 0.41 -0.09 0.15 0.00 0.00 0.00 0.00 54.91 55.38 1qqb h ALA 132 Cb 0.22 0.41 -0.14 0.00 0.00 0.00 0.00 17.79 18.27 1qqb h ALA 132 CO -0.19 -0.97 -0.24 0.52 0.00 0.00 0.00 179.25 178.37 1qqb h MET 133 N -0.47 -0.03 -0.69 0.00 2.86 -1.20 0.12 114.93 115.53 1qqb h MET 133 Ca -0.03 0.00 0.10 0.00 -2.06 0.00 0.00 59.70 57.71 1qqb h MET 133 Cb 0.39 0.01 -0.07 0.00 0.06 0.00 0.00 31.60 31.98 1qqb h MET 133 CO -0.00 -0.02 0.31 -0.07 1.06 0.00 0.00 176.91 178.19 1qqb h LEU 134 N -0.03 0.36 -1.15 1.22 3.38 -1.34 0.19 115.31 117.94 1qqb h LEU 134 Ca 0.35 0.07 0.01 0.00 0.09 0.00 0.00 57.88 58.40 1qqb h LEU 134 Cb 0.57 0.02 -0.04 0.00 0.09 0.00 0.00 40.66 41.30 1qqb h LEU 134 CO -0.80 0.20 0.58 -0.08 0.09 0.00 0.00 178.44 178.43 1qqb h GLU 135 N 0.52 1.14 0.00 1.13 4.81 -0.31 0.11 114.58 121.98 1qqb h GLU 135 Ca 0.35 -0.07 0.00 0.00 -0.13 0.00 0.00 59.36 59.51 1qqb h GLU 135 Cb 0.41 -0.26 0.00 0.00 0.63 0.00 0.00 28.75 29.53 1qqb h GLU 135 CO -0.30 0.75 0.06 0.39 -0.73 0.00 0.00 179.01 179.19 1qqb n GLU 136 N -4.40 0.03 -0.28 1.92 1.02 0.66 -0.42 120.64 119.17 1qqb n GLU 136 Ca 0.10 0.49 0.07 0.00 -0.02 0.00 0.00 57.16 57.80 1qqb n GLU 136 Cb 0.02 -1.68 0.11 0.00 -0.02 0.00 0.00 31.44 29.88 1qqb n GLU 136 CO 0.00 0.00 0.00 0.66 1.18 0.00 0.00 177.13 178.97 1qqb n TYR 137 N -1.65 0.00 0.05 -0.32 4.02 0.36 -4.74 117.16 114.88 1qqb n TYR 137 Ca -0.00 -0.81 0.03 0.00 -0.01 0.00 0.00 57.90 57.10 1qqb n TYR 137 Cb 0.07 -0.14 0.15 0.00 -0.02 0.00 0.00 39.34 39.40 1qqb n TYR 137 CO 0.00 0.00 0.00 2.89 -1.01 0.00 0.00 176.86 178.74 1qqb n ARG 138 N -1.01 0.04 0.17 -0.72 1.85 0.44 -0.54 116.66 116.89 1qqb n ARG 138 Ca 0.12 0.46 0.04 0.00 -1.00 0.00 0.00 57.85 57.48 1qqb n ARG 138 Cb 0.68 -1.74 0.26 0.00 -1.05 0.00 0.00 32.46 30.61 1qqb n ARG 138 CO 0.00 0.00 0.00 1.12 -0.01 0.00 0.00 177.63 178.74 1qqb h HIS 139 N 0.00 0.00 -3.16 2.89 2.07 -1.85 -3.40 115.15 111.70 1qqb h HIS 139 Ca 0.00 0.00 -0.60 0.00 -2.85 0.00 0.00 60.37 56.92 1qqb h HIS 139 Cb 0.24 0.00 -0.07 0.00 2.57 0.00 0.00 27.41 30.14 1qqb h HIS 139 CO 0.00 0.44 -0.21 -1.50 -3.07 0.00 0.00 177.93 173.58 1qqb s ILE 140 N -3.46 5.14 0.41 6.12 1.10 0.30 -5.01 121.20 125.79 1qqb s ILE 140 Ca 0.01 0.80 -0.27 0.00 -0.51 0.00 0.00 60.65 60.68 1qqb s ILE 140 Cb 0.10 -3.72 -0.10 0.00 0.15 0.00 0.00 42.46 38.89 1qqb s ILE 140 CO 0.71 0.46 1.46 -2.16 -2.11 0.00 0.00 174.94 173.30 1qqb s PRO 141 N -0.23 3.94 -0.02 3.50 0.04 -1.26 -4.85 135.00 136.11 1qqb s PRO 141 Ca 0.23 2.52 -0.23 0.00 0.04 0.00 0.00 61.00 63.55 1qqb s PRO 141 Cb -0.15 -2.84 0.05 0.00 0.04 0.00 0.00 34.50 31.59 1qqb s PRO 141 CO 0.10 -0.65 0.50 0.00 0.04 0.00 0.00 177.00 177.00 1qqb s MET 142 N -2.24 0.89 -0.08 4.56 0.23 -1.26 -0.34 119.30 121.06 1qqb s MET 142 Ca 0.56 0.00 0.03 0.00 -1.03 0.00 0.00 55.69 55.25 1qqb s MET 142 Cb -0.45 0.41 0.01 0.00 -1.53 0.00 0.00 34.83 33.27 1qqb s MET 142 CO 0.61 -0.27 -0.16 0.54 -2.03 0.00 0.00 175.02 173.70 1qqb s VAL 143 N -1.41 1.46 -0.07 5.16 0.11 -0.06 -2.01 120.40 123.58 1qqb s VAL 143 Ca -0.11 -0.66 -0.22 0.00 -2.93 0.00 0.00 61.98 58.05 1qqb s VAL 143 Cb -0.02 -1.31 -0.04 0.00 -1.53 0.00 0.00 36.38 33.48 1qqb s VAL 143 CO 0.06 0.43 0.66 -0.69 -3.33 0.00 0.00 175.10 172.23 1qqb s VAL 144 N 0.66 5.06 -2.10 2.04 1.01 -0.54 -0.10 120.40 126.43 1qqb s VAL 144 Ca -0.14 1.35 0.18 0.00 0.00 0.00 0.00 61.98 63.37 1qqb s VAL 144 Cb -0.16 -4.00 0.19 0.00 0.00 0.00 0.00 36.38 32.41 1qqb s VAL 144 CO 0.04 0.27 1.11 0.23 0.00 0.00 0.00 175.10 176.75 1qqb n MET 145 N 3.71 1.64 -1.02 2.72 2.81 0.94 -2.17 117.12 125.74 1qqb n MET 145 Ca -0.03 -1.67 0.05 0.00 -1.81 0.00 0.00 57.70 54.25 1qqb n MET 145 Cb 0.51 -1.35 0.12 0.00 -0.71 0.00 0.00 33.22 31.79 1qqb n MET 145 CO 0.00 0.00 0.00 -0.40 1.51 0.00 0.00 175.97 177.08 1qqb n ASP 146 N 1.01 1.36 -4.97 7.83 5.68 -1.26 -4.77 116.55 121.43 1qqb n ASP 146 Ca 0.11 -2.97 -0.21 0.00 -0.50 0.00 0.00 54.79 51.22 1qqb n ASP 146 Cb 0.45 -0.42 -0.02 0.00 -1.14 0.00 0.00 41.12 40.00 1qqb n ASP 146 CO 0.00 0.00 0.00 0.26 -1.33 0.00 0.00 177.20 176.13 1qqb s TRP 147 N -1.65 3.45 -0.17 2.11 0.51 -1.26 -4.50 118.94 117.43 1qqb s TRP 147 Ca 0.36 0.03 0.21 0.00 -2.12 0.00 0.00 56.10 54.58 1qqb s TRP 147 Cb 0.38 -1.62 -0.10 0.00 -0.81 0.00 0.00 33.47 31.31 1qqb s TRP 147 CO -0.12 0.39 0.86 0.41 -0.51 0.00 0.00 176.95 177.98 1qqb n GLY 148 N -1.47 -1.30 3.32 0.98 0.00 -1.26 -4.20 105.19 101.26 1qqb n GLY 148 Ca -0.08 -0.26 -0.09 0.00 0.00 0.00 0.00 46.02 45.58 1qqb n GLY 148 CO 0.00 0.00 0.00 -1.83 0.00 0.00 0.00 173.32 171.49 1qqb s GLU 149 N -3.27 1.09 -0.52 1.61 1.03 -1.26 -4.72 118.70 112.66 1qqb s GLU 149 Ca -0.03 -1.00 -0.28 0.00 0.03 0.00 0.00 54.97 53.69 1qqb s GLU 149 Cb 0.10 0.40 0.00 0.00 -0.80 0.00 0.00 34.13 33.83 1qqb s GLU 149 CO 0.82 -0.40 1.54 0.00 -1.33 0.00 0.00 175.26 175.89 1qqb s ALA 150 N -3.90 2.75 -1.98 -0.84 0.00 -1.26 -4.90 121.76 111.63 1qqb s ALA 150 Ca 0.10 -0.47 0.11 0.00 0.00 0.00 0.00 51.96 51.70 1qqb s ALA 150 Cb 0.03 -4.10 0.32 0.00 0.00 0.00 0.00 23.12 19.36 1qqb s ALA 150 CO -0.05 -2.97 1.26 1.63 0.00 0.00 0.00 175.76 175.62 1qqb n LYS 151 N 8.64 1.84 -3.55 0.00 4.01 -1.26 -4.89 118.16 122.95 1qqb n LYS 151 Ca 0.16 -1.29 -0.14 0.00 -0.51 0.00 0.00 58.31 56.53 1qqb n LYS 151 Cb 0.49 -1.29 -0.06 0.00 -0.51 0.00 0.00 35.03 33.67 1qqb n LYS 151 CO 0.00 0.00 0.00 0.00 -1.11 0.00 0.00 177.40 176.29 1qqb s ALA 152 N -1.53 -1.85 -1.50 7.82 0.00 -1.26 -5.02 121.76 118.42 1qqb s ALA 152 Ca 0.24 1.44 0.27 0.00 0.00 0.00 0.00 51.96 53.91 1qqb s ALA 152 Cb 0.13 -0.34 0.79 0.00 0.00 0.00 0.00 23.12 23.69 1qqb s ALA 152 CO 0.16 -0.34 1.59 -0.40 0.00 0.00 0.00 175.76 176.77 1qqb n ASP 153 N 0.81 0.74 -1.81 0.00 5.75 -1.26 -4.03 116.55 116.76 1qqb n ASP 153 Ca -0.15 -0.60 0.08 0.00 -0.01 0.00 0.00 54.79 54.10 1qqb n ASP 153 Cb 0.58 0.10 0.39 0.00 -1.03 0.00 0.00 41.12 41.16 1qqb n ASP 153 CO 0.00 0.00 0.00 2.22 -0.11 0.00 0.00 177.20 179.31 1qqb n PHE 154 N -0.97 1.95 -4.07 2.11 -1.74 -1.26 -4.41 117.46 109.07 1qqb n PHE 154 Ca 0.11 -0.72 -0.10 0.00 -0.56 0.00 0.00 57.45 56.18 1qqb n PHE 154 Cb 0.33 -0.46 -0.08 0.00 1.52 0.00 0.00 39.48 40.79 1qqb n PHE 154 CO 0.00 0.00 0.00 0.99 -0.56 0.00 0.00 176.76 177.19 1qqb s THR 155 N -2.62 0.05 0.31 1.97 2.01 -1.26 -4.78 115.64 111.32 1qqb s THR 155 Ca 0.54 -1.67 0.03 0.00 0.31 0.00 0.00 61.69 60.90 1qqb s THR 155 Cb 0.40 -2.10 -0.03 0.00 0.01 0.00 0.00 72.50 70.79 1qqb s THR 155 CO 0.17 -0.23 0.48 -1.81 -0.69 0.00 0.00 174.62 172.54 1qqb s ASP 156 N -3.04 6.25 -0.05 3.53 1.01 -0.85 -4.09 116.67 119.41 1qqb s ASP 156 Ca 0.25 0.23 -0.06 0.00 0.71 0.00 0.00 52.55 53.68 1qqb s ASP 156 Cb 0.05 -1.86 0.01 0.00 1.01 0.00 0.00 42.92 42.13 1qqb s ASP 156 CO 0.04 -0.25 0.17 0.00 0.21 0.00 0.00 175.17 175.35 1qqb s ALA 157 N -2.19 -0.41 -0.19 5.23 0.00 -0.45 -1.46 121.76 122.29 1qqb s ALA 157 Ca 0.39 0.39 -0.03 0.00 0.00 0.00 0.00 51.96 52.70 1qqb s ALA 157 Cb -0.09 -0.22 -0.01 0.00 0.00 0.00 0.00 23.12 22.79 1qqb s ALA 157 CO 0.33 -0.10 -0.06 0.54 0.00 0.00 0.00 175.76 176.47 1qqb s VAL 158 N -0.14 3.40 -0.14 0.00 0.11 -0.92 -1.21 120.40 121.50 1qqb s VAL 158 Ca -0.02 -0.50 -0.03 0.00 -2.93 0.00 0.00 61.98 58.49 1qqb s VAL 158 Cb -0.02 -2.51 -0.03 0.00 -1.53 0.00 0.00 36.38 32.28 1qqb s VAL 158 CO 0.00 0.46 -0.02 0.27 -3.33 0.00 0.00 175.10 172.48 1qqb s ILE 159 N 1.04 4.07 -2.27 7.04 -5.25 0.23 -4.38 121.20 121.68 1qqb s ILE 159 Ca 0.00 -0.31 0.26 0.00 -0.99 0.00 0.00 60.65 59.62 1qqb s ILE 159 Cb -0.15 -2.77 0.34 0.00 2.95 0.00 0.00 42.46 42.84 1qqb s ILE 159 CO -0.00 0.52 1.54 -0.90 -1.79 0.00 0.00 174.94 174.30 1qqb n ASP 160 N 3.18 1.62 -3.01 4.36 5.75 -1.26 0.49 116.55 127.67 1qqb n ASP 160 Ca -0.18 -1.37 -0.22 0.00 -0.01 0.00 0.00 54.79 53.01 1qqb n ASP 160 Cb 0.53 0.10 0.03 0.00 -1.03 0.00 0.00 41.12 40.75 1qqb n ASP 160 CO 0.00 0.00 0.00 0.59 -0.11 0.00 0.00 177.20 177.68 1qqb n ASN 161 N 0.05 -5.85 0.23 -1.12 3.02 -1.26 -4.38 115.26 105.96 1qqb n ASN 161 Ca 0.15 -0.28 0.18 0.00 -0.03 0.00 0.00 54.58 54.60 1qqb n ASN 161 Cb 0.40 -4.74 0.86 0.00 -0.61 0.00 0.00 39.78 35.69 1qqb n ASN 161 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 1qqb h ALA 162 N 1.00 1.67 -0.04 5.41 0.00 -1.92 -0.84 119.26 124.53 1qqb h ALA 162 Ca -0.52 -0.01 -0.08 0.00 0.00 0.00 0.00 54.91 54.31 1qqb h ALA 162 Cb 1.36 0.01 0.00 0.00 0.00 0.00 0.00 17.79 19.16 1qqb h ALA 162 CO 0.57 -0.33 -0.29 0.35 0.00 0.00 0.00 179.25 179.55 1qqb h PHE 163 N 0.00 0.38 0.00 0.00 3.04 -1.87 -1.68 116.94 116.80 1qqb h PHE 163 Ca 0.08 -0.17 -0.01 0.00 3.98 0.00 0.00 57.97 61.85 1qqb h PHE 163 Cb 0.56 -0.06 -0.00 0.00 2.56 0.00 0.00 35.95 39.02 1qqb h PHE 163 CO 0.00 0.92 -0.03 1.05 -2.02 0.00 0.00 178.31 178.23 1qqb h GLU 164 N -0.27 0.00 0.01 1.11 4.11 -1.49 -1.87 114.58 116.17 1qqb h GLU 164 Ca -0.02 0.00 -0.16 0.00 0.07 0.00 0.00 59.36 59.25 1qqb h GLU 164 Cb 0.97 0.00 0.01 0.00 0.50 0.00 0.00 28.75 30.23 1qqb h GLU 164 CO 0.06 0.03 -0.63 0.78 0.07 0.00 0.00 179.01 179.33 1qqb h GLY 165 N 1.31 0.46 0.88 1.06 0.00 -1.19 -2.01 103.07 103.59 1qqb h GLY 165 Ca -0.00 -0.82 0.03 0.00 0.00 0.00 0.00 47.33 46.54 1qqb h GLY 165 CO 0.00 0.73 0.41 -1.33 0.00 0.00 0.00 176.54 176.35 1qqb h GLY 166 N -0.10 0.95 1.01 4.60 0.00 -0.76 -1.89 103.07 106.87 1qqb h GLY 166 Ca -0.08 -0.31 -0.04 0.00 0.00 0.00 0.00 47.33 46.90 1qqb h GLY 166 CO 0.12 0.27 0.27 -1.82 0.00 0.00 0.00 176.54 175.38 1qqb h TYR 167 N 0.81 0.99 -0.90 5.60 3.20 -1.24 -1.72 116.97 123.71 1qqb h TYR 167 Ca 0.26 -0.07 0.07 0.00 3.14 0.00 0.00 58.73 62.14 1qqb h TYR 167 Cb 0.01 -0.30 -0.07 0.00 1.54 0.00 0.00 36.73 37.92 1qqb h TYR 167 CO -0.05 0.77 0.56 0.52 -1.64 0.00 0.00 178.16 178.32 1qqb h MET 168 N 0.92 0.96 0.05 1.82 2.86 -0.61 -1.44 114.93 119.48 1qqb h MET 168 Ca 0.22 -0.06 -0.00 0.00 -2.06 0.00 0.00 59.70 57.80 1qqb h MET 168 Cb 0.19 -0.22 0.00 0.00 0.06 0.00 0.00 31.60 31.64 1qqb h MET 168 CO -0.02 0.64 -0.02 0.00 1.06 0.00 0.00 176.91 178.56 1qqb h ALA 169 N 1.44 -0.06 0.22 6.32 0.00 -0.73 -2.34 119.26 124.10 1qqb h ALA 169 Ca 0.40 -0.12 0.01 0.00 0.00 0.00 0.00 54.91 55.20 1qqb h ALA 169 Cb 0.23 0.02 -0.04 0.00 0.00 0.00 0.00 17.79 18.01 1qqb h ALA 169 CO -0.19 -0.42 -0.41 0.78 0.00 0.00 0.00 179.25 179.00 1qqb h GLY 170 N -0.28 -0.88 -0.24 0.00 0.00 -0.95 -2.48 103.07 98.23 1qqb h GLY 170 Ca -0.01 0.49 0.27 0.00 0.00 0.00 0.00 47.33 48.08 1qqb h GLY 170 CO 0.01 -0.29 0.59 3.21 0.00 0.00 0.00 176.54 180.07 1qqb h ARG 171 N -0.71 0.50 -0.11 4.80 2.47 -1.23 -0.44 114.38 119.65 1qqb h ARG 171 Ca 0.00 -0.03 -0.00 0.00 -1.26 0.00 0.00 59.98 58.69 1qqb h ARG 171 Cb 0.70 -0.11 -0.01 0.00 -1.65 0.00 0.00 29.97 28.90 1qqb h ARG 171 CO -0.18 0.33 0.07 -0.92 0.56 0.00 0.00 179.97 179.83 1qqb h TYR 172 N 0.51 0.15 0.02 3.04 3.20 -0.96 0.44 116.97 123.37 1qqb h TYR 172 Ca 0.67 -0.00 0.01 0.00 3.14 0.00 0.00 58.73 62.54 1qqb h TYR 172 Cb 1.35 -0.05 -0.01 0.00 1.54 0.00 0.00 36.73 39.57 1qqb h TYR 172 CO -0.01 0.14 -0.05 -0.07 -1.64 0.00 0.00 178.16 176.53 1qqb h LEU 173 N 0.11 -0.15 -0.41 2.82 3.38 -0.93 -0.54 115.31 119.59 1qqb h LEU 173 Ca 0.04 0.02 0.06 0.00 0.09 0.00 0.00 57.88 58.10 1qqb h LEU 173 Cb 0.04 0.06 -0.06 0.00 0.09 0.00 0.00 40.66 40.79 1qqb h LEU 173 CO -0.01 -0.08 0.08 0.40 0.09 0.00 0.00 178.44 178.92 1qqb h ILE 174 N -0.10 0.78 0.00 1.22 2.04 -0.80 0.29 117.51 120.94 1qqb h ILE 174 Ca 0.02 -0.07 0.00 0.00 1.00 0.00 0.00 64.86 65.81 1qqb h ILE 174 Cb 0.12 0.56 0.00 0.00 -0.74 0.00 0.00 36.82 36.76 1qqb h ILE 174 CO -0.04 0.04 0.00 -0.33 0.00 0.00 0.00 178.15 177.81 1qqb h GLU 175 N 0.21 0.00 -0.11 2.37 5.08 0.49 -2.40 114.58 120.22 1qqb h GLU 175 Ca 0.20 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.56 1qqb h GLU 175 Cb 0.24 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.49 1qqb h GLU 175 CO -0.26 0.00 0.00 0.54 -1.00 0.00 0.00 179.01 178.29 1qqb n ARG 176 N -2.85 1.88 0.00 2.33 5.12 0.05 -4.93 116.66 118.26 1qqb n ARG 176 Ca -0.01 -1.29 0.00 0.00 -1.93 0.00 0.00 57.85 54.62 1qqb n ARG 176 Cb 0.17 -1.45 0.00 0.00 -1.16 0.00 0.00 32.46 30.02 1qqb n ARG 176 CO 0.00 0.00 0.00 0.41 -1.93 0.00 0.00 177.63 176.11 1qqb n GLY 177 N 1.22 1.12 3.90 -0.13 0.00 -0.90 0.13 105.19 110.52 1qqb n GLY 177 Ca 0.17 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.89 1qqb n GLY 177 CO 0.00 0.00 0.00 0.30 0.00 0.00 0.00 173.32 173.62 1qqb s HIS 178 N -2.00 3.47 0.00 1.61 3.76 -0.97 -0.49 115.29 120.66 1qqb s HIS 178 Ca 0.00 0.58 0.00 0.00 -0.15 0.00 0.00 55.06 55.49 1qqb s HIS 178 Cb 0.00 -2.03 0.00 0.00 1.11 0.00 0.00 32.58 31.66 1qqb s HIS 178 CO 0.00 0.37 0.00 0.54 -0.85 0.00 0.00 174.74 174.80 1qqb n ARG 179 N -0.21 2.00 -3.72 1.40 1.74 -1.26 -4.35 116.66 112.27 1qqb n ARG 179 Ca -0.02 0.00 -0.37 0.00 -0.77 0.00 0.00 57.85 56.69 1qqb n ARG 179 Cb 0.52 -0.17 -0.10 0.00 -1.02 0.00 0.00 32.46 31.69 1qqb n ARG 179 CO 0.00 0.00 0.00 -1.21 -1.52 0.00 0.00 177.63 174.90 1qqb s GLU 180 N 0.00 2.22 0.12 5.56 2.02 -1.26 -4.83 118.70 122.53 1qqb s GLU 180 Ca 0.00 -1.97 0.07 0.00 0.02 0.00 0.00 54.97 53.10 1qqb s GLU 180 Cb 0.00 -3.69 -0.04 0.00 0.10 0.00 0.00 34.13 30.50 1qqb s GLU 180 CO 0.00 -1.12 -0.18 0.42 0.02 0.00 0.00 175.26 174.40 1qqb s ILE 181 N 0.92 1.57 0.37 -1.63 1.09 -1.26 0.10 121.20 122.36 1qqb s ILE 181 Ca 0.10 -1.63 0.05 0.00 -1.10 0.00 0.00 60.65 58.07 1qqb s ILE 181 Cb -0.23 -1.55 -0.07 0.00 -1.06 0.00 0.00 42.46 39.56 1qqb s ILE 181 CO -0.03 -0.21 0.04 -0.83 -0.10 0.00 0.00 174.94 173.80 1qqb s GLY 182 N -2.17 2.29 -0.14 6.18 0.00 -0.45 -4.79 107.32 108.24 1qqb s GLY 182 Ca 0.08 -2.08 -0.15 0.00 0.00 0.00 0.00 44.72 42.57 1qqb s GLY 182 CO 0.04 -1.94 0.42 0.54 0.00 0.00 0.00 173.10 172.16 1qqb s VAL 183 N -3.05 0.01 -0.33 1.40 0.11 0.28 -1.04 120.40 117.77 1qqb s VAL 183 Ca 0.35 -0.06 0.03 0.00 -2.93 0.00 0.00 61.98 59.37 1qqb s VAL 183 Cb 0.09 -0.61 0.10 0.00 -1.53 0.00 0.00 36.38 34.43 1qqb s VAL 183 CO 0.16 -0.03 0.05 -0.63 -3.33 0.00 0.00 175.10 171.32 1qqb s ILE 184 N -0.02 2.05 0.58 7.04 1.01 -0.35 -0.88 121.20 130.63 1qqb s ILE 184 Ca -0.02 -2.17 -0.03 0.00 0.00 0.00 0.00 60.65 58.42 1qqb s ILE 184 Cb -0.03 -2.51 0.02 0.00 0.01 0.00 0.00 42.46 39.95 1qqb s ILE 184 CO 0.01 -0.60 0.85 -2.16 0.00 0.00 0.00 174.94 173.05 1qqb s PRO 185 N 1.02 2.74 0.74 2.79 0.04 -1.11 -0.59 135.00 140.63 1qqb s PRO 185 Ca 0.10 -0.29 -0.03 0.00 0.04 0.00 0.00 61.00 60.82 1qqb s PRO 185 Cb -0.19 -2.35 0.12 0.00 0.04 0.00 0.00 34.50 32.13 1qqb s PRO 185 CO -0.11 -0.72 1.02 0.20 0.04 0.00 0.00 177.00 177.44 1qqb s GLY 186 N -4.35 1.76 -0.02 0.56 0.00 -1.26 0.13 107.32 104.15 1qqb s GLY 186 Ca 0.54 -1.57 -0.38 0.00 0.00 0.00 0.00 44.72 43.32 1qqb s GLY 186 CO 0.42 -1.01 1.47 -1.05 0.00 0.00 0.00 173.10 172.93 1qqb n PRO 187 N -2.92 1.19 0.31 2.90 -0.02 -1.22 -4.53 135.00 130.71 1qqb n PRO 187 Ca 0.14 0.43 0.20 0.00 -2.02 0.00 0.00 63.50 62.25 1qqb n PRO 187 Cb 0.60 -2.09 0.97 0.00 -0.02 0.00 0.00 33.50 32.96 1qqb n PRO 187 CO 0.00 0.00 0.00 -0.07 1.98 0.00 0.00 175.50 177.41 1qqb h LEU 188 N 5.43 0.00 0.00 2.45 3.38 -1.92 -1.84 115.31 122.81 1qqb h LEU 188 Ca -0.47 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.50 1qqb h LEU 188 Cb 1.33 0.00 0.00 0.00 0.09 0.00 0.00 40.66 42.08 1qqb h LEU 188 CO 0.84 0.01 0.00 -0.62 0.09 0.00 0.00 178.44 178.76 1qqb n GLU 189 N -3.16 0.66 -4.40 1.13 4.71 -1.26 -3.85 120.64 114.47 1qqb n GLU 189 Ca -0.02 0.01 -0.24 0.00 -0.01 0.00 0.00 57.16 56.91 1qqb n GLU 189 Cb 0.17 -1.50 -0.09 0.00 -1.01 0.00 0.00 31.44 29.01 1qqb n GLU 189 CO 0.00 0.00 0.00 1.03 0.09 0.00 0.00 177.13 178.25 1qqb s ARG 190 N -2.10 1.91 0.01 3.49 0.52 -0.69 -4.50 118.95 117.59 1qqb s ARG 190 Ca 0.32 -1.61 -0.26 0.00 -0.52 0.00 0.00 55.73 53.66 1qqb s ARG 190 Cb 0.16 -1.93 -0.15 0.00 0.52 0.00 0.00 34.95 33.55 1qqb s ARG 190 CO 0.28 0.35 1.09 -0.97 0.02 0.00 0.00 175.30 176.08 1qqb h ASN 191 N 2.21 -0.79 0.00 0.23 -1.24 -1.79 0.48 115.58 114.67 1qqb h ASN 191 Ca -0.42 0.02 0.00 0.00 0.71 0.00 0.00 56.30 56.61 1qqb h ASN 191 Cb 1.25 0.21 0.00 0.00 0.73 0.00 0.00 38.32 40.51 1qqb h ASN 191 CO 0.59 -0.41 0.31 0.71 -1.29 0.00 0.00 177.43 177.34 1qqb h THR 192 N -1.24 0.00 0.00 -3.57 1.35 -1.90 0.53 112.91 108.08 1qqb h THR 192 Ca -0.10 0.00 0.00 0.00 -0.55 0.00 0.00 66.41 65.76 1qqb h THR 192 Cb 0.72 0.48 0.00 0.00 -1.73 0.00 0.00 68.15 67.63 1qqb h THR 192 CO 0.16 0.00 0.00 0.61 -0.25 0.00 0.00 175.52 176.04 1qqb n GLY 193 N -1.25 0.20 0.29 5.82 0.00 -1.02 -4.06 105.19 105.16 1qqb n GLY 193 Ca -0.01 0.00 0.04 0.00 0.00 0.00 0.00 46.02 46.04 1qqb n GLY 193 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1qqb h ALA 194 N -2.00 1.13 -0.36 4.61 0.00 -0.82 -2.77 119.26 119.06 1qqb h ALA 194 Ca 0.00 0.06 -0.12 0.00 0.00 0.00 0.00 54.91 54.85 1qqb h ALA 194 Cb 0.00 -0.05 -0.01 0.00 0.00 0.00 0.00 17.79 17.72 1qqb h ALA 194 CO 0.00 -0.03 -0.28 0.78 0.00 0.00 0.00 179.25 179.72 1qqb h GLY 195 N 0.66 0.81 1.02 0.00 0.00 -0.08 -2.44 103.07 103.04 1qqb h GLY 195 Ca 0.40 -0.74 -0.12 0.00 0.00 0.00 0.00 47.33 46.87 1qqb h GLY 195 CO -0.30 0.67 -0.27 3.21 0.00 0.00 0.00 176.54 179.85 1qqb h ARG 196 N 0.64 0.80 -0.14 4.80 3.08 -1.55 -2.71 114.38 119.30 1qqb h ARG 196 Ca 0.08 -0.39 0.03 0.00 0.07 0.00 0.00 59.98 59.77 1qqb h ARG 196 Cb 0.80 0.00 -0.03 0.00 0.08 0.00 0.00 29.97 30.82 1qqb h ARG 196 CO 0.07 1.02 -0.07 1.25 -1.07 0.00 0.00 179.97 181.17 1qqb h LEU 197 N 0.58 -0.23 -0.46 3.04 5.85 -1.42 -1.82 115.31 120.85 1qqb h LEU 197 Ca 0.06 0.06 -0.04 0.00 0.84 0.00 0.00 57.88 58.80 1qqb h LEU 197 Cb 0.84 0.13 -0.02 0.00 0.37 0.00 0.00 40.66 41.98 1qqb h LEU 197 CO 0.07 -0.10 0.13 0.00 -0.34 0.00 0.00 178.44 178.20 1qqb h ALA 198 N 1.06 0.60 -0.73 1.25 0.00 -1.48 0.86 119.26 120.82 1qqb h ALA 198 Ca 0.08 -0.19 0.06 0.00 0.00 0.00 0.00 54.91 54.86 1qqb h ALA 198 Cb 0.18 -0.18 -0.06 0.00 0.00 0.00 0.00 17.79 17.73 1qqb h ALA 198 CO -0.18 0.27 0.42 0.78 0.00 0.00 0.00 179.25 180.55 1qqb h GLY 199 N 0.61 1.08 1.00 0.00 0.00 -1.26 0.51 103.07 105.01 1qqb h GLY 199 Ca 0.15 -0.30 -0.05 0.00 0.00 0.00 0.00 47.33 47.13 1qqb h GLY 199 CO -0.00 0.20 0.18 -2.75 0.00 0.00 0.00 176.54 174.16 1qqb h PHE 200 N 0.78 0.96 -0.16 5.60 3.57 -0.89 -2.73 116.94 124.06 1qqb h PHE 200 Ca 0.32 -0.10 -0.09 0.00 3.53 0.00 0.00 57.97 61.63 1qqb h PHE 200 Cb 0.17 -0.28 -0.01 0.00 2.79 0.00 0.00 35.95 38.63 1qqb h PHE 200 CO -0.06 0.80 -0.30 1.98 -2.23 0.00 0.00 178.31 178.50 1qqb h MET 201 N 0.84 0.32 -0.63 1.11 4.05 0.21 -2.88 114.93 117.94 1qqb h MET 201 Ca 0.19 -0.12 -0.02 0.00 -0.28 0.00 0.00 59.70 59.47 1qqb h MET 201 Cb 0.30 -0.02 -0.03 0.00 -0.80 0.00 0.00 31.60 31.05 1qqb h MET 201 CO -0.00 0.59 0.34 1.57 0.23 0.00 0.00 176.91 179.63 1qqb h LYS 202 N 0.28 0.89 -0.64 0.39 5.09 -0.66 -1.10 116.57 120.82 1qqb h LYS 202 Ca 0.04 -0.11 0.06 0.00 0.09 0.00 0.00 60.65 60.73 1qqb h LYS 202 Cb 0.67 -0.17 -0.04 0.00 0.10 0.00 0.00 32.23 32.79 1qqb h LYS 202 CO 0.05 0.68 0.42 0.00 -2.09 0.00 0.00 179.45 178.52 1qqb h ALA 203 N 1.16 1.76 0.16 0.07 0.00 -1.32 0.21 119.26 121.29 1qqb h ALA 203 Ca 0.22 -0.02 -0.01 0.00 0.00 0.00 0.00 54.91 55.10 1qqb h ALA 203 Cb 0.06 -0.17 0.00 0.00 0.00 0.00 0.00 17.79 17.68 1qqb h ALA 203 CO -0.03 0.15 -0.08 0.52 0.00 0.00 0.00 179.25 179.81 1qqb h MET 204 N 0.66 -0.20 -0.84 0.00 2.86 -1.07 -2.54 114.93 113.79 1qqb h MET 204 Ca 0.27 0.01 0.07 0.00 -2.06 0.00 0.00 59.70 58.00 1qqb h MET 204 Cb 0.24 0.05 -0.07 0.00 0.06 0.00 0.00 31.60 31.88 1qqb h MET 204 CO -0.08 0.20 0.51 0.93 1.06 0.00 0.00 176.91 179.53 1qqb h GLU 205 N -0.68 0.88 -0.03 1.72 4.39 -0.96 0.83 114.58 120.72 1qqb h GLU 205 Ca -0.02 -0.05 0.01 0.00 0.34 0.00 0.00 59.36 59.64 1qqb h GLU 205 Cb 0.50 -0.20 -0.00 0.00 -0.10 0.00 0.00 28.75 28.95 1qqb h GLU 205 CO 0.04 0.58 0.03 0.93 -1.16 0.00 0.00 179.01 179.43 1qqb h GLU 206 N 0.91 0.00 -0.55 2.33 5.08 -0.94 -0.55 114.58 120.86 1qqb h GLU 206 Ca 0.38 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.74 1qqb h GLU 206 Cb 0.24 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.49 1qqb h GLU 206 CO -0.20 0.00 0.00 0.00 -1.00 0.00 0.00 179.01 177.81 1qqb n ALA 207 N -2.44 2.36 -2.10 3.43 0.00 0.26 -4.92 120.51 117.11 1qqb n ALA 207 Ca -0.02 -1.16 -0.15 0.00 0.00 0.00 0.00 53.44 52.11 1qqb n ALA 207 Cb 0.12 -0.82 -0.02 0.00 0.00 0.00 0.00 19.45 18.73 1qqb n ALA 207 CO 0.00 0.00 0.00 -1.33 0.00 0.00 0.00 177.50 176.17 1qqb n MET 208 N 1.42 -1.16 -3.75 0.00 2.81 0.34 -4.97 117.12 111.80 1qqb n MET 208 Ca 0.21 0.79 -0.37 0.00 -1.81 0.00 0.00 57.70 56.52 1qqb n MET 208 Cb 0.58 -5.08 -0.06 0.00 -0.71 0.00 0.00 33.22 27.95 1qqb n MET 208 CO 0.00 0.00 0.00 0.42 1.51 0.00 0.00 175.97 177.90 1qqb s ILE 209 N -2.71 5.38 -0.16 2.02 1.01 -0.05 -5.00 121.20 121.71 1qqb s ILE 209 Ca 0.00 0.36 -0.03 0.00 0.00 0.00 0.00 60.65 60.98 1qqb s ILE 209 Cb 0.00 -3.49 -0.02 0.00 0.01 0.00 0.00 42.46 38.95 1qqb s ILE 209 CO 0.00 0.56 -0.05 -1.59 0.00 0.00 0.00 174.94 173.86 1qqb s LYS 210 N -0.66 3.61 -0.43 2.79 0.00 -1.26 -4.12 119.74 119.67 1qqb s LYS 210 Ca 0.16 -0.55 -0.13 0.00 0.00 0.00 0.00 55.97 55.44 1qqb s LYS 210 Cb -0.13 -2.88 0.05 0.00 0.00 0.00 0.00 37.83 34.88 1qqb s LYS 210 CO 0.05 0.21 0.31 0.54 0.00 0.00 0.00 175.35 176.46 1qqb s VAL 211 N 0.43 4.93 0.12 1.79 0.11 -1.26 -4.93 120.40 121.59 1qqb s VAL 211 Ca -0.05 -0.99 -0.35 0.00 -2.93 0.00 0.00 61.98 57.66 1qqb s VAL 211 Cb -0.14 -3.87 -0.15 0.00 -1.53 0.00 0.00 36.38 30.69 1qqb s VAL 211 CO 0.03 -0.44 1.52 -0.81 -3.33 0.00 0.00 175.10 172.08 1qqb n PRO 212 N 5.10 1.84 0.16 1.54 -0.05 -1.26 -4.85 135.00 137.49 1qqb n PRO 212 Ca -0.12 0.67 0.19 0.00 -0.05 0.00 0.00 63.50 64.19 1qqb n PRO 212 Cb 0.45 -2.40 0.77 0.00 -0.05 0.00 0.00 33.50 32.27 1qqb n PRO 212 CO 0.00 0.00 0.00 1.05 -0.05 0.00 0.00 175.50 176.50 1qqb h GLU 213 N 5.66 0.00 0.00 0.54 4.11 -1.95 0.69 114.58 123.63 1qqb h GLU 213 Ca -0.46 0.00 0.00 0.00 0.07 0.00 0.00 59.36 58.97 1qqb h GLU 213 Cb 1.28 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.53 1qqb h GLU 213 CO 0.86 0.00 0.00 -1.13 0.07 0.00 0.00 179.01 178.81 1qqb n SER 214 N -3.52 0.00 -0.47 3.06 3.41 -1.26 -1.93 113.62 112.90 1qqb n SER 214 Ca 0.04 -0.75 0.06 0.00 -0.26 0.00 0.00 58.87 57.97 1qqb n SER 214 Cb 0.53 0.00 0.05 0.00 -0.26 0.00 0.00 64.21 64.53 1qqb n SER 214 CO 0.00 0.00 0.00 0.79 -0.16 0.00 0.00 175.04 175.67 1qqb n TRP 215 N -0.95 0.00 -3.98 7.33 7.02 0.24 -4.79 117.44 122.30 1qqb n TRP 215 Ca 0.15 0.00 -0.35 0.00 -1.02 0.00 0.00 57.50 56.28 1qqb n TRP 215 Cb 0.07 0.00 -0.14 0.00 -2.42 0.00 0.00 31.31 28.82 1qqb n TRP 215 CO 0.00 0.00 0.00 0.96 -2.02 0.00 0.00 177.69 176.63 1qqb s ILE 216 N -1.04 3.34 -0.06 -0.99 -0.00 -0.81 -0.56 121.20 121.08 1qqb s ILE 216 Ca 0.14 -0.51 0.02 0.00 -0.00 0.00 0.00 60.65 60.30 1qqb s ILE 216 Cb 0.10 -2.51 0.02 0.00 -0.00 0.00 0.00 42.46 40.07 1qqb s ILE 216 CO 0.16 0.43 -0.10 -0.69 -0.00 0.00 0.00 174.94 174.75 1qqb s VAL 217 N 1.37 0.95 0.10 8.37 1.01 -0.06 -4.99 120.40 127.15 1qqb s VAL 217 Ca 0.04 -0.37 -0.31 0.00 0.00 0.00 0.00 61.98 61.34 1qqb s VAL 217 Cb -0.14 -0.89 -0.07 0.00 0.00 0.00 0.00 36.38 35.28 1qqb s VAL 217 CO -0.03 0.31 1.23 -1.10 0.00 0.00 0.00 175.10 175.52 1qqb s GLN 218 N 0.70 4.42 0.55 2.72 -1.52 -1.26 -2.76 119.66 122.51 1qqb s GLN 218 Ca -0.13 1.85 0.04 0.00 -1.95 0.00 0.00 55.36 55.16 1qqb s GLN 218 Cb -0.15 -3.31 0.03 0.00 -0.22 0.00 0.00 33.01 29.36 1qqb s GLN 218 CO 0.03 -0.26 0.30 0.20 -0.25 0.00 0.00 175.29 175.32 1qqb s GLY 219 N 0.88 2.57 -0.07 3.09 0.00 0.36 -4.91 107.32 109.24 1qqb s GLY 219 Ca 0.59 -0.91 0.10 0.00 0.00 0.00 0.00 44.72 44.49 1qqb s GLY 219 CO 0.31 -2.02 1.07 2.09 0.00 0.00 0.00 173.10 174.54 1qqb n ASP 220 N -1.66 1.31 -0.12 1.64 5.68 -1.26 -3.37 116.55 118.76 1qqb n ASP 220 Ca -0.07 -2.55 -0.02 0.00 -0.50 0.00 0.00 54.79 51.65 1qqb n ASP 220 Cb 0.65 -0.31 -0.01 0.00 -1.14 0.00 0.00 41.12 40.31 1qqb n ASP 220 CO 0.00 0.00 0.00 0.49 -1.33 0.00 0.00 177.20 176.36 1qqb n PHE 221 N -0.78 0.00 -4.56 2.11 3.72 -1.26 -4.87 117.46 111.82 1qqb n PHE 221 Ca 0.08 0.00 -0.33 0.00 -0.05 0.00 0.00 57.45 57.15 1qqb n PHE 221 Cb 0.65 -0.92 -0.11 0.00 -0.94 0.00 0.00 39.48 38.16 1qqb n PHE 221 CO 0.00 0.00 0.00 -1.21 -0.05 0.00 0.00 176.76 175.50 1qqb s GLU 222 N -1.13 2.66 0.24 -1.08 0.41 -1.26 -4.23 118.70 114.30 1qqb s GLU 222 Ca 0.00 -0.62 -0.11 0.00 -0.41 0.00 0.00 54.97 53.82 1qqb s GLU 222 Cb 0.00 -2.55 0.34 0.00 -1.78 0.00 0.00 34.13 30.14 1qqb s GLU 222 CO 0.00 0.64 1.59 -1.35 -0.49 0.00 0.00 175.26 175.65 1qqb h PRO 223 N 4.93 -0.00 -1.00 0.39 0.11 -1.87 0.48 132.00 135.04 1qqb h PRO 223 Ca -0.49 0.00 0.10 0.00 0.11 0.00 0.00 66.00 65.72 1qqb h PRO 223 Cb 1.17 0.00 -0.08 0.00 0.11 0.00 0.00 31.00 32.20 1qqb h PRO 223 CO 0.53 -0.00 0.64 1.49 -0.21 0.00 0.00 178.00 180.45 1qqb h GLU 224 N -0.00 1.03 -0.12 1.05 4.57 -1.92 -0.36 114.58 118.83 1qqb h GLU 224 Ca 0.38 -0.06 -0.04 0.00 -1.18 0.00 0.00 59.36 58.46 1qqb h GLU 224 Cb 0.59 -0.23 -0.01 0.00 -0.16 0.00 0.00 28.75 28.94 1qqb h GLU 224 CO -0.83 0.68 -0.12 0.66 -1.18 0.00 0.00 179.01 178.22 1qqb h SER 225 N 1.06 0.17 -0.03 1.04 4.64 -0.43 -1.79 113.55 118.21 1qqb h SER 225 Ca 0.47 -0.03 -0.21 0.00 -0.47 0.00 0.00 61.79 61.55 1qqb h SER 225 Cb 0.37 -0.04 0.00 0.00 -0.31 0.00 0.00 62.40 62.42 1qqb h SER 225 CO -0.23 0.31 -0.74 1.23 -0.87 0.00 0.00 176.83 176.53 1qqb h GLY 226 N 0.65 0.74 0.31 -0.77 0.00 -0.58 -2.68 103.07 100.75 1qqb h GLY 226 Ca 0.04 -1.03 -0.01 0.00 0.00 0.00 0.00 47.33 46.33 1qqb h GLY 226 CO 0.02 0.92 -0.19 -1.82 0.00 0.00 0.00 176.54 175.46 1qqb h TYR 227 N 0.47 -0.52 -0.74 5.60 5.03 -0.51 -1.38 116.97 124.92 1qqb h TYR 227 Ca -0.04 -0.00 0.16 0.00 2.58 0.00 0.00 58.73 61.43 1qqb h TYR 227 Cb 1.35 0.19 -0.13 0.00 1.55 0.00 0.00 36.73 39.68 1qqb h TYR 227 CO 0.07 -0.29 -0.02 0.00 -1.32 0.00 0.00 178.16 176.60 1qqb h ARG 228 N -0.47 0.09 0.18 1.82 -0.00 -1.43 -1.36 114.38 113.21 1qqb h ARG 228 Ca -0.04 -0.01 -0.01 0.00 -0.50 0.00 0.00 59.98 59.42 1qqb h ARG 228 Cb 0.38 -0.02 0.00 0.00 0.00 0.00 0.00 29.97 30.33 1qqb h ARG 228 CO 0.04 0.06 -0.09 0.00 0.00 0.00 0.00 179.97 179.98 1qqb h ALA 229 N 1.70 -0.24 -0.73 0.04 0.00 -1.44 0.25 119.26 118.83 1qqb h ALA 229 Ca 0.40 -0.10 0.12 0.00 0.00 0.00 0.00 54.91 55.32 1qqb h ALA 229 Cb 0.68 0.09 -0.08 0.00 0.00 0.00 0.00 17.79 18.49 1qqb h ALA 229 CO -0.66 -0.57 0.32 1.98 0.00 0.00 0.00 179.25 180.32 1qqb h MET 230 N -0.37 0.50 -0.28 0.00 -1.53 -0.85 0.24 114.93 112.63 1qqb h MET 230 Ca -0.02 -0.03 -0.03 0.00 -3.44 0.00 0.00 59.70 56.18 1qqb h MET 230 Cb 0.29 -0.11 -0.01 0.00 -0.55 0.00 0.00 31.60 31.22 1qqb h MET 230 CO 0.04 0.33 0.06 0.37 0.14 0.00 0.00 176.91 177.86 1qqb h GLN 231 N 0.51 0.44 -0.36 0.39 4.15 -1.04 -0.38 115.11 118.83 1qqb h GLN 231 Ca 0.38 -0.11 -0.03 0.00 0.77 0.00 0.00 58.65 59.66 1qqb h GLN 231 Cb 0.50 -0.06 -0.02 0.00 0.21 0.00 0.00 27.48 28.12 1qqb h GLN 231 CO -0.34 0.53 0.08 1.96 -1.93 0.00 0.00 178.83 179.13 1qqb h GLN 232 N 0.28 0.53 0.13 1.69 4.20 0.10 0.58 115.11 122.62 1qqb h GLN 232 Ca 0.09 -0.09 -0.01 0.00 0.06 0.00 0.00 58.65 58.70 1qqb h GLN 232 Cb 0.29 -0.09 0.00 0.00 0.30 0.00 0.00 27.48 27.98 1qqb h GLN 232 CO 0.00 0.50 -0.06 0.82 -0.67 0.00 0.00 178.83 179.42 1qqb h ILE 233 N 0.52 1.05 0.00 2.54 2.04 -0.02 -3.13 117.51 120.51 1qqb h ILE 233 Ca 0.12 -0.82 -0.01 0.00 1.00 0.00 0.00 64.86 65.15 1qqb h ILE 233 Cb 0.22 1.55 -0.00 0.00 -0.74 0.00 0.00 36.82 37.84 1qqb h ILE 233 CO -0.00 0.19 -0.06 -0.07 0.00 0.00 0.00 178.15 178.21 1qqb h LEU 234 N -0.56 0.00 -0.01 1.44 3.38 -0.99 -2.76 115.31 115.80 1qqb h LEU 234 Ca -0.02 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.95 1qqb h LEU 234 Cb 0.44 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.19 1qqb h LEU 234 CO 0.03 0.06 0.00 -1.20 0.09 0.00 0.00 178.44 177.42 1qqb n SER 235 N -3.15 0.01 -4.86 -0.43 7.64 0.20 -4.80 113.62 108.22 1qqb n SER 235 Ca 0.01 0.50 -0.31 0.00 1.01 0.00 0.00 58.87 60.09 1qqb n SER 235 Cb 0.41 -0.50 -0.02 0.00 -1.01 0.00 0.00 64.21 63.08 1qqb n SER 235 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 1qqb s GLN 236 N -3.01 3.77 0.16 1.43 -2.07 -1.04 -4.99 119.66 113.91 1qqb s GLN 236 Ca 0.04 0.70 -0.16 0.00 -1.82 0.00 0.00 55.36 54.12 1qqb s GLN 236 Cb 0.06 -2.21 0.06 0.00 -1.09 0.00 0.00 33.01 29.83 1qqb s GLN 236 CO 0.16 -0.29 1.75 -1.00 -1.32 0.00 0.00 175.29 174.59 1qqb h PRO 237 N 0.58 0.27 -5.16 9.60 0.13 -1.89 -3.38 132.00 132.15 1qqb h PRO 237 Ca -0.46 -0.02 -0.65 0.00 -0.87 0.00 0.00 66.00 64.00 1qqb h PRO 237 Cb 1.19 -0.06 -0.25 0.00 0.13 0.00 0.00 31.00 32.01 1qqb h PRO 237 CO 0.62 0.18 -0.70 -1.58 -0.23 0.00 0.00 178.00 176.29 1qqb s HIS 238 N -6.16 2.97 0.10 1.56 5.65 -1.26 -5.12 115.29 113.03 1qqb s HIS 238 Ca -0.13 -0.61 0.07 0.00 0.25 0.00 0.00 55.06 54.64 1qqb s HIS 238 Cb 0.12 -2.02 -0.03 0.00 -1.18 0.00 0.00 32.58 29.47 1qqb s HIS 238 CO 0.71 -0.29 -0.17 -0.98 -0.65 0.00 0.00 174.74 173.36 1qqb s ARG 239 N 0.88 1.01 0.97 2.88 1.70 -1.26 -5.00 118.95 120.14 1qqb s ARG 239 Ca -0.01 -1.11 -0.12 0.00 -0.47 0.00 0.00 55.73 54.02 1qqb s ARG 239 Cb -0.15 -1.12 0.17 0.00 -0.57 0.00 0.00 34.95 33.28 1qqb s ARG 239 CO 0.01 0.25 1.09 -1.25 -1.08 0.00 0.00 175.30 174.33 1qqb s PRO 240 N -1.98 0.64 0.00 3.89 0.04 -1.26 -4.94 135.00 131.37 1qqb s PRO 240 Ca 0.04 0.59 0.19 0.00 0.04 0.00 0.00 61.00 61.86 1qqb s PRO 240 Cb -0.09 -1.75 0.12 0.00 0.04 0.00 0.00 34.50 32.82 1qqb s PRO 240 CO 0.04 -2.61 1.07 0.25 0.04 0.00 0.00 177.00 175.79 1qqb n THR 241 N -4.10 0.00 -3.59 1.26 -2.24 0.28 -4.94 114.28 100.94 1qqb n THR 241 Ca 0.06 -0.47 -0.16 0.00 -2.27 0.00 0.00 64.05 61.21 1qqb n THR 241 Cb 0.57 1.36 -0.07 0.00 -2.10 0.00 0.00 70.33 70.09 1qqb n THR 241 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 1qqb s ALA 242 N -1.68 -1.69 -0.04 6.98 0.00 -0.94 -2.50 121.76 121.89 1qqb s ALA 242 Ca 0.21 1.60 0.03 0.00 0.00 0.00 0.00 51.96 53.80 1qqb s ALA 242 Cb 0.16 -0.58 0.00 0.00 0.00 0.00 0.00 23.12 22.69 1qqb s ALA 242 CO 0.28 -0.34 -0.13 0.08 0.00 0.00 0.00 175.76 175.64 1qqb s VAL 243 N -0.38 1.13 -0.39 0.00 1.01 0.21 -1.35 120.40 120.63 1qqb s VAL 243 Ca -0.05 -0.54 -0.12 0.00 0.00 0.00 0.00 61.98 61.27 1qqb s VAL 243 Cb -0.03 -0.99 0.03 0.00 0.00 0.00 0.00 36.38 35.39 1qqb s VAL 243 CO 0.05 0.34 0.23 0.12 0.00 0.00 0.00 175.10 175.84 1qqb s PHE 244 N 0.20 3.25 -0.29 5.22 5.36 -0.21 -0.65 117.98 130.85 1qqb s PHE 244 Ca -0.05 -0.90 -0.09 0.00 -0.96 0.00 0.00 56.93 54.92 1qqb s PHE 244 Cb -0.11 -2.50 -0.02 0.00 -0.34 0.00 0.00 43.02 40.06 1qqb s PHE 244 CO 0.02 -0.65 0.14 0.00 -1.46 0.00 0.00 175.22 173.27 1qqb n GLY 246 N 4.98 -0.32 3.63 0.00 0.00 0.24 -3.26 105.19 110.47 1qqb n GLY 246 Ca -0.14 0.03 -0.12 0.00 0.00 0.00 0.00 46.02 45.79 1qqb n GLY 246 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 1qqb s GLY 247 N -2.61 -0.42 0.28 -0.02 0.00 -1.24 -4.59 107.32 98.72 1qqb s GLY 247 Ca -0.00 2.29 0.02 0.00 0.00 0.00 0.00 44.72 47.03 1qqb s GLY 247 CO 0.03 1.87 1.74 -0.55 0.00 0.00 0.00 173.10 176.19 1qqb h ASP 248 N 5.01 0.50 -0.37 1.64 3.32 -1.39 0.11 116.42 125.25 1qqb h ASP 248 Ca -0.29 0.11 -0.05 0.00 0.02 0.00 0.00 57.03 56.82 1qqb h ASP 248 Cb 1.17 0.04 -0.01 0.00 0.22 0.00 0.00 39.33 40.75 1qqb h ASP 248 CO 0.08 0.16 0.02 0.40 -1.72 0.00 0.00 179.24 178.18 1qqb h ILE 249 N 0.57 1.25 -0.72 0.35 1.08 -1.88 0.49 117.51 118.66 1qqb h ILE 249 Ca 0.51 -0.95 -0.03 0.00 -0.39 0.00 0.00 64.86 64.00 1qqb h ILE 249 Cb 0.83 1.15 -0.03 0.00 -3.07 0.00 0.00 36.82 35.69 1qqb h ILE 249 CO -0.42 0.32 0.31 0.24 -0.69 0.00 0.00 178.15 177.91 1qqb h MET 250 N 0.46 1.05 -1.01 2.37 2.86 -1.60 -1.93 114.93 117.13 1qqb h MET 250 Ca 0.11 -0.16 0.02 0.00 -2.06 0.00 0.00 59.70 57.60 1qqb h MET 250 Cb 0.43 -0.18 -0.05 0.00 0.06 0.00 0.00 31.60 31.86 1qqb h MET 250 CO 0.02 0.83 0.67 0.00 1.06 0.00 0.00 176.91 179.48 1qqb h ALA 251 N 1.31 1.30 -0.06 6.32 0.00 0.55 0.84 119.26 129.51 1qqb h ALA 251 Ca 0.25 -0.06 -0.01 0.00 0.00 0.00 0.00 54.91 55.08 1qqb h ALA 251 Cb 0.16 -0.39 -0.00 0.00 0.00 0.00 0.00 17.79 17.55 1qqb h ALA 251 CO -0.03 0.63 -0.02 0.00 0.00 0.00 0.00 179.25 179.84 1qqb h MET 252 N 1.34 0.09 0.00 0.00 3.00 0.71 0.15 114.93 120.21 1qqb h MET 252 Ca 0.38 -0.01 -0.12 0.00 0.00 0.00 0.00 59.70 59.95 1qqb h MET 252 Cb -0.11 -0.02 -0.02 0.00 0.00 0.00 0.00 31.60 31.46 1qqb h MET 252 CO -0.09 0.12 -0.58 0.78 0.00 0.00 0.00 176.91 177.13 1qqb h GLY 253 N 0.26 0.00 1.28 -3.00 0.00 -0.51 -2.73 103.07 98.37 1qqb h GLY 253 Ca 0.02 0.00 -0.21 0.00 0.00 0.00 0.00 47.33 47.15 1qqb h GLY 253 CO 0.00 0.00 -0.72 0.00 0.00 0.00 0.00 176.54 175.82 1qqb h ALA 254 N 1.42 0.42 -0.12 3.60 0.00 0.47 -2.88 119.26 122.17 1qqb h ALA 254 Ca -0.01 -0.58 -0.00 0.00 0.00 0.00 0.00 54.91 54.32 1qqb h ALA 254 Cb 1.21 -0.04 -0.01 0.00 0.00 0.00 0.00 17.79 18.95 1qqb h ALA 254 CO 0.08 0.70 0.07 -0.07 0.00 0.00 0.00 179.25 180.03 1qqb h LEU 255 N 0.50 0.14 -0.29 0.00 4.07 -0.93 -2.40 115.31 116.41 1qqb h LEU 255 Ca -0.03 -0.04 0.04 0.00 0.08 0.00 0.00 57.88 57.92 1qqb h LEU 255 Cb 1.33 -0.04 -0.07 0.00 1.08 0.00 0.00 40.66 42.96 1qqb h LEU 255 CO 0.14 0.15 -0.51 0.00 -1.08 0.00 0.00 178.44 177.14 1qqb h ALA 257 N -0.23 0.34 -0.16 0.00 0.00 -1.43 0.41 119.26 118.20 1qqb h ALA 257 Ca 0.05 0.19 0.04 0.00 0.00 0.00 0.00 54.91 55.20 1qqb h ALA 257 Cb 0.58 0.38 -0.04 0.00 0.00 0.00 0.00 17.79 18.70 1qqb h ALA 257 CO -0.50 -0.44 -0.09 0.00 0.00 0.00 0.00 179.25 178.22 1qqb h ALA 258 N 1.50 0.04 -0.48 0.00 0.00 -0.88 0.27 119.26 119.70 1qqb h ALA 258 Ca 0.24 0.06 -0.03 0.00 0.00 0.00 0.00 54.91 55.19 1qqb h ALA 258 Cb 0.37 0.22 -0.02 0.00 0.00 0.00 0.00 17.79 18.35 1qqb h ALA 258 CO -0.52 -0.53 0.19 0.22 0.00 0.00 0.00 179.25 178.61 1qqb h ASP 259 N -0.09 0.63 0.60 0.00 1.82 -0.29 0.84 116.42 119.93 1qqb h ASP 259 Ca 0.09 -0.07 -0.06 0.00 -0.39 0.00 0.00 57.03 56.60 1qqb h ASP 259 Cb 0.22 -0.16 -0.01 0.00 0.68 0.00 0.00 39.33 40.06 1qqb h ASP 259 CO -0.21 0.58 -0.27 -0.33 -1.61 0.00 0.00 179.24 177.40 1qqb h GLU 260 N 0.69 0.00 -0.50 0.28 5.08 0.30 0.16 114.58 120.60 1qqb h GLU 260 Ca 0.17 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.53 1qqb h GLU 260 Cb 0.15 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.40 1qqb h GLU 260 CO -0.01 0.27 0.00 -1.33 -1.00 0.00 0.00 179.01 176.93 1qqb n MET 261 N -3.67 2.20 -1.78 2.33 2.81 0.31 -4.87 117.12 114.45 1qqb n MET 261 Ca -0.01 -1.42 -0.16 0.00 -1.81 0.00 0.00 57.70 54.29 1qqb n MET 261 Cb 0.38 -1.47 -0.05 0.00 -0.71 0.00 0.00 33.22 31.38 1qqb n MET 261 CO 0.00 0.00 0.00 0.41 1.51 0.00 0.00 175.97 177.89 1qqb n GLY 262 N 0.87 0.94 3.80 3.03 0.00 0.04 -4.97 105.19 108.90 1qqb n GLY 262 Ca 0.13 -0.22 -0.38 0.00 0.00 0.00 0.00 46.02 45.54 1qqb n GLY 262 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1qqb s LEU 263 N -4.10 4.51 -0.17 0.99 1.02 0.28 -4.97 118.68 116.25 1qqb s LEU 263 Ca 0.00 1.46 -0.15 0.00 0.02 0.00 0.00 54.13 55.46 1qqb s LEU 263 Cb 0.00 -3.23 -0.04 0.00 0.02 0.00 0.00 46.19 42.94 1qqb s LEU 263 CO 0.00 0.19 0.33 -0.13 0.02 0.00 0.00 176.35 176.76 1qqb s ARG 264 N -1.34 4.24 -0.18 1.70 1.81 -1.26 -3.87 118.95 120.05 1qqb s ARG 264 Ca 0.35 0.14 -0.02 0.00 -1.72 0.00 0.00 55.73 54.49 1qqb s ARG 264 Cb -0.20 -3.46 -0.00 0.00 -0.45 0.00 0.00 34.95 30.84 1qqb s ARG 264 CO 0.23 0.16 -0.11 0.08 -0.68 0.00 0.00 175.30 174.98 1qqb s VAL 265 N 0.70 2.95 -0.30 3.52 1.01 -1.26 0.32 120.40 127.33 1qqb s VAL 265 Ca 0.18 -0.66 0.15 0.00 0.00 0.00 0.00 61.98 61.65 1qqb s VAL 265 Cb -0.14 -2.29 0.74 0.00 0.00 0.00 0.00 36.38 34.70 1qqb s VAL 265 CO 0.05 0.48 1.66 -0.81 0.00 0.00 0.00 175.10 176.49 1qqb n PRO 266 N 4.39 4.34 -0.26 2.72 -0.04 -1.25 -4.74 135.00 140.16 1qqb n PRO 266 Ca -0.19 -3.07 -0.05 0.00 -0.04 0.00 0.00 63.50 60.15 1qqb n PRO 266 Cb 0.51 -2.14 0.06 0.00 -0.04 0.00 0.00 33.50 31.89 1qqb n PRO 266 CO 0.00 0.00 0.00 1.96 -0.04 0.00 0.00 175.50 177.42 1qqb h GLN 267 N 3.47 0.99 0.02 0.54 7.50 -1.77 -3.11 115.11 122.74 1qqb h GLN 267 Ca 0.00 -0.09 -0.31 0.00 0.50 0.00 0.00 58.65 58.75 1qqb h GLN 267 Cb 1.81 -0.21 -0.05 0.00 0.05 0.00 0.00 27.48 29.09 1qqb h GLN 267 CO 0.41 0.70 -1.81 -0.25 -1.50 0.00 0.00 178.83 176.39 1qqb n ASP 268 N -4.52 1.05 -3.77 1.46 8.00 0.95 -4.92 116.55 114.80 1qqb n ASP 268 Ca 0.06 0.35 -0.13 0.00 0.71 0.00 0.00 54.79 55.79 1qqb n ASP 268 Cb 0.06 -0.14 -0.11 0.00 -0.02 0.00 0.00 41.12 40.91 1qqb n ASP 268 CO 0.00 0.00 0.00 0.68 -0.39 0.00 0.00 177.20 177.49 1qqb s VAL 269 N -2.58 0.01 0.04 2.53 -7.23 -0.31 -4.89 120.40 107.97 1qqb s VAL 269 Ca -0.08 -0.06 -0.05 0.00 -1.81 0.00 0.00 61.98 59.98 1qqb s VAL 269 Cb 0.08 -0.44 -0.05 0.00 0.56 0.00 0.00 36.38 36.53 1qqb s VAL 269 CO 0.81 -0.03 0.28 -0.44 -0.31 0.00 0.00 175.10 175.40 1qqb s SER 270 N -0.02 6.46 -0.02 4.85 0.01 -1.04 -3.94 113.70 120.00 1qqb s SER 270 Ca -0.02 0.50 -0.02 0.00 1.31 0.00 0.00 55.95 57.73 1qqb s SER 270 Cb -0.03 -2.06 0.01 0.00 0.21 0.00 0.00 66.02 64.15 1qqb s SER 270 CO 0.01 0.20 0.06 -0.22 0.41 0.00 0.00 173.24 173.69 1qqb s LEU 271 N -2.08 1.62 -0.04 2.44 2.96 0.67 -0.62 118.68 123.63 1qqb s LEU 271 Ca 0.32 0.12 0.03 0.00 -0.22 0.00 0.00 54.13 54.37 1qqb s LEU 271 Cb -0.13 0.17 0.00 0.00 0.50 0.00 0.00 46.19 46.73 1qqb s LEU 271 CO 0.20 -0.04 -0.12 -0.51 -1.32 0.00 0.00 176.35 174.56 1qqb s ILE 272 N 0.25 1.04 0.00 6.68 2.07 0.18 -4.33 121.20 127.08 1qqb s ILE 272 Ca -0.02 -0.49 0.00 0.00 -1.41 0.00 0.00 60.65 58.73 1qqb s ILE 272 Cb -0.03 -0.92 0.00 0.00 0.13 0.00 0.00 42.46 41.64 1qqb s ILE 272 CO -0.01 0.32 0.00 0.61 -1.91 0.00 0.00 174.94 173.95 1qqb n GLY 273 N 3.34 1.59 3.55 1.50 0.00 0.43 -0.55 105.19 115.06 1qqb n GLY 273 Ca -0.19 -1.96 -0.01 0.00 0.00 0.00 0.00 46.02 43.86 1qqb n GLY 273 CO 0.00 0.00 0.00 -0.47 0.00 0.00 0.00 173.32 172.85 1qqb s TYR 274 N 1.89 -0.97 0.00 1.61 6.14 -1.20 -2.74 117.35 122.08 1qqb s TYR 274 Ca 0.00 1.73 0.00 0.00 0.64 0.00 0.00 57.07 59.44 1qqb s TYR 274 Cb 0.00 0.58 0.00 0.00 0.42 0.00 0.00 41.96 42.96 1qqb s TYR 274 CO 0.00 -0.48 0.00 -0.25 0.64 0.00 0.00 175.55 175.46 1qqb n ASP 275 N 4.93 0.00 -3.33 4.32 9.92 0.25 -1.13 116.55 131.52 1qqb n ASP 275 Ca -0.13 0.00 -0.17 0.00 -0.53 0.00 0.00 54.79 53.97 1qqb n ASP 275 Cb 0.52 0.00 0.07 0.00 -0.64 0.00 0.00 41.12 41.08 1qqb n ASP 275 CO 0.00 0.00 0.00 -3.20 0.13 0.00 0.00 177.20 174.13 1qqb n ASN 276 N 0.00 -5.61 -4.76 -2.24 5.15 -1.11 -1.73 115.26 104.96 1qqb n ASN 276 Ca 0.00 -0.72 -0.37 0.00 -0.60 0.00 0.00 54.58 52.89 1qqb n ASN 276 Cb 0.00 -5.02 0.01 0.00 -0.53 0.00 0.00 39.78 34.24 1qqb n ASN 276 CO 0.00 0.00 0.00 0.54 1.40 0.00 0.00 177.26 179.20 1qqb s VAL 277 N -3.40 2.81 0.35 3.44 0.11 -1.26 -4.78 120.40 117.67 1qqb s VAL 277 Ca 0.37 0.56 0.25 0.00 -2.93 0.00 0.00 61.98 60.22 1qqb s VAL 277 Cb -0.06 -3.26 0.39 0.00 -1.53 0.00 0.00 36.38 31.92 1qqb s VAL 277 CO 0.75 -0.06 1.28 0.54 -3.33 0.00 0.00 175.10 174.28 1qqb n ARG 278 N -1.05 -0.03 -0.45 1.54 1.74 -1.26 -1.06 116.66 116.08 1qqb n ARG 278 Ca 0.10 1.05 0.05 0.00 -0.77 0.00 0.00 57.85 58.29 1qqb n ARG 278 Cb 0.49 -2.03 0.19 0.00 -1.02 0.00 0.00 32.46 30.09 1qqb n ARG 278 CO 0.00 0.00 0.00 0.27 -1.52 0.00 0.00 177.63 176.38 1qqb n ASN 279 N -4.45 2.48 0.11 0.55 2.04 -1.26 -4.55 115.26 110.18 1qqb n ASN 279 Ca 0.33 -3.46 0.03 0.00 -0.44 0.00 0.00 54.58 51.03 1qqb n ASN 279 Cb 1.24 -0.53 0.41 0.00 -2.53 0.00 0.00 39.78 38.37 1qqb n ASN 279 CO 0.00 0.00 0.00 0.00 -0.44 0.00 0.00 177.26 176.82 1qqb h ALA 280 N 0.83 1.55 0.00 -2.53 0.00 -1.44 -0.49 119.26 117.18 1qqb h ALA 280 Ca 0.05 -0.17 -0.00 0.00 0.00 0.00 0.00 54.91 54.79 1qqb h ALA 280 Cb 1.23 -0.09 -0.00 0.00 0.00 0.00 0.00 17.79 18.93 1qqb h ALA 280 CO 0.13 0.32 -0.01 -0.09 0.00 0.00 0.00 179.25 179.61 1qqb h ARG 281 N 0.26 0.00 -0.71 0.00 1.12 -1.80 -1.01 114.38 112.24 1qqb h ARG 281 Ca 0.06 0.00 0.00 0.00 -1.11 0.00 0.00 59.98 58.93 1qqb h ARG 281 Cb 0.30 0.00 0.00 0.00 -0.01 0.00 0.00 29.97 30.26 1qqb h ARG 281 CO 0.01 0.01 0.00 0.66 -3.11 0.00 0.00 179.97 177.54 1qqb n TYR 282 N -3.17 1.03 -1.21 2.20 4.01 -0.20 -4.40 117.16 115.43 1qqb n TYR 282 Ca -0.02 -0.52 -0.29 0.00 -0.16 0.00 0.00 57.90 56.91 1qqb n TYR 282 Cb 0.13 -0.03 0.15 0.00 -0.31 0.00 0.00 39.34 39.28 1qqb n TYR 282 CO 0.00 0.00 0.00 -0.06 -0.46 0.00 0.00 176.86 176.34 1qqb s PHE 283 N -1.12 2.28 -0.31 -0.72 0.40 -0.41 -4.91 117.98 113.20 1qqb s PHE 283 Ca 0.49 1.19 0.02 0.00 -0.60 0.00 0.00 56.93 58.03 1qqb s PHE 283 Cb 0.26 -3.19 0.09 0.00 0.51 0.00 0.00 43.02 40.69 1qqb s PHE 283 CO 0.32 -2.50 0.02 0.99 0.70 0.00 0.00 175.22 174.75 1qqb s THR 284 N -2.95 1.89 0.77 0.64 2.01 -1.26 -2.19 115.64 114.55 1qqb s THR 284 Ca 0.64 -1.89 -0.08 0.00 0.31 0.00 0.00 61.69 60.67 1qqb s THR 284 Cb -0.18 -2.30 0.11 0.00 0.01 0.00 0.00 72.50 70.14 1qqb s THR 284 CO 0.57 -0.45 1.09 -2.16 -0.69 0.00 0.00 174.62 172.98 1qqb s PRO 285 N 1.14 1.69 0.05 4.92 0.04 -1.26 -4.95 135.00 136.62 1qqb s PRO 285 Ca 0.05 -0.48 -0.31 0.00 0.04 0.00 0.00 61.00 60.30 1qqb s PRO 285 Cb -0.19 -2.12 -0.10 0.00 0.04 0.00 0.00 34.50 32.13 1qqb s PRO 285 CO -0.10 -1.59 1.92 0.00 0.04 0.00 0.00 177.00 177.27 1qqb n ALA 286 N -3.12 1.66 -2.27 8.56 0.00 -0.93 -4.81 120.51 119.60 1qqb n ALA 286 Ca 0.11 0.25 -0.42 0.00 0.00 0.00 0.00 53.44 53.38 1qqb n ALA 286 Cb 0.60 -2.63 -0.03 0.00 0.00 0.00 0.00 19.45 17.39 1qqb n ALA 286 CO 0.00 0.00 0.00 -1.17 0.00 0.00 0.00 177.50 176.33 1qqb s LEU 287 N 3.88 4.33 0.03 0.00 2.96 -1.08 0.78 118.68 129.58 1qqb s LEU 287 Ca 0.87 2.11 -0.23 0.00 -0.22 0.00 0.00 54.13 56.66 1qqb s LEU 287 Cb -0.48 -3.57 -0.06 0.00 0.50 0.00 0.00 46.19 42.58 1qqb s LEU 287 CO 0.42 -0.66 0.69 -0.89 -1.32 0.00 0.00 176.35 174.59 1qqb s THR 288 N 1.96 4.78 0.25 3.68 2.01 -1.26 -4.36 115.64 122.69 1qqb s THR 288 Ca 0.62 1.47 -0.22 0.00 0.31 0.00 0.00 61.69 63.87 1qqb s THR 288 Cb -0.31 -4.03 0.05 0.00 0.01 0.00 0.00 72.50 68.21 1qqb s THR 288 CO 0.27 0.40 0.85 0.28 -0.69 0.00 0.00 174.62 175.73 1qqb s THR 289 N -0.22 0.00 -0.15 -0.82 -1.32 -0.64 -0.43 115.64 112.05 1qqb s THR 289 Ca 0.35 -0.84 -0.15 0.00 -1.21 0.00 0.00 61.69 59.83 1qqb s THR 289 Cb -0.20 -2.26 -0.04 0.00 -1.51 0.00 0.00 72.50 68.49 1qqb s THR 289 CO 0.21 0.00 0.36 -0.63 -2.21 0.00 0.00 174.62 172.35 1qqb s ILE 290 N -3.23 5.26 -0.07 5.08 -1.09 -1.11 -0.24 121.20 125.81 1qqb s ILE 290 Ca 0.13 0.69 -0.19 0.00 -2.23 0.00 0.00 60.65 59.05 1qqb s ILE 290 Cb -0.04 -3.70 -0.05 0.00 -1.58 0.00 0.00 42.46 37.09 1qqb s ILE 290 CO 0.06 0.35 0.53 -2.28 -1.23 0.00 0.00 174.94 172.37 1qqb s HIS 291 N 0.64 3.59 -0.17 3.97 5.65 0.29 0.88 115.29 130.13 1qqb s HIS 291 Ca 0.20 1.02 -0.06 0.00 0.25 0.00 0.00 55.06 56.47 1qqb s HIS 291 Cb -0.14 -2.56 -0.04 0.00 -1.18 0.00 0.00 32.58 28.66 1qqb s HIS 291 CO 0.06 0.26 0.04 -1.14 -0.65 0.00 0.00 174.74 173.31 1qqb s GLN 292 N 0.23 3.90 -1.20 2.88 2.00 -0.71 -2.07 119.66 124.69 1qqb s GLN 292 Ca 0.28 -0.39 -0.21 0.00 -2.00 0.00 0.00 55.36 53.04 1qqb s GLN 292 Cb -0.16 -3.13 -0.03 0.00 0.80 0.00 0.00 33.01 30.48 1qqb s GLN 292 CO 0.13 0.27 1.85 -1.25 -0.50 0.00 0.00 175.29 175.79 1qqb s PRO 293 N 0.36 3.03 0.08 1.67 0.04 -1.26 -4.79 135.00 134.13 1qqb s PRO 293 Ca 0.01 -1.40 -0.24 0.00 0.04 0.00 0.00 61.00 59.42 1qqb s PRO 293 Cb -0.13 -5.34 -0.16 0.00 0.04 0.00 0.00 34.50 28.92 1qqb s PRO 293 CO 0.01 -3.33 1.70 0.87 0.04 0.00 0.00 177.00 176.29 1qqb h LYS 294 N 9.09 -0.05 0.11 4.56 1.57 -1.94 -1.63 116.57 128.28 1qqb h LYS 294 Ca 0.29 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 59.07 1qqb h LYS 294 Cb 0.92 0.01 -0.01 0.00 0.08 0.00 0.00 32.23 33.24 1qqb h LYS 294 CO 1.31 0.00 -0.09 -0.44 -0.57 0.00 0.00 179.45 179.66 1qqb h ASP 295 N -0.08 -0.23 0.02 0.86 5.19 -1.86 0.32 116.42 120.63 1qqb h ASP 295 Ca -0.00 0.02 -0.01 0.00 -0.62 0.00 0.00 57.03 56.42 1qqb h ASP 295 Cb 0.07 0.08 -0.00 0.00 0.18 0.00 0.00 39.33 39.65 1qqb h ASP 295 CO 0.01 -0.14 -0.02 0.28 -3.12 0.00 0.00 179.24 176.24 1qqb h SER 296 N -0.21 0.02 -0.24 6.45 0.02 -1.97 0.93 113.55 118.55 1qqb h SER 296 Ca -0.00 -0.00 -0.07 0.00 -0.84 0.00 0.00 61.79 60.87 1qqb h SER 296 Cb 0.19 -0.01 -0.02 0.00 0.14 0.00 0.00 62.40 62.71 1qqb h SER 296 CO -0.01 0.05 -0.08 0.25 -1.14 0.00 0.00 176.83 175.90 1qqb h LEU 297 N 0.02 0.59 0.03 5.07 6.46 -0.13 -0.12 115.31 127.23 1qqb h LEU 297 Ca 0.01 -0.15 -0.04 0.00 -0.12 0.00 0.00 57.88 57.57 1qqb h LEU 297 Cb 0.06 -0.16 0.00 0.00 -0.73 0.00 0.00 40.66 39.84 1qqb h LEU 297 CO 0.00 0.72 -0.18 1.23 -0.62 0.00 0.00 178.44 179.60 1qqb h GLY 298 N 0.94 0.08 0.92 3.75 0.00 0.27 -3.14 103.07 105.89 1qqb h GLY 298 Ca 0.11 -0.20 0.03 0.00 0.00 0.00 0.00 47.33 47.27 1qqb h GLY 298 CO 0.03 0.17 0.58 -2.09 0.00 0.00 0.00 176.54 175.23 1qqb h GLU 299 N -0.82 1.12 -0.80 4.80 4.81 -0.45 -0.74 114.58 122.50 1qqb h GLU 299 Ca -0.03 -0.07 -0.04 0.00 -0.13 0.00 0.00 59.36 59.10 1qqb h GLU 299 Cb 1.10 -0.25 -0.04 0.00 0.63 0.00 0.00 28.75 30.20 1qqb h GLU 299 CO 0.03 0.74 0.36 1.15 -0.73 0.00 0.00 179.01 180.56 1qqb h THR 300 N 1.15 1.26 -0.06 0.32 2.02 -1.13 0.49 112.91 116.96 1qqb h THR 300 Ca 0.35 -0.76 -0.00 0.00 0.77 0.00 0.00 66.41 66.76 1qqb h THR 300 Cb -0.04 0.27 -0.00 0.00 -1.74 0.00 0.00 68.15 66.63 1qqb h THR 300 CO -0.10 0.32 0.02 0.00 0.37 0.00 0.00 175.52 176.13 1qqb h ALA 301 N 1.19 0.08 -0.23 6.16 0.00 -1.25 -1.34 119.26 123.86 1qqb h ALA 301 Ca 0.27 -0.08 0.01 0.00 0.00 0.00 0.00 54.91 55.11 1qqb h ALA 301 Cb 0.16 -0.02 -0.01 0.00 0.00 0.00 0.00 17.79 17.92 1qqb h ALA 301 CO -0.03 -0.34 0.15 0.35 0.00 0.00 0.00 179.25 179.38 1qqb h PHE 302 N -0.06 0.25 -0.20 0.00 3.57 -0.89 -1.52 116.94 118.09 1qqb h PHE 302 Ca 0.02 0.01 -0.11 0.00 3.53 0.00 0.00 57.97 61.42 1qqb h PHE 302 Cb 0.16 -0.08 -0.00 0.00 2.79 0.00 0.00 35.95 38.81 1qqb h PHE 302 CO -0.02 0.15 -0.30 -0.91 -2.23 0.00 0.00 178.31 175.01 1qqb h ASN 303 N 0.27 0.60 -0.49 0.41 2.35 -0.19 -2.03 115.58 116.50 1qqb h ASN 303 Ca 0.09 -0.52 0.01 0.00 -0.55 0.00 0.00 56.30 55.33 1qqb h ASN 303 Cb 0.03 -0.17 -0.03 0.00 0.05 0.00 0.00 38.32 38.20 1qqb h ASN 303 CO -0.02 1.01 0.31 0.24 -1.65 0.00 0.00 177.43 177.32 1qqb h MET 304 N 0.22 0.62 0.04 0.81 2.86 -0.61 -2.31 114.93 116.56 1qqb h MET 304 Ca 0.02 -0.04 0.02 0.00 -2.06 0.00 0.00 59.70 57.65 1qqb h MET 304 Cb 0.88 -0.14 -0.05 0.00 0.06 0.00 0.00 31.60 32.34 1qqb h MET 304 CO 0.07 0.41 -0.47 1.25 1.06 0.00 0.00 176.91 179.23 1qqb h LEU 305 N 0.64 -1.43 -0.59 1.22 5.85 -1.22 -0.41 115.31 119.37 1qqb h LEU 305 Ca 0.18 0.16 0.12 0.00 0.84 0.00 0.00 57.88 59.18 1qqb h LEU 305 Cb -0.05 0.54 -0.12 0.00 0.37 0.00 0.00 40.66 41.41 1qqb h LEU 305 CO -0.05 -0.50 -0.22 0.25 -0.34 0.00 0.00 178.44 177.57 1qqb h LEU 306 N -0.65 -0.78 0.03 2.25 5.85 -1.15 0.21 115.31 121.06 1qqb h LEU 306 Ca 0.03 0.20 0.02 0.00 0.84 0.00 0.00 57.88 58.96 1qqb h LEU 306 Cb 0.70 0.45 -0.05 0.00 0.37 0.00 0.00 40.66 42.13 1qqb h LEU 306 CO -0.31 -0.25 -0.53 -0.78 -0.34 0.00 0.00 178.44 176.23 1qqb h ASP 307 N -0.07 -1.64 -0.97 1.25 3.58 -0.80 1.59 116.42 119.36 1qqb h ASP 307 Ca 0.27 0.18 0.14 0.00 0.42 0.00 0.00 57.03 58.04 1qqb h ASP 307 Cb 0.50 0.62 -0.09 0.00 1.72 0.00 0.00 39.33 42.07 1qqb h ASP 307 CO -0.65 -0.53 0.59 0.03 -2.88 0.00 0.00 179.24 175.80 1qqb h ARG 308 N -0.69 0.85 0.10 0.28 3.08 -0.15 0.52 114.38 118.37 1qqb h ARG 308 Ca 0.01 -0.05 -0.00 0.00 0.07 0.00 0.00 59.98 60.00 1qqb h ARG 308 Cb 0.73 -0.19 0.00 0.00 0.08 0.00 0.00 29.97 30.59 1qqb h ARG 308 CO -0.34 0.56 -0.05 0.82 -1.07 0.00 0.00 179.97 179.89 1qqb h ILE 309 N 0.87 0.00 0.58 2.04 2.04 0.14 -1.70 117.51 121.48 1qqb h ILE 309 Ca 0.51 -0.03 -0.03 0.00 1.00 0.00 0.00 64.86 66.31 1qqb h ILE 309 Cb 0.61 0.00 0.01 0.00 -0.74 0.00 0.00 36.82 36.69 1qqb h ILE 309 CO -0.31 0.00 -0.28 1.62 0.00 0.00 0.00 178.15 179.18 1qqb h VAL 310 N -0.16 0.00 0.00 1.67 3.04 0.25 -2.99 116.25 118.06 1qqb h VAL 310 Ca -0.01 -0.41 0.00 0.00 -1.01 0.00 0.00 66.70 65.26 1qqb h VAL 310 Cb 0.10 0.00 0.00 0.00 -2.01 0.00 0.00 31.29 29.38 1qqb h VAL 310 CO 0.02 0.00 0.00 0.59 -1.01 0.00 0.00 177.57 177.17 1qqb n ASN 311 N -5.25 0.00 -3.56 3.17 3.02 0.18 -4.80 115.26 108.03 1qqb n ASN 311 Ca -0.10 -0.86 -0.24 0.00 -0.03 0.00 0.00 54.58 53.35 1qqb n ASN 311 Cb 0.31 0.00 -0.03 0.00 -0.61 0.00 0.00 39.78 39.45 1qqb n ASN 311 CO 0.00 0.00 0.00 0.29 -2.62 0.00 0.00 177.26 174.93 1qqb n LYS 312 N -0.58 -2.33 -1.21 3.52 5.02 -0.65 -4.87 118.16 117.06 1qqb n LYS 312 Ca 0.02 0.23 -0.34 0.00 -2.02 0.00 0.00 58.31 56.19 1qqb n LYS 312 Cb 0.01 -4.83 0.11 0.00 -0.02 0.00 0.00 35.03 30.30 1qqb n LYS 312 CO 0.00 0.00 0.00 -2.13 -0.52 0.00 0.00 177.40 174.75 1qqb n ARG 313 N -3.52 0.32 -0.02 1.97 0.63 -1.12 -4.94 116.66 110.00 1qqb n ARG 313 Ca 0.04 0.18 -0.02 0.00 -0.92 0.00 0.00 57.85 57.13 1qqb n ARG 313 Cb 0.50 -2.31 -0.02 0.00 0.45 0.00 0.00 32.46 31.07 1qqb n ARG 313 CO 0.00 0.00 0.00 0.39 -2.51 0.00 0.00 177.63 175.51 1qqb n GLU 314 N -2.53 2.63 -2.53 -0.14 -0.58 -1.26 -4.80 120.64 111.43 1qqb n GLU 314 Ca 0.13 0.00 -0.42 0.00 -0.42 0.00 0.00 57.16 56.46 1qqb n GLU 314 Cb 0.50 -1.08 -0.03 0.00 -0.57 0.00 0.00 31.44 30.26 1qqb n GLU 314 CO 0.00 0.00 0.00 -1.21 -0.48 0.00 0.00 177.13 175.44 1qqb s GLU 315 N -2.07 4.52 0.43 3.49 8.01 -1.26 -5.00 118.70 126.82 1qqb s GLU 315 Ca -0.02 1.67 -0.25 0.00 0.01 0.00 0.00 54.97 56.37 1qqb s GLU 315 Cb 0.01 -3.35 -0.08 0.00 -4.31 0.00 0.00 34.13 26.40 1qqb s GLU 315 CO 0.11 -0.08 1.36 -1.25 0.01 0.00 0.00 175.26 175.41 1qqb s PRO 316 N 0.54 3.81 0.36 0.39 0.04 -1.26 -4.98 135.00 133.90 1qqb s PRO 316 Ca 0.54 2.27 0.03 0.00 0.04 0.00 0.00 61.00 63.89 1qqb s PRO 316 Cb -0.27 -2.69 -0.04 0.00 0.04 0.00 0.00 34.50 31.54 1qqb s PRO 316 CO 0.31 -0.66 0.11 -1.14 0.04 0.00 0.00 177.00 175.66 1qqb s GLN 317 N -2.37 1.78 -0.29 4.56 0.74 -1.26 -5.00 119.66 117.82 1qqb s GLN 317 Ca 0.59 -2.04 -0.14 0.00 0.05 0.00 0.00 55.36 53.82 1qqb s GLN 317 Cb -0.41 -0.58 0.12 0.00 1.10 0.00 0.00 33.01 33.24 1qqb s GLN 317 CO 0.52 -0.39 0.78 -1.54 -0.55 0.00 0.00 175.29 174.12 1qqb s SER 318 N -3.52 -0.85 -0.04 6.67 1.04 -1.26 -1.34 113.70 114.40 1qqb s SER 318 Ca 0.30 1.28 0.07 0.00 0.48 0.00 0.00 55.95 58.07 1qqb s SER 318 Cb 0.05 1.62 -0.02 0.00 0.10 0.00 0.00 66.02 67.77 1qqb s SER 318 CO 0.15 -0.19 -0.24 -0.63 0.98 0.00 0.00 173.24 173.30 1qqb s ILE 319 N 2.01 2.16 0.05 -1.02 1.01 -0.35 -4.95 121.20 120.11 1qqb s ILE 319 Ca -0.08 -1.06 -0.05 0.00 0.00 0.00 0.00 60.65 59.47 1qqb s ILE 319 Cb -0.07 -1.76 -0.05 0.00 0.01 0.00 0.00 42.46 40.59 1qqb s ILE 319 CO -0.18 0.58 0.29 -1.61 0.00 0.00 0.00 174.94 174.01 1qqb s GLU 320 N -0.47 3.57 0.26 2.79 2.02 -1.26 0.75 118.70 126.37 1qqb s GLU 320 Ca 0.06 -0.13 0.08 0.00 0.02 0.00 0.00 54.97 55.00 1qqb s GLU 320 Cb -0.11 -3.01 -0.05 0.00 0.10 0.00 0.00 34.13 31.05 1qqb s GLU 320 CO 0.01 0.59 -0.12 0.54 0.02 0.00 0.00 175.26 176.29 1qqb s VAL 321 N -1.43 1.91 -0.06 2.63 0.11 0.18 -4.90 120.40 118.84 1qqb s VAL 321 Ca 0.32 -2.23 0.03 0.00 -2.93 0.00 0.00 61.98 57.18 1qqb s VAL 321 Cb -0.13 -2.28 0.01 0.00 -1.53 0.00 0.00 36.38 32.45 1qqb s VAL 321 CO 0.20 -0.43 -0.14 -1.00 -3.33 0.00 0.00 175.10 170.41 1qqb s HIS 322 N -2.85 1.51 0.80 1.54 0.09 -1.26 -4.14 115.29 110.98 1qqb s HIS 322 Ca 0.27 -0.51 -0.11 0.00 -0.00 0.00 0.00 55.06 54.70 1qqb s HIS 322 Cb 0.00 -1.07 0.07 0.00 -0.00 0.00 0.00 32.58 31.58 1qqb s HIS 322 CO 0.11 -0.24 1.09 -1.25 -0.00 0.00 0.00 174.74 174.46 1qqb s PRO 323 N 0.45 2.04 0.04 8.40 0.04 -1.26 -4.61 135.00 140.10 1qqb s PRO 323 Ca -0.11 0.71 -0.24 0.00 0.04 0.00 0.00 61.00 61.40 1qqb s PRO 323 Cb -0.14 -1.91 0.06 0.00 0.04 0.00 0.00 34.50 32.55 1qqb s PRO 323 CO 0.03 -1.67 0.57 -0.98 0.04 0.00 0.00 177.00 174.99 1qqb s ARG 324 N -5.10 1.07 0.18 4.56 1.70 -0.88 -4.97 118.95 115.51 1qqb s ARG 324 Ca 0.61 -0.15 -0.27 0.00 -0.47 0.00 0.00 55.73 55.45 1qqb s ARG 324 Cb -0.15 0.49 -0.08 0.00 -0.57 0.00 0.00 34.95 34.64 1qqb s ARG 324 CO 0.55 -0.39 0.82 -1.17 -1.08 0.00 0.00 175.30 174.03 1qqb s LEU 325 N -1.89 4.60 -0.23 -1.89 1.98 -1.26 0.10 118.68 120.10 1qqb s LEU 325 Ca -0.06 1.72 0.01 0.00 -2.89 0.00 0.00 54.13 52.91 1qqb s LEU 325 Cb -0.01 -3.38 0.06 0.00 0.66 0.00 0.00 46.19 43.52 1qqb s LEU 325 CO -0.01 0.18 -0.06 -0.63 -1.89 0.00 0.00 176.35 173.95 1qqb s ILE 326 N -1.08 1.50 -0.33 6.68 -1.09 0.67 -4.87 121.20 122.67 1qqb s ILE 326 Ca 0.37 -1.16 -0.27 0.00 -2.23 0.00 0.00 60.65 57.36 1qqb s ILE 326 Cb -0.24 -1.75 0.01 0.00 -1.58 0.00 0.00 42.46 38.91 1qqb s ILE 326 CO 0.28 -0.07 0.99 -1.61 -1.23 0.00 0.00 174.94 173.30 1qqb s GLU 327 N 1.42 3.99 0.00 2.79 2.02 -1.26 -1.63 118.70 126.02 1qqb s GLU 327 Ca -0.05 0.85 0.00 0.00 0.02 0.00 0.00 54.97 55.79 1qqb s GLU 327 Cb -0.18 -3.75 0.00 0.00 0.10 0.00 0.00 34.13 30.29 1qqb s GLU 327 CO -0.06 -0.88 0.00 -2.13 0.02 0.00 0.00 175.26 172.21 1qqb n ARG 328 N 6.74 0.06 -0.20 1.61 3.00 -1.26 -4.96 116.66 121.65 1qqb n ARG 328 Ca 0.09 0.00 0.08 0.00 -0.00 0.00 0.00 57.85 58.02 1qqb n ARG 328 Cb 0.48 0.00 0.11 0.00 0.00 0.00 0.00 32.46 33.05 1qqb n ARG 328 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 177.63 178.17 1qqb n ARG 329 N 0.00 1.03 -0.15 -0.14 1.74 0.23 -4.70 116.66 114.68 1qqb n ARG 329 Ca 0.00 -2.30 0.10 0.00 -0.77 0.00 0.00 57.85 54.89 1qqb n ARG 329 Cb 0.00 -1.29 0.28 0.00 -1.02 0.00 0.00 32.46 30.44 1qqb n ARG 329 CO 0.00 0.00 0.00 -1.13 -1.52 0.00 0.00 177.63 174.98 1qqb n SER 330 N -1.11 2.50 -4.29 0.55 3.41 -1.10 -4.45 113.62 109.13 1qqb n SER 330 Ca 0.13 -1.87 -0.28 0.00 -0.26 0.00 0.00 58.87 56.59 1qqb n SER 330 Cb 0.66 -0.20 -0.15 0.00 -0.26 0.00 0.00 64.21 64.26 1qqb n SER 330 CO 0.00 0.00 0.00 -0.69 -0.16 0.00 0.00 175.04 174.19 1qqb s VAL 331 N -1.60 1.89 0.12 -3.33 1.01 -1.26 -0.24 120.40 116.99 1qqb s VAL 331 Ca 0.35 -1.21 0.04 0.00 0.00 0.00 0.00 61.98 61.16 1qqb s VAL 331 Cb 0.19 -1.61 -0.04 0.00 0.00 0.00 0.00 36.38 34.92 1qqb s VAL 331 CO 0.27 0.36 -0.10 0.00 0.00 0.00 0.00 175.10 175.63 1qqb s ALA 332 N -0.73 1.28 0.72 5.51 0.00 -1.26 -4.95 121.76 122.33 1qqb s ALA 332 Ca 0.09 -1.35 -0.16 0.00 0.00 0.00 0.00 51.96 50.55 1qqb s ALA 332 Cb -0.09 0.04 0.02 0.00 0.00 0.00 0.00 23.12 23.09 1qqb s ALA 332 CO 0.01 -0.07 1.14 -0.25 0.00 0.00 0.00 175.76 176.59 1qqb n ASP 333 N 0.16 1.15 -4.74 0.00 8.00 -1.26 -4.91 116.55 114.95 1qqb n ASP 333 Ca -0.13 0.70 -0.23 0.00 0.71 0.00 0.00 54.79 55.84 1qqb n ASP 333 Cb 0.59 -1.48 -0.06 0.00 -0.02 0.00 0.00 41.12 40.15 1qqb n ASP 333 CO 0.00 0.00 0.00 -0.83 -0.39 0.00 0.00 177.20 175.98 1qqb s GLY 334 N -1.69 2.01 0.47 0.44 0.00 0.34 -4.95 107.32 103.95 1qqb s GLY 334 Ca 0.76 -1.87 0.36 0.00 0.00 0.00 0.00 44.72 43.98 1qqb s GLY 334 CO 0.47 -1.77 1.61 -2.55 0.00 0.00 0.00 173.10 170.85 1qqb h PRO 335 N 1.49 0.04 -0.49 2.90 0.11 -1.79 0.67 132.00 134.93 1qqb h PRO 335 Ca -0.43 -0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.67 1qqb h PRO 335 Cb 1.25 -0.01 0.00 0.00 0.11 0.00 0.00 31.00 32.35 1qqb h PRO 335 CO 0.64 0.02 0.00 1.19 -0.21 0.00 0.00 178.00 179.64 1qqb n PHE 336 N -4.49 0.64 0.03 0.65 3.01 0.36 -4.58 117.46 113.07 1qqb n PHE 336 Ca 0.40 -0.32 -0.15 0.00 1.01 0.00 0.00 57.45 58.38 1qqb n PHE 336 Cb 1.61 0.00 -0.09 0.00 -0.01 0.00 0.00 39.48 40.99 1qqb n PHE 336 CO 0.00 0.00 0.00 -0.09 1.01 0.00 0.00 176.76 177.68 1qqb h ARG 337 N 3.83 -0.59 -0.15 -1.08 2.43 -0.98 -2.00 114.38 115.83 1qqb h ARG 337 Ca 0.00 0.04 0.04 0.00 -0.81 0.00 0.00 59.98 59.25 1qqb h ARG 337 Cb 0.86 0.13 -0.01 0.00 -0.42 0.00 0.00 29.97 30.54 1qqb h ARG 337 CO 0.00 -0.39 0.25 -0.44 -1.51 0.00 0.00 179.97 177.87 1qqb h ASP 338 N -0.61 0.00 -0.59 -3.80 3.32 -1.81 -3.09 116.42 109.83 1qqb h ASP 338 Ca 0.03 0.00 -0.33 0.00 0.02 0.00 0.00 57.03 56.75 1qqb h ASP 338 Cb 0.70 0.00 -0.18 0.00 0.22 0.00 0.00 39.33 40.06 1qqb h ASP 338 CO -0.39 0.00 0.42 -1.22 -1.72 0.00 0.00 179.24 176.33 1qqb n TYR 339 N -3.46 1.85 0.30 4.55 4.02 -0.75 -5.24 117.16 118.43 1qqb n TYR 339 Ca 0.01 -1.51 0.04 0.00 -0.01 0.00 0.00 57.90 56.42 1qqb n TYR 339 Cb 0.35 -0.76 0.03 0.00 -0.02 0.00 0.00 39.34 38.94 1qqb n TYR 339 CO 0.00 0.00 0.00 0.54 -1.01 0.00 0.00 176.86 176.39