#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2qm4 n GLY 0 N 0.00 0.00 2.46 5.00 0.00 -1.26 -2.34 105.19 109.05 2qm4 n GLY 0 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.02 2qm4 n GLY 0 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 2qm4 n GLU 2 N 0.23 0.00 -0.35 1.61 1.02 -1.26 -2.55 120.64 119.34 2qm4 n GLU 2 Ca 0.00 0.00 0.03 0.00 -0.02 0.00 0.00 57.16 57.17 2qm4 n GLU 2 Cb 0.00 0.00 0.20 0.00 -0.02 0.00 0.00 31.44 31.62 2qm4 n GLU 2 CO 0.00 0.00 0.00 0.93 1.18 0.00 0.00 177.13 179.24 2qm4 h GLU 3 N 0.00 1.09 -0.27 3.49 5.08 -1.90 -1.08 114.58 120.99 2qm4 h GLU 3 Ca 0.00 -0.07 -0.00 0.00 -1.00 0.00 0.00 59.36 58.29 2qm4 h GLU 3 Cb 0.00 -0.25 -0.01 0.00 0.50 0.00 0.00 28.75 28.99 2qm4 h GLU 3 CO 0.00 0.72 0.16 -0.07 -1.00 0.00 0.00 179.01 178.82 2qm4 h LEU 4 N 1.12 0.32 -1.01 1.33 3.38 -1.77 -0.51 115.31 118.17 2qm4 h LEU 4 Ca 0.42 -0.06 -0.07 0.00 0.09 0.00 0.00 57.88 58.26 2qm4 h LEU 4 Cb 0.20 -0.08 -0.02 0.00 0.09 0.00 0.00 40.66 40.85 2qm4 h LEU 4 CO -0.17 0.29 -0.09 -0.33 0.09 0.00 0.00 178.44 178.23 2qm4 h GLU 5 N 0.33 0.61 0.71 1.13 4.39 -1.75 -0.89 114.58 119.11 2qm4 h GLU 5 Ca 0.09 -0.18 -0.03 0.00 0.34 0.00 0.00 59.36 59.58 2qm4 h GLU 5 Cb 0.03 -0.07 0.01 0.00 -0.10 0.00 0.00 28.75 28.62 2qm4 h GLU 5 CO -0.02 0.70 -0.34 1.96 -1.16 0.00 0.00 179.01 180.15 2qm4 h GLN 6 N 0.57 -0.91 -1.01 2.33 1.08 -1.14 -3.10 115.11 112.93 2qm4 h GLN 6 Ca 0.11 0.06 0.26 0.00 -1.45 0.00 0.00 58.65 57.63 2qm4 h GLN 6 Cb 0.50 0.21 -0.13 0.00 -0.05 0.00 0.00 27.48 28.01 2qm4 h GLN 6 CO 0.03 -0.61 0.60 0.78 -0.95 0.00 0.00 178.83 178.68 2qm4 h GLY 7 N -1.25 1.87 1.66 3.46 0.00 -1.05 -0.43 103.07 107.33 2qm4 h GLY 7 Ca -0.10 -0.29 -0.01 0.00 0.00 0.00 0.00 47.33 46.93 2qm4 h GLY 7 CO 0.16 -0.27 0.15 -2.00 0.00 0.00 0.00 176.54 174.58 2qm4 h LEU 8 N 0.53 0.40 -0.70 3.11 5.85 -1.17 -3.10 115.31 120.23 2qm4 h LEU 8 Ca 0.66 -0.03 0.00 0.00 0.84 0.00 0.00 57.88 59.35 2qm4 h LEU 8 Cb 1.32 -0.10 0.00 0.00 0.37 0.00 0.00 40.66 42.25 2qm4 h LEU 8 CO -0.48 0.35 0.00 0.18 -0.34 0.00 0.00 178.44 178.15 2qm4 n LEU 9 N -4.43 0.00 -1.34 2.25 4.77 -0.17 -4.84 117.00 113.23 2qm4 n LEU 9 Ca 0.02 0.00 0.00 0.00 -0.03 0.00 0.00 56.01 56.00 2qm4 n LEU 9 Cb 0.12 0.00 0.00 0.00 -2.33 0.00 0.00 43.42 41.21 2qm4 n LEU 9 CO 0.36 0.00 -0.25 0.00 -1.33 0.00 0.00 177.39 176.17 2qm4 n GLN 11 N 0.16 -2.33 -2.21 3.23 1.13 -1.17 -4.80 117.38 111.39 2qm4 n GLN 11 Ca 0.00 1.77 -0.27 0.00 -1.94 0.00 0.00 57.00 56.56 2qm4 n GLN 11 Cb 0.00 -2.34 0.05 0.00 0.11 0.00 0.00 30.24 28.06 2qm4 n GLN 11 CO 0.00 0.00 0.00 -1.25 -1.44 0.00 0.00 177.06 174.37 2qm4 s PRO 12 N -3.95 2.60 0.12 -1.09 0.04 -1.26 -4.97 135.00 126.50 2qm4 s PRO 12 Ca 0.00 -0.00 -0.25 0.00 0.04 0.00 0.00 61.00 60.79 2qm4 s PRO 12 Cb 0.00 -2.17 -0.07 0.00 0.04 0.00 0.00 34.50 32.30 2qm4 s PRO 12 CO 0.00 -1.00 0.77 -1.58 0.04 0.00 0.00 177.00 175.23 2qm4 s TRP 13 N -3.18 3.85 0.11 0.56 0.52 -1.26 -4.50 118.94 115.04 2qm4 s TRP 13 Ca 0.57 1.57 0.08 0.00 0.02 0.00 0.00 56.10 58.34 2qm4 s TRP 13 Cb -0.11 -2.78 -0.04 0.00 -1.15 0.00 0.00 33.47 29.40 2qm4 s TRP 13 CO 0.46 0.44 -0.12 0.00 0.02 0.00 0.00 176.95 177.75 2qm4 s ALA 14 N -0.80 2.88 -0.17 0.98 0.00 0.16 -4.81 121.76 120.00 2qm4 s ALA 14 Ca 0.36 -1.29 -0.20 0.00 0.00 0.00 0.00 51.96 50.83 2qm4 s ALA 14 Cb -0.22 -0.81 -0.03 0.00 0.00 0.00 0.00 23.12 22.05 2qm4 s ALA 14 CO 0.25 0.62 0.60 -0.46 0.00 0.00 0.00 175.76 176.76 2qm4 s TRP 15 N -1.22 3.42 -0.18 0.00 -0.00 -1.26 -1.19 118.94 118.50 2qm4 s TRP 15 Ca 0.21 0.93 -0.07 0.00 -0.00 0.00 0.00 56.10 57.18 2qm4 s TRP 15 Cb -0.11 -2.74 -0.04 0.00 -0.00 0.00 0.00 33.47 30.59 2qm4 s TRP 15 CO 0.13 -0.07 0.04 -0.51 -0.00 0.00 0.00 176.95 176.53 2qm4 s LEU 16 N 1.52 3.66 -0.24 5.86 1.02 -0.15 -4.75 118.68 125.59 2qm4 s LEU 16 Ca 0.29 0.01 -0.18 0.00 0.02 0.00 0.00 54.13 54.27 2qm4 s LEU 16 Cb -0.16 -1.92 -0.03 0.00 0.02 0.00 0.00 46.19 44.10 2qm4 s LEU 16 CO 0.11 0.15 0.50 -1.58 0.02 0.00 0.00 176.35 175.55 2qm4 s GLN 17 N 0.48 4.11 0.51 1.70 2.00 -1.26 -2.45 119.66 124.75 2qm4 s GLN 17 Ca 0.02 0.32 0.07 0.00 -2.00 0.00 0.00 55.36 53.77 2qm4 s GLN 17 Cb -0.13 -3.62 0.03 0.00 0.80 0.00 0.00 33.01 30.09 2qm4 s GLN 17 CO 0.01 -0.27 0.45 -0.51 -0.50 0.00 0.00 175.29 174.47 2qm4 s LEU 18 N 2.04 2.97 0.21 3.68 1.02 -0.20 -4.42 118.68 123.98 2qm4 s LEU 18 Ca 0.21 -1.04 -0.21 0.00 0.02 0.00 0.00 54.13 53.12 2qm4 s LEU 18 Cb -0.15 -1.51 0.16 0.00 0.02 0.00 0.00 46.19 44.70 2qm4 s LEU 18 CO 0.09 -1.00 1.55 0.00 0.02 0.00 0.00 176.35 177.02 2qm4 h ALA 19 N 0.76 -0.02 0.00 4.21 0.00 -1.88 -3.30 119.26 119.03 2qm4 h ALA 19 Ca -0.37 0.23 -0.16 0.00 0.00 0.00 0.00 54.91 54.61 2qm4 h ALA 19 Cb 1.29 1.09 -0.27 0.00 0.00 0.00 0.00 17.79 19.90 2qm4 h ALA 19 CO 0.55 -0.71 -0.70 -0.85 0.00 0.00 0.00 179.25 177.54 2qm4 n GLU 20 N -5.42 0.00 -0.21 0.00 0.00 -1.26 -5.11 120.64 108.64 2qm4 n GLU 20 Ca 0.08 -1.54 0.00 0.00 0.00 0.00 0.00 57.16 55.70 2qm4 n GLU 20 Cb 0.37 0.23 0.00 0.00 0.00 0.00 0.00 31.44 32.03 2qm4 n GLU 20 CO 0.00 0.00 0.00 0.09 0.00 0.00 0.00 177.13 177.22 2qm4 n ASN 21 N 0.27 0.00 -4.18 -1.84 4.13 -1.24 -5.19 115.26 107.20 2qm4 n ASN 21 Ca -0.09 -0.16 -0.11 0.00 1.68 0.00 0.00 54.58 55.90 2qm4 n ASN 21 Cb 0.94 0.00 -0.10 0.00 -1.54 0.00 0.00 39.78 39.08 2qm4 n ASN 21 CO 0.00 0.00 0.00 -0.94 0.28 0.00 0.00 177.26 176.60 2qm4 s SER 22 N 1.25 0.38 0.02 6.41 1.04 -1.26 -1.04 113.70 120.50 2qm4 s SER 22 Ca 0.00 -1.27 0.00 0.00 0.48 0.00 0.00 55.95 55.16 2qm4 s SER 22 Cb 0.00 0.30 -0.02 0.00 0.10 0.00 0.00 66.02 66.41 2qm4 s SER 22 CO 0.00 -0.75 -0.03 -0.76 0.98 0.00 0.00 173.24 172.68 2qm4 s LEU 23 N -3.11 2.19 0.14 2.42 1.43 -1.02 -4.82 118.68 115.90 2qm4 s LEU 23 Ca 0.29 -0.40 -0.26 0.00 -1.03 0.00 0.00 54.13 52.74 2qm4 s LEU 23 Cb 0.07 0.02 -0.07 0.00 0.03 0.00 0.00 46.19 46.24 2qm4 s LEU 23 CO 0.06 -0.22 0.80 -0.76 0.23 0.00 0.00 176.35 176.46 2qm4 s LEU 24 N -1.16 4.56 -0.06 1.79 1.02 0.29 -0.98 118.68 124.14 2qm4 s LEU 24 Ca -0.11 1.63 -0.07 0.00 0.02 0.00 0.00 54.13 55.60 2qm4 s LEU 24 Cb -0.08 -3.32 0.02 0.00 0.02 0.00 0.00 46.19 42.83 2qm4 s LEU 24 CO -0.01 0.15 0.18 0.00 0.02 0.00 0.00 176.35 176.69 2qm4 s ALA 25 N -0.83 -0.44 0.07 4.21 0.00 -0.34 -0.65 121.76 123.78 2qm4 s ALA 25 Ca 0.37 0.41 0.06 0.00 0.00 0.00 0.00 51.96 52.80 2qm4 s ALA 25 Cb -0.23 -0.22 -0.03 0.00 0.00 0.00 0.00 23.12 22.64 2qm4 s ALA 25 CO 0.26 -0.11 -0.16 -1.59 0.00 0.00 0.00 175.76 174.16 2qm4 s LYS 26 N -0.19 0.94 -0.04 0.00 -2.85 -0.36 0.36 119.74 117.60 2qm4 s LYS 26 Ca -0.03 -0.97 -0.12 0.00 -1.00 0.00 0.00 55.97 53.85 2qm4 s LYS 26 Cb -0.03 -1.02 0.02 0.00 -2.06 0.00 0.00 37.83 34.75 2qm4 s LYS 26 CO 0.01 0.24 0.28 0.54 0.10 0.00 0.00 175.35 176.51 2qm4 s VAL 27 N -1.15 0.04 -0.10 1.79 0.11 -1.26 -1.74 120.40 118.09 2qm4 s VAL 27 Ca 0.01 -0.37 -0.02 0.00 -2.93 0.00 0.00 61.98 58.68 2qm4 s VAL 27 Cb -0.10 -0.52 0.04 0.00 -1.53 0.00 0.00 36.38 34.27 2qm4 s VAL 27 CO 0.03 -0.20 0.02 0.12 -3.33 0.00 0.00 175.10 171.73 2qm4 s PHE 28 N -0.88 0.68 -0.11 1.54 5.36 -0.68 -4.91 117.98 118.97 2qm4 s PHE 28 Ca -0.10 -0.30 0.03 0.00 -0.96 0.00 0.00 56.93 55.61 2qm4 s PHE 28 Cb -0.05 -0.83 -0.00 0.00 -0.34 0.00 0.00 43.02 41.81 2qm4 s PHE 28 CO 0.03 -0.39 -0.22 0.42 -1.46 0.00 0.00 175.22 173.60 2qm4 s ILE 29 N 1.97 2.24 0.21 3.12 1.01 -1.26 -1.73 121.20 126.77 2qm4 s ILE 29 Ca 0.04 -0.95 0.01 0.00 0.00 0.00 0.00 60.65 59.74 2qm4 s ILE 29 Cb -0.13 -1.88 -0.00 0.00 0.01 0.00 0.00 42.46 40.46 2qm4 s ILE 29 CO -0.06 0.55 0.02 0.35 0.00 0.00 0.00 174.94 175.80 2qm4 n THR 30 N 3.61 0.00 0.33 2.92 -2.24 -0.40 -5.01 114.28 113.49 2qm4 n THR 30 Ca -0.19 -1.08 0.14 0.00 -2.27 0.00 0.00 64.05 60.65 2qm4 n THR 30 Cb 0.53 0.28 0.61 0.00 -2.10 0.00 0.00 70.33 69.64 2qm4 n THR 30 CO 0.00 0.00 0.00 0.07 -0.57 0.00 0.00 175.07 174.57 2qm4 h LYS 31 N 0.00 0.00 0.00 -0.78 2.10 -1.96 -3.07 116.57 112.86 2qm4 h LYS 31 Ca -0.17 0.00 0.00 0.00 -2.00 0.00 0.00 60.65 58.48 2qm4 h LYS 31 Cb 0.57 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 31.90 2qm4 h LYS 31 CO 0.29 0.00 -0.78 1.04 -2.00 0.00 0.00 179.45 177.99 2qm4 n GLN 32 N -2.53 0.22 -0.34 0.07 1.13 -1.26 -4.61 117.38 110.06 2qm4 n GLN 32 Ca 0.01 0.03 0.00 0.00 -1.94 0.00 0.00 57.00 55.10 2qm4 n GLN 32 Cb 0.22 -1.60 0.00 0.00 0.11 0.00 0.00 30.24 28.97 2qm4 n GLN 32 CO 0.00 0.00 0.00 0.41 -1.44 0.00 0.00 177.06 176.03 2qm4 n GLY 33 N 1.39 0.47 3.18 1.08 0.00 -1.16 -3.31 105.19 106.84 2qm4 n GLY 33 Ca 0.03 -1.47 -0.10 0.00 0.00 0.00 0.00 46.02 44.48 2qm4 n GLY 33 CO 0.00 0.00 0.00 -2.52 0.00 0.00 0.00 173.32 170.80 2qm4 s TYR 34 N -3.68 0.11 -0.03 1.61 -0.85 -0.97 -1.27 117.35 112.26 2qm4 s TYR 34 Ca 0.00 -0.42 0.06 0.00 -0.52 0.00 0.00 57.07 56.19 2qm4 s TYR 34 Cb 0.00 -0.05 -0.01 0.00 0.38 0.00 0.00 41.96 42.27 2qm4 s TYR 34 CO 0.00 -0.47 -0.21 0.00 -1.52 0.00 0.00 175.55 173.35 2qm4 s ALA 35 N -3.08 1.82 -0.01 9.51 0.00 -0.70 -1.23 121.76 128.07 2qm4 s ALA 35 Ca -0.01 -0.90 0.02 0.00 0.00 0.00 0.00 51.96 51.07 2qm4 s ALA 35 Cb 0.01 -0.53 0.00 0.00 0.00 0.00 0.00 23.12 22.60 2qm4 s ALA 35 CO -0.07 0.39 -0.05 -1.17 0.00 0.00 0.00 175.76 174.86 2qm4 s LEU 36 N -0.27 1.90 -0.11 0.00 2.96 0.68 -1.69 118.68 122.15 2qm4 s LEU 36 Ca 0.02 -0.10 0.00 0.00 -0.22 0.00 0.00 54.13 53.84 2qm4 s LEU 36 Cb -0.11 -0.29 0.02 0.00 0.50 0.00 0.00 46.19 46.32 2qm4 s LEU 36 CO 0.01 0.04 -0.10 -0.22 -1.32 0.00 0.00 176.35 174.76 2qm4 s LEU 37 N 0.04 1.41 0.12 -0.68 2.96 -0.71 -1.83 118.68 119.99 2qm4 s LEU 37 Ca 0.00 -0.34 0.11 0.00 -0.22 0.00 0.00 54.13 53.67 2qm4 s LEU 37 Cb -0.04 -0.92 -0.04 0.00 0.50 0.00 0.00 46.19 45.70 2qm4 s LEU 37 CO -0.00 -0.07 -0.27 0.68 -1.32 0.00 0.00 176.35 175.38 2qm4 s VAL 38 N 1.40 2.21 -0.14 1.68 -7.23 0.11 -1.22 120.40 117.21 2qm4 s VAL 38 Ca 0.00 -1.72 -0.10 0.00 -1.81 0.00 0.00 61.98 58.35 2qm4 s VAL 38 Cb -0.13 -1.96 0.04 0.00 0.56 0.00 0.00 36.38 34.89 2qm4 s VAL 38 CO -0.06 0.10 0.36 -0.55 -0.31 0.00 0.00 175.10 174.63 2qm4 s SER 39 N -2.00 -0.40 -0.02 4.85 0.15 0.17 -0.41 113.70 116.05 2qm4 s SER 39 Ca 0.13 0.74 0.18 0.00 0.70 0.00 0.00 55.95 57.70 2qm4 s SER 39 Cb -0.10 0.69 0.56 0.00 -1.71 0.00 0.00 66.02 65.46 2qm4 s SER 39 CO 0.06 -0.15 1.46 -0.90 1.20 0.00 0.00 173.24 174.91 2qm4 n ASP 40 N 3.53 3.49 -0.01 5.45 5.75 -1.15 -0.55 116.55 133.06 2qm4 n ASP 40 Ca -0.18 -2.09 -0.00 0.00 -0.01 0.00 0.00 54.79 52.50 2qm4 n ASP 40 Cb 0.56 -0.44 -0.00 0.00 -1.03 0.00 0.00 41.12 40.21 2qm4 n ASP 40 CO 0.00 0.00 0.00 0.18 -0.11 0.00 0.00 177.20 177.27 2qm4 n LEU 41 N 1.21 0.16 -0.02 -2.12 4.77 -1.26 -4.79 117.00 114.95 2qm4 n LEU 41 Ca 0.21 0.00 -0.05 0.00 -0.03 0.00 0.00 56.01 56.15 2qm4 n LEU 41 Cb 0.58 -0.86 -0.02 0.00 -2.33 0.00 0.00 43.42 40.79 2qm4 n LEU 41 CO 0.16 -0.18 -0.65 0.00 -1.33 0.00 0.00 177.39 175.39 2qm4 n GLN 42 N -2.30 0.09 -4.37 3.23 1.13 -1.26 -5.08 117.38 108.82 2qm4 n GLN 42 Ca -0.00 0.04 -0.20 0.00 -1.94 0.00 0.00 57.00 54.89 2qm4 n GLN 42 Cb 0.09 -0.71 -0.10 0.00 0.11 0.00 0.00 30.24 29.63 2qm4 n GLN 42 CO 0.00 0.00 0.00 -0.65 -1.44 0.00 0.00 177.06 174.97 2qm4 s GLN 43 N -2.08 1.40 -0.08 -1.09 -0.21 -1.26 -5.15 119.66 111.19 2qm4 s GLN 43 Ca -0.06 -1.60 0.04 0.00 0.02 0.00 0.00 55.36 53.76 2qm4 s GLN 43 Cb 0.02 -1.32 0.00 0.00 1.00 0.00 0.00 33.01 32.71 2qm4 s GLN 43 CO 0.08 0.24 -0.22 0.08 -2.12 0.00 0.00 175.29 173.35 2qm4 s VAL 44 N -2.67 1.85 0.19 1.09 1.01 -1.26 -2.95 120.40 117.66 2qm4 s VAL 44 Ca 0.23 -0.91 0.11 0.00 0.00 0.00 0.00 61.98 61.42 2qm4 s VAL 44 Cb -0.03 -1.60 -0.04 0.00 0.00 0.00 0.00 36.38 34.71 2qm4 s VAL 44 CO 0.09 0.51 -0.24 0.26 0.00 0.00 0.00 175.10 175.72 2qm4 s TRP 45 N 0.32 2.27 -0.03 5.22 0.51 0.46 -0.75 118.94 126.94 2qm4 s TRP 45 Ca -0.15 -0.37 -0.03 0.00 -2.12 0.00 0.00 56.10 53.43 2qm4 s TRP 45 Cb -0.17 -1.13 0.01 0.00 -0.81 0.00 0.00 33.47 31.37 2qm4 s TRP 45 CO 0.07 0.49 0.07 -1.58 -0.51 0.00 0.00 176.95 175.49 2qm4 s HIS 46 N -1.68 -0.07 -0.00 -1.98 5.65 -1.26 -0.71 115.29 115.24 2qm4 s HIS 46 Ca 0.20 0.18 -0.01 0.00 0.25 0.00 0.00 55.06 55.68 2qm4 s HIS 46 Cb -0.08 0.02 -0.00 0.00 -1.18 0.00 0.00 32.58 31.34 2qm4 s HIS 46 CO 0.10 -0.05 0.01 -2.00 -0.65 0.00 0.00 174.74 172.15 2qm4 s GLU 47 N -0.03 0.11 -0.04 2.88 2.12 -0.76 -4.48 118.70 118.49 2qm4 s GLU 47 Ca -0.01 -0.15 -0.00 0.00 0.36 0.00 0.00 54.97 55.17 2qm4 s GLU 47 Cb -0.01 0.04 0.03 0.00 0.26 0.00 0.00 34.13 34.45 2qm4 s GLU 47 CO 0.00 -0.02 0.00 -1.14 -0.54 0.00 0.00 175.26 173.56 2qm4 s GLN 48 N -0.41 0.42 0.17 4.30 0.74 -1.26 -0.23 119.66 123.38 2qm4 s GLN 48 Ca -0.05 0.09 0.08 0.00 0.05 0.00 0.00 55.36 55.53 2qm4 s GLN 48 Cb -0.03 -0.67 -0.04 0.00 1.10 0.00 0.00 33.01 33.37 2qm4 s GLN 48 CO -0.00 -0.19 -0.16 0.14 -0.55 0.00 0.00 175.29 174.52 2qm4 s VAL 49 N 1.39 1.71 0.31 1.34 -7.23 -0.37 -5.00 120.40 112.54 2qm4 s VAL 49 Ca -0.04 -1.97 0.03 0.00 -1.81 0.00 0.00 61.98 58.18 2qm4 s VAL 49 Cb -0.13 -1.85 0.03 0.00 0.56 0.00 0.00 36.38 34.99 2qm4 s VAL 49 CO -0.02 -0.42 0.24 -0.90 -0.31 0.00 0.00 175.10 173.68 2qm4 n ASP 50 N 0.13 1.97 0.12 4.85 5.68 -1.26 -2.29 116.55 125.75 2qm4 n ASP 50 Ca -0.12 -2.06 -0.03 0.00 -0.50 0.00 0.00 54.79 52.08 2qm4 n ASP 50 Cb 0.58 -0.03 0.12 0.00 -1.14 0.00 0.00 41.12 40.66 2qm4 n ASP 50 CO 0.00 0.00 0.00 0.71 -1.33 0.00 0.00 177.20 176.58 2qm4 h THR 51 N 0.58 1.46 -0.91 2.12 1.35 -1.89 -2.18 112.91 113.45 2qm4 h THR 51 Ca -0.20 -2.25 0.03 0.00 -0.55 0.00 0.00 66.41 63.45 2qm4 h THR 51 Cb 0.72 2.20 -0.05 0.00 -1.73 0.00 0.00 68.15 69.29 2qm4 h THR 51 CO 0.31 0.65 0.59 0.28 -0.25 0.00 0.00 175.52 177.09 2qm4 h SER 52 N 0.04 0.98 0.03 5.36 0.02 -1.97 -0.75 113.55 117.25 2qm4 h SER 52 Ca -0.01 -0.01 -0.21 0.00 -0.84 0.00 0.00 61.79 60.73 2qm4 h SER 52 Cb 1.19 -0.22 0.00 0.00 0.14 0.00 0.00 62.40 63.51 2qm4 h SER 52 CO 0.09 0.67 -0.76 0.58 -1.14 0.00 0.00 176.83 176.27 2qm4 h VAL 53 N 1.14 1.32 -0.16 2.27 2.07 -1.90 -1.59 116.25 119.40 2qm4 h VAL 53 Ca 0.36 -2.04 0.01 0.00 0.82 0.00 0.00 66.70 65.84 2qm4 h VAL 53 Cb 0.01 2.04 -0.01 0.00 -1.52 0.00 0.00 31.29 31.80 2qm4 h VAL 53 CO -0.12 0.63 0.08 0.58 0.02 0.00 0.00 177.57 178.77 2qm4 h VAL 54 N 0.43 1.00 -0.09 2.57 2.07 -1.18 0.52 116.25 121.57 2qm4 h VAL 54 Ca -0.04 -0.06 -0.20 0.00 0.82 0.00 0.00 66.70 67.22 2qm4 h VAL 54 Cb 1.37 0.81 -0.00 0.00 -1.52 0.00 0.00 31.29 31.95 2qm4 h VAL 54 CO 0.15 0.03 -0.76 0.77 0.02 0.00 0.00 177.57 177.77 2qm4 h SER 55 N 0.18 0.61 0.42 0.57 4.64 -1.07 -0.21 113.55 118.68 2qm4 h SER 55 Ca 0.06 -0.41 -0.01 0.00 -0.47 0.00 0.00 61.79 60.97 2qm4 h SER 55 Cb 0.01 -0.18 -0.02 0.00 -0.31 0.00 0.00 62.40 61.90 2qm4 h SER 55 CO -0.04 1.17 -0.35 -0.61 -0.87 0.00 0.00 176.83 176.12 2qm4 h GLN 56 N 0.34 -0.75 -0.13 4.77 4.15 -1.23 -2.46 115.11 119.80 2qm4 h GLN 56 Ca -0.04 0.05 -0.12 0.00 0.77 0.00 0.00 58.65 59.31 2qm4 h GLN 56 Cb 1.36 0.17 -0.01 0.00 0.21 0.00 0.00 27.48 29.21 2qm4 h GLN 56 CO 0.14 -0.50 -0.43 -0.09 -1.93 0.00 0.00 178.83 176.02 2qm4 h ARG 57 N -0.78 0.32 -0.28 1.69 2.43 -0.84 -1.76 114.38 115.16 2qm4 h ARG 57 Ca -0.04 -0.16 0.04 0.00 -0.81 0.00 0.00 59.98 59.02 2qm4 h ARG 57 Cb 0.68 0.00 -0.04 0.00 -0.42 0.00 0.00 29.97 30.19 2qm4 h ARG 57 CO -0.02 0.70 0.03 0.00 -1.51 0.00 0.00 179.97 179.16 2qm4 h ALA 58 N 1.29 0.27 -0.48 2.80 0.00 -1.04 -1.04 119.26 121.06 2qm4 h ALA 58 Ca 0.02 0.07 0.07 0.00 0.00 0.00 0.00 54.91 55.06 2qm4 h ALA 58 Cb 0.87 0.10 -0.06 0.00 0.00 0.00 0.00 17.79 18.71 2qm4 h ALA 58 CO 0.07 -0.39 0.17 0.87 0.00 0.00 0.00 179.25 179.97 2qm4 h LYS 59 N 0.12 0.33 -0.91 0.00 1.79 -1.20 -0.18 116.57 116.52 2qm4 h LYS 59 Ca 0.13 -0.02 0.04 0.00 -2.18 0.00 0.00 60.65 58.62 2qm4 h LYS 59 Cb 0.16 -0.08 -0.05 0.00 -1.58 0.00 0.00 32.23 30.68 2qm4 h LYS 59 CO -0.20 0.22 0.60 0.93 -1.08 0.00 0.00 179.45 179.92 2qm4 h GLU 60 N 0.34 1.11 0.00 3.15 5.08 -0.75 -3.26 114.58 120.26 2qm4 h GLU 60 Ca 0.23 -0.07 0.00 0.00 -1.00 0.00 0.00 59.36 58.53 2qm4 h GLU 60 Cb 0.24 -0.25 0.00 0.00 0.50 0.00 0.00 28.75 29.24 2qm4 h GLU 60 CO -0.24 0.73 -1.28 1.28 -1.00 0.00 0.00 179.01 178.50 2qm4 n LEU 61 N -4.44 0.60 -3.69 1.33 4.77 -0.45 -4.86 117.00 110.26 2qm4 n LEU 61 Ca 0.12 -0.32 -0.30 0.00 -0.03 0.00 0.00 56.01 55.48 2qm4 n LEU 61 Cb 0.11 0.00 -0.14 0.00 -2.33 0.00 0.00 43.42 41.05 2qm4 n LEU 61 CO 0.35 0.15 -0.31 0.20 -1.33 0.00 0.00 177.39 176.44 2qm4 s ASN 62 N -3.38 3.83 0.10 -1.43 -0.87 -0.10 -4.67 114.94 108.42 2qm4 s ASN 62 Ca 0.02 -1.84 0.26 0.00 -1.57 0.00 0.00 52.86 49.73 2qm4 s ASN 62 Cb 0.14 -0.81 0.63 0.00 -0.02 0.00 0.00 41.25 41.19 2qm4 s ASN 62 CO 0.82 -0.38 1.54 2.29 -2.57 0.00 0.00 177.10 178.80 2qm4 n LYS 63 N 4.57 0.18 0.01 -0.60 2.85 -1.26 -4.24 118.16 119.67 2qm4 n LYS 63 Ca 0.01 0.09 0.11 0.00 -1.05 0.00 0.00 58.31 57.47 2qm4 n LYS 63 Cb 0.40 -1.65 0.09 0.00 -0.65 0.00 0.00 35.03 33.23 2qm4 n LYS 63 CO 0.00 0.00 0.00 0.54 -0.05 0.00 0.00 177.40 177.89 2qm4 n ARG 64 N -1.93 0.07 -3.45 -1.58 1.74 -1.26 -4.96 116.66 105.30 2qm4 n ARG 64 Ca 0.05 0.00 -0.12 0.00 -0.77 0.00 0.00 57.85 57.01 2qm4 n ARG 64 Cb 0.40 -1.52 -0.02 0.00 -1.02 0.00 0.00 32.46 30.29 2qm4 n ARG 64 CO 0.00 0.00 0.00 -0.48 -1.52 0.00 0.00 177.63 175.63 2qm4 s LEU 65 N -3.23 -0.52 0.13 0.55 2.34 -1.26 -5.10 118.68 111.58 2qm4 s LEU 65 Ca 0.08 0.07 0.01 0.00 0.06 0.00 0.00 54.13 54.35 2qm4 s LEU 65 Cb 0.16 2.44 -0.04 0.00 -0.56 0.00 0.00 46.19 48.19 2qm4 s LEU 65 CO 0.77 -0.84 -0.01 0.28 -1.06 0.00 0.00 176.35 175.49 2qm4 s THR 66 N -3.33 0.47 0.00 5.48 -1.32 -1.26 -4.90 115.64 110.79 2qm4 s THR 66 Ca 0.01 -1.93 -0.29 0.00 -1.21 0.00 0.00 61.69 58.27 2qm4 s THR 66 Cb -0.01 -1.90 0.10 0.00 -1.51 0.00 0.00 72.50 69.18 2qm4 s THR 66 CO -0.10 -0.65 1.07 0.00 -2.21 0.00 0.00 174.62 172.73 2qm4 s ALA 67 N -3.78 -1.92 0.72 11.08 0.00 -1.26 -5.14 121.76 121.46 2qm4 s ALA 67 Ca 0.18 0.78 -0.15 0.00 0.00 0.00 0.00 51.96 52.77 2qm4 s ALA 67 Cb 0.06 0.37 0.03 0.00 0.00 0.00 0.00 23.12 23.59 2qm4 s ALA 67 CO -0.01 -0.87 1.22 -2.14 0.00 0.00 0.00 175.76 173.97 2qm4 s PRO 68 N -2.87 2.18 0.33 0.00 0.02 -1.26 -4.88 135.00 128.52 2qm4 s PRO 68 Ca 0.10 1.81 0.04 0.00 0.02 0.00 0.00 61.00 62.97 2qm4 s PRO 68 Cb 0.00 -1.83 0.64 0.00 0.02 0.00 0.00 34.50 33.33 2qm4 s PRO 68 CO -0.04 -1.81 1.92 -1.00 -0.33 0.00 0.00 177.00 175.74 2qm4 h PRO 69 N -0.18 0.86 -0.54 5.54 0.13 -1.94 -2.40 132.00 133.48 2qm4 h PRO 69 Ca -0.48 -0.05 0.05 0.00 -0.87 0.00 0.00 66.00 64.64 2qm4 h PRO 69 Cb 1.30 -0.19 -0.03 0.00 0.13 0.00 0.00 31.00 32.21 2qm4 h PRO 69 CO 0.50 0.57 0.36 0.00 -0.23 0.00 0.00 178.00 179.20 2qm4 h ALA 70 N 1.56 1.81 -0.19 -0.56 0.00 -1.91 -1.29 119.26 118.67 2qm4 h ALA 70 Ca 0.38 -0.02 -0.14 0.00 0.00 0.00 0.00 54.91 55.12 2qm4 h ALA 70 Cb 0.30 -0.15 0.00 0.00 0.00 0.00 0.00 17.79 17.95 2qm4 h ALA 70 CO -0.14 0.12 -0.44 0.00 0.00 0.00 0.00 179.25 178.79 2qm4 h ALA 71 N 1.70 0.31 -0.95 0.00 0.00 -1.79 -0.08 119.26 118.46 2qm4 h ALA 71 Ca 0.23 -0.47 -0.01 0.00 0.00 0.00 0.00 54.91 54.66 2qm4 h ALA 71 Cb 0.20 -0.05 -0.05 0.00 0.00 0.00 0.00 17.79 17.90 2qm4 h ALA 71 CO -0.06 0.44 0.57 0.74 0.00 0.00 0.00 179.25 180.94 2qm4 h PHE 72 N 0.32 1.25 -0.76 0.00 0.04 -1.42 -1.55 116.94 114.82 2qm4 h PHE 72 Ca 0.00 -0.01 -0.05 0.00 2.80 0.00 0.00 57.97 60.72 2qm4 h PHE 72 Cb 1.04 -0.41 -0.03 0.00 2.20 0.00 0.00 35.95 38.75 2qm4 h PHE 72 CO 0.09 0.83 0.29 -0.07 -0.60 0.00 0.00 178.31 178.85 2qm4 h LEU 73 N 1.31 1.07 -0.69 1.54 3.38 -1.03 -0.99 115.31 119.89 2qm4 h LEU 73 Ca 0.34 -0.18 -0.03 0.00 0.09 0.00 0.00 57.88 58.10 2qm4 h LEU 73 Cb -0.05 -0.28 -0.03 0.00 0.09 0.00 0.00 40.66 40.39 2qm4 h LEU 73 CO -0.06 0.96 0.32 0.00 0.09 0.00 0.00 178.44 179.74 2qm4 h HIS 75 N 0.97 0.72 -0.63 0.00 -0.00 -1.05 -1.48 115.15 113.69 2qm4 h HIS 75 Ca 0.24 -0.13 0.07 0.00 -0.00 0.00 0.00 60.37 60.54 2qm4 h HIS 75 Cb 0.15 -0.19 -0.06 0.00 -0.00 0.00 0.00 27.41 27.31 2qm4 h HIS 75 CO 0.01 0.77 0.31 -0.07 -0.00 0.00 0.00 177.93 178.95 2qm4 h LEU 76 N 0.47 0.42 -0.84 0.26 3.38 -1.15 -0.78 115.31 117.06 2qm4 h LEU 76 Ca 0.10 0.05 0.08 0.00 0.09 0.00 0.00 57.88 58.20 2qm4 h LEU 76 Cb 0.49 -0.03 -0.07 0.00 0.09 0.00 0.00 40.66 41.15 2qm4 h LEU 76 CO 0.02 0.26 0.50 -0.78 0.09 0.00 0.00 178.44 178.53 2qm4 h ASP 77 N 0.56 0.75 -0.52 -0.43 3.58 -1.29 -1.09 116.42 117.98 2qm4 h ASP 77 Ca 0.30 0.04 -0.10 0.00 0.42 0.00 0.00 57.03 57.68 2qm4 h ASP 77 Cb 0.26 -0.11 -0.02 0.00 1.72 0.00 0.00 39.33 41.18 2qm4 h ASP 77 CO -0.22 0.44 -0.06 0.78 -2.88 0.00 0.00 179.24 177.30 2qm4 h ASN 78 N 0.86 0.95 0.21 2.28 2.35 -0.13 -0.16 115.58 121.94 2qm4 h ASN 78 Ca 0.39 -0.33 -0.19 0.00 -0.55 0.00 0.00 56.30 55.62 2qm4 h ASN 78 Cb 0.30 -0.26 -0.00 0.00 0.05 0.00 0.00 38.32 38.41 2qm4 h ASN 78 CO -0.22 1.06 -0.76 0.17 -1.65 0.00 0.00 177.43 176.02 2qm4 h LEU 79 N 0.83 0.55 0.04 1.61 -0.00 -1.11 -3.39 115.31 113.85 2qm4 h LEU 79 Ca 0.14 -0.37 -0.08 0.00 -0.00 0.00 0.00 57.88 57.57 2qm4 h LEU 79 Cb 0.60 -0.16 0.01 0.00 -0.00 0.00 0.00 40.66 41.11 2qm4 h LEU 79 CO 0.04 1.13 -0.32 -0.07 -0.00 0.00 0.00 178.44 179.21 2qm4 h LEU 80 N 0.31 0.21 0.03 0.17 3.38 -1.12 -3.40 115.31 114.89 2qm4 h LEU 80 Ca -0.04 -0.92 0.00 0.00 0.09 0.00 0.00 57.88 57.01 2qm4 h LEU 80 Cb 1.35 -0.07 -0.02 0.00 0.09 0.00 0.00 40.66 42.02 2qm4 h LEU 80 CO 0.14 1.11 -0.17 0.03 0.09 0.00 0.00 178.44 179.64 2qm4 h ARG 81 N -0.66 -0.23 0.00 1.13 3.08 -1.22 -3.39 114.38 113.09 2qm4 h ARG 81 Ca -0.05 0.02 -0.06 0.00 0.07 0.00 0.00 59.98 59.95 2qm4 h ARG 81 Cb 1.20 0.05 -0.01 0.00 0.08 0.00 0.00 29.97 31.29 2qm4 h ARG 81 CO 0.06 -0.15 -0.35 -1.00 -1.07 0.00 0.00 179.97 177.46 2qm4 h PRO 82 N -0.24 0.00 -4.43 0.04 0.13 -1.79 -3.41 132.00 122.30 2qm4 h PRO 82 Ca -0.00 0.00 -0.71 0.00 -0.87 0.00 0.00 66.00 64.42 2qm4 h PRO 82 Cb 0.24 0.00 -0.32 0.00 0.13 0.00 0.00 31.00 31.05 2qm4 h PRO 82 CO -0.10 0.95 -0.50 -0.51 -0.23 0.00 0.00 178.00 177.61 2qm4 s LEU 83 N -8.14 5.34 0.00 1.56 1.43 -1.26 -5.17 118.68 112.44 2qm4 s LEU 83 Ca -0.21 -1.93 0.00 0.00 -1.03 0.00 0.00 54.13 50.96 2qm4 s LEU 83 Cb -0.00 -1.89 0.00 0.00 0.03 0.00 0.00 46.19 44.32 2qm4 s LEU 83 CO 0.63 -0.58 0.00 0.18 0.23 0.00 0.00 176.35 176.81 2qm4 n LEU 84 N 4.71 0.00 0.00 1.79 4.77 -1.26 -4.74 117.00 122.27 2qm4 n LEU 84 Ca -0.05 0.00 0.00 0.00 -0.03 0.00 0.00 56.01 55.93 2qm4 n LEU 84 Cb 0.41 0.00 0.00 0.00 -2.33 0.00 0.00 43.42 41.50 2qm4 n LEU 84 CO 0.36 0.00 0.00 -0.24 -1.33 0.00 0.00 177.39 176.18 2qm4 n SER 91 N 0.00 0.00 0.00 -1.43 2.88 -1.26 -4.57 113.62 109.24 2qm4 n SER 91 Ca 0.00 0.00 0.00 0.00 -1.33 0.00 0.00 58.87 57.54 2qm4 n SER 91 Cb 0.00 0.00 0.00 0.00 -0.75 0.00 0.00 64.21 63.46 2qm4 n SER 91 CO 0.00 0.00 0.00 -1.84 -1.23 0.00 0.00 175.04 171.97 2qm4 n GLU 92 N 0.00 -1.06 -4.18 -1.46 0.00 -1.26 -4.94 120.64 107.74 2qm4 n GLU 92 Ca 0.00 0.06 -0.30 0.00 0.00 0.00 0.00 57.16 56.92 2qm4 n GLU 92 Cb 0.00 -2.46 -0.09 0.00 0.00 0.00 0.00 31.44 28.89 2qm4 n GLU 92 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.13 177.13 2qm4 s ALA 93 N -0.22 3.11 -0.14 -1.84 0.00 -1.26 -4.49 121.76 116.91 2qm4 s ALA 93 Ca 0.00 -1.19 -0.02 0.00 0.00 0.00 0.00 51.96 50.76 2qm4 s ALA 93 Cb 0.00 -1.03 -0.02 0.00 0.00 0.00 0.00 23.12 22.07 2qm4 s ALA 93 CO 0.00 0.67 -0.09 0.99 0.00 0.00 0.00 175.76 177.33 2qm4 s THR 94 N -1.26 3.37 0.02 0.00 2.01 0.19 -4.97 115.64 114.99 2qm4 s THR 94 Ca 0.23 -0.54 0.03 0.00 0.31 0.00 0.00 61.69 61.72 2qm4 s THR 94 Cb -0.11 -2.45 -0.04 0.00 0.01 0.00 0.00 72.50 69.91 2qm4 s THR 94 CO 0.16 0.51 -0.02 -0.36 -0.69 0.00 0.00 174.62 174.22 2qm4 s PHE 95 N 0.43 3.01 0.10 4.92 0.40 -1.26 -1.63 117.98 123.95 2qm4 s PHE 95 Ca -0.07 0.03 -0.12 0.00 -0.60 0.00 0.00 56.93 56.17 2qm4 s PHE 95 Cb -0.15 -1.62 0.01 0.00 0.51 0.00 0.00 43.02 41.77 2qm4 s PHE 95 CO 0.04 0.45 0.27 -1.54 0.70 0.00 0.00 175.22 175.14 2qm4 s SER 96 N -1.70 -0.02 0.04 1.36 1.04 -0.33 -2.51 113.70 111.58 2qm4 s SER 96 Ca 0.20 -0.52 -0.08 0.00 0.48 0.00 0.00 55.95 56.03 2qm4 s SER 96 Cb -0.11 0.39 -0.00 0.00 0.10 0.00 0.00 66.02 66.40 2qm4 s SER 96 CO 0.11 -0.78 0.16 0.00 0.98 0.00 0.00 173.24 173.71 2qm4 s ASP 98 N -2.08 1.05 -0.10 0.00 1.47 -0.86 -4.98 116.67 111.17 2qm4 s ASP 98 Ca -0.05 -1.17 0.03 0.00 1.18 0.00 0.00 52.55 52.53 2qm4 s ASP 98 Cb -0.01 0.15 0.01 0.00 -0.34 0.00 0.00 42.92 42.72 2qm4 s ASP 98 CO -0.04 -0.59 -0.18 0.00 0.68 0.00 0.00 175.17 175.03 2qm4 s VAL 100 N 0.65 2.07 0.00 0.00 1.01 -0.99 -5.01 120.40 118.14 2qm4 s VAL 100 Ca -0.13 -1.74 0.00 0.00 0.00 0.00 0.00 61.98 60.10 2qm4 s VAL 100 Cb -0.16 -2.29 0.00 0.00 0.00 0.00 0.00 36.38 33.92 2qm4 s VAL 100 CO 0.04 -0.19 0.00 0.00 0.00 0.00 0.00 175.10 174.94 2qm4 n ALA 101 N 4.43 0.00 -0.96 5.51 0.00 -1.26 -1.81 120.51 126.43 2qm4 n ALA 101 Ca -0.09 0.00 0.07 0.00 0.00 0.00 0.00 53.44 53.41 2qm4 n ALA 101 Cb 0.42 0.00 0.35 0.00 0.00 0.00 0.00 19.45 20.22 2qm4 n ALA 101 CO 0.00 0.00 0.00 -0.40 0.00 0.00 0.00 177.50 177.10 2qm4 n ASP 102 N 10.10 5.02 -4.67 0.00 5.75 -1.26 -4.95 116.55 126.54 2qm4 n ASP 102 Ca 0.00 -3.00 -0.32 0.00 -0.01 0.00 0.00 54.79 51.46 2qm4 n ASP 102 Cb 0.00 -0.64 -0.09 0.00 -1.03 0.00 0.00 41.12 39.36 2qm4 n ASP 102 CO 0.00 0.00 0.00 0.00 -0.11 0.00 0.00 177.20 177.09 2qm4 s ALA 103 N -2.82 3.24 -0.11 2.12 0.00 -0.75 -1.61 121.76 121.82 2qm4 s ALA 103 Ca 0.50 -0.98 0.02 0.00 0.00 0.00 0.00 51.96 51.50 2qm4 s ALA 103 Cb 0.39 -1.29 0.02 0.00 0.00 0.00 0.00 23.12 22.24 2qm4 s ALA 103 CO 0.13 0.65 -0.15 -1.17 0.00 0.00 0.00 175.76 175.22 2qm4 s LEU 104 N -1.60 1.72 -0.33 0.00 0.20 0.52 -2.34 118.68 116.86 2qm4 s LEU 104 Ca 0.20 -0.43 -0.10 0.00 0.69 0.00 0.00 54.13 54.48 2qm4 s LEU 104 Cb -0.11 -1.10 0.00 0.00 -0.43 0.00 0.00 46.19 44.55 2qm4 s LEU 104 CO 0.10 0.01 0.17 -0.63 -0.29 0.00 0.00 176.35 175.71 2qm4 s ILE 105 N 1.03 4.61 -0.38 6.68 1.01 -0.09 -1.12 121.20 132.94 2qm4 s ILE 105 Ca -0.06 -0.53 -0.16 0.00 0.00 0.00 0.00 60.65 59.90 2qm4 s ILE 105 Cb -0.15 -3.41 0.00 0.00 0.01 0.00 0.00 42.46 38.92 2qm4 s ILE 105 CO -0.02 -0.01 0.41 -0.22 0.00 0.00 0.00 174.94 175.09 2qm4 s LEU 106 N 1.60 4.61 -0.16 2.97 2.96 -0.58 -2.04 118.68 128.05 2qm4 s LEU 106 Ca 0.04 -0.40 -0.09 0.00 -0.22 0.00 0.00 54.13 53.46 2qm4 s LEU 106 Cb -0.18 -2.39 -0.05 0.00 0.50 0.00 0.00 46.19 44.08 2qm4 s LEU 106 CO 0.06 -0.46 0.14 -0.13 -1.32 0.00 0.00 176.35 174.65 2qm4 s ARG 107 N 2.11 3.82 -0.02 1.98 0.52 0.28 -0.42 118.95 127.22 2qm4 s ARG 107 Ca 0.13 -0.16 0.03 0.00 -0.52 0.00 0.00 55.73 55.21 2qm4 s ARG 107 Cb -0.17 -3.31 -0.00 0.00 0.52 0.00 0.00 34.95 31.99 2qm4 s ARG 107 CO 0.13 0.54 -0.12 0.54 0.02 0.00 0.00 175.30 176.40 2qm4 s VAL 108 N -0.33 0.99 0.03 3.52 0.11 -0.31 -1.19 120.40 123.22 2qm4 s VAL 108 Ca 0.12 -0.50 0.05 0.00 -2.93 0.00 0.00 61.98 58.72 2qm4 s VAL 108 Cb -0.12 -0.85 -0.02 0.00 -1.53 0.00 0.00 36.38 33.86 2qm4 s VAL 108 CO 0.01 0.29 -0.16 0.00 -3.33 0.00 0.00 175.10 171.92 2qm4 s ARG 109 N -0.04 1.06 0.00 1.54 1.70 -0.65 -1.67 118.95 120.90 2qm4 s ARG 109 Ca 0.00 -0.77 0.00 0.00 -0.47 0.00 0.00 55.73 54.49 2qm4 s ARG 109 Cb -0.08 -1.09 0.00 0.00 -0.57 0.00 0.00 34.95 33.22 2qm4 s ARG 109 CO 0.00 0.27 0.00 -1.13 -1.08 0.00 0.00 175.30 173.37 2qm4 n SER 110 N 1.99 0.00 -4.28 -2.89 3.41 -0.20 -0.64 113.62 111.01 2qm4 n SER 110 Ca -0.17 0.00 -0.24 0.00 -0.26 0.00 0.00 58.87 58.20 2qm4 n SER 110 Cb 0.54 0.00 -0.13 0.00 -0.26 0.00 0.00 64.21 64.37 2qm4 n SER 110 CO 0.00 0.00 0.00 -1.83 -0.16 0.00 0.00 175.04 173.05 2qm4 s GLU 111 N 1.32 1.14 -0.08 4.33 -1.05 -1.26 0.02 118.70 123.12 2qm4 s GLU 111 Ca 0.00 -1.14 -0.04 0.00 -0.15 0.00 0.00 54.97 53.65 2qm4 s GLU 111 Cb 0.00 -1.39 0.04 0.00 -0.44 0.00 0.00 34.13 32.34 2qm4 s GLU 111 CO 0.00 0.33 0.18 -1.17 0.95 0.00 0.00 175.26 175.55 2qm4 s LEU 112 N -1.84 0.52 -1.62 1.83 2.96 -0.55 -4.84 118.68 115.14 2qm4 s LEU 112 Ca 0.06 0.38 0.00 0.00 -0.22 0.00 0.00 54.13 54.35 2qm4 s LEU 112 Cb -0.10 0.48 0.00 0.00 0.50 0.00 0.00 46.19 47.07 2qm4 s LEU 112 CO 0.04 -0.17 0.00 -1.20 -1.32 0.00 0.00 176.35 173.70 2qm4 n SER 113 N 4.36 -5.13 -0.85 3.68 7.64 -1.26 -1.17 113.62 120.89 2qm4 n SER 113 Ca -0.24 0.13 -0.10 0.00 1.01 0.00 0.00 58.87 59.68 2qm4 n SER 113 Cb 0.52 -4.20 -0.03 0.00 -1.01 0.00 0.00 64.21 59.48 2qm4 n SER 113 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 2qm4 n GLY 114 N -0.95 0.88 3.40 0.23 0.00 -1.26 -5.04 105.19 102.44 2qm4 n GLY 114 Ca -0.20 -0.55 -0.25 0.00 0.00 0.00 0.00 46.02 45.02 2qm4 n GLY 114 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 2qm4 s LEU 115 N -2.42 2.44 0.42 0.99 1.43 -0.31 -5.11 118.68 116.12 2qm4 s LEU 115 Ca 0.00 -0.87 -0.26 0.00 -1.03 0.00 0.00 54.13 51.97 2qm4 s LEU 115 Cb 0.00 -1.06 -0.10 0.00 0.03 0.00 0.00 46.19 45.06 2qm4 s LEU 115 CO 0.00 0.07 1.33 -2.65 0.23 0.00 0.00 176.35 175.33 2qm4 n PRO 116 N 0.24 2.06 -4.26 1.29 -0.02 -1.26 -1.49 135.00 131.56 2qm4 n PRO 116 Ca -0.12 0.73 -0.17 0.00 -2.02 0.00 0.00 63.50 61.92 2qm4 n PRO 116 Cb 0.56 -2.46 -0.14 0.00 -0.02 0.00 0.00 33.50 31.44 2qm4 n PRO 116 CO 0.00 0.00 0.00 0.12 1.98 0.00 0.00 175.50 177.60 2qm4 s PHE 117 N -1.19 0.65 -0.04 6.00 5.36 0.10 -4.68 117.98 124.19 2qm4 s PHE 117 Ca 0.60 -0.14 0.02 0.00 -0.96 0.00 0.00 56.93 56.45 2qm4 s PHE 117 Cb -0.49 -0.42 0.01 0.00 -0.34 0.00 0.00 43.02 41.78 2qm4 s PHE 117 CO 0.58 -0.01 -0.07 0.71 -1.46 0.00 0.00 175.22 174.97 2qm4 s TYR 118 N -0.23 0.88 0.00 10.12 2.02 -1.26 -1.04 117.35 127.85 2qm4 s TYR 118 Ca 0.02 -0.25 0.01 0.00 -0.37 0.00 0.00 57.07 56.49 2qm4 s TYR 118 Cb -0.03 -0.69 -0.00 0.00 -0.40 0.00 0.00 41.96 40.84 2qm4 s TYR 118 CO -0.00 -0.15 -0.03 -0.46 -1.57 0.00 0.00 175.55 173.33 2qm4 s TRP 119 N 0.55 0.27 -0.09 2.71 -0.11 -0.67 -4.76 118.94 116.84 2qm4 s TRP 119 Ca -0.08 -0.11 0.03 0.00 1.22 0.00 0.00 56.10 57.16 2qm4 s TRP 119 Cb -0.12 -0.17 0.01 0.00 -1.50 0.00 0.00 33.47 31.69 2qm4 s TRP 119 CO 0.01 -0.02 -0.18 -0.80 -4.62 0.00 0.00 176.95 171.33 2qm4 s ASN 120 N -0.26 2.50 -0.30 5.86 0.01 -1.26 -1.16 114.94 120.33 2qm4 s ASN 120 Ca -0.01 -0.44 -0.20 0.00 -0.71 0.00 0.00 52.86 51.50 2qm4 s ASN 120 Cb -0.02 -1.15 -0.01 0.00 0.41 0.00 0.00 41.25 40.48 2qm4 s ASN 120 CO -0.00 0.09 0.62 -0.36 -1.51 0.00 0.00 177.10 175.94 2qm4 s PHE 121 N 0.57 3.22 -0.91 2.20 0.40 0.44 -4.95 117.98 118.95 2qm4 s PHE 121 Ca -0.15 0.59 -0.15 0.00 -0.60 0.00 0.00 56.93 56.62 2qm4 s PHE 121 Cb -0.17 -2.97 0.19 0.00 0.51 0.00 0.00 43.02 40.59 2qm4 s PHE 121 CO 0.05 -0.46 0.96 -1.01 0.70 0.00 0.00 175.22 175.47 2qm4 s HIS 122 N 2.59 3.58 0.35 0.36 3.76 -1.26 -1.53 115.29 123.13 2qm4 s HIS 122 Ca 0.25 -1.87 0.00 0.00 -0.15 0.00 0.00 55.06 53.29 2qm4 s HIS 122 Cb -0.15 -4.01 0.07 0.00 1.11 0.00 0.00 32.58 29.60 2qm4 s HIS 122 CO 0.11 -1.18 0.48 0.00 -0.85 0.00 0.00 174.74 173.30 2qm4 s LEU 125 N 0.00 4.26 0.48 0.00 2.96 -0.64 -0.35 118.68 125.40 2qm4 s LEU 125 Ca 0.32 1.15 -0.21 0.00 -0.22 0.00 0.00 54.13 55.17 2qm4 s LEU 125 Cb -0.02 -3.10 -0.08 0.00 0.50 0.00 0.00 46.19 43.49 2qm4 s LEU 125 CO 0.21 -0.20 1.08 0.00 -1.32 0.00 0.00 176.35 176.12 2qm4 s ALA 126 N 1.25 2.88 0.53 5.97 0.00 0.07 -4.73 121.76 127.73 2qm4 s ALA 126 Ca 0.37 0.73 -0.22 0.00 0.00 0.00 0.00 51.96 52.84 2qm4 s ALA 126 Cb -0.17 -3.30 -0.05 0.00 0.00 0.00 0.00 23.12 19.59 2qm4 s ALA 126 CO 0.16 -0.46 1.26 -1.54 0.00 0.00 0.00 175.76 175.18 2qm4 s SER 127 N -1.77 5.55 0.32 0.00 1.04 -1.26 -4.84 113.70 112.74 2qm4 s SER 127 Ca 0.67 2.54 0.09 0.00 0.48 0.00 0.00 55.95 59.73 2qm4 s SER 127 Cb -0.21 -2.62 0.95 0.00 0.10 0.00 0.00 66.02 64.25 2qm4 s SER 127 CO 0.25 -1.36 1.63 -0.65 0.98 0.00 0.00 173.24 174.09 2qm4 h PRO 128 N 1.54 0.17 -0.56 4.02 0.11 -1.99 -1.76 132.00 133.53 2qm4 h PRO 128 Ca -0.50 -0.01 -0.00 0.00 0.11 0.00 0.00 66.00 65.60 2qm4 h PRO 128 Cb 1.28 -0.04 -0.03 0.00 0.11 0.00 0.00 31.00 32.33 2qm4 h PRO 128 CO 0.58 0.11 0.35 0.77 -0.21 0.00 0.00 178.00 179.59 2qm4 h SER 129 N 0.17 0.66 -0.51 -2.05 0.02 -1.99 -0.14 113.55 109.72 2qm4 h SER 129 Ca 0.67 -0.05 -0.05 0.00 -0.84 0.00 0.00 61.79 61.52 2qm4 h SER 129 Cb 1.52 -0.17 -0.03 0.00 0.14 0.00 0.00 62.40 63.86 2qm4 h SER 129 CO -0.71 0.52 0.13 -0.07 -1.14 0.00 0.00 176.83 175.56 2qm4 h LEU 130 N 0.75 0.81 -0.43 5.07 3.38 -1.72 0.34 115.31 123.50 2qm4 h LEU 130 Ca 0.20 -0.15 -0.09 0.00 0.09 0.00 0.00 57.88 57.94 2qm4 h LEU 130 Cb -0.03 -0.21 -0.01 0.00 0.09 0.00 0.00 40.66 40.49 2qm4 h LEU 130 CO -0.04 0.79 -0.06 0.58 0.09 0.00 0.00 178.44 179.80 2qm4 h VAL 131 N 0.83 1.27 -0.18 1.22 2.07 -0.80 0.13 116.25 120.78 2qm4 h VAL 131 Ca 0.18 -1.15 -0.16 0.00 0.82 0.00 0.00 66.70 66.39 2qm4 h VAL 131 Cb 0.30 1.13 -0.01 0.00 -1.52 0.00 0.00 31.29 31.20 2qm4 h VAL 131 CO -0.00 0.39 -0.56 0.77 0.02 0.00 0.00 177.57 178.19 2qm4 h SER 132 N 0.64 0.63 -0.32 0.57 4.64 -0.92 -1.21 113.55 117.59 2qm4 h SER 132 Ca 0.11 -0.34 -0.14 0.00 -0.47 0.00 0.00 61.79 60.95 2qm4 h SER 132 Cb 0.58 -0.18 -0.00 0.00 -0.31 0.00 0.00 62.40 62.49 2qm4 h SER 132 CO 0.03 1.06 -0.34 -0.61 -0.87 0.00 0.00 176.83 176.11 2qm4 h GLN 133 N 0.43 0.79 0.00 4.77 4.15 -0.75 0.11 115.11 124.61 2qm4 h GLN 133 Ca 0.01 -0.42 0.00 0.00 0.77 0.00 0.00 58.65 59.00 2qm4 h GLN 133 Cb 1.11 0.02 0.00 0.00 0.21 0.00 0.00 27.48 28.82 2qm4 h GLN 133 CO 0.11 1.05 -1.31 0.72 -1.93 0.00 0.00 178.83 177.47 2qm4 n HIS 134 N -4.18 0.21 0.10 3.99 8.25 0.44 -4.50 115.22 119.52 2qm4 n HIS 134 Ca -0.03 0.06 0.00 0.00 -0.26 0.00 0.00 57.72 57.49 2qm4 n HIS 134 Cb 0.51 -0.44 0.00 0.00 1.12 0.00 0.00 29.99 31.18 2qm4 n HIS 134 CO 0.00 0.00 0.00 1.28 0.64 0.00 0.00 176.34 178.26 2qm4 n LEU 135 N -2.05 0.37 0.41 2.41 4.77 -0.53 -4.79 117.00 117.60 2qm4 n LEU 135 Ca 0.00 0.33 -0.18 0.00 -0.03 0.00 0.00 56.01 56.13 2qm4 n LEU 135 Cb 0.47 0.09 -0.09 0.00 -2.33 0.00 0.00 43.42 41.56 2qm4 n LEU 135 CO 0.42 -0.76 0.56 0.40 -1.33 0.00 0.00 177.39 176.69 2qm4 h ILE 136 N 0.00 0.20 0.06 -0.08 2.04 -1.29 -1.08 117.51 117.36 2qm4 h ILE 136 Ca 0.00 -0.09 -0.00 0.00 1.00 0.00 0.00 64.86 65.77 2qm4 h ILE 136 Cb 0.02 0.22 0.00 0.00 -0.74 0.00 0.00 36.82 36.31 2qm4 h ILE 136 CO 0.00 0.01 -0.03 0.03 0.00 0.00 0.00 178.15 178.16 2qm4 h ARG 137 N -1.11 -0.08 -0.16 2.37 3.08 -1.06 -3.18 114.38 114.25 2qm4 h ARG 137 Ca -0.11 0.01 0.04 0.00 0.07 0.00 0.00 59.98 59.99 2qm4 h ARG 137 Cb 0.81 0.02 -0.05 0.00 0.08 0.00 0.00 29.97 30.83 2qm4 h ARG 137 CO 0.17 0.07 -0.12 -1.35 -1.07 0.00 0.00 179.97 177.67 2qm4 h PRO 138 N -0.22 -0.13 -0.85 0.04 0.10 -1.75 -1.19 132.00 128.00 2qm4 h PRO 138 Ca -0.01 0.01 0.00 0.00 0.10 0.00 0.00 66.00 66.10 2qm4 h PRO 138 Cb 0.19 0.03 0.00 0.00 0.10 0.00 0.00 31.00 31.32 2qm4 h PRO 138 CO 0.01 -0.09 0.00 1.28 0.10 0.00 0.00 178.00 179.31 2qm4 n LEU 139 N -5.27 0.00 -0.64 2.35 4.77 -0.41 -4.65 117.00 113.14 2qm4 n LEU 139 Ca -0.03 0.00 0.00 0.00 -0.03 0.00 0.00 56.01 55.95 2qm4 n LEU 139 Cb 0.19 0.00 0.00 0.00 -2.33 0.00 0.00 43.42 41.28 2qm4 n LEU 139 CO 0.22 0.00 0.00 0.61 -1.33 0.00 0.00 177.39 176.89 2qm4 n GLY 141 N 0.61 -0.04 0.00 -0.72 0.00 -0.45 -4.68 105.19 99.91 2qm4 n GLY 141 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.02 2qm4 n GLY 141 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 2qm4 n SER 143 N -0.12 0.00 -0.10 1.61 3.41 -1.26 -1.35 113.62 115.81 2qm4 n SER 143 Ca 0.00 0.00 -0.10 0.00 -0.26 0.00 0.00 58.87 58.51 2qm4 n SER 143 Cb 0.04 0.00 -0.03 0.00 -0.26 0.00 0.00 64.21 63.96 2qm4 n SER 143 CO 0.00 0.00 0.00 -0.07 -0.16 0.00 0.00 175.04 174.81 2qm4 h LEU 144 N 0.00 0.43 -0.34 1.04 3.38 -1.95 -1.44 115.31 116.43 2qm4 h LEU 144 Ca 0.00 -0.20 -0.00 0.00 0.09 0.00 0.00 57.88 57.77 2qm4 h LEU 144 Cb 0.00 -0.11 -0.02 0.00 0.09 0.00 0.00 40.66 40.62 2qm4 h LEU 144 CO 0.00 0.52 0.20 0.00 0.09 0.00 0.00 178.44 179.25 2qm4 h ALA 145 N 0.93 0.43 -0.00 1.53 0.00 -1.62 -2.44 119.26 118.09 2qm4 h ALA 145 Ca 0.10 -0.05 -0.09 0.00 0.00 0.00 0.00 54.91 54.86 2qm4 h ALA 145 Cb 0.24 -0.14 -0.01 0.00 0.00 0.00 0.00 17.79 17.88 2qm4 h ALA 145 CO -0.00 -0.07 -0.43 -0.07 0.00 0.00 0.00 179.25 178.67 2qm4 h LEU 146 N 0.44 0.01 -0.72 0.00 3.38 -1.81 -2.19 115.31 114.42 2qm4 h LEU 146 Ca 0.12 -0.00 -0.12 0.00 0.09 0.00 0.00 57.88 57.97 2qm4 h LEU 146 Cb 0.01 -0.00 -0.01 0.00 0.09 0.00 0.00 40.66 40.74 2qm4 h LEU 146 CO -0.02 0.44 -0.29 -0.61 0.09 0.00 0.00 178.44 178.05 2qm4 h GLN 147 N 0.01 0.67 -0.67 1.13 4.15 -1.13 -1.83 115.11 117.43 2qm4 h GLN 147 Ca -0.00 -0.29 0.04 0.00 0.77 0.00 0.00 58.65 59.17 2qm4 h GLN 147 Cb 0.77 -0.02 -0.05 0.00 0.21 0.00 0.00 27.48 28.39 2qm4 h GLN 147 CO 0.06 0.88 0.40 0.00 -1.93 0.00 0.00 178.83 178.24 2qm4 h GLN 149 N 0.76 0.76 -0.43 0.00 4.20 -1.23 -1.10 115.11 118.07 2qm4 h GLN 149 Ca 0.29 -0.05 0.00 0.00 0.06 0.00 0.00 58.65 58.95 2qm4 h GLN 149 Cb 0.10 -0.17 -0.02 0.00 0.30 0.00 0.00 27.48 27.69 2qm4 h GLN 149 CO -0.14 0.50 0.28 0.28 -0.67 0.00 0.00 178.83 179.08 2qm4 h VAL 150 N 0.78 1.12 -0.39 -0.54 2.07 -1.12 -1.03 116.25 117.15 2qm4 h VAL 150 Ca 0.23 -0.23 -0.07 0.00 0.82 0.00 0.00 66.70 67.46 2qm4 h VAL 150 Cb -0.04 0.49 -0.02 0.00 -1.52 0.00 0.00 31.29 30.20 2qm4 h VAL 150 CO -0.07 0.12 -0.04 0.03 0.02 0.00 0.00 177.57 177.63 2qm4 h ARG 151 N 0.59 0.63 -0.27 1.57 3.08 -1.01 0.07 114.38 119.03 2qm4 h ARG 151 Ca 0.16 -0.16 -0.04 0.00 0.07 0.00 0.00 59.98 60.00 2qm4 h ARG 151 Cb -0.05 -0.08 -0.01 0.00 0.08 0.00 0.00 29.97 29.91 2qm4 h ARG 151 CO -0.03 0.68 -0.00 0.93 -1.07 0.00 0.00 179.97 180.47 2qm4 h GLU 152 N 0.59 0.48 -0.67 0.04 5.08 -0.93 -2.66 114.58 116.51 2qm4 h GLU 152 Ca 0.12 -0.15 -0.04 0.00 -1.00 0.00 0.00 59.36 58.28 2qm4 h GLU 152 Cb 0.43 -0.04 -0.03 0.00 0.50 0.00 0.00 28.75 29.61 2qm4 h GLU 152 CO 0.02 0.64 0.27 -0.07 -1.00 0.00 0.00 179.01 178.87 2qm4 h LEU 153 N 0.26 0.93 -0.64 1.33 3.38 -0.87 -1.37 115.31 118.32 2qm4 h LEU 153 Ca 0.08 -0.17 0.11 0.00 0.09 0.00 0.00 57.88 57.99 2qm4 h LEU 153 Cb 0.43 -0.24 -0.08 0.00 0.09 0.00 0.00 40.66 40.86 2qm4 h LEU 153 CO 0.01 0.84 0.21 0.00 0.09 0.00 0.00 178.44 179.60 2qm4 h ALA 154 N 1.12 0.83 -0.49 1.53 0.00 -1.00 -1.43 119.26 119.83 2qm4 h ALA 154 Ca 0.22 0.11 -0.04 0.00 0.00 0.00 0.00 54.91 55.20 2qm4 h ALA 154 Cb 0.21 0.11 -0.02 0.00 0.00 0.00 0.00 17.79 18.08 2qm4 h ALA 154 CO -0.02 -0.24 0.13 1.15 0.00 0.00 0.00 179.25 180.28 2qm4 h THR 155 N 0.37 1.23 -0.19 0.00 2.02 -1.10 -1.88 112.91 113.36 2qm4 h THR 155 Ca 0.34 -0.81 0.02 0.00 0.77 0.00 0.00 66.41 66.73 2qm4 h THR 155 Cb 0.47 0.84 -0.01 0.00 -1.74 0.00 0.00 68.15 67.71 2qm4 h THR 155 CO -0.37 0.29 0.13 -0.07 0.37 0.00 0.00 175.52 175.87 2qm4 h LEU 156 N 0.66 0.15 0.07 2.58 4.07 -0.88 -2.77 115.31 119.18 2qm4 h LEU 156 Ca 0.15 -0.00 -0.28 0.00 0.08 0.00 0.00 57.88 57.83 2qm4 h LEU 156 Cb 0.31 -0.04 0.02 0.00 1.08 0.00 0.00 40.66 42.03 2qm4 h LEU 156 CO -0.00 0.11 -1.19 -0.07 -1.08 0.00 0.00 178.44 176.20 2qm4 h LEU 157 N 0.18 0.77 -1.98 1.67 3.38 -0.87 -2.56 115.31 115.89 2qm4 h LEU 157 Ca 0.08 -0.70 0.00 0.00 0.09 0.00 0.00 57.88 57.34 2qm4 h LEU 157 Cb 0.09 -0.24 0.00 0.00 0.09 0.00 0.00 40.66 40.60 2qm4 h LEU 157 CO -0.01 1.52 0.00 1.41 0.09 0.00 0.00 178.44 181.44 2qm4 n HIS 158 N -3.75 0.00 0.00 1.13 8.25 -0.74 -1.25 115.22 118.85 2qm4 n HIS 158 Ca -0.12 -0.10 0.00 0.00 -0.26 0.00 0.00 57.72 57.24 2qm4 n HIS 158 Cb 0.96 -0.13 0.00 0.00 1.12 0.00 0.00 29.99 31.94 2qm4 n HIS 158 CO 0.00 0.00 0.00 1.63 0.64 0.00 0.00 176.34 178.61 2qm4 n LYS 160 N 0.89 0.00 -0.31 -0.41 5.02 -0.97 -1.81 118.16 120.57 2qm4 n LYS 160 Ca 0.00 0.00 0.10 0.00 -2.02 0.00 0.00 58.31 56.39 2qm4 n LYS 160 Cb 0.10 0.00 0.32 0.00 -0.02 0.00 0.00 35.03 35.43 2qm4 n LYS 160 CO 0.00 0.00 0.00 -0.44 -0.52 0.00 0.00 177.40 176.44 2qm4 h ASP 161 N 0.00 0.78 -0.06 4.39 3.32 -1.47 -1.41 116.42 121.96 2qm4 h ASP 161 Ca 0.00 0.05 -0.04 0.00 0.02 0.00 0.00 57.03 57.06 2qm4 h ASP 161 Cb 0.00 -0.11 -0.01 0.00 0.22 0.00 0.00 39.33 39.43 2qm4 h ASP 161 CO 0.00 0.40 -0.05 -0.07 -1.72 0.00 0.00 179.24 177.80 2qm4 h LEU 162 N 0.83 0.26 -0.13 1.55 4.07 -1.63 -0.90 115.31 119.35 2qm4 h LEU 162 Ca 0.47 -0.04 -0.17 0.00 0.08 0.00 0.00 57.88 58.23 2qm4 h LEU 162 Cb 0.62 -0.07 0.01 0.00 1.08 0.00 0.00 40.66 42.30 2qm4 h LEU 162 CO -0.24 0.35 -0.57 -0.08 -1.08 0.00 0.00 178.44 176.83 2qm4 h GLU 163 N 0.27 0.61 -0.55 1.13 4.81 -1.58 -2.46 114.58 116.81 2qm4 h GLU 163 Ca 0.06 -0.49 -0.06 0.00 -0.13 0.00 0.00 59.36 58.74 2qm4 h GLU 163 Cb 0.27 0.10 -0.02 0.00 0.63 0.00 0.00 28.75 29.72 2qm4 h GLU 163 CO 0.01 1.11 0.09 0.82 -0.73 0.00 0.00 179.01 180.31 2qm4 h ILE 164 N 0.26 1.25 -0.11 2.32 2.04 -1.17 -2.90 117.51 119.20 2qm4 h ILE 164 Ca -0.03 -0.96 -0.08 0.00 1.00 0.00 0.00 64.86 64.79 2qm4 h ILE 164 Cb 1.20 0.81 -0.01 0.00 -0.74 0.00 0.00 36.82 38.08 2qm4 h ILE 164 CO 0.12 0.35 -0.28 1.56 0.00 0.00 0.00 178.15 179.90 2qm4 h GLN 165 N 0.80 0.20 -0.23 2.37 4.20 -1.17 -1.23 115.11 120.05 2qm4 h GLN 165 Ca 0.17 -0.07 -0.01 0.00 0.06 0.00 0.00 58.65 58.80 2qm4 h GLN 165 Cb 0.40 -0.02 -0.01 0.00 0.30 0.00 0.00 27.48 28.16 2qm4 h GLN 165 CO 0.01 0.47 0.12 0.22 -0.67 0.00 0.00 178.83 178.98 2qm4 h ASP 166 N 0.18 0.29 0.54 1.46 1.82 -1.32 -2.15 116.42 117.23 2qm4 h ASP 166 Ca 0.03 -0.11 -0.02 0.00 -0.39 0.00 0.00 57.03 56.54 2qm4 h ASP 166 Cb 0.59 -0.08 -0.00 0.00 0.68 0.00 0.00 39.33 40.53 2qm4 h ASP 166 CO 0.04 0.32 -0.29 1.88 -1.61 0.00 0.00 179.24 179.57 2qm4 h TYR 167 N 0.25 -0.77 0.00 0.28 0.05 -1.29 -2.06 116.97 113.44 2qm4 h TYR 167 Ca 0.08 -0.01 0.00 0.00 0.05 0.00 0.00 58.73 58.85 2qm4 h TYR 167 Cb 0.09 0.27 0.00 0.00 1.01 0.00 0.00 36.73 38.10 2qm4 h TYR 167 CO -0.03 -0.46 0.00 0.00 -1.05 0.00 0.00 178.16 176.62 2qm4 n GLN 168 N -5.43 0.53 -0.06 4.88 10.64 -0.49 -2.18 117.38 125.25 2qm4 n GLN 168 Ca -0.12 0.02 -0.06 0.00 -1.83 0.00 0.00 57.00 55.01 2qm4 n GLN 168 Cb 0.33 -1.50 -0.09 0.00 -0.86 0.00 0.00 30.24 28.12 2qm4 n GLN 168 CO 0.00 0.00 0.00 0.39 -1.83 0.00 0.00 177.06 175.62 2qm4 n GLU 169 N -1.06 1.90 -3.36 2.61 1.02 -0.81 -4.79 120.64 116.15 2qm4 n GLU 169 Ca 0.13 0.00 -0.40 0.00 -0.02 0.00 0.00 57.16 56.87 2qm4 n GLU 169 Cb 0.08 -1.31 -0.02 0.00 -0.02 0.00 0.00 31.44 30.17 2qm4 n GLU 169 CO 0.00 0.00 0.00 -1.13 1.18 0.00 0.00 177.13 177.18 2qm4 n SER 170 N -2.49 5.22 0.00 1.62 3.41 -0.78 -4.95 113.62 115.66 2qm4 n SER 170 Ca -0.20 -3.19 0.00 0.00 -0.26 0.00 0.00 58.87 55.22 2qm4 n SER 170 Cb 0.89 -1.20 0.00 0.00 -0.26 0.00 0.00 64.21 63.64 2qm4 n SER 170 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 2qm4 n GLY 171 N 2.10 2.08 1.16 5.00 0.00 -1.25 -4.80 105.19 109.48 2qm4 n GLY 171 Ca 0.24 -0.02 0.00 0.00 0.00 0.00 0.00 46.02 46.25 2qm4 n GLY 171 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2qm4 n ALA 172 N 2.95 -1.00 -2.51 4.61 0.00 -1.07 -4.78 120.51 118.70 2qm4 n ALA 172 Ca 0.00 0.00 -0.33 0.00 0.00 0.00 0.00 53.44 53.11 2qm4 n ALA 172 Cb 0.00 -0.23 -0.12 0.00 0.00 0.00 0.00 19.45 19.10 2qm4 n ALA 172 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 177.50 178.49 2qm4 s THR 173 N 0.00 3.26 0.48 0.00 2.01 -1.26 -4.47 115.64 115.66 2qm4 s THR 173 Ca 0.00 -0.69 -0.22 0.00 0.31 0.00 0.00 61.69 61.09 2qm4 s THR 173 Cb 0.00 -2.31 -0.07 0.00 0.01 0.00 0.00 72.50 70.13 2qm4 s THR 173 CO 0.00 0.56 1.14 -1.48 -0.69 0.00 0.00 174.62 174.15 2qm4 s LEU 174 N -0.85 3.94 -0.16 4.42 -0.00 -1.26 -4.99 118.68 119.78 2qm4 s LEU 174 Ca 0.12 2.23 -0.02 0.00 -0.00 0.00 0.00 54.13 56.47 2qm4 s LEU 174 Cb -0.11 -4.35 -0.09 0.00 -0.00 0.00 0.00 46.19 41.64 2qm4 s LEU 174 CO 0.02 -0.97 -0.17 2.30 -0.00 0.00 0.00 176.35 177.53 2qm4 n ILE 175 N -0.72 0.92 -2.64 1.48 -5.35 -1.26 -4.83 119.36 106.96 2qm4 n ILE 175 Ca 0.08 -0.32 -0.42 0.00 -0.27 0.00 0.00 62.75 61.83 2qm4 n ILE 175 Cb 0.49 -1.27 -0.03 0.00 -1.74 0.00 0.00 39.64 37.09 2qm4 n ILE 175 CO 0.00 0.00 0.00 -0.13 -1.76 0.00 0.00 176.55 174.66 2qm4 s ARG 176 N -2.32 3.30 0.21 6.28 3.00 -1.26 -4.92 118.95 123.24 2qm4 s ARG 176 Ca -0.22 -0.68 -0.15 0.00 0.00 0.00 0.00 55.73 54.68 2qm4 s ARG 176 Cb 0.07 -4.52 0.23 0.00 0.00 0.00 0.00 34.95 30.73 2qm4 s ARG 176 CO 0.35 -2.07 1.61 0.22 0.00 0.00 0.00 175.30 175.41 2qm4 h ASP 177 N 9.79 -0.75 0.00 0.23 3.58 -2.03 -2.65 116.42 124.59 2qm4 h ASP 177 Ca -0.14 0.21 0.00 0.00 0.42 0.00 0.00 57.03 57.52 2qm4 h ASP 177 Cb 1.04 0.46 0.00 0.00 1.72 0.00 0.00 39.33 42.55 2qm4 h ASP 177 CO 1.28 -0.24 0.00 -2.11 -2.88 0.00 0.00 179.24 175.29 2qm4 n ARG 178 N -5.45 0.72 -0.02 0.28 0.00 -1.26 -3.64 116.66 107.28 2qm4 n ARG 178 Ca 0.08 0.00 -0.00 0.00 -0.00 0.00 0.00 57.85 57.92 2qm4 n ARG 178 Cb 0.35 -1.14 -0.05 0.00 -0.00 0.00 0.00 32.46 31.62 2qm4 n ARG 178 CO 0.00 0.00 0.00 1.28 0.00 0.00 0.00 177.63 178.91 2qm4 n LEU 179 N 0.87 0.00 -4.66 2.89 4.32 -1.00 -5.03 117.00 114.39 2qm4 n LEU 179 Ca 0.00 0.00 -0.52 0.00 -0.02 0.00 0.00 56.01 55.47 2qm4 n LEU 179 Cb 0.36 0.09 -0.06 0.00 -1.62 0.00 0.00 43.42 42.19 2qm4 n LEU 179 CO 0.00 0.09 1.17 1.17 -1.22 0.00 0.00 177.39 178.60 2qm4 n LYS 180 N -2.01 1.45 -0.04 3.23 4.81 -1.24 -4.91 118.16 119.45 2qm4 n LYS 180 Ca -0.06 0.53 -0.17 0.00 -0.87 0.00 0.00 58.31 57.73 2qm4 n LYS 180 Cb 0.47 -2.23 -0.14 0.00 0.02 0.00 0.00 35.03 33.15 2qm4 n LYS 180 CO 0.00 0.00 0.00 2.41 1.17 0.00 0.00 177.40 180.98 2qm4 n THR 181 N 3.72 1.65 0.00 3.15 -1.04 -1.26 -5.11 114.28 115.39 2qm4 n THR 181 Ca 0.21 -0.68 0.00 0.00 -2.04 0.00 0.00 64.05 61.55 2qm4 n THR 181 Cb 0.20 -1.43 0.00 0.00 -1.82 0.00 0.00 70.33 67.28 2qm4 n THR 181 CO 0.00 0.00 0.00 -1.84 -0.64 0.00 0.00 175.07 172.59 2qm4 n GLU 182 N -3.29 0.00 -1.58 -2.82 0.00 -1.26 -4.99 120.64 106.70 2qm4 n GLU 182 Ca -0.33 0.00 -0.41 0.00 0.00 0.00 0.00 57.16 56.42 2qm4 n GLU 182 Cb 1.04 0.00 0.02 0.00 0.00 0.00 0.00 31.44 32.50 2qm4 n GLU 182 CO 0.00 0.00 0.00 -2.30 0.00 0.00 0.00 177.13 174.83 2qm4 n PRO 183 N 0.35 1.14 -3.23 3.44 -0.02 -1.26 -4.95 135.00 130.47 2qm4 n PRO 183 Ca 0.00 0.41 -0.39 0.00 -2.02 0.00 0.00 63.50 61.50 2qm4 n PRO 183 Cb 0.00 -1.94 -0.06 0.00 -0.02 0.00 0.00 33.50 31.48 2qm4 n PRO 183 CO 0.00 0.00 0.00 0.12 1.98 0.00 0.00 175.50 177.60 2qm4 s PHE 184 N -1.34 3.47 -0.08 6.00 5.36 -1.26 -5.06 117.98 125.07 2qm4 s PHE 184 Ca 0.65 0.93 0.02 0.00 -0.96 0.00 0.00 56.93 57.56 2qm4 s PHE 184 Cb -0.55 -2.66 0.02 0.00 -0.34 0.00 0.00 43.02 39.49 2qm4 s PHE 184 CO 0.56 0.05 -0.12 -1.83 -1.46 0.00 0.00 175.22 172.42 2qm4 s GLU 185 N 1.06 1.74 0.26 10.12 4.04 -1.26 -4.90 118.70 129.76 2qm4 s GLU 185 Ca 0.28 -0.40 -0.02 0.00 0.04 0.00 0.00 54.97 54.87 2qm4 s GLU 185 Cb -0.16 -1.50 0.35 0.00 0.02 0.00 0.00 34.13 32.84 2qm4 s GLU 185 CO 0.11 -0.04 1.76 0.93 -1.84 0.00 0.00 175.26 176.19 2qm4 h GLU 186 N 7.24 0.77 0.25 -4.83 3.07 -1.98 -1.87 114.58 117.23 2qm4 h GLU 186 Ca -0.31 -0.21 -0.01 0.00 -0.50 0.00 0.00 59.36 58.33 2qm4 h GLU 186 Cb 1.18 -0.09 0.00 0.00 -0.84 0.00 0.00 28.75 29.00 2qm4 h GLU 186 CO 0.46 0.79 -0.12 -0.91 -1.40 0.00 0.00 179.01 177.83 2qm4 h ASN 187 N 0.72 -0.29 -0.46 1.42 2.35 -1.98 -1.04 115.58 116.30 2qm4 h ASN 187 Ca 0.14 -0.05 -0.01 0.00 -0.55 0.00 0.00 56.30 55.83 2qm4 h ASN 187 Cb 0.45 0.07 -0.02 0.00 0.05 0.00 0.00 38.32 38.87 2qm4 h ASN 187 CO 0.02 -0.13 0.27 -1.28 -1.65 0.00 0.00 177.43 174.65 2qm4 h SER 188 N -0.42 0.57 -0.63 5.81 0.87 -1.97 0.17 113.55 117.94 2qm4 h SER 188 Ca -0.03 -0.08 -0.01 0.00 -1.23 0.00 0.00 61.79 60.44 2qm4 h SER 188 Cb 0.32 -0.14 -0.03 0.00 -0.44 0.00 0.00 62.40 62.11 2qm4 h SER 188 CO 0.06 0.48 0.37 0.15 -0.53 0.00 0.00 176.83 177.36 2qm4 h PHE 189 N 0.61 0.84 -0.03 2.24 3.57 -1.28 -2.19 116.94 120.71 2qm4 h PHE 189 Ca 0.16 -0.01 -0.08 0.00 3.53 0.00 0.00 57.97 61.58 2qm4 h PHE 189 Cb 0.03 -0.27 0.01 0.00 2.79 0.00 0.00 35.95 38.50 2qm4 h PHE 189 CO -0.02 0.58 -0.30 1.25 -2.23 0.00 0.00 178.31 177.58 2qm4 h LEU 190 N 0.86 0.32 -0.65 0.59 5.85 -0.98 -0.13 115.31 121.17 2qm4 h LEU 190 Ca 0.23 -0.71 0.05 0.00 0.84 0.00 0.00 57.88 58.29 2qm4 h LEU 190 Cb -0.01 -0.10 -0.05 0.00 0.37 0.00 0.00 40.66 40.88 2qm4 h LEU 190 CO -0.04 0.98 0.37 -0.33 -0.34 0.00 0.00 178.44 179.08 2qm4 h GLU 191 N -0.32 0.68 -0.46 1.25 5.08 -0.68 -2.25 114.58 117.89 2qm4 h GLU 191 Ca -0.03 -0.04 -0.13 0.00 -1.00 0.00 0.00 59.36 58.15 2qm4 h GLU 191 Cb 1.00 -0.15 -0.01 0.00 0.50 0.00 0.00 28.75 30.08 2qm4 h GLU 191 CO 0.06 0.45 -0.24 1.96 -1.00 0.00 0.00 179.01 180.24 2qm4 h GLN 192 N 0.70 0.97 -0.40 2.33 1.08 -1.44 -2.51 115.11 115.85 2qm4 h GLN 192 Ca 0.28 -0.43 0.00 0.00 -1.45 0.00 0.00 58.65 57.05 2qm4 h GLN 192 Cb 0.14 -0.02 0.00 0.00 -0.05 0.00 0.00 27.48 27.54 2qm4 h GLN 192 CO -0.16 1.10 0.00 0.34 -0.95 0.00 0.00 178.83 179.16 2qm4 n PHE 193 N -4.12 0.00 0.00 2.96 -0.00 -0.06 -0.36 117.46 115.87 2qm4 n PHE 193 Ca -0.01 0.00 0.00 0.00 -0.00 0.00 0.00 57.45 57.44 2qm4 n PHE 193 Cb 0.47 -0.02 0.00 0.00 -0.00 0.00 0.00 39.48 39.93 2qm4 n PHE 193 CO 0.00 0.00 0.00 -0.89 -0.00 0.00 0.00 176.76 175.87 2qm4 n ILE 195 N 0.47 0.00 -0.04 -2.13 5.41 -0.94 -0.44 119.36 121.69 2qm4 n ILE 195 Ca 0.00 0.00 -0.09 0.00 1.00 0.00 0.00 62.75 63.66 2qm4 n ILE 195 Cb 0.00 0.00 -0.14 0.00 -0.71 0.00 0.00 39.64 38.79 2qm4 n ILE 195 CO 0.00 0.00 0.00 -0.62 0.00 0.00 0.00 176.55 175.93 2qm4 n GLU 196 N 0.00 0.64 -0.04 0.38 1.02 0.51 -4.72 120.64 118.44 2qm4 n GLU 196 Ca 0.00 0.23 -0.05 0.00 -0.02 0.00 0.00 57.16 57.32 2qm4 n GLU 196 Cb 0.00 -1.73 -0.03 0.00 -0.02 0.00 0.00 31.44 29.65 2qm4 n GLU 196 CO 0.00 0.00 0.00 1.63 1.18 0.00 0.00 177.13 179.94 2qm4 n LYS 197 N -2.97 0.45 -0.28 3.49 4.01 0.42 -4.79 118.16 118.49 2qm4 n LYS 197 Ca -0.20 0.04 -0.03 0.00 -0.51 0.00 0.00 58.31 57.61 2qm4 n LYS 197 Cb 1.07 -1.15 0.03 0.00 -0.51 0.00 0.00 35.03 34.48 2qm4 n LYS 197 CO 0.00 0.00 0.00 1.25 -1.11 0.00 0.00 177.40 177.54 2qm4 h LEU 198 N 0.00 -1.23 -0.62 -0.35 7.12 -1.56 -1.12 115.31 117.56 2qm4 h LEU 198 Ca -0.16 0.26 0.11 0.00 0.13 0.00 0.00 57.88 58.22 2qm4 h LEU 198 Cb 1.26 0.64 -0.08 0.00 -0.53 0.00 0.00 40.66 41.95 2qm4 h LEU 198 CO -0.02 -0.30 0.17 -0.65 -0.13 0.00 0.00 178.44 177.51 2qm4 h PRO 199 N -0.08 0.30 0.09 5.25 0.11 -1.88 -1.30 132.00 134.48 2qm4 h PRO 199 Ca 0.29 -0.02 -0.26 0.00 0.11 0.00 0.00 66.00 66.13 2qm4 h PRO 199 Cb 0.58 -0.07 -0.01 0.00 0.11 0.00 0.00 31.00 31.61 2qm4 h PRO 199 CO -0.82 0.20 -1.18 0.93 -0.21 0.00 0.00 178.00 176.92 2qm4 h GLU 200 N 0.31 0.19 -0.66 1.05 5.08 -1.84 -3.25 114.58 115.45 2qm4 h GLU 200 Ca 0.32 -0.32 -0.06 0.00 -1.00 0.00 0.00 59.36 58.30 2qm4 h GLU 200 Cb 0.47 0.12 -0.03 0.00 0.50 0.00 0.00 28.75 29.81 2qm4 h GLU 200 CO -0.38 1.15 0.17 0.00 -1.00 0.00 0.00 179.01 178.95 2qm4 h ALA 201 N 0.71 1.06 -0.01 3.43 0.00 -0.65 -2.95 119.26 120.85 2qm4 h ALA 201 Ca -0.10 -0.23 0.00 0.00 0.00 0.00 0.00 54.91 54.58 2qm4 h ALA 201 Cb 1.91 -0.26 0.00 0.00 0.00 0.00 0.00 17.79 19.45 2qm4 h ALA 201 CO 0.18 0.63 -0.12 0.00 0.00 0.00 0.00 179.25 179.93 2qm4 s SER 203 N -2.35 6.45 0.15 0.00 0.15 -1.12 -4.89 113.70 112.09 2qm4 s SER 203 Ca 0.31 2.71 0.19 0.00 0.70 0.00 0.00 55.95 59.86 2qm4 s SER 203 Cb 0.20 -2.56 -0.05 0.00 -1.71 0.00 0.00 66.02 61.90 2qm4 s SER 203 CO 0.45 -1.00 0.99 0.40 1.20 0.00 0.00 173.24 175.28 2qm4 h ILE 204 N 4.83 0.34 0.00 6.45 2.04 -1.91 -3.48 117.51 125.78 2qm4 h ILE 204 Ca -0.46 -1.63 0.00 0.00 1.00 0.00 0.00 64.86 63.77 2qm4 h ILE 204 Cb 1.22 1.88 0.00 0.00 -0.74 0.00 0.00 36.82 39.18 2qm4 h ILE 204 CO 0.95 0.19 0.00 0.61 0.00 0.00 0.00 178.15 179.90 2qm4 n GLY 205 N 1.29 2.63 1.59 5.37 0.00 -1.26 -2.28 105.19 112.53 2qm4 n GLY 205 Ca -0.05 0.08 -0.07 0.00 0.00 0.00 0.00 46.02 45.99 2qm4 n GLY 205 CO 0.00 0.00 0.00 2.09 0.00 0.00 0.00 173.32 175.41 2qm4 n ASP 206 N 1.92 3.65 0.00 1.61 5.75 -1.26 -4.90 116.55 123.31 2qm4 n ASP 206 Ca 0.00 -3.46 0.00 0.00 -0.01 0.00 0.00 54.79 51.32 2qm4 n ASP 206 Cb 0.00 -0.70 0.00 0.00 -1.03 0.00 0.00 41.12 39.39 2qm4 n ASP 206 CO 0.00 0.00 0.00 0.61 -0.11 0.00 0.00 177.20 177.70 2qm4 n GLY 207 N -0.76 2.20 0.13 6.12 0.00 -0.97 -4.83 105.19 107.08 2qm4 n GLY 207 Ca 0.39 0.00 -0.09 0.00 0.00 0.00 0.00 46.02 46.33 2qm4 n GLY 207 CO 0.00 0.00 0.00 1.70 0.00 0.00 0.00 173.32 175.02 2qm4 h LYS 208 N 2.50 0.30 -0.60 1.61 3.64 -1.91 -1.92 116.57 120.20 2qm4 h LYS 208 Ca 0.00 -0.02 0.03 0.00 -1.27 0.00 0.00 60.65 59.39 2qm4 h LYS 208 Cb 0.00 -0.07 -0.04 0.00 -0.41 0.00 0.00 32.23 31.71 2qm4 h LYS 208 CO 0.00 0.20 0.36 -1.35 -2.27 0.00 0.00 179.45 176.39 2qm4 h PRO 209 N 0.31 0.68 -0.54 1.90 0.11 -1.92 -2.62 132.00 129.93 2qm4 h PRO 209 Ca 0.11 -0.04 0.07 0.00 0.11 0.00 0.00 66.00 66.25 2qm4 h PRO 209 Cb 0.01 -0.15 -0.06 0.00 0.11 0.00 0.00 31.00 30.90 2qm4 h PRO 209 CO -0.06 0.45 0.21 0.35 -0.21 0.00 0.00 178.00 178.75 2qm4 h PHE 210 N 0.71 0.38 0.00 0.65 3.57 -1.82 0.26 116.94 120.68 2qm4 h PHE 210 Ca 0.24 0.03 0.00 0.00 3.53 0.00 0.00 57.97 61.77 2qm4 h PHE 210 Cb 0.04 -0.09 0.00 0.00 2.79 0.00 0.00 35.95 38.69 2qm4 h PHE 210 CO -0.06 0.13 0.00 0.28 -2.23 0.00 0.00 178.31 176.43 2qm4 n VAL 211 N -4.97 0.25 0.00 1.41 0.31 -0.74 -2.14 118.33 112.45 2qm4 n VAL 211 Ca 0.06 0.00 0.00 0.00 -0.01 0.00 0.00 64.34 64.39 2qm4 n VAL 211 Cb 0.21 -0.50 0.00 0.00 -0.91 0.00 0.00 33.84 32.64 2qm4 n VAL 211 CO 0.00 0.00 0.00 0.59 -1.32 0.00 0.00 176.83 176.10 2qm4 n ASN 213 N 0.49 0.00 0.00 4.52 3.02 0.08 -4.45 115.26 118.92 2qm4 n ASN 213 Ca 0.00 0.00 0.00 0.00 -0.03 0.00 0.00 54.58 54.55 2qm4 n ASN 213 Cb 0.19 0.00 0.00 0.00 -0.61 0.00 0.00 39.78 39.36 2qm4 n ASN 213 CO 0.00 0.00 0.00 0.18 -2.62 0.00 0.00 177.26 174.82 2qm4 n LEU 214 N -0.29 0.65 0.03 3.41 4.77 -0.91 -4.81 117.00 119.85 2qm4 n LEU 214 Ca 0.00 -0.77 -0.02 0.00 -0.03 0.00 0.00 56.01 55.20 2qm4 n LEU 214 Cb 0.00 0.00 0.26 0.00 -2.33 0.00 0.00 43.42 41.35 2qm4 n LEU 214 CO 0.00 0.16 0.80 1.56 -1.33 0.00 0.00 177.39 178.59 2qm4 h GLN 215 N 0.00 0.44 0.01 3.23 1.08 -1.78 0.50 115.11 118.59 2qm4 h GLN 215 Ca 0.00 -0.14 -0.00 0.00 -1.45 0.00 0.00 58.65 57.06 2qm4 h GLN 215 Cb 0.04 -0.04 0.00 0.00 -0.05 0.00 0.00 27.48 27.43 2qm4 h GLN 215 CO 0.00 0.61 -0.00 -0.44 -0.95 0.00 0.00 178.83 178.04 2qm4 h ASP 216 N 0.40 -0.01 -0.57 1.46 3.32 -1.94 -2.89 116.42 116.19 2qm4 h ASP 216 Ca 0.07 -0.06 -0.05 0.00 0.02 0.00 0.00 57.03 57.01 2qm4 h ASP 216 Cb 0.54 0.00 -0.02 0.00 0.22 0.00 0.00 39.33 40.07 2qm4 h ASP 216 CO 0.04 0.05 0.15 0.25 -1.72 0.00 0.00 179.24 178.01 2qm4 h LEU 217 N -0.07 0.86 -0.84 1.55 5.85 -1.86 -2.25 115.31 118.55 2qm4 h LEU 217 Ca -0.00 -0.22 0.00 0.00 0.84 0.00 0.00 57.88 58.50 2qm4 h LEU 217 Cb 0.07 -0.22 0.00 0.00 0.37 0.00 0.00 40.66 40.87 2qm4 h LEU 217 CO 0.00 0.85 0.00 0.00 -0.34 0.00 0.00 178.44 178.96 2qm4 n TYR 218 N -4.40 0.00 0.00 1.25 9.36 0.15 -0.71 117.16 122.81 2qm4 n TYR 218 Ca 0.03 0.00 0.00 0.00 3.32 0.00 0.00 57.90 61.25 2qm4 n TYR 218 Cb 0.22 0.00 0.00 0.00 -0.63 0.00 0.00 39.34 38.93 2qm4 n TYR 218 CO 0.00 0.00 0.00 0.00 0.22 0.00 0.00 176.86 177.08 2qm4 n ALA 220 N 0.23 0.00 -0.02 2.98 0.00 -0.85 -0.58 120.51 122.27 2qm4 n ALA 220 Ca 0.00 0.00 -0.12 0.00 0.00 0.00 0.00 53.44 53.32 2qm4 n ALA 220 Cb 0.00 0.00 -0.10 0.00 0.00 0.00 0.00 19.45 19.35 2qm4 n ALA 220 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 177.50 177.78 2qm4 h VAL 221 N 0.00 1.28 -0.65 0.00 2.07 -1.19 -2.03 116.25 115.73 2qm4 h VAL 221 Ca 0.00 -1.59 0.05 0.00 0.82 0.00 0.00 66.70 65.98 2qm4 h VAL 221 Cb 0.00 2.25 -0.04 0.00 -1.52 0.00 0.00 31.29 31.99 2qm4 h VAL 221 CO 0.00 0.37 0.43 0.71 0.02 0.00 0.00 177.57 179.10 2qm4 h THR 222 N -0.83 1.05 -0.51 2.57 1.35 -1.09 -1.46 112.91 113.99 2qm4 h THR 222 Ca -0.01 -0.25 -0.09 0.00 -0.55 0.00 0.00 66.41 65.52 2qm4 h THR 222 Cb 0.66 0.27 -0.02 0.00 -1.73 0.00 0.00 68.15 67.33 2qm4 h THR 222 CO 0.01 0.13 -0.03 0.74 -0.25 0.00 0.00 175.52 176.12 2qm4 h THR 223 N 0.72 1.27 -0.57 6.82 2.02 -1.80 -2.65 112.91 118.71 2qm4 h THR 223 Ca 0.27 -1.14 0.02 0.00 0.77 0.00 0.00 66.41 66.33 2qm4 h THR 223 Cb 0.16 0.98 -0.03 0.00 -1.74 0.00 0.00 68.15 67.52 2qm4 h THR 223 CO -0.08 0.40 0.36 -0.61 0.37 0.00 0.00 175.52 175.96 2qm4 h GLN 224 N 0.78 0.69 0.00 6.66 5.75 -0.59 -2.08 115.11 126.33 2qm4 h GLN 224 Ca 0.14 -0.04 -0.10 0.00 -0.15 0.00 0.00 58.65 58.50 2qm4 h GLN 224 Cb 0.56 -0.16 -0.01 0.00 1.07 0.00 0.00 27.48 28.94 2qm4 h GLN 224 CO 0.03 0.46 -0.46 0.93 -2.65 0.00 0.00 178.83 177.14 2qm4 h GLU 225 N 0.71 0.00 -0.09 1.69 5.08 -1.21 -1.25 114.58 119.50 2qm4 h GLU 225 Ca 0.22 0.00 -0.17 0.00 -1.00 0.00 0.00 59.36 58.41 2qm4 h GLU 225 Cb -0.01 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 29.23 2qm4 h GLU 225 CO -0.08 0.46 -0.68 0.28 -1.00 0.00 0.00 179.01 177.99 2qm4 h VAL 226 N 0.00 1.37 -0.25 3.13 2.07 -1.28 -2.87 116.25 118.43 2qm4 h VAL 226 Ca -0.00 -2.06 -0.07 0.00 0.82 0.00 0.00 66.70 65.38 2qm4 h VAL 226 Cb 0.83 2.04 -0.01 0.00 -1.52 0.00 0.00 31.29 32.64 2qm4 h VAL 226 CO 0.06 0.62 -0.13 -0.61 0.02 0.00 0.00 177.57 177.53 2qm4 h GLN 227 N 0.28 0.52 -0.92 1.57 4.15 -1.15 -2.93 115.11 116.64 2qm4 h GLN 227 Ca -0.02 -0.24 -0.00 0.00 0.77 0.00 0.00 58.65 59.16 2qm4 h GLN 227 Cb 1.24 -0.01 -0.00 0.00 0.21 0.00 0.00 27.48 28.92 2qm4 h GLN 227 CO 0.12 0.79 0.00 0.28 -1.93 0.00 0.00 178.83 178.09 2qm4 n VAL 228 N -4.47 0.54 1.91 2.39 0.31 -0.49 -5.11 118.33 113.41 2qm4 n VAL 228 Ca -0.04 -0.27 0.15 0.00 -0.01 0.00 0.00 64.34 64.17 2qm4 n VAL 228 Cb 0.36 -0.46 0.91 0.00 -0.91 0.00 0.00 33.84 33.73 2qm4 n VAL 228 CO 0.00 0.00 0.00 0.61 -1.32 0.00 0.00 176.83 176.12