#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1qm9 n GLY 2 N 0.00 5.50 3.74 3.03 0.00 -1.26 -4.97 105.19 111.23 1qm9 n GLY 2 Ca 0.00 -1.08 -0.41 0.00 0.00 0.00 0.00 46.02 44.54 1qm9 n GLY 2 CO 0.00 0.00 0.00 -1.31 0.00 0.00 0.00 173.32 172.01 1qm9 s ASN 3 N 1.01 7.41 -0.44 1.61 0.02 -1.26 -4.89 114.94 118.41 1qm9 s ASN 3 Ca 0.00 1.69 0.05 0.00 -1.02 0.00 0.00 52.86 53.58 1qm9 s ASN 3 Cb 0.00 -2.55 0.29 0.00 0.02 0.00 0.00 41.25 39.02 1qm9 s ASN 3 CO 0.00 -0.01 1.11 -0.24 0.02 0.00 0.00 177.10 177.98 1qm9 n SER 4 N 2.62 -2.23 -4.23 -1.22 2.88 -1.26 -4.76 113.62 105.42 1qm9 n SER 4 Ca -0.00 -3.13 -0.31 0.00 -1.33 0.00 0.00 58.87 54.10 1qm9 n SER 4 Cb 0.49 1.68 -0.17 0.00 -0.75 0.00 0.00 64.21 65.46 1qm9 n SER 4 CO 0.00 0.00 0.00 -0.69 -1.23 0.00 0.00 175.04 173.12 1qm9 s VAL 5 N 0.34 1.99 -0.29 2.46 1.01 -1.26 -0.68 120.40 123.96 1qm9 s VAL 5 Ca 0.25 -1.00 -0.23 0.00 0.00 0.00 0.00 61.98 61.00 1qm9 s VAL 5 Cb 0.27 -1.71 -0.00 0.00 0.00 0.00 0.00 36.38 34.94 1qm9 s VAL 5 CO -0.13 0.55 0.77 -0.76 0.00 0.00 0.00 175.10 175.53 1qm9 s LEU 6 N 0.14 4.09 -0.05 3.92 1.02 -0.82 -2.21 118.68 124.77 1qm9 s LEU 6 Ca -0.12 0.70 -0.22 0.00 0.02 0.00 0.00 54.13 54.50 1qm9 s LEU 6 Cb -0.16 -3.06 -0.04 0.00 0.02 0.00 0.00 46.19 42.95 1qm9 s LEU 6 CO 0.06 -0.58 0.65 -0.76 0.02 0.00 0.00 176.35 175.75 1qm9 s LEU 7 N 2.89 4.35 -0.18 1.79 1.02 0.46 -2.55 118.68 126.45 1qm9 s LEU 7 Ca 0.32 1.15 -0.08 0.00 0.02 0.00 0.00 54.13 55.54 1qm9 s LEU 7 Cb -0.14 -3.00 -0.04 0.00 0.02 0.00 0.00 46.19 43.02 1qm9 s LEU 7 CO 0.12 -0.03 0.10 -0.69 0.02 0.00 0.00 176.35 175.86 1qm9 s VAL 8 N 0.42 5.11 -0.28 -1.59 1.01 -1.09 -1.01 120.40 122.97 1qm9 s VAL 8 Ca 0.34 0.08 -0.12 0.00 0.00 0.00 0.00 61.98 62.28 1qm9 s VAL 8 Cb -0.18 -3.31 -0.04 0.00 0.00 0.00 0.00 36.38 32.85 1qm9 s VAL 8 CO 0.17 0.46 0.26 -0.44 0.00 0.00 0.00 175.10 175.56 1qm9 s SER 9 N 0.25 6.11 0.00 3.32 0.01 0.51 -0.49 113.70 123.41 1qm9 s SER 9 Ca 0.06 0.10 0.00 0.00 1.31 0.00 0.00 55.95 57.42 1qm9 s SER 9 Cb -0.12 -2.15 0.00 0.00 0.21 0.00 0.00 66.02 63.96 1qm9 s SER 9 CO -0.01 -0.10 0.00 -3.20 0.41 0.00 0.00 173.24 170.34 1qm9 n ASN 10 N 5.16 0.00 0.00 2.44 4.05 -0.84 -2.57 115.26 123.51 1qm9 n ASN 10 Ca -0.12 0.00 0.00 0.00 0.45 0.00 0.00 54.58 54.91 1qm9 n ASN 10 Cb 0.51 0.00 0.00 0.00 1.23 0.00 0.00 39.78 41.52 1qm9 n ASN 10 CO 0.00 0.00 0.00 0.18 -3.05 0.00 0.00 177.26 174.39 1qm9 n LEU 11 N -0.39 0.00 -0.03 1.20 7.99 -1.26 -1.96 117.00 122.54 1qm9 n LEU 11 Ca 0.00 0.00 -0.03 0.00 -0.01 0.00 0.00 56.01 55.97 1qm9 n LEU 11 Cb 0.00 0.00 -0.01 0.00 -0.11 0.00 0.00 43.42 43.30 1qm9 n LEU 11 CO 0.00 0.00 -0.23 0.59 -1.51 0.00 0.00 177.39 176.24 1qm9 n ASN 12 N 0.00 0.80 -2.77 -1.43 4.13 -1.26 0.21 115.26 114.94 1qm9 n ASN 12 Ca 0.00 0.24 0.00 0.00 1.68 0.00 0.00 54.58 56.50 1qm9 n ASN 12 Cb 0.00 -0.62 0.00 0.00 -1.54 0.00 0.00 39.78 37.62 1qm9 n ASN 12 CO 0.00 0.00 0.00 -0.81 0.28 0.00 0.00 177.26 176.73 1qm9 n PRO 13 N -3.30 -0.16 -0.10 3.52 -0.04 -1.26 -4.80 135.00 128.86 1qm9 n PRO 13 Ca -0.05 0.00 -0.16 0.00 -0.04 0.00 0.00 63.50 63.25 1qm9 n PRO 13 Cb 0.18 0.00 -0.13 0.00 -0.04 0.00 0.00 33.50 33.50 1qm9 n PRO 13 CO 0.00 0.00 0.00 0.39 -0.04 0.00 0.00 175.50 175.85 1qm9 n GLU 14 N -0.90 0.67 0.09 0.54 4.71 -1.26 -4.11 120.64 120.38 1qm9 n GLU 14 Ca 0.00 0.13 0.09 0.00 -0.01 0.00 0.00 57.16 57.38 1qm9 n GLU 14 Cb 0.00 -1.56 0.41 0.00 -1.01 0.00 0.00 31.44 29.28 1qm9 n GLU 14 CO 0.00 0.00 0.00 -2.13 0.09 0.00 0.00 177.13 175.09 1qm9 n ARG 15 N -3.14 0.11 -3.19 3.49 0.63 -1.26 -3.97 116.66 109.33 1qm9 n ARG 15 Ca -0.39 0.42 -0.45 0.00 -0.92 0.00 0.00 57.85 56.51 1qm9 n ARG 15 Cb 1.05 -1.75 -0.00 0.00 0.45 0.00 0.00 32.46 32.20 1qm9 n ARG 15 CO 0.00 0.00 0.00 0.08 -2.51 0.00 0.00 177.63 175.20 1qm9 s VAL 16 N -3.24 5.63 0.61 5.15 1.01 -1.26 -4.99 120.40 123.31 1qm9 s VAL 16 Ca 0.03 -3.07 0.01 0.00 0.00 0.00 0.00 61.98 58.95 1qm9 s VAL 16 Cb 0.08 -4.71 0.07 0.00 0.00 0.00 0.00 36.38 31.81 1qm9 s VAL 16 CO 0.29 -1.34 0.85 0.42 0.00 0.00 0.00 175.10 175.32 1qm9 s THR 17 N -0.13 2.47 0.47 3.92 -4.23 -1.25 -4.52 115.64 112.35 1qm9 s THR 17 Ca 0.34 -0.64 0.29 0.00 -1.18 0.00 0.00 61.69 60.50 1qm9 s THR 17 Cb -0.07 -2.83 0.32 0.00 1.34 0.00 0.00 72.50 71.25 1qm9 s THR 17 CO -0.05 0.00 2.13 1.55 -0.54 0.00 0.00 174.62 177.71 1qm9 h PRO 18 N -0.14 0.00 -0.62 3.99 0.13 -1.96 -2.63 132.00 130.77 1qm9 h PRO 18 Ca -0.40 0.00 0.08 0.00 -0.87 0.00 0.00 66.00 64.81 1qm9 h PRO 18 Cb 1.29 0.00 -0.07 0.00 0.13 0.00 0.00 31.00 32.35 1qm9 h PRO 18 CO 0.48 0.08 0.28 0.37 -0.23 0.00 0.00 178.00 178.98 1qm9 h GLN 19 N 0.00 0.48 -0.00 0.86 4.15 -1.97 2.41 115.11 121.03 1qm9 h GLN 19 Ca -0.00 -0.03 -0.01 0.00 0.77 0.00 0.00 58.65 59.38 1qm9 h GLN 19 Cb 0.23 -0.11 0.00 0.00 0.21 0.00 0.00 27.48 27.82 1qm9 h GLN 19 CO 0.01 0.32 -0.04 1.03 -1.93 0.00 0.00 178.83 178.21 1qm9 h SER 20 N 0.49 0.04 -0.86 -0.69 0.87 -1.86 -2.81 113.55 108.74 1qm9 h SER 20 Ca 0.30 -0.73 0.00 0.00 -1.23 0.00 0.00 61.79 60.13 1qm9 h SER 20 Cb 0.32 -0.01 -0.04 0.00 -0.44 0.00 0.00 62.40 62.22 1qm9 h SER 20 CO -0.26 0.77 0.54 0.25 -0.53 0.00 0.00 176.83 177.60 1qm9 h LEU 21 N -0.68 1.02 -1.30 2.23 6.46 -1.31 -1.55 115.31 120.17 1qm9 h LEU 21 Ca -0.00 -0.05 0.06 0.00 -0.12 0.00 0.00 57.88 57.77 1qm9 h LEU 21 Cb 0.77 -0.26 -0.05 0.00 -0.73 0.00 0.00 40.66 40.40 1qm9 h LEU 21 CO 0.01 0.76 0.51 0.15 -0.62 0.00 0.00 178.44 179.25 1qm9 h PHE 22 N 1.18 0.86 -0.83 1.25 3.57 0.41 -0.74 116.94 122.62 1qm9 h PHE 22 Ca 0.31 0.02 0.05 0.00 3.53 0.00 0.00 57.97 61.88 1qm9 h PHE 22 Cb -0.08 -0.28 -0.05 0.00 2.79 0.00 0.00 35.95 38.33 1qm9 h PHE 22 CO -0.01 0.46 0.55 0.97 -2.23 0.00 0.00 178.31 178.05 1qm9 h ILE 23 N 0.85 1.10 -0.02 1.41 2.10 -1.00 1.79 117.51 123.73 1qm9 h ILE 23 Ca 0.33 -0.34 0.01 0.00 1.08 0.00 0.00 64.86 65.95 1qm9 h ILE 23 Cb 0.22 0.03 -0.02 0.00 -1.09 0.00 0.00 36.82 35.96 1qm9 h ILE 23 CO -0.11 0.18 -0.07 -0.07 -1.08 0.00 0.00 178.15 177.00 1qm9 h LEU 24 N 0.98 -0.19 -0.28 2.19 -0.00 -1.05 -2.16 115.31 114.80 1qm9 h LEU 24 Ca 0.34 0.03 -0.16 0.00 -0.00 0.00 0.00 57.88 58.09 1qm9 h LEU 24 Cb 0.11 0.09 -0.02 0.00 -0.00 0.00 0.00 40.66 40.84 1qm9 h LEU 24 CO -0.11 -0.10 -0.78 -0.26 -0.00 0.00 0.00 178.44 177.19 1qm9 h PHE 25 N -0.11 0.00 0.00 1.13 0.04 -1.34 -3.07 116.94 113.60 1qm9 h PHE 25 Ca 0.03 0.00 0.00 0.00 2.80 0.00 0.00 57.97 60.80 1qm9 h PHE 25 Cb 0.15 0.00 0.00 0.00 2.20 0.00 0.00 35.95 38.30 1qm9 h PHE 25 CO -0.14 0.78 0.16 0.78 -0.60 0.00 0.00 178.31 179.28 1qm9 h GLY 26 N 2.68 0.00 -1.65 -1.45 0.00 0.34 -2.83 103.07 100.15 1qm9 h GLY 26 Ca -0.01 0.00 0.50 0.00 0.00 0.00 0.00 47.33 47.82 1qm9 h GLY 26 CO 0.10 0.00 1.17 1.55 0.00 0.00 0.00 176.54 179.36 1qm9 n VAL 27 N -2.45 -0.06 0.58 4.60 3.14 -1.00 0.29 118.33 123.43 1qm9 n VAL 27 Ca -0.02 1.43 0.07 0.00 -2.96 0.00 0.00 64.34 62.86 1qm9 n VAL 27 Cb 0.19 -2.37 0.01 0.00 -1.06 0.00 0.00 33.84 30.62 1qm9 n VAL 27 CO 0.00 0.00 0.00 0.00 -6.46 0.00 0.00 176.83 170.37 1qm9 n TYR 28 N -3.95 0.00 -3.98 1.45 0.18 -1.07 -5.00 117.16 104.80 1qm9 n TYR 28 Ca 0.40 0.00 -0.37 0.00 1.88 0.00 0.00 57.90 59.80 1qm9 n TYR 28 Cb 1.73 0.00 0.00 0.00 -0.38 0.00 0.00 39.34 40.69 1qm9 n TYR 28 CO 0.00 0.00 0.00 0.41 -2.08 0.00 0.00 176.86 175.19 1qm9 n GLY 29 N 0.97 -0.69 0.00 -7.48 0.00 0.84 -4.85 105.19 93.99 1qm9 n GLY 29 Ca 0.06 0.32 0.00 0.00 0.00 0.00 0.00 46.02 46.40 1qm9 n GLY 29 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 1qm9 n ASP 30 N -2.53 0.01 -4.60 1.61 8.00 -1.26 -5.00 116.55 112.78 1qm9 n ASP 30 Ca -0.17 -0.36 -0.43 0.00 0.71 0.00 0.00 54.79 54.55 1qm9 n ASP 30 Cb 0.61 0.68 -0.03 0.00 -0.02 0.00 0.00 41.12 42.36 1qm9 n ASP 30 CO 0.00 0.00 0.00 0.54 -0.39 0.00 0.00 177.20 177.35 1qm9 s VAL 31 N -0.68 3.40 0.34 2.53 0.11 -1.25 -4.44 120.40 120.41 1qm9 s VAL 31 Ca 0.00 0.41 0.02 0.00 -2.93 0.00 0.00 61.98 59.48 1qm9 s VAL 31 Cb 0.00 -3.55 0.27 0.00 -1.53 0.00 0.00 36.38 31.58 1qm9 s VAL 31 CO 0.00 -0.35 1.97 1.56 -3.33 0.00 0.00 175.10 174.95 1qm9 h GLN 32 N 13.21 0.88 -2.12 1.54 1.08 0.50 -3.35 115.11 126.85 1qm9 h GLN 32 Ca -0.35 -0.05 -0.06 0.00 -1.45 0.00 0.00 58.65 56.74 1qm9 h GLN 32 Cb 1.18 -0.20 -0.20 0.00 -0.05 0.00 0.00 27.48 28.21 1qm9 h GLN 32 CO 1.02 0.58 0.12 1.03 -0.95 0.00 0.00 178.83 180.63 1qm9 s ARG 33 N -5.78 0.95 -0.07 1.46 0.52 -1.19 -3.15 118.95 111.69 1qm9 s ARG 33 Ca -0.10 0.41 0.05 0.00 -0.52 0.00 0.00 55.73 55.57 1qm9 s ARG 33 Cb 0.18 0.45 -0.01 0.00 0.52 0.00 0.00 34.95 36.10 1qm9 s ARG 33 CO 0.78 -0.25 -0.23 0.54 0.02 0.00 0.00 175.30 176.15 1qm9 s VAL 34 N -0.77 1.94 -0.10 3.52 0.11 0.28 -1.85 120.40 123.54 1qm9 s VAL 34 Ca -0.08 -0.99 0.04 0.00 -2.93 0.00 0.00 61.98 58.02 1qm9 s VAL 34 Cb -0.02 -1.66 -0.00 0.00 -1.53 0.00 0.00 36.38 33.17 1qm9 s VAL 34 CO 0.07 0.54 -0.23 -0.54 -3.33 0.00 0.00 175.10 171.61 1qm9 s LYS 35 N 0.06 3.03 -0.14 1.54 1.02 -1.05 0.42 119.74 124.63 1qm9 s LYS 35 Ca -0.09 -0.85 -0.01 0.00 0.02 0.00 0.00 55.97 55.03 1qm9 s LYS 35 Cb -0.15 -2.33 0.04 0.00 -0.52 0.00 0.00 37.83 34.87 1qm9 s LYS 35 CO 0.05 0.22 -0.03 -1.50 -0.92 0.00 0.00 175.35 173.16 1qm9 s ILE 36 N 0.26 0.88 0.00 2.17 2.07 -1.15 -2.41 121.20 123.02 1qm9 s ILE 36 Ca -0.16 -0.42 0.00 0.00 -1.41 0.00 0.00 60.65 58.67 1qm9 s ILE 36 Cb -0.17 -1.07 0.00 0.00 0.13 0.00 0.00 42.46 41.35 1qm9 s ILE 36 CO 0.08 0.15 0.00 0.00 -1.91 0.00 0.00 174.94 173.26 1qm9 n LEU 37 N 4.96 0.00 0.06 8.50 -0.00 -1.26 -4.42 117.00 124.84 1qm9 n LEU 37 Ca -0.11 0.00 0.04 0.00 -0.00 0.00 0.00 56.01 55.94 1qm9 n LEU 37 Cb 0.48 0.00 0.22 0.00 -0.00 0.00 0.00 43.42 44.12 1qm9 n LEU 37 CO 0.15 0.00 0.63 0.33 -0.00 0.00 0.00 177.39 178.49 1qm9 n PHE 38 N -0.29 0.27 0.26 1.47 7.35 -1.26 -2.05 117.46 123.21 1qm9 n PHE 38 Ca 0.00 0.14 0.12 0.00 -0.76 0.00 0.00 57.45 56.95 1qm9 n PHE 38 Cb 0.00 -0.69 0.65 0.00 0.35 0.00 0.00 39.48 39.79 1qm9 n PHE 38 CO 0.00 0.00 0.00 -0.91 -0.76 0.00 0.00 176.76 175.09 1qm9 h ASN 39 N 0.00 0.00 -6.50 -2.13 -0.26 -1.91 -3.45 115.58 101.34 1qm9 h ASN 39 Ca 0.00 0.00 -0.50 0.00 -0.56 0.00 0.00 56.30 55.24 1qm9 h ASN 39 Cb 0.07 0.00 -0.04 0.00 -1.06 0.00 0.00 38.32 37.29 1qm9 h ASN 39 CO 0.00 0.00 -0.90 1.17 -1.06 0.00 0.00 177.43 176.64 1qm9 n LYS 40 N -2.54 -2.80 -1.39 0.81 4.81 -0.87 -3.97 118.16 112.21 1qm9 n LYS 40 Ca -0.02 0.39 0.11 0.00 -0.87 0.00 0.00 58.31 57.92 1qm9 n LYS 40 Cb 0.31 -4.36 -0.06 0.00 0.02 0.00 0.00 35.03 30.94 1qm9 n LYS 40 CO 0.00 0.00 0.00 1.63 1.17 0.00 0.00 177.40 180.20 1qm9 n LYS 41 N -4.40 -3.13 -1.04 1.64 5.02 -1.26 -4.68 118.16 110.30 1qm9 n LYS 41 Ca -0.28 2.53 -0.01 0.00 -2.02 0.00 0.00 58.31 58.53 1qm9 n LYS 41 Cb 0.67 -3.54 -0.01 0.00 -0.02 0.00 0.00 35.03 32.13 1qm9 n LYS 41 CO 0.00 0.00 0.00 0.39 -0.52 0.00 0.00 177.40 177.27 1qm9 n GLU 42 N -3.77 -1.40 -3.78 1.97 1.02 0.57 -4.87 120.64 110.38 1qm9 n GLU 42 Ca -0.06 0.42 -0.11 0.00 -0.02 0.00 0.00 57.16 57.39 1qm9 n GLU 42 Cb 0.56 -4.50 -0.08 0.00 -0.02 0.00 0.00 31.44 27.40 1qm9 n GLU 42 CO 0.00 0.00 0.00 -0.80 1.18 0.00 0.00 177.13 177.51 1qm9 s ASN 43 N -2.08 -0.07 0.19 1.62 -0.87 -1.25 -1.98 114.94 110.49 1qm9 s ASN 43 Ca 0.00 -0.24 -0.19 0.00 -1.57 0.00 0.00 52.86 50.85 1qm9 s ASN 43 Cb 0.00 0.34 0.04 0.00 -0.02 0.00 0.00 41.25 41.60 1qm9 s ASN 43 CO 0.00 -0.60 0.55 0.00 -2.57 0.00 0.00 177.10 174.49 1qm9 s ALA 44 N -2.54 -1.14 -0.19 0.60 0.00 0.36 -4.71 121.76 114.13 1qm9 s ALA 44 Ca -0.05 -0.03 0.01 0.00 0.00 0.00 0.00 51.96 51.89 1qm9 s ALA 44 Cb -0.01 0.85 0.03 0.00 0.00 0.00 0.00 23.12 23.98 1qm9 s ALA 44 CO -0.03 -0.81 -0.18 -0.51 0.00 0.00 0.00 175.76 174.23 1qm9 s LEU 45 N -2.84 2.35 -0.23 0.00 2.01 -1.01 -2.68 118.68 116.27 1qm9 s LEU 45 Ca 0.07 -0.77 -0.02 0.00 0.01 0.00 0.00 54.13 53.43 1qm9 s LEU 45 Cb -0.01 -1.49 0.02 0.00 0.01 0.00 0.00 46.19 44.71 1qm9 s LEU 45 CO -0.05 -0.03 -0.08 -0.69 1.01 0.00 0.00 176.35 176.51 1qm9 s VAL 46 N 1.26 2.83 -0.30 -1.59 1.01 -1.06 -2.52 120.40 120.03 1qm9 s VAL 46 Ca 0.03 -0.94 -0.08 0.00 0.00 0.00 0.00 61.98 60.99 1qm9 s VAL 46 Cb -0.14 -2.39 0.00 0.00 0.00 0.00 0.00 36.38 33.85 1qm9 s VAL 46 CO -0.12 0.28 0.12 -1.58 0.00 0.00 0.00 175.10 173.80 1qm9 s GLN 47 N 1.34 3.22 0.00 2.72 0.74 -0.77 -1.94 119.66 124.96 1qm9 s GLN 47 Ca 0.02 -0.79 0.00 0.00 0.05 0.00 0.00 55.36 54.64 1qm9 s GLN 47 Cb -0.16 -3.47 0.00 0.00 1.10 0.00 0.00 33.01 30.49 1qm9 s GLN 47 CO -0.05 -0.43 0.00 0.00 -0.55 0.00 0.00 175.29 174.26 1qm9 n MET 48 N 4.92 0.00 -0.26 1.67 0.00 -1.26 0.33 117.12 122.52 1qm9 n MET 48 Ca -0.14 0.00 0.03 0.00 0.00 0.00 0.00 57.70 57.59 1qm9 n MET 48 Cb 0.49 0.00 0.16 0.00 0.00 0.00 0.00 33.22 33.87 1qm9 n MET 48 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 175.97 175.97 1qm9 h ALA 49 N 0.00 1.06 -1.96 3.17 0.00 -1.83 -3.34 119.26 116.35 1qm9 h ALA 49 Ca 0.00 0.07 0.00 0.00 0.00 0.00 0.00 54.91 54.98 1qm9 h ALA 49 Cb 0.00 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 17.78 1qm9 h ALA 49 CO 0.00 -0.08 0.00 -0.25 0.00 0.00 0.00 179.25 178.92 1qm9 n ASP 50 N -4.89 0.00 0.00 0.00 8.00 0.14 0.19 116.55 119.98 1qm9 n ASP 50 Ca 0.13 0.00 0.00 0.00 0.71 0.00 0.00 54.79 55.63 1qm9 n ASP 50 Cb 0.33 -0.50 0.00 0.00 -0.02 0.00 0.00 41.12 40.94 1qm9 n ASP 50 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 1qm9 n GLY 51 N 0.00 2.85 0.08 0.44 0.00 -1.25 -4.74 105.19 102.57 1qm9 n GLY 51 Ca 0.00 -0.73 -0.12 0.00 0.00 0.00 0.00 46.02 45.17 1qm9 n GLY 51 CO 0.00 0.00 0.00 3.43 0.00 0.00 0.00 173.32 176.75 1qm9 h ASN 52 N 0.00 -0.06 -0.62 1.61 4.21 0.17 -3.32 115.58 117.57 1qm9 h ASN 52 Ca 0.00 -0.60 0.04 0.00 1.21 0.00 0.00 56.30 56.95 1qm9 h ASN 52 Cb 0.00 0.01 -0.04 0.00 -1.12 0.00 0.00 38.32 37.18 1qm9 h ASN 52 CO 0.00 0.63 0.41 1.56 -1.29 0.00 0.00 177.43 178.74 1qm9 h GLN 53 N -0.80 0.70 -0.42 0.81 4.20 -0.96 0.20 115.11 118.83 1qm9 h GLN 53 Ca -0.01 -0.04 0.07 0.00 0.06 0.00 0.00 58.65 58.73 1qm9 h GLN 53 Cb 0.65 -0.16 -0.02 0.00 0.30 0.00 0.00 27.48 28.25 1qm9 h GLN 53 CO 0.01 0.46 0.29 0.00 -0.67 0.00 0.00 178.83 178.92 1qm9 h ALA 54 N 1.64 2.03 -0.24 3.87 0.00 -1.67 1.65 119.26 126.53 1qm9 h ALA 54 Ca 0.25 -0.01 0.05 0.00 0.00 0.00 0.00 54.91 55.20 1qm9 h ALA 54 Cb 0.11 -0.06 -0.05 0.00 0.00 0.00 0.00 17.79 17.78 1qm9 h ALA 54 CO -0.07 -0.12 -0.10 0.37 0.00 0.00 0.00 179.25 179.33 1qm9 h GLN 55 N 0.28 -0.05 0.06 0.00 5.75 -0.70 2.93 115.11 123.38 1qm9 h GLN 55 Ca 0.19 0.00 -0.00 0.00 -0.15 0.00 0.00 58.65 58.69 1qm9 h GLN 55 Cb 0.39 0.01 0.00 0.00 1.07 0.00 0.00 27.48 28.95 1qm9 h GLN 55 CO -0.04 -0.04 -0.03 1.25 -2.65 0.00 0.00 178.83 177.33 1qm9 h LEU 56 N -0.06 -0.06 0.02 -2.39 5.85 -0.74 -3.09 115.31 114.84 1qm9 h LEU 56 Ca 0.12 -0.58 -0.00 0.00 0.84 0.00 0.00 57.88 58.26 1qm9 h LEU 56 Cb 0.24 0.02 0.00 0.00 0.37 0.00 0.00 40.66 41.29 1qm9 h LEU 56 CO -0.28 0.63 -0.01 0.00 -0.34 0.00 0.00 178.44 178.44 1qm9 h ALA 57 N -0.07 -0.02 -0.39 1.25 0.00 0.25 -0.35 119.26 119.92 1qm9 h ALA 57 Ca -0.01 -0.31 0.06 0.00 0.00 0.00 0.00 54.91 54.66 1qm9 h ALA 57 Cb 0.64 0.01 -0.06 0.00 0.00 0.00 0.00 17.79 18.39 1qm9 h ALA 57 CO 0.01 -0.19 0.05 1.98 0.00 0.00 0.00 179.25 181.10 1qm9 h MET 58 N -0.66 0.16 -0.01 0.00 1.85 0.52 0.23 114.93 117.02 1qm9 h MET 58 Ca -0.00 -0.01 -0.06 0.00 -0.61 0.00 0.00 59.70 59.01 1qm9 h MET 58 Cb 0.63 -0.04 0.00 0.00 0.43 0.00 0.00 31.60 32.62 1qm9 h MET 58 CO 0.00 0.11 -0.24 0.77 -0.40 0.00 0.00 176.91 177.15 1qm9 h SER 59 N 0.17 0.23 -0.83 1.39 0.02 -1.31 -1.23 113.55 112.00 1qm9 h SER 59 Ca 0.19 -0.74 -0.02 0.00 -0.84 0.00 0.00 61.79 60.39 1qm9 h SER 59 Cb 0.24 -0.07 -0.04 0.00 0.14 0.00 0.00 62.40 62.67 1qm9 h SER 59 CO -0.27 0.94 0.45 -0.74 -1.14 0.00 0.00 176.83 176.06 1qm9 h HIS 60 N -0.45 1.15 0.09 3.45 6.17 -0.90 -3.23 115.15 121.43 1qm9 h HIS 60 Ca -0.03 -0.03 -0.17 0.00 0.71 0.00 0.00 60.37 60.85 1qm9 h HIS 60 Cb 0.96 -0.37 0.00 0.00 2.52 0.00 0.00 27.41 30.53 1qm9 h HIS 60 CO 0.17 0.80 -0.81 1.25 0.71 0.00 0.00 177.93 180.05 1qm9 h LEU 61 N 1.16 0.29-10.07 0.26 6.46 -0.64 -3.44 115.31 109.34 1qm9 h LEU 61 Ca 0.29 -0.90 -0.40 0.00 -0.12 0.00 0.00 57.88 56.76 1qm9 h LEU 61 Cb 0.04 -0.09 0.22 0.00 -0.73 0.00 0.00 40.66 40.09 1qm9 h LEU 61 CO -0.05 1.36 -0.08 0.20 -0.62 0.00 0.00 178.44 179.26 1qm9 s ASN 62 N -6.80 -0.55 -0.79 1.25 -0.87 -0.46 -2.65 114.94 104.07 1qm9 s ASN 62 Ca -0.18 1.03 0.00 0.00 -1.57 0.00 0.00 52.86 52.14 1qm9 s ASN 62 Cb 0.01 -1.51 0.00 0.00 -0.02 0.00 0.00 41.25 39.73 1qm9 s ASN 62 CO 0.76 -5.07 0.00 0.61 -2.57 0.00 0.00 177.10 170.83 1qm9 n GLY 63 N 1.22 0.24 0.25 0.66 0.00 -1.26 -4.73 105.19 101.56 1qm9 n GLY 63 Ca 0.10 0.00 0.12 0.00 0.00 0.00 0.00 46.02 46.24 1qm9 n GLY 63 CO 0.00 0.00 0.00 1.12 0.00 0.00 0.00 173.32 174.44 1qm9 h HIS 64 N 0.00 0.00 -4.00 1.61 2.07 -1.80 -3.48 115.15 109.55 1qm9 h HIS 64 Ca -0.18 0.00 0.00 0.00 -2.85 0.00 0.00 60.37 57.35 1qm9 h HIS 64 Cb 0.78 0.00 -0.03 0.00 2.57 0.00 0.00 27.41 30.73 1qm9 h HIS 64 CO 0.45 0.15 -0.63 1.17 -3.07 0.00 0.00 177.93 176.01 1qm9 n LYS 65 N -3.40 -1.97 -2.67 5.12 4.81 -1.26 -4.96 118.16 113.84 1qm9 n LYS 65 Ca -0.00 1.78 -0.41 0.00 -0.87 0.00 0.00 58.31 58.81 1qm9 n LYS 65 Cb 0.34 -3.07 -0.05 0.00 0.02 0.00 0.00 35.03 32.27 1qm9 n LYS 65 CO 0.00 0.00 0.00 -0.51 1.17 0.00 0.00 177.40 178.06 1qm9 s LEU 66 N -0.58 4.57 0.00 3.14 1.43 -1.26 -4.92 118.68 121.06 1qm9 s LEU 66 Ca -0.07 1.97 0.00 0.00 -1.03 0.00 0.00 54.13 55.00 1qm9 s LEU 66 Cb 0.00 -3.60 0.00 0.00 0.03 0.00 0.00 46.19 42.62 1qm9 s LEU 66 CO 0.39 -0.01 0.52 0.00 0.23 0.00 0.00 176.35 177.48 1qm9 n HIS 67 N 1.97 0.00 0.00 0.29 1.44 -1.26 -4.88 115.22 112.78 1qm9 n HIS 67 Ca 0.00 -0.12 0.00 0.00 -2.01 0.00 0.00 57.72 55.59 1qm9 n HIS 67 Cb 0.47 -0.01 0.00 0.00 0.12 0.00 0.00 29.99 30.57 1qm9 n HIS 67 CO 0.00 0.00 0.00 0.41 -2.81 0.00 0.00 176.34 173.94 1qm9 n GLY 68 N -0.12 0.11 2.86 -1.39 0.00 -1.26 -5.08 105.19 100.31 1qm9 n GLY 68 Ca 0.00 -0.06 -0.26 0.00 0.00 0.00 0.00 46.02 45.70 1qm9 n GLY 68 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1qm9 s LYS 69 N -1.00 1.26 -0.76 1.61 -2.85 -1.26 -5.08 119.74 111.67 1qm9 s LYS 69 Ca 0.00 -0.25 -0.26 0.00 -1.00 0.00 0.00 55.97 54.46 1qm9 s LYS 69 Cb 0.00 -1.59 -0.00 0.00 -2.06 0.00 0.00 37.83 34.18 1qm9 s LYS 69 CO 0.00 -0.34 1.67 -1.25 0.10 0.00 0.00 175.35 175.53 1qm9 s PRO 70 N 1.76 2.89 -0.02 1.78 0.04 -1.26 -4.83 135.00 135.35 1qm9 s PRO 70 Ca 0.04 -0.02 0.02 0.00 0.04 0.00 0.00 61.00 61.07 1qm9 s PRO 70 Cb -0.13 -4.59 -0.03 0.00 0.04 0.00 0.00 34.50 29.78 1qm9 s PRO 70 CO -0.07 -2.64 -0.04 0.96 0.04 0.00 0.00 177.00 175.24 1qm9 s ILE 71 N 7.85 3.85 -0.06 0.56 -5.25 -1.26 -4.98 121.20 121.91 1qm9 s ILE 71 Ca 0.56 -0.61 0.00 0.00 -0.99 0.00 0.00 60.65 59.61 1qm9 s ILE 71 Cb -0.09 -2.66 -0.03 0.00 2.95 0.00 0.00 42.46 42.64 1qm9 s ILE 71 CO 0.11 0.46 -0.03 -0.60 -1.79 0.00 0.00 174.94 173.08 1qm9 s ARG 72 N -1.26 2.82 -0.08 0.37 6.06 -1.06 -4.95 118.95 120.84 1qm9 s ARG 72 Ca 0.16 -0.52 0.02 0.00 -2.50 0.00 0.00 55.73 52.90 1qm9 s ARG 72 Cb -0.11 -2.67 0.01 0.00 0.06 0.00 0.00 34.95 32.24 1qm9 s ARG 72 CO 0.06 0.67 -0.14 -1.50 -2.50 0.00 0.00 175.30 171.89 1qm9 s ILE 73 N -0.88 1.34 0.29 4.11 -1.16 -1.26 0.19 121.20 123.82 1qm9 s ILE 73 Ca 0.14 -0.58 0.09 0.00 -0.51 0.00 0.00 60.65 59.78 1qm9 s ILE 73 Cb -0.11 -1.22 -0.06 0.00 0.61 0.00 0.00 42.46 41.69 1qm9 s ILE 73 CO 0.03 0.40 -0.11 -0.89 -2.81 0.00 0.00 174.94 171.57 1qm9 s THR 74 N 0.75 1.99 -0.19 4.00 2.01 -0.18 -4.98 115.64 119.03 1qm9 s THR 74 Ca -0.12 -2.21 0.01 0.00 0.31 0.00 0.00 61.69 59.67 1qm9 s THR 74 Cb -0.16 -2.42 0.02 0.00 0.01 0.00 0.00 72.50 69.96 1qm9 s THR 74 CO 0.03 -0.33 -0.17 -0.22 -0.69 0.00 0.00 174.62 173.23 1qm9 s LEU 75 N -3.49 2.36 0.19 4.42 2.96 -1.26 -0.40 118.68 123.47 1qm9 s LEU 75 Ca 0.29 -0.72 -0.29 0.00 -0.22 0.00 0.00 54.13 53.19 1qm9 s LEU 75 Cb 0.01 -1.51 -0.17 0.00 0.50 0.00 0.00 46.19 45.02 1qm9 s LEU 75 CO 0.13 -0.03 0.64 -1.54 -1.32 0.00 0.00 176.35 174.24 1qm9 n SER 76 N 4.61 -0.77 0.00 3.68 3.41 -0.94 -4.94 113.62 118.67 1qm9 n SER 76 Ca -0.20 1.14 0.00 0.00 -0.26 0.00 0.00 58.87 59.55 1qm9 n SER 76 Cb 0.49 -0.99 0.00 0.00 -0.26 0.00 0.00 64.21 63.45 1qm9 n SER 76 CO 0.00 0.00 0.00 0.29 -0.16 0.00 0.00 175.04 175.17 1qm9 n LYS 77 N 1.03 0.00 -2.85 4.33 5.02 -1.26 -4.77 118.16 119.66 1qm9 n LYS 77 Ca 0.17 0.00 -0.01 0.00 -2.02 0.00 0.00 58.31 56.46 1qm9 n LYS 77 Cb 0.24 0.00 -0.00 0.00 -0.02 0.00 0.00 35.03 35.25 1qm9 n LYS 77 CO 0.00 0.00 0.00 1.58 -0.52 0.00 0.00 177.40 178.46 1qm9 n HIS 78 N 0.00 -2.80 0.05 2.13 -0.00 -1.26 -4.78 115.22 108.55 1qm9 n HIS 78 Ca 0.00 1.30 -0.12 0.00 0.46 0.00 0.00 57.72 59.36 1qm9 n HIS 78 Cb 0.00 -3.07 -0.13 0.00 -0.12 0.00 0.00 29.99 26.67 1qm9 n HIS 78 CO 0.00 0.00 0.00 0.37 0.46 0.00 0.00 176.34 177.17 1qm9 h GLN 79 N 3.40 0.12 0.00 1.57 4.15 -2.00 -3.44 115.11 118.91 1qm9 h GLN 79 Ca -0.05 -0.21 -0.00 0.00 0.77 0.00 0.00 58.65 59.15 1qm9 h GLN 79 Cb 0.40 0.08 0.00 0.00 0.21 0.00 0.00 27.48 28.17 1qm9 h GLN 79 CO 0.06 0.98 -0.00 -1.71 -1.93 0.00 0.00 178.83 176.23 1qm9 n ASN 80 N -3.36 -1.34 -4.16 -0.69 2.85 -1.26 -4.93 115.26 102.38 1qm9 n ASN 80 Ca -0.10 -0.01 -0.36 0.00 -0.11 0.00 0.00 54.58 53.99 1qm9 n ASN 80 Cb 1.01 -0.02 -0.12 0.00 1.24 0.00 0.00 39.78 41.89 1qm9 n ASN 80 CO 0.00 0.00 0.00 0.54 -2.11 0.00 0.00 177.26 175.69 1qm9 s VAL 81 N -0.68 3.36 -0.08 3.44 0.11 -1.26 -4.97 120.40 120.33 1qm9 s VAL 81 Ca 0.01 -1.80 -0.04 0.00 -2.93 0.00 0.00 61.98 57.22 1qm9 s VAL 81 Cb -0.00 -3.18 -0.04 0.00 -1.53 0.00 0.00 36.38 31.63 1qm9 s VAL 81 CO 0.01 -0.53 0.09 -1.58 -3.33 0.00 0.00 175.10 169.76 1qm9 s GLN 82 N 1.21 3.22 0.25 1.54 2.00 -1.26 -5.10 119.66 121.52 1qm9 s GLN 82 Ca 0.04 -0.30 0.01 0.00 -2.00 0.00 0.00 55.36 53.12 1qm9 s GLN 82 Cb -0.22 -2.99 -0.04 0.00 0.80 0.00 0.00 33.01 30.56 1qm9 s GLN 82 CO -0.02 0.73 0.43 -0.51 -0.50 0.00 0.00 175.29 175.41 1qm9 s LEU 83 N -1.16 4.19 0.00 3.68 1.43 -1.26 -4.84 118.68 120.72 1qm9 s LEU 83 Ca 0.17 0.33 0.00 0.00 -1.03 0.00 0.00 54.13 53.59 1qm9 s LEU 83 Cb -0.12 -3.13 0.00 0.00 0.03 0.00 0.00 46.19 42.97 1qm9 s LEU 83 CO 0.06 -0.13 0.00 -0.81 0.23 0.00 0.00 176.35 175.71 1qm9 n PRO 84 N -1.20 0.87 -3.70 1.29 -0.04 -1.26 -4.51 135.00 126.45 1qm9 n PRO 84 Ca -0.06 0.00 -0.25 0.00 -0.04 0.00 0.00 63.50 63.15 1qm9 n PRO 84 Cb 0.55 0.00 0.06 0.00 -0.04 0.00 0.00 33.50 34.07 1qm9 n PRO 84 CO 0.00 0.00 0.00 -2.13 -0.04 0.00 0.00 175.50 173.33 1qm9 n ARG 85 N -0.10 -6.66 -2.42 0.54 0.63 -1.26 -4.86 116.66 102.53 1qm9 n ARG 85 Ca 0.00 0.73 -0.03 0.00 -0.92 0.00 0.00 57.85 57.63 1qm9 n ARG 85 Cb 0.00 -5.67 0.10 0.00 0.45 0.00 0.00 32.46 27.34 1qm9 n ARG 85 CO 0.00 0.00 0.00 0.39 -2.51 0.00 0.00 177.63 175.51 1qm9 n GLU 86 N -4.73 1.16 0.00 -0.14 1.02 -1.26 -5.00 120.64 111.70 1qm9 n GLU 86 Ca -0.04 -1.18 0.00 0.00 -0.02 0.00 0.00 57.16 55.91 1qm9 n GLU 86 Cb 0.57 0.44 0.00 0.00 -0.02 0.00 0.00 31.44 32.43 1qm9 n GLU 86 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 1qm9 n GLY 87 N -1.32 -1.78 0.00 0.62 0.00 -1.26 -4.98 105.19 96.46 1qm9 n GLY 87 Ca -0.19 0.90 0.00 0.00 0.00 0.00 0.00 46.02 46.72 1qm9 n GLY 87 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1qm9 n GLN 88 N 0.00 -0.02 0.00 1.61 10.64 -1.26 -4.91 117.38 123.44 1qm9 n GLN 88 Ca 0.00 -0.29 0.00 0.00 -1.83 0.00 0.00 57.00 54.88 1qm9 n GLN 88 Cb 0.00 -0.64 0.00 0.00 -0.86 0.00 0.00 30.24 28.74 1qm9 n GLN 88 CO 0.00 0.00 0.00 0.39 -1.83 0.00 0.00 177.06 175.62 1qm9 n GLU 89 N -0.03 0.00 -0.03 2.61 1.02 -1.26 -4.83 120.64 118.11 1qm9 n GLU 89 Ca 0.00 0.00 0.10 0.00 -0.02 0.00 0.00 57.16 57.24 1qm9 n GLU 89 Cb 0.24 0.00 0.11 0.00 -0.02 0.00 0.00 31.44 31.77 1qm9 n GLU 89 CO 0.00 0.00 0.00 -0.25 1.18 0.00 0.00 177.13 178.06 1qm9 n ASP 90 N 0.00 2.84 -0.04 1.62 9.92 -1.26 -4.34 116.55 125.29 1qm9 n ASP 90 Ca 0.00 -1.89 -0.09 0.00 -0.53 0.00 0.00 54.79 52.28 1qm9 n ASP 90 Cb 0.00 -0.04 -0.14 0.00 -0.64 0.00 0.00 41.12 40.29 1qm9 n ASP 90 CO 0.00 0.00 0.00 0.00 0.13 0.00 0.00 177.20 177.33 1qm9 n GLN 91 N 1.20 0.65 0.00 -1.24 6.02 -1.26 -5.03 117.38 117.72 1qm9 n GLN 91 Ca 0.13 0.23 0.00 0.00 -0.01 0.00 0.00 57.00 57.35 1qm9 n GLN 91 Cb 0.53 -1.73 0.00 0.00 1.02 0.00 0.00 30.24 30.06 1qm9 n GLN 91 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 177.06 176.46 1qm9 n GLY 92 N 1.61 1.12 3.15 1.08 0.00 -1.26 -4.93 105.19 105.95 1qm9 n GLY 92 Ca -0.21 -0.15 -0.33 0.00 0.00 0.00 0.00 46.02 45.32 1qm9 n GLY 92 CO 0.00 0.00 0.00 -2.27 0.00 0.00 0.00 173.32 171.05 1qm9 s LEU 93 N 0.00 2.38 -0.08 0.99 0.20 -1.26 -5.03 118.68 115.87 1qm9 s LEU 93 Ca 0.00 -0.66 -0.01 0.00 0.69 0.00 0.00 54.13 54.15 1qm9 s LEU 93 Cb 0.00 -1.54 0.03 0.00 -0.43 0.00 0.00 46.19 44.25 1qm9 s LEU 93 CO 0.00 -0.02 -0.03 0.42 -0.29 0.00 0.00 176.35 176.43 1qm9 s THR 94 N 1.31 0.62 -0.04 3.68 -4.23 -1.26 -2.94 115.64 112.78 1qm9 s THR 94 Ca 0.04 -0.04 0.02 0.00 -1.18 0.00 0.00 61.69 60.53 1qm9 s THR 94 Cb -0.14 -0.72 -0.03 0.00 1.34 0.00 0.00 72.50 72.95 1qm9 s THR 94 CO -0.11 0.30 -0.10 -0.54 -0.54 0.00 0.00 174.62 173.64 1qm9 s LYS 95 N 1.79 2.61 -0.13 3.99 3.01 0.17 -4.97 119.74 126.20 1qm9 s LYS 95 Ca 0.04 -0.64 -0.06 0.00 -1.01 0.00 0.00 55.97 54.29 1qm9 s LYS 95 Cb -0.13 -2.49 -0.04 0.00 -1.01 0.00 0.00 37.83 34.16 1qm9 s LYS 95 CO -0.06 0.64 0.10 -0.51 0.51 0.00 0.00 175.35 176.02 1qm9 s ASP 96 N -0.93 5.99 0.03 2.83 1.11 -1.26 0.10 116.67 124.54 1qm9 s ASP 96 Ca 0.13 0.30 -0.09 0.00 0.18 0.00 0.00 52.55 53.07 1qm9 s ASP 96 Cb -0.11 -1.93 -0.05 0.00 1.07 0.00 0.00 42.92 41.91 1qm9 s ASP 96 CO 0.02 0.33 0.21 0.00 1.18 0.00 0.00 175.17 176.92 1qm9 n TYR 97 N 2.47 0.02 0.00 4.23 4.11 -1.19 -3.15 117.16 123.66 1qm9 n TYR 97 Ca -0.19 0.27 0.00 0.00 -0.00 0.00 0.00 57.90 57.98 1qm9 n TYR 97 Cb 0.54 -0.54 0.00 0.00 -0.00 0.00 0.00 39.34 39.34 1qm9 n TYR 97 CO 0.00 0.00 0.00 0.41 -0.00 0.00 0.00 176.86 177.27 1qm9 n GLY 98 N 0.47 1.55 0.00 -7.48 0.00 -1.26 -4.91 105.19 93.56 1qm9 n GLY 98 Ca 0.05 -0.42 0.00 0.00 0.00 0.00 0.00 46.02 45.65 1qm9 n GLY 98 CO 0.00 0.00 0.00 1.16 0.00 0.00 0.00 173.32 174.48 1qm9 n ASN 99 N 5.19 0.00 -4.85 1.61 0.23 -1.19 -5.15 115.26 111.11 1qm9 n ASN 99 Ca 0.00 0.00 -0.37 0.00 -0.53 0.00 0.00 54.58 53.68 1qm9 n ASN 99 Cb 0.00 0.00 -0.06 0.00 -2.08 0.00 0.00 39.78 37.64 1qm9 n ASN 99 CO 0.00 0.00 0.00 -0.94 -0.93 0.00 0.00 177.26 175.39 1qm9 s SER 100 N 0.00 6.76 0.97 0.53 1.04 -1.26 -4.99 113.70 116.76 1qm9 s SER 100 Ca 0.00 0.92 -0.13 0.00 0.48 0.00 0.00 55.95 57.22 1qm9 s SER 100 Cb 0.00 -2.23 0.17 0.00 0.10 0.00 0.00 66.02 64.06 1qm9 s SER 100 CO 0.00 0.27 1.12 -2.16 0.98 0.00 0.00 173.24 173.45 1qm9 s PRO 101 N -1.36 0.63 0.00 4.02 0.04 -1.26 -4.90 135.00 132.17 1qm9 s PRO 101 Ca 0.27 0.32 0.13 0.00 0.04 0.00 0.00 61.00 61.76 1qm9 s PRO 101 Cb -0.16 -1.78 0.77 0.00 0.04 0.00 0.00 34.50 33.38 1qm9 s PRO 101 CO 0.15 -2.55 1.30 1.47 0.04 0.00 0.00 177.00 177.41 1qm9 n LEU 102 N -4.02 0.00 -0.41 -3.56 -0.00 -1.26 -2.61 117.00 105.14 1qm9 n LEU 102 Ca 0.07 0.00 0.06 0.00 -0.00 0.00 0.00 56.01 56.14 1qm9 n LEU 102 Cb 0.59 0.00 0.15 0.00 -0.00 0.00 0.00 43.42 44.15 1qm9 n LEU 102 CO 0.56 0.00 0.61 1.41 -0.00 0.00 0.00 177.39 179.97 1qm9 n HIS 103 N -0.78 0.37 -0.03 1.47 8.25 -1.26 -4.67 115.22 118.57 1qm9 n HIS 103 Ca 0.10 -0.74 -0.16 0.00 -0.26 0.00 0.00 57.72 56.65 1qm9 n HIS 103 Cb 0.04 -0.15 -0.13 0.00 1.12 0.00 0.00 29.99 30.87 1qm9 n HIS 103 CO 0.00 0.00 0.00 -0.09 0.64 0.00 0.00 176.34 176.89 1qm9 h ARG 104 N 0.95 0.11 -6.09 -0.41 1.12 -1.86 -3.47 114.38 104.73 1qm9 h ARG 104 Ca 0.00 -0.17 -0.53 0.00 -1.11 0.00 0.00 59.98 58.17 1qm9 h ARG 104 Cb 0.96 0.06 -0.07 0.00 -0.01 0.00 0.00 29.97 30.91 1qm9 h ARG 104 CO 0.06 1.06 -0.50 0.12 -3.11 0.00 0.00 179.97 177.60 1qm9 s PHE 105 N -2.40 2.72 0.00 2.20 5.36 -1.26 -5.11 117.98 119.49 1qm9 s PHE 105 Ca -0.17 -0.42 0.00 0.00 -0.96 0.00 0.00 56.93 55.38 1qm9 s PHE 105 Cb -0.01 -1.79 0.00 0.00 -0.34 0.00 0.00 43.02 40.88 1qm9 s PHE 105 CO 0.74 0.23 0.00 1.63 -1.46 0.00 0.00 175.22 176.36 1qm9 n LYS 106 N -1.25 2.47 -1.47 10.12 4.76 -1.26 -4.74 118.16 126.79 1qm9 n LYS 106 Ca -0.02 0.00 -0.47 0.00 -2.87 0.00 0.00 58.31 54.95 1qm9 n LYS 106 Cb 0.62 0.00 -0.07 0.00 -1.84 0.00 0.00 35.03 33.73 1qm9 n LYS 106 CO 0.00 0.00 0.00 1.63 -1.37 0.00 0.00 177.40 177.66 1qm9 n LYS 107 N 0.00 0.96 -0.91 1.97 4.01 -1.26 -4.91 118.16 118.01 1qm9 n LYS 107 Ca 0.00 0.21 -0.20 0.00 -0.51 0.00 0.00 58.31 57.81 1qm9 n LYS 107 Cb 0.00 -2.52 0.16 0.00 -0.51 0.00 0.00 35.03 32.16 1qm9 n LYS 107 CO 0.00 0.00 0.00 -0.35 -1.11 0.00 0.00 177.40 175.94 1qm9 n PRO 108 N 8.38 -1.91 0.00 1.97 -0.04 -1.26 -5.00 135.00 137.15 1qm9 n PRO 108 Ca 0.43 -1.26 0.00 0.00 -0.04 0.00 0.00 63.50 62.63 1qm9 n PRO 108 Cb 0.26 -1.05 0.00 0.00 -0.04 0.00 0.00 33.50 32.67 1qm9 n PRO 108 CO 0.00 0.00 0.00 0.41 -0.04 0.00 0.00 175.50 175.87 1qm9 n GLY 109 N -1.90 2.03 3.70 0.55 0.00 -1.26 -5.12 105.19 103.18 1qm9 n GLY 109 Ca 0.11 -1.48 -0.32 0.00 0.00 0.00 0.00 46.02 44.32 1qm9 n GLY 109 CO 0.00 0.00 0.00 -1.26 0.00 0.00 0.00 173.32 172.06 1qm9 n SER 110 N 0.00 3.05 -4.82 1.61 2.88 -1.26 -5.16 113.62 109.93 1qm9 n SER 110 Ca 0.00 -3.29 -0.22 0.00 -1.33 0.00 0.00 58.87 54.04 1qm9 n SER 110 Cb 0.00 0.49 -0.04 0.00 -0.75 0.00 0.00 64.21 63.91 1qm9 n SER 110 CO 0.00 0.00 0.00 -0.54 -1.23 0.00 0.00 175.04 173.27 1qm9 s LYS 111 N -3.84 2.73 0.00 -1.46 1.02 -1.26 -5.13 119.74 111.80 1qm9 s LYS 111 Ca 0.04 -1.25 0.00 0.00 0.02 0.00 0.00 55.97 54.78 1qm9 s LYS 111 Cb 0.00 -2.46 0.00 0.00 -0.52 0.00 0.00 37.83 34.86 1qm9 s LYS 111 CO 0.03 0.21 0.00 0.09 -0.92 0.00 0.00 175.35 174.76 1qm9 n ASN 112 N -1.26 0.00 -2.61 2.83 3.02 -1.26 -5.02 115.26 110.96 1qm9 n ASN 112 Ca -0.04 0.00 -0.04 0.00 -0.03 0.00 0.00 54.58 54.47 1qm9 n ASN 112 Cb 0.59 0.00 -0.03 0.00 -0.61 0.00 0.00 39.78 39.73 1qm9 n ASN 112 CO 0.00 0.00 0.00 0.49 -2.62 0.00 0.00 177.26 175.13 1qm9 n PHE 113 N 0.00 -3.75 -2.69 3.10 3.01 -1.26 -5.02 117.46 110.85 1qm9 n PHE 113 Ca 0.00 2.20 -0.05 0.00 1.01 0.00 0.00 57.45 60.60 1qm9 n PHE 113 Cb 0.00 -3.38 0.10 0.00 -0.01 0.00 0.00 39.48 36.19 1qm9 n PHE 113 CO 0.00 0.00 0.00 0.00 1.01 0.00 0.00 176.76 177.77 1qm9 n GLN 114 N 1.89 0.50 -1.44 -1.08 0.00 -1.26 -5.09 117.38 110.90 1qm9 n GLN 114 Ca -0.29 -1.20 -0.00 0.00 0.00 0.00 0.00 57.00 55.51 1qm9 n GLN 114 Cb 0.44 -0.52 -0.00 0.00 0.00 0.00 0.00 30.24 30.16 1qm9 n GLN 114 CO 0.00 0.00 0.00 0.09 0.00 0.00 0.00 177.06 177.15 1qm9 n ASN 115 N 0.49 -3.15 -4.75 2.61 5.03 -1.26 -4.99 115.26 109.24 1qm9 n ASN 115 Ca -0.01 0.40 -0.37 0.00 0.87 0.00 0.00 54.58 55.47 1qm9 n ASN 115 Cb 0.73 -1.98 -0.07 0.00 -1.02 0.00 0.00 39.78 37.45 1qm9 n ASN 115 CO 0.00 0.00 0.00 0.27 -1.83 0.00 0.00 177.26 175.70 1qm9 s ILE 116 N -0.14 5.24 0.24 2.41 -5.25 -1.26 -5.08 121.20 117.36 1qm9 s ILE 116 Ca -0.02 0.71 0.09 0.00 -0.99 0.00 0.00 60.65 60.44 1qm9 s ILE 116 Cb 0.00 -3.69 -0.04 0.00 2.95 0.00 0.00 42.46 41.67 1qm9 s ILE 116 CO 0.05 0.40 -0.04 -0.36 -1.79 0.00 0.00 174.94 173.20 1qm9 s PHE 117 N 0.25 2.66 0.35 1.37 0.08 -1.26 -5.10 117.98 116.33 1qm9 s PHE 117 Ca 0.20 -0.23 -0.27 0.00 0.12 0.00 0.00 56.93 56.76 1qm9 s PHE 117 Cb -0.14 -1.21 -0.09 0.00 -0.57 0.00 0.00 43.02 41.01 1qm9 s PHE 117 CO 0.07 0.60 1.14 -1.25 -0.10 0.00 0.00 175.22 175.68 1qm9 s PRO 118 N -3.42 4.29 -0.73 0.24 0.04 -1.25 -4.94 135.00 129.23 1qm9 s PRO 118 Ca 0.29 1.82 -0.26 0.00 0.04 0.00 0.00 61.00 62.89 1qm9 s PRO 118 Cb -0.07 -2.86 -0.01 0.00 0.04 0.00 0.00 34.50 31.60 1qm9 s PRO 118 CO 0.18 -0.11 1.73 -1.25 0.04 0.00 0.00 177.00 177.59 1qm9 s PRO 119 N -2.01 2.80 0.44 0.56 0.04 -1.26 -4.84 135.00 130.74 1qm9 s PRO 119 Ca 0.52 0.11 0.07 0.00 0.04 0.00 0.00 61.00 61.74 1qm9 s PRO 119 Cb -0.31 -4.57 -0.02 0.00 0.04 0.00 0.00 34.50 29.64 1qm9 s PRO 119 CO 0.39 -2.71 0.31 -1.12 0.04 0.00 0.00 177.00 173.91 1qm9 s SER 120 N 6.96 4.74 -0.08 6.66 0.01 -1.26 -4.28 113.70 126.46 1qm9 s SER 120 Ca 0.60 -0.96 -0.01 0.00 1.31 0.00 0.00 55.95 56.88 1qm9 s SER 120 Cb -0.09 -0.35 0.03 0.00 0.21 0.00 0.00 66.02 65.81 1qm9 s SER 120 CO 0.12 -0.70 -0.01 0.00 0.41 0.00 0.00 173.24 173.06 1qm9 s ALA 121 N -2.58 0.80 -0.20 1.44 0.00 -0.79 -4.57 121.76 115.86 1qm9 s ALA 121 Ca 0.43 -0.19 0.01 0.00 0.00 0.00 0.00 51.96 52.21 1qm9 s ALA 121 Cb -0.00 -0.77 0.03 0.00 0.00 0.00 0.00 23.12 22.38 1qm9 s ALA 121 CO 0.25 -0.44 -0.17 0.95 0.00 0.00 0.00 175.76 176.34 1qm9 s THR 122 N 1.91 2.10 0.10 0.00 -4.23 -0.71 0.18 115.64 114.99 1qm9 s THR 122 Ca 0.05 -1.12 0.09 0.00 -1.18 0.00 0.00 61.69 59.52 1qm9 s THR 122 Cb -0.12 -1.98 -0.04 0.00 1.34 0.00 0.00 72.50 71.70 1qm9 s THR 122 CO -0.06 0.39 -0.18 -0.22 -0.54 0.00 0.00 174.62 174.01 1qm9 s LEU 123 N 1.24 2.67 -0.05 4.79 0.20 -0.08 0.18 118.68 127.64 1qm9 s LEU 123 Ca 0.01 -0.53 0.05 0.00 0.69 0.00 0.00 54.13 54.34 1qm9 s LEU 123 Cb -0.15 -1.53 -0.02 0.00 -0.43 0.00 0.00 46.19 44.06 1qm9 s LEU 123 CO -0.11 0.20 -0.18 -2.28 -0.29 0.00 0.00 176.35 173.69 1qm9 s HIS 124 N -1.09 2.60 -0.19 5.38 2.46 -1.01 1.00 115.29 124.43 1qm9 s HIS 124 Ca 0.17 -0.30 -0.10 0.00 0.47 0.00 0.00 55.06 55.30 1qm9 s HIS 124 Cb -0.11 -1.61 -0.05 0.00 -0.13 0.00 0.00 32.58 30.69 1qm9 s HIS 124 CO 0.09 0.08 0.15 -0.51 -2.47 0.00 0.00 174.74 172.08 1qm9 s LEU 125 N -0.59 4.22 0.40 8.88 2.01 0.34 -3.11 118.68 130.84 1qm9 s LEU 125 Ca 0.09 0.28 -0.08 0.00 0.01 0.00 0.00 54.13 54.43 1qm9 s LEU 125 Cb -0.11 -2.13 -0.05 0.00 0.01 0.00 0.00 46.19 43.90 1qm9 s LEU 125 CO 0.01 0.18 0.73 -0.55 1.01 0.00 0.00 176.35 177.73 1qm9 s SER 126 N 0.31 6.44 0.00 2.29 0.15 0.37 -2.93 113.70 120.34 1qm9 s SER 126 Ca 0.10 1.00 0.00 0.00 0.70 0.00 0.00 55.95 57.74 1qm9 s SER 126 Cb -0.11 -2.27 0.00 0.00 -1.71 0.00 0.00 66.02 61.93 1qm9 s SER 126 CO -0.01 -0.40 0.00 -3.20 1.20 0.00 0.00 173.24 170.83 1qm9 n ASN 127 N -1.46 0.00 -4.91 5.45 5.15 -1.26 -3.15 115.26 115.09 1qm9 n ASN 127 Ca 0.01 0.00 -0.31 0.00 -0.60 0.00 0.00 54.58 53.68 1qm9 n ASN 127 Cb 0.54 0.00 -0.04 0.00 -0.53 0.00 0.00 39.78 39.75 1qm9 n ASN 127 CO 0.00 0.00 0.00 -0.63 1.40 0.00 0.00 177.26 178.03 1qm9 s ILE 128 N 0.00 5.36 0.65 -1.44 1.09 -1.26 -1.54 121.20 124.06 1qm9 s ILE 128 Ca 0.00 -0.36 -0.16 0.00 -1.10 0.00 0.00 60.65 59.03 1qm9 s ILE 128 Cb 0.00 -3.60 -0.01 0.00 -1.06 0.00 0.00 42.46 37.80 1qm9 s ILE 128 CO 0.00 0.17 1.13 -2.16 -0.10 0.00 0.00 174.94 173.98 1qm9 s PRO 129 N -2.41 2.81 -1.18 2.79 0.04 -1.26 -4.87 135.00 130.93 1qm9 s PRO 129 Ca 0.33 1.48 -0.21 0.00 0.04 0.00 0.00 61.00 62.64 1qm9 s PRO 129 Cb -0.13 -1.94 -0.06 0.00 0.04 0.00 0.00 34.50 32.41 1qm9 s PRO 129 CO 0.26 -1.26 1.90 -0.35 0.04 0.00 0.00 177.00 177.59 1qm9 n PRO 130 N -2.27 1.94 0.00 0.56 -0.04 -1.26 -3.17 135.00 130.76 1qm9 n PRO 130 Ca 0.11 -2.58 0.00 0.00 -0.04 0.00 0.00 63.50 60.99 1qm9 n PRO 130 Cb 0.52 -3.60 0.00 0.00 -0.04 0.00 0.00 33.50 30.38 1qm9 n PRO 130 CO 0.00 0.00 0.00 0.45 -0.04 0.00 0.00 175.50 175.91 1qm9 n SER 131 N 12.35 0.00 -4.62 3.54 2.88 -1.26 -5.11 113.62 121.39 1qm9 n SER 131 Ca 0.46 0.00 -0.36 0.00 -1.33 0.00 0.00 58.87 57.64 1qm9 n SER 131 Cb 0.46 0.00 -0.10 0.00 -0.75 0.00 0.00 64.21 63.82 1qm9 n SER 131 CO 0.00 0.00 0.00 -0.69 -1.23 0.00 0.00 175.04 173.12 1qm9 s VAL 132 N 0.00 5.06 0.82 2.46 1.01 -1.19 -5.09 120.40 123.47 1qm9 s VAL 132 Ca 0.00 0.07 -0.10 0.00 0.00 0.00 0.00 61.98 61.95 1qm9 s VAL 132 Cb 0.00 -3.35 0.12 0.00 0.00 0.00 0.00 36.38 33.15 1qm9 s VAL 132 CO 0.00 0.37 1.16 -0.44 0.00 0.00 0.00 175.10 176.18 1qm9 s SER 133 N 1.01 4.14 0.40 3.32 0.01 -1.26 -4.74 113.70 116.58 1qm9 s SER 133 Ca 0.06 0.40 0.15 0.00 1.31 0.00 0.00 55.95 57.87 1qm9 s SER 133 Cb -0.14 -0.78 0.84 0.00 0.21 0.00 0.00 66.02 66.16 1qm9 s SER 133 CO 0.04 -2.07 1.88 -0.33 0.41 0.00 0.00 173.24 173.16 1qm9 h GLU 134 N -1.05 0.00 -0.60 12.44 5.08 -1.99 -2.69 114.58 125.77 1qm9 h GLU 134 Ca -0.44 0.00 -0.01 0.00 -1.00 0.00 0.00 59.36 57.91 1qm9 h GLU 134 Cb 1.29 0.00 -0.03 0.00 0.50 0.00 0.00 28.75 30.51 1qm9 h GLU 134 CO 0.53 0.31 0.32 1.49 -1.00 0.00 0.00 179.01 180.65 1qm9 h GLU 135 N 0.00 0.82 -0.20 2.33 4.57 -1.98 0.14 114.58 120.26 1qm9 h GLU 135 Ca -0.00 -0.09 -0.01 0.00 -1.18 0.00 0.00 59.36 58.08 1qm9 h GLU 135 Cb 0.57 -0.17 -0.01 0.00 -0.16 0.00 0.00 28.75 28.98 1qm9 h GLU 135 CO 0.04 0.61 0.09 -0.44 -1.18 0.00 0.00 179.01 178.13 1qm9 h ASP 136 N 0.83 0.27 -0.12 1.04 5.19 -1.85 -0.72 116.42 121.06 1qm9 h ASP 136 Ca 0.21 -0.15 -0.09 0.00 -0.62 0.00 0.00 57.03 56.39 1qm9 h ASP 136 Cb 0.03 -0.07 0.00 0.00 0.18 0.00 0.00 39.33 39.48 1qm9 h ASP 136 CO -0.03 0.34 -0.27 0.25 -3.12 0.00 0.00 179.24 176.40 1qm9 h LEU 137 N 0.18 0.44 -0.96 1.55 6.46 -1.53 -2.58 115.31 118.88 1qm9 h LEU 137 Ca 0.07 -0.57 0.11 0.00 -0.12 0.00 0.00 57.88 57.36 1qm9 h LEU 137 Cb 0.15 -0.13 -0.08 0.00 -0.73 0.00 0.00 40.66 39.87 1qm9 h LEU 137 CO -0.01 0.94 0.59 0.50 -0.62 0.00 0.00 178.44 179.84 1qm9 h LYS 138 N -0.03 0.93 -0.50 1.25 3.64 -0.69 -0.45 116.57 120.72 1qm9 h LYS 138 Ca -0.00 -0.06 -0.12 0.00 -1.27 0.00 0.00 60.65 59.21 1qm9 h LYS 138 Cb 0.87 -0.21 -0.02 0.00 -0.41 0.00 0.00 32.23 32.47 1qm9 h LYS 138 CO 0.06 0.62 -0.14 0.28 -2.27 0.00 0.00 179.45 177.99 1qm9 h VAL 139 N 0.96 1.27 -0.12 2.00 2.07 -1.09 -3.01 116.25 118.32 1qm9 h VAL 139 Ca 0.46 -1.29 -0.00 0.00 0.82 0.00 0.00 66.70 66.70 1qm9 h VAL 139 Cb 0.42 1.03 -0.01 0.00 -1.52 0.00 0.00 31.29 31.21 1qm9 h VAL 139 CO -0.25 0.45 0.07 -0.07 0.02 0.00 0.00 177.57 177.79 1qm9 h LEU 140 N 0.85 0.15 -2.01 2.57 3.38 -0.72 -1.22 115.31 118.32 1qm9 h LEU 140 Ca 0.13 -0.05 0.16 0.00 0.09 0.00 0.00 57.88 58.21 1qm9 h LEU 140 Cb 0.70 -0.04 -0.02 0.00 0.09 0.00 0.00 40.66 41.39 1qm9 h LEU 140 CO 0.05 0.15 0.41 -0.26 0.09 0.00 0.00 178.44 178.88 1qm9 h PHE 141 N 0.13 0.00 0.00 1.13 0.04 -1.11 2.93 116.94 120.05 1qm9 h PHE 141 Ca 0.04 0.00 0.00 0.00 2.80 0.00 0.00 57.97 60.81 1qm9 h PHE 141 Cb 0.03 0.00 0.00 0.00 2.20 0.00 0.00 35.95 38.18 1qm9 h PHE 141 CO -0.06 0.00 -0.04 0.77 -0.60 0.00 0.00 178.31 178.38 1qm9 h SER 142 N 0.00 0.00 0.16 2.17 0.02 -1.22 -0.34 113.55 114.34 1qm9 h SER 142 Ca 0.26 0.00 -0.22 0.00 -0.84 0.00 0.00 61.79 60.99 1qm9 h SER 142 Cb 1.08 0.00 0.00 0.00 0.14 0.00 0.00 62.40 63.62 1qm9 h SER 142 CO -0.00 0.23 -0.85 0.28 -1.14 0.00 0.00 176.83 175.35 1qm9 h SER 143 N -0.42 0.66 0.14 3.07 0.02 -1.17 -2.78 113.55 113.07 1qm9 h SER 143 Ca 0.00 -0.47 -0.35 0.00 -0.84 0.00 0.00 61.79 60.13 1qm9 h SER 143 Cb 0.04 -0.20 -0.06 0.00 0.14 0.00 0.00 62.40 62.32 1qm9 h SER 143 CO 0.00 1.25 -2.20 0.59 -1.14 0.00 0.00 176.83 175.34 1qm9 n ASN 144 N -3.83 0.32 0.18 3.07 3.02 0.52 -4.52 115.26 114.02 1qm9 n ASN 144 Ca -0.07 0.12 -0.10 0.00 -0.03 0.00 0.00 54.58 54.50 1qm9 n ASN 144 Cb 0.78 0.65 -0.06 0.00 -0.61 0.00 0.00 39.78 40.54 1qm9 n ASN 144 CO 0.00 0.00 0.00 1.23 -2.62 0.00 0.00 177.26 175.87 1qm9 h GLY 145 N 3.78 -0.54 0.00 7.41 0.00 0.53 -3.37 103.07 110.89 1qm9 h GLY 145 Ca -0.48 0.20 0.00 0.00 0.00 0.00 0.00 47.33 47.06 1qm9 h GLY 145 CO 0.04 -0.20 0.00 0.61 0.00 0.00 0.00 176.54 176.99 1qm9 n GLY 146 N 0.20 1.16 2.97 4.60 0.00 -0.22 -4.11 105.19 109.79 1qm9 n GLY 146 Ca -0.08 -0.28 -0.31 0.00 0.00 0.00 0.00 46.02 45.35 1qm9 n GLY 146 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1qm9 s VAL 147 N 0.00 1.79 -0.42 1.61 1.01 -1.26 -4.79 120.40 118.33 1qm9 s VAL 147 Ca 0.00 -1.55 -0.14 0.00 0.00 0.00 0.00 61.98 60.29 1qm9 s VAL 147 Cb 0.00 -2.08 0.04 0.00 0.00 0.00 0.00 36.38 34.34 1qm9 s VAL 147 CO 0.00 -0.21 0.31 -0.69 0.00 0.00 0.00 175.10 174.51 1qm9 s VAL 148 N 1.24 5.14 -0.66 2.92 1.01 -1.26 -3.77 120.40 125.02 1qm9 s VAL 148 Ca -0.03 -0.81 0.25 0.00 0.00 0.00 0.00 61.98 61.39 1qm9 s VAL 148 Cb -0.19 -3.93 0.24 0.00 0.00 0.00 0.00 36.38 32.50 1qm9 s VAL 148 CO -0.08 -0.38 1.64 0.50 0.00 0.00 0.00 175.10 176.79 1qm9 h LYS 149 N 8.63 0.00 0.00 2.72 3.64 -0.75 -3.49 116.57 127.33 1qm9 h LYS 149 Ca -0.27 0.00 0.00 0.00 -1.27 0.00 0.00 60.65 59.11 1qm9 h LYS 149 Cb 1.11 0.00 0.00 0.00 -0.41 0.00 0.00 32.23 32.93 1qm9 h LYS 149 CO 0.76 0.00 0.00 0.41 -2.27 0.00 0.00 179.45 178.35 1qm9 n GLY 150 N 1.28 3.74 2.90 5.01 0.00 -1.12 -4.93 105.19 112.07 1qm9 n GLY 150 Ca 0.05 -0.81 -0.17 0.00 0.00 0.00 0.00 46.02 45.08 1qm9 n GLY 150 CO 0.00 0.00 0.00 -0.11 0.00 0.00 0.00 173.32 173.21 1qm9 s PHE 151 N -2.00 0.49 -0.22 1.61 -0.71 -1.26 0.98 117.98 116.86 1qm9 s PHE 151 Ca 0.00 -0.09 0.01 0.00 -1.04 0.00 0.00 56.93 55.81 1qm9 s PHE 151 Cb 0.00 -0.42 0.04 0.00 -1.21 0.00 0.00 43.02 41.43 1qm9 s PHE 151 CO 0.00 -0.09 -0.14 0.15 -1.34 0.00 0.00 175.22 173.80 1qm9 s LYS 152 N 0.48 2.65 -0.20 1.99 1.02 0.57 -4.98 119.74 121.28 1qm9 s LYS 152 Ca -0.05 -1.07 -0.10 0.00 0.02 0.00 0.00 55.97 54.76 1qm9 s LYS 152 Cb -0.09 -2.77 -0.05 0.00 -0.52 0.00 0.00 37.83 34.40 1qm9 s LYS 152 CO -0.00 -0.39 0.15 -0.06 -0.92 0.00 0.00 175.35 174.12 1qm9 s PHE 153 N 1.22 3.41 0.00 3.18 0.40 -1.26 -1.64 117.98 123.29 1qm9 s PHE 153 Ca -0.02 0.35 0.00 0.00 -0.60 0.00 0.00 56.93 56.67 1qm9 s PHE 153 Cb -0.16 -2.18 0.00 0.00 0.51 0.00 0.00 43.02 41.18 1qm9 s PHE 153 CO -0.08 0.28 0.00 1.97 0.70 0.00 0.00 175.22 178.08 1qm9 n PHE 154 N 3.56 -0.29 1.19 0.36 1.16 -1.18 -5.00 117.46 117.25 1qm9 n PHE 154 Ca -0.16 0.00 0.14 0.00 -1.87 0.00 0.00 57.45 55.57 1qm9 n PHE 154 Cb 0.52 0.00 0.68 0.00 -1.61 0.00 0.00 39.48 39.07 1qm9 n PHE 154 CO 0.00 0.00 0.00 0.00 -1.87 0.00 0.00 176.76 174.89 1qm9 n GLN 155 N 0.00 0.21 0.00 3.97 10.64 -1.26 -3.12 117.38 127.82 1qm9 n GLN 155 Ca 0.00 0.01 0.00 0.00 -1.83 0.00 0.00 57.00 55.18 1qm9 n GLN 155 Cb 0.00 -1.50 0.00 0.00 -0.86 0.00 0.00 30.24 27.88 1qm9 n GLN 155 CO 0.00 0.00 0.00 1.17 -1.83 0.00 0.00 177.06 176.40 1qm9 n LYS 156 N -1.39 0.00 -0.67 2.61 3.00 -1.26 0.20 118.16 120.65 1qm9 n LYS 156 Ca 0.10 0.00 -0.06 0.00 -0.00 0.00 0.00 58.31 58.35 1qm9 n LYS 156 Cb 0.29 0.00 -0.09 0.00 0.00 0.00 0.00 35.03 35.23 1qm9 n LYS 156 CO 0.00 0.00 0.00 -3.47 0.00 0.00 0.00 177.40 173.93 1qm9 n ASP 157 N 0.00 4.38 -2.45 3.14 -0.08 -1.26 -4.77 116.55 115.50 1qm9 n ASP 157 Ca 0.00 -2.26 -0.04 0.00 -1.51 0.00 0.00 54.79 50.98 1qm9 n ASP 157 Cb 0.00 -1.09 -0.04 0.00 2.34 0.00 0.00 41.12 42.34 1qm9 n ASP 157 CO 0.00 0.00 0.00 -1.14 0.12 0.00 0.00 177.20 176.18 1qm9 n ARG 158 N 2.21 -3.86 -1.59 -0.67 0.63 0.54 -3.68 116.66 110.24 1qm9 n ARG 158 Ca 0.22 2.99 -0.13 0.00 -0.92 0.00 0.00 57.85 60.01 1qm9 n ARG 158 Cb 0.63 -4.56 -0.04 0.00 0.45 0.00 0.00 32.46 28.93 1qm9 n ARG 158 CO 0.00 0.00 0.00 1.63 -2.51 0.00 0.00 177.63 176.75 1qm9 n LYS 159 N 1.35 -1.47 -4.02 -0.14 4.76 -1.23 -4.79 118.16 112.62 1qm9 n LYS 159 Ca -0.32 0.72 -0.24 0.00 -2.87 0.00 0.00 58.31 55.61 1qm9 n LYS 159 Cb 0.49 -5.04 -0.06 0.00 -1.84 0.00 0.00 35.03 28.58 1qm9 n LYS 159 CO 0.00 0.00 0.00 -1.64 -1.37 0.00 0.00 177.40 174.39 1qm9 s MET 160 N -3.49 2.29 0.11 1.97 -1.94 -1.18 -4.10 119.30 112.97 1qm9 s MET 160 Ca 0.00 -1.76 -0.08 0.00 -1.71 0.00 0.00 55.69 52.14 1qm9 s MET 160 Cb 0.00 -2.07 -0.01 0.00 2.01 0.00 0.00 34.83 34.76 1qm9 s MET 160 CO 0.00 -0.12 0.20 0.00 -0.01 0.00 0.00 175.02 175.10 1qm9 s ALA 161 N -2.56 -0.04 0.07 3.03 0.00 -1.15 -3.13 121.76 117.98 1qm9 s ALA 161 Ca 0.42 -0.80 0.07 0.00 0.00 0.00 0.00 51.96 51.66 1qm9 s ALA 161 Cb 0.02 0.63 -0.03 0.00 0.00 0.00 0.00 23.12 23.74 1qm9 s ALA 161 CO 0.24 -0.55 -0.19 -1.17 0.00 0.00 0.00 175.76 174.09 1qm9 s LEU 162 N -2.91 2.23 -0.01 0.00 0.20 -0.65 -0.50 118.68 117.03 1qm9 s LEU 162 Ca 0.10 -0.59 0.04 0.00 0.69 0.00 0.00 54.13 54.38 1qm9 s LEU 162 Cb 0.05 -0.84 -0.01 0.00 -0.43 0.00 0.00 46.19 44.95 1qm9 s LEU 162 CO -0.06 0.08 -0.14 -0.63 -0.29 0.00 0.00 176.35 175.30 1qm9 s ILE 163 N -1.00 1.15 -0.11 6.68 1.09 0.28 -0.31 121.20 128.98 1qm9 s ILE 163 Ca 0.05 -0.62 -0.13 0.00 -1.10 0.00 0.00 60.65 58.86 1qm9 s ILE 163 Cb -0.09 -0.97 -0.05 0.00 -1.06 0.00 0.00 42.46 40.29 1qm9 s ILE 163 CO 0.03 0.33 0.30 -1.10 -0.10 0.00 0.00 174.94 174.40 1qm9 s GLN 164 N -0.29 4.04 -0.34 2.79 1.11 0.28 -0.90 119.66 126.36 1qm9 s GLN 164 Ca 0.04 0.15 -0.01 0.00 0.01 0.00 0.00 55.36 55.55 1qm9 s GLN 164 Cb -0.06 -3.34 0.13 0.00 -1.01 0.00 0.00 33.01 28.73 1qm9 s GLN 164 CO -0.00 0.44 0.20 -1.64 0.01 0.00 0.00 175.29 174.29 1qm9 s MET 165 N -0.16 0.46 0.00 2.91 -1.94 0.47 0.04 119.30 121.08 1qm9 s MET 165 Ca 0.18 -1.11 0.00 0.00 -1.71 0.00 0.00 55.69 53.05 1qm9 s MET 165 Cb -0.14 -1.24 0.00 0.00 2.01 0.00 0.00 34.83 35.46 1qm9 s MET 165 CO 0.06 -1.16 0.32 0.41 -0.01 0.00 0.00 175.02 174.65 1qm9 n GLY 166 N 4.35 -1.44 3.57 -0.03 0.00 -1.25 -1.88 105.19 108.50 1qm9 n GLY 166 Ca 0.08 0.29 -0.43 0.00 0.00 0.00 0.00 46.02 45.96 1qm9 n GLY 166 CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76 1qm9 n SER 167 N -1.62 2.93 -0.16 1.61 7.64 -1.26 -3.22 113.62 119.54 1qm9 n SER 167 Ca 0.00 0.12 -0.08 0.00 1.01 0.00 0.00 58.87 59.92 1qm9 n SER 167 Cb 0.00 -1.52 0.01 0.00 -1.01 0.00 0.00 64.21 61.70 1qm9 n SER 167 CO 0.00 0.00 0.00 0.58 -3.01 0.00 0.00 175.04 172.61 1qm9 h VAL 168 N 7.25 1.16 -0.73 0.44 2.07 -1.74 -1.57 116.25 123.12 1qm9 h VAL 168 Ca -0.36 -0.38 0.18 0.00 0.82 0.00 0.00 66.70 66.95 1qm9 h VAL 168 Cb 1.26 0.55 -0.04 0.00 -1.52 0.00 0.00 31.29 31.54 1qm9 h VAL 168 CO 1.00 0.16 0.50 -0.33 0.02 0.00 0.00 177.57 178.93 1qm9 h GLU 169 N 0.63 0.21 -0.36 1.57 5.08 -1.90 0.11 114.58 119.91 1qm9 h GLU 169 Ca 0.17 -0.01 -0.15 0.00 -1.00 0.00 0.00 59.36 58.37 1qm9 h GLU 169 Cb 0.02 -0.05 -0.01 0.00 0.50 0.00 0.00 28.75 29.22 1qm9 h GLU 169 CO -0.03 0.14 -0.37 0.93 -1.00 0.00 0.00 179.01 178.68 1qm9 h GLU 170 N 0.22 0.85 -0.47 2.33 3.07 -1.54 -2.32 114.58 116.72 1qm9 h GLU 170 Ca 0.36 -0.43 0.04 0.00 -0.50 0.00 0.00 59.36 58.83 1qm9 h GLU 170 Cb 1.09 0.01 -0.04 0.00 -0.84 0.00 0.00 28.75 28.97 1qm9 h GLU 170 CO -0.07 1.07 0.23 0.00 -1.40 0.00 0.00 179.01 178.84 1qm9 h ALA 171 N 0.88 0.59 -0.34 3.43 0.00 -0.49 -1.75 119.26 121.58 1qm9 h ALA 171 Ca 0.06 0.02 -0.11 0.00 0.00 0.00 0.00 54.91 54.88 1qm9 h ALA 171 Cb 0.94 -0.06 -0.01 0.00 0.00 0.00 0.00 17.79 18.65 1qm9 h ALA 171 CO 0.09 -0.12 -0.24 0.28 0.00 0.00 0.00 179.25 179.25 1qm9 h VAL 172 N 0.46 1.27 -0.79 0.00 2.07 -1.46 -2.76 116.25 115.05 1qm9 h VAL 172 Ca 0.21 -1.34 0.16 0.00 0.82 0.00 0.00 66.70 66.55 1qm9 h VAL 172 Cb 0.12 1.27 -0.05 0.00 -1.52 0.00 0.00 31.29 31.11 1qm9 h VAL 172 CO -0.15 0.44 0.53 -0.61 0.02 0.00 0.00 177.57 177.80 1qm9 h GLN 173 N 0.59 0.38 -0.75 1.57 4.15 -0.74 -0.84 115.11 119.47 1qm9 h GLN 173 Ca 0.08 -0.02 0.04 0.00 0.77 0.00 0.00 58.65 59.51 1qm9 h GLN 173 Cb 0.73 -0.09 -0.05 0.00 0.21 0.00 0.00 27.48 28.29 1qm9 h GLN 173 CO 0.06 0.25 0.47 0.00 -1.93 0.00 0.00 178.83 177.68 1qm9 h ALA 174 N 1.64 0.98 -0.09 3.38 0.00 -1.16 1.20 119.26 125.21 1qm9 h ALA 174 Ca 0.39 -0.02 0.02 0.00 0.00 0.00 0.00 54.91 55.30 1qm9 h ALA 174 Cb 0.94 -0.23 -0.02 0.00 0.00 0.00 0.00 17.79 18.48 1qm9 h ALA 174 CO -0.13 0.24 -0.05 1.25 0.00 0.00 0.00 179.25 180.57 1qm9 h LEU 175 N 0.90 -0.16 -0.09 0.00 5.85 -1.28 1.79 115.31 122.33 1qm9 h LEU 175 Ca 0.30 0.04 -0.04 0.00 0.84 0.00 0.00 57.88 59.02 1qm9 h LEU 175 Cb 0.05 0.09 -0.00 0.00 0.37 0.00 0.00 40.66 41.16 1qm9 h LEU 175 CO -0.12 -0.07 -0.10 0.40 -0.34 0.00 0.00 178.44 178.21 1qm9 h ILE 176 N -0.05 1.37 -0.03 4.05 1.08 -1.39 -2.35 117.51 120.20 1qm9 h ILE 176 Ca 0.05 -1.28 -0.02 0.00 -0.39 0.00 0.00 64.86 63.22 1qm9 h ILE 176 Cb 0.12 2.02 0.00 0.00 -3.07 0.00 0.00 36.82 35.90 1qm9 h ILE 176 CO -0.12 0.36 -0.06 0.44 -0.69 0.00 0.00 178.15 178.08 1qm9 h ASP 177 N -0.21 0.10 -0.57 1.72 5.19 0.16 1.19 116.42 124.00 1qm9 h ASP 177 Ca 0.01 -0.59 -0.01 0.00 -0.62 0.00 0.00 57.03 55.83 1qm9 h ASP 177 Cb 0.62 -0.03 -0.03 0.00 0.18 0.00 0.00 39.33 40.08 1qm9 h ASP 177 CO 0.02 0.67 0.34 -0.07 -3.12 0.00 0.00 179.24 177.08 1qm9 h LEU 178 N -0.47 0.69 -3.73 1.55 3.38 0.26 -2.93 115.31 114.07 1qm9 h LEU 178 Ca -0.00 -0.07 -0.51 0.00 0.09 0.00 0.00 57.88 57.40 1qm9 h LEU 178 Cb 0.65 -0.18 -0.32 0.00 0.09 0.00 0.00 40.66 40.91 1qm9 h LEU 178 CO 0.01 0.56 -0.18 1.41 0.09 0.00 0.00 178.44 180.33 1qm9 n HIS 179 N -4.63 2.52 -0.33 1.13 8.25 -0.88 -4.75 115.22 116.53 1qm9 n HIS 179 Ca 0.04 -2.32 0.01 0.00 -0.26 0.00 0.00 57.72 55.19 1qm9 n HIS 179 Cb 0.06 -0.69 0.18 0.00 1.12 0.00 0.00 29.99 30.66 1qm9 n HIS 179 CO 0.00 0.00 0.00 -0.97 0.64 0.00 0.00 176.34 176.01 1qm9 h ASN 180 N 1.87 1.03 -3.76 0.41 -0.73 0.17 -3.37 115.58 111.19 1qm9 h ASN 180 Ca 0.41 -0.01 -0.67 0.00 1.87 0.00 0.00 56.30 57.89 1qm9 h ASN 180 Cb 1.37 -0.24 -0.36 0.00 0.27 0.00 0.00 38.32 39.35 1qm9 h ASN 180 CO 0.91 0.71 -0.73 -2.28 -0.37 0.00 0.00 177.43 175.68 1qm9 s HIS 181 N -6.01 3.42 0.00 0.67 2.46 -1.26 -5.02 115.29 109.55 1qm9 s HIS 181 Ca -0.12 -2.38 0.00 0.00 0.47 0.00 0.00 55.06 53.03 1qm9 s HIS 181 Cb 0.19 -2.36 0.00 0.00 -0.13 0.00 0.00 32.58 30.28 1qm9 s HIS 181 CO 0.81 -0.89 0.00 -0.40 -2.47 0.00 0.00 174.74 171.79 1qm9 n ASP 182 N 4.46 1.40 0.00 9.88 5.75 -1.26 -5.08 116.55 131.69 1qm9 n ASP 182 Ca -0.08 -0.20 0.00 0.00 -0.01 0.00 0.00 54.79 54.50 1qm9 n ASP 182 Cb 0.42 0.00 0.00 0.00 -1.03 0.00 0.00 41.12 40.51 1qm9 n ASP 182 CO 0.00 0.00 0.00 0.00 -0.11 0.00 0.00 177.20 177.09 1qm9 n LEU 183 N 0.00 0.00 0.00 -2.12 -0.00 -1.26 -5.07 117.00 108.55 1qm9 n LEU 183 Ca 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 56.01 56.01 1qm9 n LEU 183 Cb 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 43.42 43.42 1qm9 n LEU 183 CO 0.00 0.00 0.00 0.61 -0.00 0.00 0.00 177.39 178.00 1qm9 n GLY 184 N 2.12 -1.16 0.40 1.47 0.00 -1.26 -4.92 105.19 101.83 1qm9 n GLY 184 Ca 0.00 0.40 0.21 0.00 0.00 0.00 0.00 46.02 46.64 1qm9 n GLY 184 CO 0.00 0.00 0.00 -2.09 0.00 0.00 0.00 173.32 171.23 1qm9 h GLU 185 N 0.00 0.00 -0.07 1.61 4.81 -2.06 -3.44 114.58 115.44 1qm9 h GLU 185 Ca 0.00 0.00 -0.03 0.00 -0.13 0.00 0.00 59.36 59.20 1qm9 h GLU 185 Cb 0.00 0.00 -0.01 0.00 0.63 0.00 0.00 28.75 29.37 1qm9 h GLU 185 CO 0.00 0.00 -0.03 -1.71 -0.73 0.00 0.00 179.01 176.54 1qm9 n ASN 186 N -3.69 -5.08 -0.69 1.04 4.05 -1.26 -4.74 115.26 104.89 1qm9 n ASN 186 Ca 0.09 0.04 0.05 0.00 0.45 0.00 0.00 54.58 55.20 1qm9 n ASN 186 Cb 0.70 -2.70 -0.01 0.00 1.23 0.00 0.00 39.78 39.00 1qm9 n ASN 186 CO 0.00 0.00 0.00 1.41 -3.05 0.00 0.00 177.26 175.62 1qm9 n HIS 187 N -2.32 -2.12 0.91 1.20 8.25 -1.26 -4.34 115.22 115.53 1qm9 n HIS 187 Ca -0.01 0.41 0.11 0.00 -0.26 0.00 0.00 57.72 57.96 1qm9 n HIS 187 Cb 0.36 -0.65 0.06 0.00 1.12 0.00 0.00 29.99 30.88 1qm9 n HIS 187 CO 0.00 0.00 0.00 1.58 0.64 0.00 0.00 176.34 178.56 1qm9 n HIS 188 N -1.85 0.00 -2.46 4.41 -0.00 -1.26 -4.91 115.22 109.15 1qm9 n HIS 188 Ca 0.00 0.00 -0.43 0.00 0.46 0.00 0.00 57.72 57.75 1qm9 n HIS 188 Cb 0.15 0.00 -0.02 0.00 -0.12 0.00 0.00 29.99 30.00 1qm9 n HIS 188 CO 0.00 0.00 0.00 -0.48 0.46 0.00 0.00 176.34 176.32 1qm9 s LEU 189 N -2.00 4.17 -0.08 0.27 0.05 -0.59 -4.06 118.68 116.45 1qm9 s LEU 189 Ca 0.22 1.64 0.02 0.00 0.05 0.00 0.00 54.13 56.06 1qm9 s LEU 189 Cb 0.18 -3.54 -0.02 0.00 -2.05 0.00 0.00 46.19 40.75 1qm9 s LEU 189 CO 0.36 -0.75 -0.13 -0.60 -0.55 0.00 0.00 176.35 174.68 1qm9 s ARG 190 N 3.46 2.79 -0.21 1.48 3.00 -1.19 -4.80 118.95 123.48 1qm9 s ARG 190 Ca 0.53 -0.67 -0.00 0.00 -1.00 0.00 0.00 55.73 54.59 1qm9 s ARG 190 Cb -0.21 -2.48 0.02 0.00 0.00 0.00 0.00 34.95 32.28 1qm9 s ARG 190 CO 0.13 0.51 -0.13 0.08 0.00 0.00 0.00 175.30 175.89 1qm9 s VAL 191 N -0.44 2.45 -0.00 7.11 1.01 -1.26 -0.48 120.40 128.79 1qm9 s VAL 191 Ca 0.05 -0.98 0.05 0.00 0.00 0.00 0.00 61.98 61.10 1qm9 s VAL 191 Cb -0.12 -2.15 -0.01 0.00 0.00 0.00 0.00 36.38 34.10 1qm9 s VAL 191 CO 0.02 0.38 -0.15 -0.94 0.00 0.00 0.00 175.10 174.41 1qm9 s SER 192 N 1.30 1.71 -0.19 3.32 1.04 -1.18 -4.92 113.70 114.79 1qm9 s SER 192 Ca 0.02 -0.29 -0.22 0.00 0.48 0.00 0.00 55.95 55.94 1qm9 s SER 192 Cb -0.15 -0.18 -0.02 0.00 0.10 0.00 0.00 66.02 65.77 1qm9 s SER 192 CO -0.09 0.16 0.68 0.72 0.98 0.00 0.00 173.24 175.69 1qm9 s PHE 193 N -0.42 3.38 0.06 5.02 -0.71 -1.26 -2.40 117.98 121.66 1qm9 s PHE 193 Ca 0.05 1.01 0.09 0.00 -1.04 0.00 0.00 56.93 57.04 1qm9 s PHE 193 Cb -0.06 -2.86 -0.03 0.00 -1.21 0.00 0.00 43.02 38.86 1qm9 s PHE 193 CO -0.00 -0.19 -0.24 0.45 -1.34 0.00 0.00 175.22 173.89 1qm9 s SER 194 N 1.19 2.87 -0.37 1.98 0.15 0.49 -4.96 113.70 115.05 1qm9 s SER 194 Ca 0.31 -0.60 -0.11 0.00 0.70 0.00 0.00 55.95 56.25 1qm9 s SER 194 Cb -0.16 -0.23 0.03 0.00 -1.71 0.00 0.00 66.02 63.95 1qm9 s SER 194 CO 0.11 0.19 0.20 -0.75 1.20 0.00 0.00 173.24 174.18 1qm9 s LYS 195 N -1.42 2.83 0.00 5.44 2.20 -1.26 -1.74 119.74 125.79 1qm9 s LYS 195 Ca 0.10 -1.07 0.00 0.00 -0.36 0.00 0.00 55.97 54.64 1qm9 s LYS 195 Cb -0.10 -3.71 0.00 0.00 -1.51 0.00 0.00 37.83 32.52 1qm9 s LYS 195 CO 0.03 -0.69 0.00 0.45 -0.36 0.00 0.00 175.35 174.78 1qm9 n SER 196 N 4.98 0.00 -4.81 1.43 2.88 -1.26 -5.05 113.62 111.79 1qm9 n SER 196 Ca -0.12 0.00 -0.31 0.00 -1.33 0.00 0.00 58.87 57.11 1qm9 n SER 196 Cb 0.46 0.00 0.04 0.00 -0.75 0.00 0.00 64.21 63.96 1qm9 n SER 196 CO 0.00 0.00 0.00 0.42 -1.23 0.00 0.00 175.04 174.23 1qm9 s THR 197 N 3.22 3.93 0.00 2.46 -4.23 -1.26 -5.09 115.64 114.67 1qm9 s THR 197 Ca 0.00 0.70 0.00 0.00 -1.18 0.00 0.00 61.69 61.21 1qm9 s THR 197 Cb 0.00 -3.37 0.00 0.00 1.34 0.00 0.00 72.50 70.47 1qm9 s THR 197 CO 0.00 -0.75 0.00 -0.38 -0.54 0.00 0.00 174.62 172.95