#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2qm9 h ASP 2 N 0.00 0.00 -0.05 0.00 3.32 -2.02 -0.96 116.42 116.71 2qm9 h ASP 2 Ca -0.00 0.00 0.01 0.00 0.02 0.00 0.00 57.03 57.06 2qm9 h ASP 2 Cb 0.64 0.00 -0.00 0.00 0.22 0.00 0.00 39.33 40.19 2qm9 h ASP 2 CO 0.04 0.00 0.07 0.00 -1.72 0.00 0.00 179.24 177.63 2qm9 h ALA 3 N 2.09 1.48 0.00 3.45 0.00 -1.97 -3.00 119.26 121.32 2qm9 h ALA 3 Ca 0.00 -0.00 -0.01 0.00 0.00 0.00 0.00 54.91 54.90 2qm9 h ALA 3 Cb 0.25 0.00 -0.00 0.00 0.00 0.00 0.00 17.79 18.04 2qm9 h ALA 3 CO 0.00 -0.09 -1.75 1.19 0.00 0.00 0.00 179.25 178.60 2qm9 n PHE 4 N -3.64 0.00 -2.19 0.00 3.72 -0.37 -4.98 117.46 110.00 2qm9 n PHE 4 Ca -0.02 0.00 -0.42 0.00 -0.05 0.00 0.00 57.45 56.97 2qm9 n PHE 4 Cb 0.15 -0.38 -0.03 0.00 -0.94 0.00 0.00 39.48 38.28 2qm9 n PHE 4 CO 0.00 0.00 0.00 0.08 -0.05 0.00 0.00 176.76 176.79 2qm9 s VAL 5 N -3.10 3.24 -5.00 -4.37 1.01 -1.13 -4.51 120.40 106.54 2qm9 s VAL 5 Ca -0.06 0.95 0.00 0.00 0.00 0.00 0.00 61.98 62.87 2qm9 s VAL 5 Cb 0.10 -3.61 0.00 0.00 0.00 0.00 0.00 36.38 32.87 2qm9 s VAL 5 CO 0.67 0.11 0.00 0.61 0.00 0.00 0.00 175.10 176.49 2qm9 n GLY 6 N 2.92 0.51 3.70 4.51 0.00 -0.47 -4.93 105.19 111.43 2qm9 n GLY 6 Ca 0.09 -1.86 -0.35 0.00 0.00 0.00 0.00 46.02 43.90 2qm9 n GLY 6 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 2qm9 s THR 7 N -1.30 5.18 -0.06 2.61 2.01 -1.26 -0.97 115.64 121.84 2qm9 s THR 7 Ca 0.00 0.11 0.03 0.00 0.31 0.00 0.00 61.69 62.14 2qm9 s THR 7 Cb 0.00 -3.35 0.00 0.00 0.01 0.00 0.00 72.50 69.17 2qm9 s THR 7 CO 0.00 0.46 -0.17 0.26 -0.69 0.00 0.00 174.62 174.48 2qm9 s TRP 8 N 0.30 1.78 -0.09 4.92 0.52 0.14 -1.67 118.94 124.84 2qm9 s TRP 8 Ca 0.06 -0.62 -0.02 0.00 0.02 0.00 0.00 56.10 55.55 2qm9 s TRP 8 Cb -0.12 -1.23 -0.03 0.00 -1.15 0.00 0.00 33.47 30.94 2qm9 s TRP 8 CO -0.01 -0.26 -0.01 -1.59 0.02 0.00 0.00 176.95 175.10 2qm9 s LYS 9 N 0.35 2.99 0.51 4.98 -2.85 0.38 -0.79 119.74 125.31 2qm9 s LYS 9 Ca -0.11 -0.43 -0.22 0.00 -1.00 0.00 0.00 55.97 54.21 2qm9 s LYS 9 Cb -0.15 -2.78 -0.06 0.00 -2.06 0.00 0.00 37.83 32.79 2qm9 s LYS 9 CO 0.04 0.68 1.30 -1.17 0.10 0.00 0.00 175.35 176.30 2qm9 s LEU 10 N -0.81 3.92 0.00 2.77 2.96 -1.11 -1.61 118.68 124.80 2qm9 s LEU 10 Ca 0.12 2.62 0.00 0.00 -0.22 0.00 0.00 54.13 56.66 2qm9 s LEU 10 Cb -0.11 -4.24 0.00 0.00 0.50 0.00 0.00 46.19 42.34 2qm9 s LEU 10 CO 0.02 -1.33 0.00 0.55 -1.32 0.00 0.00 176.35 174.27 2qm9 n VAL 11 N -0.79 0.00 -3.50 1.68 3.14 0.36 -4.86 118.33 114.36 2qm9 n VAL 11 Ca 0.09 0.00 -0.11 0.00 -2.96 0.00 0.00 64.34 61.36 2qm9 n VAL 11 Cb 0.46 -0.09 -0.03 0.00 -1.06 0.00 0.00 33.84 33.12 2qm9 n VAL 11 CO 0.00 0.00 0.00 -0.94 -6.46 0.00 0.00 176.83 169.43 2qm9 s SER 12 N -1.06 -0.46 -0.19 6.55 1.04 -1.11 -4.98 113.70 113.49 2qm9 s SER 12 Ca 0.00 -0.12 -0.08 0.00 0.48 0.00 0.00 55.95 56.23 2qm9 s SER 12 Cb 0.00 0.57 0.07 0.00 0.10 0.00 0.00 66.02 66.76 2qm9 s SER 12 CO 0.00 -0.95 0.43 -0.55 0.98 0.00 0.00 173.24 173.15 2qm9 s SER 13 N -2.77 -0.42 -0.05 7.02 0.15 -1.26 -2.11 113.70 114.25 2qm9 s SER 13 Ca 0.02 0.97 0.01 0.00 0.70 0.00 0.00 55.95 57.66 2qm9 s SER 13 Cb -0.00 1.07 0.02 0.00 -1.71 0.00 0.00 66.02 65.40 2qm9 s SER 13 CO -0.12 -0.21 -0.06 -1.61 1.20 0.00 0.00 173.24 172.43 2qm9 s GLU 14 N 1.98 1.04 -2.14 5.44 2.02 0.21 -4.83 118.70 122.43 2qm9 s GLU 14 Ca -0.06 -0.18 0.00 0.00 0.02 0.00 0.00 54.97 54.75 2qm9 s GLU 14 Cb -0.10 -0.97 0.00 0.00 0.10 0.00 0.00 34.13 33.16 2qm9 s GLU 14 CO -0.13 -0.05 0.00 0.09 0.02 0.00 0.00 175.26 175.19 2qm9 n ASN 15 N 3.98 -5.43 0.08 -0.19 3.02 -1.26 -1.43 115.26 114.02 2qm9 n ASN 15 Ca -0.25 0.50 -0.04 0.00 -0.03 0.00 0.00 54.58 54.76 2qm9 n ASN 15 Cb 0.51 -4.70 0.16 0.00 -0.61 0.00 0.00 39.78 35.14 2qm9 n ASN 15 CO 0.00 0.00 0.00 0.15 -2.62 0.00 0.00 177.26 174.79 2qm9 h PHE 16 N 0.00 0.35 0.43 3.10 3.57 -1.89 -2.56 116.94 119.94 2qm9 h PHE 16 Ca -0.41 -0.11 -0.02 0.00 3.53 0.00 0.00 57.97 60.95 2qm9 h PHE 16 Cb 1.31 -0.07 0.00 0.00 2.79 0.00 0.00 35.95 39.99 2qm9 h PHE 16 CO 0.57 0.73 -0.21 0.22 -2.23 0.00 0.00 178.31 177.40 2qm9 h ASP 17 N 0.22 -0.49 -0.74 0.41 3.58 -1.94 -1.83 116.42 115.63 2qm9 h ASP 17 Ca 0.01 -0.07 0.14 0.00 0.42 0.00 0.00 57.03 57.53 2qm9 h ASP 17 Cb 0.97 0.13 -0.05 0.00 1.72 0.00 0.00 39.33 42.10 2qm9 h ASP 17 CO 0.08 -0.21 0.49 0.44 -2.88 0.00 0.00 179.24 177.16 2qm9 h ASP 18 N -0.76 0.40 -0.06 2.28 3.32 -1.95 -1.18 116.42 118.48 2qm9 h ASP 18 Ca -0.06 0.02 -0.04 0.00 0.02 0.00 0.00 57.03 56.97 2qm9 h ASP 18 Cb 0.53 -0.06 0.00 0.00 0.22 0.00 0.00 39.33 40.02 2qm9 h ASP 18 CO 0.10 0.21 -0.11 0.22 -1.72 0.00 0.00 179.24 177.94 2qm9 h TYR 19 N 0.43 0.23 -0.34 4.55 3.20 -1.34 -2.63 116.97 121.07 2qm9 h TYR 19 Ca 0.36 -0.08 0.02 0.00 3.14 0.00 0.00 58.73 62.17 2qm9 h TYR 19 Cb 0.80 -0.04 -0.02 0.00 1.54 0.00 0.00 36.73 39.01 2qm9 h TYR 19 CO -0.00 0.70 0.23 0.52 -1.64 0.00 0.00 178.16 177.97 2qm9 h MET 20 N -0.32 0.39 -0.19 1.82 2.86 -0.63 -2.24 114.93 116.63 2qm9 h MET 20 Ca 0.00 -0.02 -0.01 0.00 -2.06 0.00 0.00 59.70 57.61 2qm9 h MET 20 Cb 0.69 -0.09 -0.01 0.00 0.06 0.00 0.00 31.60 32.25 2qm9 h MET 20 CO 0.03 0.26 0.08 0.87 1.06 0.00 0.00 176.91 179.20 2qm9 h LYS 21 N 0.40 0.28 -0.93 1.72 6.56 -1.07 -1.35 116.57 122.17 2qm9 h LYS 21 Ca 0.13 -0.05 0.03 0.00 -1.06 0.00 0.00 60.65 59.70 2qm9 h LYS 21 Cb 0.04 -0.05 -0.05 0.00 -0.57 0.00 0.00 32.23 31.60 2qm9 h LYS 21 CO -0.03 0.35 0.61 0.93 -2.06 0.00 0.00 179.45 179.25 2qm9 h GLU 22 N 0.15 1.16 0.00 3.15 4.39 -1.24 -2.31 114.58 119.88 2qm9 h GLU 22 Ca 0.06 -0.07 -0.04 0.00 0.34 0.00 0.00 59.36 59.65 2qm9 h GLU 22 Cb 0.17 -0.26 -0.01 0.00 -0.10 0.00 0.00 28.75 28.55 2qm9 h GLU 22 CO -0.01 0.77 -0.20 0.28 -1.16 0.00 0.00 179.01 178.70 2qm9 h VAL 23 N 1.20 0.80 0.00 3.13 2.07 -0.83 -3.46 116.25 119.15 2qm9 h VAL 23 Ca 0.36 -0.78 0.00 0.00 0.82 0.00 0.00 66.70 67.10 2qm9 h VAL 23 Cb -0.04 1.47 0.00 0.00 -1.52 0.00 0.00 31.29 31.20 2qm9 h VAL 23 CO -0.10 0.19 0.00 0.61 0.02 0.00 0.00 177.57 178.29 2qm9 n GLY 24 N -0.58 1.00 3.77 2.17 0.00 -0.56 -5.08 105.19 105.91 2qm9 n GLY 24 Ca -0.02 -0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.60 2qm9 n GLY 24 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 2qm9 s VAL 25 N -2.00 2.62 0.78 1.61 1.01 -0.95 -5.01 120.40 118.47 2qm9 s VAL 25 Ca 0.00 0.60 -0.12 0.00 0.00 0.00 0.00 61.98 62.47 2qm9 s VAL 25 Cb 0.00 -3.37 0.06 0.00 0.00 0.00 0.00 36.38 33.07 2qm9 s VAL 25 CO 0.00 0.12 1.10 -0.83 0.00 0.00 0.00 175.10 175.50 2qm9 s GLY 26 N -0.55 1.62 0.11 4.51 0.00 -1.26 -4.68 107.32 107.07 2qm9 s GLY 26 Ca 0.52 -0.27 -0.28 0.00 0.00 0.00 0.00 44.72 44.69 2qm9 s GLY 26 CO 0.52 0.15 1.63 -2.75 0.00 0.00 0.00 173.10 172.66 2qm9 h PHE 27 N -1.01 -0.74 -0.69 1.90 3.57 -1.99 -0.16 116.94 117.82 2qm9 h PHE 27 Ca -0.47 0.01 0.00 0.00 3.53 0.00 0.00 57.97 61.05 2qm9 h PHE 27 Cb 1.27 0.30 -0.03 0.00 2.79 0.00 0.00 35.95 40.28 2qm9 h PHE 27 CO 0.46 -0.39 0.44 0.00 -2.23 0.00 0.00 178.31 176.59 2qm9 h ALA 28 N 0.15 0.88 -0.64 2.41 0.00 -2.00 -2.29 119.26 117.77 2qm9 h ALA 28 Ca 0.01 -0.06 -0.07 0.00 0.00 0.00 0.00 54.91 54.79 2qm9 h ALA 28 Cb 0.52 -0.28 -0.03 0.00 0.00 0.00 0.00 17.79 18.01 2qm9 h ALA 28 CO -0.12 0.33 0.12 1.15 0.00 0.00 0.00 179.25 180.72 2qm9 h THR 29 N 0.94 1.26 -0.65 0.00 2.02 -1.91 -2.77 112.91 111.80 2qm9 h THR 29 Ca 0.25 -1.00 0.00 0.00 0.77 0.00 0.00 66.41 66.44 2qm9 h THR 29 Cb -0.07 0.67 -0.03 0.00 -1.74 0.00 0.00 68.15 66.97 2qm9 h THR 29 CO -0.05 0.37 0.42 0.03 0.37 0.00 0.00 175.52 176.66 2qm9 h ARG 30 N 0.96 0.87 0.08 6.66 3.08 -0.49 -0.94 114.38 124.60 2qm9 h ARG 30 Ca 0.20 -0.06 -0.25 0.00 0.07 0.00 0.00 59.98 59.93 2qm9 h ARG 30 Cb 0.41 -0.19 -0.01 0.00 0.08 0.00 0.00 29.97 30.26 2qm9 h ARG 30 CO 0.01 0.59 -1.18 1.57 -1.07 0.00 0.00 179.97 179.89 2qm9 h LYS 31 N 0.89 0.17 -0.05 0.04 2.10 -1.37 -2.44 116.57 115.91 2qm9 h LYS 31 Ca 0.24 -0.29 -0.05 0.00 -2.00 0.00 0.00 60.65 58.54 2qm9 h LYS 31 Cb -0.08 0.11 0.00 0.00 -0.90 0.00 0.00 32.23 31.36 2qm9 h LYS 31 CO -0.05 1.13 -0.16 0.28 -2.00 0.00 0.00 179.45 178.65 2qm9 h VAL 32 N 0.05 1.45 -0.54 0.07 2.07 -1.25 -3.11 116.25 114.99 2qm9 h VAL 32 Ca -0.10 -1.56 0.04 0.00 0.82 0.00 0.00 66.70 65.90 2qm9 h VAL 32 Cb 1.90 2.34 -0.03 0.00 -1.52 0.00 0.00 31.29 33.98 2qm9 h VAL 32 CO 0.17 0.43 0.36 0.00 0.02 0.00 0.00 177.57 178.56 2qm9 h ALA 33 N 0.43 1.79 0.00 1.67 0.00 -1.30 -2.82 119.26 119.04 2qm9 h ALA 33 Ca -0.01 -0.02 -0.02 0.00 0.00 0.00 0.00 54.91 54.86 2qm9 h ALA 33 Cb 0.79 -0.15 -0.00 0.00 0.00 0.00 0.00 17.79 18.42 2qm9 h ALA 33 CO 0.03 0.14 -0.11 0.78 0.00 0.00 0.00 179.25 180.09 2qm9 h GLY 34 N 0.57 0.00 0.37 0.00 0.00 -1.37 -3.16 103.07 99.48 2qm9 h GLY 34 Ca 0.22 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.55 2qm9 h GLY 34 CO -0.06 0.00 -0.58 1.03 0.00 0.00 0.00 176.54 176.93 2qm9 n MET 35 N -3.29 0.30 -0.04 4.80 2.81 -1.06 -4.75 117.12 115.89 2qm9 n MET 35 Ca -0.00 -0.21 -0.15 0.00 -1.81 0.00 0.00 57.70 55.53 2qm9 n MET 35 Cb 0.34 -1.50 -0.08 0.00 -0.71 0.00 0.00 33.22 31.28 2qm9 n MET 35 CO 0.00 0.00 0.00 0.00 1.51 0.00 0.00 175.97 177.48 2qm9 h ALA 36 N 3.23 0.20 -5.37 3.04 0.00 -1.60 -3.49 119.26 115.28 2qm9 h ALA 36 Ca 0.00 -0.47 -0.12 0.00 0.00 0.00 0.00 54.91 54.32 2qm9 h ALA 36 Cb 0.53 -0.02 0.09 0.00 0.00 0.00 0.00 17.79 18.39 2qm9 h ALA 36 CO 0.00 0.33 -0.40 1.63 0.00 0.00 0.00 179.25 180.81 2qm9 n LYS 37 N -4.30 -1.73 -2.26 0.00 5.02 -1.26 -4.72 118.16 108.91 2qm9 n LYS 37 Ca -0.08 1.19 -0.32 0.00 -2.02 0.00 0.00 58.31 57.08 2qm9 n LYS 37 Cb 0.55 -5.74 -0.02 0.00 -0.02 0.00 0.00 35.03 29.81 2qm9 n LYS 37 CO 0.00 0.00 0.00 -1.25 -0.52 0.00 0.00 177.40 175.63 2qm9 s PRO 38 N -3.65 3.78 0.33 1.97 0.04 -1.26 -4.73 135.00 131.48 2qm9 s PRO 38 Ca 0.21 0.98 -0.19 0.00 0.04 0.00 0.00 61.00 62.04 2qm9 s PRO 38 Cb -0.03 -2.11 -0.09 0.00 0.04 0.00 0.00 34.50 32.31 2qm9 s PRO 38 CO 0.73 -0.42 0.81 -0.80 0.04 0.00 0.00 177.00 177.37 2qm9 s ASN 39 N -3.16 6.94 -0.11 6.66 0.02 -0.79 -2.73 114.94 121.77 2qm9 s ASN 39 Ca 0.59 1.47 0.03 0.00 -1.02 0.00 0.00 52.86 53.93 2qm9 s ASN 39 Cb -0.11 -2.45 0.01 0.00 0.02 0.00 0.00 41.25 38.72 2qm9 s ASN 39 CO 0.35 -0.18 -0.20 -0.32 0.02 0.00 0.00 177.10 176.78 2qm9 s MET 40 N -2.71 2.64 -0.11 -0.60 1.75 0.03 -1.11 119.30 119.19 2qm9 s MET 40 Ca 0.53 -0.73 0.04 0.00 -1.25 0.00 0.00 55.69 54.28 2qm9 s MET 40 Cb -0.12 -2.11 0.00 0.00 2.84 0.00 0.00 34.83 35.44 2qm9 s MET 40 CO 0.18 0.05 -0.23 0.42 -0.65 0.00 0.00 175.02 174.78 2qm9 s ILE 41 N 0.68 2.02 -0.09 10.11 1.01 0.14 -0.68 121.20 134.38 2qm9 s ILE 41 Ca -0.12 -0.99 0.04 0.00 0.00 0.00 0.00 60.65 59.58 2qm9 s ILE 41 Cb -0.16 -1.75 0.00 0.00 0.01 0.00 0.00 42.46 40.55 2qm9 s ILE 41 CO 0.03 0.55 -0.23 -0.63 0.00 0.00 0.00 174.94 174.66 2qm9 s ILE 42 N 0.45 1.94 0.09 2.92 1.01 -0.14 -0.67 121.20 126.79 2qm9 s ILE 42 Ca -0.16 -0.95 0.00 0.00 0.00 0.00 0.00 60.65 59.53 2qm9 s ILE 42 Cb -0.17 -1.68 -0.04 0.00 0.01 0.00 0.00 42.46 40.58 2qm9 s ILE 42 CO 0.07 0.53 -0.03 -0.94 0.00 0.00 0.00 174.94 174.57 2qm9 s SER 43 N 0.33 0.77 -0.03 3.58 1.04 -0.52 -1.37 113.70 117.50 2qm9 s SER 43 Ca -0.17 -1.04 0.00 0.00 0.48 0.00 0.00 55.95 55.22 2qm9 s SER 43 Cb -0.17 0.17 0.03 0.00 0.10 0.00 0.00 66.02 66.14 2qm9 s SER 43 CO 0.08 -0.56 0.00 -0.69 0.98 0.00 0.00 173.24 173.05 2qm9 s VAL 44 N -3.80 0.16 -0.29 5.02 1.01 -1.26 -0.69 120.40 120.55 2qm9 s VAL 44 Ca 0.12 0.10 -0.00 0.00 0.00 0.00 0.00 61.98 62.20 2qm9 s VAL 44 Cb 0.07 -0.27 0.09 0.00 0.00 0.00 0.00 36.38 36.27 2qm9 s VAL 44 CO -0.06 0.15 0.07 0.21 0.00 0.00 0.00 175.10 175.47 2qm9 s ASN 45 N 1.08 3.93 1.81 3.32 2.47 -0.08 -5.02 114.94 122.45 2qm9 s ASN 45 Ca -0.09 -1.52 0.00 0.00 0.42 0.00 0.00 52.86 51.67 2qm9 s ASN 45 Cb -0.13 -0.94 0.00 0.00 -1.45 0.00 0.00 41.25 38.73 2qm9 s ASN 45 CO -0.02 -0.38 0.00 0.61 -3.72 0.00 0.00 177.10 173.60 2qm9 n GLY 46 N 4.80 3.40 0.66 1.21 0.00 -1.26 -1.65 105.19 112.35 2qm9 n GLY 46 Ca -0.04 -0.11 0.12 0.00 0.00 0.00 0.00 46.02 45.99 2qm9 n GLY 46 CO 0.00 0.00 0.00 2.09 0.00 0.00 0.00 173.32 175.41 2qm9 n ASP 47 N 6.86 2.01 -4.67 1.61 3.85 -1.26 -4.86 116.55 120.08 2qm9 n ASP 47 Ca 0.00 -1.71 -0.39 0.00 -0.71 0.00 0.00 54.79 51.98 2qm9 n ASP 47 Cb 0.00 -0.07 -0.07 0.00 -1.35 0.00 0.00 41.12 39.63 2qm9 n ASP 47 CO 0.00 0.00 0.00 -0.22 -1.01 0.00 0.00 177.20 175.97 2qm9 s LEU 48 N -1.76 4.16 -0.01 -2.12 2.96 -0.66 -4.40 118.68 116.86 2qm9 s LEU 48 Ca 0.34 0.69 0.01 0.00 -0.22 0.00 0.00 54.13 54.96 2qm9 s LEU 48 Cb 0.20 -2.71 -0.04 0.00 0.50 0.00 0.00 46.19 44.14 2qm9 s LEU 48 CO 0.30 -0.16 0.01 -0.69 -1.32 0.00 0.00 176.35 174.50 2qm9 s VAL 49 N 1.50 4.24 -0.07 1.68 1.01 -0.15 -0.90 120.40 127.70 2qm9 s VAL 49 Ca 0.24 -0.56 0.01 0.00 0.00 0.00 0.00 61.98 61.67 2qm9 s VAL 49 Cb -0.15 -2.89 0.02 0.00 0.00 0.00 0.00 36.38 33.35 2qm9 s VAL 49 CO 0.10 0.38 -0.07 -0.89 0.00 0.00 0.00 175.10 174.62 2qm9 s THR 50 N -1.09 0.82 -0.26 3.92 2.01 0.13 -1.07 115.64 120.10 2qm9 s THR 50 Ca 0.20 -0.23 -0.05 0.00 0.31 0.00 0.00 61.69 61.91 2qm9 s THR 50 Cb -0.12 -0.83 0.00 0.00 0.01 0.00 0.00 72.50 71.57 2qm9 s THR 50 CO 0.10 0.31 0.02 -0.63 -0.69 0.00 0.00 174.62 173.73 2qm9 s ILE 51 N 1.22 3.64 0.01 1.82 1.01 -0.40 -1.44 121.20 127.06 2qm9 s ILE 51 Ca -0.05 -0.64 -0.01 0.00 0.00 0.00 0.00 60.65 59.94 2qm9 s ILE 51 Cb -0.14 -2.80 -0.04 0.00 0.01 0.00 0.00 42.46 39.50 2qm9 s ILE 51 CO -0.02 0.22 0.17 -0.13 0.00 0.00 0.00 174.94 175.18 2qm9 s ARG 52 N 1.47 3.35 -0.05 2.79 0.52 0.16 -1.56 118.95 125.62 2qm9 s ARG 52 Ca 0.03 -0.40 0.02 0.00 -0.52 0.00 0.00 55.73 54.87 2qm9 s ARG 52 Cb -0.16 -3.02 0.02 0.00 0.52 0.00 0.00 34.95 32.30 2qm9 s ARG 52 CO -0.00 0.65 -0.09 0.45 0.02 0.00 0.00 175.30 176.32 2qm9 s SER 53 N -2.06 1.45 -0.05 0.23 0.15 -0.59 -0.68 113.70 112.14 2qm9 s SER 53 Ca 0.28 -0.23 0.01 0.00 0.70 0.00 0.00 55.95 56.71 2qm9 s SER 53 Cb -0.13 -0.66 0.02 0.00 -1.71 0.00 0.00 66.02 63.54 2qm9 s SER 53 CO 0.20 0.01 -0.05 -1.61 1.20 0.00 0.00 173.24 172.99 2qm9 s GLU 54 N 0.71 0.88 0.25 5.44 2.02 -0.26 -1.06 118.70 126.67 2qm9 s GLU 54 Ca -0.13 -0.11 -0.15 0.00 0.02 0.00 0.00 54.97 54.60 2qm9 s GLU 54 Cb -0.15 -0.89 0.06 0.00 0.10 0.00 0.00 34.13 33.25 2qm9 s GLU 54 CO 0.02 -0.09 0.76 -1.13 0.02 0.00 0.00 175.26 174.84 2qm9 n SER 55 N 4.10 -1.72 0.01 -0.19 3.41 -1.09 -1.88 113.62 116.27 2qm9 n SER 55 Ca -0.24 -2.07 0.02 0.00 -0.26 0.00 0.00 58.87 56.32 2qm9 n SER 55 Cb 0.51 2.83 0.37 0.00 -0.26 0.00 0.00 64.21 67.66 2qm9 n SER 55 CO 0.00 0.00 0.00 0.71 -0.16 0.00 0.00 175.04 175.59 2qm9 h THR 56 N 1.83 1.15 0.60 6.66 1.35 -1.95 -3.19 112.91 119.37 2qm9 h THR 56 Ca -0.26 -0.50 -0.03 0.00 -0.55 0.00 0.00 66.41 65.08 2qm9 h THR 56 Cb 1.02 0.76 0.01 0.00 -1.73 0.00 0.00 68.15 68.21 2qm9 h THR 56 CO 0.33 0.18 -0.29 0.15 -0.25 0.00 0.00 175.52 175.65 2qm9 h PHE 57 N 0.50 -0.75 -2.04 4.73 3.57 -1.92 -3.48 116.94 117.55 2qm9 h PHE 57 Ca 0.12 -0.02 -0.05 0.00 3.53 0.00 0.00 57.97 61.55 2qm9 h PHE 57 Cb 0.15 0.25 -0.20 0.00 2.79 0.00 0.00 35.95 38.93 2qm9 h PHE 57 CO 0.01 -0.46 0.15 0.21 -2.23 0.00 0.00 178.31 175.98 2qm9 s LYS 58 N -4.40 0.95 -0.23 1.11 2.20 -1.20 -5.08 119.74 113.09 2qm9 s LYS 58 Ca -0.12 0.56 -0.11 0.00 -0.36 0.00 0.00 55.97 55.94 2qm9 s LYS 58 Cb 0.01 0.45 -0.05 0.00 -1.51 0.00 0.00 37.83 36.74 2qm9 s LYS 58 CO 0.35 -0.23 0.19 -0.80 -0.36 0.00 0.00 175.35 174.51 2qm9 s ASN 59 N -0.51 6.18 0.22 1.43 0.01 -1.26 -2.66 114.94 118.34 2qm9 s ASN 59 Ca -0.06 0.20 0.05 0.00 -0.71 0.00 0.00 52.86 52.34 2qm9 s ASN 59 Cb -0.02 -2.12 -0.05 0.00 0.41 0.00 0.00 41.25 39.47 2qm9 s ASN 59 CO 0.06 0.07 -0.07 0.42 -1.51 0.00 0.00 177.10 176.07 2qm9 s THR 60 N 0.95 1.33 -0.24 1.60 -4.23 -0.23 -5.00 115.64 109.82 2qm9 s THR 60 Ca 0.09 -2.09 -0.11 0.00 -1.18 0.00 0.00 61.69 58.40 2qm9 s THR 60 Cb -0.13 -2.19 0.09 0.00 1.34 0.00 0.00 72.50 71.61 2qm9 s THR 60 CO 0.04 -0.47 0.56 -0.70 -0.54 0.00 0.00 174.62 173.50 2qm9 s GLU 61 N -3.76 0.53 -0.11 3.99 2.12 -1.26 -1.54 118.70 118.65 2qm9 s GLU 61 Ca 0.25 1.14 -0.01 0.00 0.36 0.00 0.00 54.97 56.71 2qm9 s GLU 61 Cb 0.03 0.32 -0.03 0.00 0.26 0.00 0.00 34.13 34.71 2qm9 s GLU 61 CO 0.07 -0.18 -0.06 0.96 -0.54 0.00 0.00 175.26 175.51 2qm9 s ILE 62 N 2.09 3.77 -0.10 -3.70 -4.36 -0.60 -5.00 121.20 113.29 2qm9 s ILE 62 Ca -0.07 -0.43 0.01 0.00 -0.26 0.00 0.00 60.65 59.90 2qm9 s ILE 62 Cb -0.09 -2.60 -0.02 0.00 1.25 0.00 0.00 42.46 41.01 2qm9 s ILE 62 CO -0.17 0.55 -0.14 -0.44 0.24 0.00 0.00 174.94 174.98 2qm9 s SER 63 N -0.18 4.01 0.03 4.36 0.01 -1.26 -1.28 113.70 119.39 2qm9 s SER 63 Ca 0.03 -0.28 -0.27 0.00 1.31 0.00 0.00 55.95 56.73 2qm9 s SER 63 Cb -0.13 -1.34 0.09 0.00 0.21 0.00 0.00 66.02 64.85 2qm9 s SER 63 CO 0.03 0.23 0.74 0.72 0.41 0.00 0.00 173.24 175.37 2qm9 s PHE 64 N -0.04 -0.50 -0.09 2.43 -0.71 -0.23 -4.97 117.98 113.88 2qm9 s PHE 64 Ca -0.03 0.52 -0.10 0.00 -1.04 0.00 0.00 56.93 56.28 2qm9 s PHE 64 Cb -0.14 0.51 -0.05 0.00 -1.21 0.00 0.00 43.02 42.13 2qm9 s PHE 64 CO 0.04 -0.65 0.24 0.15 -1.34 0.00 0.00 175.22 173.65 2qm9 s LYS 65 N -2.66 3.71 0.15 1.99 1.02 -1.26 -0.98 119.74 121.70 2qm9 s LYS 65 Ca -0.01 0.05 -0.34 0.00 0.02 0.00 0.00 55.97 55.69 2qm9 s LYS 65 Cb -0.01 -3.24 -0.15 0.00 -0.52 0.00 0.00 37.83 33.92 2qm9 s LYS 65 CO -0.05 0.67 1.40 1.28 -0.92 0.00 0.00 175.35 177.73 2qm9 n LEU 66 N 2.17 2.33 -0.00 3.17 4.77 -1.26 -2.62 117.00 125.56 2qm9 n LEU 66 Ca -0.17 1.12 -0.00 0.00 -0.03 0.00 0.00 56.01 56.92 2qm9 n LEU 66 Cb 0.54 -1.31 -0.00 0.00 -2.33 0.00 0.00 43.42 40.32 2qm9 n LEU 66 CO 0.34 -0.76 -0.00 0.61 -1.33 0.00 0.00 177.39 176.25 2qm9 n GLY 67 N 2.65 0.48 3.04 -0.72 0.00 0.41 -5.00 105.19 106.05 2qm9 n GLY 67 Ca 0.16 -0.02 -0.31 0.00 0.00 0.00 0.00 46.02 45.85 2qm9 n GLY 67 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 2qm9 s VAL 68 N -1.97 1.86 0.28 1.61 1.01 -1.08 -4.99 120.40 117.11 2qm9 s VAL 68 Ca 0.00 -1.16 -0.30 0.00 0.00 0.00 0.00 61.98 60.52 2qm9 s VAL 68 Cb 0.00 -1.89 -0.13 0.00 0.00 0.00 0.00 36.38 34.35 2qm9 s VAL 68 CO 0.00 0.18 1.29 1.21 0.00 0.00 0.00 175.10 177.78 2qm9 n GLU 69 N 4.61 1.89 -3.95 2.72 2.13 -1.26 -4.65 120.64 122.12 2qm9 n GLU 69 Ca -0.16 0.67 -0.08 0.00 0.66 0.00 0.00 57.16 58.25 2qm9 n GLU 69 Cb 0.46 -2.25 -0.09 0.00 0.27 0.00 0.00 31.44 29.83 2qm9 n GLU 69 CO 0.00 0.00 0.00 -0.59 -0.41 0.00 0.00 177.13 176.13 2qm9 s PHE 70 N -0.56 0.28 0.18 4.31 -0.71 -0.38 -4.98 117.98 116.11 2qm9 s PHE 70 Ca 0.63 -0.69 -0.27 0.00 -1.04 0.00 0.00 56.93 55.56 2qm9 s PHE 70 Cb -0.65 -0.19 -0.08 0.00 -1.21 0.00 0.00 43.02 40.90 2qm9 s PHE 70 CO 0.55 -0.42 0.84 -0.51 -1.34 0.00 0.00 175.22 174.34 2qm9 s ASP 71 N -2.57 7.46 -0.01 1.98 1.01 -1.26 -1.72 116.67 121.57 2qm9 s ASP 71 Ca 0.01 1.73 -0.01 0.00 0.71 0.00 0.00 52.55 55.00 2qm9 s ASP 71 Cb 0.03 -2.54 0.01 0.00 1.01 0.00 0.00 42.92 41.43 2qm9 s ASP 71 CO -0.08 0.17 0.03 -0.70 0.21 0.00 0.00 175.17 174.80 2qm9 s GLU 72 N -1.02 0.02 -0.33 8.23 2.12 -0.81 -4.94 118.70 121.97 2qm9 s GLU 72 Ca 0.38 0.07 -0.10 0.00 0.36 0.00 0.00 54.97 55.68 2qm9 s GLU 72 Cb -0.24 -0.03 0.00 0.00 0.26 0.00 0.00 34.13 34.12 2qm9 s GLU 72 CO 0.28 -0.03 0.17 0.42 -0.54 0.00 0.00 175.26 175.56 2qm9 s ILE 73 N 0.21 4.65 0.88 -3.70 -1.09 -1.26 -1.19 121.20 119.69 2qm9 s ILE 73 Ca -0.02 -0.53 -0.12 0.00 -2.23 0.00 0.00 60.65 57.76 2qm9 s ILE 73 Cb -0.02 -3.43 0.12 0.00 -1.58 0.00 0.00 42.46 37.54 2qm9 s ILE 73 CO -0.01 -0.02 1.10 0.42 -1.23 0.00 0.00 174.94 175.20 2qm9 s THR 74 N 1.60 2.62 0.38 2.92 -4.23 -0.57 -4.88 115.64 113.48 2qm9 s THR 74 Ca 0.04 0.20 0.22 0.00 -1.18 0.00 0.00 61.69 60.98 2qm9 s THR 74 Cb -0.18 -2.82 0.23 0.00 1.34 0.00 0.00 72.50 71.07 2qm9 s THR 74 CO 0.07 -0.26 1.98 0.00 -0.54 0.00 0.00 174.62 175.87 2qm9 h ALA 75 N -1.42 1.32 -0.34 3.99 0.00 -1.98 0.22 119.26 121.05 2qm9 h ALA 75 Ca -0.49 -0.17 0.00 0.00 0.00 0.00 0.00 54.91 54.24 2qm9 h ALA 75 Cb 1.29 -0.03 0.00 0.00 0.00 0.00 0.00 17.79 19.05 2qm9 h ALA 75 CO 0.58 0.24 0.00 -0.40 0.00 0.00 0.00 179.25 179.67 2qm9 n ASP 76 N -3.79 2.23 0.00 0.00 5.75 -1.26 -4.98 116.55 114.50 2qm9 n ASP 76 Ca -0.02 -1.90 0.00 0.00 -0.01 0.00 0.00 54.79 52.86 2qm9 n ASP 76 Cb 0.29 -0.22 0.00 0.00 -1.03 0.00 0.00 41.12 40.16 2qm9 n ASP 76 CO 0.00 0.00 0.00 0.47 -0.11 0.00 0.00 177.20 177.56 2qm9 n ASP 77 N 0.70 -2.76 -4.76 -1.12 9.92 0.07 -5.02 116.55 113.58 2qm9 n ASP 77 Ca 0.16 0.00 -0.41 0.00 -0.53 0.00 0.00 54.79 54.01 2qm9 n ASP 77 Cb 0.38 -0.46 -0.03 0.00 -0.64 0.00 0.00 41.12 40.37 2qm9 n ASP 77 CO 0.00 0.00 0.00 -0.13 0.13 0.00 0.00 177.20 177.20 2qm9 s ARG 78 N -1.53 4.51 -0.41 -1.24 0.52 -1.26 -4.83 118.95 114.70 2qm9 s ARG 78 Ca 0.00 1.96 -0.16 0.00 -0.52 0.00 0.00 55.73 57.02 2qm9 s ARG 78 Cb 0.00 -3.16 0.02 0.00 0.52 0.00 0.00 34.95 32.33 2qm9 s ARG 78 CO 0.00 0.00 0.34 0.21 0.02 0.00 0.00 175.30 175.87 2qm9 s LYS 79 N -1.24 3.01 0.37 3.54 2.20 -1.26 -1.51 119.74 124.84 2qm9 s LYS 79 Ca 0.48 -0.95 0.06 0.00 -0.36 0.00 0.00 55.97 55.21 2qm9 s LYS 79 Cb -0.35 -3.98 -0.07 0.00 -1.51 0.00 0.00 37.83 31.92 2qm9 s LYS 79 CO 0.44 -0.78 0.00 0.14 -0.36 0.00 0.00 175.35 174.79 2qm9 s VAL 80 N 1.81 1.77 -0.20 4.02 -7.23 -0.34 -4.78 120.40 115.46 2qm9 s VAL 80 Ca 0.07 -2.04 -0.06 0.00 -1.81 0.00 0.00 61.98 58.14 2qm9 s VAL 80 Cb -0.18 -2.85 -0.03 0.00 0.56 0.00 0.00 36.38 33.87 2qm9 s VAL 80 CO 0.11 -0.05 0.03 -0.54 -0.31 0.00 0.00 175.10 174.34 2qm9 s LYS 81 N -3.75 3.77 0.02 4.82 -0.14 -0.41 -1.93 119.74 122.11 2qm9 s LYS 81 Ca 0.35 -0.45 0.06 0.00 -1.36 0.00 0.00 55.97 54.57 2qm9 s LYS 81 Cb 0.08 -3.16 -0.03 0.00 -1.68 0.00 0.00 37.83 33.04 2qm9 s LYS 81 CO 0.17 0.10 -0.17 -1.12 -0.76 0.00 0.00 175.35 173.57 2qm9 s SER 82 N 0.81 3.87 -0.07 2.83 0.01 -0.70 -0.97 113.70 119.48 2qm9 s SER 82 Ca 0.02 -0.36 0.02 0.00 1.31 0.00 0.00 55.95 56.94 2qm9 s SER 82 Cb -0.14 -0.68 0.02 0.00 0.21 0.00 0.00 66.02 65.43 2qm9 s SER 82 CO 0.02 0.28 -0.11 -0.63 0.41 0.00 0.00 173.24 173.21 2qm9 s ILE 83 N -0.87 1.06 -0.10 1.44 1.01 -0.96 -1.25 121.20 121.52 2qm9 s ILE 83 Ca 0.14 -0.42 0.02 0.00 0.00 0.00 0.00 60.65 60.39 2qm9 s ILE 83 Cb -0.11 -0.99 -0.01 0.00 0.01 0.00 0.00 42.46 41.37 2qm9 s ILE 83 CO 0.04 0.34 -0.17 -0.63 0.00 0.00 0.00 174.94 174.52 2qm9 s ILE 84 N 0.81 2.71 0.17 2.92 1.01 -1.26 -1.38 121.20 126.18 2qm9 s ILE 84 Ca -0.12 -0.80 0.03 0.00 0.00 0.00 0.00 60.65 59.76 2qm9 s ILE 84 Cb -0.15 -2.09 -0.05 0.00 0.01 0.00 0.00 42.46 40.18 2qm9 s ILE 84 CO 0.02 0.55 -0.03 0.42 0.00 0.00 0.00 174.94 175.90 2qm9 s THR 85 N 0.12 0.89 -0.25 2.92 -4.23 -0.41 -0.44 115.64 114.24 2qm9 s THR 85 Ca -0.08 -2.01 -0.08 0.00 -1.18 0.00 0.00 61.69 58.34 2qm9 s THR 85 Cb -0.15 -2.07 -0.03 0.00 1.34 0.00 0.00 72.50 71.59 2qm9 s THR 85 CO 0.05 -0.54 0.08 -0.22 -0.54 0.00 0.00 174.62 173.45 2qm9 s LEU 86 N -3.19 3.50 -0.29 4.79 2.96 -1.26 -1.02 118.68 124.17 2qm9 s LEU 86 Ca 0.22 -0.18 0.03 0.00 -0.22 0.00 0.00 54.13 53.98 2qm9 s LEU 86 Cb 0.05 -1.94 0.18 0.00 0.50 0.00 0.00 46.19 44.98 2qm9 s LEU 86 CO 0.03 -0.03 0.54 -0.62 -1.32 0.00 0.00 176.35 174.95 2qm9 s ASP 87 N 1.59 -1.02 -1.29 3.68 -1.08 -0.25 -4.79 116.67 113.51 2qm9 s ASP 87 Ca 0.06 0.25 0.00 0.00 -0.52 0.00 0.00 52.55 52.34 2qm9 s ASP 87 Cb -0.15 1.81 0.00 0.00 -1.46 0.00 0.00 42.92 43.12 2qm9 s ASP 87 CO 0.04 -0.30 0.00 0.61 0.52 0.00 0.00 175.17 176.04 2qm9 n GLY 88 N 5.40 0.67 2.18 2.66 0.00 -1.26 -2.34 105.19 112.51 2qm9 n GLY 88 Ca 0.02 -0.36 0.00 0.00 0.00 0.00 0.00 46.02 45.67 2qm9 n GLY 88 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2qm9 n GLY 89 N -1.19 0.57 3.49 -0.02 0.00 -1.26 -5.03 105.19 101.75 2qm9 n GLY 89 Ca -0.15 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.56 2qm9 n GLY 89 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2qm9 s ALA 90 N -2.31 2.68 -0.28 4.61 0.00 -0.99 -4.76 121.76 120.71 2qm9 s ALA 90 Ca 0.00 -1.15 -0.29 0.00 0.00 0.00 0.00 51.96 50.52 2qm9 s ALA 90 Cb 0.00 -0.83 0.01 0.00 0.00 0.00 0.00 23.12 22.30 2qm9 s ALA 90 CO 0.00 0.58 1.08 -0.51 0.00 0.00 0.00 175.76 176.91 2qm9 s LEU 91 N -1.41 3.99 -0.21 0.00 1.43 -0.61 -1.09 118.68 120.79 2qm9 s LEU 91 Ca 0.15 1.19 -0.02 0.00 -1.03 0.00 0.00 54.13 54.42 2qm9 s LEU 91 Cb -0.11 -3.54 0.01 0.00 0.03 0.00 0.00 46.19 42.58 2qm9 s LEU 91 CO 0.06 -0.82 -0.11 -0.69 0.23 0.00 0.00 176.35 175.02 2qm9 s VAL 92 N 3.53 2.79 -0.17 -1.59 1.01 -0.19 -0.32 120.40 125.46 2qm9 s VAL 92 Ca 0.46 -0.74 -0.01 0.00 0.00 0.00 0.00 61.98 61.68 2qm9 s VAL 92 Cb -0.14 -2.26 -0.01 0.00 0.00 0.00 0.00 36.38 33.97 2qm9 s VAL 92 CO 0.13 0.44 -0.10 -1.58 0.00 0.00 0.00 175.10 173.98 2qm9 s GLN 93 N 1.38 3.35 -0.19 2.72 0.74 0.08 -1.29 119.66 126.45 2qm9 s GLN 93 Ca 0.05 -0.67 -0.06 0.00 0.05 0.00 0.00 55.36 54.73 2qm9 s GLN 93 Cb -0.14 -2.77 -0.03 0.00 1.10 0.00 0.00 33.01 31.17 2qm9 s GLN 93 CO -0.07 0.03 0.02 0.08 -0.55 0.00 0.00 175.29 174.80 2qm9 s VAL 94 N 0.84 4.28 -0.11 1.34 1.01 -0.48 -0.90 120.40 126.38 2qm9 s VAL 94 Ca -0.03 -0.21 -0.02 0.00 0.00 0.00 0.00 61.98 61.72 2qm9 s VAL 94 Cb -0.15 -2.93 -0.03 0.00 0.00 0.00 0.00 36.38 33.27 2qm9 s VAL 94 CO 0.01 0.44 -0.03 -1.10 0.00 0.00 0.00 175.10 174.41 2qm9 s GLN 95 N 0.74 3.22 -0.03 2.72 -0.21 -0.33 -2.25 119.66 123.52 2qm9 s GLN 95 Ca 0.01 -0.49 0.02 0.00 0.02 0.00 0.00 55.36 54.93 2qm9 s GLN 95 Cb -0.14 -2.80 0.00 0.00 1.00 0.00 0.00 33.01 31.08 2qm9 s GLN 95 CO 0.02 0.50 -0.08 0.15 -2.12 0.00 0.00 175.29 173.76 2qm9 s LYS 96 N -0.34 0.88 -0.25 2.91 1.02 -0.14 -1.92 119.74 121.90 2qm9 s LYS 96 Ca 0.06 -0.27 -0.26 0.00 0.02 0.00 0.00 55.97 55.52 2qm9 s LYS 96 Cb -0.12 -0.83 0.10 0.00 -0.52 0.00 0.00 37.83 36.46 2qm9 s LYS 96 CO 0.02 0.09 0.90 1.67 -0.92 0.00 0.00 175.35 177.11 2qm9 s TRP 97 N 0.25 -0.58 -1.32 3.18 -2.14 -0.90 -1.29 118.94 116.13 2qm9 s TRP 97 Ca -0.04 1.36 -0.23 0.00 2.66 0.00 0.00 56.10 59.85 2qm9 s TRP 97 Cb -0.09 0.34 0.03 0.00 -3.10 0.00 0.00 33.47 30.66 2qm9 s TRP 97 CO 0.00 -0.32 0.47 -0.25 -2.66 0.00 0.00 176.95 174.20 2qm9 n ASP 98 N 2.14 -2.51 0.00 -2.66 8.00 -1.26 -0.50 116.55 119.76 2qm9 n ASP 98 Ca -0.13 -1.27 0.00 0.00 0.71 0.00 0.00 54.79 54.09 2qm9 n ASP 98 Cb 0.56 -1.77 0.00 0.00 -0.02 0.00 0.00 41.12 39.88 2qm9 n ASP 98 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 2qm9 n GLY 99 N -2.22 1.16 3.97 0.44 0.00 -1.26 -4.97 105.19 102.31 2qm9 n GLY 99 Ca -0.18 0.00 -0.21 0.00 0.00 0.00 0.00 46.02 45.62 2qm9 n GLY 99 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2qm9 s LYS 100 N 0.00 3.36 0.00 1.61 1.02 0.34 -5.13 119.74 120.94 2qm9 s LYS 100 Ca 0.00 -0.69 -0.13 0.00 0.02 0.00 0.00 55.97 55.17 2qm9 s LYS 100 Cb 0.00 -2.80 0.02 0.00 -0.52 0.00 0.00 37.83 34.53 2qm9 s LYS 100 CO 0.00 0.24 0.26 -1.54 -0.92 0.00 0.00 175.35 173.40 2qm9 s SER 101 N -4.05 -0.11 0.01 2.83 1.04 -1.26 -2.13 113.70 110.04 2qm9 s SER 101 Ca 0.39 -0.06 0.01 0.00 0.48 0.00 0.00 55.95 56.77 2qm9 s SER 101 Cb -0.09 0.29 -0.01 0.00 0.10 0.00 0.00 66.02 66.31 2qm9 s SER 101 CO 0.32 -0.47 -0.04 0.28 0.98 0.00 0.00 173.24 174.31 2qm9 s THR 102 N -1.63 0.26 -0.17 2.02 -1.32 -0.81 -4.70 115.64 109.29 2qm9 s THR 102 Ca -0.12 -0.57 -0.02 0.00 -1.21 0.00 0.00 61.69 59.77 2qm9 s THR 102 Cb -0.05 -0.31 -0.01 0.00 -1.51 0.00 0.00 72.50 70.62 2qm9 s THR 102 CO 0.02 -0.20 -0.08 -0.89 -2.21 0.00 0.00 174.62 171.26 2qm9 s THR 103 N -0.76 3.28 -0.24 5.08 2.01 -0.68 -1.18 115.64 123.14 2qm9 s THR 103 Ca -0.06 -0.55 -0.04 0.00 0.31 0.00 0.00 61.69 61.34 2qm9 s THR 103 Cb -0.06 -2.44 0.00 0.00 0.01 0.00 0.00 72.50 70.02 2qm9 s THR 103 CO -0.00 0.48 -0.02 -0.63 -0.69 0.00 0.00 174.62 173.75 2qm9 s ILE 104 N 0.88 3.40 -0.21 1.82 1.01 -0.08 -0.63 121.20 127.38 2qm9 s ILE 104 Ca -0.02 -0.64 -0.06 0.00 0.00 0.00 0.00 60.65 59.93 2qm9 s ILE 104 Cb -0.15 -2.63 -0.03 0.00 0.01 0.00 0.00 42.46 39.67 2qm9 s ILE 104 CO 0.01 0.31 0.02 -0.75 0.00 0.00 0.00 174.94 174.52 2qm9 s LYS 105 N 1.45 3.63 -0.25 2.79 2.20 -0.18 -0.75 119.74 128.65 2qm9 s LYS 105 Ca 0.04 -0.50 -0.04 0.00 -0.36 0.00 0.00 55.97 55.10 2qm9 s LYS 105 Cb -0.15 -3.15 0.00 0.00 -1.51 0.00 0.00 37.83 33.03 2qm9 s LYS 105 CO -0.02 -0.03 -0.02 1.03 -0.36 0.00 0.00 175.35 175.95 2qm9 s ARG 106 N 1.14 3.19 0.02 4.03 0.52 0.56 -0.88 118.95 127.54 2qm9 s ARG 106 Ca 0.03 -0.76 0.02 0.00 -0.52 0.00 0.00 55.73 54.50 2qm9 s ARG 106 Cb -0.14 -3.10 -0.02 0.00 0.52 0.00 0.00 34.95 32.21 2qm9 s ARG 106 CO 0.02 -0.30 -0.06 -1.59 0.02 0.00 0.00 175.30 173.39 2qm9 s LYS 107 N 1.45 0.43 0.11 3.54 -2.85 -0.14 -1.57 119.74 120.71 2qm9 s LYS 107 Ca 0.04 -0.53 -0.23 0.00 -1.00 0.00 0.00 55.97 54.24 2qm9 s LYS 107 Cb -0.16 -0.23 -0.07 0.00 -2.06 0.00 0.00 37.83 35.31 2qm9 s LYS 107 CO -0.02 0.05 0.71 1.03 0.10 0.00 0.00 175.35 177.22 2qm9 s ARG 108 N -1.07 4.45 -0.24 1.78 1.81 -1.26 -0.10 118.95 124.31 2qm9 s ARG 108 Ca -0.07 1.01 -0.02 0.00 -1.72 0.00 0.00 55.73 54.93 2qm9 s ARG 108 Cb -0.07 -3.28 0.12 0.00 -0.45 0.00 0.00 34.95 31.27 2qm9 s ARG 108 CO -0.00 0.53 0.28 0.34 -0.68 0.00 0.00 175.30 175.77 2qm9 s ASP 109 N -0.89 1.21 1.66 0.23 -1.08 -0.78 -4.92 116.67 112.09 2qm9 s ASP 109 Ca 0.34 -0.30 0.00 0.00 -0.52 0.00 0.00 52.55 52.07 2qm9 s ASP 109 Cb -0.21 0.60 0.00 0.00 -1.46 0.00 0.00 42.92 41.84 2qm9 s ASP 109 CO 0.23 -0.34 0.00 0.61 0.52 0.00 0.00 175.17 176.19 2qm9 n GLY 110 N 5.33 3.39 0.43 2.66 0.00 -1.26 -2.10 105.19 113.64 2qm9 n GLY 110 Ca -0.04 -0.19 0.06 0.00 0.00 0.00 0.00 46.02 45.85 2qm9 n GLY 110 CO 0.00 0.00 0.00 2.09 0.00 0.00 0.00 173.32 175.41 2qm9 n ASP 111 N 3.67 1.27 -4.93 1.61 5.75 -1.26 -4.92 116.55 117.74 2qm9 n ASP 111 Ca 0.00 -1.85 -0.21 0.00 -0.01 0.00 0.00 54.79 52.72 2qm9 n ASP 111 Cb 0.00 -0.13 -0.02 0.00 -1.03 0.00 0.00 41.12 39.93 2qm9 n ASP 111 CO 0.00 0.00 0.00 -0.54 -0.11 0.00 0.00 177.20 176.55 2qm9 s LYS 112 N -1.74 3.27 -0.25 0.11 -0.14 -0.89 -4.35 119.74 115.74 2qm9 s LYS 112 Ca 0.22 -0.87 -0.03 0.00 -1.36 0.00 0.00 55.97 53.94 2qm9 s LYS 112 Cb 0.12 -2.79 0.02 0.00 -1.68 0.00 0.00 37.83 33.49 2qm9 s LYS 112 CO 0.17 0.38 -0.03 -1.17 -0.76 0.00 0.00 175.35 173.94 2qm9 s LEU 113 N -3.96 3.27 -0.17 3.17 0.20 0.17 -1.87 118.68 119.49 2qm9 s LEU 113 Ca 0.35 -0.76 -0.08 0.00 0.69 0.00 0.00 54.13 54.33 2qm9 s LEU 113 Cb -0.09 -1.72 -0.04 0.00 -0.43 0.00 0.00 46.19 43.91 2qm9 s LEU 113 CO 0.28 -0.12 0.09 -0.69 -0.29 0.00 0.00 176.35 175.62 2qm9 s VAL 114 N 1.38 5.03 -0.21 1.68 1.01 0.86 -0.86 120.40 129.29 2qm9 s VAL 114 Ca 0.02 0.05 0.00 0.00 0.00 0.00 0.00 61.98 62.05 2qm9 s VAL 114 Cb -0.16 -3.25 0.03 0.00 0.00 0.00 0.00 36.38 32.99 2qm9 s VAL 114 CO -0.03 0.49 -0.14 -0.69 0.00 0.00 0.00 175.10 174.73 2qm9 s VAL 115 N 0.06 2.36 -0.33 2.92 1.01 0.33 -0.97 120.40 125.78 2qm9 s VAL 115 Ca 0.07 -1.06 -0.03 0.00 0.00 0.00 0.00 61.98 60.96 2qm9 s VAL 115 Cb -0.12 -2.12 0.06 0.00 0.00 0.00 0.00 36.38 34.20 2qm9 s VAL 115 CO 0.00 0.35 0.07 -1.61 0.00 0.00 0.00 175.10 173.91 2qm9 s GLU 116 N 1.28 2.41 -0.15 2.72 2.02 -0.06 -1.43 118.70 125.48 2qm9 s GLU 116 Ca 0.01 -1.35 -0.12 0.00 0.02 0.00 0.00 54.97 53.53 2qm9 s GLU 116 Cb -0.15 -3.34 -0.05 0.00 0.10 0.00 0.00 34.13 30.69 2qm9 s GLU 116 CO -0.09 -0.72 0.25 0.00 0.02 0.00 0.00 175.26 174.73 2qm9 s VAL 118 N 0.19 1.02 -0.21 0.00 1.01 0.20 -1.37 120.40 121.23 2qm9 s VAL 118 Ca 0.15 -0.55 -0.06 0.00 0.00 0.00 0.00 61.98 61.53 2qm9 s VAL 118 Cb -0.13 -0.85 0.10 0.00 0.00 0.00 0.00 36.38 35.50 2qm9 s VAL 118 CO 0.03 0.29 0.42 -0.32 0.00 0.00 0.00 175.10 175.52 2qm9 s MET 119 N -0.27 0.34 -1.31 2.72 1.75 -0.93 -1.69 119.30 119.90 2qm9 s MET 119 Ca 0.04 0.94 -0.05 0.00 -1.25 0.00 0.00 55.69 55.37 2qm9 s MET 119 Cb -0.05 0.18 -0.00 0.00 2.84 0.00 0.00 34.83 37.79 2qm9 s MET 119 CO -0.00 -0.34 0.60 1.63 -0.65 0.00 0.00 175.02 176.25 2qm9 n LYS 120 N 5.39 -3.32 0.00 4.11 4.76 -1.26 -2.19 118.16 125.64 2qm9 n LYS 120 Ca -0.07 0.49 0.00 0.00 -2.87 0.00 0.00 58.31 55.86 2qm9 n LYS 120 Cb 0.50 -4.67 0.00 0.00 -1.84 0.00 0.00 35.03 29.02 2qm9 n LYS 120 CO 0.00 0.00 0.00 0.41 -1.37 0.00 0.00 177.40 176.44 2qm9 n GLY 121 N -1.77 2.67 3.62 0.72 0.00 -1.26 -5.00 105.19 104.16 2qm9 n GLY 121 Ca -0.26 -0.24 -0.43 0.00 0.00 0.00 0.00 46.02 45.10 2qm9 n GLY 121 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 2qm9 s VAL 122 N -1.46 4.56 -0.22 1.61 1.01 -0.93 -5.01 120.40 119.96 2qm9 s VAL 122 Ca 0.00 1.39 -0.04 0.00 0.00 0.00 0.00 61.98 63.33 2qm9 s VAL 122 Cb 0.00 -4.35 -0.01 0.00 0.00 0.00 0.00 36.38 32.01 2qm9 s VAL 122 CO 0.00 -0.51 -0.03 -0.89 0.00 0.00 0.00 175.10 173.67 2qm9 s THR 123 N 3.53 3.50 -0.07 3.92 2.01 -1.26 -2.20 115.64 125.06 2qm9 s THR 123 Ca 0.41 -0.45 -0.09 0.00 0.31 0.00 0.00 61.69 61.86 2qm9 s THR 123 Cb -0.12 -2.59 -0.05 0.00 0.01 0.00 0.00 72.50 69.75 2qm9 s THR 123 CO 0.17 0.42 0.22 -0.55 -0.69 0.00 0.00 174.62 174.20 2qm9 s SER 124 N 1.40 6.51 -0.07 3.53 0.15 -0.47 -4.74 113.70 120.01 2qm9 s SER 124 Ca 0.05 0.60 0.04 0.00 0.70 0.00 0.00 55.95 57.35 2qm9 s SER 124 Cb -0.14 -2.12 -0.00 0.00 -1.71 0.00 0.00 66.02 62.05 2qm9 s SER 124 CO -0.02 0.37 -0.20 -0.89 1.20 0.00 0.00 173.24 173.70 2qm9 s THR 125 N -1.08 1.70 -0.04 6.45 2.01 -0.52 -1.56 115.64 122.60 2qm9 s THR 125 Ca 0.19 -0.84 0.00 0.00 0.31 0.00 0.00 61.69 61.35 2qm9 s THR 125 Cb -0.13 -1.46 0.03 0.00 0.01 0.00 0.00 72.50 70.94 2qm9 s THR 125 CO 0.08 0.48 0.00 -0.13 -0.69 0.00 0.00 174.62 174.36 2qm9 s ARG 126 N 0.18 0.35 -0.11 4.92 0.52 -0.52 -0.62 118.95 123.69 2qm9 s ARG 126 Ca -0.10 0.09 0.01 0.00 -0.52 0.00 0.00 55.73 55.21 2qm9 s ARG 126 Cb -0.15 -0.57 -0.02 0.00 0.52 0.00 0.00 34.95 34.74 2qm9 s ARG 126 CO 0.05 -0.16 -0.14 0.08 0.02 0.00 0.00 175.30 175.14 2qm9 s VAL 127 N 1.21 2.98 0.06 3.52 1.01 -0.90 -0.51 120.40 127.78 2qm9 s VAL 127 Ca -0.07 -0.70 0.10 0.00 0.00 0.00 0.00 61.98 61.30 2qm9 s VAL 127 Cb -0.13 -2.22 -0.03 0.00 0.00 0.00 0.00 36.38 33.99 2qm9 s VAL 127 CO -0.02 0.54 -0.26 -0.31 0.00 0.00 0.00 175.10 175.05 2qm9 s TYR 128 N 0.07 2.29 0.36 5.22 1.51 -0.04 -0.48 117.35 126.27 2qm9 s TYR 128 Ca -0.06 -0.40 0.08 0.00 -1.01 0.00 0.00 57.07 55.68 2qm9 s TYR 128 Cb -0.15 -1.34 -0.05 0.00 -0.11 0.00 0.00 41.96 40.31 2qm9 s TYR 128 CO 0.05 0.17 0.07 -1.83 -1.11 0.00 0.00 175.55 172.90 2qm9 s GLU 129 N -1.42 2.16 0.59 -0.62 -1.05 -0.64 -0.65 118.70 117.07 2qm9 s GLU 129 Ca 0.12 -1.74 -0.18 0.00 -0.15 0.00 0.00 54.97 53.02 2qm9 s GLU 129 Cb -0.10 -1.98 -0.04 0.00 -0.44 0.00 0.00 34.13 31.58 2qm9 s GLU 129 CO 0.03 0.07 1.14 1.03 0.95 0.00 0.00 175.26 178.49 2qm9 s ARG 130 N -3.78 3.11 0.00 -4.83 0.52 -1.26 -0.47 118.95 112.24 2qm9 s ARG 130 Ca 0.37 1.62 0.28 0.00 -0.52 0.00 0.00 55.73 57.47 2qm9 s ARG 130 Cb 0.01 -1.97 1.08 0.00 0.52 0.00 0.00 34.95 34.59 2qm9 s ARG 130 CO 0.21 -1.05 1.76 0.00 0.02 0.00 0.00 175.30 176.24