#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1lkj n SER 2 N 0.00 0.00 -4.64 6.43 3.41 -1.26 -4.73 113.62 112.83 1lkj n SER 2 Ca 0.00 -0.60 -0.30 0.00 -0.26 0.00 0.00 58.87 57.71 1lkj n SER 2 Cb 0.00 0.00 0.18 0.00 -0.26 0.00 0.00 64.21 64.13 1lkj n SER 2 CO 0.00 0.00 0.00 0.20 -0.16 0.00 0.00 175.04 175.08 1lkj s ASN 3 N -0.00 2.66 0.26 4.04 -0.87 -1.26 -4.89 114.94 114.87 1lkj s ASN 3 Ca 0.00 1.87 -0.31 0.00 -1.57 0.00 0.00 52.86 52.86 1lkj s ASN 3 Cb 0.00 -2.44 -0.12 0.00 -0.02 0.00 0.00 41.25 38.68 1lkj s ASN 3 CO 0.00 -3.21 1.66 0.18 -2.57 0.00 0.00 177.10 173.16 1lkj n LEU 4 N -4.29 4.22 -4.92 0.60 4.77 -1.26 -4.99 117.00 111.14 1lkj n LEU 4 Ca 0.09 1.11 -0.29 0.00 -0.03 0.00 0.00 56.01 56.88 1lkj n LEU 4 Cb 0.53 -1.59 0.15 0.00 -2.33 0.00 0.00 43.42 40.18 1lkj n LEU 4 CO 0.53 0.18 0.83 0.42 -1.33 0.00 0.00 177.39 178.02 1lkj s THR 5 N 0.52 2.01 0.34 -5.08 -4.23 -1.26 -4.76 115.64 103.18 1lkj s THR 5 Ca 0.69 -0.02 0.02 0.00 -1.18 0.00 0.00 61.69 61.19 1lkj s THR 5 Cb -0.50 -2.99 0.25 0.00 1.34 0.00 0.00 72.50 70.61 1lkj s THR 5 CO 0.41 0.00 1.99 -0.33 -0.54 0.00 0.00 174.62 176.15 1lkj h GLU 6 N -1.39 0.85 0.22 3.99 5.08 -1.98 -0.40 114.58 120.95 1lkj h GLU 6 Ca -0.45 -0.06 -0.01 0.00 -1.00 0.00 0.00 59.36 57.84 1lkj h GLU 6 Cb 1.27 -0.19 0.00 0.00 0.50 0.00 0.00 28.75 30.34 1lkj h GLU 6 CO 0.48 0.58 -0.10 0.93 -1.00 0.00 0.00 179.01 179.90 1lkj h GLU 7 N 0.87 -0.28 -0.52 2.33 5.08 -1.98 0.46 114.58 120.53 1lkj h GLU 7 Ca 0.23 0.02 -0.03 0.00 -1.00 0.00 0.00 59.36 58.58 1lkj h GLU 7 Cb -0.06 0.06 -0.02 0.00 0.50 0.00 0.00 28.75 29.23 1lkj h GLU 7 CO -0.05 -0.10 0.20 1.96 -1.00 0.00 0.00 179.01 180.03 1lkj h GLN 8 N -0.40 0.78 -0.26 2.33 1.08 -1.85 -2.40 115.11 114.39 1lkj h GLN 8 Ca -0.03 -0.14 -0.08 0.00 -1.45 0.00 0.00 58.65 56.94 1lkj h GLN 8 Cb 0.31 -0.13 -0.01 0.00 -0.05 0.00 0.00 27.48 27.60 1lkj h GLN 8 CO 0.05 0.69 -0.20 0.82 -0.95 0.00 0.00 178.83 179.24 1lkj h ILE 9 N 0.70 1.25 -0.53 2.54 2.04 -0.95 -2.63 117.51 119.94 1lkj h ILE 9 Ca 0.17 -1.16 -0.05 0.00 1.00 0.00 0.00 64.86 64.83 1lkj h ILE 9 Cb 0.20 1.28 -0.02 0.00 -0.74 0.00 0.00 36.82 37.54 1lkj h ILE 9 CO -0.01 0.37 0.14 0.00 0.00 0.00 0.00 178.15 178.65 1lkj h ALA 10 N 1.37 1.26 -0.02 1.87 0.00 0.34 -0.37 119.26 123.70 1lkj h ALA 10 Ca 0.07 -0.19 -0.01 0.00 0.00 0.00 0.00 54.91 54.78 1lkj h ALA 10 Cb 0.59 -0.21 -0.00 0.00 0.00 0.00 0.00 17.79 18.17 1lkj h ALA 10 CO 0.04 0.52 -0.01 1.49 0.00 0.00 0.00 179.25 181.29 1lkj h GLU 11 N 0.77 0.04 -0.46 0.00 4.81 -1.09 -2.56 114.58 116.09 1lkj h GLU 11 Ca 0.17 -0.02 -0.03 0.00 -0.13 0.00 0.00 59.36 59.36 1lkj h GLU 11 Cb 0.27 -0.00 -0.02 0.00 0.63 0.00 0.00 28.75 29.62 1lkj h GLU 11 CO -0.00 0.45 0.18 0.74 -0.73 0.00 0.00 179.01 179.64 1lkj h PHE 12 N -0.37 0.66 -0.69 0.92 0.04 -1.34 -2.40 116.94 113.76 1lkj h PHE 12 Ca 0.00 -0.03 -0.02 0.00 2.80 0.00 0.00 57.97 60.73 1lkj h PHE 12 Cb 0.44 -0.21 -0.03 0.00 2.20 0.00 0.00 35.95 38.35 1lkj h PHE 12 CO 0.07 0.52 0.34 -0.22 -0.60 0.00 0.00 178.31 178.42 1lkj h LYS 13 N 0.66 0.98 0.11 1.51 3.64 -0.97 0.17 116.57 122.68 1lkj h LYS 13 Ca 0.16 -0.14 -0.01 0.00 -1.27 0.00 0.00 60.65 59.40 1lkj h LYS 13 Cb 0.14 -0.18 0.00 0.00 -0.41 0.00 0.00 32.23 31.78 1lkj h LYS 13 CO -0.02 0.76 -0.05 0.93 -2.27 0.00 0.00 179.45 178.80 1lkj h GLU 14 N 0.95 -0.15 -0.40 1.90 4.39 -1.02 0.13 114.58 120.39 1lkj h GLU 14 Ca 0.24 0.01 -0.08 0.00 0.34 0.00 0.00 59.36 59.87 1lkj h GLU 14 Cb 0.10 0.03 -0.02 0.00 -0.10 0.00 0.00 28.75 28.76 1lkj h GLU 14 CO -0.03 0.01 -0.09 0.00 -1.16 0.00 0.00 179.01 177.73 1lkj h ALA 15 N 0.60 1.10 -0.14 3.43 0.00 -1.36 -2.23 119.26 120.66 1lkj h ALA 15 Ca -0.02 -0.29 -0.04 0.00 0.00 0.00 0.00 54.91 54.56 1lkj h ALA 15 Cb 0.22 -0.17 -0.00 0.00 0.00 0.00 0.00 17.79 17.84 1lkj h ALA 15 CO 0.03 0.56 -0.08 0.35 0.00 0.00 0.00 179.25 180.11 1lkj h PHE 16 N 0.63 0.35 0.00 0.00 3.04 -0.46 -2.94 116.94 117.57 1lkj h PHE 16 Ca 0.11 -0.09 -0.02 0.00 3.98 0.00 0.00 57.97 61.95 1lkj h PHE 16 Cb 0.53 -0.08 -0.00 0.00 2.56 0.00 0.00 35.95 38.96 1lkj h PHE 16 CO 0.02 0.64 -0.11 0.00 -2.02 0.00 0.00 178.31 176.85 1lkj h ALA 17 N 0.65 1.58 -0.43 2.41 0.00 -0.65 -2.06 119.26 120.77 1lkj h ALA 17 Ca 0.03 -0.10 -0.05 0.00 0.00 0.00 0.00 54.91 54.80 1lkj h ALA 17 Cb 0.56 -0.02 -0.02 0.00 0.00 0.00 0.00 17.79 18.31 1lkj h ALA 17 CO 0.02 0.13 0.06 -0.07 0.00 0.00 0.00 179.25 179.40 1lkj h LEU 18 N 0.00 0.61 -3.56 0.00 3.38 -1.22 -2.63 115.31 111.89 1lkj h LEU 18 Ca -0.00 -0.11 -0.25 0.00 0.09 0.00 0.00 57.88 57.61 1lkj h LEU 18 Cb 0.22 -0.16 -0.15 0.00 0.09 0.00 0.00 40.66 40.66 1lkj h LEU 18 CO 0.01 0.64 0.17 0.49 0.09 0.00 0.00 178.44 179.84 1lkj n PHE 19 N -4.28 1.77 -3.18 1.13 3.01 -0.81 -4.83 117.46 110.26 1lkj n PHE 19 Ca 0.03 -1.53 -0.45 0.00 1.01 0.00 0.00 57.45 56.51 1lkj n PHE 19 Cb 0.23 -0.62 0.00 0.00 -0.01 0.00 0.00 39.48 39.09 1lkj n PHE 19 CO 0.00 0.00 0.00 -3.47 1.01 0.00 0.00 176.76 174.30 1lkj n ASP 20 N -0.94 5.51 0.24 4.37 2.03 -0.99 -4.71 116.55 122.06 1lkj n ASP 20 Ca 0.40 -3.06 0.07 0.00 0.52 0.00 0.00 54.79 52.72 1lkj n ASP 20 Cb 1.23 -1.42 0.57 0.00 -0.72 0.00 0.00 41.12 40.78 1lkj n ASP 20 CO 0.00 0.00 0.00 0.11 -1.92 0.00 0.00 177.20 175.39 1lkj h LYS 21 N 6.64 0.00 0.00 -0.67 1.79 -1.87 -1.16 116.57 121.29 1lkj h LYS 21 Ca 0.22 0.00 0.00 0.00 -2.18 0.00 0.00 60.65 58.69 1lkj h LYS 21 Cb 0.84 0.00 0.00 0.00 -1.58 0.00 0.00 32.23 31.49 1lkj h LYS 21 CO 1.12 0.15 0.00 0.22 -1.08 0.00 0.00 179.45 179.86 1lkj h ASP 22 N 0.00 0.00 -2.66 0.86 1.82 -1.88 -3.46 116.42 111.10 1lkj h ASP 22 Ca -0.00 0.00 -0.30 0.00 -0.39 0.00 0.00 57.03 56.34 1lkj h ASP 22 Cb 0.27 0.00 -0.06 0.00 0.68 0.00 0.00 39.33 40.22 1lkj h ASP 22 CO 0.02 0.00 -0.34 -3.20 -1.61 0.00 0.00 179.24 174.11 1lkj n ASN 23 N -2.39 -4.25 -0.02 2.28 4.05 -0.44 -4.76 115.26 109.72 1lkj n ASN 23 Ca 0.04 0.23 -0.02 0.00 0.45 0.00 0.00 54.58 55.28 1lkj n ASN 23 Cb 0.39 -3.71 -0.03 0.00 1.23 0.00 0.00 39.78 37.66 1lkj n ASN 23 CO 0.00 0.00 0.00 -3.20 -3.05 0.00 0.00 177.26 171.01 1lkj n ASN 24 N -1.39 3.87 0.00 1.20 5.15 -1.26 -5.03 115.26 117.80 1lkj n ASN 24 Ca -0.16 -0.01 0.00 0.00 -0.60 0.00 0.00 54.58 53.81 1lkj n ASN 24 Cb 0.57 0.49 0.00 0.00 -0.53 0.00 0.00 39.78 40.31 1lkj n ASN 24 CO 0.00 0.00 0.00 0.61 1.40 0.00 0.00 177.26 179.27 1lkj n GLY 25 N 2.82 0.53 3.60 8.20 0.00 -1.26 -5.08 105.19 114.00 1lkj n GLY 25 Ca -0.08 0.00 -0.11 0.00 0.00 0.00 0.00 46.02 45.83 1lkj n GLY 25 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 1lkj s SER 26 N -0.45 -0.79 0.23 1.61 1.04 -1.26 -3.15 113.70 110.93 1lkj s SER 26 Ca 0.00 1.42 0.09 0.00 0.48 0.00 0.00 55.95 57.94 1lkj s SER 26 Cb 0.00 1.38 -0.05 0.00 0.10 0.00 0.00 66.02 67.45 1lkj s SER 26 CO 0.00 -0.24 -0.16 0.27 0.98 0.00 0.00 173.24 174.09 1lkj s ILE 27 N 0.86 1.96 0.61 -1.02 -4.36 0.22 -4.57 121.20 114.90 1lkj s ILE 27 Ca -0.04 -2.27 -0.10 0.00 -0.26 0.00 0.00 60.65 57.98 1lkj s ILE 27 Cb -0.05 -2.12 -0.04 0.00 1.25 0.00 0.00 42.46 41.50 1lkj s ILE 27 CO -0.07 -0.53 1.01 -0.55 0.24 0.00 0.00 174.94 175.03 1lkj s SER 28 N -3.37 6.23 0.44 4.36 0.15 -1.26 0.56 113.70 120.81 1lkj s SER 28 Ca 0.25 1.37 0.18 0.00 0.70 0.00 0.00 55.95 58.45 1lkj s SER 28 Cb -0.02 -2.45 1.04 0.00 -1.71 0.00 0.00 66.02 62.88 1lkj s SER 28 CO 0.09 -0.84 1.95 -1.28 1.20 0.00 0.00 173.24 174.36 1lkj h SER 29 N -0.27 0.00 -0.56 5.45 0.87 -1.93 -2.52 113.55 114.59 1lkj h SER 29 Ca -0.44 0.00 -0.02 0.00 -1.23 0.00 0.00 61.79 60.10 1lkj h SER 29 Cb 1.19 0.00 -0.03 0.00 -0.44 0.00 0.00 62.40 63.12 1lkj h SER 29 CO 0.62 0.23 0.30 -1.28 -0.53 0.00 0.00 176.83 176.17 1lkj h SER 30 N 0.00 0.74 1.27 6.23 0.87 -1.94 -1.75 113.55 118.97 1lkj h SER 30 Ca -0.00 -0.06 0.00 0.00 -1.23 0.00 0.00 61.79 60.49 1lkj h SER 30 Cb 0.47 -0.19 0.00 0.00 -0.44 0.00 0.00 62.40 62.24 1lkj h SER 30 CO 0.03 0.62 -0.30 -0.33 -0.53 0.00 0.00 176.83 176.32 1lkj h GLU 31 N 0.83 0.00 -0.22 2.24 5.08 -1.84 -3.35 114.58 117.31 1lkj h GLU 31 Ca 0.21 0.00 0.05 0.00 -1.00 0.00 0.00 59.36 58.62 1lkj h GLU 31 Cb 0.06 0.00 -0.05 0.00 0.50 0.00 0.00 28.75 29.26 1lkj h GLU 31 CO -0.03 0.00 -0.12 1.25 -1.00 0.00 0.00 179.01 179.11 1lkj h LEU 32 N 0.00 -0.40 -0.94 1.33 5.85 -1.06 0.36 115.31 120.44 1lkj h LEU 32 Ca 0.00 0.09 0.00 0.00 0.84 0.00 0.00 57.88 58.82 1lkj h LEU 32 Cb 0.79 0.22 -0.05 0.00 0.37 0.00 0.00 40.66 41.99 1lkj h LEU 32 CO 0.00 -0.16 0.59 0.00 -0.34 0.00 0.00 178.44 178.54 1lkj h ALA 33 N 1.08 1.20 -0.41 1.25 0.00 -1.70 -2.02 119.26 118.66 1lkj h ALA 33 Ca 0.12 -0.09 -0.13 0.00 0.00 0.00 0.00 54.91 54.82 1lkj h ALA 33 Cb 0.28 -0.38 -0.01 0.00 0.00 0.00 0.00 17.79 17.68 1lkj h ALA 33 CO -0.29 0.62 -0.25 1.15 0.00 0.00 0.00 179.25 180.49 1lkj h THR 34 N 1.29 1.27 -0.42 0.00 2.02 -1.49 -2.44 112.91 113.13 1lkj h THR 34 Ca 0.34 -1.39 -0.03 0.00 0.77 0.00 0.00 66.41 66.10 1lkj h THR 34 Cb -0.10 1.22 -0.02 0.00 -1.74 0.00 0.00 68.15 67.51 1lkj h THR 34 CO -0.07 0.47 0.12 0.58 0.37 0.00 0.00 175.52 176.99 1lkj h VAL 35 N 0.73 1.18 -0.09 3.16 2.07 0.21 -2.17 116.25 121.35 1lkj h VAL 35 Ca 0.09 -0.62 -0.17 0.00 0.82 0.00 0.00 66.70 66.82 1lkj h VAL 35 Cb 0.79 0.73 -0.01 0.00 -1.52 0.00 0.00 31.29 31.28 1lkj h VAL 35 CO 0.07 0.23 -0.66 0.24 0.02 0.00 0.00 177.57 177.46 1lkj h MET 36 N 0.61 0.37 -0.26 1.57 2.86 -1.16 -1.67 114.93 117.25 1lkj h MET 36 Ca 0.14 -0.28 -0.10 0.00 -2.06 0.00 0.00 59.70 57.41 1lkj h MET 36 Cb 0.20 0.05 -0.01 0.00 0.06 0.00 0.00 31.60 31.90 1lkj h MET 36 CO -0.01 0.90 -0.26 0.00 1.06 0.00 0.00 176.91 178.61 1lkj h ARG 37 N 0.26 0.51 0.09 1.72 3.08 -0.94 -0.35 114.38 118.75 1lkj h ARG 37 Ca -0.02 -0.20 -0.26 0.00 0.07 0.00 0.00 59.98 59.58 1lkj h ARG 37 Cb 1.21 -0.03 -0.01 0.00 0.08 0.00 0.00 29.97 31.23 1lkj h ARG 37 CO 0.11 0.73 -1.18 0.77 -1.07 0.00 0.00 179.97 179.33 1lkj h SER 38 N 0.45 0.29 0.29 7.04 0.02 -1.34 -3.22 113.55 117.09 1lkj h SER 38 Ca 0.06 -0.32 -0.01 0.00 -0.84 0.00 0.00 61.79 60.69 1lkj h SER 38 Cb 0.69 -0.10 -0.00 0.00 0.14 0.00 0.00 62.40 63.13 1lkj h SER 38 CO 0.05 1.25 -0.03 -0.07 -1.14 0.00 0.00 176.83 176.89 1lkj h LEU 39 N 0.05 0.00 0.00 5.07 3.38 -1.16 -3.45 115.31 119.20 1lkj h LEU 39 Ca -0.10 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.87 1lkj h LEU 39 Cb 1.91 0.00 0.00 0.00 0.09 0.00 0.00 40.66 42.66 1lkj h LEU 39 CO 0.18 0.03 0.00 0.61 0.09 0.00 0.00 178.44 179.35 1lkj n GLY 40 N -0.80 2.00 3.67 0.83 0.00 -1.13 -5.10 105.19 104.65 1lkj n GLY 40 Ca -0.02 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.70 1lkj n GLY 40 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1lkj s LEU 41 N 0.00 2.14 -0.42 0.99 1.43 -0.15 -5.03 118.68 117.64 1lkj s LEU 41 Ca 0.00 -1.69 0.03 0.00 -1.03 0.00 0.00 54.13 51.44 1lkj s LEU 41 Cb 0.00 -0.45 0.27 0.00 0.03 0.00 0.00 46.19 46.04 1lkj s LEU 41 CO 0.00 -0.91 1.09 -1.54 0.23 0.00 0.00 176.35 175.21 1lkj n SER 42 N -1.33 -2.13 -4.76 2.29 3.41 -1.26 -4.16 113.62 105.69 1lkj n SER 42 Ca -0.14 -2.70 -0.40 0.00 -0.26 0.00 0.00 58.87 55.37 1lkj n SER 42 Cb 0.66 1.40 -0.04 0.00 -0.26 0.00 0.00 64.21 65.97 1lkj n SER 42 CO 0.00 0.00 0.00 -2.16 -0.16 0.00 0.00 175.04 172.72 1lkj s PRO 43 N 0.38 4.58 1.12 4.33 0.04 -1.26 -5.01 135.00 139.19 1lkj s PRO 43 Ca 0.28 1.87 -0.12 0.00 0.04 0.00 0.00 61.00 63.07 1lkj s PRO 43 Cb 0.24 -3.18 0.26 0.00 0.04 0.00 0.00 34.50 31.86 1lkj s PRO 43 CO -0.16 0.12 1.05 -1.12 0.04 0.00 0.00 177.00 176.93 1lkj s SER 44 N -0.70 1.26 0.56 6.66 0.01 -1.26 -4.66 113.70 115.57 1lkj s SER 44 Ca 0.46 1.68 0.24 0.00 1.31 0.00 0.00 55.95 59.64 1lkj s SER 44 Cb -0.33 -2.38 1.54 0.00 0.21 0.00 0.00 66.02 65.06 1lkj s SER 44 CO 0.42 -4.05 2.16 -0.08 0.41 0.00 0.00 173.24 172.10 1lkj h GLU 45 N -2.52 0.00 -0.34 12.44 4.81 -1.99 -1.78 114.58 125.20 1lkj h GLU 45 Ca -0.58 0.00 -0.08 0.00 -0.13 0.00 0.00 59.36 58.57 1lkj h GLU 45 Cb 1.32 0.00 -0.01 0.00 0.63 0.00 0.00 28.75 30.69 1lkj h GLU 45 CO 0.48 0.00 -0.09 0.00 -0.73 0.00 0.00 179.01 178.67 1lkj h ALA 46 N 1.93 0.46 -0.56 2.92 0.00 -2.00 -1.72 119.26 120.29 1lkj h ALA 46 Ca 0.04 -0.30 -0.11 0.00 0.00 0.00 0.00 54.91 54.54 1lkj h ALA 46 Cb 0.19 -0.12 -0.02 0.00 0.00 0.00 0.00 17.79 17.84 1lkj h ALA 46 CO -0.00 0.32 -0.08 0.93 0.00 0.00 0.00 179.25 180.42 1lkj h GLU 47 N 0.44 1.05 -0.50 0.00 5.08 -1.66 -2.47 114.58 116.53 1lkj h GLU 47 Ca 0.08 -0.37 -0.07 0.00 -1.00 0.00 0.00 59.36 58.00 1lkj h GLU 47 Cb 0.60 -0.07 -0.02 0.00 0.50 0.00 0.00 28.75 29.75 1lkj h GLU 47 CO 0.04 1.07 0.04 0.28 -1.00 0.00 0.00 179.01 179.44 1lkj h VAL 48 N 0.94 1.24 -0.34 3.13 2.07 -1.36 -2.56 116.25 119.36 1lkj h VAL 48 Ca 0.15 -0.94 -0.10 0.00 0.82 0.00 0.00 66.70 66.63 1lkj h VAL 48 Cb 0.65 0.81 -0.02 0.00 -1.52 0.00 0.00 31.29 31.22 1lkj h VAL 48 CO 0.04 0.34 -0.19 -1.13 0.02 0.00 0.00 177.57 176.65 1lkj h ASN 49 N 0.76 0.63 -0.40 0.57 -0.73 -1.09 -1.41 115.58 113.91 1lkj h ASN 49 Ca 0.15 -0.20 -0.04 0.00 1.87 0.00 0.00 56.30 58.08 1lkj h ASN 49 Cb 0.40 -0.17 -0.02 0.00 0.27 0.00 0.00 38.32 38.81 1lkj h ASN 49 CO 0.01 0.83 0.08 -0.78 -0.37 0.00 0.00 177.43 177.20 1lkj h ASP 50 N 0.56 0.62 -0.16 1.15 3.58 -1.06 -0.65 116.42 120.47 1lkj h ASP 50 Ca 0.09 -0.25 -0.14 0.00 0.42 0.00 0.00 57.03 57.15 1lkj h ASP 50 Cb 0.64 -0.16 -0.01 0.00 1.72 0.00 0.00 39.33 41.52 1lkj h ASP 50 CO 0.05 0.71 -0.38 -0.07 -2.88 0.00 0.00 179.24 176.66 1lkj h LEU 51 N 0.51 0.73 -1.04 2.28 3.38 -1.35 -2.68 115.31 117.13 1lkj h LEU 51 Ca 0.12 -0.32 -0.10 0.00 0.09 0.00 0.00 57.88 57.67 1lkj h LEU 51 Cb 0.34 -0.20 -0.01 0.00 0.09 0.00 0.00 40.66 40.88 1lkj h LEU 51 CO 0.01 1.03 -0.43 0.24 0.09 0.00 0.00 178.44 179.38 1lkj h MET 52 N 0.57 0.10 -0.20 1.13 2.86 -1.08 -2.31 114.93 116.00 1lkj h MET 52 Ca 0.05 -0.05 -0.09 0.00 -2.06 0.00 0.00 59.70 57.55 1lkj h MET 52 Cb 0.91 -0.00 -0.00 0.00 0.06 0.00 0.00 31.60 32.57 1lkj h MET 52 CO 0.08 0.51 -0.24 -0.97 1.06 0.00 0.00 176.91 177.36 1lkj h ASN 53 N 0.08 0.55 0.46 1.22 -0.73 -0.92 0.50 115.58 116.75 1lkj h ASN 53 Ca 0.01 -0.50 -0.06 0.00 1.87 0.00 0.00 56.30 57.61 1lkj h ASN 53 Cb 0.79 -0.16 -0.01 0.00 0.27 0.00 0.00 38.32 39.22 1lkj h ASN 53 CO 0.06 0.94 -0.31 -0.08 -0.37 0.00 0.00 177.43 177.67 1lkj h GLU 54 N 0.17 0.00 0.00 6.67 4.81 -1.40 -3.27 114.58 121.57 1lkj h GLU 54 Ca 0.03 0.00 -0.12 0.00 -0.13 0.00 0.00 59.36 59.13 1lkj h GLU 54 Cb 0.80 0.00 -0.02 0.00 0.63 0.00 0.00 28.75 30.16 1lkj h GLU 54 CO 0.06 0.31 -0.81 0.82 -0.73 0.00 0.00 179.01 178.65 1lkj h ILE 55 N 0.00 0.71 -1.40 2.32 2.04 -1.29 -3.45 117.51 116.43 1lkj h ILE 55 Ca -0.00 -1.80 -0.67 0.00 1.00 0.00 0.00 64.86 63.39 1lkj h ILE 55 Cb 0.62 1.61 -0.00 0.00 -0.74 0.00 0.00 36.82 38.30 1lkj h ILE 55 CO 0.04 0.24 1.25 -0.67 0.00 0.00 0.00 178.15 179.01 1lkj n ASP 56 N -4.53 2.49 -0.01 1.72 2.03 0.17 -4.50 116.55 113.93 1lkj n ASP 56 Ca -0.20 0.65 -0.01 0.00 0.52 0.00 0.00 54.79 55.75 1lkj n ASP 56 Cb 0.50 -1.27 -0.01 0.00 -0.72 0.00 0.00 41.12 39.62 1lkj n ASP 56 CO 0.00 0.00 0.00 1.33 -1.92 0.00 0.00 177.20 176.61 1lkj n VAL 57 N 6.29 0.07 -1.15 5.18 0.24 -1.26 -4.80 118.33 122.89 1lkj n VAL 57 Ca 0.34 -0.03 0.02 0.00 -2.04 0.00 0.00 64.34 62.62 1lkj n VAL 57 Cb 0.23 -0.81 0.02 0.00 -1.47 0.00 0.00 33.84 31.81 1lkj n VAL 57 CO 0.00 0.00 0.00 0.47 -2.14 0.00 0.00 176.83 175.16 1lkj n ASP 58 N -2.22 0.78 0.00 -1.34 8.00 -1.26 -4.96 116.55 115.55 1lkj n ASP 58 Ca -0.02 -1.87 0.00 0.00 0.71 0.00 0.00 54.79 53.61 1lkj n ASP 58 Cb 0.53 -0.14 0.00 0.00 -0.02 0.00 0.00 41.12 41.49 1lkj n ASP 58 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 1lkj n GLY 59 N -0.35 0.37 2.69 0.44 0.00 -1.26 -4.90 105.19 102.18 1lkj n GLY 59 Ca 0.03 0.00 -0.06 0.00 0.00 0.00 0.00 46.02 45.99 1lkj n GLY 59 CO 0.00 0.00 0.00 1.16 0.00 0.00 0.00 173.32 174.48 1lkj n ASN 60 N 0.00 -1.66 -4.66 1.61 6.94 -1.26 -5.07 115.26 111.15 1lkj n ASN 60 Ca 0.00 -2.21 -0.42 0.00 -0.02 0.00 0.00 54.58 51.92 1lkj n ASN 60 Cb 0.00 1.04 -0.03 0.00 -2.36 0.00 0.00 39.78 38.43 1lkj n ASN 60 CO 0.00 0.00 0.00 -2.28 -1.03 0.00 0.00 177.26 173.95 1lkj s HIS 61 N 0.14 1.78 -0.18 -2.53 2.46 -1.26 -4.93 115.29 110.77 1lkj s HIS 61 Ca 0.16 -0.03 -0.29 0.00 0.47 0.00 0.00 55.06 55.37 1lkj s HIS 61 Cb 0.29 -4.04 -0.00 0.00 -0.13 0.00 0.00 32.58 28.69 1lkj s HIS 61 CO -0.07 -4.48 1.07 -0.65 -2.47 0.00 0.00 174.74 168.14 1lkj s GLN 62 N 4.03 4.31 -0.09 2.88 -0.21 -1.26 -4.01 119.66 125.30 1lkj s GLN 62 Ca 0.79 1.42 -0.30 0.00 0.02 0.00 0.00 55.36 57.30 1lkj s GLN 62 Cb -0.37 -3.62 -0.02 0.00 1.00 0.00 0.00 33.01 30.00 1lkj s GLN 62 CO 0.34 -0.55 1.01 0.42 -2.12 0.00 0.00 175.29 174.40 1lkj s ILE 63 N 2.86 4.77 0.42 1.08 1.01 0.19 -4.80 121.20 126.73 1lkj s ILE 63 Ca 0.47 2.02 -0.03 0.00 0.00 0.00 0.00 60.65 63.12 1lkj s ILE 63 Cb -0.17 -4.30 -0.03 0.00 0.01 0.00 0.00 42.46 37.96 1lkj s ILE 63 CO 0.11 0.02 0.68 -1.61 0.00 0.00 0.00 174.94 174.15 1lkj s GLU 64 N 1.89 3.50 0.59 2.79 2.02 -1.26 -0.61 118.70 127.62 1lkj s GLU 64 Ca 0.49 -0.05 0.28 0.00 0.02 0.00 0.00 54.97 55.71 1lkj s GLU 64 Cb -0.19 -2.50 1.58 0.00 0.10 0.00 0.00 34.13 33.12 1lkj s GLU 64 CO 0.19 -0.06 2.02 0.35 0.02 0.00 0.00 175.26 177.79 1lkj h PHE 65 N 0.45 0.00 0.36 1.61 3.57 -1.95 -0.31 116.94 120.67 1lkj h PHE 65 Ca -0.48 0.00 -0.02 0.00 3.53 0.00 0.00 57.97 61.00 1lkj h PHE 65 Cb 1.21 0.00 0.00 0.00 2.79 0.00 0.00 35.95 39.96 1lkj h PHE 65 CO 0.55 0.00 -0.17 1.03 -2.23 0.00 0.00 178.31 177.48 1lkj h SER 66 N 0.00 -0.41 0.16 0.41 0.87 -1.92 -1.89 113.55 110.77 1lkj h SER 66 Ca 0.14 -0.11 -0.03 0.00 -1.23 0.00 0.00 61.79 60.56 1lkj h SER 66 Cb 0.75 0.11 -0.00 0.00 -0.44 0.00 0.00 62.40 62.81 1lkj h SER 66 CO -0.00 0.04 -0.15 -0.33 -0.53 0.00 0.00 176.83 175.86 1lkj h GLU 67 N -1.03 0.00 -0.06 2.24 5.08 -1.82 -2.57 114.58 116.41 1lkj h GLU 67 Ca -0.05 0.00 -0.02 0.00 -1.00 0.00 0.00 59.36 58.29 1lkj h GLU 67 Cb 0.49 0.00 -0.00 0.00 0.50 0.00 0.00 28.75 29.74 1lkj h GLU 67 CO 0.08 0.15 -0.03 0.35 -1.00 0.00 0.00 179.01 178.56 1lkj h PHE 68 N 0.00 0.16 -0.46 4.33 3.57 -1.08 -1.36 116.94 122.11 1lkj h PHE 68 Ca -0.00 -0.04 0.01 0.00 3.53 0.00 0.00 57.97 61.47 1lkj h PHE 68 Cb 0.27 -0.04 -0.02 0.00 2.79 0.00 0.00 35.95 38.95 1lkj h PHE 68 CO 0.00 0.52 0.30 -0.07 -2.23 0.00 0.00 178.31 176.83 1lkj h LEU 69 N -0.25 0.50 0.05 0.59 3.38 -1.07 0.24 115.31 118.75 1lkj h LEU 69 Ca 0.01 -0.01 -0.00 0.00 0.09 0.00 0.00 57.88 57.97 1lkj h LEU 69 Cb 0.48 -0.12 0.00 0.00 0.09 0.00 0.00 40.66 41.11 1lkj h LEU 69 CO 0.01 0.35 -0.03 0.00 0.09 0.00 0.00 178.44 178.87 1lkj h ALA 70 N 1.72 -0.07 0.00 1.53 0.00 -1.34 -1.85 119.26 119.25 1lkj h ALA 70 Ca 0.17 -0.26 -0.02 0.00 0.00 0.00 0.00 54.91 54.80 1lkj h ALA 70 Cb -0.01 0.03 -0.00 0.00 0.00 0.00 0.00 17.79 17.80 1lkj h ALA 70 CO -0.04 -0.26 -0.12 -0.07 0.00 0.00 0.00 179.25 178.76 1lkj h LEU 71 N -0.63 0.00 -0.24 0.00 3.38 -0.96 -2.14 115.31 114.72 1lkj h LEU 71 Ca -0.01 0.00 -0.21 0.00 0.09 0.00 0.00 57.88 57.75 1lkj h LEU 71 Cb 0.55 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.30 1lkj h LEU 71 CO 0.01 0.12 -0.85 0.24 0.09 0.00 0.00 178.44 178.05 1lkj h MET 72 N 0.00 0.49 -0.44 1.13 2.86 -0.91 -2.95 114.93 115.11 1lkj h MET 72 Ca -0.00 -0.46 -0.08 0.00 -2.06 0.00 0.00 59.70 57.10 1lkj h MET 72 Cb 0.21 0.11 -0.02 0.00 0.06 0.00 0.00 31.60 31.97 1lkj h MET 72 CO 0.02 1.10 -0.05 1.03 1.06 0.00 0.00 176.91 180.06 1lkj h SER 73 N 0.31 0.73 -0.39 1.22 0.87 -0.69 0.14 113.55 115.74 1lkj h SER 73 Ca -0.06 -0.19 -0.13 0.00 -1.23 0.00 0.00 61.79 60.18 1lkj h SER 73 Cb 1.47 -0.19 -0.01 0.00 -0.44 0.00 0.00 62.40 63.22 1lkj h SER 73 CO 0.15 0.83 -0.23 0.08 -0.53 0.00 0.00 176.83 177.13 1lkj h ARG 74 N 0.69 0.90 -0.01 2.24 0.11 -1.46 -0.60 114.38 116.25 1lkj h ARG 74 Ca 0.13 -0.38 -0.14 0.00 0.10 0.00 0.00 59.98 59.69 1lkj h ARG 74 Cb 0.50 -0.03 0.01 0.00 1.11 0.00 0.00 29.97 31.56 1lkj h ARG 74 CO 0.03 1.03 -0.56 1.96 0.10 0.00 0.00 179.97 182.53 1lkj h GLN 75 N 0.77 0.40 0.00 0.08 1.08 -1.32 -3.22 115.11 112.90 1lkj h GLN 75 Ca 0.10 -0.41 -0.05 0.00 -1.45 0.00 0.00 58.65 56.84 1lkj h GLN 75 Cb 0.78 0.11 -0.01 0.00 -0.05 0.00 0.00 27.48 28.32 1lkj h GLN 75 CO 0.06 1.08 -0.23 -0.07 -0.95 0.00 0.00 178.83 178.72 1lkj h LEU 76 N -0.12 0.00 0.00 1.46 3.38 -0.72 -3.44 115.31 115.87 1lkj h LEU 76 Ca -0.07 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.90 1lkj h LEU 76 Cb 1.26 0.00 0.00 0.00 0.09 0.00 0.00 40.66 42.01 1lkj h LEU 76 CO 0.11 0.23 0.00 0.29 0.09 0.00 0.00 178.44 179.16 1lkj n LYS 77 N -3.89 2.10 -3.65 1.13 5.02 -0.23 -5.07 118.16 113.57 1lkj n LYS 77 Ca -0.02 0.00 -0.36 0.00 -2.02 0.00 0.00 58.31 55.91 1lkj n LYS 77 Cb 0.32 0.00 -0.08 0.00 -0.02 0.00 0.00 35.03 35.24 1lkj n LYS 77 CO 0.00 0.00 0.00 -1.54 -0.52 0.00 0.00 177.40 175.34 1lkj s SER 78 N -0.85 6.23 -1.26 4.39 1.04 -1.26 -4.88 113.70 117.11 1lkj s SER 78 Ca 0.00 0.26 -0.10 0.00 0.48 0.00 0.00 55.95 56.59 1lkj s SER 78 Cb 0.00 -2.12 0.18 0.00 0.10 0.00 0.00 66.02 64.18 1lkj s SER 78 CO 0.00 0.11 1.78 -3.20 0.98 0.00 0.00 173.24 172.91 1lkj n ASN 79 N 3.86 5.18 0.00 7.02 5.15 -1.26 -4.04 115.26 131.17 1lkj n ASN 79 Ca -0.14 -3.11 0.00 0.00 -0.60 0.00 0.00 54.58 50.73 1lkj n ASN 79 Cb 0.52 -1.48 0.00 0.00 -0.53 0.00 0.00 39.78 38.29 1lkj n ASN 79 CO 0.00 0.00 0.00 -0.67 1.40 0.00 0.00 177.26 177.99 1lkj n ASP 80 N 4.01 0.00 -0.16 1.20 2.03 -1.26 -4.95 116.55 117.42 1lkj n ASP 80 Ca 0.38 0.00 0.21 0.00 0.52 0.00 0.00 54.79 55.91 1lkj n ASP 80 Cb 0.37 0.00 0.61 0.00 -0.72 0.00 0.00 41.12 41.38 1lkj n ASP 80 CO 0.00 0.00 0.00 0.77 -1.92 0.00 0.00 177.20 176.05 1lkj h SER 81 N 0.00 0.20 0.80 1.67 4.64 -1.99 -1.32 113.55 117.55 1lkj h SER 81 Ca 0.00 0.02 -0.04 0.00 -0.47 0.00 0.00 61.79 61.30 1lkj h SER 81 Cb 0.00 -0.02 0.01 0.00 -0.31 0.00 0.00 62.40 62.08 1lkj h SER 81 CO 0.00 0.09 -0.38 -0.08 -0.87 0.00 0.00 176.83 175.58 1lkj h GLU 82 N 0.20 -1.04 0.00 4.77 4.81 -1.92 -0.60 114.58 120.81 1lkj h GLU 82 Ca 0.39 0.07 -0.01 0.00 -0.13 0.00 0.00 59.36 59.68 1lkj h GLU 82 Cb 1.23 0.24 -0.00 0.00 0.63 0.00 0.00 28.75 30.85 1lkj h GLU 82 CO -0.08 -0.68 -0.04 1.96 -0.73 0.00 0.00 179.01 179.44 1lkj h GLN 83 N -1.15 0.00 -0.45 1.92 1.08 -1.79 -1.90 115.11 112.82 1lkj h GLN 83 Ca -0.11 0.00 -0.14 0.00 -1.45 0.00 0.00 58.65 56.95 1lkj h GLN 83 Cb 0.84 0.00 -0.01 0.00 -0.05 0.00 0.00 27.48 28.26 1lkj h GLN 83 CO 0.18 0.04 -0.27 0.93 -0.95 0.00 0.00 178.83 178.76 1lkj h GLU 84 N 0.00 0.96 -0.17 1.46 4.39 -0.93 -2.20 114.58 118.09 1lkj h GLU 84 Ca -0.00 -0.44 -0.01 0.00 0.34 0.00 0.00 59.36 59.25 1lkj h GLU 84 Cb 0.07 -0.02 -0.01 0.00 -0.10 0.00 0.00 28.75 28.70 1lkj h GLU 84 CO 0.01 1.10 0.06 -0.07 -1.16 0.00 0.00 179.01 178.95 1lkj h LEU 85 N 0.82 0.24 -1.80 1.33 3.38 -0.30 -1.95 115.31 117.03 1lkj h LEU 85 Ca 0.09 -0.18 -0.03 0.00 0.09 0.00 0.00 57.88 57.86 1lkj h LEU 85 Cb 0.85 -0.06 -0.00 0.00 0.09 0.00 0.00 40.66 41.53 1lkj h LEU 85 CO 0.08 0.35 -0.12 -0.07 0.09 0.00 0.00 178.44 178.77 1lkj h LEU 86 N 0.11 0.00 -0.12 1.67 3.38 -1.46 -2.11 115.31 116.78 1lkj h LEU 86 Ca 0.05 0.00 -0.05 0.00 0.09 0.00 0.00 57.88 57.97 1lkj h LEU 86 Cb 0.20 0.00 -0.00 0.00 0.09 0.00 0.00 40.66 40.95 1lkj h LEU 86 CO -0.00 0.12 -0.14 -0.33 0.09 0.00 0.00 178.44 178.18 1lkj h GLU 87 N 0.00 0.30 -0.44 1.13 4.39 -0.93 -2.14 114.58 116.89 1lkj h GLU 87 Ca -0.00 -0.17 -0.02 0.00 0.34 0.00 0.00 59.36 59.52 1lkj h GLU 87 Cb 0.23 0.01 -0.02 0.00 -0.10 0.00 0.00 28.75 28.86 1lkj h GLU 87 CO 0.02 0.72 0.22 0.00 -1.16 0.00 0.00 179.01 178.80 1lkj h ALA 88 N 0.58 0.57 -0.08 3.43 0.00 -1.03 -2.16 119.26 120.57 1lkj h ALA 88 Ca 0.02 -0.11 -0.03 0.00 0.00 0.00 0.00 54.91 54.79 1lkj h ALA 88 Cb 0.67 -0.17 -0.01 0.00 0.00 0.00 0.00 17.79 18.28 1lkj h ALA 88 CO 0.03 0.13 -0.08 0.74 0.00 0.00 0.00 179.25 180.07 1lkj h PHE 89 N 0.57 0.11 -0.35 0.00 0.04 -1.41 -2.50 116.94 113.41 1lkj h PHE 89 Ca 0.15 -0.01 -0.07 0.00 2.80 0.00 0.00 57.97 60.84 1lkj h PHE 89 Cb 0.11 -0.03 -0.01 0.00 2.20 0.00 0.00 35.95 38.22 1lkj h PHE 89 CO -0.01 0.20 -0.07 -0.22 -0.60 0.00 0.00 178.31 177.61 1lkj h LYS 90 N 0.11 0.66 -0.69 1.51 3.64 -0.75 -0.75 116.57 120.30 1lkj h LYS 90 Ca 0.02 -0.24 -0.04 0.00 -1.27 0.00 0.00 60.65 59.13 1lkj h LYS 90 Cb 0.22 -0.04 -0.03 0.00 -0.41 0.00 0.00 32.23 31.96 1lkj h LYS 90 CO 0.01 0.81 0.29 0.28 -2.27 0.00 0.00 179.45 178.57 1lkj h VAL 91 N 0.45 1.23 0.00 2.00 2.07 -1.05 -1.97 116.25 118.98 1lkj h VAL 91 Ca 0.09 -0.72 -0.02 0.00 0.82 0.00 0.00 66.70 66.87 1lkj h VAL 91 Cb 0.56 0.40 -0.00 0.00 -1.52 0.00 0.00 31.29 30.73 1lkj h VAL 91 CO 0.03 0.29 -0.09 -0.26 0.02 0.00 0.00 177.57 177.56 1lkj h PHE 92 N 0.99 0.00 -2.96 1.57 -1.00 -1.32 -3.45 116.94 110.76 1lkj h PHE 92 Ca 0.23 0.00 -0.42 0.00 2.81 0.00 0.00 57.97 60.59 1lkj h PHE 92 Cb 0.17 0.00 0.22 0.00 3.61 0.00 0.00 35.95 39.95 1lkj h PHE 92 CO 0.01 0.09 -0.19 -3.47 -1.61 0.00 0.00 178.31 173.14 1lkj n ASP 93 N -3.15 -2.28 -0.00 2.17 2.03 -0.30 -4.90 116.55 110.12 1lkj n ASP 93 Ca 0.02 -0.29 -0.00 0.00 0.52 0.00 0.00 54.79 55.04 1lkj n ASP 93 Cb 0.49 -1.17 -0.00 0.00 -0.72 0.00 0.00 41.12 39.72 1lkj n ASP 93 CO 0.00 0.00 0.00 0.11 -1.92 0.00 0.00 177.20 175.39 1lkj h LYS 94 N -2.80 -0.00 0.00 -0.67 1.79 -1.84 -3.47 116.57 109.58 1lkj h LYS 94 Ca -0.59 0.00 0.00 0.00 -2.18 0.00 0.00 60.65 57.88 1lkj h LYS 94 Cb 1.33 0.00 0.00 0.00 -1.58 0.00 0.00 32.23 31.99 1lkj h LYS 94 CO 0.45 -0.00 -0.31 -1.71 -1.08 0.00 0.00 179.45 176.79 1lkj n ASN 95 N -2.09 1.06 -1.67 0.86 2.85 -1.26 -5.01 115.26 110.00 1lkj n ASN 95 Ca -0.00 0.16 -0.00 0.00 -0.11 0.00 0.00 54.58 54.63 1lkj n ASN 95 Cb 0.00 -0.43 0.01 0.00 1.24 0.00 0.00 39.78 40.60 1lkj n ASN 95 CO 0.00 0.00 0.00 0.61 -2.11 0.00 0.00 177.26 175.76 1lkj n GLY 96 N 2.61 -0.73 0.56 8.20 0.00 -1.26 -5.04 105.19 109.53 1lkj n GLY 96 Ca -0.04 -0.02 -0.09 0.00 0.00 0.00 0.00 46.02 45.87 1lkj n GLY 96 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 1lkj n ASP 97 N -0.17 1.32 0.00 1.61 8.00 -1.26 -5.07 116.55 120.98 1lkj n ASP 97 Ca -0.03 0.21 0.00 0.00 0.71 0.00 0.00 54.79 55.68 1lkj n ASP 97 Cb 0.54 -0.49 0.00 0.00 -0.02 0.00 0.00 41.12 41.15 1lkj n ASP 97 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 1lkj n GLY 98 N 2.32 0.69 2.78 0.44 0.00 -1.26 -5.00 105.19 105.17 1lkj n GLY 98 Ca -0.16 0.00 -0.28 0.00 0.00 0.00 0.00 46.02 45.58 1lkj n GLY 98 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1lkj s LEU 99 N 0.00 1.53 0.15 0.99 1.43 -1.26 -2.74 118.68 118.78 1lkj s LEU 99 Ca 0.00 -0.93 0.05 0.00 -1.03 0.00 0.00 54.13 52.22 1lkj s LEU 99 Cb 0.00 -0.74 -0.04 0.00 0.03 0.00 0.00 46.19 45.44 1lkj s LEU 99 CO 0.00 -0.29 -0.10 0.27 0.23 0.00 0.00 176.35 176.45 1lkj s ILE 100 N 1.74 1.19 0.63 -0.59 -4.36 -0.47 -4.27 121.20 115.07 1lkj s ILE 100 Ca -0.02 -2.03 -0.11 0.00 -0.26 0.00 0.00 60.65 58.23 1lkj s ILE 100 Cb -0.17 -1.82 -0.04 0.00 1.25 0.00 0.00 42.46 41.68 1lkj s ILE 100 CO -0.08 -0.72 1.03 -0.44 0.24 0.00 0.00 174.94 174.97 1lkj s SER 101 N -3.11 6.16 0.56 4.36 0.01 -1.26 -0.35 113.70 120.07 1lkj s SER 101 Ca 0.16 1.41 0.28 0.00 1.31 0.00 0.00 55.95 59.11 1lkj s SER 101 Cb 0.02 -2.44 1.48 0.00 0.21 0.00 0.00 66.02 65.29 1lkj s SER 101 CO 0.01 -0.91 1.98 0.00 0.41 0.00 0.00 173.24 174.72 1lkj h ALA 102 N -0.35 2.28 0.19 1.44 0.00 -1.94 -1.60 119.26 119.27 1lkj h ALA 102 Ca -0.44 -0.02 -0.01 0.00 0.00 0.00 0.00 54.91 54.44 1lkj h ALA 102 Cb 1.19 0.03 0.00 0.00 0.00 0.00 0.00 17.79 19.02 1lkj h ALA 102 CO 0.62 -0.63 -0.09 0.00 0.00 0.00 0.00 179.25 179.15 1lkj h ALA 103 N 1.64 -0.25 -0.74 0.00 0.00 -1.95 -0.61 119.26 117.34 1lkj h ALA 103 Ca 0.22 -0.17 -0.04 0.00 0.00 0.00 0.00 54.91 54.92 1lkj h ALA 103 Cb 1.01 0.10 -0.03 0.00 0.00 0.00 0.00 17.79 18.86 1lkj h ALA 103 CO -0.00 -0.48 0.31 0.93 0.00 0.00 0.00 179.25 180.01 1lkj h GLU 104 N -0.58 1.09 -0.41 0.00 5.08 -1.69 -2.09 114.58 115.97 1lkj h GLU 104 Ca -0.03 -0.18 -0.08 0.00 -1.00 0.00 0.00 59.36 58.08 1lkj h GLU 104 Cb 0.43 -0.19 -0.02 0.00 0.50 0.00 0.00 28.75 29.47 1lkj h GLU 104 CO 0.04 0.87 -0.07 1.25 -1.00 0.00 0.00 179.01 180.10 1lkj h LEU 105 N 1.07 0.69 -0.76 1.33 5.85 -1.28 -2.36 115.31 119.85 1lkj h LEU 105 Ca 0.25 -0.18 -0.12 0.00 0.84 0.00 0.00 57.88 58.67 1lkj h LEU 105 Cb 0.18 -0.18 -0.01 0.00 0.37 0.00 0.00 40.66 41.01 1lkj h LEU 105 CO -0.02 0.81 -0.35 0.50 -0.34 0.00 0.00 178.44 179.03 1lkj h LYS 106 N 0.65 0.53 -0.07 1.25 3.64 -0.61 -2.26 116.57 119.70 1lkj h LYS 106 Ca 0.12 -0.25 -0.12 0.00 -1.27 0.00 0.00 60.65 59.14 1lkj h LYS 106 Cb 0.51 -0.01 -0.01 0.00 -0.41 0.00 0.00 32.23 32.31 1lkj h LYS 106 CO 0.03 0.81 -0.48 1.25 -2.27 0.00 0.00 179.45 178.79 1lkj h HIS 107 N 0.45 0.22 -0.08 1.91 2.76 -1.09 -2.29 115.15 117.02 1lkj h HIS 107 Ca 0.05 -0.07 -0.23 0.00 -2.20 0.00 0.00 60.37 57.92 1lkj h HIS 107 Cb 0.82 -0.04 0.01 0.00 1.55 0.00 0.00 27.41 29.75 1lkj h HIS 107 CO 0.03 0.63 -0.86 0.28 -1.30 0.00 0.00 177.93 176.71 1lkj h VAL 108 N 0.14 1.31 0.00 5.26 2.07 -1.21 -1.92 116.25 121.91 1lkj h VAL 108 Ca 0.01 -2.13 -0.09 0.00 0.82 0.00 0.00 66.70 65.30 1lkj h VAL 108 Cb 0.91 2.16 -0.01 0.00 -1.52 0.00 0.00 31.29 32.82 1lkj h VAL 108 CO 0.07 0.66 -0.45 -0.07 0.02 0.00 0.00 177.57 177.80 1lkj h LEU 109 N 0.42 0.00 0.16 2.57 3.38 -1.32 -2.49 115.31 118.03 1lkj h LEU 109 Ca -0.07 0.00 -0.23 0.00 0.09 0.00 0.00 57.88 57.67 1lkj h LEU 109 Cb 1.49 0.00 0.03 0.00 0.09 0.00 0.00 40.66 42.26 1lkj h LEU 109 CO 0.17 0.45 -0.99 0.74 0.09 0.00 0.00 178.44 178.90 1lkj h THR 110 N 0.00 1.44 -0.55 0.22 2.02 -1.38 -3.12 112.91 111.55 1lkj h THR 110 Ca -0.00 -2.55 -0.01 0.00 0.77 0.00 0.00 66.41 64.61 1lkj h THR 110 Cb 0.86 3.12 -0.03 0.00 -1.74 0.00 0.00 68.15 70.37 1lkj h THR 110 CO 0.06 0.74 0.30 0.28 0.37 0.00 0.00 175.52 177.27 1lkj h SER 111 N -0.20 0.68 0.13 4.18 0.02 -1.32 -1.80 113.55 115.24 1lkj h SER 111 Ca -0.17 -0.09 -0.02 0.00 -0.84 0.00 0.00 61.79 60.67 1lkj h SER 111 Cb 1.77 -0.17 -0.00 0.00 0.14 0.00 0.00 62.40 64.13 1lkj h SER 111 CO 0.19 0.58 -0.08 0.40 -1.14 0.00 0.00 176.83 176.78 1lkj h ILE 112 N 0.73 0.78 -0.61 3.27 2.04 -1.55 -3.46 117.51 118.71 1lkj h ILE 112 Ca 0.19 -0.29 -0.06 0.00 1.00 0.00 0.00 64.86 65.70 1lkj h ILE 112 Cb 0.04 1.17 0.00 0.00 -0.74 0.00 0.00 36.82 37.29 1lkj h ILE 112 CO -0.03 0.07 -0.08 0.61 0.00 0.00 0.00 178.15 178.72 1lkj n GLY 113 N -1.13 0.32 3.33 5.37 0.00 -0.68 -5.02 105.19 107.39 1lkj n GLY 113 Ca -0.03 -0.73 -0.30 0.00 0.00 0.00 0.00 46.02 44.96 1lkj n GLY 113 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 1lkj s GLU 114 N -4.30 -2.50 -1.01 1.61 0.41 -1.20 -4.90 118.70 106.81 1lkj s GLU 114 Ca 0.01 0.37 -0.01 0.00 -0.41 0.00 0.00 54.97 54.94 1lkj s GLU 114 Cb -0.01 -1.41 0.32 0.00 -1.78 0.00 0.00 34.13 31.26 1lkj s GLU 114 CO 0.02 -4.65 1.78 1.63 -0.49 0.00 0.00 175.26 173.54 1lkj n LYS 115 N -5.51 5.32 -3.94 1.61 5.02 -1.26 -4.94 118.16 114.47 1lkj n LYS 115 Ca 0.09 -4.68 -0.29 0.00 -2.02 0.00 0.00 58.31 51.42 1lkj n LYS 115 Cb 0.58 -2.46 -0.16 0.00 -0.02 0.00 0.00 35.03 32.97 1lkj n LYS 115 CO 0.00 0.00 0.00 -0.51 -0.52 0.00 0.00 177.40 176.37 1lkj s LEU 116 N -4.24 1.75 0.00 -0.35 1.43 -1.26 -4.66 118.68 111.35 1lkj s LEU 116 Ca 0.39 -0.65 -0.16 0.00 -1.03 0.00 0.00 54.13 52.68 1lkj s LEU 116 Cb 0.19 -1.03 0.23 0.00 0.03 0.00 0.00 46.19 45.60 1lkj s LEU 116 CO -0.12 -0.14 1.21 0.35 0.23 0.00 0.00 176.35 177.87 1lkj n THR 117 N 4.82 0.00 -0.16 5.49 -2.24 -1.26 -4.82 114.28 116.11 1lkj n THR 117 Ca -0.14 -0.82 -0.07 0.00 -2.27 0.00 0.00 64.05 60.75 1lkj n THR 117 Cb 0.48 -1.47 0.09 0.00 -2.10 0.00 0.00 70.33 67.32 1lkj n THR 117 CO 0.00 0.00 0.00 -0.78 -0.57 0.00 0.00 175.07 173.72 1lkj h ASP 118 N -1.85 0.91 -0.66 3.42 1.82 -2.00 -2.53 116.42 115.52 1lkj h ASP 118 Ca -0.40 -0.25 -0.03 0.00 -0.39 0.00 0.00 57.03 55.96 1lkj h ASP 118 Cb 1.13 -0.24 -0.03 0.00 0.68 0.00 0.00 39.33 40.86 1lkj h ASP 118 CO 0.28 0.98 0.31 0.00 -1.61 0.00 0.00 179.24 179.20 1lkj h ALA 119 N 1.11 1.26 0.09 -0.78 0.00 -1.99 -0.62 119.26 118.34 1lkj h ALA 119 Ca 0.15 -0.15 -0.00 0.00 0.00 0.00 0.00 54.91 54.91 1lkj h ALA 119 Cb 0.54 -0.28 0.00 0.00 0.00 0.00 0.00 17.79 18.05 1lkj h ALA 119 CO 0.03 0.56 -0.04 0.93 0.00 0.00 0.00 179.25 180.73 1lkj h GLU 120 N 0.98 -0.12 0.00 0.00 5.08 -1.85 -2.34 114.58 116.33 1lkj h GLU 120 Ca 0.24 0.01 -0.02 0.00 -1.00 0.00 0.00 59.36 58.59 1lkj h GLU 120 Cb 0.13 0.03 -0.00 0.00 0.50 0.00 0.00 28.75 29.40 1lkj h GLU 120 CO -0.03 0.20 -0.08 0.28 -1.00 0.00 0.00 179.01 178.38 1lkj h VAL 121 N -0.46 0.79 -0.22 3.13 2.07 -1.31 -0.99 116.25 119.27 1lkj h VAL 121 Ca -0.01 -0.31 -0.08 0.00 0.82 0.00 0.00 66.70 67.12 1lkj h VAL 121 Cb 0.38 1.18 -0.00 0.00 -1.52 0.00 0.00 31.29 31.33 1lkj h VAL 121 CO 0.02 0.08 -0.17 -0.78 0.02 0.00 0.00 177.57 176.74 1lkj h ASP 122 N 0.00 0.52 0.19 0.57 1.82 -0.86 -0.38 116.42 118.28 1lkj h ASP 122 Ca -0.00 -0.45 -0.17 0.00 -0.39 0.00 0.00 57.03 56.02 1lkj h ASP 122 Cb 0.18 -0.15 -0.01 0.00 0.68 0.00 0.00 39.33 40.04 1lkj h ASP 122 CO 0.01 0.86 -0.65 0.44 -1.61 0.00 0.00 179.24 178.29 1lkj h ASP 123 N 0.18 0.50 0.72 2.28 5.19 -0.94 -2.71 116.42 121.64 1lkj h ASP 123 Ca 0.04 -0.30 -0.12 0.00 -0.62 0.00 0.00 57.03 56.03 1lkj h ASP 123 Cb 0.70 -0.15 -0.02 0.00 0.18 0.00 0.00 39.33 40.04 1lkj h ASP 123 CO 0.04 1.02 -0.56 -0.03 -3.12 0.00 0.00 179.24 176.59 1lkj h MET 124 N 0.31 0.00 -0.11 3.56 4.05 -1.17 -2.67 114.93 118.91 1lkj h MET 124 Ca -0.01 0.00 -0.15 0.00 -0.28 0.00 0.00 59.70 59.26 1lkj h MET 124 Cb 1.20 0.00 0.01 0.00 -0.80 0.00 0.00 31.60 32.01 1lkj h MET 124 CO 0.11 0.56 -0.51 -0.07 0.23 0.00 0.00 176.91 177.24 1lkj h LEU 125 N 0.00 0.64 -1.09 3.39 3.38 -0.96 -1.10 115.31 119.57 1lkj h LEU 125 Ca -0.01 -0.64 -0.08 0.00 0.09 0.00 0.00 57.88 57.24 1lkj h LEU 125 Cb 1.07 -0.19 -0.01 0.00 0.09 0.00 0.00 40.66 41.62 1lkj h LEU 125 CO 0.07 1.17 -0.26 -0.09 0.09 0.00 0.00 178.44 179.43 1lkj h ARG 126 N 0.15 0.33 0.00 1.13 2.43 -1.48 0.89 114.38 117.83 1lkj h ARG 126 Ca -0.03 -0.12 -0.20 0.00 -0.81 0.00 0.00 59.98 58.82 1lkj h ARG 126 Cb 1.15 -0.02 -0.03 0.00 -0.42 0.00 0.00 29.97 30.65 1lkj h ARG 126 CO 0.11 0.57 -0.98 1.49 -1.51 0.00 0.00 179.97 179.65 1lkj h GLU 127 N 0.30 0.00 0.00 0.20 4.57 -1.47 -3.38 114.58 114.80 1lkj h GLU 127 Ca 0.05 0.00 -0.24 0.00 -1.18 0.00 0.00 59.36 57.99 1lkj h GLU 127 Cb 0.61 0.00 -0.04 0.00 -0.16 0.00 0.00 28.75 29.17 1lkj h GLU 127 CO 0.04 0.97 -1.49 0.28 -1.18 0.00 0.00 179.01 177.64 1lkj n VAL 128 N -3.34 1.51 -1.66 0.32 0.31 -0.42 -4.84 118.33 110.20 1lkj n VAL 128 Ca 0.00 -0.07 -0.43 0.00 -0.01 0.00 0.00 64.34 63.83 1lkj n VAL 128 Cb 0.93 -2.08 -0.03 0.00 -0.91 0.00 0.00 33.84 31.75 1lkj n VAL 128 CO 0.00 0.00 0.00 -0.55 -1.32 0.00 0.00 176.83 174.96 1lkj s SER 129 N -6.77 5.71 0.00 4.52 0.15 0.31 -4.75 113.70 112.87 1lkj s SER 129 Ca -0.29 2.00 0.00 0.00 0.70 0.00 0.00 55.95 58.35 1lkj s SER 129 Cb 0.08 -2.52 0.00 0.00 -1.71 0.00 0.00 66.02 61.87 1lkj s SER 129 CO 0.49 -1.74 0.00 -0.90 1.20 0.00 0.00 173.24 172.29 1lkj n ASP 130 N 10.66 3.54 0.00 5.45 5.75 -1.26 -4.74 116.55 135.95 1lkj n ASP 130 Ca 0.27 0.00 0.00 0.00 -0.01 0.00 0.00 54.79 55.05 1lkj n ASP 130 Cb 0.44 0.05 0.00 0.00 -1.03 0.00 0.00 41.12 40.59 1lkj n ASP 130 CO 0.00 0.00 0.00 0.61 -0.11 0.00 0.00 177.20 177.70 1lkj n GLY 131 N 3.14 -1.38 2.01 6.12 0.00 -1.26 -5.02 105.19 108.80 1lkj n GLY 131 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.02 1lkj n GLY 131 CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76 1lkj n SER 132 N 0.00 -0.29 -2.77 1.61 7.64 -1.26 -4.99 113.62 113.56 1lkj n SER 132 Ca 0.00 0.25 -0.03 0.00 1.01 0.00 0.00 58.87 60.10 1lkj n SER 132 Cb 0.00 0.40 0.05 0.00 -1.01 0.00 0.00 64.21 63.65 1lkj n SER 132 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 1lkj n GLY 133 N 1.18 2.08 2.84 0.23 0.00 -1.26 -5.05 105.19 105.22 1lkj n GLY 133 Ca 0.00 -1.19 -0.17 0.00 0.00 0.00 0.00 46.02 44.66 1lkj n GLY 133 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 1lkj s GLU 134 N -3.73 0.09 0.08 1.61 2.02 -1.26 -4.37 118.70 113.14 1lkj s GLU 134 Ca 0.29 0.49 0.08 0.00 0.02 0.00 0.00 54.97 55.85 1lkj s GLU 134 Cb 0.34 -0.51 -0.04 0.00 0.10 0.00 0.00 34.13 34.03 1lkj s GLU 134 CO -0.03 -0.40 -0.18 0.42 0.02 0.00 0.00 175.26 175.09 1lkj s ILE 135 N 2.32 2.80 0.01 -1.63 1.01 0.52 -4.68 121.20 121.54 1lkj s ILE 135 Ca 0.04 -1.37 -0.18 0.00 0.00 0.00 0.00 60.65 59.14 1lkj s ILE 135 Cb -0.13 -2.23 -0.06 0.00 0.01 0.00 0.00 42.46 40.05 1lkj s ILE 135 CO -0.08 0.20 0.50 0.20 0.00 0.00 0.00 174.94 175.76 1lkj s ASN 136 N -1.83 6.90 0.43 3.58 -0.87 -1.26 -1.36 114.94 120.53 1lkj s ASN 136 Ca 0.16 1.07 0.28 0.00 -1.57 0.00 0.00 52.86 52.80 1lkj s ASN 136 Cb -0.11 -2.31 0.93 0.00 -0.02 0.00 0.00 41.25 39.74 1lkj s ASN 136 CO 0.08 0.23 1.80 0.16 -2.57 0.00 0.00 177.10 176.80 1lkj h ILE 137 N 3.85 0.00 0.48 0.60 3.07 -1.89 -3.24 117.51 120.38 1lkj h ILE 137 Ca -0.48 -0.61 -0.02 0.00 1.55 0.00 0.00 64.86 65.29 1lkj h ILE 137 Cb 1.21 1.57 0.00 0.00 -0.27 0.00 0.00 36.82 39.33 1lkj h ILE 137 CO 0.65 0.00 -0.23 1.56 -1.05 0.00 0.00 178.15 179.08 1lkj h GLN 138 N 0.00 -0.62 -0.80 0.16 4.20 -1.93 0.17 115.11 116.29 1lkj h GLN 138 Ca 0.00 0.04 0.10 0.00 0.06 0.00 0.00 58.65 58.85 1lkj h GLN 138 Cb 0.66 0.14 -0.07 0.00 0.30 0.00 0.00 27.48 28.51 1lkj h GLN 138 CO 0.00 -0.42 0.44 -0.56 -0.67 0.00 0.00 178.83 177.62 1lkj h GLN 139 N -0.67 0.71 -0.59 1.46 3.07 -1.98 -1.49 115.11 115.62 1lkj h GLN 139 Ca -0.07 -0.04 -0.01 0.00 0.09 0.00 0.00 58.65 58.62 1lkj h GLN 139 Cb 0.50 -0.16 -0.03 0.00 0.08 0.00 0.00 27.48 27.87 1lkj h GLN 139 CO 0.11 0.47 0.34 0.35 0.09 0.00 0.00 178.83 180.19 1lkj h PHE 140 N 0.73 0.78 -0.21 0.06 3.04 -1.57 -1.98 116.94 117.80 1lkj h PHE 140 Ca 0.39 -0.01 -0.02 0.00 3.98 0.00 0.00 57.97 62.31 1lkj h PHE 140 Cb 0.38 -0.25 -0.01 0.00 2.56 0.00 0.00 35.95 38.62 1lkj h PHE 140 CO -0.07 0.55 0.03 0.00 -2.02 0.00 0.00 178.31 176.80 1lkj h ALA 141 N 1.17 1.67 -0.31 2.41 0.00 0.34 -2.46 119.26 122.08 1lkj h ALA 141 Ca 0.21 -0.10 -0.09 0.00 0.00 0.00 0.00 54.91 54.92 1lkj h ALA 141 Cb 0.01 -0.10 -0.01 0.00 0.00 0.00 0.00 17.79 17.69 1lkj h ALA 141 CO -0.04 0.25 -0.16 0.00 0.00 0.00 0.00 179.25 179.30 1lkj h ALA 142 N 1.75 0.44 -0.34 0.00 0.00 -0.63 0.26 119.26 120.73 1lkj h ALA 142 Ca 0.07 -0.34 -0.03 0.00 0.00 0.00 0.00 54.91 54.62 1lkj h ALA 142 Cb 0.15 -0.10 -0.02 0.00 0.00 0.00 0.00 17.79 17.82 1lkj h ALA 142 CO -0.00 0.35 0.10 -0.07 0.00 0.00 0.00 179.25 179.62 1lkj h LEU 143 N 0.41 0.45 0.19 0.00 3.38 -1.00 -2.74 115.31 116.01 1lkj h LEU 143 Ca 0.07 -0.05 -0.31 0.00 0.09 0.00 0.00 57.88 57.67 1lkj h LEU 143 Cb 0.69 -0.12 0.02 0.00 0.09 0.00 0.00 40.66 41.35 1lkj h LEU 143 CO 0.05 0.44 -1.37 -0.07 0.09 0.00 0.00 178.44 177.58 1lkj h LEU 144 N 0.49 0.68 0.00 1.67 3.38 -1.29 -3.45 115.31 116.80 1lkj h LEU 144 Ca 0.12 -0.72 0.00 0.00 0.09 0.00 0.00 57.88 57.36 1lkj h LEU 144 Cb 0.17 -0.22 0.00 0.00 0.09 0.00 0.00 40.66 40.70 1lkj h LEU 144 CO -0.01 1.56 0.00 -1.20 0.09 0.00 0.00 178.44 178.89 1lkj n SER 145 N -3.65 0.00 0.00 -0.43 7.64 0.07 -4.69 113.62 112.55 1lkj n SER 145 Ca -0.13 0.00 0.11 0.00 1.01 0.00 0.00 58.87 59.86 1lkj n SER 145 Cb 1.07 0.00 0.67 0.00 -1.01 0.00 0.00 64.21 64.94 1lkj n SER 145 CO 0.00 0.00 0.00 0.29 -3.01 0.00 0.00 175.04 172.32