#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1lkj s SER 2 N 0.00 -0.02 0.38 4.04 1.04 -1.26 -5.15 113.70 112.74 1lkj s SER 2 Ca 0.00 -0.97 0.00 0.00 0.48 0.00 0.00 55.95 55.46 1lkj s SER 2 Cb 0.00 0.74 0.00 0.00 0.10 0.00 0.00 66.02 66.86 1lkj s SER 2 CO 0.00 -1.47 0.00 -3.20 0.98 0.00 0.00 173.24 169.55 1lkj n ASN 3 N -1.28 -7.28 -4.69 7.02 5.15 -1.26 -4.74 115.26 108.18 1lkj n ASN 3 Ca -0.07 0.79 -0.34 0.00 -0.60 0.00 0.00 54.58 54.36 1lkj n ASN 3 Cb 0.60 -4.11 0.12 0.00 -0.53 0.00 0.00 39.78 35.86 1lkj n ASN 3 CO 0.00 0.00 0.00 0.18 1.40 0.00 0.00 177.26 178.84 1lkj n LEU 4 N -3.87 4.61 -5.00 1.20 4.77 -1.26 -5.02 117.00 112.43 1lkj n LEU 4 Ca -0.02 0.63 -0.20 0.00 -0.03 0.00 0.00 56.01 56.38 1lkj n LEU 4 Cb 0.65 -1.51 0.04 0.00 -2.33 0.00 0.00 43.42 40.28 1lkj n LEU 4 CO 0.02 -1.61 0.33 0.42 -1.33 0.00 0.00 177.39 175.22 1lkj s THR 5 N -2.00 2.60 0.25 -5.08 -4.23 -1.26 -4.86 115.64 101.07 1lkj s THR 5 Ca 0.75 -0.80 -0.05 0.00 -1.18 0.00 0.00 61.69 60.41 1lkj s THR 5 Cb -0.31 -2.80 0.26 0.00 1.34 0.00 0.00 72.50 70.99 1lkj s THR 5 CO 0.49 0.00 1.92 -0.33 -0.54 0.00 0.00 174.62 176.16 1lkj h GLU 6 N 0.15 1.29 -0.25 3.99 4.39 -1.98 0.16 114.58 122.34 1lkj h GLU 6 Ca -0.39 -0.08 -0.03 0.00 0.34 0.00 0.00 59.36 59.21 1lkj h GLU 6 Cb 1.29 -0.29 -0.01 0.00 -0.10 0.00 0.00 28.75 29.64 1lkj h GLU 6 CO 0.47 0.85 0.05 0.93 -1.16 0.00 0.00 179.01 180.15 1lkj h GLU 7 N 1.33 0.41 -0.47 2.33 5.08 -1.99 0.66 114.58 121.93 1lkj h GLU 7 Ca 0.38 -0.10 -0.10 0.00 -1.00 0.00 0.00 59.36 58.54 1lkj h GLU 7 Cb -0.10 -0.05 -0.02 0.00 0.50 0.00 0.00 28.75 29.09 1lkj h GLU 7 CO -0.10 0.52 -0.08 1.96 -1.00 0.00 0.00 179.01 180.31 1lkj h GLN 8 N 0.23 0.90 -0.16 2.33 4.20 -1.84 -2.37 115.11 118.39 1lkj h GLN 8 Ca 0.08 -0.33 -0.09 0.00 0.06 0.00 0.00 58.65 58.37 1lkj h GLN 8 Cb 0.30 -0.06 -0.01 0.00 0.30 0.00 0.00 27.48 28.01 1lkj h GLN 8 CO 0.00 0.97 -0.28 0.82 -0.67 0.00 0.00 178.83 179.68 1lkj h ILE 9 N 0.74 1.26 -0.15 2.54 2.04 -0.59 -2.61 117.51 120.74 1lkj h ILE 9 Ca 0.12 -1.22 -0.12 0.00 1.00 0.00 0.00 64.86 64.65 1lkj h ILE 9 Cb 0.63 1.44 -0.01 0.00 -0.74 0.00 0.00 36.82 38.13 1lkj h ILE 9 CO 0.04 0.37 -0.41 0.00 0.00 0.00 0.00 178.15 178.16 1lkj h ALA 10 N 1.44 1.02 0.06 1.87 0.00 -0.62 -2.09 119.26 120.94 1lkj h ALA 10 Ca 0.04 -0.42 -0.00 0.00 0.00 0.00 0.00 54.91 54.52 1lkj h ALA 10 Cb 0.63 -0.10 0.00 0.00 0.00 0.00 0.00 17.79 18.33 1lkj h ALA 10 CO 0.05 0.61 -0.03 1.49 0.00 0.00 0.00 179.25 181.37 1lkj h GLU 11 N 0.29 -0.08 -0.86 0.00 4.81 -1.07 -2.50 114.58 115.17 1lkj h GLU 11 Ca 0.03 0.01 0.00 0.00 -0.13 0.00 0.00 59.36 59.26 1lkj h GLU 11 Cb 0.85 0.02 -0.04 0.00 0.63 0.00 0.00 28.75 30.20 1lkj h GLU 11 CO 0.07 0.31 0.54 0.74 -0.73 0.00 0.00 179.01 179.94 1lkj h PHE 12 N -0.48 1.11 -0.96 0.92 0.04 -1.48 -2.08 116.94 114.01 1lkj h PHE 12 Ca -0.01 0.01 0.00 0.00 2.80 0.00 0.00 57.97 60.77 1lkj h PHE 12 Cb 0.42 -0.37 -0.05 0.00 2.20 0.00 0.00 35.95 38.16 1lkj h PHE 12 CO 0.06 0.72 0.60 -0.22 -0.60 0.00 0.00 178.31 178.87 1lkj h LYS 13 N 1.17 1.29 0.01 1.51 3.64 -1.32 0.31 116.57 123.18 1lkj h LYS 13 Ca 0.31 -0.10 -0.00 0.00 -1.27 0.00 0.00 60.65 59.59 1lkj h LYS 13 Cb -0.09 -0.28 0.00 0.00 -0.41 0.00 0.00 32.23 31.46 1lkj h LYS 13 CO -0.06 0.88 -0.00 0.93 -2.27 0.00 0.00 179.45 178.92 1lkj h GLU 14 N 1.32 -0.01 0.00 1.90 4.39 -0.92 0.31 114.58 121.57 1lkj h GLU 14 Ca 0.35 0.00 -0.08 0.00 0.34 0.00 0.00 59.36 59.97 1lkj h GLU 14 Cb -0.10 0.00 -0.01 0.00 -0.10 0.00 0.00 28.75 28.54 1lkj h GLU 14 CO -0.07 0.09 -0.39 0.00 -1.16 0.00 0.00 179.01 177.48 1lkj h ALA 15 N 0.89 1.13 -0.01 3.43 0.00 -1.19 -2.41 119.26 121.10 1lkj h ALA 15 Ca -0.00 -0.36 -0.18 0.00 0.00 0.00 0.00 54.91 54.37 1lkj h ALA 15 Cb 0.10 -0.06 0.01 0.00 0.00 0.00 0.00 17.79 17.84 1lkj h ALA 15 CO 0.00 0.49 -0.70 0.35 0.00 0.00 0.00 179.25 179.39 1lkj h PHE 16 N 0.00 0.72 0.00 0.00 3.04 0.02 -3.22 116.94 117.51 1lkj h PHE 16 Ca -0.00 -0.39 -0.07 0.00 3.98 0.00 0.00 57.97 61.48 1lkj h PHE 16 Cb 0.81 -0.08 -0.01 0.00 2.56 0.00 0.00 35.95 39.22 1lkj h PHE 16 CO 0.00 1.21 -0.35 0.00 -2.02 0.00 0.00 178.31 177.15 1lkj h ALA 17 N 0.35 1.40 -0.76 2.41 0.00 -0.33 0.22 119.26 122.54 1lkj h ALA 17 Ca -0.09 -0.32 -0.02 0.00 0.00 0.00 0.00 54.91 54.48 1lkj h ALA 17 Cb 1.40 -0.06 -0.04 0.00 0.00 0.00 0.00 17.79 19.10 1lkj h ALA 17 CO 0.14 0.44 0.39 -0.07 0.00 0.00 0.00 179.25 180.15 1lkj h LEU 18 N 0.00 0.98 0.00 0.00 3.38 -1.44 -3.05 115.31 115.18 1lkj h LEU 18 Ca -0.00 -0.12 -0.26 0.00 0.09 0.00 0.00 57.88 57.59 1lkj h LEU 18 Cb 0.63 -0.25 -0.05 0.00 0.09 0.00 0.00 40.66 41.08 1lkj h LEU 18 CO 0.05 0.82 -1.67 0.49 0.09 0.00 0.00 178.44 178.21 1lkj n PHE 19 N -4.41 0.94 -1.81 1.13 3.01 -1.08 -4.84 117.46 110.40 1lkj n PHE 19 Ca 0.07 0.33 -0.42 0.00 1.01 0.00 0.00 57.45 58.44 1lkj n PHE 19 Cb 0.11 -1.15 -0.03 0.00 -0.01 0.00 0.00 39.48 38.41 1lkj n PHE 19 CO 0.00 0.00 0.00 0.34 1.01 0.00 0.00 176.76 178.11 1lkj s ASP 20 N -5.97 6.41 0.00 4.37 2.15 0.75 -4.94 116.67 119.43 1lkj s ASP 20 Ca -0.04 2.36 0.00 0.00 0.43 0.00 0.00 52.55 55.30 1lkj s ASP 20 Cb 0.08 -2.53 0.00 0.00 -0.30 0.00 0.00 42.92 40.17 1lkj s ASP 20 CO 0.82 -1.13 0.02 0.29 -0.17 0.00 0.00 175.17 175.01 1lkj n LYS 21 N 7.55 0.00 -1.17 4.34 4.76 -1.26 -4.86 118.16 127.51 1lkj n LYS 21 Ca 0.20 0.00 -0.01 0.00 -2.87 0.00 0.00 58.31 55.63 1lkj n LYS 21 Cb 0.42 -0.52 0.01 0.00 -1.84 0.00 0.00 35.03 33.10 1lkj n LYS 21 CO 0.00 0.00 0.00 -3.47 -1.37 0.00 0.00 177.40 172.56 1lkj n ASP 22 N -0.02 -0.35 -0.04 4.39 2.03 -1.26 -5.02 116.55 116.28 1lkj n ASP 22 Ca 0.00 -0.92 -0.19 0.00 0.52 0.00 0.00 54.79 54.20 1lkj n ASP 22 Cb 0.00 0.14 -0.13 0.00 -0.72 0.00 0.00 41.12 40.41 1lkj n ASP 22 CO 0.00 0.00 0.00 0.78 -1.92 0.00 0.00 177.20 176.06 1lkj h ASN 23 N 0.13 0.17 0.00 1.67 2.35 -1.92 -3.48 115.58 114.50 1lkj h ASN 23 Ca -0.15 -0.80 0.00 0.00 -0.55 0.00 0.00 56.30 54.80 1lkj h ASN 23 Cb 0.91 -0.06 0.00 0.00 0.05 0.00 0.00 38.32 39.22 1lkj h ASN 23 CO -0.07 1.39 0.00 -0.46 -1.65 0.00 0.00 177.43 176.64 1lkj n ASN 24 N -4.28 0.00 0.00 5.81 6.94 -1.26 -5.04 115.26 117.44 1lkj n ASN 24 Ca -0.22 0.00 0.00 0.00 -0.02 0.00 0.00 54.58 54.34 1lkj n ASN 24 Cb 0.71 0.00 0.00 0.00 -2.36 0.00 0.00 39.78 38.13 1lkj n ASN 24 CO 0.00 0.00 0.00 0.61 -1.03 0.00 0.00 177.26 176.84 1lkj n GLY 25 N -1.02 0.00 3.05 4.83 0.00 -1.26 -5.09 105.19 105.69 1lkj n GLY 25 Ca 0.00 0.00 -0.16 0.00 0.00 0.00 0.00 46.02 45.86 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 0.00 0.98 0.25 1.61 1.04 -1.26 -2.72 113.70 113.60 1lkj s SER 26 Ca 0.00 -0.36 0.12 0.00 0.48 0.00 0.00 55.95 56.18 1lkj s SER 26 Cb 0.00 -0.04 -0.05 0.00 0.10 0.00 0.00 66.02 66.03 1lkj s SER 26 CO 0.00 -0.05 -0.20 0.27 0.98 0.00 0.00 173.24 174.24 1lkj s ILE 27 N -0.80 2.50 0.59 -1.02 -4.36 0.74 -4.61 121.20 114.25 1lkj s ILE 27 Ca -0.03 -2.26 -0.10 0.00 -0.26 0.00 0.00 60.65 58.00 1lkj s ILE 27 Cb -0.07 -2.28 -0.04 0.00 1.25 0.00 0.00 42.46 41.33 1lkj s ILE 27 CO 0.00 -0.31 0.98 -0.44 0.24 0.00 0.00 174.94 175.41 1lkj s SER 28 N -3.26 6.22 0.46 4.36 0.01 -1.26 -0.44 113.70 119.78 1lkj s SER 28 Ca 0.27 1.30 0.20 0.00 1.31 0.00 0.00 55.95 59.04 1lkj s SER 28 Cb -0.06 -2.41 1.11 0.00 0.21 0.00 0.00 66.02 64.88 1lkj s SER 28 CO 0.14 -0.82 1.97 0.28 0.41 0.00 0.00 173.24 175.22 1lkj h SER 29 N -0.21 0.00 -0.01 2.44 0.02 -1.98 -2.29 113.55 111.52 1lkj h SER 29 Ca -0.45 0.00 -0.02 0.00 -0.84 0.00 0.00 61.79 60.49 1lkj h SER 29 Cb 1.19 0.00 -0.01 0.00 0.14 0.00 0.00 62.40 63.73 1lkj h SER 29 CO 0.62 0.21 -0.03 -1.28 -1.14 0.00 0.00 176.83 175.21 1lkj h SER 30 N 0.00 0.10 0.56 3.07 0.87 -1.97 -1.94 113.55 114.24 1lkj h SER 30 Ca -0.00 -0.01 0.00 0.00 -1.23 0.00 0.00 61.79 60.55 1lkj h SER 30 Cb 0.44 -0.03 0.00 0.00 -0.44 0.00 0.00 62.40 62.37 1lkj h SER 30 CO 0.03 0.15 -1.06 -0.62 -0.53 0.00 0.00 176.83 174.79 1lkj n GLU 31 N -4.44 0.39 0.03 2.24 1.02 -0.90 -4.33 120.64 114.65 1lkj n GLU 31 Ca -0.02 0.01 -0.10 0.00 -0.02 0.00 0.00 57.16 57.03 1lkj n GLU 31 Cb 0.15 -1.65 -0.04 0.00 -0.02 0.00 0.00 31.44 29.89 1lkj n GLU 31 CO 0.00 0.00 0.00 1.25 1.18 0.00 0.00 177.13 179.56 1lkj h LEU 32 N 0.00 -0.72 -0.99 -4.62 5.85 -0.99 0.47 115.31 114.31 1lkj h LEU 32 Ca 0.00 0.11 0.03 0.00 0.84 0.00 0.00 57.88 58.86 1lkj h LEU 32 Cb 0.81 0.31 -0.05 0.00 0.37 0.00 0.00 40.66 42.10 1lkj h LEU 32 CO 0.00 -0.30 0.65 0.00 -0.34 0.00 0.00 178.44 178.45 1lkj h ALA 33 N 0.57 1.29 -0.36 1.25 0.00 -1.75 -1.79 119.26 118.46 1lkj h ALA 33 Ca 0.08 -0.05 -0.14 0.00 0.00 0.00 0.00 54.91 54.80 1lkj h ALA 33 Cb 0.45 -0.37 -0.01 0.00 0.00 0.00 0.00 17.79 17.86 1lkj h ALA 33 CO -0.26 0.57 -0.33 1.15 0.00 0.00 0.00 179.25 180.38 1lkj h THR 34 N 1.28 1.28 -0.56 0.00 2.02 -1.53 -2.52 112.91 112.88 1lkj h THR 34 Ca 0.38 -1.48 -0.03 0.00 0.77 0.00 0.00 66.41 66.05 1lkj h THR 34 Cb -0.05 1.34 -0.03 0.00 -1.74 0.00 0.00 68.15 67.68 1lkj h THR 34 CO -0.11 0.49 0.22 0.58 0.37 0.00 0.00 175.52 177.07 1lkj h VAL 35 N 0.68 1.21 -0.29 3.16 2.07 0.56 -1.88 116.25 121.75 1lkj h VAL 35 Ca 0.07 -0.65 -0.14 0.00 0.82 0.00 0.00 66.70 66.80 1lkj h VAL 35 Cb 0.87 0.55 -0.01 0.00 -1.52 0.00 0.00 31.29 31.18 1lkj h VAL 35 CO 0.08 0.26 -0.38 0.24 0.02 0.00 0.00 177.57 177.78 1lkj h MET 36 N 0.80 0.69 -0.40 1.57 2.86 -1.16 -2.57 114.93 116.72 1lkj h MET 36 Ca 0.19 -0.35 -0.08 0.00 -2.06 0.00 0.00 59.70 57.40 1lkj h MET 36 Cb 0.17 0.00 -0.02 0.00 0.06 0.00 0.00 31.60 31.82 1lkj h MET 36 CO -0.02 0.96 -0.09 0.00 1.06 0.00 0.00 176.91 178.82 1lkj h ARG 37 N 0.57 0.69 -0.33 1.72 3.08 -0.98 -1.84 114.38 117.29 1lkj h ARG 37 Ca 0.05 -0.21 -0.14 0.00 0.07 0.00 0.00 59.98 59.75 1lkj h ARG 37 Cb 0.91 -0.07 -0.01 0.00 0.08 0.00 0.00 29.97 30.89 1lkj h ARG 37 CO 0.08 0.76 -0.36 0.77 -1.07 0.00 0.00 179.97 180.16 1lkj h SER 38 N 0.63 0.79 0.25 7.04 0.02 -1.21 -2.79 113.55 118.29 1lkj h SER 38 Ca 0.11 -0.34 -0.03 0.00 -0.84 0.00 0.00 61.79 60.69 1lkj h SER 38 Cb 0.52 -0.22 -0.00 0.00 0.14 0.00 0.00 62.40 62.84 1lkj h SER 38 CO 0.03 1.07 -0.14 -0.07 -1.14 0.00 0.00 176.83 176.58 1lkj h LEU 39 N 0.63 0.00 0.00 5.07 3.38 -1.21 -3.45 115.31 119.73 1lkj h LEU 39 Ca 0.06 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.03 1lkj h LEU 39 Cb 0.90 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.65 1lkj h LEU 39 CO 0.08 0.14 0.00 0.61 0.09 0.00 0.00 178.44 179.36 1lkj n GLY 40 N -0.89 0.58 3.53 0.83 0.00 -1.05 -5.12 105.19 103.06 1lkj n GLY 40 Ca -0.02 0.00 -0.26 0.00 0.00 0.00 0.00 46.02 45.74 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 2.06 -0.41 0.99 1.43 -0.71 -5.00 118.68 117.04 1lkj s LEU 41 Ca 0.00 -1.61 0.04 0.00 -1.03 0.00 0.00 54.13 51.53 1lkj s LEU 41 Cb 0.00 -0.23 0.30 0.00 0.03 0.00 0.00 46.19 46.29 1lkj s LEU 41 CO 0.00 -0.86 1.17 -1.54 0.23 0.00 0.00 176.35 175.35 1lkj n SER 42 N -1.17 -1.99 -4.75 2.29 3.41 -1.26 -4.22 113.62 105.92 1lkj n SER 42 Ca -0.07 -2.82 -0.41 0.00 -0.26 0.00 0.00 58.87 55.32 1lkj n SER 42 Cb 0.65 1.51 -0.04 0.00 -0.26 0.00 0.00 64.21 66.08 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 0.27 4.58 1.23 4.33 0.04 -1.26 -5.02 135.00 139.18 1lkj s PRO 43 Ca 0.24 1.82 -0.15 0.00 0.04 0.00 0.00 61.00 62.96 1lkj s PRO 43 Cb 0.27 -3.21 0.31 0.00 0.04 0.00 0.00 34.50 31.90 1lkj s PRO 43 CO -0.14 0.10 1.00 -1.12 0.04 0.00 0.00 177.00 176.88 1lkj s SER 44 N -0.47 0.40 0.56 6.66 0.01 -1.26 -4.65 113.70 114.95 1lkj s SER 44 Ca 0.48 1.39 0.24 0.00 1.31 0.00 0.00 55.95 59.36 1lkj s SER 44 Cb -0.32 -2.14 1.56 0.00 0.21 0.00 0.00 66.02 65.34 1lkj s SER 44 CO 0.39 -4.54 2.20 -0.08 0.41 0.00 0.00 173.24 171.62 1lkj h GLU 45 N -2.85 0.00 -0.30 12.44 4.81 -2.00 -1.97 114.58 124.71 1lkj h GLU 45 Ca -0.60 0.00 -0.09 0.00 -0.13 0.00 0.00 59.36 58.54 1lkj h GLU 45 Cb 1.34 0.00 -0.01 0.00 0.63 0.00 0.00 28.75 30.71 1lkj h GLU 45 CO 0.47 0.00 -0.16 0.00 -0.73 0.00 0.00 179.01 178.59 1lkj h ALA 46 N 1.98 0.42 -0.59 2.92 0.00 -2.00 -2.17 119.26 119.82 1lkj h ALA 46 Ca 0.01 -0.34 -0.07 0.00 0.00 0.00 0.00 54.91 54.52 1lkj h ALA 46 Cb 0.05 -0.10 -0.02 0.00 0.00 0.00 0.00 17.79 17.72 1lkj h ALA 46 CO -0.00 0.33 0.11 0.93 0.00 0.00 0.00 179.25 180.62 1lkj h GLU 47 N 0.39 0.97 -0.73 0.00 5.08 -1.68 -2.58 114.58 116.02 1lkj h GLU 47 Ca 0.06 -0.25 -0.03 0.00 -1.00 0.00 0.00 59.36 58.14 1lkj h GLU 47 Cb 0.69 -0.12 -0.03 0.00 0.50 0.00 0.00 28.75 29.79 1lkj h GLU 47 CO 0.05 0.91 0.32 0.28 -1.00 0.00 0.00 179.01 179.56 1lkj h VAL 48 N 0.87 1.24 -0.77 3.13 2.07 -1.41 -2.47 116.25 118.92 1lkj h VAL 48 Ca 0.18 -0.72 -0.03 0.00 0.82 0.00 0.00 66.70 66.95 1lkj h VAL 48 Cb 0.40 0.33 -0.03 0.00 -1.52 0.00 0.00 31.29 30.47 1lkj h VAL 48 CO 0.01 0.30 0.34 -1.13 0.02 0.00 0.00 177.57 177.11 1lkj h ASN 49 N 1.05 1.02 -0.11 0.57 -0.73 -1.10 -1.27 115.58 115.01 1lkj h ASN 49 Ca 0.25 -0.15 -0.00 0.00 1.87 0.00 0.00 56.30 58.27 1lkj h ASN 49 Cb 0.15 -0.26 -0.01 0.00 0.27 0.00 0.00 38.32 38.48 1lkj h ASN 49 CO -0.03 0.89 0.06 -0.78 -0.37 0.00 0.00 177.43 177.20 1lkj h ASP 50 N 1.09 0.14 -0.80 1.15 3.58 -1.07 0.11 116.42 120.61 1lkj h ASP 50 Ca 0.26 -0.10 -0.01 0.00 0.42 0.00 0.00 57.03 57.60 1lkj h ASP 50 Cb 0.16 -0.04 -0.04 0.00 1.72 0.00 0.00 39.33 41.13 1lkj h ASP 50 CO -0.03 0.20 0.45 -0.07 -2.88 0.00 0.00 179.24 176.91 1lkj h LEU 51 N 0.07 1.00 -1.04 2.28 3.38 -1.26 -1.76 115.31 117.98 1lkj h LEU 51 Ca 0.04 -0.08 -0.10 0.00 0.09 0.00 0.00 57.88 57.83 1lkj h LEU 51 Cb 0.09 -0.25 -0.01 0.00 0.09 0.00 0.00 40.66 40.57 1lkj h LEU 51 CO -0.01 0.80 -0.47 0.24 0.09 0.00 0.00 178.44 179.09 1lkj h MET 52 N 1.13 0.00 -0.49 1.13 2.86 -0.91 -2.48 114.93 116.17 1lkj h MET 52 Ca 0.29 0.00 -0.12 0.00 -2.06 0.00 0.00 59.70 57.81 1lkj h MET 52 Cb 0.01 0.00 -0.02 0.00 0.06 0.00 0.00 31.60 31.66 1lkj h MET 52 CO -0.05 0.47 -0.15 -0.97 1.06 0.00 0.00 176.91 177.27 1lkj h ASN 53 N 0.00 0.97 0.14 1.22 -1.24 -0.10 0.62 115.58 117.19 1lkj h ASN 53 Ca -0.00 -0.33 -0.17 0.00 0.71 0.00 0.00 56.30 56.50 1lkj h ASN 53 Cb 0.85 -0.26 -0.00 0.00 0.73 0.00 0.00 38.32 39.63 1lkj h ASN 53 CO 0.06 1.11 -0.64 -0.08 -1.29 0.00 0.00 177.43 176.58 1lkj h GLU 54 N 0.84 0.48 0.00 6.67 4.81 -1.30 -2.44 114.58 123.65 1lkj h GLU 54 Ca 0.12 -0.35 0.00 0.00 -0.13 0.00 0.00 59.36 59.01 1lkj h GLU 54 Cb 0.71 0.06 0.00 0.00 0.63 0.00 0.00 28.75 30.15 1lkj h GLU 54 CO 0.05 0.96 -0.14 0.82 -0.73 0.00 0.00 179.01 179.98 1lkj h ILE 55 N 0.35 0.00 0.06 2.32 2.04 -1.30 -3.39 117.51 117.59 1lkj h ILE 55 Ca -0.01 -0.91 0.02 0.00 1.00 0.00 0.00 64.86 64.96 1lkj h ILE 55 Cb 1.20 0.00 -0.05 0.00 -0.74 0.00 0.00 36.82 37.23 1lkj h ILE 55 CO 0.12 0.00 -0.52 -0.78 0.00 0.00 0.00 178.15 176.96 1lkj h ASP 56 N -0.91 -1.60 0.00 1.72 3.58 0.10 -3.44 116.42 115.88 1lkj h ASP 56 Ca 0.00 0.17 0.00 0.00 0.42 0.00 0.00 57.03 57.62 1lkj h ASP 56 Cb 0.14 0.60 0.00 0.00 1.72 0.00 0.00 39.33 41.79 1lkj h ASP 56 CO 0.00 -0.53 0.00 0.52 -2.88 0.00 0.00 179.24 176.35 1lkj n VAL 57 N -5.40 0.00 0.08 2.25 0.31 -0.92 -3.95 118.33 110.71 1lkj n VAL 57 Ca -0.08 0.00 0.00 0.00 -0.01 0.00 0.00 64.34 64.25 1lkj n VAL 57 Cb 0.40 0.00 0.00 0.00 -0.91 0.00 0.00 33.84 33.33 1lkj n VAL 57 CO 0.00 0.00 0.00 -0.67 -1.32 0.00 0.00 176.83 174.84 1lkj n ASP 58 N 0.00 -1.50 0.00 4.52 -0.08 -1.26 -5.04 116.55 113.18 1lkj n ASP 58 Ca 0.00 0.36 0.00 0.00 -1.51 0.00 0.00 54.79 53.64 1lkj n ASP 58 Cb 0.00 1.66 0.00 0.00 2.34 0.00 0.00 41.12 45.12 1lkj n ASP 58 CO 0.00 0.00 0.00 0.61 0.12 0.00 0.00 177.20 177.93 1lkj n GLY 59 N -1.46 0.00 2.78 0.27 0.00 -1.25 -5.11 105.19 100.42 1lkj n GLY 59 Ca 0.00 0.00 0.03 0.00 0.00 0.00 0.00 46.02 46.05 1lkj n GLY 59 CO 0.00 0.00 0.00 -1.31 0.00 0.00 0.00 173.32 172.01 1lkj s ASN 60 N 0.00 -0.09 -0.27 1.61 0.02 -1.26 -5.14 114.94 109.81 1lkj s ASN 60 Ca 0.00 -0.03 -0.02 0.00 -1.02 0.00 0.00 52.86 51.79 1lkj s ASN 60 Cb 0.00 0.31 0.16 0.00 0.02 0.00 0.00 41.25 41.73 1lkj s ASN 60 CO 0.00 -0.01 0.46 -2.28 0.02 0.00 0.00 177.10 175.29 1lkj s HIS 61 N 2.20 -1.13 0.13 2.20 2.46 -1.26 -4.98 115.29 114.90 1lkj s HIS 61 Ca 0.18 1.12 -0.29 0.00 0.47 0.00 0.00 55.06 56.54 1lkj s HIS 61 Cb 0.04 0.21 -0.06 0.00 -0.13 0.00 0.00 32.58 32.63 1lkj s HIS 61 CO -0.18 -0.80 0.93 -0.65 -2.47 0.00 0.00 174.74 171.58 1lkj s GLN 62 N 2.66 4.70 -0.23 2.88 -0.21 -1.26 -4.45 119.66 123.75 1lkj s GLN 62 Ca 0.15 1.41 -0.21 0.00 0.02 0.00 0.00 55.36 56.73 1lkj s GLN 62 Cb -0.15 -3.36 -0.02 0.00 1.00 0.00 0.00 33.01 30.48 1lkj s GLN 62 CO -0.19 0.29 0.64 0.42 -2.12 0.00 0.00 175.29 174.33 1lkj s ILE 63 N -0.25 4.99 0.38 1.08 1.01 0.41 -4.86 121.20 123.96 1lkj s ILE 63 Ca 0.45 1.19 -0.01 0.00 0.00 0.00 0.00 60.65 62.28 1lkj s ILE 63 Cb -0.23 -3.95 -0.03 0.00 0.01 0.00 0.00 42.46 38.25 1lkj s ILE 63 CO 0.29 0.06 0.61 -1.61 0.00 0.00 0.00 174.94 174.29 1lkj s GLU 64 N 2.24 3.48 0.54 2.79 2.02 -1.26 -0.18 118.70 128.32 1lkj s GLU 64 Ca 0.28 -0.22 0.24 0.00 0.02 0.00 0.00 54.97 55.29 1lkj s GLU 64 Cb -0.16 -2.60 1.41 0.00 0.10 0.00 0.00 34.13 32.89 1lkj s GLU 64 CO 0.09 0.06 2.04 0.35 0.02 0.00 0.00 175.26 177.81 1lkj h PHE 65 N 0.62 0.00 0.23 1.61 3.57 -1.93 0.12 116.94 121.16 1lkj h PHE 65 Ca -0.49 0.00 -0.01 0.00 3.53 0.00 0.00 57.97 61.00 1lkj h PHE 65 Cb 1.22 0.00 0.00 0.00 2.79 0.00 0.00 35.95 39.96 1lkj h PHE 65 CO 0.52 0.00 -0.11 0.77 -2.23 0.00 0.00 178.31 177.26 1lkj h SER 66 N 0.00 -0.26 -0.13 0.41 0.02 -1.93 -1.82 113.55 109.85 1lkj h SER 66 Ca 0.18 -0.26 -0.08 0.00 -0.84 0.00 0.00 61.79 60.79 1lkj h SER 66 Cb 0.75 0.07 -0.02 0.00 0.14 0.00 0.00 62.40 63.35 1lkj h SER 66 CO -0.00 0.17 -0.17 -0.33 -1.14 0.00 0.00 176.83 175.35 1lkj h GLU 67 N -0.75 0.52 -0.09 3.45 5.08 -1.80 -2.65 114.58 118.34 1lkj h GLU 67 Ca -0.03 -0.17 -0.00 0.00 -1.00 0.00 0.00 59.36 58.15 1lkj h GLU 67 Cb 0.50 -0.04 -0.00 0.00 0.50 0.00 0.00 28.75 29.70 1lkj h GLU 67 CO 0.05 0.68 0.04 0.35 -1.00 0.00 0.00 179.01 179.13 1lkj h PHE 68 N 0.47 0.14 -0.99 4.33 3.57 -0.79 -0.70 116.94 122.97 1lkj h PHE 68 Ca 0.08 -0.01 0.02 0.00 3.53 0.00 0.00 57.97 61.59 1lkj h PHE 68 Cb 0.58 -0.04 -0.05 0.00 2.79 0.00 0.00 35.95 39.22 1lkj h PHE 68 CO 0.02 0.21 0.66 -0.07 -2.23 0.00 0.00 178.31 176.90 1lkj h LEU 69 N 0.02 1.12 -0.21 0.59 3.38 -1.21 -0.70 115.31 118.31 1lkj h LEU 69 Ca 0.03 -0.02 -0.03 0.00 0.09 0.00 0.00 57.88 57.95 1lkj h LEU 69 Cb 0.13 -0.27 -0.01 0.00 0.09 0.00 0.00 40.66 40.60 1lkj h LEU 69 CO -0.00 0.79 0.02 0.00 0.09 0.00 0.00 178.44 179.33 1lkj h ALA 70 N 1.40 0.28 -0.67 1.53 0.00 -1.19 -1.78 119.26 118.83 1lkj h ALA 70 Ca 0.38 -0.19 -0.01 0.00 0.00 0.00 0.00 54.91 55.09 1lkj h ALA 70 Cb -0.09 -0.08 -0.03 0.00 0.00 0.00 0.00 17.79 17.59 1lkj h ALA 70 CO -0.10 -0.02 0.39 -0.07 0.00 0.00 0.00 179.25 179.46 1lkj h LEU 71 N 0.14 0.81 -1.23 0.00 3.38 -0.74 -2.12 115.31 115.55 1lkj h LEU 71 Ca 0.06 -0.07 -0.04 0.00 0.09 0.00 0.00 57.88 57.92 1lkj h LEU 71 Cb 0.36 -0.21 -0.02 0.00 0.09 0.00 0.00 40.66 40.88 1lkj h LEU 71 CO 0.01 0.65 0.11 0.24 0.09 0.00 0.00 178.44 179.54 1lkj h MET 72 N 0.91 0.64 -0.38 1.13 2.86 -1.02 -2.56 114.93 116.51 1lkj h MET 72 Ca 0.24 -0.11 -0.01 0.00 -2.06 0.00 0.00 59.70 57.76 1lkj h MET 72 Cb -0.01 -0.11 -0.02 0.00 0.06 0.00 0.00 31.60 31.53 1lkj h MET 72 CO -0.04 0.58 0.20 1.03 1.06 0.00 0.00 176.91 179.73 1lkj h SER 73 N 0.63 0.48 -0.74 1.22 0.87 -0.65 0.71 113.55 116.07 1lkj h SER 73 Ca 0.14 -0.11 -0.03 0.00 -1.23 0.00 0.00 61.79 60.57 1lkj h SER 73 Cb 0.23 -0.12 -0.04 0.00 -0.44 0.00 0.00 62.40 62.03 1lkj h SER 73 CO -0.00 0.45 0.37 0.08 -0.53 0.00 0.00 176.83 177.19 1lkj h ARG 74 N 0.48 1.08 0.07 2.24 0.11 -1.15 0.30 114.38 117.50 1lkj h ARG 74 Ca 0.13 -0.15 -0.26 0.00 0.10 0.00 0.00 59.98 59.81 1lkj h ARG 74 Cb 0.09 -0.20 0.01 0.00 1.11 0.00 0.00 29.97 30.97 1lkj h ARG 74 CO -0.02 0.83 -1.11 1.96 0.10 0.00 0.00 179.97 181.73 1lkj h GLN 75 N 1.07 0.37 0.00 0.08 4.20 -1.07 -3.22 115.11 116.54 1lkj h GLN 75 Ca 0.26 -0.50 -0.04 0.00 0.06 0.00 0.00 58.65 58.43 1lkj h GLN 75 Cb 0.10 0.16 -0.01 0.00 0.30 0.00 0.00 27.48 28.04 1lkj h GLN 75 CO -0.03 1.18 -0.20 -0.07 -0.67 0.00 0.00 178.83 179.04 1lkj h LEU 76 N 0.16 0.00 0.00 1.46 3.38 0.76 -3.45 115.31 117.62 1lkj h LEU 76 Ca -0.12 0.00 -0.23 0.00 0.09 0.00 0.00 57.88 57.62 1lkj h LEU 76 Cb 1.79 0.00 0.14 0.00 0.09 0.00 0.00 40.66 42.67 1lkj h LEU 76 CO 0.19 0.20 -0.11 1.17 0.09 0.00 0.00 178.44 179.97 1lkj n LYS 77 N -3.21 -3.60 0.00 1.13 4.81 0.10 -5.03 118.16 112.36 1lkj n LYS 77 Ca 0.02 -0.92 0.00 0.00 -0.87 0.00 0.00 58.31 56.54 1lkj n LYS 77 Cb 0.53 -1.25 0.00 0.00 0.02 0.00 0.00 35.03 34.33 1lkj n LYS 77 CO 0.00 0.00 0.00 0.43 1.17 0.00 0.00 177.40 179.00 1lkj n SER 78 N -4.49 0.00 -3.40 3.14 7.64 -1.26 -4.78 113.62 110.47 1lkj n SER 78 Ca 0.09 0.00 -0.16 0.00 1.01 0.00 0.00 58.87 59.80 1lkj n SER 78 Cb 0.38 0.00 0.03 0.00 -1.01 0.00 0.00 64.21 63.61 1lkj n SER 78 CO 0.00 0.00 0.00 0.59 -3.01 0.00 0.00 175.04 172.62 1lkj n ASN 79 N 0.00 -6.37 -3.25 6.43 5.03 -1.26 -5.00 115.26 110.83 1lkj n ASN 79 Ca 0.00 -0.63 -0.04 0.00 0.87 0.00 0.00 54.58 54.78 1lkj n ASN 79 Cb 0.00 -4.14 -0.04 0.00 -1.02 0.00 0.00 39.78 34.58 1lkj n ASN 79 CO 0.00 0.00 0.00 1.51 -1.83 0.00 0.00 177.26 176.94 1lkj s ASP 80 N -3.22 -0.36 0.00 6.41 -4.77 -1.26 -5.03 116.67 108.44 1lkj s ASP 80 Ca 0.24 0.00 -0.19 0.00 -3.30 0.00 0.00 52.55 49.30 1lkj s ASP 80 Cb -0.06 1.47 -0.30 0.00 -1.09 0.00 0.00 42.92 42.93 1lkj s ASP 80 CO 0.80 -0.32 1.00 0.28 0.70 0.00 0.00 175.17 177.64 1lkj h SER 81 N 8.10 0.65 -0.88 2.11 0.02 -2.00 -3.15 113.55 118.40 1lkj h SER 81 Ca -0.10 -0.88 0.06 0.00 -0.84 0.00 0.00 61.79 60.03 1lkj h SER 81 Cb 1.15 -0.21 -0.06 0.00 0.14 0.00 0.00 62.40 63.43 1lkj h SER 81 CO 0.24 1.47 0.57 1.05 -1.14 0.00 0.00 176.83 179.02 1lkj h GLU 82 N -0.08 0.99 -0.07 3.45 4.11 -1.95 -0.93 114.58 120.10 1lkj h GLU 82 Ca -0.16 -0.06 -0.10 0.00 0.07 0.00 0.00 59.36 59.12 1lkj h GLU 82 Cb 1.73 -0.22 -0.01 0.00 0.50 0.00 0.00 28.75 30.74 1lkj h GLU 82 CO 0.19 0.65 -0.40 1.96 0.07 0.00 0.00 179.01 181.48 1lkj h GLN 83 N 1.02 0.14 -0.45 1.06 1.08 -1.99 -2.70 115.11 113.28 1lkj h GLN 83 Ca 0.37 -0.06 -0.06 0.00 -1.45 0.00 0.00 58.65 57.45 1lkj h GLN 83 Cb 0.16 -0.00 -0.02 0.00 -0.05 0.00 0.00 27.48 27.57 1lkj h GLN 83 CO -0.13 0.52 0.04 0.93 -0.95 0.00 0.00 178.83 179.24 1lkj h GLU 84 N 0.12 0.77 -0.44 1.46 4.39 -1.13 -1.45 114.58 118.30 1lkj h GLU 84 Ca 0.01 -0.23 -0.05 0.00 0.34 0.00 0.00 59.36 59.44 1lkj h GLU 84 Cb 0.76 -0.08 -0.02 0.00 -0.10 0.00 0.00 28.75 29.31 1lkj h GLU 84 CO 0.06 0.81 0.08 -0.07 -1.16 0.00 0.00 179.01 178.73 1lkj h LEU 85 N 0.62 0.69 -1.42 1.33 3.38 -1.32 -2.43 115.31 116.17 1lkj h LEU 85 Ca 0.13 -0.25 -0.04 0.00 0.09 0.00 0.00 57.88 57.81 1lkj h LEU 85 Cb 0.44 -0.18 -0.01 0.00 0.09 0.00 0.00 40.66 40.99 1lkj h LEU 85 CO 0.02 0.77 -0.05 -0.07 0.09 0.00 0.00 178.44 179.19 1lkj h LEU 86 N 0.58 0.30 -0.18 1.67 3.38 -1.36 -1.99 115.31 117.70 1lkj h LEU 86 Ca 0.13 -0.05 -0.03 0.00 0.09 0.00 0.00 57.88 58.02 1lkj h LEU 86 Cb 0.36 -0.08 -0.01 0.00 0.09 0.00 0.00 40.66 41.03 1lkj h LEU 86 CO 0.01 0.39 -0.00 -0.08 0.09 0.00 0.00 178.44 178.85 1lkj h GLU 87 N 0.31 0.32 -0.36 1.13 4.57 -0.88 -1.36 114.58 118.31 1lkj h GLU 87 Ca 0.07 -0.10 -0.02 0.00 -1.18 0.00 0.00 59.36 58.13 1lkj h GLU 87 Cb 0.29 -0.03 -0.02 0.00 -0.16 0.00 0.00 28.75 28.84 1lkj h GLU 87 CO 0.01 0.54 0.16 0.00 -1.18 0.00 0.00 179.01 178.54 1lkj h ALA 88 N 0.78 0.47 -0.34 2.92 0.00 -1.17 -2.41 119.26 119.52 1lkj h ALA 88 Ca 0.05 -0.12 -0.02 0.00 0.00 0.00 0.00 54.91 54.82 1lkj h ALA 88 Cb 0.39 -0.14 -0.02 0.00 0.00 0.00 0.00 17.79 18.02 1lkj h ALA 88 CO 0.01 0.06 0.13 0.74 0.00 0.00 0.00 179.25 180.19 1lkj h PHE 89 N 0.45 0.47 -0.55 0.00 0.04 -1.32 -2.30 116.94 113.73 1lkj h PHE 89 Ca 0.12 -0.01 -0.07 0.00 2.80 0.00 0.00 57.97 60.81 1lkj h PHE 89 Cb 0.16 -0.15 -0.02 0.00 2.20 0.00 0.00 35.95 38.14 1lkj h PHE 89 CO -0.01 0.38 0.05 0.87 -0.60 0.00 0.00 178.31 179.00 1lkj h LYS 90 N 0.48 0.94 -0.26 1.51 1.57 -0.77 -1.59 116.57 118.45 1lkj h LYS 90 Ca 0.12 -0.27 -0.07 0.00 -1.87 0.00 0.00 60.65 58.56 1lkj h LYS 90 Cb 0.10 -0.10 -0.01 0.00 0.08 0.00 0.00 32.23 32.30 1lkj h LYS 90 CO -0.01 0.92 -0.13 0.28 -0.57 0.00 0.00 179.45 179.94 1lkj h VAL 91 N 0.83 1.22 0.00 0.50 2.07 -0.97 -2.47 116.25 117.42 1lkj h VAL 91 Ca 0.16 -0.98 -0.12 0.00 0.82 0.00 0.00 66.70 66.58 1lkj h VAL 91 Cb 0.47 1.17 -0.02 0.00 -1.52 0.00 0.00 31.29 31.39 1lkj h VAL 91 CO 0.02 0.32 -0.59 -0.26 0.02 0.00 0.00 177.57 177.07 1lkj h PHE 92 N 0.40 0.00 -4.04 1.57 -1.00 -1.13 -3.45 116.94 109.29 1lkj h PHE 92 Ca 0.08 0.00 -0.45 0.00 2.81 0.00 0.00 57.97 60.41 1lkj h PHE 92 Cb 0.47 0.00 0.16 0.00 3.61 0.00 0.00 35.95 40.19 1lkj h PHE 92 CO 0.01 0.59 0.36 0.34 -1.61 0.00 0.00 178.31 178.00 1lkj s ASP 93 N -6.62 2.97 -0.36 2.17 2.15 -0.63 -5.04 116.67 111.32 1lkj s ASP 93 Ca 0.00 0.47 0.14 0.00 0.43 0.00 0.00 52.55 53.59 1lkj s ASP 93 Cb 0.11 -0.66 0.43 0.00 -0.30 0.00 0.00 42.92 42.50 1lkj s ASP 93 CO 0.74 -2.84 1.14 1.17 -0.17 0.00 0.00 175.17 175.21 1lkj n LYS 94 N -3.88 1.17 0.13 4.34 3.00 -1.26 -4.97 118.16 116.69 1lkj n LYS 94 Ca 0.13 -2.59 0.00 0.00 -0.00 0.00 0.00 58.31 55.85 1lkj n LYS 94 Cb 0.60 -0.69 0.00 0.00 0.00 0.00 0.00 35.03 34.93 1lkj n LYS 94 CO 0.00 0.00 0.00 -1.71 0.00 0.00 0.00 177.40 175.69 1lkj n ASN 95 N -0.30 -2.32 0.00 3.14 5.15 -1.26 -5.05 115.26 114.62 1lkj n ASN 95 Ca 0.04 0.62 0.00 0.00 -0.60 0.00 0.00 54.58 54.64 1lkj n ASN 95 Cb 0.83 2.34 0.00 0.00 -0.53 0.00 0.00 39.78 42.42 1lkj n ASN 95 CO 0.00 0.00 0.00 0.61 1.40 0.00 0.00 177.26 179.27 1lkj n GLY 96 N -1.37 1.30 0.28 8.20 0.00 -1.26 -4.98 105.19 107.37 1lkj n GLY 96 Ca 0.00 0.00 0.05 0.00 0.00 0.00 0.00 46.02 46.07 1lkj n GLY 96 CO 0.00 0.00 0.00 -1.80 0.00 0.00 0.00 173.32 171.52 1lkj h ASP 97 N 1.32 0.27 -1.36 1.61 1.82 -2.02 -3.47 116.42 114.59 1lkj h ASP 97 Ca 0.00 -0.01 0.00 0.00 -0.39 0.00 0.00 57.03 56.63 1lkj h ASP 97 Cb 0.00 -0.07 0.00 0.00 0.68 0.00 0.00 39.33 39.94 1lkj h ASP 97 CO 0.00 0.22 0.00 0.61 -1.61 0.00 0.00 179.24 178.46 1lkj n GLY 98 N -1.43 0.79 2.83 -0.78 0.00 -1.26 -4.96 105.19 100.37 1lkj n GLY 98 Ca 0.00 -0.56 -0.20 0.00 0.00 0.00 0.00 46.02 45.27 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 -1.26 1.04 0.07 0.99 1.43 -1.26 -3.19 118.68 116.50 1lkj s LEU 99 Ca 0.00 -0.07 -0.00 0.00 -1.03 0.00 0.00 54.13 53.03 1lkj s LEU 99 Cb 0.00 -0.35 -0.04 0.00 0.03 0.00 0.00 46.19 45.83 1lkj s LEU 99 CO 0.00 -0.11 -0.04 0.27 0.23 0.00 0.00 176.35 176.70 1lkj s ILE 100 N 1.25 0.35 0.63 -0.59 -4.36 -1.02 -4.80 121.20 112.67 1lkj s ILE 100 Ca -0.06 -1.85 -0.11 0.00 -0.26 0.00 0.00 60.65 58.37 1lkj s ILE 100 Cb -0.13 -1.59 -0.03 0.00 1.25 0.00 0.00 42.46 41.95 1lkj s ILE 100 CO -0.02 -0.94 1.04 -0.44 0.24 0.00 0.00 174.94 174.81 1lkj s SER 101 N -2.96 6.14 0.43 4.36 0.01 -1.26 -1.31 113.70 119.12 1lkj s SER 101 Ca 0.09 1.41 0.18 0.00 1.31 0.00 0.00 55.95 58.94 1lkj s SER 101 Cb 0.07 -2.44 1.11 0.00 0.21 0.00 0.00 66.02 64.98 1lkj s SER 101 CO -0.08 -0.93 1.89 0.00 0.41 0.00 0.00 173.24 174.53 1lkj h ALA 102 N -0.36 2.23 0.66 1.44 0.00 -1.96 -1.15 119.26 120.12 1lkj h ALA 102 Ca -0.44 0.01 -0.03 0.00 0.00 0.00 0.00 54.91 54.44 1lkj h ALA 102 Cb 1.19 -0.03 0.01 0.00 0.00 0.00 0.00 17.79 18.96 1lkj h ALA 102 CO 0.62 -0.48 -0.32 0.00 0.00 0.00 0.00 179.25 179.07 1lkj h ALA 103 N 1.62 -0.88 -0.05 0.00 0.00 -1.97 -1.13 119.26 116.85 1lkj h ALA 103 Ca 0.42 -0.21 0.01 0.00 0.00 0.00 0.00 54.91 55.14 1lkj h ALA 103 Cb 1.09 0.34 -0.00 0.00 0.00 0.00 0.00 17.79 19.22 1lkj h ALA 103 CO -0.14 -0.93 0.04 0.93 0.00 0.00 0.00 179.25 179.15 1lkj h GLU 104 N -1.02 0.00 -0.16 0.00 4.39 -1.77 -2.06 114.58 113.96 1lkj h GLU 104 Ca -0.09 0.00 -0.05 0.00 0.34 0.00 0.00 59.36 59.56 1lkj h GLU 104 Cb 0.71 0.00 -0.00 0.00 -0.10 0.00 0.00 28.75 29.36 1lkj h GLU 104 CO 0.15 0.00 -0.10 1.25 -1.16 0.00 0.00 179.01 179.15 1lkj h LEU 105 N 0.00 0.36 -1.55 1.33 5.85 -0.86 -2.59 115.31 117.84 1lkj h LEU 105 Ca 0.02 -0.43 -0.05 0.00 0.84 0.00 0.00 57.88 58.26 1lkj h LEU 105 Cb 0.11 -0.10 -0.01 0.00 0.37 0.00 0.00 40.66 41.03 1lkj h LEU 105 CO -0.00 0.71 -0.24 0.11 -0.34 0.00 0.00 178.44 178.69 1lkj h LYS 106 N 0.00 0.00 -0.32 1.25 1.57 -0.56 -2.49 116.57 116.02 1lkj h LYS 106 Ca 0.03 0.00 -0.09 0.00 -1.87 0.00 0.00 60.65 58.72 1lkj h LYS 106 Cb 0.59 0.00 -0.01 0.00 0.08 0.00 0.00 32.23 32.89 1lkj h LYS 106 CO 0.03 0.24 -0.16 1.25 -0.57 0.00 0.00 179.45 180.23 1lkj h HIS 107 N 0.00 0.77 -0.51 -1.35 2.76 -1.23 -2.46 115.15 113.13 1lkj h HIS 107 Ca -0.00 -0.19 -0.07 0.00 -2.20 0.00 0.00 60.37 57.90 1lkj h HIS 107 Cb 0.45 -0.18 -0.02 0.00 1.55 0.00 0.00 27.41 29.21 1lkj h HIS 107 CO 0.00 0.89 0.03 0.28 -1.30 0.00 0.00 177.93 177.83 1lkj h VAL 108 N 0.43 1.26 -0.55 5.26 2.07 -1.18 -0.43 116.25 123.12 1lkj h VAL 108 Ca 0.07 -1.04 -0.00 0.00 0.82 0.00 0.00 66.70 66.54 1lkj h VAL 108 Cb 0.69 0.92 -0.03 0.00 -1.52 0.00 0.00 31.29 31.36 1lkj h VAL 108 CO 0.05 0.37 0.32 -0.07 0.02 0.00 0.00 177.57 178.26 1lkj h LEU 109 N 0.76 0.65 0.01 2.57 3.38 -1.41 0.42 115.31 121.69 1lkj h LEU 109 Ca 0.15 -0.03 -0.21 0.00 0.09 0.00 0.00 57.88 57.87 1lkj h LEU 109 Cb 0.48 -0.16 -0.03 0.00 0.09 0.00 0.00 40.66 41.04 1lkj h LEU 109 CO 0.02 0.51 -1.02 0.74 0.09 0.00 0.00 178.44 178.78 1lkj h THR 110 N 0.75 1.70 -0.06 0.22 2.02 -1.15 -3.18 112.91 113.21 1lkj h THR 110 Ca 0.20 -3.40 -0.18 0.00 0.77 0.00 0.00 66.41 63.80 1lkj h THR 110 Cb -0.02 2.85 0.01 0.00 -1.74 0.00 0.00 68.15 69.26 1lkj h THR 110 CO -0.04 0.97 -0.67 -1.28 0.37 0.00 0.00 175.52 174.88 1lkj h SER 111 N 0.01 0.70 0.02 4.18 0.87 -0.44 -3.12 113.55 115.77 1lkj h SER 111 Ca -0.02 -0.69 -0.00 0.00 -1.23 0.00 0.00 61.79 59.85 1lkj h SER 111 Cb 1.78 -0.21 -0.00 0.00 -0.44 0.00 0.00 62.40 63.53 1lkj h SER 111 CO 0.14 1.28 -0.01 0.40 -0.53 0.00 0.00 176.83 178.11 1lkj h ILE 112 N 0.17 0.53 0.00 2.23 2.04 -1.03 -3.45 117.51 117.99 1lkj h ILE 112 Ca -0.07 -0.03 0.00 0.00 1.00 0.00 0.00 64.86 65.76 1lkj h ILE 112 Cb 1.33 1.02 0.00 0.00 -0.74 0.00 0.00 36.82 38.43 1lkj h ILE 112 CO 0.13 0.01 0.00 0.61 0.00 0.00 0.00 178.15 178.90 1lkj n GLY 113 N -1.28 0.63 0.22 5.37 0.00 -1.18 -4.92 105.19 104.03 1lkj n GLY 113 Ca -0.03 -0.77 0.15 0.00 0.00 0.00 0.00 46.02 45.38 1lkj n GLY 113 CO 0.00 0.00 0.00 0.83 0.00 0.00 0.00 173.32 174.15 1lkj h GLU 114 N 0.00 0.00 -6.11 1.61 4.39 -1.83 -3.46 114.58 109.19 1lkj h GLU 114 Ca 0.00 0.00 -0.43 0.00 0.34 0.00 0.00 59.36 59.27 1lkj h GLU 114 Cb 0.58 0.00 0.04 0.00 -0.10 0.00 0.00 28.75 29.27 1lkj h GLU 114 CO 0.00 0.00 -0.78 1.17 -1.16 0.00 0.00 179.01 178.24 1lkj n LYS 115 N -2.61 -5.68 -3.30 2.33 4.81 -1.26 -4.94 118.16 107.51 1lkj n LYS 115 Ca -0.01 0.66 -0.40 0.00 -0.87 0.00 0.00 58.31 57.69 1lkj n LYS 115 Cb 0.13 -5.44 -0.08 0.00 0.02 0.00 0.00 35.03 29.66 1lkj n LYS 115 CO 0.00 0.00 0.00 -0.51 1.17 0.00 0.00 177.40 178.06 1lkj s LEU 116 N -6.97 4.14 1.10 3.14 1.43 -1.26 -5.06 118.68 115.20 1lkj s LEU 116 Ca 0.33 0.26 -0.12 0.00 -1.03 0.00 0.00 54.13 53.57 1lkj s LEU 116 Cb -0.16 -2.54 0.24 0.00 0.03 0.00 0.00 46.19 43.76 1lkj s LEU 116 CO 0.80 -0.30 1.03 0.35 0.23 0.00 0.00 176.35 178.47 1lkj n THR 117 N 5.22 0.00 0.25 5.49 -2.24 -1.26 -4.73 114.28 117.01 1lkj n THR 117 Ca -0.06 -0.30 0.08 0.00 -2.27 0.00 0.00 64.05 61.50 1lkj n THR 117 Cb 0.50 -0.99 0.62 0.00 -2.10 0.00 0.00 70.33 68.36 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 -2.43 0.00 -0.31 3.42 1.82 -1.99 -2.45 116.42 114.48 1lkj h ASP 118 Ca -0.56 0.00 -0.01 0.00 -0.39 0.00 0.00 57.03 56.07 1lkj h ASP 118 Cb 1.31 0.00 -0.01 0.00 0.68 0.00 0.00 39.33 41.31 1lkj h ASP 118 CO 0.46 0.05 0.15 0.00 -1.61 0.00 0.00 179.24 178.30 1lkj h ALA 119 N 1.95 0.40 0.16 -0.78 0.00 -1.99 0.77 119.26 119.77 1lkj h ALA 119 Ca -0.00 -0.09 -0.01 0.00 0.00 0.00 0.00 54.91 54.81 1lkj h ALA 119 Cb 0.10 -0.12 0.00 0.00 0.00 0.00 0.00 17.79 17.77 1lkj h ALA 119 CO 0.01 -0.04 -0.08 0.93 0.00 0.00 0.00 179.25 180.06 1lkj h GLU 120 N 0.37 -0.21 0.00 0.00 4.39 -1.77 -0.54 114.58 116.81 1lkj h GLU 120 Ca 0.11 0.01 -0.01 0.00 0.34 0.00 0.00 59.36 59.81 1lkj h GLU 120 Cb 0.11 0.05 -0.00 0.00 -0.10 0.00 0.00 28.75 28.81 1lkj h GLU 120 CO -0.01 -0.03 -0.06 0.28 -1.16 0.00 0.00 179.01 178.03 1lkj h VAL 121 N -0.35 0.77 -0.01 3.13 2.07 -1.43 -0.66 116.25 119.76 1lkj h VAL 121 Ca -0.02 -0.22 -0.03 0.00 0.82 0.00 0.00 66.70 67.25 1lkj h VAL 121 Cb 0.28 1.13 0.00 0.00 -1.52 0.00 0.00 31.29 31.18 1lkj h VAL 121 CO 0.04 0.06 -0.10 -0.78 0.02 0.00 0.00 177.57 176.81 1lkj h ASP 122 N 0.00 0.10 0.35 0.57 3.58 -0.34 -1.82 116.42 118.87 1lkj h ASP 122 Ca -0.00 -0.71 -0.06 0.00 0.42 0.00 0.00 57.03 56.67 1lkj h ASP 122 Cb 0.13 -0.03 -0.01 0.00 1.72 0.00 0.00 39.33 41.14 1lkj h ASP 122 CO 0.01 0.80 -0.30 0.44 -2.88 0.00 0.00 179.24 177.31 1lkj h ASP 123 N -0.58 0.00 0.18 2.28 3.32 -0.78 -2.49 116.42 118.35 1lkj h ASP 123 Ca -0.01 0.00 -0.24 0.00 0.02 0.00 0.00 57.03 56.80 1lkj h ASP 123 Cb 0.81 0.00 0.01 0.00 0.22 0.00 0.00 39.33 40.37 1lkj h ASP 123 CO 0.02 0.30 -0.96 0.24 -1.72 0.00 0.00 179.24 177.12 1lkj h MET 124 N 0.00 0.54 -0.14 3.56 2.86 -1.14 -3.19 114.93 117.41 1lkj h MET 124 Ca -0.00 -0.56 -0.09 0.00 -2.06 0.00 0.00 59.70 56.98 1lkj h MET 124 Cb 0.55 0.16 -0.01 0.00 0.06 0.00 0.00 31.60 32.35 1lkj h MET 124 CO 0.04 1.19 -0.31 -0.07 1.06 0.00 0.00 176.91 178.81 1lkj h LEU 125 N 0.31 0.27 -0.85 1.22 3.38 -1.04 -1.36 115.31 117.25 1lkj h LEU 125 Ca -0.09 -0.10 -0.05 0.00 0.09 0.00 0.00 57.88 57.73 1lkj h LEU 125 Cb 1.59 -0.07 -0.03 0.00 0.09 0.00 0.00 40.66 42.24 1lkj h LEU 125 CO 0.18 0.58 0.23 -0.09 0.09 0.00 0.00 178.44 179.43 1lkj h ARG 126 N 0.24 1.08 0.08 1.13 2.43 -1.45 0.88 114.38 118.78 1lkj h ARG 126 Ca 0.03 -0.22 -0.25 0.00 -0.81 0.00 0.00 59.98 58.73 1lkj h ARG 126 Cb 0.68 -0.16 -0.01 0.00 -0.42 0.00 0.00 29.97 30.05 1lkj h ARG 126 CO 0.05 0.92 -1.18 0.93 -1.51 0.00 0.00 179.97 179.18 1lkj h GLU 127 N 1.04 0.17 0.00 0.20 5.08 -1.51 -3.39 114.58 116.18 1lkj h GLU 127 Ca 0.23 -0.30 0.00 0.00 -1.00 0.00 0.00 59.36 58.30 1lkj h GLU 127 Cb 0.28 0.11 0.00 0.00 0.50 0.00 0.00 28.75 29.64 1lkj h GLU 127 CO -0.01 1.13 -0.34 0.28 -1.00 0.00 0.00 179.01 179.07 1lkj h VAL 128 N 0.05 0.00 -1.60 3.13 2.07 -1.05 -3.44 116.25 115.40 1lkj h VAL 128 Ca -0.10 -0.91 -0.58 0.00 0.82 0.00 0.00 66.70 65.94 1lkj h VAL 128 Cb 1.90 0.00 -0.01 0.00 -1.52 0.00 0.00 31.29 31.67 1lkj h VAL 128 CO 0.18 0.00 1.52 -0.24 0.02 0.00 0.00 177.57 179.04 1lkj n SER 129 N -4.43 2.67 -1.11 0.57 2.88 0.30 -4.60 113.62 109.90 1lkj n SER 129 Ca -0.05 0.11 -0.04 0.00 -1.33 0.00 0.00 58.87 57.56 1lkj n SER 129 Cb 0.18 -1.47 -0.02 0.00 -0.75 0.00 0.00 64.21 62.16 1lkj n SER 129 CO 0.00 0.00 0.00 -0.67 -1.23 0.00 0.00 175.04 173.14 1lkj n ASP 130 N 12.07 -0.68 0.00 -3.46 -0.08 -1.26 -4.70 116.55 118.44 1lkj n ASP 130 Ca 0.36 -1.35 0.00 0.00 -1.51 0.00 0.00 54.79 52.29 1lkj n ASP 130 Cb 0.40 0.24 0.00 0.00 2.34 0.00 0.00 41.12 44.09 1lkj n ASP 130 CO 0.00 0.00 0.00 0.61 0.12 0.00 0.00 177.20 177.93 1lkj n GLY 131 N -0.20 1.28 0.13 0.27 0.00 -1.26 -5.06 105.19 100.33 1lkj n GLY 131 Ca -0.16 -0.02 -0.04 0.00 0.00 0.00 0.00 46.02 45.80 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 3.17 0.00 1.61 7.64 -1.26 -5.03 113.62 119.75 1lkj n SER 132 Ca 0.00 -0.02 0.00 0.00 1.01 0.00 0.00 58.87 59.86 1lkj n SER 132 Cb 0.00 -0.10 0.00 0.00 -1.01 0.00 0.00 64.21 63.10 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 3.16 0.01 3.84 0.23 0.00 -1.26 -5.14 105.19 106.02 1lkj n GLY 133 Ca -0.10 -0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.59 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 -0.81 4.00 0.05 1.61 8.01 -1.26 -4.43 118.70 125.87 1lkj s GLU 134 Ca 0.00 0.98 0.09 0.00 0.01 0.00 0.00 54.97 56.05 1lkj s GLU 134 Cb 0.00 -2.14 -0.03 0.00 -4.31 0.00 0.00 34.13 27.65 1lkj s GLU 134 CO 0.00 -0.23 -0.25 0.42 0.01 0.00 0.00 175.26 175.21 1lkj s ILE 135 N -2.55 2.02 -0.04 -1.63 1.01 -0.43 -4.79 121.20 114.80 1lkj s ILE 135 Ca 0.59 -1.36 -0.24 0.00 0.00 0.00 0.00 60.65 59.64 1lkj s ILE 135 Cb -0.10 -1.74 -0.04 0.00 0.01 0.00 0.00 42.46 40.60 1lkj s ILE 135 CO 0.28 0.31 0.75 0.20 0.00 0.00 0.00 174.94 176.48 1lkj s ASN 136 N -1.26 7.08 0.52 3.58 -0.87 -1.26 -2.43 114.94 120.29 1lkj s ASN 136 Ca 0.11 1.29 0.31 0.00 -1.57 0.00 0.00 52.86 53.00 1lkj s ASN 136 Cb -0.10 -2.44 1.28 0.00 -0.02 0.00 0.00 41.25 39.97 1lkj s ASN 136 CO 0.02 -0.11 1.96 0.16 -2.57 0.00 0.00 177.10 176.56 1lkj h ILE 137 N 4.65 0.17 0.19 0.60 3.07 -1.92 -3.17 117.51 121.10 1lkj h ILE 137 Ca -0.42 -0.66 -0.01 0.00 1.55 0.00 0.00 64.86 65.33 1lkj h ILE 137 Cb 1.20 1.56 0.00 0.00 -0.27 0.00 0.00 36.82 39.31 1lkj h ILE 137 CO 0.74 0.06 -0.09 1.56 -1.05 0.00 0.00 178.15 179.38 1lkj h GLN 138 N 0.00 -0.24 -0.64 0.16 7.50 -1.92 0.45 115.11 120.43 1lkj h GLN 138 Ca -0.00 0.02 -0.06 0.00 0.50 0.00 0.00 58.65 59.11 1lkj h GLN 138 Cb 0.55 0.05 -0.03 0.00 0.05 0.00 0.00 27.48 28.11 1lkj h GLN 138 CO 0.01 -0.14 0.17 1.96 -1.50 0.00 0.00 178.83 179.33 1lkj h GLN 139 N -0.28 0.99 -0.33 1.46 4.20 -1.97 -2.06 115.11 117.11 1lkj h GLN 139 Ca -0.03 -0.21 -0.14 0.00 0.06 0.00 0.00 58.65 58.33 1lkj h GLN 139 Cb 0.22 -0.14 -0.00 0.00 0.30 0.00 0.00 27.48 27.85 1lkj h GLN 139 CO 0.04 0.87 -0.34 0.35 -0.67 0.00 0.00 178.83 179.08 1lkj h PHE 140 N 0.95 0.98 0.00 2.96 3.04 -1.48 -2.56 116.94 120.83 1lkj h PHE 140 Ca 0.20 -0.30 -0.04 0.00 3.98 0.00 0.00 57.97 61.82 1lkj h PHE 140 Cb 0.32 -0.21 -0.01 0.00 2.56 0.00 0.00 35.95 38.62 1lkj h PHE 140 CO 0.02 1.09 -0.18 0.00 -2.02 0.00 0.00 178.31 177.22 1lkj h ALA 141 N 0.73 1.57 -0.05 2.41 0.00 0.13 -2.45 119.26 121.61 1lkj h ALA 141 Ca 0.05 -0.16 -0.24 0.00 0.00 0.00 0.00 54.91 54.56 1lkj h ALA 141 Cb 0.92 -0.03 0.02 0.00 0.00 0.00 0.00 17.79 18.70 1lkj h ALA 141 CO 0.08 0.22 -0.92 0.00 0.00 0.00 0.00 179.25 178.64 1lkj h ALA 142 N 1.82 0.17 -0.17 0.00 0.00 -1.18 -2.11 119.26 117.79 1lkj h ALA 142 Ca -0.00 -0.65 -0.06 0.00 0.00 0.00 0.00 54.91 54.20 1lkj h ALA 142 Cb 0.34 0.04 -0.01 0.00 0.00 0.00 0.00 17.79 18.15 1lkj h ALA 142 CO 0.02 0.64 -0.15 -0.07 0.00 0.00 0.00 179.25 179.70 1lkj h LEU 143 N 0.38 0.27 0.00 0.00 3.38 -1.11 -2.58 115.31 115.66 1lkj h LEU 143 Ca -0.10 -0.06 -0.20 0.00 0.09 0.00 0.00 57.88 57.61 1lkj h LEU 143 Cb 1.57 -0.07 -0.03 0.00 0.09 0.00 0.00 40.66 42.22 1lkj h LEU 143 CO 0.18 0.45 -0.95 -0.07 0.09 0.00 0.00 178.44 178.14 1lkj h LEU 144 N 0.27 0.00 -7.81 1.67 3.38 -1.44 -3.38 115.31 107.99 1lkj h LEU 144 Ca 0.05 0.00 -0.70 0.00 0.09 0.00 0.00 57.88 57.32 1lkj h LEU 144 Cb 0.43 0.00 -0.12 0.00 0.09 0.00 0.00 40.66 41.06 1lkj h LEU 144 CO 0.03 0.94 1.82 -0.55 0.09 0.00 0.00 178.44 180.77 1lkj s SER 145 N -6.68 6.92 0.00 -0.43 0.15 -0.80 -5.07 113.70 107.79 1lkj s SER 145 Ca 0.01 -2.64 0.00 0.00 0.70 0.00 0.00 55.95 54.03 1lkj s SER 145 Cb 0.10 -2.50 0.00 0.00 -1.71 0.00 0.00 66.02 61.90 1lkj s SER 145 CO 0.81 -1.01 0.00 2.29 1.20 0.00 0.00 173.24 176.54