#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 6.16 -0.34 -3.46 1.04 -1.26 -4.98 113.70 110.86 1lkj s SER 2 Ca 0.00 -0.52 -0.22 0.00 0.48 0.00 0.00 55.95 55.69 1lkj s SER 2 Cb 0.00 -2.54 0.00 0.00 0.10 0.00 0.00 66.02 63.58 1lkj s SER 2 CO 0.00 -1.78 0.74 0.21 0.98 0.00 0.00 173.24 173.39 1lkj s ASN 3 N 3.73 6.55 0.19 7.02 2.47 -1.26 -5.01 114.94 128.63 1lkj s ASN 3 Ca 0.33 0.41 -0.32 0.00 0.42 0.00 0.00 52.86 53.71 1lkj s ASN 3 Cb -0.09 -2.38 -0.11 0.00 -1.45 0.00 0.00 41.25 37.22 1lkj s ASN 3 CO 0.14 -0.65 1.70 -0.76 -3.72 0.00 0.00 177.10 173.82 1lkj s LEU 4 N 2.94 4.37 0.81 3.21 1.43 -1.26 -4.96 118.68 125.22 1lkj s LEU 4 Ca 0.30 2.79 -0.11 0.00 -1.03 0.00 0.00 54.13 56.08 1lkj s LEU 4 Cb -0.14 -3.59 0.08 0.00 0.03 0.00 0.00 46.19 42.57 1lkj s LEU 4 CO 0.15 -0.94 1.09 0.42 0.23 0.00 0.00 176.35 177.30 1lkj s THR 5 N 1.40 3.12 0.16 5.49 -4.23 -1.26 -4.69 115.64 115.63 1lkj s THR 5 Ca 0.75 0.36 -0.17 0.00 -1.18 0.00 0.00 61.69 61.45 1lkj s THR 5 Cb -0.48 -2.84 0.08 0.00 1.34 0.00 0.00 72.50 70.60 1lkj s THR 5 CO 0.32 -0.48 1.67 -0.33 -0.54 0.00 0.00 174.62 175.27 1lkj h GLU 6 N -1.26 -0.01 -0.78 3.99 5.08 -1.98 0.10 114.58 119.72 1lkj h GLU 6 Ca -0.45 0.00 0.11 0.00 -1.00 0.00 0.00 59.36 58.02 1lkj h GLU 6 Cb 1.25 0.00 -0.08 0.00 0.50 0.00 0.00 28.75 30.42 1lkj h GLU 6 CO 0.52 -0.00 0.41 1.05 -1.00 0.00 0.00 179.01 179.99 1lkj h GLU 7 N -0.01 0.64 -0.23 2.33 4.11 -1.99 0.45 114.58 119.89 1lkj h GLU 7 Ca 0.18 -0.04 -0.07 0.00 0.07 0.00 0.00 59.36 59.51 1lkj h GLU 7 Cb 0.29 -0.15 -0.01 0.00 0.50 0.00 0.00 28.75 29.38 1lkj h GLU 7 CO -0.40 0.43 -0.11 1.96 0.07 0.00 0.00 179.01 180.96 1lkj h GLN 8 N 0.66 0.48 -0.19 1.06 1.08 -1.53 -2.59 115.11 114.08 1lkj h GLN 8 Ca 0.39 -0.21 -0.07 0.00 -1.45 0.00 0.00 58.65 57.32 1lkj h GLN 8 Cb 0.44 -0.01 -0.01 0.00 -0.05 0.00 0.00 27.48 27.84 1lkj h GLN 8 CO -0.29 0.76 -0.17 0.82 -0.95 0.00 0.00 178.83 178.99 1lkj h ILE 9 N 0.19 1.22 -0.63 2.54 2.04 -0.13 -2.66 117.51 120.08 1lkj h ILE 9 Ca 0.05 -0.98 -0.07 0.00 1.00 0.00 0.00 64.86 64.86 1lkj h ILE 9 Cb 0.61 1.27 -0.02 0.00 -0.74 0.00 0.00 36.82 37.94 1lkj h ILE 9 CO 0.03 0.31 0.11 0.00 0.00 0.00 0.00 178.15 178.60 1lkj h ALA 10 N 1.53 0.83 -0.00 1.87 0.00 0.02 -1.16 119.26 122.36 1lkj h ALA 10 Ca 0.05 -0.26 -0.00 0.00 0.00 0.00 0.00 54.91 54.71 1lkj h ALA 10 Cb 0.48 -0.24 -0.00 0.00 0.00 0.00 0.00 17.79 18.03 1lkj h ALA 10 CO 0.03 0.58 0.00 1.49 0.00 0.00 0.00 179.25 181.35 1lkj h GLU 11 N 0.95 0.00 -0.86 0.00 4.81 -1.13 -1.84 114.58 116.50 1lkj h GLU 11 Ca 0.19 -0.00 -0.00 0.00 -0.13 0.00 0.00 59.36 59.42 1lkj h GLU 11 Cb 0.42 -0.00 -0.04 0.00 0.63 0.00 0.00 28.75 29.75 1lkj h GLU 11 CO 0.01 0.19 0.53 0.74 -0.73 0.00 0.00 179.01 179.75 1lkj h PHE 12 N -0.19 1.13 -0.75 0.92 0.04 -1.41 -2.24 116.94 114.45 1lkj h PHE 12 Ca 0.00 0.00 -0.02 0.00 2.80 0.00 0.00 57.97 60.75 1lkj h PHE 12 Cb 0.19 -0.37 -0.04 0.00 2.20 0.00 0.00 35.95 37.93 1lkj h PHE 12 CO -0.01 0.75 0.39 -0.22 -0.60 0.00 0.00 178.31 178.61 1lkj h LYS 13 N 1.19 1.05 0.13 1.51 3.64 -1.05 0.19 116.57 123.23 1lkj h LYS 13 Ca 0.31 -0.13 -0.01 0.00 -1.27 0.00 0.00 60.65 59.56 1lkj h LYS 13 Cb -0.06 -0.20 0.00 0.00 -0.41 0.00 0.00 32.23 31.56 1lkj h LYS 13 CO -0.06 0.79 -0.06 0.93 -2.27 0.00 0.00 179.45 178.78 1lkj h GLU 14 N 1.05 -0.17 -0.17 1.90 4.39 -0.73 0.30 114.58 121.14 1lkj h GLU 14 Ca 0.26 0.01 -0.12 0.00 0.34 0.00 0.00 59.36 59.85 1lkj h GLU 14 Cb 0.06 0.04 -0.01 0.00 -0.10 0.00 0.00 28.75 28.74 1lkj h GLU 14 CO -0.04 -0.07 -0.43 0.00 -1.16 0.00 0.00 179.01 177.31 1lkj h ALA 15 N 0.63 0.95 0.01 3.43 0.00 -1.28 -2.32 119.26 120.67 1lkj h ALA 15 Ca -0.02 -0.44 -0.00 0.00 0.00 0.00 0.00 54.91 54.45 1lkj h ALA 15 Cb 0.18 -0.10 0.00 0.00 0.00 0.00 0.00 17.79 17.88 1lkj h ALA 15 CO 0.03 0.63 -0.00 0.35 0.00 0.00 0.00 179.25 180.26 1lkj h PHE 16 N 0.33 -0.01 0.00 0.00 3.04 -0.38 -3.03 116.94 116.90 1lkj h PHE 16 Ca 0.03 -0.00 -0.02 0.00 3.98 0.00 0.00 57.97 61.96 1lkj h PHE 16 Cb 0.89 0.00 -0.00 0.00 2.56 0.00 0.00 35.95 39.41 1lkj h PHE 16 CO 0.03 0.42 -0.08 0.00 -2.02 0.00 0.00 178.31 176.65 1lkj h ALA 17 N 0.55 1.86 -0.17 2.41 0.00 -0.41 -1.69 119.26 121.80 1lkj h ALA 17 Ca -0.00 -0.08 -0.03 0.00 0.00 0.00 0.00 54.91 54.80 1lkj h ALA 17 Cb 0.43 -0.01 -0.01 0.00 0.00 0.00 0.00 17.79 18.20 1lkj h ALA 17 CO 0.00 0.11 -0.04 -0.07 0.00 0.00 0.00 179.25 179.25 1lkj h LEU 18 N 0.00 0.23 -3.70 0.00 3.38 -1.29 -1.99 115.31 111.93 1lkj h LEU 18 Ca -0.00 -0.03 -0.24 0.00 0.09 0.00 0.00 57.88 57.70 1lkj h LEU 18 Cb 0.15 -0.06 -0.14 0.00 0.09 0.00 0.00 40.66 40.70 1lkj h LEU 18 CO 0.01 0.31 0.27 0.49 0.09 0.00 0.00 178.44 179.61 1lkj n PHE 19 N -4.36 2.27 -4.85 1.13 3.01 -0.65 -4.91 117.46 109.10 1lkj n PHE 19 Ca -0.00 -1.33 -0.27 0.00 1.01 0.00 0.00 57.45 56.86 1lkj n PHE 19 Cb 0.20 -0.68 -0.17 0.00 -0.01 0.00 0.00 39.48 38.83 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 -1.34 2.29 0.00 4.37 2.15 -0.75 -4.74 116.67 118.65 1lkj s ASP 20 Ca 0.53 -0.40 0.00 0.00 0.43 0.00 0.00 52.55 53.12 1lkj s ASP 20 Cb 0.44 -0.96 0.00 0.00 -0.30 0.00 0.00 42.92 42.09 1lkj s ASP 20 CO 0.11 0.10 0.00 0.29 -0.17 0.00 0.00 175.17 175.50 1lkj n LYS 21 N 3.57 0.00 -1.29 4.34 4.76 -1.26 -4.94 118.16 123.34 1lkj n LYS 21 Ca -0.21 0.00 -0.01 0.00 -2.87 0.00 0.00 58.31 55.22 1lkj n LYS 21 Cb 0.52 -0.41 0.01 0.00 -1.84 0.00 0.00 35.03 33.32 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 0.00 -0.37 -0.06 4.39 2.03 -1.26 -5.04 116.55 116.24 1lkj n ASP 22 Ca 0.00 -1.00 -0.05 0.00 0.52 0.00 0.00 54.79 54.26 1lkj n ASP 22 Cb 0.00 0.15 -0.02 0.00 -0.72 0.00 0.00 41.12 40.53 1lkj n ASP 22 CO 0.00 0.00 0.00 -3.20 -1.92 0.00 0.00 177.20 172.08 1lkj n ASN 23 N -0.25 1.30 0.13 1.67 5.15 -1.26 -5.02 115.26 116.99 1lkj n ASN 23 Ca -0.07 0.38 0.00 0.00 -0.60 0.00 0.00 54.58 54.29 1lkj n ASN 23 Cb 0.51 -0.71 0.00 0.00 -0.53 0.00 0.00 39.78 39.04 1lkj n ASN 23 CO 0.00 0.00 0.00 0.59 1.40 0.00 0.00 177.26 179.25 1lkj n ASN 24 N -3.88 -0.15 0.00 1.20 4.13 -1.26 -5.08 115.26 110.22 1lkj n ASN 24 Ca -0.07 0.44 0.00 0.00 1.68 0.00 0.00 54.58 56.63 1lkj n ASN 24 Cb 0.27 0.36 0.00 0.00 -1.54 0.00 0.00 39.78 38.88 1lkj n ASN 24 CO 0.00 0.00 0.00 0.61 0.28 0.00 0.00 177.26 178.15 1lkj n GLY 25 N 1.53 -0.85 3.07 7.41 0.00 -1.26 -5.10 105.19 110.00 1lkj n GLY 25 Ca 0.00 0.23 -0.17 0.00 0.00 0.00 0.00 46.02 46.08 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 1.15 0.18 1.61 1.04 -1.26 -3.24 113.70 113.18 1lkj s SER 26 Ca 0.00 -0.41 0.08 0.00 0.48 0.00 0.00 55.95 56.10 1lkj s SER 26 Cb 0.00 -0.05 -0.04 0.00 0.10 0.00 0.00 66.02 66.03 1lkj s SER 26 CO 0.00 -0.04 -0.16 0.27 0.98 0.00 0.00 173.24 174.29 1lkj s ILE 27 N -0.88 1.71 0.54 -1.02 -4.36 -0.32 -4.78 121.20 112.09 1lkj s ILE 27 Ca -0.02 -2.04 -0.08 0.00 -0.26 0.00 0.00 60.65 58.25 1lkj s ILE 27 Cb -0.07 -1.90 -0.04 0.00 1.25 0.00 0.00 42.46 41.70 1lkj s ILE 27 CO 0.01 -0.47 0.89 -0.44 0.24 0.00 0.00 174.94 175.17 1lkj s SER 28 N -2.96 6.22 0.26 4.36 0.01 -1.26 0.10 113.70 120.43 1lkj s SER 28 Ca 0.18 1.13 -0.05 0.00 1.31 0.00 0.00 55.95 58.52 1lkj s SER 28 Cb -0.03 -2.32 0.30 0.00 0.21 0.00 0.00 66.02 64.18 1lkj s SER 28 CO 0.06 -0.72 1.92 0.77 0.41 0.00 0.00 173.24 175.68 1lkj h SER 29 N -0.02 1.12 -0.24 2.44 4.64 -1.77 -0.92 113.55 118.80 1lkj h SER 29 Ca -0.46 -0.02 0.07 0.00 -0.47 0.00 0.00 61.79 60.91 1lkj h SER 29 Cb 1.20 -0.27 -0.01 0.00 -0.31 0.00 0.00 62.40 63.01 1lkj h SER 29 CO 0.62 0.79 0.31 -1.28 -0.87 0.00 0.00 176.83 176.40 1lkj h SER 30 N 1.31 0.00 0.43 4.97 0.87 -1.93 0.70 113.55 119.91 1lkj h SER 30 Ca 0.38 0.00 -0.05 0.00 -1.23 0.00 0.00 61.79 60.89 1lkj h SER 30 Cb -0.07 0.00 -0.01 0.00 -0.44 0.00 0.00 62.40 61.88 1lkj h SER 30 CO -0.10 0.00 -1.61 -0.62 -0.53 0.00 0.00 176.83 173.96 1lkj n GLU 31 N -3.62 0.64 0.06 2.24 1.02 -0.40 -4.29 120.64 116.29 1lkj n GLU 31 Ca 0.03 -0.02 -0.11 0.00 -0.02 0.00 0.00 57.16 57.04 1lkj n GLU 31 Cb 0.44 -1.66 -0.05 0.00 -0.02 0.00 0.00 31.44 30.15 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 -0.68 -1.10 -4.62 5.85 -0.27 0.33 115.31 114.82 1lkj h LEU 32 Ca -0.07 0.09 0.05 0.00 0.84 0.00 0.00 57.88 58.80 1lkj h LEU 32 Cb 1.18 0.28 -0.06 0.00 0.37 0.00 0.00 40.66 42.43 1lkj h LEU 32 CO 0.01 -0.30 0.61 0.00 -0.34 0.00 0.00 178.44 178.42 1lkj h ALA 33 N 0.48 1.45 -0.39 1.25 0.00 -1.76 -1.77 119.26 118.53 1lkj h ALA 33 Ca 0.06 -0.03 -0.15 0.00 0.00 0.00 0.00 54.91 54.79 1lkj h ALA 33 Cb 0.44 -0.30 -0.01 0.00 0.00 0.00 0.00 17.79 17.92 1lkj h ALA 33 CO -0.20 0.43 -0.35 1.15 0.00 0.00 0.00 179.25 180.29 1lkj h THR 34 N 1.12 1.27 -0.38 0.00 2.02 -1.52 -2.46 112.91 112.95 1lkj h THR 34 Ca 0.39 -1.52 -0.02 0.00 0.77 0.00 0.00 66.41 66.03 1lkj h THR 34 Cb 0.11 1.34 -0.02 0.00 -1.74 0.00 0.00 68.15 67.84 1lkj h THR 34 CO -0.14 0.51 0.13 0.58 0.37 0.00 0.00 175.52 176.97 1lkj h VAL 35 N 0.74 1.15 -0.11 3.16 2.07 0.42 -2.02 116.25 121.67 1lkj h VAL 35 Ca 0.07 -0.50 -0.17 0.00 0.82 0.00 0.00 66.70 66.92 1lkj h VAL 35 Cb 0.92 0.72 -0.01 0.00 -1.52 0.00 0.00 31.29 31.41 1lkj h VAL 35 CO 0.09 0.19 -0.66 0.24 0.02 0.00 0.00 177.57 177.44 1lkj h MET 36 N 0.53 0.45 -0.05 1.57 2.86 -1.15 -2.44 114.93 116.71 1lkj h MET 36 Ca 0.13 -0.33 -0.07 0.00 -2.06 0.00 0.00 59.70 57.37 1lkj h MET 36 Cb 0.14 0.06 -0.01 0.00 0.06 0.00 0.00 31.60 31.85 1lkj h MET 36 CO -0.01 0.96 -0.28 0.00 1.06 0.00 0.00 176.91 178.63 1lkj h ARG 37 N 0.32 0.09 0.12 1.72 3.08 -0.91 -1.12 114.38 117.68 1lkj h ARG 37 Ca -0.02 -0.03 -0.27 0.00 0.07 0.00 0.00 59.98 59.73 1lkj h ARG 37 Cb 1.22 -0.01 0.01 0.00 0.08 0.00 0.00 29.97 31.27 1lkj h ARG 37 CO 0.12 0.37 -1.21 0.77 -1.07 0.00 0.00 179.97 178.94 1lkj h SER 38 N 0.08 0.52 0.34 7.04 0.02 -1.29 -3.20 113.55 117.06 1lkj h SER 38 Ca 0.01 -0.52 -0.01 0.00 -0.84 0.00 0.00 61.79 60.43 1lkj h SER 38 Cb 0.55 -0.17 -0.00 0.00 0.14 0.00 0.00 62.40 62.92 1lkj h SER 38 CO 0.04 1.39 -0.04 -0.07 -1.14 0.00 0.00 176.83 177.00 1lkj h LEU 39 N 0.12 0.00 0.00 5.07 3.38 -1.20 -3.45 115.31 119.24 1lkj h LEU 39 Ca -0.14 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.83 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 0.21 0.04 0.00 0.61 0.09 0.00 0.00 178.44 179.39 1lkj n GLY 40 N -0.74 1.52 3.58 0.83 0.00 -1.12 -5.11 105.19 104.16 1lkj n GLY 40 Ca -0.02 0.00 -0.27 0.00 0.00 0.00 0.00 46.02 45.73 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 2.15 -0.41 0.99 1.43 -0.44 -5.02 118.68 117.38 1lkj s LEU 41 Ca 0.00 -1.61 0.03 0.00 -1.03 0.00 0.00 54.13 51.52 1lkj s LEU 41 Cb 0.00 -0.37 0.29 0.00 0.03 0.00 0.00 46.19 46.14 1lkj s LEU 41 CO 0.00 -0.84 1.14 -1.20 0.23 0.00 0.00 176.35 175.68 1lkj n SER 42 N -1.20 -2.00 -4.75 2.29 7.64 -1.26 -4.13 113.62 110.21 1lkj n SER 42 Ca -0.09 -2.70 -0.41 0.00 1.01 0.00 0.00 58.87 56.68 1lkj n SER 42 Cb 0.66 1.42 -0.04 0.00 -1.01 0.00 0.00 64.21 65.24 1lkj n SER 42 CO 0.00 0.00 0.00 -2.16 -3.01 0.00 0.00 175.04 169.87 1lkj s PRO 43 N 0.31 4.57 1.33 1.43 0.04 -1.26 -5.02 135.00 136.39 1lkj s PRO 43 Ca 0.26 1.83 -0.20 0.00 0.04 0.00 0.00 61.00 62.93 1lkj s PRO 43 Cb 0.25 -3.22 0.33 0.00 0.04 0.00 0.00 34.50 31.90 1lkj s PRO 43 CO -0.15 0.06 0.98 -1.12 0.04 0.00 0.00 177.00 176.81 1lkj s SER 44 N -0.34 -0.27 0.40 6.66 0.01 -1.26 -4.63 113.70 114.27 1lkj s SER 44 Ca 0.49 0.99 0.07 0.00 1.31 0.00 0.00 55.95 58.81 1lkj s SER 44 Cb -0.32 -1.46 0.82 0.00 0.21 0.00 0.00 66.02 65.27 1lkj s SER 44 CO 0.39 -4.90 2.00 -0.08 0.41 0.00 0.00 173.24 171.07 1lkj h GLU 45 N -3.10 0.45 -0.39 12.44 4.57 -1.99 -2.11 114.58 124.46 1lkj h GLU 45 Ca -0.49 -0.05 -0.01 0.00 -1.18 0.00 0.00 59.36 57.63 1lkj h GLU 45 Cb 1.33 -0.09 -0.02 0.00 -0.16 0.00 0.00 28.75 29.82 1lkj h GLU 45 CO 0.36 0.38 0.21 0.00 -1.18 0.00 0.00 179.01 178.78 1lkj h ALA 46 N 1.69 0.50 -0.55 2.92 0.00 -1.99 0.40 119.26 122.23 1lkj h ALA 46 Ca 0.11 -0.08 -0.07 0.00 0.00 0.00 0.00 54.91 54.87 1lkj h ALA 46 Cb 0.09 -0.16 -0.02 0.00 0.00 0.00 0.00 17.79 17.70 1lkj h ALA 46 CO -0.01 0.03 0.05 0.93 0.00 0.00 0.00 179.25 180.25 1lkj h GLU 47 N 0.50 0.93 -0.66 0.00 4.39 -1.76 -2.54 114.58 115.45 1lkj h GLU 47 Ca 0.14 -0.27 -0.06 0.00 0.34 0.00 0.00 59.36 59.51 1lkj h GLU 47 Cb 0.06 -0.10 -0.03 0.00 -0.10 0.00 0.00 28.75 28.58 1lkj h GLU 47 CO -0.02 0.92 0.18 0.28 -1.16 0.00 0.00 179.01 179.20 1lkj h VAL 48 N 0.82 1.25 -0.78 3.13 2.07 -1.11 -2.52 116.25 119.11 1lkj h VAL 48 Ca 0.16 -0.89 -0.02 0.00 0.82 0.00 0.00 66.70 66.76 1lkj h VAL 48 Cb 0.46 0.56 -0.04 0.00 -1.52 0.00 0.00 31.29 30.75 1lkj h VAL 48 CO 0.02 0.34 0.39 -1.13 0.02 0.00 0.00 177.57 177.21 1lkj h ASN 49 N 0.98 0.99 0.15 0.57 -0.73 -0.67 -0.01 115.58 116.86 1lkj h ASN 49 Ca 0.21 -0.10 -0.01 0.00 1.87 0.00 0.00 56.30 58.27 1lkj h ASN 49 Cb 0.32 -0.25 0.00 0.00 0.27 0.00 0.00 38.32 38.66 1lkj h ASN 49 CO -0.00 0.83 -0.07 -0.78 -0.37 0.00 0.00 177.43 177.03 1lkj h ASP 50 N 1.10 -0.17 -0.55 1.15 3.58 -1.04 0.64 116.42 121.13 1lkj h ASP 50 Ca 0.27 -0.08 -0.02 0.00 0.42 0.00 0.00 57.03 57.62 1lkj h ASP 50 Cb 0.08 0.04 -0.03 0.00 1.72 0.00 0.00 39.33 41.15 1lkj h ASP 50 CO -0.04 -0.03 0.26 -0.07 -2.88 0.00 0.00 179.24 176.48 1lkj h LEU 51 N -0.30 0.72 -0.73 2.28 3.38 -1.27 -2.07 115.31 117.32 1lkj h LEU 51 Ca -0.02 -0.13 -0.11 0.00 0.09 0.00 0.00 57.88 57.71 1lkj h LEU 51 Cb 0.24 -0.19 -0.01 0.00 0.09 0.00 0.00 40.66 40.79 1lkj h LEU 51 CO 0.03 0.65 -0.21 0.24 0.09 0.00 0.00 178.44 179.24 1lkj h MET 52 N 0.74 0.74 0.00 1.13 2.86 -0.84 -1.96 114.93 117.61 1lkj h MET 52 Ca 0.19 -0.29 -0.03 0.00 -2.06 0.00 0.00 59.70 57.50 1lkj h MET 52 Cb 0.12 -0.04 -0.00 0.00 0.06 0.00 0.00 31.60 31.74 1lkj h MET 52 CO -0.02 0.89 -0.16 -0.97 1.06 0.00 0.00 176.91 177.71 1lkj h ASN 53 N 0.65 0.00 1.11 1.22 -1.24 0.66 0.16 115.58 118.15 1lkj h ASN 53 Ca 0.09 0.00 -0.09 0.00 0.71 0.00 0.00 56.30 57.01 1lkj h ASN 53 Cb 0.71 0.00 -0.01 0.00 0.73 0.00 0.00 38.32 39.75 1lkj h ASN 53 CO 0.05 0.16 -0.94 -0.08 -1.29 0.00 0.00 177.43 175.34 1lkj h GLU 54 N 0.00 0.00 0.00 6.67 4.81 -0.98 -3.38 114.58 121.70 1lkj h GLU 54 Ca -0.00 0.00 -0.21 0.00 -0.13 0.00 0.00 59.36 59.02 1lkj h GLU 54 Cb 0.34 0.00 -0.03 0.00 0.63 0.00 0.00 28.75 29.69 1lkj h GLU 54 CO 0.02 0.23 -1.16 0.82 -0.73 0.00 0.00 179.01 178.19 1lkj h ILE 55 N 0.00 0.96 -2.31 2.32 2.04 -0.71 -3.46 117.51 116.35 1lkj h ILE 55 Ca -0.06 -2.17 -0.57 0.00 1.00 0.00 0.00 64.86 63.06 1lkj h ILE 55 Cb 1.32 2.25 0.05 0.00 -0.74 0.00 0.00 36.82 39.70 1lkj h ILE 55 CO 0.03 0.32 0.93 -0.90 0.00 0.00 0.00 178.15 178.54 1lkj n ASP 56 N -4.45 3.43 0.00 1.72 5.75 0.51 -4.79 116.55 118.71 1lkj n ASP 56 Ca -0.30 1.04 0.00 0.00 -0.01 0.00 0.00 54.79 55.52 1lkj n ASP 56 Cb 0.66 -1.45 0.00 0.00 -1.03 0.00 0.00 41.12 39.30 1lkj n ASP 56 CO 0.00 0.00 0.00 0.52 -0.11 0.00 0.00 177.20 177.61 1lkj n VAL 57 N 4.02 0.00 -0.03 2.12 0.31 -1.26 -4.91 118.33 118.58 1lkj n VAL 57 Ca 0.18 0.00 -0.04 0.00 -0.01 0.00 0.00 64.34 64.47 1lkj n VAL 57 Cb 0.31 -0.39 -0.05 0.00 -0.91 0.00 0.00 33.84 32.80 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 -2.16 3.39 0.00 4.52 2.03 -1.26 -5.03 116.55 118.04 1lkj n ASP 58 Ca 0.00 -0.01 0.00 0.00 0.52 0.00 0.00 54.79 55.30 1lkj n ASP 58 Cb 0.28 0.45 0.00 0.00 -0.72 0.00 0.00 41.12 41.12 1lkj n ASP 58 CO 0.00 0.00 0.00 0.61 -1.92 0.00 0.00 177.20 175.89 1lkj n GLY 59 N 2.74 -0.29 1.05 0.27 0.00 -1.26 -5.01 105.19 102.68 1lkj n GLY 59 Ca -0.12 -0.00 0.00 0.00 0.00 0.00 0.00 46.02 45.90 1lkj n GLY 59 CO 0.00 0.00 0.00 -2.01 0.00 0.00 0.00 173.32 171.31 1lkj n ASN 60 N 0.00 0.28 -2.44 1.61 2.85 -1.26 -4.98 115.26 111.31 1lkj n ASN 60 Ca 0.00 0.00 -0.02 0.00 -0.11 0.00 0.00 54.58 54.45 1lkj n ASN 60 Cb 0.00 0.00 -0.01 0.00 1.24 0.00 0.00 39.78 41.01 1lkj n ASN 60 CO 0.00 0.00 0.00 1.57 -2.11 0.00 0.00 177.26 176.72 1lkj n HIS 61 N -2.88 -3.83 -2.70 1.20 -0.00 -1.26 -4.42 115.22 101.33 1lkj n HIS 61 Ca 0.00 2.26 -0.42 0.00 -0.00 0.00 0.00 57.72 59.56 1lkj n HIS 61 Cb 0.43 -3.33 -0.03 0.00 -0.00 0.00 0.00 29.99 27.06 1lkj n HIS 61 CO 0.00 0.00 0.00 -0.65 -0.00 0.00 0.00 176.34 175.69 1lkj s GLN 62 N -0.51 4.54 0.24 1.57 -0.21 -1.26 -4.32 119.66 119.70 1lkj s GLN 62 Ca -0.09 1.43 -0.30 0.00 0.02 0.00 0.00 55.36 56.42 1lkj s GLN 62 Cb 0.01 -3.47 -0.09 0.00 1.00 0.00 0.00 33.01 30.46 1lkj s GLN 62 CO 0.24 -0.09 0.95 0.42 -2.12 0.00 0.00 175.29 174.68 1lkj s ILE 63 N 1.13 4.07 0.25 1.08 1.01 0.12 -4.80 121.20 124.06 1lkj s ILE 63 Ca 0.52 2.07 0.06 0.00 0.00 0.00 0.00 60.65 63.30 1lkj s ILE 63 Cb -0.21 -4.32 -0.03 0.00 0.01 0.00 0.00 42.46 37.91 1lkj s ILE 63 CO 0.27 0.49 0.26 -1.61 0.00 0.00 0.00 174.94 174.35 1lkj s GLU 64 N -1.13 3.13 0.57 2.79 2.02 -1.26 -1.18 118.70 123.64 1lkj s GLU 64 Ca 0.41 -0.94 0.26 0.00 0.02 0.00 0.00 54.97 54.73 1lkj s GLU 64 Cb -0.26 -2.70 1.60 0.00 0.10 0.00 0.00 34.13 32.87 1lkj s GLU 64 CO 0.32 0.41 2.13 0.35 0.02 0.00 0.00 175.26 178.49 1lkj h PHE 65 N 1.36 0.00 0.23 1.61 3.57 -1.96 0.11 116.94 121.86 1lkj h PHE 65 Ca -0.50 0.00 -0.01 0.00 3.53 0.00 0.00 57.97 60.99 1lkj h PHE 65 Cb 1.24 0.00 0.00 0.00 2.79 0.00 0.00 35.95 39.98 1lkj h PHE 65 CO 0.51 0.00 -0.11 1.03 -2.23 0.00 0.00 178.31 177.51 1lkj h SER 66 N 0.00 -0.27 0.10 0.41 0.87 -1.94 -1.93 113.55 110.80 1lkj h SER 66 Ca 0.07 -0.26 -0.06 0.00 -1.23 0.00 0.00 61.79 60.31 1lkj h SER 66 Cb 0.35 0.07 -0.01 0.00 -0.44 0.00 0.00 62.40 62.37 1lkj h SER 66 CO -0.00 0.23 -0.19 -0.33 -0.53 0.00 0.00 176.83 176.00 1lkj h GLU 67 N -0.88 0.18 -0.09 2.24 5.08 -1.86 -2.62 114.58 116.63 1lkj h GLU 67 Ca -0.03 -0.05 -0.02 0.00 -1.00 0.00 0.00 59.36 58.26 1lkj h GLU 67 Cb 0.51 -0.02 -0.00 0.00 0.50 0.00 0.00 28.75 29.73 1lkj h GLU 67 CO 0.05 0.38 -0.02 0.35 -1.00 0.00 0.00 179.01 178.77 1lkj h PHE 68 N 0.17 0.19 -0.76 4.33 3.57 -1.00 -1.83 116.94 121.59 1lkj h PHE 68 Ca 0.03 -0.04 0.02 0.00 3.53 0.00 0.00 57.97 61.51 1lkj h PHE 68 Cb 0.44 -0.05 -0.04 0.00 2.79 0.00 0.00 35.95 39.09 1lkj h PHE 68 CO 0.01 0.48 0.51 -0.07 -2.23 0.00 0.00 178.31 177.00 1lkj h LEU 69 N -0.16 0.84 -0.16 0.59 3.38 -1.18 -0.64 115.31 117.98 1lkj h LEU 69 Ca 0.02 -0.02 -0.03 0.00 0.09 0.00 0.00 57.88 57.95 1lkj h LEU 69 Cb 0.42 -0.20 -0.01 0.00 0.09 0.00 0.00 40.66 40.97 1lkj h LEU 69 CO 0.01 0.59 -0.02 0.00 0.09 0.00 0.00 178.44 179.11 1lkj h ALA 70 N 1.54 0.22 -0.69 1.53 0.00 -1.35 -1.51 119.26 118.99 1lkj h ALA 70 Ca 0.29 -0.22 -0.04 0.00 0.00 0.00 0.00 54.91 54.94 1lkj h ALA 70 Cb -0.03 -0.06 -0.03 0.00 0.00 0.00 0.00 17.79 17.67 1lkj h ALA 70 CO -0.08 -0.05 0.27 -0.07 0.00 0.00 0.00 179.25 179.33 1lkj h LEU 71 N 0.01 0.94 -0.47 0.00 3.38 -0.91 -2.15 115.31 116.11 1lkj h LEU 71 Ca 0.04 -0.14 -0.09 0.00 0.09 0.00 0.00 57.88 57.79 1lkj h LEU 71 Cb 0.43 -0.24 -0.02 0.00 0.09 0.00 0.00 40.66 40.93 1lkj h LEU 71 CO 0.01 0.84 -0.04 0.24 0.09 0.00 0.00 178.44 179.58 1lkj h MET 72 N 1.00 0.86 0.00 1.13 2.86 -1.02 -2.27 114.93 117.49 1lkj h MET 72 Ca 0.23 -0.29 -0.05 0.00 -2.06 0.00 0.00 59.70 57.53 1lkj h MET 72 Cb 0.20 -0.07 -0.01 0.00 0.06 0.00 0.00 31.60 31.79 1lkj h MET 72 CO -0.02 0.92 -0.22 1.03 1.06 0.00 0.00 176.91 179.69 1lkj h SER 73 N 0.71 0.00 0.92 1.22 0.87 -0.96 0.51 113.55 116.82 1lkj h SER 73 Ca 0.13 0.00 -0.16 0.00 -1.23 0.00 0.00 61.79 60.53 1lkj h SER 73 Cb 0.56 0.00 -0.02 0.00 -0.44 0.00 0.00 62.40 62.50 1lkj h SER 73 CO 0.03 0.22 -0.77 0.03 -0.53 0.00 0.00 176.83 175.81 1lkj h ARG 74 N 0.00 0.00 0.00 2.24 3.08 -1.07 -2.41 114.38 116.22 1lkj h ARG 74 Ca -0.00 0.00 -0.24 0.00 0.07 0.00 0.00 59.98 59.81 1lkj h ARG 74 Cb 0.40 0.00 -0.04 0.00 0.08 0.00 0.00 29.97 30.41 1lkj h ARG 74 CO 0.03 0.77 -1.77 1.04 -1.07 0.00 0.00 179.97 178.96 1lkj n GLN 75 N -3.49 0.64 0.08 0.04 6.02 -0.86 -4.16 117.38 115.65 1lkj n GLN 75 Ca -0.00 0.16 -0.05 0.00 -0.01 0.00 0.00 57.00 57.10 1lkj n GLN 75 Cb 0.78 -1.72 -0.06 0.00 1.02 0.00 0.00 30.24 30.26 1lkj n GLN 75 CO 0.00 0.00 0.00 -0.07 -1.01 0.00 0.00 177.06 175.98 1lkj h LEU 76 N 0.00 0.00 0.00 1.08 3.38 -0.05 -3.46 115.31 116.26 1lkj h LEU 76 Ca -0.28 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.69 1lkj h LEU 76 Cb 1.83 0.00 0.00 0.00 0.09 0.00 0.00 40.66 42.58 1lkj h LEU 76 CO 0.05 0.88 0.00 0.29 0.09 0.00 0.00 178.44 179.75 1lkj n LYS 77 N -3.38 1.30 -3.94 1.13 5.02 -0.91 -4.65 118.16 112.74 1lkj n LYS 77 Ca 0.00 0.00 -0.29 0.00 -2.02 0.00 0.00 58.31 56.00 1lkj n LYS 77 Cb 0.87 0.00 0.01 0.00 -0.02 0.00 0.00 35.03 35.89 1lkj n LYS 77 CO 0.00 0.00 0.00 -1.13 -0.52 0.00 0.00 177.40 175.75 1lkj n SER 78 N -2.55 -3.02 -4.68 4.39 3.41 -1.26 -4.87 113.62 105.04 1lkj n SER 78 Ca 0.00 -0.87 -0.42 0.00 -0.26 0.00 0.00 58.87 57.31 1lkj n SER 78 Cb 0.00 -3.55 -0.03 0.00 -0.26 0.00 0.00 64.21 60.37 1lkj n SER 78 CO 0.00 0.00 0.00 0.20 -0.16 0.00 0.00 175.04 175.08 1lkj s ASN 79 N -3.70 6.88 0.00 4.04 0.01 -1.26 -4.99 114.94 115.91 1lkj s ASN 79 Ca 0.43 1.98 0.00 0.00 -0.71 0.00 0.00 52.86 54.57 1lkj s ASN 79 Cb -0.22 -2.55 0.00 0.00 0.41 0.00 0.00 41.25 38.89 1lkj s ASN 79 CO 0.86 -0.74 0.00 0.47 -1.51 0.00 0.00 177.10 176.18 1lkj n ASP 80 N 5.90 1.30 0.18 -1.22 8.00 -1.26 -4.99 116.55 124.45 1lkj n ASP 80 Ca 0.14 -0.36 0.13 0.00 0.71 0.00 0.00 54.79 55.41 1lkj n ASP 80 Cb 0.44 0.00 0.62 0.00 -0.02 0.00 0.00 41.12 42.16 1lkj n ASP 80 CO 0.00 0.00 0.00 0.28 -0.39 0.00 0.00 177.20 177.09 1lkj h SER 81 N 0.00 0.00 0.33 -2.24 0.02 -1.98 -3.16 113.55 106.52 1lkj h SER 81 Ca 0.00 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 60.95 1lkj h SER 81 Cb 0.00 0.00 -0.03 0.00 0.14 0.00 0.00 62.40 62.51 1lkj h SER 81 CO 0.00 0.00 -0.43 -0.08 -1.14 0.00 0.00 176.83 175.18 1lkj h GLU 82 N 0.00 -0.78 -0.24 3.45 4.57 -1.95 0.79 114.58 120.43 1lkj h GLU 82 Ca 0.00 0.05 -0.00 0.00 -1.18 0.00 0.00 59.36 58.23 1lkj h GLU 82 Cb 0.20 0.18 -0.01 0.00 -0.16 0.00 0.00 28.75 28.95 1lkj h GLU 82 CO 0.00 -0.52 0.13 1.96 -1.18 0.00 0.00 179.01 179.40 1lkj h GLN 83 N -0.81 0.32 -0.22 1.92 4.20 -1.96 -1.55 115.11 117.01 1lkj h GLN 83 Ca -0.02 -0.03 -0.10 0.00 0.06 0.00 0.00 58.65 58.56 1lkj h GLN 83 Cb 0.75 -0.07 -0.01 0.00 0.30 0.00 0.00 27.48 28.45 1lkj h GLN 83 CO -0.13 0.24 -0.29 0.93 -0.67 0.00 0.00 178.83 178.92 1lkj h GLU 84 N 0.33 0.43 -0.05 1.46 4.39 -1.41 -2.41 114.58 117.31 1lkj h GLU 84 Ca 0.09 -0.17 -0.01 0.00 0.34 0.00 0.00 59.36 59.60 1lkj h GLU 84 Cb 0.02 -0.02 -0.00 0.00 -0.10 0.00 0.00 28.75 28.64 1lkj h GLU 84 CO -0.01 0.68 -0.02 -0.07 -1.16 0.00 0.00 179.01 178.42 1lkj h LEU 85 N 0.38 0.12 -1.66 1.33 3.38 0.15 -2.28 115.31 116.72 1lkj h LEU 85 Ca 0.05 -0.41 0.00 0.00 0.09 0.00 0.00 57.88 57.62 1lkj h LEU 85 Cb 0.70 -0.03 -0.02 0.00 0.09 0.00 0.00 40.66 41.40 1lkj h LEU 85 CO 0.05 0.50 0.22 -0.07 0.09 0.00 0.00 178.44 179.24 1lkj h LEU 86 N -0.27 0.39 -0.08 1.67 3.38 -1.43 -0.87 115.31 118.10 1lkj h LEU 86 Ca 0.01 -0.01 -0.02 0.00 0.09 0.00 0.00 57.88 57.95 1lkj h LEU 86 Cb 0.45 -0.10 -0.00 0.00 0.09 0.00 0.00 40.66 41.10 1lkj h LEU 86 CO 0.01 0.29 -0.03 -0.33 0.09 0.00 0.00 178.44 178.46 1lkj h GLU 87 N 0.46 0.16 -0.42 1.13 5.08 -1.29 -0.89 114.58 118.81 1lkj h GLU 87 Ca 0.12 -0.07 -0.03 0.00 -1.00 0.00 0.00 59.36 58.39 1lkj h GLU 87 Cb -0.05 -0.01 -0.02 0.00 0.50 0.00 0.00 28.75 29.17 1lkj h GLU 87 CO -0.03 0.51 0.14 0.00 -1.00 0.00 0.00 179.01 178.64 1lkj h ALA 88 N 0.64 0.55 -0.83 3.43 0.00 -1.02 -2.45 119.26 119.58 1lkj h ALA 88 Ca 0.02 -0.16 -0.03 0.00 0.00 0.00 0.00 54.91 54.73 1lkj h ALA 88 Cb 0.46 -0.16 -0.04 0.00 0.00 0.00 0.00 17.79 18.05 1lkj h ALA 88 CO 0.01 0.18 0.40 0.74 0.00 0.00 0.00 179.25 180.58 1lkj h PHE 89 N 0.53 1.19 -0.63 0.00 0.04 -1.17 -2.26 116.94 114.64 1lkj h PHE 89 Ca 0.14 -0.06 -0.01 0.00 2.80 0.00 0.00 57.97 60.84 1lkj h PHE 89 Cb 0.24 -0.37 -0.03 0.00 2.20 0.00 0.00 35.95 37.99 1lkj h PHE 89 CO 0.01 0.86 0.37 0.87 -0.60 0.00 0.00 178.31 179.82 1lkj h LYS 90 N 1.18 0.86 -0.34 1.51 1.57 -0.90 0.17 116.57 120.61 1lkj h LYS 90 Ca 0.28 -0.08 -0.12 0.00 -1.87 0.00 0.00 60.65 58.86 1lkj h LYS 90 Cb 0.12 -0.18 -0.01 0.00 0.08 0.00 0.00 32.23 32.24 1lkj h LYS 90 CO -0.04 0.61 -0.29 0.28 -0.57 0.00 0.00 179.45 179.45 1lkj h VAL 91 N 0.87 1.28 0.00 0.50 2.07 -0.95 0.79 116.25 120.81 1lkj h VAL 91 Ca 0.23 -1.41 -0.17 0.00 0.82 0.00 0.00 66.70 66.17 1lkj h VAL 91 Cb -0.01 1.33 -0.02 0.00 -1.52 0.00 0.00 31.29 31.06 1lkj h VAL 91 CO -0.04 0.46 -0.79 -0.26 0.02 0.00 0.00 177.57 176.96 1lkj h PHE 92 N 0.61 0.00 0.03 1.57 -1.00 -0.92 -3.29 116.94 113.94 1lkj h PHE 92 Ca 0.07 0.00 -0.30 0.00 2.81 0.00 0.00 57.97 60.55 1lkj h PHE 92 Cb 0.80 0.00 -0.04 0.00 3.61 0.00 0.00 35.95 40.32 1lkj h PHE 92 CO 0.04 0.79 -1.72 0.22 -1.61 0.00 0.00 178.31 176.02 1lkj h ASP 93 N 0.00 0.10 0.00 2.17 1.82 -0.51 -3.49 116.42 116.51 1lkj h ASP 93 Ca -0.01 -0.22 0.00 0.00 -0.39 0.00 0.00 57.03 56.41 1lkj h ASP 93 Cb 1.50 -0.03 0.00 0.00 0.68 0.00 0.00 39.33 41.48 1lkj h ASP 93 CO 0.10 1.19 0.00 1.17 -1.61 0.00 0.00 179.24 180.10 1lkj n LYS 94 N -3.17 0.00 -1.55 0.28 3.00 0.27 -1.12 118.16 115.87 1lkj n LYS 94 Ca -0.19 0.00 -0.35 0.00 -0.00 0.00 0.00 58.31 57.77 1lkj n LYS 94 Cb 1.05 0.00 0.05 0.00 0.00 0.00 0.00 35.03 36.13 1lkj n LYS 94 CO 0.00 0.00 0.00 0.27 0.00 0.00 0.00 177.40 177.67 1lkj n ASN 95 N 5.82 7.50 -1.92 3.14 6.94 -1.26 -4.57 115.26 130.91 1lkj n ASN 95 Ca 0.00 -3.73 -0.17 0.00 -0.02 0.00 0.00 54.58 50.67 1lkj n ASN 95 Cb 0.00 -1.04 0.16 0.00 -2.36 0.00 0.00 39.78 36.54 1lkj n ASN 95 CO 0.00 0.00 0.00 0.61 -1.03 0.00 0.00 177.26 176.84 1lkj n GLY 96 N -0.58 3.83 2.23 4.83 0.00 -0.28 -4.86 105.19 110.36 1lkj n GLY 96 Ca 0.57 -0.84 -0.12 0.00 0.00 0.00 0.00 46.02 45.63 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 -0.67 -3.55 -2.10 1.61 9.92 -1.26 -1.06 116.55 119.44 1lkj n ASP 97 Ca 0.44 0.24 -0.08 0.00 -0.53 0.00 0.00 54.79 54.87 1lkj n ASP 97 Cb 1.38 -3.15 0.04 0.00 -0.64 0.00 0.00 41.12 38.75 1lkj n ASP 97 CO 0.00 0.00 0.00 0.61 0.13 0.00 0.00 177.20 177.94 1lkj n GLY 98 N -0.56 0.09 2.81 0.44 0.00 -1.26 -5.04 105.19 101.66 1lkj n GLY 98 Ca -0.13 -0.22 -0.16 0.00 0.00 0.00 0.00 46.02 45.51 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 -3.98 -0.24 0.25 0.99 1.43 -0.23 -3.83 118.68 113.07 1lkj s LEU 99 Ca 0.02 -0.05 0.10 0.00 -1.03 0.00 0.00 54.13 53.17 1lkj s LEU 99 Cb -0.01 0.58 -0.05 0.00 0.03 0.00 0.00 46.19 46.74 1lkj s LEU 99 CO 0.33 -0.31 -0.17 0.27 0.23 0.00 0.00 176.35 176.70 1lkj s ILE 100 N 2.38 2.17 0.63 -0.59 -4.36 -0.99 -4.84 121.20 115.60 1lkj s ILE 100 Ca 0.08 -2.32 -0.11 0.00 -0.26 0.00 0.00 60.65 58.03 1lkj s ILE 100 Cb -0.15 -2.21 -0.03 0.00 1.25 0.00 0.00 42.46 41.32 1lkj s ILE 100 CO -0.13 -0.47 1.04 -0.44 0.24 0.00 0.00 174.94 175.18 1lkj s SER 101 N -3.43 6.14 0.53 4.36 0.01 -1.26 -1.94 113.70 118.10 1lkj s SER 101 Ca 0.27 1.41 0.28 0.00 1.31 0.00 0.00 55.95 59.22 1lkj s SER 101 Cb -0.03 -2.43 1.42 0.00 0.21 0.00 0.00 66.02 65.19 1lkj s SER 101 CO 0.12 -0.93 1.92 0.00 0.41 0.00 0.00 173.24 174.76 1lkj h ALA 102 N -0.36 2.68 0.87 1.44 0.00 -1.96 -1.69 119.26 120.24 1lkj h ALA 102 Ca -0.44 -0.02 -0.04 0.00 0.00 0.00 0.00 54.91 54.40 1lkj h ALA 102 Cb 1.20 0.05 0.01 0.00 0.00 0.00 0.00 17.79 19.04 1lkj h ALA 102 CO 0.62 -0.91 -0.42 0.00 0.00 0.00 0.00 179.25 178.54 1lkj h ALA 103 N 1.62 -1.17 -0.10 0.00 0.00 -1.93 -0.61 119.26 117.07 1lkj h ALA 103 Ca 0.37 -0.26 0.03 0.00 0.00 0.00 0.00 54.91 55.05 1lkj h ALA 103 Cb 1.44 0.45 -0.00 0.00 0.00 0.00 0.00 17.79 19.68 1lkj h ALA 103 CO -0.02 -1.09 0.07 0.93 0.00 0.00 0.00 179.25 179.14 1lkj h GLU 104 N -1.29 0.00 -0.33 0.00 5.08 -1.77 -1.76 114.58 114.51 1lkj h GLU 104 Ca -0.12 0.00 -0.10 0.00 -1.00 0.00 0.00 59.36 58.14 1lkj h GLU 104 Cb 0.90 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 30.14 1lkj h GLU 104 CO 0.20 0.00 -0.17 1.25 -1.00 0.00 0.00 179.01 179.29 1lkj h LEU 105 N 0.00 0.72 -0.65 1.33 5.85 -1.04 -2.38 115.31 119.14 1lkj h LEU 105 Ca 0.05 -0.41 -0.07 0.00 0.84 0.00 0.00 57.88 58.29 1lkj h LEU 105 Cb 0.19 -0.20 -0.03 0.00 0.37 0.00 0.00 40.66 40.99 1lkj h LEU 105 CO -0.00 0.97 0.13 0.11 -0.34 0.00 0.00 178.44 179.32 1lkj h LYS 106 N 0.47 1.06 -0.29 1.25 1.79 -0.25 -1.87 116.57 118.71 1lkj h LYS 106 Ca 0.07 -0.27 -0.05 0.00 -2.18 0.00 0.00 60.65 58.23 1lkj h LYS 106 Cb 0.70 -0.13 -0.02 0.00 -1.58 0.00 0.00 32.23 31.21 1lkj h LYS 106 CO 0.05 0.96 -0.02 1.25 -1.08 0.00 0.00 179.45 180.61 1lkj h HIS 107 N 0.98 0.46 -0.01 -1.35 2.76 -1.36 -1.48 115.15 115.15 1lkj h HIS 107 Ca 0.20 -0.04 -0.01 0.00 -2.20 0.00 0.00 60.37 58.32 1lkj h HIS 107 Cb 0.40 -0.14 0.00 0.00 1.55 0.00 0.00 27.41 29.22 1lkj h HIS 107 CO 0.03 0.47 -0.03 0.28 -1.30 0.00 0.00 177.93 177.39 1lkj h VAL 108 N 0.43 1.47 -0.75 5.26 2.07 -1.04 -1.16 116.25 122.53 1lkj h VAL 108 Ca 0.09 -1.42 0.01 0.00 0.82 0.00 0.00 66.70 66.20 1lkj h VAL 108 Cb 0.31 2.40 -0.04 0.00 -1.52 0.00 0.00 31.29 32.45 1lkj h VAL 108 CO 0.01 0.37 0.50 -0.07 0.02 0.00 0.00 177.57 178.40 1lkj h LEU 109 N -0.55 0.87 -0.18 2.57 4.07 -1.22 -0.91 115.31 119.97 1lkj h LEU 109 Ca -0.00 -0.02 -0.15 0.00 0.08 0.00 0.00 57.88 57.79 1lkj h LEU 109 Cb 0.62 -0.22 0.00 0.00 1.08 0.00 0.00 40.66 42.15 1lkj h LEU 109 CO 0.01 0.63 -0.46 0.74 -1.08 0.00 0.00 178.44 178.27 1lkj h THR 110 N 1.02 1.33 -0.48 0.22 2.02 -1.28 -2.90 112.91 112.84 1lkj h THR 110 Ca 0.28 -1.70 -0.01 0.00 0.77 0.00 0.00 66.41 65.74 1lkj h THR 110 Cb -0.12 1.94 -0.02 0.00 -1.74 0.00 0.00 68.15 68.21 1lkj h THR 110 CO -0.06 0.53 0.24 -1.28 0.37 0.00 0.00 175.52 175.32 1lkj h SER 111 N 0.29 0.62 0.20 4.18 0.87 -0.80 -1.81 113.55 117.10 1lkj h SER 111 Ca -0.01 -0.11 -0.01 0.00 -1.23 0.00 0.00 61.79 60.43 1lkj h SER 111 Cb 1.07 -0.16 -0.00 0.00 -0.44 0.00 0.00 62.40 62.87 1lkj h SER 111 CO 0.10 0.56 -0.04 0.40 -0.53 0.00 0.00 176.83 177.31 1lkj h ILE 112 N 0.63 0.40 -1.96 2.23 2.04 -1.20 -3.46 117.51 116.20 1lkj h ILE 112 Ca 0.17 -0.23 -0.17 0.00 1.00 0.00 0.00 64.86 65.62 1lkj h ILE 112 Cb 0.09 1.16 0.02 0.00 -0.74 0.00 0.00 36.82 37.35 1lkj h ILE 112 CO -0.02 0.04 -0.25 0.61 0.00 0.00 0.00 178.15 178.53 1lkj n GLY 113 N -0.95 0.13 3.56 5.37 0.00 -0.68 -4.98 105.19 107.63 1lkj n GLY 113 Ca -0.02 -0.42 -0.31 0.00 0.00 0.00 0.00 46.02 45.26 1lkj n GLY 113 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 1lkj n GLU 114 N -2.07 -0.69 -1.48 1.61 -0.58 -1.20 -4.83 120.64 111.40 1lkj n GLU 114 Ca -0.06 -0.15 -0.33 0.00 -0.42 0.00 0.00 57.16 56.19 1lkj n GLU 114 Cb 0.56 -2.19 -0.05 0.00 -0.57 0.00 0.00 31.44 29.19 1lkj n GLU 114 CO 0.00 0.00 0.00 1.17 -0.48 0.00 0.00 177.13 177.82 1lkj n LYS 115 N -3.56 3.55 -4.38 3.49 4.81 -1.26 -4.89 118.16 115.93 1lkj n LYS 115 Ca 0.09 -2.39 -0.19 0.00 -0.87 0.00 0.00 58.31 54.95 1lkj n LYS 115 Cb 0.53 -2.55 -0.10 0.00 0.02 0.00 0.00 35.03 32.93 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 -0.79 2.11 0.00 3.14 1.43 -1.26 -5.15 118.68 118.16 1lkj s LEU 116 Ca 0.64 -1.30 0.00 0.00 -1.03 0.00 0.00 54.13 52.43 1lkj s LEU 116 Cb 0.23 -0.29 0.00 0.00 0.03 0.00 0.00 46.19 46.16 1lkj s LEU 116 CO -0.08 -0.57 0.00 0.35 0.23 0.00 0.00 176.35 176.28 1lkj n THR 117 N -0.54 0.00 0.08 5.49 -2.24 -1.26 -5.02 114.28 110.79 1lkj n THR 117 Ca -0.03 0.00 -0.07 0.00 -2.27 0.00 0.00 64.05 61.67 1lkj n THR 117 Cb 0.65 0.00 0.05 0.00 -2.10 0.00 0.00 70.33 68.93 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 0.00 0.30 -0.27 3.42 1.82 -2.02 -2.69 116.42 116.98 1lkj h ASP 118 Ca 0.00 -0.20 -0.13 0.00 -0.39 0.00 0.00 57.03 56.31 1lkj h ASP 118 Cb 0.00 -0.09 -0.01 0.00 0.68 0.00 0.00 39.33 39.91 1lkj h ASP 118 CO 0.00 0.93 -0.30 0.00 -1.61 0.00 0.00 179.24 178.26 1lkj h ALA 119 N 1.06 0.79 -0.15 -0.78 0.00 -1.99 -1.95 119.26 116.23 1lkj h ALA 119 Ca -0.03 -0.41 -0.06 0.00 0.00 0.00 0.00 54.91 54.41 1lkj h ALA 119 Cb 1.31 -0.14 -0.00 0.00 0.00 0.00 0.00 17.79 18.96 1lkj h ALA 119 CO 0.12 0.65 -0.14 0.93 0.00 0.00 0.00 179.25 180.81 1lkj h GLU 120 N 0.66 0.36 0.00 0.00 4.39 -1.95 -2.45 114.58 115.60 1lkj h GLU 120 Ca 0.08 -0.19 -0.03 0.00 0.34 0.00 0.00 59.36 59.56 1lkj h GLU 120 Cb 0.84 0.00 -0.00 0.00 -0.10 0.00 0.00 28.75 29.49 1lkj h GLU 120 CO 0.07 0.74 -0.12 0.28 -1.16 0.00 0.00 179.01 178.82 1lkj h VAL 121 N -0.00 0.69 -0.01 3.13 2.07 -1.46 -0.68 116.25 119.98 1lkj h VAL 121 Ca 0.03 -0.50 -0.02 0.00 0.82 0.00 0.00 66.70 67.03 1lkj h VAL 121 Cb 0.67 1.30 0.00 0.00 -1.52 0.00 0.00 31.29 31.74 1lkj h VAL 121 CO 0.04 0.12 -0.06 0.44 0.02 0.00 0.00 177.57 178.13 1lkj h ASP 122 N 0.00 0.07 0.21 0.57 3.32 -1.16 -2.00 116.42 117.42 1lkj h ASP 122 Ca -0.00 -0.66 -0.10 0.00 0.02 0.00 0.00 57.03 56.29 1lkj h ASP 122 Cb 0.29 -0.02 -0.01 0.00 0.22 0.00 0.00 39.33 39.81 1lkj h ASP 122 CO 0.02 0.72 -0.36 0.44 -1.72 0.00 0.00 179.24 178.34 1lkj h ASP 123 N -0.58 0.23 0.71 6.45 5.19 -1.21 -2.58 116.42 124.62 1lkj h ASP 123 Ca -0.00 -0.09 -0.12 0.00 -0.62 0.00 0.00 57.03 56.20 1lkj h ASP 123 Cb 0.72 -0.06 -0.02 0.00 0.18 0.00 0.00 39.33 40.15 1lkj h ASP 123 CO 0.01 0.58 -0.56 -0.03 -3.12 0.00 0.00 179.24 176.12 1lkj h MET 124 N 0.19 0.00 -0.07 3.56 4.05 -1.16 -2.84 114.93 118.67 1lkj h MET 124 Ca 0.02 0.00 -0.23 0.00 -0.28 0.00 0.00 59.70 59.21 1lkj h MET 124 Cb 0.73 0.00 0.01 0.00 -0.80 0.00 0.00 31.60 31.54 1lkj h MET 124 CO 0.06 0.56 -0.88 -0.07 0.23 0.00 0.00 176.91 176.81 1lkj h LEU 125 N 0.00 0.79 -1.21 3.39 3.38 -1.00 -2.68 115.31 117.97 1lkj h LEU 125 Ca -0.01 -0.57 -0.07 0.00 0.09 0.00 0.00 57.88 57.32 1lkj h LEU 125 Cb 1.07 -0.24 -0.01 0.00 0.09 0.00 0.00 40.66 41.57 1lkj h LEU 125 CO 0.07 1.36 -0.36 0.03 0.09 0.00 0.00 178.44 179.64 1lkj h ARG 126 N 0.40 0.00 0.00 1.13 3.08 -1.42 0.76 114.38 118.33 1lkj h ARG 126 Ca -0.08 0.00 -0.14 0.00 0.07 0.00 0.00 59.98 59.84 1lkj h ARG 126 Cb 1.50 0.00 -0.02 0.00 0.08 0.00 0.00 29.97 31.53 1lkj h ARG 126 CO 0.17 0.36 -0.67 1.49 -1.07 0.00 0.00 179.97 180.25 1lkj h GLU 127 N 0.00 0.00 0.00 0.04 4.22 -1.46 -3.33 114.58 114.05 1lkj h GLU 127 Ca -0.00 0.00 -0.36 0.00 0.08 0.00 0.00 59.36 59.07 1lkj h GLU 127 Cb 0.73 0.00 -0.07 0.00 0.50 0.00 0.00 28.75 29.91 1lkj h GLU 127 CO 0.05 0.65 -2.33 0.28 -2.18 0.00 0.00 179.01 175.48 1lkj n VAL 128 N -3.26 1.42 -1.95 0.32 0.31 -1.02 -4.94 118.33 109.22 1lkj n VAL 128 Ca 0.01 -0.83 -0.40 0.00 -0.01 0.00 0.00 64.34 63.11 1lkj n VAL 128 Cb 0.80 -0.59 -0.01 0.00 -0.91 0.00 0.00 33.84 33.13 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 -5.63 6.40 0.00 4.52 0.15 0.26 -4.80 113.70 114.60 1lkj s SER 129 Ca -0.11 2.84 0.00 0.00 0.70 0.00 0.00 55.95 59.38 1lkj s SER 129 Cb 0.06 -2.65 0.00 0.00 -1.71 0.00 0.00 66.02 61.72 1lkj s SER 129 CO 0.81 -0.81 0.00 -0.67 1.20 0.00 0.00 173.24 173.77 1lkj n ASP 130 N 0.40 0.00 0.00 5.45 2.03 -1.26 -4.90 116.55 118.27 1lkj n ASP 130 Ca 0.02 0.00 0.00 0.00 0.52 0.00 0.00 54.79 55.33 1lkj n ASP 130 Cb 0.41 0.15 0.00 0.00 -0.72 0.00 0.00 41.12 40.96 1lkj n ASP 130 CO 0.00 0.00 0.00 0.61 -1.92 0.00 0.00 177.20 175.89 1lkj n GLY 131 N -1.38 0.38 1.83 0.27 0.00 -1.26 -5.04 105.19 99.99 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 -0.43 0.00 -1.83 1.61 7.64 -1.26 -5.00 113.62 114.35 1lkj n SER 132 Ca 0.00 0.00 0.02 0.00 1.01 0.00 0.00 58.87 59.90 1lkj n SER 132 Cb 0.00 0.34 0.02 0.00 -1.01 0.00 0.00 64.21 63.56 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 -0.70 1.19 2.99 0.23 0.00 -1.26 -5.07 105.19 102.57 1lkj n GLY 133 Ca 0.00 -0.82 -0.23 0.00 0.00 0.00 0.00 46.02 44.96 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 -0.95 1.46 0.01 1.61 2.02 -1.26 -4.01 118.70 117.58 1lkj s GLU 134 Ca 0.29 -0.34 0.03 0.00 0.02 0.00 0.00 54.97 54.97 1lkj s GLU 134 Cb 0.35 -1.25 -0.01 0.00 0.10 0.00 0.00 34.13 33.32 1lkj s GLU 134 CO -0.12 0.01 -0.08 0.42 0.02 0.00 0.00 175.26 175.50 1lkj s ILE 135 N 0.69 0.65 0.37 -1.63 1.01 -0.82 -4.74 121.20 116.74 1lkj s ILE 135 Ca -0.13 -0.60 -0.20 0.00 0.00 0.00 0.00 60.65 59.72 1lkj s ILE 135 Cb -0.15 -0.60 -0.10 0.00 0.01 0.00 0.00 42.46 41.62 1lkj s ILE 135 CO 0.03 0.01 0.87 0.21 0.00 0.00 0.00 174.94 176.06 1lkj s ASN 136 N -0.66 6.93 0.39 3.58 3.84 -1.26 -2.35 114.94 125.42 1lkj s ASN 136 Ca -0.00 1.56 0.21 0.00 0.21 0.00 0.00 52.86 54.83 1lkj s ASN 136 Cb -0.05 -2.48 0.26 0.00 -0.55 0.00 0.00 41.25 38.42 1lkj s ASN 136 CO 0.00 -0.26 1.56 0.16 -2.79 0.00 0.00 177.10 175.77 1lkj h ILE 137 N 2.04 0.26 0.46 -5.21 3.07 -1.96 -3.27 117.51 112.90 1lkj h ILE 137 Ca -0.48 -1.37 -0.02 0.00 1.55 0.00 0.00 64.86 64.54 1lkj h ILE 137 Cb 1.18 2.13 0.00 0.00 -0.27 0.00 0.00 36.82 39.86 1lkj h ILE 137 CO 0.63 0.15 -0.25 1.56 -1.05 0.00 0.00 178.15 179.19 1lkj h GLN 138 N 0.00 -0.63 -0.57 0.16 7.50 -1.93 0.69 115.11 120.32 1lkj h GLN 138 Ca -0.00 0.04 -0.02 0.00 0.50 0.00 0.00 58.65 59.17 1lkj h GLN 138 Cb 1.12 0.14 -0.03 0.00 0.05 0.00 0.00 27.48 28.76 1lkj h GLN 138 CO 0.02 -0.42 0.29 1.96 -1.50 0.00 0.00 178.83 179.18 1lkj h GLN 139 N -0.65 0.82 -0.32 1.46 1.08 -1.99 -1.36 115.11 114.14 1lkj h GLN 139 Ca -0.06 -0.11 -0.04 0.00 -1.45 0.00 0.00 58.65 56.99 1lkj h GLN 139 Cb 0.52 -0.15 -0.01 0.00 -0.05 0.00 0.00 27.48 27.78 1lkj h GLN 139 CO 0.08 0.66 0.03 0.74 -0.95 0.00 0.00 178.83 179.39 1lkj h PHE 140 N 0.78 0.58 -0.29 2.96 0.04 -1.56 -0.60 116.94 118.84 1lkj h PHE 140 Ca 0.20 -0.09 -0.01 0.00 2.80 0.00 0.00 57.97 60.87 1lkj h PHE 140 Cb 0.10 -0.16 -0.02 0.00 2.20 0.00 0.00 35.95 38.07 1lkj h PHE 140 CO -0.01 0.64 0.14 0.00 -0.60 0.00 0.00 178.31 178.48 1lkj h ALA 141 N 0.87 1.71 0.00 2.45 0.00 0.60 -1.73 119.26 123.16 1lkj h ALA 141 Ca 0.09 -0.06 -0.16 0.00 0.00 0.00 0.00 54.91 54.79 1lkj h ALA 141 Cb 0.38 -0.12 -0.02 0.00 0.00 0.00 0.00 17.79 18.03 1lkj h ALA 141 CO 0.01 0.25 -0.75 0.00 0.00 0.00 0.00 179.25 178.76 1lkj h ALA 142 N 1.76 0.52 -0.11 0.00 0.00 -0.94 -3.19 119.26 117.29 1lkj h ALA 142 Ca 0.10 -0.68 -0.13 0.00 0.00 0.00 0.00 54.91 54.21 1lkj h ALA 142 Cb 0.04 -0.12 -0.01 0.00 0.00 0.00 0.00 17.79 17.70 1lkj h ALA 142 CO -0.02 0.93 -0.49 -0.07 0.00 0.00 0.00 179.25 179.61 1lkj h LEU 143 N 0.00 0.31 0.03 0.00 3.38 -0.22 -3.34 115.31 115.46 1lkj h LEU 143 Ca -0.01 -0.15 -0.00 0.00 0.09 0.00 0.00 57.88 57.81 1lkj h LEU 143 Cb 1.57 -0.09 0.00 0.00 0.09 0.00 0.00 40.66 42.24 1lkj h LEU 143 CO 0.10 0.75 -0.01 -0.07 0.09 0.00 0.00 178.44 179.30 1lkj h LEU 144 N 0.23 -0.03 0.00 1.67 3.38 -1.48 -3.49 115.31 115.59 1lkj h LEU 144 Ca 0.01 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.98 1lkj h LEU 144 Cb 0.95 0.01 0.00 0.00 0.09 0.00 0.00 40.66 41.71 1lkj h LEU 144 CO 0.08 0.00 0.00 -0.24 0.09 0.00 0.00 178.44 178.37 1lkj n SER 145 N -2.23 -3.02 0.00 -0.43 2.88 -1.21 -5.14 113.62 104.48 1lkj n SER 145 Ca -0.00 0.00 0.00 0.00 -1.33 0.00 0.00 58.87 57.54 1lkj n SER 145 Cb 0.01 0.00 0.00 0.00 -0.75 0.00 0.00 64.21 63.47 1lkj n SER 145 CO 0.00 0.00 0.00 0.29 -1.23 0.00 0.00 175.04 174.10